USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=16 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 34 GLNHE21 : A 34 GLN NE2 : A 130 RCY C1V :(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 RCYH1YB : A 130 RCY C1Y : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1YA : A 130 RCY C1Y : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VB : A 130 RCY C1V : A 34 GLN NE2 :(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 H1V : A 130 RCY C1V : A 34 GLN NE2 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VB : A 138 RCY C1V : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1V : A 138 RCY C1V : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 138 RCY H1U : A 138 RCY C1U : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 138 RCY C1X :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YA : A 150 RCY C1Y : A 138 RCY C1M :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 138 RCY C1M :(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 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY C1P :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VA : A 173 RCY C1V : A 176 RCY N1R :(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 H1Y : A 173 RCY C1Y : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1S :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 173 RCY C1Z :(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 H1V : A 176 RCY C1V : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1S : A 176 RCY C1S : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 83 GLN : amide:sc= -2.31 K(o=-2.3,f=-5.7!) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 GLN : amide:sc= -2.12 K(o=-1.3,f=-2.8!) USER MOD Set 2.2: A 65 THR OG1 : rot -54:sc= 0.856 USER MOD Set 3.1: A 12 SER OG : rot -128:sc= 1.26 USER MOD Set 3.2: A 14 THR OG1 : rot 180:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.136 (180deg=-0.907) USER MOD Single : A 2 ASN : amide:sc= -6.86! C(o=-6.9!,f=-0.7!) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= -1.12 (180deg=-1.72) USER MOD Single : A 17 MET CE :methyl 174:sc= -14.4! (180deg=-15!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -1.25 (180deg=-2.08!) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.0612 (180deg=-0.52) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc=-0.00877 (180deg=-0.259) USER MOD Single : A 32 GLN : amide:sc= -5! C(o=-5!,f=-6.2!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.713 K(o=-0.71,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= -0.0517 (180deg=-0.987) USER MOD Single : A 40 SER OG : rot 90:sc= -1.4! 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+ -144:sc= -3.97! (180deg=-6.26!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -68:sc= 0.771 USER MOD Single : A 74 ASN : amide:sc= -3.6! C(o=-3.6!,f=-4.2!) USER MOD Single : A 75 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.56) USER MOD Single : A 79 HIS : no HD1:sc= -0.0551 X(o=-0.055,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 59.679 -24.868 -1.134 1.00 1.00 N ATOM 2 CA MET A 1 60.008 -24.600 -2.562 1.00 1.00 C ATOM 3 C MET A 1 60.381 -23.125 -2.731 1.00 1.00 C ATOM 4 O MET A 1 61.231 -22.606 -2.034 1.00 1.00 O ATOM 5 CB MET A 1 58.794 -24.924 -3.435 1.00 1.00 C ATOM 6 CG MET A 1 58.281 -26.325 -3.097 1.00 1.00 C ATOM 7 SD MET A 1 59.588 -27.538 -3.405 1.00 1.00 S ATOM 8 CE MET A 1 58.587 -29.022 -3.143 1.00 1.00 C ATOM 0 H1 MET A 1 59.774 -25.885 -0.941 1.00 1.00 H new ATOM 0 H2 MET A 1 60.331 -24.337 -0.522 1.00 1.00 H new ATOM 0 H3 MET A 1 58.702 -24.569 -0.941 1.00 1.00 H new ATOM 0 HA MET A 1 60.849 -25.224 -2.865 1.00 1.00 H new ATOM 0 HB2 MET A 1 58.007 -24.188 -3.270 1.00 1.00 H new ATOM 0 HB3 MET A 1 59.066 -24.869 -4.489 1.00 1.00 H new ATOM 0 HG2 MET A 1 57.969 -26.368 -2.053 1.00 1.00 H new ATOM 0 HG3 MET A 1 57.404 -26.558 -3.701 1.00 1.00 H new ATOM 0 HE1 MET A 1 59.206 -29.908 -3.285 1.00 1.00 H new ATOM 0 HE2 MET A 1 58.188 -29.017 -2.129 1.00 1.00 H new ATOM 0 HE3 MET A 1 57.763 -29.036 -3.857 1.00 1.00 H new ATOM 17 N ASN A 2 59.753 -22.445 -3.651 1.00 1.00 N ATOM 18 CA ASN A 2 60.073 -21.005 -3.862 1.00 1.00 C ATOM 19 C ASN A 2 59.418 -20.169 -2.761 1.00 1.00 C ATOM 20 O ASN A 2 59.170 -18.992 -2.926 1.00 1.00 O ATOM 21 CB ASN A 2 59.541 -20.559 -5.226 1.00 1.00 C ATOM 22 CG ASN A 2 58.112 -21.073 -5.410 1.00 1.00 C ATOM 23 OD1 ASN A 2 57.534 -20.930 -6.469 1.00 1.00 O ATOM 24 ND2 ASN A 2 57.513 -21.669 -4.415 1.00 1.00 N ATOM 0 H ASN A 2 59.032 -22.824 -4.265 1.00 1.00 H new ATOM 0 HA ASN A 2 61.153 -20.865 -3.829 1.00 1.00 H new ATOM 0 HB2 ASN A 2 59.560 -19.471 -5.297 1.00 1.00 H new ATOM 0 HB3 ASN A 2 60.181 -20.942 -6.021 1.00 1.00 H new ATOM 0 HD21 ASN A 2 56.560 -22.015 -4.527 1.00 1.00 H new ATOM 0 HD22 ASN A 2 57.998 -21.789 -3.526 1.00 1.00 H new ATOM 31 N LEU A 3 59.135 -20.769 -1.637 1.00 1.00 N ATOM 32 CA LEU A 3 58.497 -20.008 -0.526 1.00 1.00 C ATOM 33 C LEU A 3 59.528 -19.071 0.107 1.00 1.00 C ATOM 34 O LEU A 3 60.628 -19.473 0.433 1.00 1.00 O ATOM 35 CB LEU A 3 57.979 -20.987 0.532 1.00 1.00 C ATOM 36 CG LEU A 3 57.024 -20.262 1.482 1.00 1.00 C ATOM 37 CD1 LEU A 3 55.605 -20.308 0.913 1.00 1.00 C ATOM 38 CD2 LEU A 3 57.047 -20.949 2.849 1.00 1.00 C ATOM 0 H LEU A 3 59.318 -21.753 -1.440 1.00 1.00 H new ATOM 0 HA LEU A 3 57.665 -19.422 -0.917 1.00 1.00 H new ATOM 0 HB2 LEU A 3 57.466 -21.820 0.051 1.00 1.00 H new ATOM 0 HB3 LEU A 3 58.814 -21.408 1.092 1.00 1.00 H new ATOM 0 HG LEU A 3 57.338 -19.224 1.591 1.00 1.00 H new ATOM 0 HD11 LEU A 3 54.925 -19.791 1.590 1.00 1.00 H new ATOM 0 HD12 LEU A 3 55.588 -19.820 -0.061 1.00 1.00 H new ATOM 0 HD13 LEU A 3 55.290 -21.346 0.804 1.00 1.00 H new ATOM 0 HD21 LEU A 3 56.367 -20.433 3.527 1.00 1.00 H new ATOM 0 HD22 LEU A 3 56.733 -21.987 2.740 1.00 1.00 H new ATOM 0 HD23 LEU A 3 58.058 -20.917 3.255 1.00 1.00 H new ATOM 50 N GLU A 4 59.184 -17.825 0.284 1.00 1.00 N ATOM 51 CA GLU A 4 60.147 -16.867 0.896 1.00 1.00 C ATOM 52 C GLU A 4 60.259 -17.150 2.401 1.00 1.00 C ATOM 53 O GLU A 4 59.261 -17.238 3.088 1.00 1.00 O ATOM 54 CB GLU A 4 59.643 -15.437 0.685 1.00 1.00 C ATOM 55 CG GLU A 4 59.193 -15.263 -0.767 1.00 1.00 C ATOM 56 CD GLU A 4 60.349 -15.613 -1.706 1.00 1.00 C ATOM 57 OE1 GLU A 4 61.337 -14.896 -1.690 1.00 1.00 O ATOM 58 OE2 GLU A 4 60.228 -16.591 -2.424 1.00 1.00 O ATOM 0 H GLU A 4 58.278 -17.429 0.031 1.00 1.00 H new ATOM 0 HA GLU A 4 61.125 -16.983 0.429 1.00 1.00 H new ATOM 0 HB2 GLU A 4 58.814 -15.229 1.361 1.00 1.00 H new ATOM 0 HB3 GLU A 4 60.433 -14.723 0.920 1.00 1.00 H new ATOM 0 HG2 GLU A 4 58.337 -15.905 -0.973 1.00 1.00 H new ATOM 0 HG3 GLU A 4 58.870 -14.236 -0.938 1.00 1.00 H new ATOM 65 N PRO A 5 61.459 -17.291 2.917 1.00 1.00 N ATOM 66 CA PRO A 5 61.680 -17.568 4.365 1.00 1.00 C ATOM 67 C PRO A 5 60.733 -16.763 5.267 1.00 1.00 C ATOM 68 O PRO A 5 60.937 -15.586 5.489 1.00 1.00 O ATOM 69 CB PRO A 5 63.128 -17.130 4.585 1.00 1.00 C ATOM 70 CG PRO A 5 63.802 -17.360 3.272 1.00 1.00 C ATOM 71 CD PRO A 5 62.733 -17.200 2.184 1.00 1.00 C ATOM 0 HA PRO A 5 61.489 -18.611 4.616 1.00 1.00 H new ATOM 0 HB2 PRO A 5 63.183 -16.082 4.879 1.00 1.00 H new ATOM 0 HB3 PRO A 5 63.600 -17.709 5.378 1.00 1.00 H new ATOM 0 HG2 PRO A 5 64.612 -16.646 3.124 1.00 1.00 H new ATOM 0 HG3 PRO A 5 64.244 -18.356 3.235 1.00 1.00 H new ATOM 0 HD2 PRO A 5 62.829 -16.245 1.668 1.00 1.00 H new ATOM 0 HD3 PRO A 5 62.814 -17.980 1.427 1.00 1.00 H new ATOM 79 N PRO A 6 59.704 -17.388 5.784 1.00 1.00 N ATOM 80 CA PRO A 6 58.719 -16.713 6.671 1.00 1.00 C ATOM 81 C PRO A 6 59.179 -16.692 8.133 1.00 1.00 C ATOM 82 O PRO A 6 59.569 -17.703 8.684 1.00 1.00 O ATOM 83 CB PRO A 6 57.467 -17.574 6.511 1.00 1.00 C ATOM 84 CG PRO A 6 57.979 -18.952 6.237 1.00 1.00 C ATOM 85 CD PRO A 6 59.358 -18.804 5.579 1.00 1.00 C ATOM 0 HA PRO A 6 58.570 -15.666 6.407 1.00 1.00 H new ATOM 0 HB2 PRO A 6 56.855 -17.552 7.413 1.00 1.00 H new ATOM 0 HB3 PRO A 6 56.843 -17.215 5.693 1.00 1.00 H new ATOM 0 HG2 PRO A 6 58.054 -19.525 7.161 1.00 1.00 H new ATOM 0 HG3 PRO A 6 57.296 -19.492 5.581 1.00 1.00 H new ATOM 0 HD2 PRO A 6 60.092 -19.464 6.040 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.323 -19.056 4.519 1.00 1.00 H new ATOM 93 N LYS A 7 59.135 -15.549 8.766 1.00 1.00 N ATOM 94 CA LYS A 7 59.569 -15.466 10.192 1.00 1.00 C ATOM 95 C LYS A 7 58.672 -14.472 10.937 1.00 1.00 C ATOM 96 O LYS A 7 58.634 -14.446 12.151 1.00 1.00 O ATOM 97 CB LYS A 7 61.038 -15.004 10.276 1.00 1.00 C ATOM 98 CG LYS A 7 61.534 -14.611 8.883 1.00 1.00 C ATOM 99 CD LYS A 7 60.800 -13.354 8.415 1.00 1.00 C ATOM 100 CE LYS A 7 61.645 -12.119 8.735 1.00 1.00 C ATOM 101 NZ LYS A 7 61.845 -12.023 10.209 1.00 1.00 N ATOM 0 H LYS A 7 58.818 -14.670 8.358 1.00 1.00 H new ATOM 0 HA LYS A 7 59.485 -16.452 10.650 1.00 1.00 H new ATOM 0 HB2 LYS A 7 61.125 -14.157 10.956 1.00 1.00 H new ATOM 0 HB3 LYS A 7 61.658 -15.803 10.682 1.00 1.00 H new ATOM 0 HG2 LYS A 7 62.609 -14.430 8.906 1.00 1.00 H new ATOM 0 HG3 LYS A 7 61.363 -15.427 8.181 1.00 1.00 H new ATOM 0 HD2 LYS A 7 60.610 -13.409 7.343 1.00 1.00 H new ATOM 0 HD3 LYS A 7 59.830 -13.282 8.908 1.00 1.00 H new ATOM 0 HE2 LYS A 7 62.609 -12.184 8.230 1.00 1.00 H new ATOM 0 HE3 LYS A 7 61.151 -11.221 8.365 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 62.174 -11.067 10.