USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=15 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 73 CYS H : A 73 CYS N : A 176 RCY C1X :(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 RCYH1ZA : A 130 RCY C1Z : A 32 GLN CD :(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 H1Z : A 130 RCY C1Z : A 32 GLN NE2 :(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 RCYH1ZA : A 160 RCY C1Z : A 168 RCY O1G :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZB : A 168 RCY C1Z : A 173 RCY C1X :(H bumps) USER MOD NoAdj-H: A 168 RCYH1ZA : A 168 RCY C1Z : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCYH1YA : A 168 RCY C1Y : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1Z : A 168 RCY C1Z : A 173 RCY C1W :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 70 TRP CZ3 :(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 168 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZB : A 176 RCY C1Z : A 71 GLU CB :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 70 TRP CA :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 73 CYS CA :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 71 GLU N :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 70 TRP CA :(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+ -113:sc= -0.0911! (180deg=-1.53!) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.752! C(o=-1.9!,f=-0.75!) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0418 (180deg=-0.639) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00868 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= -3.89! (180deg=-4.11!) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.486) USER MOD Single : A 32 GLN : amide:sc= -23.1! C(o=-23!,f=-23!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.238 USER MOD Single : A 37 GLN :FLIP amide:sc= -6.48! C(o=-9.2!,f=-6.5!) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00572) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 65 THR OG1 : rot -64:sc= 1.16 USER MOD Single : A 74 ASN : amide:sc= -0.438 K(o=-0.44,f=-0.94) USER MOD Single : A 75 HIS : no HD1:sc= -7.57! C(o=-7.6!,f=-8.9!) USER MOD Single : A 79 HIS : no HD1:sc= -2.97! C(o=-3!,f=-2.7!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 74.912 -18.757 4.835 1.00 1.00 N ATOM 2 CA MET A 1 75.287 -20.194 4.956 1.00 1.00 C ATOM 3 C MET A 1 75.099 -20.884 3.603 1.00 1.00 C ATOM 4 O MET A 1 75.251 -20.280 2.560 1.00 1.00 O ATOM 5 CB MET A 1 74.395 -20.870 6.001 1.00 1.00 C ATOM 6 CG MET A 1 74.355 -20.015 7.269 1.00 1.00 C ATOM 7 SD MET A 1 73.264 -18.595 7.006 1.00 1.00 S ATOM 8 CE MET A 1 71.719 -19.403 7.488 1.00 1.00 C ATOM 0 H1 MET A 1 75.759 -18.166 4.955 1.00 1.00 H new ATOM 0 H2 MET A 1 74.499 -18.584 3.896 1.00 1.00 H new ATOM 0 H3 MET A 1 74.216 -18.517 5.569 1.00 1.00 H new ATOM 0 HA MET A 1 76.330 -20.272 5.264 1.00 1.00 H new ATOM 0 HB2 MET A 1 73.388 -21.000 5.605 1.00 1.00 H new ATOM 0 HB3 MET A 1 74.777 -21.864 6.232 1.00 1.00 H new ATOM 0 HG2 MET A 1 73.999 -20.610 8.110 1.00 1.00 H new ATOM 0 HG3 MET A 1 75.359 -19.674 7.522 1.00 1.00 H new ATOM 0 HE1 MET A 1 70.895 -18.695 7.400 1.00 1.00 H new ATOM 0 HE2 MET A 1 71.536 -20.256 6.835 1.00 1.00 H new ATOM 0 HE3 MET A 1 71.794 -19.745 8.520 1.00 1.00 H new ATOM 17 N ASN A 2 74.768 -22.146 3.613 1.00 1.00 N ATOM 18 CA ASN A 2 74.569 -22.876 2.328 1.00 1.00 C ATOM 19 C ASN A 2 73.449 -22.199 1.529 1.00 1.00 C ATOM 20 O ASN A 2 73.046 -21.091 1.824 1.00 1.00 O ATOM 21 CB ASN A 2 74.197 -24.340 2.620 1.00 1.00 C ATOM 22 CG ASN A 2 73.781 -24.478 4.086 1.00 1.00 C ATOM 23 OD1 ASN A 2 72.879 -23.672 4.574 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 74.283 -25.328 4.794 1.00 1.00 N flip ATOM 0 H ASN A 2 74.627 -22.704 4.455 1.00 1.00 H new ATOM 0 HA ASN A 2 75.490 -22.853 1.746 1.00 1.00 H new ATOM 0 HB2 ASN A 2 73.382 -24.656 1.968 1.00 1.00 H new ATOM 0 HB3 ASN A 2 75.045 -24.991 2.409 1.00 1.00 H new ATOM 0 HD21 ASN A 2 74.988 -25.958 4.412 1.00 1.00 H new ATOM 0 HD22 ASN A 2 73.999 -25.411 5.770 1.00 1.00 H new ATOM 31 N LEU A 3 72.948 -22.855 0.516 1.00 1.00 N ATOM 32 CA LEU A 3 71.859 -22.252 -0.307 1.00 1.00 C ATOM 33 C LEU A 3 70.806 -21.620 0.607 1.00 1.00 C ATOM 34 O LEU A 3 70.238 -22.272 1.460 1.00 1.00 O ATOM 35 CB LEU A 3 71.201 -23.346 -1.158 1.00 1.00 C ATOM 36 CG LEU A 3 72.071 -23.640 -2.382 1.00 1.00 C ATOM 37 CD1 LEU A 3 71.830 -25.078 -2.846 1.00 1.00 C ATOM 38 CD2 LEU A 3 71.705 -22.673 -3.510 1.00 1.00 C ATOM 0 H LEU A 3 73.247 -23.785 0.222 1.00 1.00 H new ATOM 0 HA LEU A 3 72.281 -21.484 -0.955 1.00 1.00 H new ATOM 0 HB2 LEU A 3 71.071 -24.252 -0.566 1.00 1.00 H new ATOM 0 HB3 LEU A 3 70.208 -23.027 -1.474 1.00 1.00 H new ATOM 0 HG LEU A 3 73.122 -23.514 -2.120 1.00 1.00 H new ATOM 0 HD11 LEU A 3 72.450 -25.288 -3.718 1.00 1.00 H new ATOM 0 HD12 LEU A 3 72.089 -25.768 -2.043 1.00 1.00 H new ATOM 0 HD13 LEU A 3 70.780 -25.204 -3.108 1.00 1.00 H new ATOM 0 HD21 LEU A 3 72.324 -22.881 -4.383 1.00 1.00 H new ATOM 0 HD22 LEU A 3 70.654 -22.800 -3.772 1.00 1.00 H new ATOM 0 HD23 LEU A 3 71.876 -21.648 -3.180 1.00 1.00 H new ATOM 50 N GLU A 4 70.536 -20.354 0.427 1.00 1.00 N ATOM 51 CA GLU A 4 69.513 -19.674 1.275 1.00 1.00 C ATOM 52 C GLU A 4 68.198 -19.586 0.492 1.00 1.00 C ATOM 53 O GLU A 4 68.199 -19.555 -0.723 1.00 1.00 O ATOM 54 CB GLU A 4 69.999 -18.262 1.623 1.00 1.00 C ATOM 55 CG GLU A 4 70.746 -17.669 0.426 1.00 1.00 C ATOM 56 CD GLU A 4 72.156 -18.259 0.361 1.00 1.00 C ATOM 57 OE1 GLU A 4 72.900 -18.071 1.310 1.00 1.00 O ATOM 58 OE2 GLU A 4 72.468 -18.888 -0.636 1.00 1.00 O ATOM 0 H GLU A 4 70.981 -19.760 -0.273 1.00 1.00 H new ATOM 0 HA GLU A 4 69.357 -20.238 2.194 1.00 1.00 H new ATOM 0 HB2 GLU A 4 69.152 -17.629 1.886 1.00 1.00 H new ATOM 0 HB3 GLU A 4 70.654 -18.296 2.493 1.00 1.00 H new ATOM 0 HG2 GLU A 4 70.207 -17.886 -0.496 1.00 1.00 H new ATOM 0 HG3 GLU A 4 70.798 -16.584 0.517 1.00 1.00 H new ATOM 65 N PRO A 5 67.083 -19.546 1.176 1.00 1.00 N ATOM 66 CA PRO A 5 65.749 -19.460 0.524 1.00 1.00 C ATOM 67 C PRO A 5 65.766 -18.539 -0.706 1.00 1.00 C ATOM 68 O PRO A 5 66.511 -17.580 -0.755 1.00 1.00 O ATOM 69 CB PRO A 5 64.861 -18.880 1.624 1.00 1.00 C ATOM 70 CG PRO A 5 65.471 -19.350 2.905 1.00 1.00 C ATOM 71 CD PRO A 5 66.966 -19.573 2.643 1.00 1.00 C ATOM 0 HA PRO A 5 65.407 -20.425 0.149 1.00 1.00 H new ATOM 0 HB2 PRO A 5 64.834 -17.791 1.576 1.00 1.00 H new ATOM 0 HB3 PRO A 5 63.833 -19.229 1.526 1.00 1.00 H new ATOM 0 HG2 PRO A 5 65.325 -18.612 3.694 1.00 1.00 H new ATOM 0 HG3 PRO A 5 64.998 -20.273 3.240 1.00 1.00 H new ATOM 0 HD2 PRO A 5 67.572 -18.794 3.105 1.00 1.00 H new ATOM 0 HD3 PRO A 5 67.304 -20.525 3.052 1.00 1.00 H new ATOM 79 N PRO A 6 64.953 -18.827 -1.691 1.00 1.00 N ATOM 80 CA PRO A 6 64.879 -18.007 -2.938 1.00 1.00 C ATOM 81 C PRO A 6 64.220 -16.644 -2.694 1.00 1.00 C ATOM 82 O PRO A 6 63.186 -16.549 -2.064 1.00 1.00 O ATOM 83 CB PRO A 6 64.024 -18.858 -3.882 1.00 1.00 C ATOM 84 CG PRO A 6 63.184 -19.707 -2.986 1.00 1.00 C ATOM 85 CD PRO A 6 64.014 -19.960 -1.725 1.00 1.00 C ATOM 0 HA PRO A 6 65.868 -17.780 -3.336 1.00 1.00 H new ATOM 0 HB2 PRO A 6 63.406 -18.232 -4.526 1.00 1.00 H new ATOM 0 HB3 PRO A 6 64.647 -19.470 -4.535 1.00 1.00 H new ATOM 0 HG2 PRO A 6 62.248 -19.205 -2.740 1.00 1.00 H new ATOM 0 HG3 PRO A 6 62.923 -20.646 -3.474 1.00 1.00 H new ATOM 0 HD2 PRO A 6 63.388 -19.988 -0.833 1.00 1.00 H new ATOM 0 HD3 PRO A 6 64.539 -20.914 -1.776 1.00 1.00 H new ATOM 93 N LYS A 7 64.812 -15.589 -3.186 1.00 1.00 N ATOM 94 CA LYS A 7 64.216 -14.239 -2.977 1.00 1.00 C ATOM 95 C LYS A 7 62.851 -14.172 -3.658 1.00 1.00 C ATOM 96 O LYS A 7 61.867 -13.777 -3.064 1.00 1.00 O ATOM 97 CB LYS A 7 65.142 -13.165 -3.561 1.00 1.00 C ATOM 98 CG LYS A 7 65.529 -13.542 -4.992 1.00 1.00 C ATOM 99 CD LYS A 7 66.642 -12.613 -5.482 1.00 1.00 C ATOM 100 CE LYS A 7 67.249 -13.177 -6.769 1.00 1.00 C ATOM 101 NZ LYS A 7 66.158 -13.670 -7.657 1.00 1.00 N ATOM 0 H LYS A 7 65.680 -15.604 -3.722 1.00 1.00 H new ATOM 0 HA LYS A 7 64.095 -14.060 -1.909 1.00 1.00 H new ATOM 0 HB2 LYS A 7 64.642 -12.196 -3.552 1.00 1.00 H new ATOM 0 HB3 LYS A 7 66.036 -13.068 -2.945 1.00 1.00 H new ATOM 0 HG2 LYS A 7 65.864 -14.579 -5.028 1.00 1.00 H new ATOM 0 HG3 LYS A 7 64.661 -13.464 -5.647 1.00 1.00 H new ATOM 0 HD2 LYS A 7 66.244 -11.615 -5.662 1.00 1.00 H new ATOM 0 HD3 LYS A 7 67.412 -12.515 -4.717 1.00 1.00 H new ATOM 0 HE2 LYS A 7 67.828 -12.407 -7.279 1.00 1.00 H new ATOM 0 HE3 LYS A 7 67.937 -13.989 -6.534 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 66.508 -13.735 -8.634 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 65.848 -14.610 -7.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 65.355 -13.010 -7.620 1.00 1.00 H new ATOM 115 N ALA A 8 62.787 -14.560 -4.897 1.00 1.00 N ATOM 116 CA ALA A 8 61.491 -14.530 -5.636 1.00 1.00 C ATOM 117 C ALA A 8 60.733 -13.239 -5.309 1.00 1.00 C ATOM 118 O ALA A 8 59.985 -13.173 -4.353 1.00 1.00 O ATOM 119 CB ALA A 8 60.644 -15.736 -5.223 1.00 1.00 C ATOM 0 H ALA A 8 63.582 -14.900 -5.438 1.00 1.00 H new ATOM 0 HA ALA A 8 61.688 -14.568 -6.707 1.00 1.00 H new ATOM 0 HB1 ALA A 8 59.696 -15.717 -5.761 1.00 1.00 H new ATOM 0 HB2 ALA A 8 61.179 -16.655 -5.462 1.00 1.00 H new ATOM 0 HB3 ALA A 8 60.453 -15.696 -4.151 1.00 1.00 H new ATOM 125 N GLU A 9 60.918 -12.213 -6.096 1.00 1.00 N ATOM 126 CA GLU A 9 60.205 -10.930 -5.829 1.00 1.00 C ATOM 127 C GLU A 9 58.722 -11.213 -5.575 1.00 1.00 C ATOM 128 O GLU A 9 58.261 -12.328 -5.717 1.00 1.00 O ATOM 129 CB GLU A 9 60.349 -10.007 -7.042 1.00 1.00 C ATOM 130 CG GLU A 9 61.818 -9.946 -7.465 1.00 1.00 C ATOM 131 CD GLU A 9 62.007 -8.827 -8.492 1.00 1.00 C ATOM 132 OE1 GLU A 9 61.703 -7.692 -8.165 1.00 1.00 O ATOM 133 OE2 GLU A 9 62.454 -9.125 -9.588 1.00 1.00 O ATOM 0 H GLU A 9 61.531 -12.208 -6.911 1.00 1.00 H new ATOM 0 HA GLU A 9 60.637 -10.449 -4.952 1.00 1.00 H new ATOM 0 HB2 GLU A 9 59.737 -10.374 -7.866 1.00 1.00 H new ATOM 0 HB3 GLU A 9 59.988 -9.008 -6.797 1.00 1.00 H new ATOM 0 HG2 GLU A 9 62.451 -9.767 -6.596 1.00 1.00 H new ATOM 0 HG3 GLU A 9 62.125 -10.901 -7.891 1.00 1.00 H new ATOM 140 N CYS A 10 57.969 -10.214 -5.197 1.00 1.00 N ATOM 141 CA CYS A 10 56.518 -10.433 -4.932 1.00 1.00 C ATOM 142 C CYS A 10 55.743 -9.145 -5.221 1.00 1.00 C ATOM 143 O CYS A 10 55.102 -9.014 -6.245 1.00 1.00 O ATOM 144 CB CYS A 10 56.323 -10.831 -3.467 1.00 1.00 C ATOM 145 SG CYS A 10 57.526 -12.109 -3.024 1.00 1.00 S ATOM 0 H CYS A 10 58.296 -9.257 -5.061 1.00 1.00 H new ATOM 0 HA CYS A 10 56.147 -11.229 -5.578 1.00 1.00 H new ATOM 0 HB2 CYS A 10 56.447 -9.961 -2.823 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.310 -11.201 -3.311 1.00 1.00 H new ATOM 150 N ARG A 11 55.794 -8.193 -4.325 1.00 1.00 N ATOM 151 CA ARG A 11 55.057 -6.910 -4.543 1.00 1.00 C ATOM 152 C ARG A 11 56.047 -5.744 -4.529 1.00 1.00 C ATOM 153 O ARG A 11 55.826 -4.738 -3.884 1.00 1.00 O ATOM 154 CB ARG A 11 54.026 -6.716 -3.426 1.00 1.00 C ATOM 155 CG ARG A 11 52.910 -7.753 -3.572 1.00 1.00 C ATOM 156 CD ARG A 11 51.668 -7.277 -2.816 1.00 1.00 C ATOM 157 NE ARG A 11 52.043 -6.920 -1.419 1.00 1.00 N ATOM 158 CZ ARG A 11 51.285 -6.115 -0.725 1.00 1.00 C ATOM 159 NH1 ARG A 11 50.199 -5.624 -1.255 1.00 1.00 N ATOM 160 NH2 ARG A 11 51.614 -5.803 0.498 1.00 1.00 N ATOM 0 H ARG A 11 56.315 -8.248 -3.450 1.00 1.00 H new ATOM 0 HA ARG A 11 54.548 -6.944 -5.506 1.00 1.00 H new ATOM 0 HB2 ARG A 11 54.506 -6.818 -2.453 1.00 1.00 H new ATOM 0 HB3 ARG A 11 53.610 -5.710 -3.472 1.00 1.00 H new ATOM 0 HG2 ARG A 11 52.673 -7.901 -4.625 1.00 1.00 H new ATOM 0 HG3 ARG A 11 53.240 -8.715 -3.181 1.00 1.00 H new ATOM 0 HD2 ARG A 11 51.232 -6.414 -3.319 1.00 1.00 H new ATOM 0 HD3 ARG A 11 50.910 -8.060 -2.811 1.00 1.00 H new ATOM 0 HE ARG A 11 52.892 -7.305 -1.005 1.00 1.00 H new ATOM 0 HH11 ARG A 11 49.942 -5.869 -2.211 1.00 1.00 H new ATOM 0 HH12 ARG A 11 49.606 -4.995 -0.713 1.00 1.00 H new ATOM 0 HH21 ARG A 11 52.463 -6.188 0.912 1.00 1.00 H new ATOM 0 HH22 ARG A 11 51.022 -5.174 1.041 1.00 1.00 H new ATOM 174 N SER A 12 57.137 -5.868 -5.241 1.00 1.00 N ATOM 175 CA SER A 12 58.144 -4.767 -5.275 1.00 1.00 C ATOM 176 C SER A 12 58.002 -3.989 -6.585 1.00 1.00 C ATOM 177 O SER A 12 57.177 -4.305 -7.419 1.00 1.00 O ATOM 178 CB SER A 12 59.550 -5.359 -5.186 1.00 1.00 C ATOM 179 OG SER A 12 59.748 -5.904 -3.889 1.00 1.00 O ATOM 0 H SER A 12 57.373 -6.687 -5.802 1.00 1.00 H new ATOM 0 HA SER A 12 57.978 -4.096 -4.432 1.00 1.00 H new ATOM 0 HB2 SER A 12 59.680 -6.133 -5.942 1.00 1.00 H new ATOM 0 HB3 SER A 12 60.295 -4.589 -5.387 1.00 1.00 H new ATOM 0 HG SER A 12 60.648 -6.286 -3.829 1.00 1.00 H new ATOM 185 N ALA A 13 58.801 -2.975 -6.774 1.00 1.00 N ATOM 186 CA ALA A 13 58.712 -2.179 -8.030 1.00 1.00 C ATOM 187 C ALA A 13 57.295 -1.624 -8.184 1.00 1.00 C ATOM 188 O ALA A 13 56.803 -1.446 -9.281 1.00 1.00 O ATOM 189 CB ALA A 13 59.044 -3.074 -9.227 1.00 1.00 C ATOM 0 H ALA A 13 59.512 -2.663 -6.112 1.00 1.00 H new ATOM 0 HA ALA A 13 59.422 -1.353 -7.987 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.979 -2.491 -10.146 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.055 -3.468 -9.118 1.00 1.00 H new ATOM 0 HB3 ALA A 13 58.335 -3.901 -9.271 1.00 1.00 H new ATOM 195 N THR A 14 56.635 -1.346 -7.093 1.00 1.00 N ATOM 196 CA THR A 14 55.251 -0.801 -7.179 1.00 1.00 C ATOM 197 C THR A 14 55.226 0.368 -8.165 1.00 1.00 C ATOM 198 O THR A 14 54.610 0.298 -9.210 1.00 1.00 O ATOM 199 CB THR A 14 54.808 -0.313 -5.797 1.00 1.00 C ATOM 200 OG1 THR A 14 55.090 -1.315 -4.831 1.00 1.00 O ATOM 201 CG2 THR A 14 53.306 -0.024 -5.813 1.00 1.00 C ATOM 0 H THR A 14 56.994 -1.473 -6.147 1.00 1.00 H new ATOM 0 HA THR A 14 54.573 -1.582 -7.523 1.00 1.00 H new ATOM 0 HB THR A 14 55.348 0.599 -5.543 1.00 1.00 H new ATOM 0 HG1 THR A 14 54.809 -1.004 -3.945 1.00 1.00 H new ATOM 0 HG21 THR A 14 52.992 0.323 -4.829 1.00 1.00 H new ATOM 0 HG22 THR A 14 53.091 0.745 -6.555 1.00 1.00 H new ATOM 0 HG23 THR A 14 52.763 -0.934 -6.067 1.00 1.00 H new ATOM 209 N ARG A 15 55.894 1.442 -7.843 1.00 1.00 N ATOM 210 CA ARG A 15 55.911 2.613 -8.763 1.00 1.00 C ATOM 211 C ARG A 15 56.957 3.622 -8.282 1.00 1.00 C ATOM 212 O ARG A 15 56.682 4.796 -8.138 1.00 1.00 O ATOM 213 CB ARG A 15 54.528 3.273 -8.775 1.00 1.00 C ATOM 214 CG ARG A 15 54.514 4.422 -9.786 1.00 1.00 C ATOM 215 CD ARG A 15 53.127 4.525 -10.423 1.00 1.00 C ATOM 216 NE ARG A 15 52.088 4.518 -9.355 1.00 1.00 N ATOM 217 CZ ARG A 15 51.779 5.626 -8.738 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.380 6.740 -9.057 1.00 1.00 N ATOM 219 NH2 ARG A 15 50.869 5.621 -7.803 1.00 1.00 N ATOM 0 H ARG A 15 56.429 1.559 -6.982 1.00 1.00 H new ATOM 0 HA ARG A 15 56.162 2.282 -9.771 1.00 1.00 H new ATOM 0 HB2 ARG A 15 53.766 2.538 -9.034 1.00 1.00 H new ATOM 0 HB3 ARG A 15 54.284 3.648 -7.781 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.769 5.359 -9.291 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.267 4.253 -10.555 1.00 1.00 H new ATOM 0 HD2 ARG A 15 53.052 5.439 -11.012 1.00 1.00 H new ATOM 0 HD3 ARG A 15 52.966 3.692 -11.107 1.00 1.00 H new ATOM 0 HE ARG A 15 51.618 3.647 -9.106 1.00 1.00 H new ATOM 0 HH11 ARG A 15 53.091 6.745 -9.788 1.00 1.00 H new ATOM 0 HH12 ARG A 15 52.139 7.606 -8.575 1.00 1.00 H new ATOM 0 HH21 ARG A 15 50.399 4.751 -7.554 1.00 1.00 H new ATOM 0 HH22 ARG A 15 50.628 6.487 -7.321 1.00 1.00 H new ATOM 233 N VAL A 16 58.158 3.173 -8.032 1.00 1.00 N ATOM 234 CA VAL A 16 59.222 4.106 -7.559 1.00 1.00 C ATOM 235 C VAL A 16 60.031 4.612 -8.757 1.00 1.00 C ATOM 236 O VAL A 16 60.423 5.761 -8.810 1.00 1.00 O ATOM 237 CB VAL A 16 60.151 3.373 -6.590 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.266 4.317 -6.138 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.351 2.910 -5.370 1.00 1.00 C ATOM 0 H VAL A 16 58.448 2.201 -8.135 1.00 1.00 H new ATOM 0 HA VAL A 16 58.760 4.952 -7.050 1.00 1.00 H new ATOM 0 HB VAL A 16 60.588 2.508 -7.090 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.928 3.794 -5.447 1.00 1.00 H new ATOM 0 HG12 VAL A 16 61.836 4.649 -7.006 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.830 5.182 -5.638 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.012 2.387 -4.678 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.915 3.775 -4.871 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.556 2.237 -5.690 1.00 1.00 H new ATOM 249 N MET A 17 60.284 3.766 -9.719 1.00 1.00 N ATOM 250 CA MET A 17 61.069 4.205 -10.909 1.00 1.00 C ATOM 251 C MET A 17 60.727 3.311 -12.105 1.00 1.00 C ATOM 252 O MET A 17 60.005 3.704 -12.999 1.00 1.00 O ATOM 253 CB MET A 17 62.567 4.103 -10.598 1.00 1.00 C ATOM 254 CG MET A 17 63.352 4.988 -11.568 1.00 1.00 C ATOM 255 SD MET A 17 63.232 4.304 -13.240 1.00 1.00 S ATOM 256 CE MET A 17 64.502 5.344 -14.002 1.00 1.00 C ATOM 0 H MET A 17 59.982 2.792 -9.733 1.00 1.00 H new ATOM 0 HA MET A 17 60.820 5.239 -11.150 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.758 4.413 -9.571 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.897 3.068 -10.685 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.958 6.004 -11.550 1.00 1.00 H new ATOM 0 HG3 MET A 17 64.396 5.045 -11.261 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.598 5.087 -15.057 1.00 1.00 H new ATOM 0 HE2 MET A 17 64.219 6.392 -13.908 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.456 5.180 -13.501 1.00 1.00 H new ATOM 266 N GLY A 18 61.242 2.111 -12.130 1.00 1.00 N ATOM 267 CA GLY A 18 60.947 1.196 -13.270 1.00 1.00 C ATOM 268 C GLY A 18 61.321 -0.237 -12.884 1.00 1.00 C ATOM 269 O GLY A 18 61.953 -0.472 -11.873 1.00 1.00 O ATOM 0 H GLY A 18 61.854 1.725 -11.411 1.00 1.00 H new ATOM 0 HA2 GLY A 18 59.890 1.250 -13.529 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.508 1.504 -14.152 1.00 1.00 H new ATOM 273 N GLY A 19 60.935 -1.197 -13.679 1.00 1.00 N ATOM 274 CA GLY A 19 61.268 -2.615 -13.355 1.00 1.00 C ATOM 275 C GLY A 19 62.660 -2.955 -13.895 1.00 1.00 C ATOM 276 O GLY A 19 63.606 -3.093 -13.145 1.00 1.00 O ATOM 0 H GLY A 19 60.403 -1.062 -14.539 1.00 1.00 H new ATOM 0 HA2 GLY A 19 61.239 -2.768 -12.276 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.525 -3.282 -13.792 1.00 1.00 H new ATOM 280 N PRO A 20 62.783 -3.089 -15.189 1.00 1.00 N ATOM 281 CA PRO A 20 64.078 -3.418 -15.848 1.00 1.00 C ATOM 282 C PRO A 20 65.251 -2.640 -15.242 1.00 1.00 C ATOM 283 O PRO A 20 65.257 -1.425 -15.228 1.00 1.00 O ATOM 284 CB PRO A 20 63.850 -3.006 -17.302 1.00 1.00 C ATOM 285 CG PRO A 20 62.381 -3.156 -17.525 1.00 1.00 C ATOM 286 CD PRO A 20 61.697 -2.939 -16.171 1.00 1.00 C ATOM 0 HA PRO A 20 64.344 -4.468 -15.728 1.00 1.00 H new ATOM 0 HB2 PRO A 20 64.172 -1.979 -17.476 1.00 1.00 H new ATOM 0 HB3 PRO A 20 64.419 -3.638 -17.984 1.00 1.00 H new ATOM 0 HG2 PRO A 20 62.026 -2.430 -18.257 1.00 1.00 H new ATOM 0 HG3 PRO A 20 62.150 -4.146 -17.919 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.239 -1.952 -16.110 1.00 1.00 H new ATOM 0 HD3 PRO A 20 60.905 -3.669 -16.003 1.00 1.00 H new ATOM 294 N CYS A 21 66.242 -3.331 -14.740 1.00 1.00 N ATOM 295 CA CYS A 21 67.413 -2.634 -14.132 1.00 1.00 C ATOM 296 C CYS A 21 68.653 -2.856 -15.000 1.00 1.00 C ATOM 297 O CYS A 21 69.301 -3.880 -14.922 1.00 1.00 O ATOM 298 CB CYS A 21 67.670 -3.197 -12.733 1.00 1.00 C ATOM 299 SG CYS A 21 69.188 -2.475 -12.061 1.00 1.00 S ATOM 0 H CYS A 21 66.290 -4.350 -14.725 1.00 1.00 H new ATOM 0 HA CYS A 21 67.202 -1.567 -14.066 1.00 1.00 H new ATOM 0 HB2 CYS A 21 66.827 -2.973 -12.079 1.00 1.00 H new ATOM 0 HB3 CYS A 21 67.759 -4.282 -12.777 1.00 1.00 H new ATOM 304 N THR A 22 68.994 -1.901 -15.823 1.00 1.00 N ATOM 305 CA THR A 22 70.198 -2.056 -16.690 1.00 1.00 C ATOM 306 C THR A 22 71.435 -1.528 -15.944 1.00 1.00 C ATOM 307 O THR A 22 71.465 -0.386 -15.528 1.00 1.00 O ATOM 308 CB THR A 22 70.001 -1.249 -17.975 1.00 1.00 C ATOM 309 OG1 THR A 22 71.269 -0.935 -18.533 1.00 1.00 O ATOM 310 CG2 THR A 22 69.246 0.043 -17.658 1.00 1.00 C ATOM 0 H THR A 22 68.491 -1.020 -15.933 1.00 1.00 H new ATOM 0 HA THR A 22 70.340 -3.109 -16.935 1.00 1.00 H new ATOM 0 HB THR A 22 69.425 -1.837 -18.689 1.00 1.00 H new ATOM 0 HG1 THR A 22 71.145 -0.419 -19.357 1.00 1.00 H new ATOM 0 HG21 THR A 22 69.106 0.617 -18.574 1.00 1.00 H new ATOM 0 HG22 THR A 22 68.273 -0.200 -17.230 1.00 1.00 H new ATOM 0 HG23 THR A 22 69.820 0.634 -16.944 1.00 1.00 H new ATOM 318 N PRO A 23 72.453 -2.342 -15.773 1.00 1.00 N ATOM 319 CA PRO A 23 73.701 -1.926 -15.066 1.00 1.00 C ATOM 320 C PRO A 23 74.166 -0.523 -15.476 1.00 1.00 C ATOM 321 O PRO A 23 73.794 -0.014 -16.514 1.00 1.00 O ATOM 322 CB PRO A 23 74.721 -2.980 -15.499 1.00 1.00 C ATOM 323 CG PRO A 23 73.914 -4.208 -15.765 1.00 1.00 C ATOM 324 CD PRO A 23 72.530 -3.739 -16.231 1.00 1.00 C ATOM 0 HA PRO A 23 73.559 -1.870 -13.987 1.00 1.00 H new ATOM 0 HB2 PRO A 23 75.263 -2.663 -16.390 1.00 1.00 H new ATOM 0 HB3 PRO A 23 75.463 -3.156 -14.720 1.00 1.00 H new ATOM 0 HG2 PRO A 23 74.390 -4.825 -16.527 1.00 1.00 H new ATOM 0 HG3 PRO A 23 73.832 -4.819 -14.866 1.00 1.00 H new ATOM 0 HD2 PRO A 23 72.429 -3.810 -17.314 1.00 1.00 H new ATOM 0 HD3 PRO A 23 71.736 -4.346 -15.796 1.00 1.00 H new ATOM 332 N ARG A 24 74.980 0.103 -14.668 1.00 1.00 N ATOM 333 CA ARG A 24 75.469 1.469 -15.012 1.00 1.00 C ATOM 334 C ARG A 24 76.257 1.401 -16.328 1.00 1.00 C ATOM 335 O ARG A 24 75.712 1.081 -17.365 1.00 1.00 O ATOM 336 CB ARG A 24 76.365 1.992 -13.875 1.00 1.00 C ATOM 337 CG ARG A 24 75.513 2.774 -12.873 1.00 1.00 C ATOM 338 CD ARG A 24 74.306 1.930 -12.460 1.00 1.00 C ATOM 339 NE ARG A 24 73.130 2.302 -13.296 1.00 1.00 N ATOM 340 CZ ARG A 24 72.057 1.560 -13.281 1.00 1.00 C ATOM 341 NH1 ARG A 24 72.014 0.491 -12.533 1.00 1.00 N ATOM 342 NH2 ARG A 24 71.027 1.886 -14.013 1.00 1.00 N ATOM 0 H ARG A 24 75.327 -0.273 -13.785 1.00 1.00 H new ATOM 0 HA ARG A 24 74.627 2.150 -15.135 1.00 1.00 H new ATOM 0 HB2 ARG A 24 76.860 1.159 -13.376 1.00 1.00 H new ATOM 0 HB3 ARG A 24 77.149 2.632 -14.280 1.00 1.00 H new ATOM 0 HG2 ARG A 24 76.108 3.030 -11.996 1.00 1.00 H new ATOM 0 HG3 ARG A 24 75.179 3.712 -13.317 1.00 1.00 H new ATOM 0 HD2 ARG A 24 74.531 0.870 -12.581 1.00 1.00 H new ATOM 0 HD3 ARG A 24 74.081 2.089 -11.405 1.00 1.00 H new ATOM 0 HE ARG A 24 73.164 3.137 -13.880 1.00 1.00 H new ATOM 0 HH11 ARG A 24 72.819 0.236 -11.961 1.00 1.00 H new ATOM 0 HH12 ARG A 24 71.175 -0.090 -12.521 1.00 1.00 H new ATOM 0 HH21 ARG A 24 71.061 2.721 -14.597 1.00 1.00 H new ATOM 0 HH22 ARG A 24 70.188 1.305 -14.001 1.00 1.00 H new ATOM 356 N LYS A 25 77.532 1.698 -16.299 1.00 1.00 N ATOM 357 CA LYS A 25 78.347 1.650 -17.550 1.00 1.00 C ATOM 358 C LYS A 25 79.685 0.968 -17.255 1.00 1.00 C ATOM 359 O LYS A 25 80.059 0.007 -17.898 1.00 1.00 O ATOM 360 CB LYS A 25 78.612 3.075 -18.047 1.00 1.00 C ATOM 361 CG LYS A 25 77.282 3.794 -18.279 1.00 1.00 C ATOM 362 CD LYS A 25 77.528 5.300 -18.393 1.00 1.00 C ATOM 363 CE LYS A 25 78.415 5.582 -19.608 1.00 1.00 C ATOM 364 NZ LYS A 25 78.358 7.034 -19.937 1.00 1.00 N ATOM 0 H LYS A 25 78.044 1.972 -15.461 1.00 1.00 H new ATOM 0 HA LYS A 25 77.805 1.092 -18.313 1.00 1.00 H new ATOM 0 HB2 LYS A 25 79.209 3.621 -17.316 1.00 1.00 H new ATOM 0 HB3 LYS A 25 79.188 3.047 -18.972 1.00 1.00 H new ATOM 0 HG2 LYS A 25 76.809 3.422 -19.188 1.00 1.00 H new ATOM 0 HG3 LYS A 25 76.597 3.588 -17.457 1.00 1.00 H new ATOM 0 HD2 LYS A 25 76.579 5.828 -18.492 1.00 1.00 H new ATOM 0 HD3 LYS A 25 78.006 5.671 -17.486 1.00 1.00 H new ATOM 0 HE2 LYS A 25 79.443 5.286 -19.398 1.00 1.00 H new ATOM 0 HE3 LYS A 25 78.081 4.991 -20.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 78.960 7.227 -20.