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 60.945 -12.214 10.695 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 62.555 -12.721 10.509 1.00 1.00 H new ATOM 115 N ALA A 8 57.950 -13.655 10.219 1.00 1.00 N ATOM 116 CA ALA A 8 57.056 -12.662 10.882 1.00 1.00 C ATOM 117 C ALA A 8 56.569 -11.646 9.844 1.00 1.00 C ATOM 118 O ALA A 8 56.245 -10.521 10.167 1.00 1.00 O ATOM 119 CB ALA A 8 57.829 -11.938 11.992 1.00 1.00 C ATOM 0 H ALA A 8 57.941 -13.632 9.199 1.00 1.00 H new ATOM 0 HA ALA A 8 56.198 -13.175 11.317 1.00 1.00 H new ATOM 0 HB1 ALA A 8 57.176 -11.212 12.477 1.00 1.00 H new ATOM 0 HB2 ALA A 8 58.174 -12.664 12.728 1.00 1.00 H new ATOM 0 HB3 ALA A 8 58.687 -11.423 11.561 1.00 1.00 H new ATOM 125 N GLU A 9 56.516 -12.035 8.599 1.00 1.00 N ATOM 126 CA GLU A 9 56.051 -11.093 7.542 1.00 1.00 C ATOM 127 C GLU A 9 56.962 -9.862 7.520 1.00 1.00 C ATOM 128 O GLU A 9 58.160 -9.969 7.350 1.00 1.00 O ATOM 129 CB GLU A 9 54.610 -10.667 7.836 1.00 1.00 C ATOM 130 CG GLU A 9 53.997 -10.040 6.582 1.00 1.00 C ATOM 131 CD GLU A 9 53.686 -11.137 5.562 1.00 1.00 C ATOM 132 OE1 GLU A 9 52.801 -11.933 5.829 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.339 -11.163 4.532 1.00 1.00 O ATOM 0 H GLU A 9 56.775 -12.965 8.268 1.00 1.00 H new ATOM 0 HA GLU A 9 56.089 -11.586 6.570 1.00 1.00 H new ATOM 0 HB2 GLU A 9 54.021 -11.529 8.149 1.00 1.00 H new ATOM 0 HB3 GLU A 9 54.591 -9.952 8.659 1.00 1.00 H new ATOM 0 HG2 GLU A 9 53.086 -9.500 6.841 1.00 1.00 H new ATOM 0 HG3 GLU A 9 54.686 -9.314 6.152 1.00 1.00 H new ATOM 140 N CYS A 10 56.405 -8.693 7.689 1.00 1.00 N ATOM 141 CA CYS A 10 57.241 -7.458 7.676 1.00 1.00 C ATOM 142 C CYS A 10 56.617 -6.411 8.602 1.00 1.00 C ATOM 143 O CYS A 10 56.703 -5.223 8.362 1.00 1.00 O ATOM 144 CB CYS A 10 57.313 -6.910 6.247 1.00 1.00 C ATOM 145 SG CYS A 10 58.725 -7.650 5.390 1.00 1.00 S ATOM 0 H CYS A 10 55.407 -8.540 7.835 1.00 1.00 H new ATOM 0 HA CYS A 10 58.247 -7.691 8.024 1.00 1.00 H new ATOM 0 HB2 CYS A 10 56.390 -7.135 5.712 1.00 1.00 H new ATOM 0 HB3 CYS A 10 57.413 -5.825 6.266 1.00 1.00 H new ATOM 150 N ARG A 11 55.995 -6.846 9.664 1.00 1.00 N ATOM 151 CA ARG A 11 55.368 -5.885 10.617 1.00 1.00 C ATOM 152 C ARG A 11 54.323 -5.034 9.889 1.00 1.00 C ATOM 153 O ARG A 11 53.135 -5.262 10.006 1.00 1.00 O ATOM 154 CB ARG A 11 56.450 -4.975 11.208 1.00 1.00 C ATOM 155 CG ARG A 11 55.904 -4.275 12.454 1.00 1.00 C ATOM 156 CD ARG A 11 57.018 -3.455 13.108 1.00 1.00 C ATOM 157 NE ARG A 11 56.546 -2.938 14.424 1.00 1.00 N ATOM 158 CZ ARG A 11 55.650 -1.991 14.469 1.00 1.00 C ATOM 159 NH1 ARG A 11 55.166 -1.496 13.362 1.00 1.00 N ATOM 160 NH2 ARG A 11 55.237 -1.538 15.621 1.00 1.00 N ATOM 0 H ARG A 11 55.894 -7.830 9.914 1.00 1.00 H new ATOM 0 HA ARG A 11 54.880 -6.440 11.418 1.00 1.00 H new ATOM 0 HB2 ARG A 11 57.333 -5.561 11.465 1.00 1.00 H new ATOM 0 HB3 ARG A 11 56.762 -4.236 10.470 1.00 1.00 H new ATOM 0 HG2 ARG A 11 55.071 -3.626 12.184 1.00 1.00 H new ATOM 0 HG3 ARG A 11 55.519 -5.012 13.159 1.00 1.00 H new ATOM 0 HD2 ARG A 11 57.906 -4.072 13.245 1.00 1.00 H new ATOM 0 HD3 ARG A 11 57.302 -2.626 12.460 1.00 1.00 H new ATOM 0 HE ARG A 11 56.924 -3.325 15.289 1.00 1.00 H new ATOM 0 HH11 ARG A 11 55.488 -1.850 12.461 1.00 1.00 H new ATOM 0 HH12 ARG A 11 54.465 -0.756 13.398 1.00 1.00 H new ATOM 0 HH21 ARG A 11 55.615 -1.924 16.486 1.00 1.00 H new ATOM 0 HH22 ARG A 11 54.536 -0.798 15.656 1.00 1.00 H new ATOM 174 N SER A 12 54.752 -4.048 9.147 1.00 1.00 N ATOM 175 CA SER A 12 53.779 -3.180 8.423 1.00 1.00 C ATOM 176 C SER A 12 53.489 -3.766 7.039 1.00 1.00 C ATOM 177 O SER A 12 52.381 -3.696 6.547 1.00 1.00 O ATOM 178 CB SER A 12 54.369 -1.779 8.267 1.00 1.00 C ATOM 179 OG SER A 12 53.540 -1.015 7.402 1.00 1.00 O ATOM 0 H SER A 12 55.734 -3.806 9.011 1.00 1.00 H new ATOM 0 HA SER A 12 52.851 -3.127 8.992 1.00 1.00 H new ATOM 0 HB2 SER A 12 54.445 -1.293 9.240 1.00 1.00 H new ATOM 0 HB3 SER A 12 55.379 -1.840 7.862 1.00 1.00 H new ATOM 0 HG SER A 12 54.086 -0.619 6.691 1.00 1.00 H new ATOM 185 N ALA A 13 54.477 -4.339 6.406 1.00 1.00 N ATOM 186 CA ALA A 13 54.258 -4.924 5.052 1.00 1.00 C ATOM 187 C ALA A 13 54.084 -3.796 4.032 1.00 1.00 C ATOM 188 O ALA A 13 53.379 -3.936 3.052 1.00 1.00 O ATOM 189 CB ALA A 13 53.003 -5.806 5.067 1.00 1.00 C ATOM 0 H ALA A 13 55.426 -4.427 6.768 1.00 1.00 H new ATOM 0 HA ALA A 13 55.119 -5.532 4.776 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.846 -6.232 4.076 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.132 -6.610 5.791 1.00 1.00 H new ATOM 0 HB3 ALA A 13 52.138 -5.203 5.344 1.00 1.00 H new ATOM 195 N THR A 14 54.723 -2.680 4.252 1.00 1.00 N ATOM 196 CA THR A 14 54.596 -1.548 3.293 1.00 1.00 C ATOM 197 C THR A 14 55.268 -1.927 1.972 1.00 1.00 C ATOM 198 O THR A 14 56.322 -1.425 1.633 1.00 1.00 O ATOM 199 CB THR A 14 55.277 -0.307 3.878 1.00 1.00 C ATOM 200 OG1 THR A 14 54.767 -0.059 5.180 1.00 1.00 O ATOM 201 CG2 THR A 14 55.000 0.900 2.981 1.00 1.00 C ATOM 0 H THR A 14 55.327 -2.504 5.054 1.00 1.00 H new ATOM 0 HA THR A 14 53.542 -1.333 3.116 1.00 1.00 H new ATOM 0 HB THR A 14 56.353 -0.475 3.934 1.00 1.00 H new ATOM 0 HG1 THR A 14 55.203 0.734 5.557 1.00 1.00 H new ATOM 0 HG21 THR A 14 55.485 1.782 3.398 1.00 1.00 H new ATOM 0 HG22 THR A 14 55.392 0.709 1.982 1.00 1.00 H new ATOM 0 HG23 THR A 14 53.925 1.071 2.922 1.00 1.00 H new ATOM 209 N ARG A 15 54.667 -2.811 1.222 1.00 1.00 N ATOM 210 CA ARG A 15 55.272 -3.222 -0.076 1.00 1.00 C ATOM 211 C ARG A 15 54.964 -2.167 -1.140 1.00 1.00 C ATOM 212 O ARG A 15 53.822 -1.843 -1.395 1.00 1.00 O ATOM 213 CB ARG A 15 54.689 -4.571 -0.508 1.00 1.00 C ATOM 214 CG ARG A 15 55.617 -5.225 -1.534 1.00 1.00 C ATOM 215 CD ARG A 15 54.895 -6.396 -2.202 1.00 1.00 C ATOM 216 NE ARG A 15 54.707 -7.493 -1.212 1.00 1.00 N ATOM 217 CZ ARG A 15 53.631 -7.529 -0.475 1.00 1.00 C ATOM 218 NH1 ARG A 15 52.720 -6.604 -0.605 1.00 1.00 N ATOM 219 NH2 ARG A 15 53.465 -8.490 0.393 1.00 1.00 N ATOM 0 H ARG A 15 53.784 -3.266 1.453 1.00 1.00 H new ATOM 0 HA ARG A 15 56.352 -3.315 0.040 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.571 -5.222 0.358 1.00 1.00 H new ATOM 0 HB3 ARG A 15 53.697 -4.429 -0.938 1.00 1.00 H new ATOM 0 HG2 ARG A 15 55.919 -4.494 -2.284 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.527 -5.575 -1.046 1.00 1.00 H new ATOM 0 HD2 ARG A 15 53.929 -6.070 -2.587 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.473 -6.755 -3.054 1.00 1.00 H new ATOM 0 HE ARG A 15 55.419 -8.216 -1.110 1.00 1.00 H new ATOM 0 HH11 ARG A 15 52.849 -5.853 -1.283 1.00 1.00 H new ATOM 0 HH12 ARG A 15 51.879 -6.632 -0.029 1.00 1.00 H new ATOM 0 HH21 ARG A 15 54.177 -9.213 0.495 1.00 1.00 H new ATOM 0 HH22 ARG A 15 52.624 -8.517 0.969 1.00 1.00 H new ATOM 233 N VAL A 16 55.977 -1.628 -1.761 1.00 1.00 N ATOM 234 CA VAL A 16 55.748 -0.592 -2.809 1.00 1.00 C ATOM 235 C VAL A 16 56.922 -0.597 -3.789 1.00 1.00 C ATOM 236 O VAL A 16 56.987 0.204 -4.700 1.00 1.00 O ATOM 237 CB VAL A 16 55.643 0.785 -2.150 1.00 1.00 C ATOM 238 CG1 VAL A 16 54.376 0.847 -1.295 1.00 1.00 C ATOM 239 CG2 VAL A 16 56.868 1.019 -1.263 1.00 1.00 C ATOM 0 H VAL A 16 56.955 -1.860 -1.588 1.00 1.00 H new ATOM 0 HA VAL A 16 54.823 -0.811 -3.343 1.00 1.00 H new ATOM 0 HB VAL A 16 55.599 1.554 -2.921 1.00 1.00 H new ATOM 0 HG11 VAL A 16 54.301 1.828 -0.826 1.00 1.00 H new ATOM 0 HG12 VAL A 16 53.503 0.679 -1.926 1.00 1.00 H new ATOM 0 HG13 VAL A 16 54.420 0.078 -0.524 1.00 1.00 H new ATOM 0 HG21 VAL A 16 56.795 2.000 -0.793 1.00 1.00 H new ATOM 0 HG22 VAL A 16 56.912 0.249 -0.492 1.00 1.00 H new ATOM 0 HG23 VAL A 16 57.771 0.975 -1.871 1.00 1.00 H new ATOM 249 N MET A 17 57.853 -1.494 -3.608 1.00 