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 77.377 7.303 -20.154 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 78.697 7.588 -19.124 1.00 1.00 H new ATOM 378 N GLY A 26 80.409 1.465 -16.288 1.00 1.00 N ATOM 379 CA GLY A 26 81.729 0.860 -15.941 1.00 1.00 C ATOM 380 C GLY A 26 82.744 1.980 -15.700 1.00 1.00 C ATOM 381 O GLY A 26 83.283 2.117 -14.619 1.00 1.00 O ATOM 0 H GLY A 26 80.142 2.269 -15.720 1.00 1.00 H new ATOM 0 HA2 GLY A 26 81.636 0.239 -15.050 1.00 1.00 H new ATOM 0 HA3 GLY A 26 82.069 0.211 -16.748 1.00 1.00 H new ATOM 385 N PRO A 27 82.994 2.779 -16.703 1.00 1.00 N ATOM 386 CA PRO A 27 83.954 3.918 -16.610 1.00 1.00 C ATOM 387 C PRO A 27 83.704 4.773 -15.359 1.00 1.00 C ATOM 388 O PRO A 27 82.648 4.708 -14.762 1.00 1.00 O ATOM 389 CB PRO A 27 83.680 4.726 -17.884 1.00 1.00 C ATOM 390 CG PRO A 27 83.115 3.747 -18.859 1.00 1.00 C ATOM 391 CD PRO A 27 82.385 2.681 -18.040 1.00 1.00 C ATOM 0 HA PRO A 27 84.987 3.582 -16.527 1.00 1.00 H new ATOM 0 HB2 PRO A 27 82.979 5.538 -17.691 1.00 1.00 H new ATOM 0 HB3 PRO A 27 84.595 5.179 -18.267 1.00 1.00 H new ATOM 0 HG2 PRO A 27 82.431 4.240 -19.550 1.00 1.00 H new ATOM 0 HG3 PRO A 27 83.906 3.299 -19.460 1.00 1.00 H new ATOM 0 HD2 PRO A 27 81.312 2.870 -18.005 1.00 1.00 H new ATOM 0 HD3 PRO A 27 82.519 1.688 -18.468 1.00 1.00 H new ATOM 399 N PRO A 28 84.666 5.568 -14.965 1.00 1.00 N ATOM 400 CA PRO A 28 84.543 6.444 -13.768 1.00 1.00 C ATOM 401 C PRO A 28 83.147 7.064 -13.643 1.00 1.00 C ATOM 402 O PRO A 28 82.613 7.611 -14.587 1.00 1.00 O ATOM 403 CB PRO A 28 85.598 7.520 -14.015 1.00 1.00 C ATOM 404 CG PRO A 28 86.662 6.838 -14.812 1.00 1.00 C ATOM 405 CD PRO A 28 85.978 5.725 -15.615 1.00 1.00 C ATOM 0 HA PRO A 28 84.688 5.896 -12.837 1.00 1.00 H new ATOM 0 HB2 PRO A 28 85.179 8.367 -14.558 1.00 1.00 H new ATOM 0 HB3 PRO A 28 85.994 7.908 -13.077 1.00 1.00 H new ATOM 0 HG2 PRO A 28 87.158 7.545 -15.478 1.00 1.00 H new ATOM 0 HG3 PRO A 28 87.429 6.425 -14.157 1.00 1.00 H new ATOM 0 HD2 PRO A 28 85.873 5.998 -16.665 1.00 1.00 H new ATOM 0 HD3 PRO A 28 86.552 4.799 -15.582 1.00 1.00 H new ATOM 413 N LYS A 29 82.553 6.979 -12.484 1.00 1.00 N ATOM 414 CA LYS A 29 81.193 7.559 -12.298 1.00 1.00 C ATOM 415 C LYS A 29 81.290 9.086 -12.247 1.00 1.00 C ATOM 416 O LYS A 29 80.481 9.786 -12.822 1.00 1.00 O ATOM 417 CB LYS A 29 80.592 7.035 -10.987 1.00 1.00 C ATOM 418 CG LYS A 29 79.065 7.045 -11.081 1.00 1.00 C ATOM 419 CD LYS A 29 78.586 5.758 -11.754 1.00 1.00 C ATOM 420 CE LYS A 29 78.301 4.698 -10.688 1.00 1.00 C ATOM 421 NZ LYS A 29 79.338 4.777 -9.621 1.00 1.00 N ATOM 0 H LYS A 29 82.951 6.533 -11.658 1.00 1.00 H new ATOM 0 HA LYS A 29 80.554 7.267 -13.132 1.00 1.00 H new ATOM 0 HB2 LYS A 29 80.948 6.023 -10.791 1.00 1.00 H new ATOM 0 HB3 LYS A 29 80.919 7.655 -10.152 1.00 1.00 H new ATOM 0 HG2 LYS A 29 78.629 7.131 -10.085 1.00 1.00 H new ATOM 0 HG3 LYS A 29 78.731 7.912 -11.651 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.686 5.954 -12.337 1.00 1.00 H new ATOM 0 HD3 LYS A 29 79.343 5.395 -12.449 1.00 1.00 H new ATOM 0 HE2 LYS A 29 77.311 4.854 -10.260 1.00 1.00 H new ATOM 0 HE3 LYS A 29 78.301 3.705 -11.138 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 79.175 4.024 -8.922 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 80.281 4.659 -10.044 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 79.283 5.703 -9.151 1.00 1.00 H new ATOM 435 N CYS A 30 82.273 9.606 -11.562 1.00 1.00 N ATOM 436 CA CYS A 30 82.420 11.086 -11.471 1.00 1.00 C ATOM 437 C CYS A 30 83.532 11.424 -10.476 1.00 1.00 C ATOM 438 O CYS A 30 84.313 12.331 -10.684 1.00 1.00 O ATOM 439 CB CYS A 30 81.098 11.701 -10.999 1.00 1.00 C ATOM 440 SG CYS A 30 81.425 13.279 -10.174 1.00 1.00 S ATOM 0 H CYS A 30 82.981 9.069 -11.061 1.00 1.00 H new ATOM 0 HA CYS A 30 82.676 11.491 -12.450 1.00 1.00 H new ATOM 0 HB2 CYS A 30 80.432 11.854 -11.848 1.00 1.00 H new ATOM 0 HB3 CYS A 30 80.591 11.020 -10.316 1.00 1.00 H new ATOM 445 N LYS A 31 83.610 10.697 -9.398 1.00 1.00 N ATOM 446 CA LYS A 31 84.670 10.967 -8.386 1.00 1.00 C ATOM 447 C LYS A 31 84.651 9.862 -7.327 1.00 1.00 C ATOM 448 O LYS A 31 83.752 9.045 -7.285 1.00 1.00 O ATOM 449 CB LYS A 31 84.413 12.328 -7.723 1.00 1.00 C ATOM 450 CG LYS A 31 85.747 12.981 -7.357 1.00 1.00 C ATOM 451 CD LYS A 31 86.303 13.724 -8.574 1.00 1.00 C ATOM 452 CE LYS A 31 87.800 13.974 -8.380 1.00 1.00 C ATOM 453 NZ LYS A 31 88.041 14.505 -7.009 1.00 1.00 N ATOM 0 H LYS A 31 82.983 9.924 -9.172 1.00 1.00 H new ATOM 0 HA LYS A 31 85.645 10.985 -8.872 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.854 12.974 -8.400 1.00 1.00 H new ATOM 0 HB3 LYS A 31 83.803 12.199 -6.829 1.00 1.00 H new ATOM 0 HG2 LYS A 31 85.609 13.674 -6.527 1.00 1.00 H new ATOM 0 HG3 LYS A 31 86.456 12.223 -7.025 1.00 1.00 H new ATOM 0 HD2 LYS A 31 86.136 13.139 -9.478 1.00 1.00 H new ATOM 0 HD3 LYS A 31 85.779 14.671 -8.706 1.00 1.00 H new ATOM 0 HE2 LYS A 31 88.356 13.048 -8.526 1.00 1.00 H new ATOM 0 HE3 LYS A 31 88.161 14.683 -9.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 88.947 15.015 -6.988 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 87.272 15.155 -6.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 88.072 13.716 -6.332 1.00 1.00 H new ATOM 467 N GLN A 32 85.636 9.828 -6.473 1.00 1.00 N ATOM 468 CA GLN A 32 85.673 8.774 -5.421 1.00 1.00 C ATOM 469 C GLN A 32 85.498 7.402 -6.075 1.00 1.00 C ATOM 470 O GLN A 32 84.491 6.745 -5.902 1.00 1.00 O ATOM 471 CB GLN A 32 84.541 9.010 -4.417 1.00 1.00 C ATOM 472 CG GLN A 32 84.728 8.090 -3.209 1.00 1.00 C ATOM 473 CD GLN A 32 83.437 8.051 -2.391 1.00 1.00 C ATOM 474 OE1 GLN A 32 82.987 9.065 -1.895 1.00 1.00 O ATOM 475 NE2 GLN A 32 82.816 6.914 -2.227 1.00 1.00 N ATOM 0 H GLN A 32 86.417 10.484 -6.458 1.00 1.00 H new ATOM 0 HA GLN A 32 86.630 8.812 -4.900 1.00 1.00 H new ATOM 0 HB2 GLN A 32 84.537 10.052 -4.096 1.00 1.00 H new ATOM 0 HB3 GLN A 32 83.577 8.817 -4.888 1.00 1.00 H new ATOM 0 HG2 GLN A 32 84.991 7.086 -3.541 1.00 1.00 H new ATOM 0 HG3 GLN A 32 85.552 8.447 -2.591 1.00 1.00 H new ATOM 0 HE21 GLN A 32 83.193 6.062 -2.643 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.954 6.878 -1.683 1.00 1.00 H new ATOM 484 N ARG A 33 86.471 6.964 -6.826 1.00 1.00 N ATOM 485 CA ARG A 33 86.360 5.635 -7.491 1.00 1.00 C ATOM 486 C ARG A 33 87.756 5.043 -7.694 1.00 1.00 C ATOM 487 O ARG A 33 87.908 3.947 -8.197 1.00 1.00 O ATOM 488 CB ARG A 33 85.656 5.786 -8.847 1.00 1.00 C ATOM 489 CG ARG A 33 86.236 6.984 -9.602 1.00 1.00 C ATOM 490 CD ARG A 33 87.420 6.525 -10.455 1.00 1.00 C ATOM 491 NE ARG A 33 87.796 7.609 -11.406 1.00 1.00 N ATOM 492 CZ ARG A 33 88.313 8.720 -10.957 1.00 1.00 C ATOM 493 NH1 ARG A 33 88.500 8.882 -9.676 1.00 1.00 N ATOM 494 NH2 ARG A 33 88.642 9.670 -11.789 1.00 1.00 N ATOM 0 H ARG A 33 87.338 7.469 -7.008 1.00 1.00 H new ATOM 0 HA ARG A 33 85.774 4.967 -6.860 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.783 4.878 -9.436 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.585 5.922 -8.698 1.00 1.00 H new ATOM 0 HG2 ARG A 33 85.471 7.434 -10.235 1.00 1.00 H new ATOM 0 HG3 ARG A 33 86.558 7.751 -8.897 1.00 1.00 H new ATOM 0 HD2 ARG A 33 88.268 6.277 -9.816 1.00 1.00 H new ATOM 0 HD3 ARG A 33 87.158 5.620 -11.003 1.00 1.00 H new ATOM 0 HE ARG A 33 87.649 7.483 -12.407 1.00 1.00 H new ATOM 0 HH11 ARG A 33 88.242 8.140 -9.025 1.00 1.00 H new ATOM 0 HH12 ARG A 33 88.904 9.750 -9.325 1.00 1.00 H new ATOM 0 HH21 ARG A 33 88.495 9.544 -12.791 1.00 1.00 H new ATOM 0 HH22 ARG A 33 89.046 10.538 -11.438 1.00 1.00 H new ATOM 508 N GLN A 34 88.778 5.755 -7.303 1.00 1.00 N ATOM 509 CA GLN A 34 90.162 5.225 -7.470 1.00 1.00 C ATOM 510 C GLN A 34 90.490 4.299 -6.296 1.00 1.00 C ATOM 511 O GLN A 34 91.595 4.293 -5.791 1.00 1.00 O ATOM 512 CB GLN A 34 91.162 6.386 -7.493 1.00 1.00 C ATOM 513 CG GLN A 34 90.561 7.564 -8.262 1.00 1.00 C ATOM 514 CD GLN A 34 91.591 8.691 -8.359 1.00 1.00 C ATOM 515 OE1 GLN A 34 91.484 9.688 -7.673 1.00 1.00 O ATOM 516 NE2 GLN A 34 92.593 8.573 -9.187 1.00 1.00 N ATOM 0 H GLN A 34 88.715 6.679 -6.876 1.00 1.00 H new ATOM 0 HA GLN A 34 90.228 4.673 -8.408 1.00 1.00 H new ATOM 0 HB2 GLN A 34 91.406 6.689 -6.475 1.00 1.00 H new ATOM 0 HB3 GLN A 34 92.093 6.069 -7.963 1.00 1.00 H new ATOM 0 HG2 GLN A 34 90.261 7.245 -9.260 1.00 1.00 H new ATOM 0 HG3 GLN A 34 89.663 7.921 -7.758 1.00 1.00 H new ATOM 0 HE21 GLN A 34 92.683 7.736 -9.763 1.00 1.00 H new ATOM 0 HE22 GLN A 34 93.286 9.318 -9.258 1.00 1.00 H new ATOM 525 N THR A 35 89.538 3.523 -5.853 1.00 1.00 N ATOM 526 CA THR A 35 89.794 2.605 -4.707 1.00 1.00 C ATOM 527 C THR A 35 89.959 3.434 -3.431 1.00 1.00 C ATOM 528 O THR A 35 90.728 3.097 -2.553 1.00 1.00 O ATOM 529 CB THR A 35 91.070 1.795 -4.969 1.00 1.00 C ATOM 530 OG1 THR A 35 91.201 1.559 -6.364 1.00 1.00 O ATOM 531 CG2 THR A 35 90.990 0.459 -4.229 1.00 1.00 C ATOM 0 H THR A 35 88.593 3.485 -6.236 1.00 1.00 H new ATOM 0 HA THR A 35 88.956 1.918 -4.591 1.00 1.00 H new ATOM 0 HB THR A 35 91.935 2.354 -4.612 1.00 1.00 H new ATOM 0 HG1 THR A 35 92.017 1.043 -6.533 1.00 1.00 H new ATOM 0 HG21 THR A 35 91.897 -0.115 -4.416 1.00 1.00 H new ATOM 0 HG22 THR A 35 90.890 0.641 -3.159 1.00 1.00 H new ATOM 0 HG23 THR A 35 90.126 -0.102 -4.584 1.00 1.00 H new ATOM 539 N ARG A 36 89.241 4.520 -3.327 1.00 1.00 N ATOM 540 CA ARG A 36 89.349 5.378 -2.114 1.00 1.00 C ATOM 541 C ARG A 36 88.707 4.654 -0.925 1.00 1.00 C ATOM 542 O ARG A 36 87.815 5.165 -0.279 1.00 1.00 O ATOM 543 CB ARG A 36 88.626 6.711 -2.369 1.00 1.00 C ATOM 544 CG ARG A 36 89.629 7.749 -2.876 1.00 1.00 C ATOM 545 CD ARG A 36 90.194 7.297 -4.225 1.00 1.00 C ATOM 546 NE ARG A 36 91.651 7.021 -4.085 1.00 1.00 N ATOM 547 CZ ARG A 36 92.490 8.007 -3.926 1.00 1.00 C ATOM 548 NH1 ARG A 36 92.053 9.236 -3.889 1.00 1.00 N ATOM 549 NH2 ARG A 36 93.767 7.765 -3.804 1.00 1.00 N ATOM 0 H ARG A 36 88.583 4.850 -4.033 1.00 1.00 H new ATOM 0 HA ARG A 36 90.397 5.576 -1.891 1.00 1.00 H new ATOM 0 HB2 ARG A 36 87.831 6.571 -3.101 1.00 1.00 H new ATOM 0 HB3 ARG A 36 88.156 7.063 -1.451 1.00 1.00 H new ATOM 0 HG2 ARG A 36 89.143 8.719 -2.980 1.00 1.00 H new ATOM 0 HG3 ARG A 36 90.437 7.873 -2.154 1.00 1.00 H new ATOM 0 HD2 ARG A 36 89.675 6.402 -4.568 1.00 1.00 H new ATOM 0 HD3 ARG A 36 90.030 8.069 -4.977 1.00 1.00 H new ATOM 0 HE ARG A 36 91.993 6.060 -4.113 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.055 9.426 -3.984 1.00 1.00 H new ATOM 0 HH12 ARG A 36 92.709 10.007 -3.765 1.00 1.00 H new ATOM 0 HH21 ARG A 36 94.109 6.805 -3.833 1.00 1.00 H new ATOM 0 HH22 ARG A 36 94.423 8.536 -3.680 1.00 1.00 H new ATOM 563 N GLN A 37 89.157 3.465 -0.632 1.00 1.00 N ATOM 564 CA GLN A 37 88.577 2.707 0.515 1.00 1.00 C ATOM 565 C GLN A 37 88.554 3.600 1.760 1.00 1.00 C ATOM 566 O GLN A 37 87.988 3.249 2.775 1.00 1.00 O ATOM 567 CB GLN A 37 89.436 1.468 0.789 1.00 1.00 C ATOM 568 CG GLN A 37 88.621 0.445 1.583 1.00 1.00 C ATOM 569 CD GLN A 37 87.546 -0.163 0.681 1.00 1.00 C ATOM 570 OE1 GLN A 37 86.294 -0.105 1.047 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 87.847 -0.697 -0.368 1.00 1.00 N flip ATOM 0 H GLN A 37 89.902 2.984 -1.137 1.00 1.00 H new ATOM 0 HA GLN A 37 87.560 2.400 0.273 1.00 1.00 H new ATOM 0 HB2 GLN A 37 89.771 1.030 -0.151 1.00 1.00 H new ATOM 0 HB3 GLN A 37 90.329 1.748 1.347 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.275 -0.338 1.966 1.00 1.00 H new ATOM 0 HG3 GLN A 37 88.158 0.924 2.446 1.00 1.00 H new ATOM 0 HE21 GLN A 37 88.825 -0.743 -0.655 1.00 1.00 H new ATOM 0 HE22 GLN A 37 87.122 -1.099 -0.962 1.00 1.00 H new ATOM 580 N CYS A 38 89.169 4.751 1.687 1.00 1.00 N ATOM 581 CA CYS A 38 89.190 5.672 2.860 1.00 1.00 C ATOM 582 C CYS A 38 90.090 5.091 3.952 1.00 1.00 C ATOM 583 O CYS A 38 90.444 3.929 3.926 1.00 1.00 O ATOM 584 CB CYS A 38 87.769 5.844 3.405 1.00 1.00 C ATOM 585 SG CYS A 38 86.588 5.805 2.034 1.00 1.00 S ATOM 0 H CYS A 38 89.660 5.094 0.861 1.00 1.00 H new ATOM 0 HA CYS A 38 89.578 6.642 2.549 1.00 1.00 H new ATOM 0 HB2 CYS A 38 87.543 5.050 4.117 1.00 1.00 H new ATOM 0 HB3 CYS A 38 87.686 6.788 3.943 1.00 1.00 H new ATOM 590 N LYS A 39 90.463 5.893 4.913 1.00 1.00 N ATOM 591 CA LYS A 39 91.339 5.392 6.008 1.00 1.00 C ATOM 592 C LYS A 39 90.681 4.174 6.664 1.00 1.00 C ATOM 593 O LYS A 39 89.754 3.596 6.132 1.00 1.00 O ATOM 594 CB LYS A 39 91.539 6.507 7.049 1.00 1.00 C ATOM 595 CG LYS A 39 93.035 6.718 7.292 1.00 1.00 C ATOM 596 CD LYS A 39 93.657 7.410 6.077 1.00 1.00 C ATOM 597 CE LYS A 39 95.069 6.869 5.849 1.00 1.00 C ATOM 598 NZ LYS A 39 94.990 5.546 5.167 1.00 1.00 N ATOM 0 H LYS A 39 90.198 6.875 4.986 1.00 1.00 H new ATOM 0 HA LYS A 39 92.309 5.101 5.604 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.083 7.433 6.698 1.00 1.00 H new ATOM 0 HB3 LYS A 39 91.042 6.241 7.982 1.00 1.00 H new ATOM 0 HG2 LYS A 39 93.187 7.323 8.186 1.00 1.00 H new ATOM 0 HG3 LYS A 39 93.524 5.760 7.468 1.00 1.00 H new ATOM 0 HD2 LYS A 39 93.043 7.238 5.193 1.00 1.00 H new ATOM 0 HD3 LYS A 39 93.690 8.488 6.237 1.00 1.00 H new ATOM 0 HE2 LYS A 39 95.645 7.569 5.243 1.00 1.00 H new ATOM 0 HE3 LYS A 39 95.590 6.769 6.