1.00 N ATOM 250 CA MET A 17 59.025 -1.550 -4.526 1.00 1.00 C ATOM 251 C MET A 17 58.552 -1.871 -5.945 1.00 1.00 C ATOM 252 O MET A 17 58.344 -0.990 -6.755 1.00 1.00 O ATOM 253 CB MET A 17 59.991 -2.638 -4.052 1.00 1.00 C ATOM 254 CG MET A 17 60.562 -2.255 -2.685 1.00 1.00 C ATOM 255 SD MET A 17 61.780 -0.932 -2.889 1.00 1.00 S ATOM 256 CE MET A 17 62.580 -1.110 -1.276 1.00 1.00 C ATOM 0 H MET A 17 57.852 -2.191 -2.863 1.00 1.00 H new ATOM 0 HA MET A 17 59.532 -0.585 -4.524 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.473 -3.595 -3.986 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.799 -2.761 -4.774 1.00 1.00 H new ATOM 0 HG2 MET A 17 59.760 -1.927 -2.023 1.00 1.00 H new ATOM 0 HG3 MET A 17 61.027 -3.123 -2.217 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.446 -0.451 -1.225 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.875 -0.844 -0.489 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.902 -2.143 -1.141 1.00 1.00 H new ATOM 266 N GLY A 18 58.385 -3.129 -6.254 1.00 1.00 N ATOM 267 CA GLY A 18 57.930 -3.508 -7.623 1.00 1.00 C ATOM 268 C GLY A 18 59.143 -3.614 -8.549 1.00 1.00 C ATOM 269 O GLY A 18 60.269 -3.429 -8.133 1.00 1.00 O ATOM 0 H GLY A 18 58.544 -3.910 -5.618 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.398 -4.459 -7.591 1.00 1.00 H new ATOM 0 HA3 GLY A 18 57.231 -2.764 -8.005 1.00 1.00 H new ATOM 273 N GLY A 19 58.925 -3.912 -9.801 1.00 1.00 N ATOM 274 CA GLY A 19 60.071 -4.028 -10.745 1.00 1.00 C ATOM 275 C GLY A 19 60.768 -5.376 -10.538 1.00 1.00 C ATOM 276 O GLY A 19 61.756 -5.468 -9.836 1.00 1.00 O ATOM 0 H GLY A 19 58.005 -4.080 -10.209 1.00 1.00 H new ATOM 0 HA2 GLY A 19 59.719 -3.942 -11.773 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.776 -3.213 -10.580 1.00 1.00 H new ATOM 280 N PRO A 20 60.255 -6.417 -11.141 1.00 1.00 N ATOM 281 CA PRO A 20 60.836 -7.786 -11.017 1.00 1.00 C ATOM 282 C PRO A 20 62.355 -7.795 -11.220 1.00 1.00 C ATOM 283 O PRO A 20 62.846 -7.661 -12.323 1.00 1.00 O ATOM 284 CB PRO A 20 60.136 -8.575 -12.127 1.00 1.00 C ATOM 285 CG PRO A 20 58.829 -7.884 -12.328 1.00 1.00 C ATOM 286 CD PRO A 20 59.063 -6.406 -12.005 1.00 1.00 C ATOM 0 HA PRO A 20 60.683 -8.205 -10.022 1.00 1.00 H new ATOM 0 HB2 PRO A 20 60.727 -8.576 -13.043 1.00 1.00 H new ATOM 0 HB3 PRO A 20 59.992 -9.617 -11.840 1.00 1.00 H new ATOM 0 HG2 PRO A 20 58.480 -8.006 -13.353 1.00 1.00 H new ATOM 0 HG3 PRO A 20 58.063 -8.306 -11.678 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.230 -5.821 -12.909 1.00 1.00 H new ATOM 0 HD3 PRO A 20 58.205 -5.967 -11.496 1.00 1.00 H new ATOM 294 N CYS A 21 63.102 -7.953 -10.160 1.00 1.00 N ATOM 295 CA CYS A 21 64.586 -7.974 -10.288 1.00 1.00 C ATOM 296 C CYS A 21 65.013 -9.228 -11.056 1.00 1.00 C ATOM 297 O CYS A 21 65.090 -10.306 -10.503 1.00 1.00 O ATOM 298 CB CYS A 21 65.217 -7.993 -8.893 1.00 1.00 C ATOM 299 SG CYS A 21 65.152 -6.331 -8.178 1.00 1.00 S ATOM 0 H CYS A 21 62.747 -8.068 -9.211 1.00 1.00 H new ATOM 0 HA CYS A 21 64.918 -7.086 -10.826 1.00 1.00 H new ATOM 0 HB2 CYS A 21 64.687 -8.697 -8.252 1.00 1.00 H new ATOM 0 HB3 CYS A 21 66.251 -8.334 -8.954 1.00 1.00 H new ATOM 304 N THR A 22 65.293 -9.094 -12.324 1.00 1.00 N ATOM 305 CA THR A 22 65.714 -10.279 -13.129 1.00 1.00 C ATOM 306 C THR A 22 66.873 -10.996 -12.422 1.00 1.00 C ATOM 307 O THR A 22 67.979 -10.495 -12.386 1.00 1.00 O ATOM 308 CB THR A 22 66.183 -9.806 -14.508 1.00 1.00 C ATOM 309 OG1 THR A 22 65.079 -9.268 -15.222 1.00 1.00 O ATOM 310 CG2 THR A 22 66.769 -10.987 -15.283 1.00 1.00 C ATOM 0 H THR A 22 65.249 -8.215 -12.839 1.00 1.00 H new ATOM 0 HA THR A 22 64.873 -10.965 -13.236 1.00 1.00 H new ATOM 0 HB THR A 22 66.948 -9.039 -14.389 1.00 1.00 H new ATOM 0 HG1 THR A 22 65.377 -8.963 -16.104 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.102 -10.649 -16.264 1.00 1.00 H new ATOM 0 HG22 THR A 22 67.616 -11.398 -14.734 1.00 1.00 H new ATOM 0 HG23 THR A 22 66.007 -11.757 -15.404 1.00 1.00 H new ATOM 318 N PRO A 23 66.632 -12.161 -11.863 1.00 1.00 N ATOM 319 CA PRO A 23 67.693 -12.940 -11.152 1.00 1.00 C ATOM 320 C PRO A 23 68.909 -13.214 -12.048 1.00 1.00 C ATOM 321 O PRO A 23 69.161 -14.334 -12.445 1.00 1.00 O ATOM 322 CB PRO A 23 67.000 -14.257 -10.768 1.00 1.00 C ATOM 323 CG PRO A 23 65.537 -13.958 -10.797 1.00 1.00 C ATOM 324 CD PRO A 23 65.336 -12.856 -11.841 1.00 1.00 C ATOM 0 HA PRO A 23 68.084 -12.394 -10.293 1.00 1.00 H new ATOM 0 HB2 PRO A 23 67.252 -15.053 -11.469 1.00 1.00 H new ATOM 0 HB3 PRO A 23 67.313 -14.592 -9.779 1.00 1.00 H new ATOM 0 HG2 PRO A 23 64.965 -14.848 -11.058 1.00 1.00 H new ATOM 0 HG3 PRO A 23 65.189 -13.631 -9.817 1.00 1.00 H new ATOM 0 HD2 PRO A 23 65.086 -13.270 -12.818 1.00 1.00 H new ATOM 0 HD3 PRO A 23 64.525 -12.183 -11.563 1.00 1.00 H new ATOM 332 N ARG A 24 69.666 -12.201 -12.369 1.00 1.00 N ATOM 333 CA ARG A 24 70.858 -12.414 -13.237 1.00 1.00 C ATOM 334 C ARG A 24 71.699 -11.137 -13.282 1.00 1.00 C ATOM 335 O ARG A 24 71.178 -10.041 -13.353 1.00 1.00 O ATOM 336 CB ARG A 24 70.400 -12.773 -14.653 1.00 1.00 C ATOM 337 CG ARG A 24 71.575 -13.356 -15.440 1.00 1.00 C ATOM 338 CD ARG A 24 71.931 -14.735 -14.880 1.00 1.00 C ATOM 339 NE ARG A 24 72.440 -15.601 -15.981 1.00 1.00 N ATOM 340 CZ ARG A 24 72.480 -16.896 -15.826 1.00 1.00 C ATOM 341 NH1 ARG A 24 72.074 -17.433 -14.707 1.00 1.00 N ATOM 342 NH2 ARG A 24 72.925 -17.655 -16.789 1.00 1.00 N ATOM 0 H ARG A 24 69.511 -11.238 -12.069 1.00 1.00 H new ATOM 0 HA ARG A 24 71.459 -13.227 -12.830 1.00 1.00 H new ATOM 0 HB2 ARG A 24 69.584 -13.495 -14.610 1.00 1.00 H new ATOM 0 HB3 ARG A 24 70.015 -11.887 -15.157 1.00 1.00 H new ATOM 0 HG2 ARG A 24 71.315 -13.436 -16.496 1.00 1.00 H new ATOM 0 HG3 ARG A 24 72.436 -12.691 -15.374 1.00 1.00 H new ATOM 0 HD2 ARG A 24 72.686 -14.639 -14.100 1.00 1.00 H new ATOM 0 HD3 ARG A 24 71.054 -15.190 -14.420 1.00 1.00 H new ATOM 0 HE ARG A 24 72.757 -15.182 -16.855 1.00 1.00 H new ATOM 0 HH11 ARG A 24 71.725 -16.840 -13.954 1.00 1.00 H new ATOM 0 HH12 ARG A 24 72.105 -18.445 -14.586 1.00 1.00 H new ATOM 0 HH21 ARG A 24 73.242 -17.236 -17.663 1.00 1.00 H new ATOM 0 HH22 ARG A 24 72.956 -18.667 -16.668 1.00 1.00 H new ATOM 356 N LYS A 25 72.997 -11.270 -13.244 1.00 1.00 N ATOM 357 CA LYS A 25 73.873 -10.065 -13.288 1.00 1.00 C ATOM 358 C LYS A 25 74.007 -9.602 -14.742 1.00 1.00 C ATOM 359 O LYS A 25 74.058 -10.402 -15.655 1.00 1.00 O ATOM 360 CB LYS A 25 75.261 -10.421 -12.729 1.00 1.00 C ATOM 361 CG LYS A 25 75.319 -10.080 -11.239 1.00 1.00 C ATOM 362 CD LYS A 25 74.492 -11.097 -10.449 1.00 1.00 C ATOM 363 CE LYS A 25 75.398 -12.233 -9.972 1.00 1.00 C ATOM 364 NZ LYS A 25 75.889 -13.005 -11.149 1.00 1.00 N ATOM 0 H LYS A 25 73.489 -12.162 -13.184 1.00 1.00 H new ATOM 0 HA LYS A 25 73.438 -9.267 -12.686 1.00 1.00 H new ATOM 0 HB2 LYS A 25 75.462 -11.482 -12.877 1.00 1.00 H new ATOM 0 HB3 LYS A 25 76.033 -9.872 -13.268 1.00 1.00 H new ATOM 0 HG2 LYS A 25 76.353 -10.089 -10.893 1.00 1.00 H new ATOM 0 HG3 LYS A 25 74.935 -9.074 -11.070 1.00 1.00 H new ATOM 0 HD2 LYS A 25 74.019 -10.612 -9.595 1.00 1.00 H new ATOM 0 HD3 LYS A 25 73.692 -11.494 -11.073 1.00 1.00 H new ATOM 0 HE2 LYS A 25 76.241 -11.829 -9.411 1.00 1.00 H new ATOM 0 HE3 LYS A 25 74.851 -12.890 -9.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 76.271 -13.918 -10.