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 95.947 5.233 4.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 94.561 4.849 5.809 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 94.407 5.632 4.310 1.00 1.00 H new ATOM 612 N SER A 40 91.154 3.777 7.813 1.00 1.00 N ATOM 613 CA SER A 40 90.556 2.595 8.493 1.00 1.00 C ATOM 614 C SER A 40 89.085 2.873 8.808 1.00 1.00 C ATOM 615 O SER A 40 88.227 2.766 7.954 1.00 1.00 O ATOM 616 CB SER A 40 91.314 2.315 9.789 1.00 1.00 C ATOM 617 OG SER A 40 92.654 1.959 9.480 1.00 1.00 O ATOM 0 H SER A 40 91.927 4.219 8.309 1.00 1.00 H new ATOM 0 HA SER A 40 90.626 1.727 7.838 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.298 3.196 10.431 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.829 1.510 10.341 1.00 1.00 H new ATOM 0 HG SER A 40 93.145 1.780 10.309 1.00 1.00 H new ATOM 623 N LYS A 41 88.786 3.227 10.030 1.00 1.00 N ATOM 624 CA LYS A 41 87.369 3.511 10.409 1.00 1.00 C ATOM 625 C LYS A 41 87.319 4.798 11.240 1.00 1.00 C ATOM 626 O LYS A 41 88.256 5.122 11.941 1.00 1.00 O ATOM 627 CB LYS A 41 86.830 2.347 11.244 1.00 1.00 C ATOM 628 CG LYS A 41 86.658 1.115 10.353 1.00 1.00 C ATOM 629 CD LYS A 41 86.533 -0.134 11.228 1.00 1.00 C ATOM 630 CE LYS A 41 86.197 -1.341 10.350 1.00 1.00 C ATOM 631 NZ LYS A 41 86.220 -2.580 11.178 1.00 1.00 N ATOM 0 H LYS A 41 89.464 3.332 10.785 1.00 1.00 H new ATOM 0 HA LYS A 41 86.762 3.630 9.511 1.00 1.00 H new ATOM 0 HB2 LYS A 41 87.515 2.124 12.062 1.00 1.00 H new ATOM 0 HB3 LYS A 41 85.875 2.620 11.694 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.771 1.225 9.729 1.00 1.00 H new ATOM 0 HG3 LYS A 41 87.510 1.017 9.681 1.00 1.00 H new ATOM 0 HD2 LYS A 41 87.465 -0.310 11.765 1.00 1.00 H new ATOM 0 HD3 LYS A 41 85.756 0.011 11.978 1.00 1.00 H new ATOM 0 HE2 LYS A 41 85.214 -1.212 9.897 1.00 1.00 H new ATOM 0 HE3 LYS A 41 86.916 -1.422 9.535 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 85.992 -3.401 10.581 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 87.167 -2.704 11.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 85.518 -2.501 11.941 1.00 1.00 H new ATOM 645 N PRO A 42 86.234 5.528 11.166 1.00 1.00 N ATOM 646 CA PRO A 42 86.072 6.800 11.930 1.00 1.00 C ATOM 647 C PRO A 42 86.075 6.557 13.446 1.00 1.00 C ATOM 648 O PRO A 42 85.707 5.495 13.908 1.00 1.00 O ATOM 649 CB PRO A 42 84.712 7.346 11.470 1.00 1.00 C ATOM 650 CG PRO A 42 83.983 6.176 10.895 1.00 1.00 C ATOM 651 CD PRO A 42 85.047 5.220 10.354 1.00 1.00 C ATOM 0 HA PRO A 42 86.892 7.493 11.744 1.00 1.00 H new ATOM 0 HB2 PRO A 42 84.161 7.779 12.305 1.00 1.00 H new ATOM 0 HB3 PRO A 42 84.837 8.134 10.727 1.00 1.00 H new ATOM 0 HG2 PRO A 42 83.374 5.687 11.656 1.00 1.00 H new ATOM 0 HG3 PRO A 42 83.307 6.493 10.101 1.00 1.00 H new ATOM 0 HD2 PRO A 42 84.744 4.179 10.465 1.00 1.00 H new ATOM 0 HD3 PRO A 42 85.233 5.386 9.293 1.00 1.00 H new ATOM 659 N PRO A 43 86.490 7.531 14.215 1.00 1.00 N ATOM 660 CA PRO A 43 86.541 7.413 15.701 1.00 1.00 C ATOM 661 C PRO A 43 85.153 7.517 16.345 1.00 1.00 C ATOM 662 O PRO A 43 84.451 8.494 16.176 1.00 1.00 O ATOM 663 CB PRO A 43 87.418 8.596 16.119 1.00 1.00 C ATOM 664 CG PRO A 43 87.211 9.621 15.054 1.00 1.00 C ATOM 665 CD PRO A 43 86.953 8.851 13.756 1.00 1.00 C ATOM 0 HA PRO A 43 86.927 6.445 16.020 1.00 1.00 H new ATOM 0 HB2 PRO A 43 87.126 8.978 17.097 1.00 1.00 H new ATOM 0 HB3 PRO A 43 88.466 8.306 16.190 1.00 1.00 H new ATOM 0 HG2 PRO A 43 86.367 10.267 15.296 1.00 1.00 H new ATOM 0 HG3 PRO A 43 88.087 10.263 14.957 1.00 1.00 H new ATOM 0 HD2 PRO A 43 86.202 9.346 13.140 1.00 1.00 H new ATOM 0 HD3 PRO A 43 87.857 8.770 13.153 1.00 1.00 H new ATOM 673 N LYS A 44 84.760 6.521 17.091 1.00 1.00 N ATOM 674 CA LYS A 44 83.425 6.563 17.755 1.00 1.00 C ATOM 675 C LYS A 44 82.326 6.689 16.694 1.00 1.00 C ATOM 676 O LYS A 44 82.583 6.638 15.508 1.00 1.00 O ATOM 677 CB LYS A 44 83.372 7.770 18.709 1.00 1.00 C ATOM 678 CG LYS A 44 83.129 7.284 20.139 1.00 1.00 C ATOM 679 CD LYS A 44 81.661 6.884 20.301 1.00 1.00 C ATOM 680 CE LYS A 44 81.354 6.657 21.782 1.00 1.00 C ATOM 681 NZ LYS A 44 79.984 6.088 21.924 1.00 1.00 N ATOM 0 H LYS A 44 85.306 5.678 17.270 1.00 1.00 H new ATOM 0 HA LYS A 44 83.268 5.645 18.322 1.00 1.00 H new ATOM 0 HB2 LYS A 44 84.307 8.328 18.658 1.00 1.00 H new ATOM 0 HB3 LYS A 44 82.577 8.451 18.406 1.00 1.00 H new ATOM 0 HG2 LYS A 44 83.775 6.434 20.360 1.00 1.00 H new ATOM 0 HG3 LYS A 44 83.383 8.071 20.850 1.00 1.00 H new ATOM 0 HD2 LYS A 44 81.014 7.664 19.900 1.00 1.00 H new ATOM 0 HD3 LYS A 44 81.456 5.977 19.733 1.00 1.00 H new ATOM 0 HE2 LYS A 44 82.088 5.978 22.217 1.00 1.00 H new ATOM 0 HE3 LYS A 44 81.427 7.598 22.328 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 79.775 5.934 22.931 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 79.290 6.751 21.524 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 79.930 5.182 21.416 1.00 1.00 H new ATOM 695 N LYS A 45 81.102 6.851 17.119 1.00 1.00 N ATOM 696 CA LYS A 45 79.978 6.979 16.147 1.00 1.00 C ATOM 697 C LYS A 45 78.916 7.919 16.724 1.00 1.00 C ATOM 698 O LYS A 45 79.198 9.050 17.068 1.00 1.00 O ATOM 699 CB LYS A 45 79.362 5.597 15.904 1.00 1.00 C ATOM 700 CG LYS A 45 78.877 5.009 17.230 1.00 1.00 C ATOM 701 CD LYS A 45 79.388 3.573 17.370 1.00 1.00 C ATOM 702 CE LYS A 45 78.883 2.977 18.685 1.00 1.00 C ATOM 703 NZ LYS A 45 79.852 1.953 19.170 1.00 1.00 N ATOM 0 H LYS A 45 80.831 6.900 18.101 1.00 1.00 H new ATOM 0 HA LYS A 45 80.348 7.384 15.205 1.00 1.00 H new ATOM 0 HB2 LYS A 45 78.530 5.677 15.204 1.00 1.00 H new ATOM 0 HB3 LYS A 45 80.099 4.935 15.449 1.00 1.00 H new ATOM 0 HG2 LYS A 45 79.235 5.616 18.062 1.00 1.00 H new ATOM 0 HG3 LYS A 45 77.788 5.024 17.270 1.00 1.00 H new ATOM 0 HD2 LYS A 45 79.044 2.970 16.530 1.00 1.00 H new ATOM 0 HD3 LYS A 45 80.478 3.560 17.347 1.00 1.00 H new ATOM 0 HE2 LYS A 45 78.764 3.763 19.431 1.00 1.00 H new ATOM 0 HE3 LYS A 45 77.902 2.525 18.539 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 79.510 1.547 20.064 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 79.944 1.199 18.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 80.779 2.398 19.325 1.00 1.00 H new ATOM 717 N GLY A 46 77.698 7.462 16.837 1.00 1.00 N ATOM 718 CA GLY A 46 76.623 8.331 17.397 1.00 1.00 C ATOM 719 C GLY A 46 75.268 7.635 17.246 1.00 1.00 C ATOM 720 O GLY A 46 74.760 7.475 16.154 1.00 1.00 O ATOM 0 H GLY A 46 77.401 6.525 16.566 1.00 1.00 H new ATOM 0 HA2 GLY A 46 76.821 8.539 18.448 1.00 1.00 H new ATOM 0 HA3 GLY A 46 76.610 9.290 16.879 1.00 1.00 H new ATOM 724 N VAL A 47 74.679 7.219 18.335 1.00 1.00 N ATOM 725 CA VAL A 47 73.360 6.534 18.255 1.00 1.00 C ATOM 726 C VAL A 47 72.413 7.339 17.361 1.00 1.00 C ATOM 727 O VAL A 47 71.391 6.849 16.924 1.00 1.00 O ATOM 728 CB VAL A 47 72.764 6.416 19.659 1.00 1.00 C ATOM 729 CG1 VAL A 47 72.396 7.808 20.177 1.00 1.00 C ATOM 730 CG2 VAL A 47 71.507 5.545 19.606 1.00 1.00 C ATOM 0 H VAL A 47 75.056 7.325 19.277 1.00 1.00 H new ATOM 0 HA VAL A 47 73.494 5.539 17.831 1.00 1.00 H new ATOM 0 HB VAL A 47 73.496 5.962 20.327 1.00 1.00 H new ATOM 0 HG11 VAL A 47 71.971 7.723 21.177 1.00 1.00 H new ATOM 0 HG12 VAL A 47 73.290 8.431 20.214 1.00 1.00 H new ATOM 0 HG13 VAL A 47 71.664 8.263 19.509 1.00 1.00 H new ATOM 0 HG21 VAL A 47 71.081 5.460 20.606 1.00 1.00 H new ATOM 0 HG22 VAL A 47 70.776 6.001 18.938 1.00 1.00 H new ATOM 0 HG23 VAL A 47 71.767 4.553 19.237 1.00 1.00 H new ATOM 740 N GLN A 48 72.744 8.571 17.085 1.00 1.00 N ATOM 741 CA GLN A 48 71.863 9.404 16.218 1.00 1.00 C ATOM 742 C GLN A 48 72.692 10.515 15.571 1.00 1.00 C ATOM 743 O GLN A 48 72.162 11.469 15.037 1.00 1.00 O ATOM 744 CB GLN A 48 70.746 10.021 17.068 1.00 1.00 C ATOM 745 CG GLN A 48 69.599 10.470 16.160 1.00 1.00 C ATOM 746 CD GLN A 48 68.400 10.880 17.016 1.00 1.00 C ATOM 747 OE1 GLN A 48 68.063 12.045 17.092 1.00 1.00 O ATOM 748 NE2 GLN A 48 67.737 9.966 17.669 1.00 1.00 N ATOM 0 H GLN A 48 73.586 9.037 17.422 1.00 1.00 H new ATOM 0 HA GLN A 48 71.421 8.782 15.439 1.00 1.00 H new ATOM 0 HB2 GLN A 48 70.384 9.294 17.795 1.00 1.00 H new ATOM 0 HB3 GLN A 48 71.131 10.871 17.632 1.00 1.00 H new ATOM 0 HG2 GLN A 48 69.919 11.307 15.539 1.00 1.00 H new ATOM 0 HG3 GLN A 48 69.318 9.662 15.485 1.00 1.00 H new ATOM 0 HE21 GLN A 48 68.019 8.988 17.606 1.00 1.00 H new ATOM 0 HE22 GLN A 48 66.936 10.229 18.243 1.00 1.00 H new ATOM 757 N GLY A 49 73.993 10.398 15.614 1.00 1.00 N ATOM 758 CA GLY A 49 74.864 11.445 15.004 1.00 1.00 C ATOM 759 C GLY A 49 76.016 10.775 14.255 1.00 1.00 C ATOM 760 O GLY A 49 76.428 9.680 14.581 1.00 1.00 O ATOM 0 H GLY A 49 74.491 9.620 16.047 1.00 1.00 H new ATOM 0 HA2 GLY A 49 74.283 12.064 14.321 1.00 1.00 H new ATOM 0 HA3 GLY A 49 75.254 12.105 15.778 1.00 1.00 H new ATOM 764 N CYS A 50 76.540 11.424 13.252 1.00 1.00 N ATOM 765 CA CYS A 50 77.666 10.824 12.482 1.00 1.00 C ATOM 766 C CYS A 50 78.219 11.858 11.500 1.00 1.00 C ATOM 767 O CYS A 50 79.380 11.832 11.145 1.00 1.00 O ATOM 768 CB CYS A 50 77.162 9.602 11.710 1.00 1.00 C ATOM 769 SG CYS A 50 78.566 8.555 11.256 1.00 1.00 S ATOM 0 H CYS A 50 76.237 12.344 12.932 1.00 1.00 H new ATOM 0 HA CYS A 50 78.455 10.518 13.169 1.00 1.00 H new ATOM 0 HB2 CYS A 50 76.457 9.038 12.320 1.00 1.00 H new ATOM 0 HB3 CYS A 50 76.627 9.919 10.815 1.00 1.00 H new ATOM 774 N GLY A 51 77.393 12.770 11.060 1.00 1.00 N ATOM 775 CA GLY A 51 77.860 13.813 10.098 1.00 1.00 C ATOM 776 C GLY A 51 76.865 13.918 8.942 1.00 1.00 C ATOM 777 O GLY A 51 77.242 13.950 7.787 1.00 1.00 O ATOM 0 H GLY A 51 76.411 12.838 11.326 1.00 1.00 H new ATOM 0 HA2 GLY A 51 77.951 14.775 10.603 1.00 1.00 H new ATOM 0 HA3 GLY A 51 78.849 13.557 9.719 1.00 1.00 H new ATOM 781 N ASP A 52 75.596 13.970 9.242 1.00 1.00 N ATOM 782 CA ASP A 52 74.579 14.070 8.159 1.00 1.00 C ATOM 783 C ASP A 52 74.965 15.196 7.199 1.00 1.00 C ATOM 784 O ASP A 52 74.876 15.054 5.996 1.00 1.00 O ATOM 785 CB ASP A 52 73.208 14.369 8.769 1.00 1.00 C ATOM 786 CG ASP A 52 72.138 14.304 7.677 1.00 1.00 C ATOM 787 OD1 ASP A 52 72.192 15.122 6.773 1.00 1.00 O ATOM 788 OD2 ASP A 52 71.283 13.439 7.764 1.00 1.00 O ATOM 0 H ASP A 52 75.220 13.948 10.190 1.00 1.00 H new ATOM 0 HA ASP A 52 74.536 13.126 7.615 1.00 1.00 H new ATOM 0 HB2 ASP A 52 72.984 13.649 9.556 1.00 1.00 H new ATOM 0 HB3 ASP A 52 73.211 15.356 9.231 1.00 1.00 H new ATOM 793 N ASP A 53 75.391 16.315 7.719 1.00 1.00 N ATOM 794 CA ASP A 53 75.780 17.449 6.834 1.00 1.00 C ATOM 795 C ASP A 53 74.616 17.787 5.900 1.00 1.00 C ATOM 796 O ASP A 53 73.466 17.756 6.291 1.00 1.00 O ATOM 797 CB ASP A 53 77.005 17.056 6.005 1.00 1.00 C ATOM 798 CG ASP A 53 78.118 16.571 6.935 1.00 1.00 C ATOM 799 OD1 ASP A 53 77.866 16.466 8.124 1.00 1.00 O ATOM 800 OD2 ASP A 53 79.204 16.312 6.443 1.00 1.00 O ATOM 0 H ASP A 53 75.486 16.493 8.719 1.00 1.00 H new ATOM 0 HA ASP A 53 76.022 18.320 7.444 1.00 1.00 H new ATOM 0 HB2 ASP A 53 76.741 16.271 5.297 1.00 1.00 H new ATOM 0 HB3 ASP A 53 77.351 17.909 5.421 1.00 1.00 H new ATOM 805 N ILE A 54 74.904 18.111 4.668 1.00 1.00 N ATOM 806 CA ILE A 54 73.811 18.450 3.711 1.00 1.00 C ATOM 807 C ILE A 54 74.185 17.961 