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 75.102 -13.170 -11.809 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 76.637 -12.466 -11.630 1.00 1.00 H new ATOM 378 N GLY A 26 74.064 -8.317 -14.965 1.00 1.00 N ATOM 379 CA GLY A 26 74.193 -7.811 -16.361 1.00 1.00 C ATOM 380 C GLY A 26 74.629 -6.344 -16.344 1.00 1.00 C ATOM 381 O GLY A 26 75.682 -5.997 -16.842 1.00 1.00 O ATOM 0 H GLY A 26 74.027 -7.598 -14.243 1.00 1.00 H new ATOM 0 HA2 GLY A 26 74.921 -8.410 -16.908 1.00 1.00 H new ATOM 0 HA3 GLY A 26 73.241 -7.911 -16.883 1.00 1.00 H new ATOM 385 N PRO A 27 73.821 -5.490 -15.777 1.00 1.00 N ATOM 386 CA PRO A 27 74.118 -4.032 -15.694 1.00 1.00 C ATOM 387 C PRO A 27 75.569 -3.758 -15.267 1.00 1.00 C ATOM 388 O PRO A 27 76.105 -4.440 -14.417 1.00 1.00 O ATOM 389 CB PRO A 27 73.140 -3.530 -14.631 1.00 1.00 C ATOM 390 CG PRO A 27 71.978 -4.465 -14.700 1.00 1.00 C ATOM 391 CD PRO A 27 72.530 -5.820 -15.151 1.00 1.00 C ATOM 0 HA PRO A 27 74.007 -3.536 -16.658 1.00 1.00 H new ATOM 0 HB2 PRO A 27 73.595 -3.539 -13.641 1.00 1.00 H new ATOM 0 HB3 PRO A 27 72.833 -2.504 -14.831 1.00 1.00 H new ATOM 0 HG2 PRO A 27 71.491 -4.549 -13.729 1.00 1.00 H new ATOM 0 HG3 PRO A 27 71.228 -4.100 -15.402 1.00 1.00 H new ATOM 0 HD2 PRO A 27 72.658 -6.499 -14.308 1.00 1.00 H new ATOM 0 HD3 PRO A 27 71.858 -6.310 -15.856 1.00 1.00 H new ATOM 399 N PRO A 28 76.201 -2.768 -15.849 1.00 1.00 N ATOM 400 CA PRO A 28 77.607 -2.408 -15.516 1.00 1.00 C ATOM 401 C PRO A 28 77.892 -2.493 -14.013 1.00 1.00 C ATOM 402 O PRO A 28 77.001 -2.381 -13.195 1.00 1.00 O ATOM 403 CB PRO A 28 77.727 -0.964 -16.003 1.00 1.00 C ATOM 404 CG PRO A 28 76.759 -0.854 -17.136 1.00 1.00 C ATOM 405 CD PRO A 28 75.647 -1.880 -16.884 1.00 1.00 C ATOM 0 HA PRO A 28 78.322 -3.089 -15.978 1.00 1.00 H new ATOM 0 HB2 PRO A 28 77.485 -0.258 -15.208 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.743 -0.741 -16.329 1.00 1.00 H new ATOM 0 HG2 PRO A 28 76.347 0.153 -17.194 1.00 1.00 H new ATOM 0 HG3 PRO A 28 77.255 -1.050 -18.086 1.00 1.00 H new ATOM 0 HD2 PRO A 28 74.730 -1.398 -16.546 1.00 1.00 H new ATOM 0 HD3 PRO A 28 75.401 -2.431 -17.792 1.00 1.00 H new ATOM 413 N LYS A 29 79.130 -2.686 -13.645 1.00 1.00 N ATOM 414 CA LYS A 29 79.473 -2.772 -12.197 1.00 1.00 C ATOM 415 C LYS A 29 79.623 -1.358 -11.632 1.00 1.00 C ATOM 416 O LYS A 29 79.697 -1.159 -10.435 1.00 1.00 O ATOM 417 CB LYS A 29 80.790 -3.535 -12.029 1.00 1.00 C ATOM 418 CG LYS A 29 80.946 -3.973 -10.571 1.00 1.00 C ATOM 419 CD LYS A 29 82.160 -4.895 -10.442 1.00 1.00 C ATOM 420 CE LYS A 29 82.408 -5.208 -8.965 1.00 1.00 C ATOM 421 NZ LYS A 29 82.849 -3.971 -8.262 1.00 1.00 N ATOM 0 H LYS A 29 79.918 -2.788 -14.285 1.00 1.00 H new ATOM 0 HA LYS A 29 78.682 -3.297 -11.662 1.00 1.00 H new ATOM 0 HB2 LYS A 29 80.804 -4.406 -12.685 1.00 1.00 H new ATOM 0 HB3 LYS A 29 81.628 -2.903 -12.321 1.00 1.00 H new ATOM 0 HG2 LYS A 29 81.069 -3.101 -9.929 1.00 1.00 H new ATOM 0 HG3 LYS A 29 80.046 -4.490 -10.237 1.00 1.00 H new ATOM 0 HD2 LYS A 29 81.990 -5.818 -10.997 1.00 1.00 H new ATOM 0 HD3 LYS A 29 83.039 -4.419 -10.877 1.00 1.00 H new ATOM 0 HE2 LYS A 29 81.498 -5.595 -8.506 1.00 1.00 H new ATOM 0 HE3 LYS A 29 83.168 -5.984 -8.869 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 83.363 -4.229 -7.395 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 83.475 -3.422 -8.885 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 82.018 -3.398 -8.014 1.00 1.00 H new ATOM 435 N CYS A 30 79.666 -0.374 -12.488 1.00 1.00 N ATOM 436 CA CYS A 30 79.810 1.032 -12.014 1.00 1.00 C ATOM 437 C CYS A 30 79.095 1.970 -12.989 1.00 1.00 C ATOM 438 O CYS A 30 77.913 2.223 -12.871 1.00 1.00 O ATOM 439 CB CYS A 30 81.294 1.400 -11.948 1.00 1.00 C ATOM 440 SG CYS A 30 81.985 0.844 -10.370 1.00 1.00 S ATOM 0 H CYS A 30 79.607 -0.484 -13.500 1.00 1.00 H new ATOM 0 HA CYS A 30 79.369 1.130 -11.022 1.00 1.00 H new ATOM 0 HB2 CYS A 30 81.831 0.937 -12.776 1.00 1.00 H new ATOM 0 HB3 CYS A 30 81.417 2.478 -12.051 1.00 1.00 H new ATOM 445 N LYS A 31 79.809 2.485 -13.952 1.00 1.00 N ATOM 446 CA LYS A 31 79.180 3.406 -14.941 1.00 1.00 C ATOM 447 C LYS A 31 78.492 4.556 -14.204 1.00 1.00 C ATOM 448 O LYS A 31 79.072 5.191 -13.345 1.00 1.00 O ATOM 449 CB LYS A 31 78.148 2.634 -15.773 1.00 1.00 C ATOM 450 CG LYS A 31 77.881 3.380 -17.082 1.00 1.00 C ATOM 451 CD LYS A 31 78.892 2.934 -18.140 1.00 1.00 C ATOM 452 CE LYS A 31 78.794 3.853 -19.359 1.00 1.00 C ATOM 453 NZ LYS A 31 79.410 5.171 -19.038 1.00 1.00 N ATOM 0 H LYS A 31 80.803 2.307 -14.097 1.00 1.00 H new ATOM 0 HA LYS A 31 79.947 3.810 -15.601 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.514 1.629 -15.984 1.00 1.00 H new ATOM 0 HB3 LYS A 31 77.221 2.524 -15.210 1.00 1.00 H new ATOM 0 HG2 LYS A 31 76.866 3.180 -17.426 1.00 1.00 H new ATOM 0 HG3 LYS A 31 77.957 4.455 -16.922 1.00 1.00 H new ATOM 0 HD2 LYS A 31 79.901 2.964 -17.729 1.00 1.00 H new ATOM 0 HD3 LYS A 31 78.697 1.902 -18.433 1.00 1.00 H new ATOM 0 HE2 LYS A 31 79.301 3.400 -20.211 1.00 1.00 H new ATOM 0 HE3 LYS A 31 77.750 3.987 -19.644 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 79.638 5.672 -19.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 78.742 5.740 -18.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 80.281 5.023 -18.490 1.00 1.00 H new ATOM 467 N GLN A 32 77.259 4.833 -14.533 1.00 1.00 N ATOM 468 CA GLN A 32 76.536 5.944 -13.852 1.00 1.00 C ATOM 469 C GLN A 32 75.042 5.618 -13.784 1.00 1.00 C ATOM 470 O GLN A 32 74.272 6.014 -14.637 1.00 1.00 O ATOM 471 CB GLN A 32 76.740 7.241 -14.640 1.00 1.00 C ATOM 472 CG GLN A 32 76.392 8.439 -13.754 1.00 1.00 C ATOM 473 CD GLN A 32 77.590 8.785 -12.869 1.00 1.00 C ATOM 474 OE1 GLN A 32 78.273 7.908 -12.380 1.00 1.00 O ATOM 475 NE2 GLN A 32 77.877 10.038 -12.641 1.00 1.00 N ATOM 0 H GLN A 32 76.721 4.337 -15.244 1.00 1.00 H new ATOM 0 HA GLN A 32 76.926 6.066 -12.841 1.00 1.00 H new ATOM 0 HB2 GLN A 32 77.773 7.314 -14.979 1.00 1.00 H new ATOM 0 HB3 GLN A 32 76.112 7.240 -15.531 1.00 1.00 H new ATOM 0 HG2 GLN A 32 76.124 9.296 -14.372 1.00 1.00 H new ATOM 0 HG3 GLN A 32 75.525 8.208 -13.136 1.00 1.00 H new ATOM 0 HE21 GLN A 32 77.304 10.775 -13.051 1.00 1.00 H new ATOM 0 HE22 GLN A 32 78.674 10.280 -12.053 1.00 1.00 H new ATOM 484 N ARG A 33 74.626 4.905 -12.775 1.00 1.00 N ATOM 485 CA ARG A 33 73.181 4.561 -12.653 1.00 1.00 C ATOM 486 C ARG A 33 72.435 5.742 -12.030 1.00 1.00 C ATOM 487 O ARG A 33 71.234 5.705 -11.848 1.00 1.00 O ATOM 488 CB ARG A 33 73.021 3.327 -11.763 1.00 1.00 C ATOM 489 CG ARG A 33 74.061 2.276 -12.156 1.00 1.00 C ATOM 490 CD ARG A 33 73.724 0.946 -11.478 1.00 1.00 C ATOM 491 NE ARG A 33 74.897 0.032 -11.566 1.00 1.00 N ATOM 492 CZ ARG A 33 75.892 0.166 -10.732 1.00 1.00 C ATOM 493 NH1 ARG A 33 75.859 1.099 -9.821 1.00 1.00 N ATOM 494 NH2 ARG A 33 76.920 -0.635 -10.809 1.00 1.00 N ATOM 0 H ARG A 33 75.223 4.546 -12.030 1.00 1.00 H new ATOM 0 HA ARG A 33 72.771 4.347 -13.640 1.00 1.00 H new ATOM 0 HB2 ARG A 33 73.145 3.602 -10.716 1.00 1.00 H new ATOM 0 HB3 ARG A 33 72.016 2.917 -11.868 1.00 1.00 H new ATOM 0 HG2 ARG A 33 74.076 2.151 -13.239 1.00 1.00 H new ATOM 0 HG3 ARG A 33 75.057 2.606 -11.859 1.00 1.00 H new ATOM 0 HD2 ARG A 33 73.459 1.115 -10.434 1.00 1.00 H new ATOM 0 HD3 ARG A 33 72.858 0.490 -11.958 1.00 1.00 H new ATOM 0 HE ARG A 33 74.923 -0.698 -12.278 1.00 1.00 H new ATOM 0 HH11 ARG A 33 75.055 1.724 -9.760 1.00 1.00 H new ATOM 0 HH12 ARG A 33 76.637 1.203 -9.169 1.00 1.00 H new ATOM 0 HH21 ARG A 33 76.945 -1.365 -11.521 1.00 1.00 H new ATOM 0 HH22 ARG A 33 77.698 -0.531 -10.157 1.00 1.00 H new ATOM 508 N GLN A 34 73.140 6.792 -11.702 1.00 1.00 N ATOM 509 CA GLN A 34 72.476 7.979 -11.091 1.00 1.00 C ATOM 510 C GLN A 34 73.346 9.221 -11.321 1.00 1.00 C ATOM 511 O GLN A 34 73.322 9.814 -12.381 1.00 1.00 O ATOM 512 CB GLN A 34 72.281 7.741 -9.584 1.00 1.00 C ATOM 513 CG GLN A 34 73.308 6.720 -9.090 1.00 1.00 C ATOM 514 CD GLN A 34 74.712 7.166 -9.502 1.00 1.00 C ATOM 515 OE1 GLN A 34 75.268 8.075 -8.919 1.00 1.00 O ATOM 516 NE2 GLN A 34 75.312 6.560 -10.490 1.00 1.00 N ATOM 0 H GLN A 34 74.148 6.878 -11.831 1.00 1.00 H new ATOM 0 HA GLN A 34 71.501 8.134 -11.553 1.00 1.00 H new ATOM 0 HB2 GLN A 34 72.394 8.679 -9.040 1.00 1.00 H new ATOM 0 HB3 GLN A 34 71.271 7.380 -9.390 1.00 1.00 H new ATOM 0 HG2 GLN A 34 73.249 6.625 -8.006 1.00 1.00 H new ATOM 0 HG3 GLN A 34 73.090 5.738 -9.509 1.00 1.00 H new ATOM 0 HE22 GLN A 34 76.248 6.850 -10.773 1.00 1.00 H new ATOM 525 N THR A 35 74.114 9.618 -10.339 1.00 1.00 N ATOM 526 CA THR A 35 74.984 10.821 -10.502 1.00 1.00 C ATOM 527 C THR A 35 76.388 10.506 -9.979 1.00 1.00 C ATOM 528 O THR A 35 76.997 9.526 -10.360 1.00 1.00 O ATOM 529 CB THR A 35 74.392 11.991 -9.711 1.00 1.00 C ATOM 530 OG1 THR A 35 72.984 12.019 -9.894 1.00 1.00 O ATOM 531 CG2 THR A 35 74.999 13.304 -10.207 1.00 1.00 C ATOM 0 H THR A 35 74.176 9.160 -9.430 1.00 1.00 H new ATOM 0 HA THR A 35 75.041 11.091 -11.557 1.00 1.00 H new ATOM 0 HB THR A 35 74.619 11.866 -8.652 1.00 1.00 H new ATOM 0 HG1 THR A 35 72.603 12.766 -9.387 1.00 1.00 H new ATOM 0 HG21 THR A 35 74.577 14.136 -9.643 1.00 1.00 H new ATOM 0 HG22 THR A 35 76.080 13.281 -10.066 1.00 1.00 H new ATOM 0 HG23 THR A 35 74.774 13.432 -11.266 1.00 1.00 H new ATOM 539 N ARG A 36 76.909 11.330 -9.110 1.00 1.00 N ATOM 540 CA ARG A 36 78.274 11.072 -8.569 1.00 1.00 C ATOM 541 C ARG A 36 78.481 11.886 -7.289 1.00 1.00 C ATOM 542 O ARG A 36 79.404 11.650 -6.536 1.00 1.00 O ATOM 543 CB ARG A 36 79.320 11.484 -9.608 1.00 1.00 C ATOM 544 CG ARG A 36 80.658 10.821 -9.276 1.00 1.00 C ATOM 545 CD ARG A 36 81.777 11.505 -10.066 1.00 1.00 C ATOM 546 NE ARG A 36 83.009 10.669 -10.007 1.00 1.00 N ATOM 547 CZ ARG A 36 84.053 10.994 -10.719 1.00 1.00 C ATOM 548 NH1 ARG A 36 84.017 12.051 -11.484 1.00 1.00 N ATOM 549 NH2 ARG A 36 85.132 10.262 -10.667 1.00 1.00 N ATOM 0 H ARG A 36 76.450 12.168 -8.753 1.00 1.00 H new ATOM 0 HA ARG A 36 78.380 10.011 -8.345 1.00 1.00 H new ATOM 0 HB2 ARG A 36 78.993 11.189 -10.605 1.00 1.00 H new ATOM 0 HB3 ARG A 36 79.432 12.568 -9.617 1.00 1.00 H new ATOM 0 HG2 ARG A 36 80.857 10.894 -8.207 1.00 1.00 H new ATOM 0 HG3 ARG A 36 80.621 9.760 -9.522 1.00 1.00 H new ATOM 0 HD2 ARG A 36 81.471 11.647 -11.102 1.00 1.00 H new ATOM 0 HD3 ARG A 36 81.976 12.494 -9.654 1.00 1.00 H new ATOM 0 HE ARG A 36 83.036 9.842 -9.410 1.00 1.00 H new ATOM 0 HH11 ARG A 36 83.173 12.622 -11.525 1.00 1.00 H new ATOM 0 HH12 ARG A 36 84.833 12.306 -12.041 1.00 1.00 H new ATOM 0 HH21 ARG A 36 85.159 9.436 -10.070 1.00 1.00 H new ATOM 0 HH22 ARG A 36 85.948 10.516 -11.224 1.00 1.00 H new ATOM 563 N GLN A 37 77.633 12.846 -7.039 1.00 1.00 N ATOM 564 CA GLN A 37 77.787 13.676 -5.809 1.00 1.00 C ATOM 565 C GLN A 37 76.997 13.047 -4.660 1.00 1.00 C ATOM 566 O GLN A 37 75.800 12.861 -4.746 1.00 1.00 O ATOM 567 CB GLN A 37 77.253 15.084 -6.078 1.00 1.00 C ATOM 568 CG GLN A 37 77.954 15.670 -7.305 1.00 1.00 C ATOM 569 CD GLN A 37 77.429 17.084 -7.566 1.00 1.00 C ATOM 570 OE1 GLN A 37 78.171 17.952 -7.983 1.00 1.00 O ATOM 571 NE2 GLN A 37 76.173 17.353 -7.338 1.00 1.00 N ATOM 0 H GLN A 37 76.841 13.092 -7.632 1.00 1.00 H new ATOM 0 HA GLN A 37 78.841 13.727 -5.538 1.00 1.00 H new ATOM 0 HB2 GLN A 37 76.176 15.051 -6.243 1.00 1.00 H new ATOM 0 HB3 GLN A 37 77.423 15.721 -5.210 1.00 1.00 H new ATOM 0 HG2 GLN A 37 79.032 15.695 -7.144 1.00 1.00 H new ATOM 0 HG3 GLN A 37 77.776 15.038 -8.175 1.00 1.00 H new ATOM 0 HE21 GLN A 37 75.551 16.624 -6.988 1.00 1.00 H new ATOM 0 HE22 GLN A 37 75.813 18.292 -7.510 1.00 1.00 H new ATOM 580 N CYS A 38 77.656 12.723 -3.579 1.00 1.00 N ATOM 581 CA CYS A 38 76.936 12.115 -2.425 1.00 1.00 C ATOM 582 C CYS A 38 75.983 13.149 -1.823 1.00 1.00 C ATOM 583 O CYS A 38 75.231 12.860 -0.913 1.00 1.00 O ATOM 584 CB CYS A 38 77.947 11.675 -1.363 1.00 1.00 C ATOM 585 SG CYS A 38 79.060 10.433 -2.066 1.00 1.00 S ATOM 0 H CYS A 38 78.659 12.853 -3.447 1.00 1.00 H new ATOM 0 HA CYS A 38 76.369 11.248 -2.765 1.00 1.00 H new ATOM 0 HB2 CYS A 38 78.519 12.534 -1.012 1.00 1.00 H new ATOM 0 HB3 CYS A 38 77.426 11.264 -0.498 1.00 1.00 H new ATOM 590 N LYS A 39 76.008 14.353 -2.330 1.00 1.00 N ATOM 591 CA LYS A 39 75.105 15.413 -1.797 1.00 1.00 C ATOM 592 C LYS A 39 75.102 15.369 -0.266 1.00 1.00 C ATOM 593 O LYS A 39 74.205 15.877 0.377 1.00 1.00 O ATOM 594 CB LYS A 39 73.682 15.179 -2.326 1.00 1.00 C ATOM 595 CG LYS A 39 73.010 16.525 -2.603 1.00 1.00 C ATOM 596 CD LYS A 39 73.681 17.194 -3.804 1.00 1.00 C ATOM 597 CE LYS A 39 72.631 17.946 -4.624 1.00 1.00 C ATOM 598 NZ LYS A 39 71.739 18.710 -3.707 1.00 1.00 N ATOM 0 H LYS A 39 76.617 14.648 -3.093 1.00 1.00 H new ATOM 0 HA LYS A 39 75.459 16.391 -2.123 1.00 1.00 H new ATOM 0 HB2 LYS A 39 73.716 14.583 -3.238 1.00 1.00 H new ATOM 0 HB3 LYS A 39 73.101 14.614 -1.597 1.00 1.00 H new ATOM 0 HG2 LYS A 39 71.948 16.379 -2.801 1.00 1.00 H new ATOM 0 HG3 LYS A 39 73.085 17.168 -1.726 1.00 1.00 H new ATOM 0 HD2 LYS A 39 74.454 17.883 -3.464 1.00 1.00 H new ATOM 0 HD3 LYS A 39 74.172 16.444 -4.424 1.00 1.00 H new ATOM 0 HE2 LYS A 39 73.118 18.625 -5.324 1.00 1.00 H new ATOM 0 HE3 LYS A 39 72.045 17.243 -5.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 71.420 19.580 -4.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 70.914 18.127 -3.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 72.260 18.956 -2.841 1.00 1.00 H new ATOM 612 N SER A 40 76.097 14.765 0.322 1.00 1.00 N ATOM 613 CA SER A 40 76.147 14.690 1.809 1.00 1.00 C ATOM 614 C SER A 40 76.658 16.017 2.370 1.00 1.00 C ATOM 615 O SER A 40 77.611 16.587 1.876 1.00 1.00 O ATOM 616 CB SER A 40 77.086 13.561 2.231 1.00 1.00 C ATOM 617 OG SER A 40 78.286 13.640 1.474 1.00 1.00 O ATOM 0 H SER A 40 76.877 14.320 -0.162 1.00 1.00 H new ATOM 0 HA SER A 40 75.147 14.494 2.197 1.00 1.00 H new ATOM 0 HB2 SER A 40 77.308 13.636 3.295 1.00 1.00 H new ATOM 0 HB3 SER A 40 76.606 12.595 2.073 1.00 1.00 H new ATOM 0 HG SER A 40 78.934 14.205 1.945 1.00 1.00 H new ATOM 623 N LYS A 41 76.031 16.514 3.400 1.00 1.00 N ATOM 624 CA LYS A 41 76.477 17.805 3.995 1.00 1.00 C ATOM 625 C LYS A 41 77.893 17.642 4.560 1.00 1.00 C ATOM 626 O LYS A 41 78.301 16.555 4.917 1.00 1.00 O ATOM 627 CB LYS A 41 75.514 18.199 5.121 1.00 1.00 C ATOM 628 CG LYS A 41 74.313 18.940 4.530 1.00 1.00 C ATOM 629 CD LYS A 41 73.270 19.178 5.624 1.00 1.00 C ATOM 630 CE LYS A 41 71.956 19.632 4.987 1.00 1.00 C ATOM 631 NZ LYS A 41 70.986 19.998 6.057 1.00 1.00 N ATOM 0 H LYS A 41 75.228 16.081 3.856 1.00 1.00 H new ATOM 0 HA LYS A 41 76.481 18.582 3.231 1.00 1.00 H new ATOM 0 HB2 LYS A 41 75.179 17.310 5.655 1.00 1.00 H new ATOM 0 HB3 LYS A 41 76.025 18.833 5.846 1.00 1.00 H new ATOM 0 HG2 LYS A 41 74.633 19.891 4.105 1.00 1.00 H new ATOM 0 HG3 LYS A 41 73.877 18.358 3.718 1.00 1.00 H new ATOM 0 HD2 LYS A 41 73.112 18.264 6.196 1.00 1.00 H new ATOM 0 HD3 LYS A 41 73.627 19.934 6.324 1.00 1.00 H new ATOM 0 HE2 LYS A 41 72.132 20.486 4.333 1.00 1.00 H new ATOM 0 HE3 LYS A 41 71.546 18.835 4.366 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 70.092 20.307 5.624 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 70.810 19.172 6.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 71.378 20.771 6.631 1.00 1.00 H new ATOM 645 N PRO A 42 78.635 18.717 4.645 1.00 1.00 N ATOM 646 CA PRO A 42 80.023 18.697 5.178 1.00 1.00 C ATOM 647 C PRO A 42 80.181 17.704 6.338 1.00 1.00 C ATOM 648 O PRO A 42 79.220 17.348 6.991 1.00 1.00 O ATOM 649 CB PRO A 42 80.222 20.135 5.659 1.00 1.00 C ATOM 650 CG PRO A 42 79.371 20.969 4.756 1.00 1.00 C ATOM 651 CD PRO A 42 78.233 20.076 4.248 1.00 1.00 C ATOM 0 HA PRO A 42 80.754 18.377 4.435 1.00 1.00 H new ATOM 0 HB2 PRO A 42 79.920 20.248 6.700 1.00 1.00 H new ATOM 0 HB3 PRO A 42 81.269 20.430 5.597 1.00 1.00 H new ATOM 0 HG2 PRO A 42 78.973 21.831 5.291 1.00 1.00 H new ATOM 0 HG3 PRO A 42 79.958 21.354 3.923 1.00 1.00 H new ATOM 0 HD2 PRO A 42 77.278 20.355 4.694 1.00 1.00 H new ATOM 0 HD3 PRO A 42 78.116 20.157 3.167 1.00 1.00 H new ATOM 659 N PRO A 43 81.385 17.258 6.589 1.00 1.00 N ATOM 660 CA PRO A 43 81.670 16.287 7.688 1.00 1.00 C ATOM 661 C PRO A 43 81.391 16.887 9.070 1.00 1.00 C ATOM 662 O PRO A 43 81.803 17.989 9.374 1.00 1.00 O ATOM 663 CB PRO A 43 83.162 15.967 7.526 1.00 1.00 C ATOM 664 CG PRO A 43 83.731 17.111 6.754 1.00 1.00 C ATOM 665 CD PRO A 43 82.606 17.633 5.860 1.00 1.00 C ATOM 0 HA PRO A 43 81.034 15.404 7.624 1.00 1.00 H new ATOM 0 HB2 PRO A 43 83.650 15.866 8.496 1.00 1.00 H new ATOM 0 HB3 PRO A 43 83.307 15.025 6.997 1.00 1.00 H new ATOM 0 HG2 PRO A 43 84.088 17.893 7.425 1.00 1.00 H new ATOM 0 HG3 PRO A 43 84.584 16.790 6.156 1.00 1.00 H new ATOM 0 HD2 PRO A 43 82.674 18.712 5.719 1.00 1.00 H new ATOM 0 HD3 PRO A 43 82.637 17.179 4.869 1.00 1.00 H new ATOM 673 N LYS A 44 80.694 16.168 9.908 1.00 1.00 N ATOM 674 CA LYS A 44 80.387 16.695 11.268 1.00 1.00 C ATOM 675 C LYS A 44 80.224 15.524 12.241 1.00 1.00 C ATOM 676 O LYS A 44 79.385 15.546 13.119 1.00 1.00 O ATOM 677 CB LYS A 44 79.087 17.505 11.219 1.00 1.00 C ATOM 678 CG LYS A 44 78.980 18.381 12.468 1.00 1.00 C ATOM 679 CD LYS A 44 79.685 19.716 12.218 1.00 1.00 C ATOM 680 CE LYS A 44 79.516 20.620 13.441 1.00 1.00 C ATOM 681 NZ LYS A 44 80.245 21.900 13.217 1.00 1.00 N ATOM 0 H LYS A 44 80.324 15.238 9.709 1.00 1.00 H new ATOM 0 HA LYS A 44 81.202 17.337 11.604 1.00 1.00 H new ATOM 0 HB2 LYS A 44 79.068 18.127 10.324 1.00 1.00 H new ATOM 0 HB3 LYS A 44 78.230 16.834 11.159 1.00 1.00 H new ATOM 0 HG2 LYS A 44 77.933 18.552 12.716 1.00 1.00 H new ATOM 0 HG3 LYS A 44 79.431 17.874 13.321 1.00 1.00 H new ATOM 0 HD2 LYS A 44 80.744 19.549 12.020 1.00 1.00 H new ATOM 0 HD3 LYS A 44 79.268 20.200 11.335 1.00 1.00 H new ATOM 0 HE2 LYS A 44 78.459 20.817 13.617 1.00 1.00 H new ATOM 0 HE3 LYS A 44 79.900 20.121 14.331 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 80.130 22.515 14.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 81.255 21.703 13.