2.310 1.00 1.00 C ATOM 808 O ILE A 54 74.610 18.728 1.469 1.00 1.00 O ATOM 809 CB ILE A 54 73.614 19.967 3.683 1.00 1.00 C ATOM 810 CG1 ILE A 54 73.534 20.496 5.117 1.00 1.00 C ATOM 811 CG2 ILE A 54 72.316 20.300 2.945 1.00 1.00 C ATOM 812 CD1 ILE A 54 73.178 21.984 5.093 1.00 1.00 C ATOM 0 H ILE A 54 75.848 18.156 4.283 1.00 1.00 H new ATOM 0 HA ILE A 54 72.888 17.966 4.029 1.00 1.00 H new ATOM 0 HB ILE A 54 74.454 20.433 3.168 1.00 1.00 H new ATOM 0 HG12 ILE A 54 72.783 19.941 5.679 1.00 1.00 H new ATOM 0 HG13 ILE A 54 74.487 20.347 5.624 1.00 1.00 H new ATOM 0 HG21 ILE A 54 72.176 21.381 2.925 1.00 1.00 H new ATOM 0 HG22 ILE A 54 72.371 19.922 1.924 1.00 1.00 H new ATOM 0 HG23 ILE A 54 71.475 19.834 3.459 1.00 1.00 H new ATOM 0 HD11 ILE A 54 73.121 22.361 6.114 1.00 1.00 H new ATOM 0 HD12 ILE A 54 73.945 22.533 4.546 1.00 1.00 H new ATOM 0 HD13 ILE A 54 72.214 22.120 4.602 1.00 1.00 H new ATOM 824 N PRO A 55 74.020 16.689 2.063 1.00 1.00 N ATOM 825 CA PRO A 55 74.330 16.071 0.749 1.00 1.00 C ATOM 826 C PRO A 55 73.134 16.135 -0.205 1.00 1.00 C ATOM 827 O PRO A 55 73.185 16.768 -1.241 1.00 1.00 O ATOM 828 CB PRO A 55 74.647 14.624 1.123 1.00 1.00 C ATOM 829 CG PRO A 55 73.818 14.342 2.336 1.00 1.00 C ATOM 830 CD PRO A 55 73.523 15.685 3.016 1.00 1.00 C ATOM 0 HA PRO A 55 75.140 16.577 0.224 1.00 1.00 H new ATOM 0 HB2 PRO A 55 74.398 13.943 0.309 1.00 1.00 H new ATOM 0 HB3 PRO A 55 75.709 14.495 1.333 1.00 1.00 H new ATOM 0 HG2 PRO A 55 72.891 13.841 2.058 1.00 1.00 H new ATOM 0 HG3 PRO A 55 74.349 13.676 3.017 1.00 1.00 H new ATOM 0 HD2 PRO A 55 72.457 15.810 3.206 1.00 1.00 H new ATOM 0 HD3 PRO A 55 74.029 15.764 3.978 1.00 1.00 H new ATOM 838 N GLY A 56 72.055 15.487 0.148 1.00 1.00 N ATOM 839 CA GLY A 56 70.839 15.503 -0.718 1.00 1.00 C ATOM 840 C GLY A 56 69.645 15.971 0.114 1.00 1.00 C ATOM 841 O GLY A 56 68.509 15.891 -0.308 1.00 1.00 O ATOM 0 H GLY A 56 71.963 14.943 1.006 1.00 1.00 H new ATOM 0 HA2 GLY A 56 70.990 16.168 -1.568 1.00 1.00 H new ATOM 0 HA3 GLY A 56 70.650 14.508 -1.122 1.00 1.00 H new ATOM 845 N MET A 57 69.898 16.461 1.297 1.00 1.00 N ATOM 846 CA MET A 57 68.786 16.940 2.166 1.00 1.00 C ATOM 847 C MET A 57 68.030 15.737 2.742 1.00 1.00 C ATOM 848 O MET A 57 67.365 15.841 3.754 1.00 1.00 O ATOM 849 CB MET A 57 67.831 17.817 1.342 1.00 1.00 C ATOM 850 CG MET A 57 67.360 18.999 2.192 1.00 1.00 C ATOM 851 SD MET A 57 66.482 18.382 3.649 1.00 1.00 S ATOM 852 CE MET A 57 66.728 19.838 4.696 1.00 1.00 C ATOM 0 H MET A 57 70.831 16.550 1.700 1.00 1.00 H new ATOM 0 HA MET A 57 69.193 17.531 2.987 1.00 1.00 H new ATOM 0 HB2 MET A 57 68.335 18.178 0.445 1.00 1.00 H new ATOM 0 HB3 MET A 57 66.975 17.229 1.012 1.00 1.00 H new ATOM 0 HG2 MET A 57 68.214 19.604 2.498 1.00 1.00 H new ATOM 0 HG3 MET A 57 66.706 19.644 1.606 1.00 1.00 H new ATOM 0 HE1 MET A 57 66.257 19.673 5.665 1.00 1.00 H new ATOM 0 HE2 MET A 57 67.795 20.010 4.836 1.00 1.00 H new ATOM 0 HE3 MET A 57 66.280 20.709 4.219 1.00 1.00 H new ATOM 862 N GLU A 58 68.127 14.594 2.113 1.00 1.00 N ATOM 863 CA GLU A 58 67.413 13.394 2.642 1.00 1.00 C ATOM 864 C GLU A 58 68.130 12.118 2.192 1.00 1.00 C ATOM 865 O GLU A 58 69.337 12.087 2.051 1.00 1.00 O ATOM 866 CB GLU A 58 65.965 13.379 2.133 1.00 1.00 C ATOM 867 CG GLU A 58 65.953 13.305 0.605 1.00 1.00 C ATOM 868 CD GLU A 58 65.971 14.720 0.024 1.00 1.00 C ATOM 869 OE1 GLU A 58 65.386 15.598 0.637 1.00 1.00 O ATOM 870 OE2 GLU A 58 66.570 14.902 -1.023 1.00 1.00 O ATOM 0 H GLU A 58 68.666 14.440 1.261 1.00 1.00 H new ATOM 0 HA GLU A 58 67.410 13.438 3.731 1.00 1.00 H new ATOM 0 HB2 GLU A 58 65.432 12.526 2.552 1.00 1.00 H new ATOM 0 HB3 GLU A 58 65.443 14.276 2.467 1.00 1.00 H new ATOM 0 HG2 GLU A 58 66.818 12.744 0.251 1.00 1.00 H new ATOM 0 HG3 GLU A 58 65.066 12.772 0.263 1.00 1.00 H new ATOM 877 N GLY A 59 67.393 11.064 1.967 1.00 1.00 N ATOM 878 CA GLY A 59 68.025 9.789 1.527 1.00 1.00 C ATOM 879 C GLY A 59 68.678 9.098 2.726 1.00 1.00 C ATOM 880 O GLY A 59 69.078 7.953 2.650 1.00 1.00 O ATOM 0 H GLY A 59 66.379 11.032 2.069 1.00 1.00 H new ATOM 0 HA2 GLY A 59 67.275 9.135 1.082 1.00 1.00 H new ATOM 0 HA3 GLY A 59 68.772 9.988 0.758 1.00 1.00 H new ATOM 884 N CYS A 60 68.790 9.782 3.832 1.00 1.00 N ATOM 885 CA CYS A 60 69.420 9.157 5.029 1.00 1.00 C ATOM 886 C CYS A 60 69.256 10.082 6.237 1.00 1.00 C ATOM 887 O CYS A 60 70.034 10.993 6.442 1.00 1.00 O ATOM 888 CB CYS A 60 70.908 8.931 4.761 1.00 1.00 C ATOM 889 SG CYS A 60 71.632 10.438 4.068 1.00 1.00 S ATOM 0 H CYS A 60 68.474 10.743 3.958 1.00 1.00 H new ATOM 0 HA CYS A 60 68.937 8.202 5.235 1.00 1.00 H new ATOM 0 HB2 CYS A 60 71.418 8.662 5.686 1.00 1.00 H new ATOM 0 HB3 CYS A 60 71.042 8.099 4.069 1.00 1.00 H new ATOM 894 N GLY A 61 68.253 9.855 7.040 1.00 1.00 N ATOM 895 CA GLY A 61 68.047 10.722 8.235 1.00 1.00 C ATOM 896 C GLY A 61 66.814 10.248 9.005 1.00 1.00 C ATOM 897 O GLY A 61 66.606 10.612 10.146 1.00 1.00 O ATOM 0 H GLY A 61 67.568 9.108 6.921 1.00 1.00 H new ATOM 0 HA2 GLY A 61 68.926 10.687 8.879 1.00 1.00 H new ATOM 0 HA3 GLY A 61 67.919 11.760 7.927 1.00 1.00 H new ATOM 901 N THR A 62 65.994 9.437 8.393 1.00 1.00 N ATOM 902 CA THR A 62 64.774 8.940 9.091 1.00 1.00 C ATOM 903 C THR A 62 64.477 7.507 8.642 1.00 1.00 C ATOM 904 O THR A 62 64.327 6.612 9.450 1.00 1.00 O ATOM 905 CB THR A 62 63.584 9.840 8.744 1.00 1.00 C ATOM 906 OG1 THR A 62 63.010 9.410 7.518 1.00 1.00 O ATOM 907 CG2 THR A 62 64.059 11.288 8.608 1.00 1.00 C ATOM 0 H THR A 62 66.116 9.097 7.439 1.00 1.00 H new ATOM 0 HA THR A 62 64.940 8.957 10.168 1.00 1.00 H new ATOM 0 HB THR A 62 62.838 9.779 9.536 1.00 1.00 H new ATOM 0 HG1 THR A 62 62.247 9.983 7.295 1.00 1.00 H new ATOM 0 HG21 THR A 62 63.211 11.927 8.361 1.00 1.00 H new ATOM 0 HG22 THR A 62 64.499 11.616 9.550 1.00 1.00 H new ATOM 0 HG23 THR A 62 64.805 11.353 7.816 1.00 1.00 H new ATOM 915 N ASP A 63 64.388 7.283 7.360 1.00 1.00 N ATOM 916 CA ASP A 63 64.097 5.910 6.861 1.00 1.00 C ATOM 917 C ASP A 63 65.285 4.993 7.159 1.00 1.00 C ATOM 918 O ASP A 63 65.348 3.873 6.692 1.00 1.00 O ATOM 919 CB ASP A 63 63.857 5.957 5.351 1.00 1.00 C ATOM 920 CG ASP A 63 64.957 6.786 4.685 1.00 1.00 C ATOM 921 OD1 ASP A 63 66.040 6.853 5.242 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.697 7.339 3.629 1.00 1.00 O ATOM 0 H ASP A 63 64.504 7.992 6.636 1.00 1.00 H new ATOM 0 HA ASP A 63 63.208 5.525 7.360 1.00 1.00 H new ATOM 0 HB2 ASP A 63 63.850 4.947 4.942 1.00 1.00 H new ATOM 0 HB3 ASP A 63 62.880 6.393 5.141 1.00 1.00 H new ATOM 927 N ILE A 64 66.229 5.456 7.933 1.00 1.00 N ATOM 928 CA ILE A 64 67.410 4.604 8.257 1.00 1.00 C ATOM 929 C ILE A 64 67.022 3.601 9.342 1.00 1.00 C ATOM 930 O ILE A 64 67.489 2.481 9.360 1.00 1.00 O ATOM 931 CB ILE A 64 68.576 5.492 8.740 1.00 1.00 C ATOM 932 CG1 ILE A 64 69.081 4.977 10.090 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.090 6.934 8.896 1.00 1.00 C ATOM 934 CD1 ILE A 64 70.338 5.751 10.493 1.00 1.00 C ATOM 0 H ILE A 64 66.234 6.385 8.354 1.00 1.00 H new ATOM 0 HA ILE A 64 67.730 4.063 7.367 1.00 1.00 H new ATOM 0 HB ILE A 64 69.385 5.459 8.010 1.00 1.00 H new ATOM 0 HG12 ILE A 64 68.308 5.097 10.849 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.302 3.912 10.025 1.00 1.00 H new ATOM 0 HG21 ILE A 64 68.914 7.561 9.237 1.00 1.00 H new ATOM 0 HG22 ILE A 64 67.728 7.302 7.936 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.281 6.968 9.626 1.00 1.00 H new ATOM 0 HD11 ILE A 64 70.698 5.385 11.454 1.00 1.00 H new ATOM 0 HD12 ILE A 64 71.111 5.608 9.738 1.00 1.00 H new ATOM 0 HD13 ILE A 64 70.102 6.812 10.574 1.00 1.00 H new ATOM 946 N THR A 65 66.175 4.009 10.246 1.00 1.00 N ATOM 947 CA THR A 65 65.744 3.105 11.355 1.00 1.00 C ATOM 948 C THR A 65 66.880 2.140 11.712 1.00 1.00 C ATOM 949 O THR A 65 66.657 0.978 11.985 1.00 1.00 O ATOM 950 CB THR A 65 64.504 2.312 10.925 1.00 1.00 C ATOM 951 OG1 THR A 65 64.168 1.376 11.939 1.00 1.00 O ATOM 952 CG2 THR A 65 64.797 1.570 9.620 1.00 1.00 C ATOM 0 H THR A 65 65.758 4.939 10.266 1.00 1.00 H new ATOM 0 HA THR A 65 65.499 3.706 12.231 1.00 1.00 H new ATOM 0 HB THR A 65 63.670 2.997 10.771 1.00 1.00 H new ATOM 0 HG1 THR A 65 64.890 0.720 12.030 1.00 1.00 H new ATOM 0 HG21 THR A 65 63.915 1.007 9.316 1.00 1.00 H new ATOM 0 HG22 THR A 65 65.054 2.289 8.842 1.00 1.00 H new ATOM 0 HG23 THR A 65 65.631 0.884 9.771 1.00 1.00 H new ATOM 960 N VAL A 66 68.098 2.620 11.700 1.00 1.00 N ATOM 961 CA VAL A 66 69.265 1.747 12.027 1.00 1.00 C ATOM 962 C VAL A 66 69.428 0.684 10.938 1.00 1.00 C ATOM 963 O VAL A 66 70.528 0.307 10.584 1.00 1.00 O ATOM 964 CB VAL A 66 69.050 1.068 13.383 1.00 1.00 C ATOM 965 CG1 VAL A 66 70.376 0.492 13.883 1.00 1.00 C ATOM 966 CG2 VAL A 66 68.531 2.096 14.390 1.00 1.00 C ATOM 0 H VAL A 66 68.335 3.586 11.476 1.00 1.00 H new ATOM 0 HA VAL A 66 70.166 2.359 12.077 1.00 1.00 H new ATOM 0 HB VAL A 66 68.323 0.263 13.274 1.00 1.00 H new ATOM 0 HG11 VAL A 66 70.222 0.009 14.848 1.00 1.00 H new ATOM 0 HG12 VAL A 66 70.748 -0.240 13.166 1.00 1.00 H new ATOM 0 HG13 VAL A 66 71.104 1.296 13.992 1.00 1.00 H new ATOM 0 HG21 VAL A 66 68.378 1.614 15.356 1.00 1.00 H new ATOM 0 HG22 VAL A 66 69.259 2.900 14.497 1.00 1.00 H new ATOM 0 HG23 VAL A 66 67.586 2.507 14.036 1.00 1.00 H new ATOM 976 N ILE A 67 68.340 0.207 10.396 1.00 1.00 N ATOM 977 CA ILE A 67 68.420 -0.823 9.319 1.00 1.00 C ATOM 978 C ILE A 67 67.425 -0.465 8.215 1.00 1.00 C ATOM 979 O ILE A 67 66.277 -0.862 8.246 1.00 1.00 O ATOM 980 CB ILE A 67 68.082 -2.203 9.892 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.195 -2.645 10.844 1.00 1.00 C ATOM 982 CG2 ILE A 67 67.958 -3.214 8.751 1.00 1.00 C ATOM 983 CD1 ILE A 67 68.761 -3.910 11.586 1.00 1.00 C ATOM 0 H ILE A 67 67.394 0.488 10.654 1.00 1.00 H new ATOM 0 HA ILE A 67 69.430 -0.849 8.911 1.00 1.00 H new ATOM 0 HB ILE A 67 67.138 -2.150 10.434 1.00 1.00 H new ATOM 0 HG12 ILE A 67 70.111 -2.835 10.285 1.00 1.00 H new ATOM 0 HG13 ILE A 67 69.415 -1.850 11.557 1.00 1.00 H new ATOM 0 HG21 ILE A 67 67.718 -4.196 9.159 1.00 1.00 H new ATOM 0 HG22 ILE A 67 67.166 -2.900 8.071 1.00 1.00 H new ATOM 0 HG23 ILE A 67 68.902 -3.268 8.209 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.554 -4.224 12.264 1.00 1.00 H new ATOM 0 HD12 ILE A 67 67.856 -3.704 12.157 1.00 1.00 H new ATOM 0 HD13 ILE A 67 68.563 -4.704 10.866 1.00 1.00 H new ATOM 995 N CYS A 68 67.856 0.281 7.240 1.00 1.00 N ATOM 996 CA CYS A 68 66.937 0.666 6.133 1.00 1.00 C ATOM 997 C CYS A 68 66.623 -0.569 5.284 1.00 1.00 C ATOM 998 O CYS A 68 67.431 -1.468 5.169 1.00 1.00 O ATOM 999 CB CYS A 68 67.617 1.721 5.262 1.00 1.00 C ATOM 1000 SG CYS A 68 69.154 1.045 4.587 1.00 1.00 S ATOM 0 H CYS A 68 68.807 0.642 7.160 1.00 1.00 H new ATOM 0 HA CYS A 68 66.012 1.070 6.544 1.00 1.00 H new ATOM 0 HB2 CYS A 68 66.953 2.023 4.452 1.00 1.00 H new ATOM 0 HB3 CYS A 68 67.827 2.614 5.851 1.00 1.00 H new ATOM 1005 N PRO A 69 65.460 -0.621 4.686 1.00 1.00 N ATOM 1006 CA PRO A 69 65.058 -1.777 3.833 1.00 1.00 C ATOM 1007 C PRO A 69 65.999 -1.955 2.636 1.00 1.00 C ATOM 1008 O PRO A 69 66.033 -2.996 2.012 1.00 1.00 O ATOM 1009 CB PRO A 69 63.634 -1.431 3.368 1.00 1.00 C ATOM 1010 CG PRO A 69 63.488 0.040 3.583 1.00 1.00 C ATOM 1011 CD PRO A 69 64.410 0.406 4.748 1.00 1.00 C ATOM 0 HA PRO A 69 65.104 -2.720 4.379 1.00 1.00 H new ATOM 0 HB2 PRO A 69 63.490 -1.690 2.319 1.00 1.00 H new ATOM 0 HB3 PRO A 69 62.889 -1.986 3.938 1.00 1.00 H new ATOM 0 HG2 PRO A 69 63.762 0.592 2.684 1.00 1.00 H new ATOM 0 HG3 PRO A 69 62.454 0.297 3.812 1.00 1.00 H new ATOM 0 HD2 PRO A 69 64.822 1.409 4.635 1.00 1.00 H new ATOM 0 HD3 PRO A 69 63.882 0.384 5.701 1.00 1.00 H new ATOM 1019 N TRP A 70 66.771 -0.949 2.316 1.00 1.00 N ATOM 1020 CA TRP A 70 67.712 -1.075 1.165 1.00 1.00 C ATOM 1021 C TRP A 70 68.944 -1.865 1.612 1.00 1.00 C ATOM 1022 O TRP A 70 69.914 -1.982 0.893 1.00 1.00 O ATOM 1023 CB TRP A 70 68.144 0.317 0.675 1.00 1.00 C ATOM 1024 CG TRP A 70 67.139 1.335 1.110 1.00 1.00 C ATOM 1025 