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 79.859 22.377 12.378 1.00 1.00 H new ATOM 695 N LYS A 45 81.022 14.503 12.092 1.00 1.00 N ATOM 696 CA LYS A 45 80.912 13.334 13.010 1.00 1.00 C ATOM 697 C LYS A 45 79.455 12.873 13.075 1.00 1.00 C ATOM 698 O LYS A 45 78.712 13.254 13.958 1.00 1.00 O ATOM 699 CB LYS A 45 81.385 13.744 14.408 1.00 1.00 C ATOM 700 CG LYS A 45 82.857 14.158 14.354 1.00 1.00 C ATOM 701 CD LYS A 45 83.115 15.265 15.377 1.00 1.00 C ATOM 702 CE LYS A 45 83.091 14.673 16.788 1.00 1.00 C ATOM 703 NZ LYS A 45 81.727 14.151 17.084 1.00 1.00 N ATOM 0 H LYS A 45 81.744 14.427 11.376 1.00 1.00 H new ATOM 0 HA LYS A 45 81.532 12.517 12.641 1.00 1.00 H new ATOM 0 HB2 LYS A 45 80.778 14.570 14.780 1.00 1.00 H new ATOM 0 HB3 LYS A 45 81.256 12.915 15.104 1.00 1.00 H new ATOM 0 HG2 LYS A 45 83.495 13.299 14.563 1.00 1.00 H new ATOM 0 HG3 LYS A 45 83.111 14.507 13.353 1.00 1.00 H new ATOM 0 HD2 LYS A 45 84.080 15.735 15.185 1.00 1.00 H new ATOM 0 HD3 LYS A 45 82.358 16.043 15.285 1.00 1.00 H new ATOM 0 HE2 LYS A 45 83.825 13.871 16.870 1.00 1.00 H new ATOM 0 HE3 LYS A 45 83.367 15.434 17.518 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 81.502 14.316 18.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 81.031 14.641 16.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 81.695 13.131 16.886 1.00 1.00 H new ATOM 717 N GLY A 46 79.039 12.058 12.144 1.00 1.00 N ATOM 718 CA GLY A 46 77.630 11.574 12.150 1.00 1.00 C ATOM 719 C GLY A 46 76.712 12.672 11.611 1.00 1.00 C ATOM 720 O GLY A 46 77.165 13.688 11.122 1.00 1.00 O ATOM 0 H GLY A 46 79.615 11.706 11.379 1.00 1.00 H new ATOM 0 HA2 GLY A 46 77.540 10.677 11.538 1.00 1.00 H new ATOM 0 HA3 GLY A 46 77.332 11.301 13.162 1.00 1.00 H new ATOM 724 N VAL A 47 75.424 12.479 11.696 1.00 1.00 N ATOM 725 CA VAL A 47 74.480 13.514 11.188 1.00 1.00 C ATOM 726 C VAL A 47 74.782 13.798 9.720 1.00 1.00 C ATOM 727 O VAL A 47 75.119 14.902 9.341 1.00 1.00 O ATOM 728 CB VAL A 47 74.645 14.790 12.005 1.00 1.00 C ATOM 729 CG1 VAL A 47 73.450 15.713 11.758 1.00 1.00 C ATOM 730 CG2 VAL A 47 74.716 14.436 13.492 1.00 1.00 C ATOM 0 H VAL A 47 74.985 11.649 12.095 1.00 1.00 H new ATOM 0 HA VAL A 47 73.455 13.155 11.281 1.00 1.00 H new ATOM 0 HB VAL A 47 75.563 15.297 11.706 1.00 1.00 H new ATOM 0 HG11 VAL A 47 73.568 16.625 12.342 1.00 1.00 H new ATOM 0 HG12 VAL A 47 73.397 15.965 10.699 1.00 1.00 H new ATOM 0 HG13 VAL A 47 72.532 15.207 12.057 1.00 1.00 H new ATOM 0 HG21 VAL A 47 74.834 15.348 14.078 1.00 1.00 H new ATOM 0 HG22 VAL A 47 73.798 13.930 13.790 1.00 1.00 H new ATOM 0 HG23 VAL A 47 75.567 13.778 13.669 1.00 1.00 H new ATOM 740 N GLN A 48 74.662 12.801 8.896 1.00 1.00 N ATOM 741 CA GLN A 48 74.938 12.988 7.443 1.00 1.00 C ATOM 742 C GLN A 48 76.345 13.558 7.261 1.00 1.00 C ATOM 743 O GLN A 48 76.519 14.718 6.945 1.00 1.00 O ATOM 744 CB GLN A 48 73.914 13.956 6.845 1.00 1.00 C ATOM 745 CG GLN A 48 72.500 13.468 7.167 1.00 1.00 C ATOM 746 CD GLN A 48 72.227 12.163 6.416 1.00 1.00 C ATOM 747 OE1 GLN A 48 72.966 11.795 5.525 1.00 1.00 O ATOM 748 NE2 GLN A 48 71.188 11.443 6.741 1.00 1.00 N ATOM 0 H GLN A 48 74.383 11.857 9.165 1.00 1.00 H new ATOM 0 HA GLN A 48 74.866 12.026 6.935 1.00 1.00 H new ATOM 0 HB2 GLN A 48 74.065 14.957 7.249 1.00 1.00 H new ATOM 0 HB3 GLN A 48 74.049 14.024 5.766 1.00 1.00 H new ATOM 0 HG2 GLN A 48 72.394 13.311 8.240 1.00 1.00 H new ATOM 0 HG3 GLN A 48 71.769 14.224 6.881 1.00 1.00 H new ATOM 0 HE21 GLN A 48 70.567 11.752 7.489 1.00 1.00 H new ATOM 0 HE22 GLN A 48 70.997 10.571 6.247 1.00 1.00 H new ATOM 757 N GLY A 49 77.351 12.752 7.458 1.00 1.00 N ATOM 758 CA GLY A 49 78.746 13.247 7.296 1.00 1.00 C ATOM 759 C GLY A 49 79.713 12.284 7.986 1.00 1.00 C ATOM 760 O GLY A 49 79.702 12.137 9.192 1.00 1.00 O ATOM 0 H GLY A 49 77.267 11.771 7.724 1.00 1.00 H new ATOM 0 HA2 GLY A 49 78.993 13.331 6.238 1.00 1.00 H new ATOM 0 HA3 GLY A 49 78.841 14.244 7.725 1.00 1.00 H new ATOM 764 N CYS A 50 80.548 11.626 7.231 1.00 1.00 N ATOM 765 CA CYS A 50 81.514 10.672 7.844 1.00 1.00 C ATOM 766 C CYS A 50 82.568 11.452 8.633 1.00 1.00 C ATOM 767 O CYS A 50 82.286 12.478 9.219 1.00 1.00 O ATOM 768 CB CYS A 50 82.198 9.860 6.743 1.00 1.00 C ATOM 769 SG CYS A 50 80.941 9.129 5.665 1.00 1.00 S ATOM 0 H CYS A 50 80.603 11.708 6.216 1.00 1.00 H new ATOM 0 HA CYS A 50 80.983 9.997 8.515 1.00 1.00 H new ATOM 0 HB2 CYS A 50 82.862 10.501 6.163 1.00 1.00 H new ATOM 0 HB3 CYS A 50 82.815 9.077 7.184 1.00 1.00 H new ATOM 774 N GLY A 51 83.781 10.974 8.654 1.00 1.00 N ATOM 775 CA GLY A 51 84.851 11.689 9.405 1.00 1.00 C ATOM 776 C GLY A 51 86.170 10.927 9.267 1.00 1.00 C ATOM 777 O GLY A 51 87.202 11.366 9.734 1.00 1.00 O ATOM 0 H GLY A 51 84.078 10.119 8.184 1.00 1.00 H new ATOM 0 HA2 GLY A 51 84.963 12.703 9.022 1.00 1.00 H new ATOM 0 HA3 GLY A 51 84.577 11.774 10.456 1.00 1.00 H new ATOM 781 N ASP A 52 86.145 9.789 8.628 1.00 1.00 N ATOM 782 CA ASP A 52 87.399 9.003 8.461 1.00 1.00 C ATOM 783 C ASP A 52 88.504 9.920 7.933 1.00 1.00 C ATOM 784 O ASP A 52 89.465 10.209 8.618 1.00 1.00 O ATOM 785 CB ASP A 52 87.161 7.865 7.465 1.00 1.00 C ATOM 786 CG ASP A 52 86.200 6.844 8.077 1.00 1.00 C ATOM 787 OD1 ASP A 52 85.055 7.199 8.303 1.00 1.00 O ATOM 788 OD2 ASP A 52 86.626 5.724 8.309 1.00 1.00 O ATOM 0 H ASP A 52 85.311 9.371 8.215 1.00 1.00 H new ATOM 0 HA ASP A 52 87.698 8.585 9.422 1.00 1.00 H new ATOM 0 HB2 ASP A 52 86.746 8.260 6.537 1.00 1.00 H new ATOM 0 HB3 ASP A 52 88.106 7.385 7.213 1.00 1.00 H new ATOM 793 N ASP A 53 88.375 10.382 6.719 1.00 1.00 N ATOM 794 CA ASP A 53 89.417 11.282 6.150 1.00 1.00 C ATOM 795 C ASP A 53 88.828 12.071 4.978 1.00 1.00 C ATOM 796 O ASP A 53 88.908 13.282 4.929 1.00 1.00 O ATOM 797 CB ASP A 53 90.601 10.447 5.657 1.00 1.00 C ATOM 798 CG ASP A 53 91.383 9.910 6.858 1.00 1.00 C ATOM 799 OD1 ASP A 53 92.104 10.685 7.464 1.00 1.00 O ATOM 800 OD2 ASP A 53 91.247 8.734 7.150 1.00 1.00 O ATOM 0 H ASP A 53 87.593 10.175 6.097 1.00 1.00 H new ATOM 0 HA ASP A 53 89.756 11.974 6.921 1.00 1.00 H new ATOM 0 HB2 ASP A 53 90.245 9.620 5.042 1.00 1.00 H new ATOM 0 HB3 ASP A 53 91.252 11.055 5.028 1.00 1.00 H new ATOM 805 N ILE A 54 88.237 11.393 4.032 1.00 1.00 N ATOM 806 CA ILE A 54 87.643 12.101 2.861 1.00 1.00 C ATOM 807 C ILE A 54 86.153 12.360 3.125 1.00 1.00 C ATOM 808 O ILE A 54 85.437 11.473 3.546 1.00 1.00 O ATOM 809 CB ILE A 54 87.794 11.224 1.614 1.00 1.00 C ATOM 810 CG1 ILE A 54 89.197 10.614 1.588 1.00 1.00 C ATOM 811 CG2 ILE A 54 87.587 12.077 0.361 1.00 1.00 C ATOM 812 CD1 ILE A 54 90.239 11.720 1.767 1.00 1.00 C ATOM 0 H ILE A 54 88.140 10.378 4.019 1.00 1.00 H new ATOM 0 HA ILE A 54 88.155 13.051 2.706 1.00 1.00 H new ATOM 0 HB ILE A 54 87.050 10.428 1.638 1.00 1.00 H new ATOM 0 HG12 ILE A 54 89.298 9.873 2.381 1.00 1.00 H new ATOM 0 HG13 ILE A 54 89.361 10.094 0.644 1.00 1.00 H new ATOM 0 HG21 ILE A 54 87.695 11.453 -0.526 1.00 1.00 H new ATOM 0 HG22 ILE A 54 86.588 12.513 0.379 1.00 1.00 H new ATOM 0 HG23 ILE A 54 88.331 12.874 0.336 1.00 1.00 H new ATOM 0 HD11 ILE A 54 91.238 11.285 1.748 1.00 1.00 H new ATOM 0 HD12 ILE A 54 90.143 12.444 0.958 1.00 1.00 H new ATOM 0 HD13 ILE A 54 90.079 12.220 2.722 1.00 1.00 H new ATOM 824 N PRO A 55 85.680 13.560 2.880 1.00 1.00 N ATOM 825 CA PRO A 55 84.247 13.911 3.100 1.00 1.00 C ATOM 826 C PRO A 55 83.337 13.321 2.017 1.00 1.00 C ATOM 827 O PRO A 55 83.607 13.433 0.838 1.00 1.00 O ATOM 828 CB PRO A 55 84.237 15.441 3.037 1.00 1.00 C ATOM 829 CG PRO A 55 85.395 15.797 2.164 1.00 1.00 C ATOM 830 CD PRO A 55 86.451 14.705 2.368 1.00 1.00 C ATOM 0 HA PRO A 55 83.868 13.513 4.041 1.00 1.00 H new ATOM 0 HB2 PRO A 55 83.300 15.813 2.622 1.00 1.00 H new ATOM 0 HB3 PRO A 55 84.342 15.878 4.030 1.00 1.00 H new ATOM 0 HG2 PRO A 55 85.090 15.850 1.119 1.00 1.00 H new ATOM 0 HG3 PRO A 55 85.794 16.776 2.430 1.00 1.00 H new ATOM 0 HD2 PRO A 55 86.958 14.460 1.435 1.00 1.00 H new ATOM 0 HD3 PRO A 55 87.219 15.018 3.075 1.00 1.00 H new ATOM 838 N GLY A 56 82.261 12.692 2.408 1.00 1.00 N ATOM 839 CA GLY A 56 81.338 12.096 1.401 1.00 1.00 C ATOM 840 C GLY A 56 81.067 13.112 0.289 1.00 1.00 C ATOM 841 O GLY A 56 80.374 14.090 0.485 1.00 1.00 O ATOM 0 H GLY A 56 81.982 12.566 3.381 1.00 1.00 H new ATOM 0 HA2 GLY A 56 81.777 11.191 0.981 1.00 1.00 H new ATOM 0 HA3 GLY A 56 80.402 11.805 1.878 1.00 1.00 H new ATOM 845 N MET A 57 81.609 12.888 -0.877 1.00 1.00 N ATOM 846 CA MET A 57 81.384 13.843 -2.001 1.00 1.00 C ATOM 847 C MET A 57 81.471 13.086 -3.330 1.00 1.00 C ATOM 848 O MET A 57 81.363 13.662 -4.395 1.00 1.00 O ATOM 849 CB MET A 57 82.454 14.942 -1.946 1.00 1.00 C ATOM 850 CG MET A 57 82.413 15.768 -3.233 1.00 1.00 C ATOM 851 SD MET A 57 80.693 