CD1 TRP A 70 65.797 1.167 1.071 1.00 1.00 C ATOM 1026 CD2 TRP A 70 67.369 2.670 1.648 1.00 1.00 C ATOM 1027 NE1 TRP A 70 65.189 2.313 1.549 1.00 1.00 N ATOM 1028 CE2 TRP A 70 66.114 3.268 1.918 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.531 3.412 1.924 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 66.018 4.559 2.444 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 68.438 4.708 2.453 1.00 1.00 C ATOM 1032 CH2 TRP A 70 67.186 5.281 2.713 1.00 1.00 C ATOM 0 H TRP A 70 66.790 -0.051 2.799 1.00 1.00 H new ATOM 0 HA TRP A 70 67.212 -1.595 0.347 1.00 1.00 H new ATOM 0 HB2 TRP A 70 69.126 0.566 1.076 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.233 0.320 -0.411 1.00 1.00 H new ATOM 0 HD1 TRP A 70 65.284 0.282 0.723 1.00 1.00 H new ATOM 0 HE1 TRP A 70 64.179 2.437 1.620 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.502 2.981 1.727 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 65.050 4.996 2.641 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.338 5.268 2.661 1.00 1.00 H new ATOM 0 HH2 TRP A 70 67.123 6.279 3.121 1.00 1.00 H new ATOM 1043 N GLU A 71 68.911 -2.408 2.797 1.00 1.00 N ATOM 1044 CA GLU A 71 70.077 -3.191 3.289 1.00 1.00 C ATOM 1045 C GLU A 71 70.052 -4.579 2.643 1.00 1.00 C ATOM 1046 O GLU A 71 71.075 -5.126 2.281 1.00 1.00 O ATOM 1047 CB GLU A 71 69.996 -3.322 4.818 1.00 1.00 C ATOM 1048 CG GLU A 71 70.954 -2.322 5.469 1.00 1.00 C ATOM 1049 CD GLU A 71 72.375 -2.889 5.449 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.729 -3.580 6.390 1.00 1.00 O ATOM 1051 OE2 GLU A 71 73.085 -2.622 4.493 1.00 1.00 O ATOM 0 H GLU A 71 68.127 -2.343 3.446 1.00 1.00 H new ATOM 0 HA GLU A 71 71.005 -2.684 3.025 1.00 1.00 H new ATOM 0 HB2 GLU A 71 68.976 -3.137 5.156 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.253 -4.337 5.120 1.00 1.00 H new ATOM 0 HG2 GLU A 71 70.923 -1.372 4.935 1.00 1.00 H new ATOM 0 HG3 GLU A 71 70.645 -2.122 6.495 1.00 1.00 H new ATOM 1058 N ALA A 72 68.888 -5.150 2.493 1.00 1.00 N ATOM 1059 CA ALA A 72 68.792 -6.500 1.866 1.00 1.00 C ATOM 1060 C ALA A 72 69.053 -6.383 0.361 1.00 1.00 C ATOM 1061 O ALA A 72 68.494 -7.110 -0.435 1.00 1.00 O ATOM 1062 CB ALA A 72 67.391 -7.069 2.098 1.00 1.00 C ATOM 0 H ALA A 72 67.998 -4.740 2.778 1.00 1.00 H new ATOM 0 HA ALA A 72 69.533 -7.163 2.313 1.00 1.00 H new ATOM 0 HB1 ALA A 72 67.319 -8.056 1.640 1.00 1.00 H new ATOM 0 HB2 ALA A 72 67.204 -7.151 3.169 1.00 1.00 H new ATOM 0 HB3 ALA A 72 66.650 -6.406 1.650 1.00 1.00 H new ATOM 1068 N CYS A 73 69.898 -5.469 -0.033 1.00 1.00 N ATOM 1069 CA CYS A 73 70.196 -5.297 -1.484 1.00 1.00 C ATOM 1070 C CYS A 73 71.203 -6.361 -1.930 1.00 1.00 C ATOM 1071 O CYS A 73 72.261 -6.053 -2.443 1.00 1.00 O ATOM 1072 CB CYS A 73 70.785 -3.902 -1.714 1.00 1.00 C ATOM 1073 SG CYS A 73 70.258 -3.282 -3.331 1.00 1.00 S ATOM 0 HA CYS A 73 69.279 -5.407 -2.063 1.00 1.00 H new ATOM 0 HB2 CYS A 73 70.456 -3.223 -0.928 1.00 1.00 H new ATOM 0 HB3 CYS A 73 71.873 -3.943 -1.665 1.00 1.00 H new ATOM 1078 N ASN A 74 70.890 -7.611 -1.738 1.00 1.00 N ATOM 1079 CA ASN A 74 71.841 -8.680 -2.152 1.00 1.00 C ATOM 1080 C ASN A 74 73.169 -8.472 -1.422 1.00 1.00 C ATOM 1081 O ASN A 74 74.178 -9.055 -1.766 1.00 1.00 O ATOM 1082 CB ASN A 74 72.070 -8.602 -3.664 1.00 1.00 C ATOM 1083 CG ASN A 74 70.767 -8.198 -4.357 1.00 1.00 C ATOM 1084 OD1 ASN A 74 70.604 -7.062 -4.755 1.00 1.00 O ATOM 1085 ND2 ASN A 74 69.826 -9.087 -4.518 1.00 1.00 N ATOM 0 H ASN A 74 70.022 -7.938 -1.315 1.00 1.00 H new ATOM 0 HA ASN A 74 71.431 -9.658 -1.901 1.00 1.00 H new ATOM 0 HB2 ASN A 74 72.853 -7.877 -3.887 1.00 1.00 H new ATOM 0 HB3 ASN A 74 72.411 -9.566 -4.041 1.00 1.00 H new ATOM 0 HD21 ASN A 74 68.953 -8.828 -4.978 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.963 -10.041 -4.184 1.00 1.00 H new ATOM 1092 N HIS A 75 73.171 -7.638 -0.415 1.00 1.00 N ATOM 1093 CA HIS A 75 74.423 -7.369 0.354 1.00 1.00 C ATOM 1094 C HIS A 75 75.602 -7.170 -0.608 1.00 1.00 C ATOM 1095 O HIS A 75 76.744 -7.153 -0.200 1.00 1.00 O ATOM 1096 CB HIS A 75 74.716 -8.538 1.310 1.00 1.00 C ATOM 1097 CG HIS A 75 74.253 -9.827 0.688 1.00 1.00 C ATOM 1098 ND1 HIS A 75 72.912 -10.170 0.610 1.00 1.00 N ATOM 1099 CD2 HIS A 75 74.941 -10.867 0.111 1.00 1.00 C ATOM 1100 CE1 HIS A 75 72.833 -11.369 0.006 1.00 1.00 C ATOM 1101 NE2 HIS A 75 74.040 -11.837 -0.317 1.00 1.00 N ATOM 0 H HIS A 75 72.351 -7.127 -0.089 1.00 1.00 H new ATOM 0 HA HIS A 75 74.288 -6.459 0.938 1.00 1.00 H new ATOM 0 HB2 HIS A 75 75.784 -8.588 1.523 1.00 1.00 H new ATOM 0 HB3 HIS A 75 74.209 -8.379 2.261 1.00 1.00 H new ATOM 0 HD2 HIS A 75 76.014 -10.923 0.006 1.00 1.00 H new ATOM 0 HE1 HIS A 75 71.907 -11.889 -0.193 1.00 1.00 H new ATOM 0 HE2 HIS A 75 74.257 -12.720 -0.780 1.00 1.00 H new ATOM 1110 N CYS A 76 75.334 -7.007 -1.877 1.00 1.00 N ATOM 1111 CA CYS A 76 76.439 -6.801 -2.859 1.00 1.00 C ATOM 1112 C CYS A 76 77.483 -7.909 -2.701 1.00 1.00 C ATOM 1113 O CYS A 76 78.186 -7.979 -1.713 1.00 1.00 O ATOM 1114 CB CYS A 76 77.096 -5.441 -2.611 1.00 1.00 C ATOM 1115 SG CYS A 76 76.069 -4.134 -3.327 1.00 1.00 S ATOM 0 H CYS A 76 74.395 -7.008 -2.276 1.00 1.00 H new ATOM 0 HA CYS A 76 76.033 -6.830 -3.870 1.00 1.00 H new ATOM 0 HB2 CYS A 76 77.220 -5.275 -1.541 1.00 1.00 H new ATOM 0 HB3 CYS A 76 78.091 -5.420 -3.055 1.00 1.00 H new ATOM 1120 N GLU A 77 77.595 -8.773 -3.672 1.00 1.00 N ATOM 1121 CA GLU A 77 78.596 -9.875 -3.582 1.00 1.00 C ATOM 1122 C GLU A 77 79.980 -9.294 -3.280 1.00 1.00 C ATOM 1123 O GLU A 77 80.292 -8.951 -2.158 1.00 1.00 O ATOM 1124 CB GLU A 77 78.644 -10.628 -4.913 1.00 1.00 C ATOM 1125 CG GLU A 77 77.278 -11.257 -5.195 1.00 1.00 C ATOM 1126 CD GLU A 77 76.306 -10.176 -5.670 1.00 1.00 C ATOM 1127 OE1 GLU A 77 76.515 -9.652 -6.752 1.00 1.00 O ATOM 1128 OE2 GLU A 77 75.369 -9.889 -4.944 1.00 1.00 O ATOM 0 H GLU A 77 77.036 -8.764 -4.525 1.00 1.00 H new ATOM 0 HA GLU A 77 78.308 -10.558 -2.783 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.915 -9.946 -5.719 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.412 -11.401 -4.878 1.00 1.00 H new ATOM 0 HG2 GLU A 77 77.373 -12.034 -5.954 1.00 1.00 H new ATOM 0 HG3 GLU A 77 76.894 -11.736 -4.295 1.00 1.00 H new ATOM 1135 N LEU A 78 80.813 -9.187 -4.280 1.00 1.00 N ATOM 1136 CA LEU A 78 82.183 -8.635 -4.069 1.00 1.00 C ATOM 1137 C LEU A 78 83.046 -9.667 -3.327 1.00 1.00 C ATOM 1138 O LEU A 78 83.642 -10.530 -3.941 1.00 1.00 O ATOM 1139 CB LEU A 78 82.099 -7.323 -3.272 1.00 1.00 C ATOM 1140 CG LEU A 78 83.288 -6.430 -3.630 1.00 1.00 C ATOM 1141 CD1 LEU A 78 82.955 -5.612 -4.880 1.00 1.00 C ATOM 1142 CD2 LEU A 78 83.581 -5.482 -2.466 1.00 1.00 C ATOM 0 H LEU A 78 80.602 -9.460 -5.240 1.00 1.00 H new ATOM 0 HA LEU A 78 82.644 -8.424 -5.034 1.00 1.00 H new ATOM 0 HB2 LEU A 78 81.164 -6.809 -3.496 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.099 -7.534 -2.203 1.00 1.00 H new ATOM 0 HG LEU A 78 84.163 -7.051 -3.824 1.00 1.00 H new ATOM 0 HD11 LEU A 78 83.802 -4.976 -5.135 1.00 1.00 H new ATOM 0 HD12 LEU A 78 82.745 -6.286 -5.710 1.00 1.00 H new ATOM 0 HD13 LEU A 78 82.080 -4.991 -4.686 1.00 1.00 H new ATOM 0 HD21 LEU A 78 84.428 -4.845 -2.720 1.00 1.00 H new ATOM 0 HD22 LEU A 78 82.706 -4.862 -2.273 1.00 1.00 H new ATOM 0 HD23 LEU A 78 83.818 -6.063 -1.575 1.00 1.00 H new ATOM 1154 N HIS A 79 83.122 -9.598 -2.022 1.00 1.00 N ATOM 1155 CA HIS A 79 83.953 -10.593 -1.284 1.00 1.00 C ATOM 1156 C HIS A 79 83.751 -10.444 0.230 1.00 1.00 C ATOM 1157 O HIS A 79 82.664 -10.619 0.743 1.00 1.00 O ATOM 1158 CB HIS A 79 85.431 -10.380 -1.621 1.00 1.00 C ATOM 1159 CG HIS A 79 86.258 -11.428 -0.929 1.00 1.00 C ATOM 1160 ND1 HIS A 79 87.636 -11.327 -0.815 1.00 1.00 N ATOM 1161 CD2 HIS A 79 85.915 -12.606 -0.309 1.00 1.00 C ATOM 1162 CE1 HIS A 79 88.071 -12.412 -0.150 1.00 1.00 C ATOM 1163 NE2 HIS A 79 87.063 -13.222 0.180 1.00 1.00 N ATOM 0 H HIS A 79 82.650 -8.904 -1.442 1.00 1.00 H new ATOM 0 HA HIS A 79 83.646 -11.595 -1.585 1.00 1.00 H new ATOM 0 HB2 HIS A 79 85.581 -10.436 -2.699 1.00 1.00 H new ATOM 0 HB3 HIS A 79 85.747 -9.385 -1.306 1.00 1.00 H new ATOM 0 HD2 HIS A 79 84.911 -12.993 -0.216 1.00 1.00 H new ATOM 0 HE1 HIS A 79 89.107 -12.604 0.087 1.00 1.00 H new ATOM 0 HE2 HIS A 79 87.122 -14.107 0.685 1.00 1.00 H new ATOM 1172 N GLU A 80 84.803 -10.143 0.948 1.00 1.00 N ATOM 1173 CA GLU A 80 84.691 -10.005 2.432 1.00 1.00 C ATOM 1174 C GLU A 80 83.841 -8.784 2.798 1.00 1.00 C ATOM 1175 O GLU A 80 83.804 -8.369 3.939 1.00 1.00 O ATOM 1176 CB GLU A 80 86.091 -9.852 3.038 1.00 1.00 C ATOM 1177 CG GLU A 80 86.966 -9.018 2.100 1.00 1.00 C ATOM 1178 CD GLU A 80 88.286 -8.683 2.796 1.00 1.00 C ATOM 1179 OE1 GLU A 80 88.778 -9.526 3.527 1.00 1.00 O ATOM 1180 OE2 GLU A 80 88.783 -7.589 2.586 1.00 1.00 O ATOM 0 H GLU A 80 85.737 -9.986 0.570 1.00 1.00 H new ATOM 0 HA GLU A 80 84.210 -10.898 2.830 1.00 1.00 H new ATOM 0 HB2 GLU A 80 86.026 -9.372 4.014 1.00 1.00 H new ATOM 0 HB3 GLU A 80 86.540 -10.833 3.195 1.00 1.00 H new ATOM 0 HG2 GLU A 80 87.158 -9.569 1.179 1.00 1.00 H new ATOM 0 HG3 GLU A 80 86.447 -8.101 1.821 1.00 1.00 H new ATOM 1187 N LEU A 81 83.154 -8.208 1.851 1.00 1.00 N ATOM 1188 CA LEU A 81 82.305 -7.021 2.167 1.00 1.00 C ATOM 1189 C LEU A 81 80.879 -7.490 2.461 1.00 1.00 C ATOM 1190 O LEU A 81 80.261 -7.077 3.423 1.00 1.00 O ATOM 1191 CB LEU A 81 82.286 -6.065 0.966 1.00 1.00 C ATOM 1192 CG LEU A 81 83.517 -5.158 1.010 1.00 1.00 C ATOM 1193 CD1 LEU A 81 83.398 -4.191 2.189 1.00 1.00 C ATOM 1194 CD2 LEU A 81 84.774 -6.015 1.180 1.00 1.00 C ATOM 0 H LEU A 81 83.142 -8.505 0.875 1.00 1.00 H new ATOM 0 HA LEU A 81 82.712 -6.503 3.035 1.00 1.00 H new ATOM 0 HB2 LEU A 81 82.274 -6.634 0.036 1.00 1.00 H new ATOM 0 HB3 LEU A 81 81.378 -5.463 0.983 1.00 1.00 H new ATOM 0 HG LEU A 81 83.584 -4.591 0.081 1.00 1.00 H new ATOM 0 HD11 LEU A 81 84.275 -3.545 2.220 1.00 1.00 H new ATOM 0 HD12 LEU A 81 82.502 -3.581 2.070 1.00 1.00 H new ATOM 0 HD13 LEU A 81 83.331 -4.757 3.118 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.652 -5.370 1.212 1.00 1.00 H new ATOM 0 HD22 LEU A 81 84.706 -6.581 2.109 1.00 1.00 H new ATOM 0 HD23 LEU A 81 84.860 -6.705 0.341 1.00 1.00 H new ATOM 1206 N ALA A 82 80.352 -8.343 1.628 1.00 1.00 N ATOM 1207 CA ALA A 82 78.965 -8.843 1.838 1.00 1.00 C ATOM 1208 C ALA A 82 78.912 -9.741 3.078 1.00 1.00 C ATOM 1209 O ALA A 82 77.916 -10.384 3.345 1.00 1.00 O ATOM 1210 CB ALA A 82 78.529 -9.639 0.600 1.00 1.00 C ATOM 0 H ALA A 82 80.825 -8.717 0.806 1.00 1.00 H new ATOM 0 HA ALA A 82 78.292 -7.999 1.990 1.00 1.00 H new ATOM 0 HB1 ALA A 82 77.514 -10.009 0.744 1.00 1.00 H new ATOM 0 HB2 ALA A 82 78.558 -8.992 -0.277 1.00 1.00 H new ATOM 0 HB3 ALA A 82 79.205 -10.481 0.452 1.00 1.00 H new ATOM 1216 N GLN A 83 79.970 -9.801 3.837 1.00 1.00 N ATOM 1217 CA GLN A 83 79.952 -10.671 5.045 1.00 1.00 C ATOM 1218 C GLN A 83 79.057 -10.039 6.115 1.00 1.00 C ATOM 1219 O GLN A 83 79.529 -9.419 7.046 1.00 1.00 O ATOM 1220 CB GLN A 83 81.377 -10.838 5.587 1.00 1.00 C ATOM 1221 CG GLN A 83 82.088 -11.952 4.816 1.00 1.00 C ATOM 1222 CD GLN A 83 83.440 -12.244 5.471 1.00 1.00 C ATOM 1223 OE1 GLN A 83 84.092 -11.348 5.969 1.00 1.00 O ATOM 1224 NE2 GLN A 83 83.890 -13.469 5.491 1.00 1.00 N ATOM 0 H GLN A 83 80.838 -9.291 3.676 1.00 1.00 H new ATOM 0 HA GLN A 83 79.558 -11.652 4.779 1.00 1.00 H new ATOM 0 HB2 GLN A 83 81.928 -9.903 5.487 1.00 1.00 H new ATOM 0 HB3 GLN A 83 81.348 -11.078 6.650 1.00 1.00 H new ATOM 0 HG2 GLN A 83 81.474 -12.852 4.808 1.00 1.00 H new ATOM 0 HG3 GLN A 83 82.232 -11.655 3.777 1.00 1.00 H new ATOM 0 HE21 GLN A 83 83.342 -14.221 5.073 1.00 1.00 H new ATOM 0 HE22 GLN A 83 84.790 -13.675 5.925 1.00 1.00 H new ATOM 1233 N TYR A 84 77.764 -10.197 5.984 1.00 1.00 N ATOM 1234 CA TYR A 84 76.821 -9.617 6.987 1.00 1.00 C ATOM 1235 C TYR A 84 76.690 -8.110 6.763 1.00 1.00 C ATOM 1236 O TYR A 84 75.906 -7.448 7.413 1.00 1.00 O ATOM 1237 CB TYR A 84 77.338 -9.877 8.409 1.00 1.00 C ATOM 1238 CG TYR A 84 78.050 -11.208 8.451 1.00 1.00 C ATOM 1239 CD1 TYR A 84 77.387 -12.370 8.038 1.00 1.00 C ATOM 1240 CD2 TYR A 84 79.373 -11.280 8.902 1.00 1.00 C ATOM 1241 CE1 TYR A 84 78.047 -13.604 8.077 1.00 1.00 C ATOM 1242 CE2 TYR A 84 80.034 -12.514 8.941 1.00 1.00 C ATOM 1243 CZ TYR A 84 79.370 -13.676 8.528 1.00 1.00 C ATOM 1244 OH TYR A 84 80.021 -14.892 8.567 1.00 1.00 O ATOM 0 H TYR A 84 77.319 -10.706 5.220 1.00 1.00 H new ATOM 0 HA TYR A 84 75.846 -10.090 6.867 1.00 1.00 H new ATOM 0 HB2 TYR A 84 78.017 -9.080 8.712 1.00 1.00 H new ATOM 0 HB3 TYR A 84 76.508 -9.874 9.115 1.00 1.00 H new ATOM 0 HD1 TYR A 84 76.366 -12.314 7.689 1.00 1.00 H new ATOM 0 HD2 TYR A 84 79.884 -10.383 9.220 1.00 1.00 H new ATOM 0 HE1 TYR A 84 77.535 -14.500 7.759 1.00 1.00 H new ATOM 0 HE2 TYR A 84 81.055 -12.570 9.289 1.00 1.00 H new ATOM 0 HH TYR A 84 80.932 -14.764 8.904 1.00 1.00 H new ATOM 1254 N GLY A 85 77.455 -7.558 5.859 1.00 1.00 N ATOM 1255 CA GLY A 85 77.369 -6.087 5.617 1.00 1.00 C ATOM 1256 C GLY A 85 77.321 -5.372 6.967 1.00 1.00 C ATOM 1257 O GLY A 85 76.375 -4.682 7.283 1.00 1.00 O ATOM 0 H GLY A 85 78.131 -8.057 5.281 1.00 1.00 H new ATOM 0 HA2 GLY A 85 78.229 -5.748 5.040 1.00 1.00 H new ATOM 0 HA3 GLY A 85 76.480 -5.851 5.032 1.00 1.00 H new ATOM 1261 N ILE A 86 78.333 -5.563 7.771 1.00 1.00 N ATOM 1262 CA ILE A 86 78.368 -4.930 9.127 1.00 1.00 C ATOM 1263 C ILE A 86 77.794 -3.505 9.080 1.00 1.00 C ATOM 1264 O ILE A 86 78.515 -2.534 8.968 1.00 1.00 O ATOM 1265 CB ILE A 86 79.816 -4.901 9.633 1.00 1.00 C ATOM 1266 CG1 ILE A 86 79.840 -4.398 11.078 1.00 1.00 C ATOM 1267 CG2 ILE A 86 80.646 -3.963 8.755 1.00 1.00 C ATOM 1268 CD1 ILE A 86 81.289 -4.264 11.549 1.00 1.00 C ATOM 0 H ILE A 86 79.146 -6.136 7.546 1.00 1.00 H new ATOM 0 HA ILE A 86 77.753 -5.518 9.809 1.00 1.00 H new ATOM 0 HB ILE A 86 80.236 -5.906 9.589 1.00 1.00 H new ATOM 0 HG12 ILE A 86 79.334 -3.435 11.147 1.00 1.00 H new ATOM 0 HG13 ILE A 86 79.299 -5.090 11.724 1.00 1.00 H new ATOM 0 HG21 ILE A 86 81.675 -3.943 9.115 1.00 1.00 H new ATOM 0 HG22 ILE A 86 80.629 -4.319 7.725 1.00 1.00 H new ATOM 0 HG23 ILE A 86 80.227 -2.958 8.799 1.00 1.00 H new ATOM 0 HD11 ILE A 86 81.305 -3.906 12.578 1.00 1.00 H new ATOM 0 HD12 ILE A 86 81.780 -5.235 11.495 1.00 1.00 H new ATOM 0 HD13 ILE A 86 81.815 -3.555 10.910 1.00 1.00 H new ATOM 1280 N CYS A 87 76.496 -3.375 9.175 1.00 1.00 N ATOM 1281 CA CYS A 87 75.870 -2.022 9.149 1.00 1.00 C ATOM 1282 C CYS A 87 75.976 -1.384 10.537 1.00 1.00 C ATOM 1283 CB CYS A 87 74.396 -2.153 8.753 1.00 1.00 C ATOM 1284 SG CYS A 87 73.816 -0.590 8.047 1.00 1.00 S ATOM 0 H CYS A 87 75.841 -4.151 9.270 1.00 1.00 H new ATOM 0 HA CYS A 87 76.386 -1.393 8.423 1.00 1.00 H new ATOM 0 HB2 CYS A 87 74.274 -2.958 8.029 1.00 1.00 H new ATOM 0 HB3 CYS A 87 73.797 -2.415 9.625 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.799 -8.201 1.860 1.00 1.00 C HETATM 1291 O1G RCY A 110 61.242 -10.376 0.073 1.00 1.00 O HETATM 1292 O1H RCY A 110 57.340 -9.198 -2.312 1.00 1.00 O HETATM 1293 O1J RCY A 110 59.725 -5.506 2.668 1.00 1.00 O HETATM 1294 C1L RCY A 110 59.798 -11.594 -1.483 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.178 -7.047 -0.484 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.235 -10.394 -0.632 1.00 1.00 C HETATM 1297 C1Q RCY A 110 58.169 -9.820 -1.649 1.00 1.00 C HETATM 1298 N1R RCY A 110 59.262 -9.224 -0.770 1.00 1.00 N HETATM 1299 C1S RCY A 110 58.290 -11.330 -1.555 1.00 1.00 C HETATM 1300 C1U RCY A 110 59.352 -7.815 -0.182 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.311 -8.680 1.958 1.00 1.00 C HETATM 1302 N1V RCY A 110 59.139 -6.340 1.623 1.00 1.00 N HETATM 1303 C1W RCY A 110 58.116 -5.931 0.566 1.00 1.00 C HETATM 1304 C1X RCY A 110 59.412 -7.812 1.345 1.00 1.00 C HETATM 1305 C1Y RCY A 110 56.715 -5.847 1.180 1.00 1.00 C HETATM 1306 C1Z RCY A 110 58.524 -4.584 -0.031 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.544 -4.648 -0.409 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 57.849 -4.329 -0.848 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.987 -5.636 0.397 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.470 -6.795 1.658 1.00 1.00 H new HETATM 0 H1VB RCY A 110 58.488 -9.725 1.704 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.317 -8.564 3.042 1.00 1.00 H new HETATM 0 H1MA RCY A 110 58.232 -6.632 -1.490 1.00 1.00 H new HETATM 0 H1LA RCY A 110 60.268 -11.601 -2.467 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.049 -9.202 1.510 1.00 1.00 H new HETATM 0 H1CA RCY A 110 61.538 -7.491 1.488 1.00 1.00 H new HETATM 0 H1Z RCY A 110 58.470 -3.814 0.738 1.00 1.00 H new HETATM 0 H1Y RCY A 110 56.690 -5.050 1.923 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.343 -8.370 1.565 1.00 1.00 H new HETATM 0 H1U RCY A 110 60.259 -7.399 -0.620 1.00 1.00 H new HETATM 0 H1S RCY A 110 57.778 -11.714 -0.673 1.00 1.00 H new HETATM 0 H1M RCY A 110 57.284 -7.670 -0.444 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.033 -12.548 -1.011 1.00 1.00 H new HETATM 0 H1C RCY A 110 60.800 -8.187 2.950 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.807 2.286 -6.808 1.00 1.00 C HETATM 1310 O1G RCY A 121 68.792 -0.335 -7.406 1.00 1.00 O HETATM 1311 O1H RCY A 121 69.039 0.523 -12.044 1.00 1.00 O HETATM 1312 O1J RCY A 121 67.512 4.986 -7.124 1.00 1.00 O HETATM 1313 C1L RCY A 121 69.140 -1.768 -9.358 1.00 1.00 C HETATM 1314 C1M RCY A 121 67.653 2.817 -10.283 1.00 1.00 C HETATM 1315 C1P RCY A 121 68.870 -0.446 -8.629 1.00 1.00 C HETATM 1316 C1Q RCY A 121 68.785 0.007 -10.956 1.00 1.00 C HETATM 1317 N1R RCY A 121 68.712 0.715 -9.609 1.00 1.00 N HETATM 1318 C1S RCY A 121 68.486 -1.460 -10.710 1.00 1.00 C HETATM 1319 C1U RCY A 121 68.526 2.206 -9.323 1.00 1.00 C HETATM 1320 C1V RCY A 121 66.573 1.637 -7.816 1.00 1.00 C HETATM 1321 N1V RCY A 121 67.490 3.944 -8.146 1.00 1.00 N HETATM 1322 C1W RCY A 121 67.108 4.087 -9.618 1.00 1.00 C HETATM 1323 C1X RCY A 121 67.844 2.472 -7.982 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.586 4.164 -9.770 1.00 1.00 C HETATM 1325 C1Z RCY A 121 67.770 5.341 -10.188 1.00 1.00 C HETATM 0 H1ZB RCY A 121 68.845 5.295 -10.017 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 67.576 5.400 -11.259 1.00 1.00 H new HETATM 0 H1YB RCY A 121 65.326 4.181 -10.829 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.129 3.294 -9.298 1.00 1.00 H new HETATM 0 H1VB RCY A 121 66.837 0.581 -7.756 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.058 1.935 -6.903 1.00 1.00 H new HETATM 0 H1MA RCY A 121 68.191 3.058 -11.200 1.00 1.00 H new HETATM 0 H1LA RCY A 121 70.204 -1.985 -9.449 1.00 1.00 H new HETATM 0 H1CB RCY A 121 69.182 1.263 -6.804 1.00 1.00 H new HETATM 0 H1CA RCY A 121 69.643 2.978 -6.910 1.00 1.00 H new HETATM 0 H1Z RCY A 121 67.362 6.224 -9.696 1.00 1.00 H new HETATM 0 H1Y RCY A 121 65.218 5.072 -9.292 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.917 1.799 -8.671 1.00 1.00 H new HETATM 0 H1U RCY A 121 69.537 2.612 -9.346 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.412 -1.646 -10.682 1.00 1.00 H new HETATM 0 H1M RCY A 121 66.842 2.142 -10.557 1.00 1.00 H new HETATM 0 H1L RCY A 121 68.682 -2.622 -8.858 1.00 1.00 H new HETATM 0 H1C RCY A 121 68.283 2.484 -5.873 1.00 1.00 H new HETATM 1328 C1C RCY A 130 80.453 7.791 -7.935 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.171 12.136 -5.324 1.00 1.00 O HETATM 1330 O1H RCY A 130 81.943 10.437 -9.358 1.00 1.00 O HETATM 1331 O1J RCY A 130 80.591 5.924 -5.577 1.00 1.00 O HETATM 1332 C1L RCY A 130 80.462 13.090 -7.558 1.00 1.00 C HETATM 1333 C1M RCY A 130 81.567 9.568 -4.886 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.582 12.009 -6.476 1.00 1.00 C HETATM 1335 C1Q RCY A 130 81.663 11.180 -8.418 1.00 1.00 C HETATM 1336 N1R RCY A 130 81.275 10.755 -7.008 1.00 1.00 N HETATM 1337 C1S RCY A 130 81.643 12.697 -8.453 1.00 1.00 C HETATM 1338 C1U RCY A 130 81.520 9.415 -6.312 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.018 9.030 -6.252 1.00 1.00 C HETATM 1340 N1V RCY A 130 80.732 7.374 -5.481 1.00 1.00 N HETATM 1341 C1W RCY A 130 81.256 8.185 -4.298 1.00 1.00 C HETATM 1342 C1X RCY A 130 80.389 8.413 -6.539 1.00 1.00 C HETATM 1343 C1Y RCY A 130 80.188 8.292 -3.207 1.00 1.00 C HETATM 1344 C1Z RCY A 130 82.518 7.517 -3.753 1.00 1.00 C HETATM 0 H1ZB RCY A 130 83.243 7.396 -4.558 1.00 1.00 H new HETATM 0 H1YB RCY A 130 80.547 8.942 -2.409 1.00 1.00 H new HETATM 0 H1YA RCY A 130 79.275 8.709 -3.632 1.00 1.00 H new HETATM 0 H1VB RCY A 130 78.810 9.811 -6.983 1.00 1.00 H new HETATM 0 H1VA RCY A 130 78.251 8.258 -6.317 1.00 1.00 H new HETATM 0 H1MA RCY A 130 82.548 9.917 -4.564 1.00 1.00 H new HETATM 0 H1LA RCY A 130 79.508 13.050 -8.084 1.00 1.00 H new HETATM 0 H1CB RCY A 130 80.371 8.576 -8.687 1.00 1.00 H new HETATM 0 H1CA RCY A 130 81.402 7.269 -8.058 1.00 1.00 H new HETATM 0 H1Y RCY A 130 79.981 7.301 -2.802 1.00 1.00 H new HETATM 0 H1V RCY A 130 79.015 9.461 -5.251 1.00 1.00 H new HETATM 0 H1U RCY A 130 82.460 9.061 -6.735 1.00 1.00 H new HETATM 0 H1S RCY A 130 82.579 13.114 -8.081 1.00 1.00 H new HETATM 0 H1M RCY A 130 80.840 10.307 -4.549 1.00 1.00 H new HETATM 0 H1L RCY A 130 80.561 14.098 -7.154 1.00 1.00 H new HETATM 0 H1C RCY A 130 79.632 7.084 -8.056 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.009 1.256 1.158 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.240 2.029 3.002 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.147 3.880 -0.227 1.00 1.00 O HETATM 1350 O1J RCY A 138 81.385 3.109 -1.133 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.613 4.054 2.948 1.00 1.00 C HETATM 1352 C1M RCY A 138 84.842 1.452 -1.214 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.057 2.731 2.407 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.658 3.513 0.840 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.644 2.392 1.038 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.954 4.097 2.209 1.00 1.00 C HETATM 1357 C1U RCY A 138 84.309 1.231 0.099 1.00 1.00 C HETATM 1358 C1V RCY A 138 82.477 -0.251 -0.826 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.556 2.239 -1.080 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.802 2.296 -1.962 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.807 1.073 -0.134 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.511 1.695 -3.340 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.257 3.749 -2.093 1.00 1.00 C HETATM 0 H1ZB RCY A 138 84.401 4.176 -1.101 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 85.196 3.788 -2.644 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.430 1.666 -3.926 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.125 0.683 -3.221 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.714 -1.079 -0.159 1.00 1.00 H new HETATM 0 H1VA RCY A 138 81.416 -0.277 -1.074 1.00 1.00 H new HETATM 0 H1MA RCY A 138 85.800 1.970 -1.163 1.00 1.00 H new HETATM 0 H1LA RCY A 138 83.976 4.905 2.706 1.00 1.00 H new HETATM 0 H1CB RCY A 138 82.322 0.509 1.888 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.190 2.253 1.559 1.00 1.00 H new HETATM 0 H1Z RCY A 138 83.499 4.321 -2.628 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.771 2.308 -3.855 1.00 1.00 H new HETATM 0 H1V RCY A 138 83.065 -0.341 -1.739 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.733 0.356 0.590 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.713 3.515 2.732 1.00 1.00 H new HETATM 0 H1M RCY A 138 85.018 0.506 -1.727 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.734 4.044 4.031 1.00 1.00 H new HETATM 0 H1C RCY A 138 80.946 1.136 0.949 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.247 3.365 8.688 1.00 1.00 C HETATM 1367 O1G RCY A 150 76.895 7.661 6.480 1.00 1.00 O HETATM 1368 O1H RCY A 150 79.829 6.203 9.881 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.683 2.034 6.400 1.00 1.00 O HETATM 1370 C1L RCY A 150 77.483 8.554 8.681 1.00 1.00 C HETATM 1371 C1M RCY A 150 79.495 5.625 5.768 1.00 1.00 C HETATM 1372 