16.137 -3.659 1.00 1.00 S ATOM 852 CE MET A 57 81.036 17.206 -5.079 1.00 1.00 C ATOM 0 H MET A 57 82.198 12.086 -1.101 1.00 1.00 H new ATOM 0 HA MET A 57 80.398 14.299 -1.916 1.00 1.00 H new ATOM 0 HB2 MET A 57 82.283 15.586 -1.084 1.00 1.00 H new ATOM 0 HB3 MET A 57 83.441 14.496 -1.820 1.00 1.00 H new ATOM 0 HG2 MET A 57 82.973 16.694 -3.101 1.00 1.00 H new ATOM 0 HG3 MET A 57 82.890 15.220 -4.045 1.00 1.00 H new ATOM 0 HE1 MET A 57 80.096 17.556 -5.507 1.00 1.00 H new ATOM 0 HE2 MET A 57 81.628 18.062 -4.755 1.00 1.00 H new ATOM 0 HE3 MET A 57 81.590 16.645 -5.831 1.00 1.00 H new ATOM 862 N GLU A 58 81.660 11.794 -3.273 1.00 1.00 N ATOM 863 CA GLU A 58 81.754 10.987 -4.527 1.00 1.00 C ATOM 864 C GLU A 58 80.806 9.787 -4.436 1.00 1.00 C ATOM 865 O GLU A 58 81.193 8.708 -4.032 1.00 1.00 O ATOM 866 CB GLU A 58 83.194 10.491 -4.700 1.00 1.00 C ATOM 867 CG GLU A 58 83.426 10.084 -6.157 1.00 1.00 C ATOM 868 CD GLU A 58 83.754 11.326 -6.988 1.00 1.00 C ATOM 869 OE1 GLU A 58 82.827 11.947 -7.481 1.00 1.00 O ATOM 870 OE2 GLU A 58 84.927 11.635 -7.116 1.00 1.00 O ATOM 0 H GLU A 58 81.754 11.260 -2.409 1.00 1.00 H new ATOM 0 HA GLU A 58 81.474 11.603 -5.381 1.00 1.00 H new ATOM 0 HB2 GLU A 58 83.896 11.275 -4.415 1.00 1.00 H new ATOM 0 HB3 GLU A 58 83.379 9.643 -4.041 1.00 1.00 H new ATOM 0 HG2 GLU A 58 84.243 9.366 -6.219 1.00 1.00 H new ATOM 0 HG3 GLU A 58 82.538 9.592 -6.554 1.00 1.00 H new ATOM 877 N GLY A 59 79.567 9.966 -4.810 1.00 1.00 N ATOM 878 CA GLY A 59 78.596 8.835 -4.746 1.00 1.00 C ATOM 879 C GLY A 59 77.196 9.337 -5.111 1.00 1.00 C ATOM 880 O GLY A 59 77.038 10.386 -5.703 1.00 1.00 O ATOM 0 H GLY A 59 79.186 10.846 -5.157 1.00 1.00 H new ATOM 0 HA2 GLY A 59 78.899 8.043 -5.431 1.00 1.00 H new ATOM 0 HA3 GLY A 59 78.589 8.405 -3.745 1.00 1.00 H new ATOM 884 N CYS A 60 76.179 8.593 -4.764 1.00 1.00 N ATOM 885 CA CYS A 60 74.790 9.025 -5.094 1.00 1.00 C ATOM 886 C CYS A 60 74.263 9.943 -3.990 1.00 1.00 C ATOM 887 O CYS A 60 74.181 11.145 -4.154 1.00 1.00 O ATOM 888 CB CYS A 60 73.888 7.792 -5.208 1.00 1.00 C ATOM 889 SG CYS A 60 74.847 6.399 -5.853 1.00 1.00 S ATOM 0 H CYS A 60 76.251 7.705 -4.267 1.00 1.00 H new ATOM 0 HA CYS A 60 74.792 9.564 -6.041 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.473 7.540 -4.232 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.046 8.004 -5.867 1.00 1.00 H new ATOM 894 N GLY A 61 73.899 9.385 -2.870 1.00 1.00 N ATOM 895 CA GLY A 61 73.371 10.218 -1.754 1.00 1.00 C ATOM 896 C GLY A 61 73.622 9.510 -0.422 1.00 1.00 C ATOM 897 O GLY A 61 74.371 8.556 -0.349 1.00 1.00 O ATOM 0 H GLY A 61 73.945 8.384 -2.679 1.00 1.00 H new ATOM 0 HA2 GLY A 61 73.855 11.195 -1.755 1.00 1.00 H new ATOM 0 HA3 GLY A 61 72.303 10.391 -1.890 1.00 1.00 H new ATOM 901 N THR A 62 72.997 9.976 0.630 1.00 1.00 N ATOM 902 CA THR A 62 73.181 9.349 1.979 1.00 1.00 C ATOM 903 C THR A 62 74.571 8.716 2.084 1.00 1.00 C ATOM 904 O THR A 62 74.742 7.531 1.878 1.00 1.00 O ATOM 905 CB THR A 62 72.112 8.275 2.199 1.00 1.00 C ATOM 906 OG1 THR A 62 72.552 7.370 3.202 1.00 1.00 O ATOM 907 CG2 THR A 62 71.872 7.515 0.893 1.00 1.00 C ATOM 0 H THR A 62 72.360 10.772 0.613 1.00 1.00 H new ATOM 0 HA THR A 62 73.084 10.122 2.742 1.00 1.00 H new ATOM 0 HB THR A 62 71.183 8.747 2.517 1.00 1.00 H new ATOM 0 HG1 THR A 62 73.309 6.849 2.863 1.00 1.00 H new ATOM 0 HG21 THR A 62 71.111 6.751 1.051 1.00 1.00 H new ATOM 0 HG22 THR A 62 71.534 8.210 0.124 1.00 1.00 H new ATOM 0 HG23 THR A 62 72.800 7.042 0.572 1.00 1.00 H new ATOM 915 N ASP A 63 75.566 9.499 2.397 1.00 1.00 N ATOM 916 CA ASP A 63 76.943 8.942 2.510 1.00 1.00 C ATOM 917 C ASP A 63 77.046 8.055 3.752 1.00 1.00 C ATOM 918 O ASP A 63 77.872 7.166 3.819 1.00 1.00 O ATOM 919 CB ASP A 63 77.952 10.087 2.619 1.00 1.00 C ATOM 920 CG ASP A 63 77.671 10.897 3.886 1.00 1.00 C ATOM 921 OD1 ASP A 63 76.545 11.338 4.046 1.00 1.00 O ATOM 922 OD2 ASP A 63 78.587 11.064 4.674 1.00 1.00 O ATOM 0 H ASP A 63 75.485 10.499 2.579 1.00 1.00 H new ATOM 0 HA ASP A 63 77.160 8.346 1.623 1.00 1.00 H new ATOM 0 HB2 ASP A 63 78.967 9.690 2.646 1.00 1.00 H new ATOM 0 HB3 ASP A 63 77.885 10.730 1.741 1.00 1.00 H new ATOM 927 N ILE A 64 76.226 8.288 4.742 1.00 1.00 N ATOM 928 CA ILE A 64 76.305 7.448 5.971 1.00 1.00 C ATOM 929 C ILE A 64 75.002 7.560 6.773 1.00 1.00 C ATOM 930 O ILE A 64 74.595 6.636 7.449 1.00 1.00 O ATOM 931 CB ILE A 64 77.481 7.930 6.829 1.00 1.00 C ATOM 932 CG1 ILE A 64 77.717 6.939 7.971 1.00 1.00 C ATOM 933 CG2 ILE A 64 77.159 9.308 7.410 1.00 1.00 C ATOM 934 CD1 ILE A 64 78.803 5.942 7.566 1.00 1.00 C ATOM 0 H ILE A 64 75.512 9.016 4.753 1.00 1.00 H new ATOM 0 HA ILE A 64 76.453 6.406 5.688 1.00 1.00 H new ATOM 0 HB ILE A 64 78.377 7.997 6.212 1.00 1.00 H new ATOM 0 HG12 ILE A 64 78.016 7.472 8.873 1.00 1.00 H new ATOM 0 HG13 ILE A 64 76.793 6.411 8.205 1.00 1.00 H new ATOM 0 HG21 ILE A 64 77.995 9.650 8.020 1.00 1.00 H new ATOM 0 HG22 ILE A 64 76.989 10.015 6.598 1.00 1.00 H new ATOM 0 HG23 ILE A 64 76.263 9.242 8.027 1.00 1.00 H new ATOM 0 HD11 ILE A 64 78.971 5.236 8.380 1.00 1.00 H new ATOM 0 HD12 ILE A 64 78.485 5.400 6.675 1.00 1.00 H new ATOM 0 HD13 ILE A 64 79.728 6.478 7.354 1.00 1.00 H new ATOM 946 N THR A 65 74.358 8.689 6.701 1.00 1.00 N ATOM 947 CA THR A 65 73.079 8.902 7.452 1.00 1.00 C ATOM 948 C THR A 65 73.147 8.228 8.826 1.00 1.00 C ATOM 949 O THR A 65 72.149 7.793 9.364 1.00 1.00 O ATOM 950 CB THR A 65 71.894 8.340 6.656 1.00 1.00 C ATOM 951 OG1 THR A 65 70.683 8.660 7.325 1.00 1.00 O ATOM 952 CG2 THR A 65 72.029 6.821 6.540 1.00 1.00 C ATOM 0 H THR A 65 74.664 9.489 6.147 1.00 1.00 H new ATOM 0 HA THR A 65 72.937 9.974 7.591 1.00 1.00 H new ATOM 0 HB THR A 65 71.885 8.778 5.658 1.00 1.00 H new ATOM 0 HG1 THR A 65 70.729 8.348 8.253 1.00 1.00 H new ATOM 0 HG21 THR A 65 71.187 6.423 5.974 1.00 1.00 H new ATOM 0 HG22 THR A 65 72.959 6.577 6.026 1.00 1.00 H new ATOM 0 HG23 THR A 65 72.038 6.379 7.536 1.00 1.00 H new ATOM 960 N VAL A 66 74.316 8.155 9.400 1.00 1.00 N ATOM 961 CA VAL A 66 74.467 7.530 10.748 1.00 1.00 C ATOM 962 C VAL A 66 74.335 6.004 10.662 1.00 1.00 C ATOM 963 O VAL A 66 74.698 5.303 11.585 1.00 1.00 O ATOM 964 CB VAL A 66 73.402 8.081 11.706 1.00 1.00 C ATOM 965 CG1 VAL A 66 73.860 7.879 13.151 1.00 1.00 C ATOM 966 CG2 VAL A 66 73.203 9.575 11.440 1.00 1.00 C ATOM 0 H VAL A 66 75.182 8.504 8.990 1.00 1.00 H new ATOM 0 HA VAL A 66 75.460 7.775 11.125 1.00 1.00 H new ATOM 0 HB VAL A 66 72.462 7.553 11.546 1.00 1.00 H new ATOM 0 HG11 VAL A 66 73.103 8.271 13.831 1.00 1.00 H new ATOM 0 HG12 VAL A 66 74.004 6.816 13.342 1.00 1.00 H new ATOM 0 HG13 VAL A 66 74.800 8.407 13.312 1.00 1.00 H new ATOM 0 HG21 VAL A 66 72.447 9.968 12.120 1.00 1.00 H new ATOM 0 HG22 VAL A 66 74.144 10.102 11.600 1.00 1.00 H new ATOM 0 HG23 VAL A 66 72.876 9.721 10.410 1.00 1.00 H new ATOM 976 N ILE A 67 73.829 5.472 9.575 1.00 1.00 N ATOM 977 CA ILE A 67 73.702 3.983 9.482 1.00 1.00 C ATOM 978 C ILE A 67 74.187 3.487 8.120 1.00 1.00 C ATOM 979 O ILE A 67 73.425 3.346 7.184 1.00 1.00 O ATOM 980 CB ILE A 67 72.246 3.567 9.674 1.00 1.00 C ATOM 981 CG1 ILE A 67 71.667 4.290 10.892 1.00 1.00 C ATOM 982 CG2 ILE A 67 72.171 2.055 9.896 1.00 1.00 C ATOM 983 CD1 ILE A 67 70.230 3.822 11.128 1.00 1.00 C ATOM 0 H ILE A 67 73.504 5.994 8.761 1.00 1.00 H new ATOM 0 HA ILE A 67 74.317 3.540 10.266 1.00 1.00 H new ATOM 0 HB ILE A 67 71.672 3.832 8.786 1.00 1.00 H new ATOM 0 HG12 ILE A 67 72.276 4.086 11.773 1.00 1.00 H new ATOM 0 HG13 ILE A 67 71.688 5.368 10.732 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.131 1.759 10.033 1.00 1.00 H new ATOM 0 HG22 ILE A 67 72.584 1.539 9.029 1.00 1.00 H new ATOM 0 HG23 ILE A 67 72.744 1.789 10.784 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.817 4.337 11.996 1.00 1.00 H new ATOM 0 HD12 ILE A 67 69.625 4.048 10.250 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.222 2.747 11.307 1.00 1.00 H new ATOM 995 N CYS A 68 75.451 3.199 8.026 1.00 1.00 N ATOM 996 CA CYS A 68 76.036 2.678 6.759 1.00 1.00 C ATOM 997 C CYS A 68 76.789 1.380 7.078 1.00 1.00 C ATOM 998 O CYS A 68 77.184 1.162 8.205 1.00 1.00 O ATOM 999 CB CYS A 68 76.992 3.738 6.193 1.00 1.00 C ATOM 1000 SG CYS A 68 76.878 3.766 4.387 1.00 1.00 S ATOM 0 H CYS A 68 76.119 3.304 8.789 1.00 1.00 H new ATOM 0 HA CYS A 68 75.263 2.470 6.019 1.00 1.00 H new ATOM 0 HB2 CYS A 68 76.742 4.719 6.597 1.00 1.00 H new ATOM 0 HB3 CYS A 68 78.015 3.518 6.498 1.00 1.00 H new ATOM 1005 N PRO A 69 76.979 0.505 6.120 1.00 1.00 N