C1P RCY A 150 77.523 7.540 7.530 1.00 1.00 C HETATM 1373 C1Q RCY A 150 78.854 6.661 9.287 1.00 1.00 C HETATM 1374 N1R RCY A 150 78.441 6.361 7.851 1.00 1.00 N HETATM 1375 C1S RCY A 150 77.835 7.633 9.854 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.847 5.180 6.968 1.00 1.00 C HETATM 1377 C1V RCY A 150 81.059 5.069 8.195 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.328 3.450 6.430 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.323 4.436 5.264 1.00 1.00 C HETATM 1380 C1X RCY A 150 79.881 4.272 7.631 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.751 4.878 4.930 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.666 3.775 4.052 1.00 1.00 C HETATM 0 H1ZB RCY A 150 78.675 3.415 4.327 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.577 4.502 3.245 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.723 5.643 4.154 1.00 1.00 H new HETATM 0 H1YA RCY A 150 82.224 5.285 5.824 1.00 1.00 H new HETATM 0 H1VB RCY A 150 80.714 5.694 9.018 1.00 1.00 H new HETATM 0 H1VA RCY A 150 81.823 4.381 8.557 1.00 1.00 H new HETATM 0 H1MA RCY A 150 78.763 5.934 5.022 1.00 1.00 H new HETATM 0 H1LA RCY A 150 78.205 9.360 8.552 1.00 1.00 H new HETATM 0 H1CB RCY A 150 78.783 3.977 9.462 1.00 1.00 H new HETATM 0 H1CA RCY A 150 78.489 2.736 8.221 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.277 2.936 3.719 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.323 4.021 4.574 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.480 5.700 7.412 1.00 1.00 H new HETATM 0 H1U RCY A 150 77.913 4.652 6.779 1.00 1.00 H new HETATM 0 H1S RCY A 150 76.954 7.111 10.226 1.00 1.00 H new HETATM 0 H1M RCY A 150 80.132 6.487 5.966 1.00 1.00 H new HETATM 0 H1L RCY A 150 76.503 9.018 8.794 1.00 1.00 H new HETATM 0 H1C RCY A 150 80.016 2.735 9.136 1.00 1.00 H new HETATM 1385 C1C RCY A 160 72.898 7.396 -2.230 1.00 1.00 C HETATM 1386 O1G RCY A 160 73.396 9.499 -0.666 1.00 1.00 O HETATM 1387 O1H RCY A 160 70.875 7.765 2.931 1.00 1.00 O HETATM 1388 O1J RCY A 160 71.122 5.246 -3.366 1.00 1.00 O HETATM 1389 C1L RCY A 160 72.920 10.313 1.592 1.00 1.00 C HETATM 1390 C1M RCY A 160 70.289 6.397 0.196 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.816 9.344 0.407 1.00 1.00 C HETATM 1392 C1Q RCY A 160 71.375 8.530 2.108 1.00 1.00 C HETATM 1393 N1R RCY A 160 71.901 8.163 0.726 1.00 1.00 N HETATM 1394 C1S RCY A 160 71.584 10.023 2.286 1.00 1.00 C HETATM 1395 C1U RCY A 160 71.586 6.926 -0.117 1.00 1.00 C HETATM 1396 C1V RCY A 160 70.609 8.435 -1.901 1.00 1.00 C HETATM 1397 N1V RCY A 160 70.855 5.952 -2.116 1.00 1.00 N HETATM 1398 C1W RCY A 160 69.859 5.571 -1.023 1.00 1.00 C HETATM 1399 C1X RCY A 160 71.509 7.231 -1.612 1.00 1.00 C HETATM 1400 C1Y RCY A 160 68.434 5.936 -1.446 1.00 1.00 C HETATM 1401 C1Z RCY A 160 69.971 4.072 -0.744 1.00 1.00 C HETATM 0 H1ZB RCY A 160 71.004 3.823 -0.503 1.00 1.00 H new HETATM 0 H1YB RCY A 160 67.748 5.735 -0.624 1.00 1.00 H new HETATM 0 H1YA RCY A 160 68.391 6.994 -1.704 1.00 1.00 H new HETATM 0 H1VB RCY A 160 71.062 9.336 -1.486 1.00 1.00 H new HETATM 0 H1VA RCY A 160 70.491 8.551 -2.978 1.00 1.00 H new HETATM 0 H1MA RCY A 160 70.327 5.778 1.092 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.777 10.100 2.231 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.419 8.218 -1.740 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.467 6.476 -2.098 1.00 1.00 H new HETATM 0 H1Z RCY A 160 69.659 3.513 -1.627 1.00 1.00 H new HETATM 0 H1Y RCY A 160 68.147 5.339 -2.312 1.00 1.00 H new HETATM 0 H1V RCY A 160 69.632 8.277 -1.444 1.00 1.00 H new HETATM 0 H1U RCY A 160 72.396 6.233 0.110 1.00 1.00 H new HETATM 0 H1S RCY A 160 70.772 10.593 1.836 1.00 1.00 H new HETATM 0 H1M RCY A 160 69.578 7.200 0.393 1.00 1.00 H new HETATM 0 H1L RCY A 160 73.009 11.352 1.275 1.00 1.00 H new HETATM 0 H1C RCY A 160 72.800 7.612 -3.294 1.00 1.00 H new HETATM 1404 C1C RCY A 168 69.662 -0.124 -1.400 1.00 1.00 C HETATM 1405 O1G RCY A 168 69.675 4.353 0.689 1.00 1.00 O HETATM 1406 O1H RCY A 168 70.773 0.039 2.267 1.00 1.00 O HETATM 1407 O1J RCY A 168 72.029 -0.540 -3.215 1.00 1.00 O HETATM 1408 C1L RCY A 168 69.293 3.199 2.813 1.00 1.00 C HETATM 1409 C1M RCY A 168 72.506 2.023 -0.402 1.00 1.00 C HETATM 1410 C1P RCY A 168 69.780 3.330 1.364 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.174 1.089 2.037 1.00 1.00 C HETATM 1412 N1R RCY A 168 70.410 2.031 0.863 1.00 1.00 N HETATM 1413 C1S RCY A 168 69.058 1.686 2.875 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.101 1.741 -0.471 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.481 -0.645 0.287 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.072 0.238 -1.980 1.00 1.00 N HETATM 1417 C1W RCY A 168 73.161 1.207 -1.524 1.00 1.00 C HETATM 1418 C1X RCY A 168 71.040 0.265 -0.861 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.374 0.438 -0.993 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.561 2.099 -2.699 1.00 1.00 C HETATM 0 H1YB RCY A 168 75.105 1.142 -0.595 1.00 1.00 H new HETATM 0 H1VB RCY A 168 70.763 -0.574 1.104 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.531 -1.676 -0.064 1.00 1.00 H new HETATM 0 H1MA RCY A 168 72.696 3.088 -0.533 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.037 3.536 3.535 1.00 1.00 H new HETATM 0 H1CB RCY A 168 68.907 0.059 -0.635 1.00 1.00 H new HETATM 0 H1CA RCY A 168 69.435 0.473 -2.284 1.00 1.00 H new HETATM 0 H1Y RCY A 168 74.825 -0.135 -1.803 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.464 -0.334 0.640 1.00 1.00 H new HETATM 0 H1U RCY A 168 70.574 2.368 -1.190 1.00 1.00 H new HETATM 0 H1S RCY A 168 68.078 1.421 2.477 1.00 1.00 H new HETATM 0 H1M RCY A 168 72.912 1.744 0.570 1.00 1.00 H new HETATM 0 H1C RCY A 168 69.660 -1.181 -1.666 1.00 1.00 H new HETATM 1423 C1C RCY A 173 71.421 3.038 -2.858 1.00 1.00 C HETATM 1424 O1G RCY A 173 72.176 1.034 -1.307 1.00 1.00 O HETATM 1425 O1H RCY A 173 71.577 -1.430 -5.290 1.00 1.00 O HETATM 1426 O1J RCY A 173 73.977 2.886 -1.273 1.00 1.00 O HETATM 1427 C1L RCY A 173 71.267 -1.188 -1.781 1.00 1.00 C HETATM 1428 C1M RCY A 173 74.048 1.223 -4.728 1.00 1.00 C HETATM 1429 C1P RCY A 173 71.868 0.178 -2.135 1.00 1.00 C HETATM 1430 C1Q RCY A 173 71.403 -0.934 -4.179 1.00 1.00 C HETATM 1431 N1R RCY A 173 72.035 0.345 -3.645 1.00 1.00 N HETATM 1432 C1S RCY A 173 70.512 -1.487 -3.081 1.00 1.00 C HETATM 1433 C1U RCY A 173 72.671 1.495 -4.428 1.00 1.00 C HETATM 1434 C1V RCY A 173 73.080 3.992 -4.521 1.00 1.00 C HETATM 1435 N1V RCY A 173 73.858 2.491 -2.673 1.00 1.00 N HETATM 1436 C1W RCY A 173 74.850 1.676 -3.502 1.00 1.00 C HETATM 1437 C1X RCY A 173 72.718 2.799 -3.634 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.036 2.547 -3.925 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.327 0.481 -2.677 1.00 1.00 C HETATM 0 H1ZB RCY A 173 74.465 -0.092 -2.335 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 75.964 -0.155 -3.292 1.00 1.00 H new HETATM 0 H1YB RCY A 173 76.691 1.976 -4.583 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.671 3.428 -4.453 1.00 1.00 H new HETATM 0 H1VB RCY A 173 72.280 4.167 -5.240 1.00 1.00 H new HETATM 0 H1VA RCY A 173 73.212 4.879 -3.902 1.00 1.00 H new HETATM 0 H1MA RCY A 173 74.202 0.162 -4.923 1.00 1.00 H new HETATM 0 H1LA RCY A 173 72.030 -1.935 -1.560 1.00 1.00 H new HETATM 0 H1CB RCY A 173 70.585 3.092 -3.555 1.00 1.00 H new HETATM 0 H1CA RCY A 173 71.259 2.217 -2.159 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.892 0.836 -1.815 1.00 1.00 H new HETATM 0 H1Y RCY A 173 76.592 2.858 -3.041 1.00 1.00 H new HETATM 0 H1V RCY A 173 74.007 3.781 -5.054 1.00 1.00 H new HETATM 0 H1U RCY A 173 72.049 1.590 -5.318 1.00 1.00 H new HETATM 0 H1S RCY A 173 69.532 -1.010 -3.088 1.00 1.00 H new HETATM 0 H1M RCY A 173 74.365 1.761 -5.621 1.00 1.00 H new HETATM 0 H1C RCY A 173 71.494 3.975 -2.306 1.00 1.00 H new HETATM 1442 C1C RCY A 176 71.589 -5.906 -0.183 1.00 1.00 C HETATM 1443 O1G RCY A 176 73.514 -0.801 -0.367 1.00 1.00 O HETATM 1444 O1H RCY A 176 73.928 -5.340 -1.602 1.00 1.00 O HETATM 1445 O1J RCY A 176 69.216 -5.366 1.591 1.00 1.00 O HETATM 1446 C1L RCY A 176 74.871 -1.965 -2.038 1.00 1.00 C HETATM 1447 C1M RCY A 176 71.616 -2.422 1.064 1.00 1.00 C HETATM 1448 C1P RCY A 176 73.865 -1.860 -0.884 1.00 1.00 C HETATM 1449 C1Q RCY A 176 74.185 -4.169 -1.328 1.00 1.00 C HETATM 1450 N1R RCY A 176 73.355 -3.235 -0.457 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.397 -3.385 -1.799 1.00 1.00 C HETATM 1452 C1U RCY A 176 72.286 -3.594 0.578 1.00 1.00 C HETATM 1453 C1V RCY A 176 70.607 -3.852 -1.299 1.00 1.00 C HETATM 1454 N1V RCY A 176 70.131 -4.334 1.112 1.00 1.00 N HETATM 1455 C1W RCY A 176 70.268 -2.899 1.619 1.00 1.00 C HETATM 1456 C1X RCY A 176 71.161 -4.448 -0.003 1.00 1.00 C HETATM 1457 C1Y RCY A 176 69.127 -2.031 1.083 1.00 1.00 C HETATM 1458 C1Z RCY A 176 70.268 -2.906 3.147 1.00 1.00 C HETATM 0 H1ZA RCY A 176 70.457 -1.898 3.515 1.00 1.00 H new HETATM 0 H1YA RCY A 176 69.103 -2.093 -0.005 1.00 1.00 H new HETATM 0 H1VB RCY A 176 71.373 -3.889 -2.073 1.00 1.00 H new HETATM 0 H1MA RCY A 176 72.204 -1.931 1.839 1.00 1.00 H new HETATM 0 H1LA RCY A 176 74.399 -1.853 -3.014 1.00 1.00 H new HETATM 0 H1CB RCY A 176 72.440 -5.954 -0.862 1.00 1.00 H new HETATM 0 H1CA RCY A 176 71.871 -6.324 0.783 1.00 1.00 H new HETATM 0 H1V RCY A 176 70.315 -2.816 -1.127 1.00 1.00 H new HETATM 0 H1U RCY A 176 72.833 -4.127 1.356 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.190 -3.393 -1.051 1.00 1.00 H new HETATM 0 H1M RCY A 176 71.473 -1.696 0.264 1.00 1.00 H new HETATM 0 H1L RCY A 176 75.657 -1.213 -1.976 1.00 1.00 H new HETATM 0 H1C RCY A 176 70.761 -6.480 -0.598 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.718 -3.755 5.956 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.011 0.296 4.122 1.00 1.00 O HETATM 1463 O1H RCY A 187 75.153 -3.028 6.914 1.00 1.00 O HETATM 1464 O1J RCY A 187 80.033 -4.885 3.494 1.00 1.00 O HETATM 1465 C1L RCY A 187 75.544 0.381 6.078 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.039 -2.568 2.879 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.370 -0.305 4.982 1.00 1.00 C HETATM 1468 C1Q RCY A 187 75.301 -2.017 6.229 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.297 -1.827 5.092 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.519 -0.723 6.362 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.030 -2.894 4.276 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.197 -1.637 4.648 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.013 -3.840 3.470 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.214 -3.342 2.268 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.510 -3.004 4.639 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.073 -2.419 1.399 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.726 -4.544 1.459 1.00 1.00 C HETATM 0 H1ZB RCY A 187 77.168 -5.218 2.109 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 77.080 -4.201 0.651 1.00 1.00 H new HETATM 0 H1YB RCY A 187 78.465 -2.007 0.594 1.00 1.00 H new HETATM 0 H1YA RCY A 187 79.465 -1.606 2.010 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.788 -1.030 5.456 1.00 1.00 H new HETATM 0 H1VA RCY A 187 80.268 -1.769 4.800 1.00 1.00 H new HETATM 0 H1MA RCY A 187 76.098 -2.851 2.407 1.00 1.00 H new HETATM 0 H1LA RCY A 187 76.141 0.632 6.955 1.00 1.00 H new HETATM 0 H1CB RCY A 187 78.207 -3.227 6.761 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.312 -4.763 5.868 1.00 1.00 H new HETATM 0 H1Z RCY A 187 78.582 -5.072 1.039 1.00 1.00 H new HETATM 0 H1Y RCY A 187 79.901 -2.986 0.974 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.025 -1.137 3.695 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.493 -3.817 4.496 1.00 1.00 H new HETATM 0 H1S RCY A 187 73.691 -0.686 5.654 1.00 1.00 H new HETATM 0 H1M RCY A 187 77.160 -1.495 2.730 1.00 1.00 H new HETATM 0 H1L RCY A 187 75.078 1.305 5.734 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.784 -3.812 6.178 1.00 1.00 H new