ATOM 1006 CA PRO A 69 77.686 -0.784 6.351 1.00 1.00 C ATOM 1007 C PRO A 69 78.843 -0.651 7.343 1.00 1.00 C ATOM 1008 O PRO A 69 79.335 -1.628 7.865 1.00 1.00 O ATOM 1009 CB PRO A 69 78.194 -1.145 4.959 1.00 1.00 C ATOM 1010 CG PRO A 69 77.156 -0.600 4.032 1.00 1.00 C ATOM 1011 CD PRO A 69 76.553 0.635 4.716 1.00 1.00 C ATOM 0 HA PRO A 69 77.038 -1.540 6.794 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.171 -0.703 4.766 1.00 1.00 H new ATOM 0 HB3 PRO A 69 78.304 -2.223 4.843 1.00 1.00 H new ATOM 0 HG2 PRO A 69 77.597 -0.333 3.072 1.00 1.00 H new ATOM 0 HG3 PRO A 69 76.386 -1.346 3.833 1.00 1.00 H new ATOM 0 HD2 PRO A 69 76.922 1.559 4.270 1.00 1.00 H new ATOM 0 HD3 PRO A 69 75.467 0.650 4.628 1.00 1.00 H new ATOM 1019 N TRP A 70 79.276 0.549 7.610 1.00 1.00 N ATOM 1020 CA TRP A 70 80.396 0.738 8.569 1.00 1.00 C ATOM 1021 C TRP A 70 79.871 0.643 10.008 1.00 1.00 C ATOM 1022 O TRP A 70 80.632 0.479 10.941 1.00 1.00 O ATOM 1023 CB TRP A 70 81.031 2.116 8.336 1.00 1.00 C ATOM 1024 CG TRP A 70 82.515 2.011 8.479 1.00 1.00 C ATOM 1025 CD1 TRP A 70 83.165 1.697 9.623 1.00 1.00 C ATOM 1026 CD2 TRP A 70 83.544 2.213 7.466 1.00 1.00 C ATOM 1027 NE1 TRP A 70 84.526 1.693 9.379 1.00 1.00 N ATOM 1028 CE2 TRP A 70 84.811 2.005 8.065 1.00 1.00 C ATOM 1029 CE3 TRP A 70 83.503 2.552 6.103 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 85.995 2.130 7.333 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 84.689 2.678 5.365 1.00 1.00 C ATOM 1032 CH2 TRP A 70 85.932 2.468 5.977 1.00 1.00 C ATOM 0 H TRP A 70 78.902 1.407 7.205 1.00 1.00 H new ATOM 0 HA TRP A 70 81.144 -0.040 8.415 1.00 1.00 H new ATOM 0 HB2 TRP A 70 80.776 2.483 7.342 1.00 1.00 H new ATOM 0 HB3 TRP A 70 80.636 2.836 9.052 1.00 1.00 H new ATOM 0 HD1 TRP A 70 82.697 1.484 10.573 1.00 1.00 H new ATOM 0 HE1 TRP A 70 85.233 1.485 10.084 1.00 1.00 H new ATOM 0 HE3 TRP A 70 82.551 2.717 5.620 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 86.950 1.967 7.810 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 84.644 2.939 4.318 1.00 1.00 H new ATOM 0 HH2 TRP A 70 86.841 2.567 5.402 1.00 1.00 H new ATOM 1043 N GLU A 71 78.581 0.748 10.201 1.00 1.00 N ATOM 1044 CA GLU A 71 78.024 0.666 11.584 1.00 1.00 C ATOM 1045 C GLU A 71 77.533 -0.757 11.863 1.00 1.00 C ATOM 1046 O GLU A 71 77.777 -1.312 12.916 1.00 1.00 O ATOM 1047 CB GLU A 71 76.854 1.643 11.716 1.00 1.00 C ATOM 1048 CG GLU A 71 77.385 3.078 11.720 1.00 1.00 C ATOM 1049 CD GLU A 71 78.022 3.383 13.077 1.00 1.00 C ATOM 1050 OE1 GLU A 71 77.372 3.147 14.082 1.00 1.00 O ATOM 1051 OE2 GLU A 71 79.150 3.848 13.088 1.00 1.00 O ATOM 0 H GLU A 71 77.891 0.887 9.462 1.00 1.00 H new ATOM 0 HA GLU A 71 78.802 0.924 12.302 1.00 1.00 H new ATOM 0 HB2 GLU A 71 76.156 1.505 10.890 1.00 1.00 H new ATOM 0 HB3 GLU A 71 76.303 1.445 12.636 1.00 1.00 H new ATOM 0 HG2 GLU A 71 78.119 3.208 10.925 1.00 1.00 H new ATOM 0 HG3 GLU A 71 76.573 3.778 11.522 1.00 1.00 H new ATOM 1058 N ALA A 72 76.835 -1.348 10.933 1.00 1.00 N ATOM 1059 CA ALA A 72 76.321 -2.731 11.150 1.00 1.00 C ATOM 1060 C ALA A 72 77.451 -3.747 10.967 1.00 1.00 C ATOM 1061 O ALA A 72 77.284 -4.923 11.224 1.00 1.00 O ATOM 1062 CB ALA A 72 75.209 -3.023 10.141 1.00 1.00 C ATOM 0 H ALA A 72 76.598 -0.934 10.032 1.00 1.00 H new ATOM 0 HA ALA A 72 75.930 -2.811 12.164 1.00 1.00 H new ATOM 0 HB1 ALA A 72 74.832 -4.034 10.298 1.00 1.00 H new ATOM 0 HB2 ALA A 72 74.398 -2.308 10.276 1.00 1.00 H new ATOM 0 HB3 ALA A 72 75.604 -2.936 9.129 1.00 1.00 H new ATOM 1068 N CYS A 73 78.598 -3.312 10.522 1.00 1.00 N ATOM 1069 CA CYS A 73 79.724 -4.268 10.324 1.00 1.00 C ATOM 1070 C CYS A 73 80.150 -4.841 11.678 1.00 1.00 C ATOM 1071 O CYS A 73 80.437 -6.015 11.802 1.00 1.00 O ATOM 1072 CB CYS A 73 80.908 -3.539 9.675 1.00 1.00 C ATOM 1073 SG CYS A 73 81.338 -4.354 8.117 1.00 1.00 S ATOM 0 H CYS A 73 78.804 -2.341 10.288 1.00 1.00 H new ATOM 0 HA CYS A 73 79.402 -5.081 9.673 1.00 1.00 H new ATOM 0 HB2 CYS A 73 80.651 -2.496 9.493 1.00 1.00 H new ATOM 0 HB3 CYS A 73 81.765 -3.543 10.349 1.00 1.00 H new ATOM 1078 N ASN A 74 80.194 -4.024 12.694 1.00 1.00 N ATOM 1079 CA ASN A 74 80.603 -4.529 14.035 1.00 1.00 C ATOM 1080 C ASN A 74 79.535 -5.484 14.573 1.00 1.00 C ATOM 1081 O ASN A 74 79.578 -5.893 15.717 1.00 1.00 O ATOM 1082 CB ASN A 74 80.765 -3.351 14.998 1.00 1.00 C ATOM 1083 CG ASN A 74 79.398 -2.721 15.270 1.00 1.00 C ATOM 1084 OD1 ASN A 74 79.135 -1.610 14.856 1.00 1.00 O ATOM 1085 ND2 ASN A 74 78.509 -3.389 15.954 1.00 1.00 N ATOM 0 H ASN A 74 79.965 -3.031 12.654 1.00 1.00 H new ATOM 0 HA ASN A 74 81.551 -5.059 13.946 1.00 1.00 H new ATOM 0 HB2 ASN A 74 81.213 -3.690 15.932 1.00 1.00 H new ATOM 0 HB3 ASN A 74 81.440 -2.609 14.571 1.00 1.00 H new ATOM 0 HD21 ASN A 74 77.594 -2.978 16.140 1.00 1.00 H new ATOM 0 HD22 ASN A 74 78.729 -4.322 16.302 1.00 1.00 H new ATOM 1092 N HIS A 75 78.577 -5.845 13.763 1.00 1.00 N ATOM 1093 CA HIS A 75 77.515 -6.773 14.242 1.00 1.00 C ATOM 1094 C HIS A 75 76.790 -7.400 13.049 1.00 1.00 C ATOM 1095 O HIS A 75 75.584 -7.312 12.932 1.00 1.00 O ATOM 1096 CB HIS A 75 76.507 -6.001 15.096 1.00 1.00 C ATOM 1097 CG HIS A 75 75.506 -6.960 15.678 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.886 -8.149 16.284 1.00 1.00 N ATOM 1099 CD2 HIS A 75 74.134 -6.921 15.756 1.00 1.00 C ATOM 1100 CE1 HIS A 75 74.768 -8.772 16.696 1.00 1.00 C ATOM 1101 NE2 HIS A 75 73.675 -8.066 16.398 1.00 1.00 N ATOM 0 H HIS A 75 78.484 -5.539 12.795 1.00 1.00 H new ATOM 0 HA HIS A 75 77.975 -7.561 14.838 1.00 1.00 H new ATOM 0 HB2 HIS A 75 77.023 -5.468 15.895 1.00 1.00 H new ATOM 0 HB3 HIS A 75 75.999 -5.251 14.489 1.00 1.00 H new ATOM 0 HD2 HIS A 75 73.510 -6.125 15.378 1.00 1.00 H new ATOM 0 HE1 HIS A 75 74.756 -9.725 17.205 1.00 1.00 H new ATOM 0 HE2 HIS A 75 72.706 -8.314 16.599 1.00 1.00 H new ATOM 1110 N CYS A 76 77.513 -8.043 12.169 1.00 1.00 N ATOM 1111 CA CYS A 76 76.863 -8.688 10.990 1.00 1.00 C ATOM 1112 C CYS A 76 77.268 -10.164 10.938 1.00 1.00 C ATOM 1113 O CYS A 76 76.885 -10.951 11.781 1.00 1.00 O ATOM 1114 CB CYS A 76 77.313 -7.982 9.706 1.00 1.00 C ATOM 1115 SG CYS A 76 76.196 -6.603 9.352 1.00 1.00 S ATOM 0 H CYS A 76 78.526 -8.149 12.216 1.00 1.00 H new ATOM 0 HA CYS A 76 75.779 -8.610 11.079 1.00 1.00 H new ATOM 0 HB2 CYS A 76 78.334 -7.617 9.818 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.315 -8.685 8.873 1.00 1.00 H new ATOM 1120 N GLU A 77 78.040 -10.549 9.958 1.00 1.00 N ATOM 1121 CA GLU A 77 78.467 -11.972 9.859 1.00 1.00 C ATOM 1122 C GLU A 77 79.509 -12.268 10.942 1.00 1.00 C ATOM 1123 O GLU A 77 79.354 -11.890 12.086 1.00 1.00 O ATOM 1124 CB GLU A 77 79.073 -12.225 8.475 1.00 1.00 C ATOM 1125 CG GLU A 77 79.004 -13.719 8.152 1.00 1.00 C ATOM 1126 CD GLU A 77 77.554 -14.112 7.863 1.00 1.00 C ATOM 1127 OE1 GLU A 77 77.141 -13.982 6.723 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.881 -14.538 8.788 1.00 1.00 O ATOM 0 H GLU A 77 78.393 -9.938 9.221 1.00 1.00 H new ATOM 0 HA GLU A 77 77.605 -12.624 10.001 1.00 1.00 H new ATOM 0 HB2 GLU A 77 78.533 -11.654 7.720 1.00 1.00 H new ATOM 0 HB3 GLU A 77 80.108 -11.885 8.452 1.00 1.00 H new ATOM 0 HG2 GLU A 77 79.632 -13.945 7.290 1.00 1.00 H new ATOM 0 HG3 GLU A 77 79.390 -14.301 8.989 1.00 1.00 H new ATOM 1135 N LEU A 78 80.573 -12.940 10.585 1.00 1.00 N ATOM 1136 CA LEU A 78 81.634 -13.262 11.586 1.00 1.00 C ATOM 1137 C LEU A 78 82.825 -12.322 11.374 1.00 1.00 C ATOM 1138 O LEU A 78 83.350 -11.746 12.306 1.00 1.00 O ATOM 1139 CB LEU A 78 82.080 -14.720 11.395 1.00 1.00 C ATOM 1140 CG LEU A 78 82.491 -15.315 12.743 1.00 1.00 C ATOM 1141 CD1 LEU A 78 83.532 -14.410 13.405 1.00 1.00 C ATOM 1142 CD2 LEU A 78 81.262 -15.423 13.647 1.00 1.00 C ATOM 0 H LEU A 78 80.753 -13.281 9.641 1.00 1.00 H new ATOM 0 HA LEU A 78 81.247 -13.132 12.597 1.00 1.00 H new ATOM 0 HB2 LEU A 78 81.269 -15.305 10.961 1.00 1.00 H new ATOM 0 HB3 LEU A 78 82.915 -14.766 10.696 1.00 1.00 H new ATOM 0 HG LEU A 78 82.918 -16.306 12.588 1.00 1.00 H new ATOM 0 HD11 LEU A 78 83.825 -14.834 14.365 1.00 1.00 H new ATOM 0 HD12 LEU A 78 84.408 -14.331 12.761 1.00 1.00 H new ATOM 0 HD13 LEU A 78 83.106 -13.419 13.561 1.00 1.00 H new ATOM 0 HD21 LEU A 78 81.553 -15.847 14.608 1.00 1.00 H new ATOM 0 HD22 LEU A 78 80.836 -14.432 13.802 1.00 1.00 H new ATOM 0 HD23 LEU A 78 80.520 -16.067 13.176 1.00 1.00 H new ATOM 1154 N HIS A 79 83.244 -12.156 10.148 1.00 1.00 N ATOM 1155 CA HIS A 79 84.390 -11.249 9.856 1.00 1.00 C ATOM 1156 C HIS A 79 83.839 -9.852 9.572 1.00 1.00 C ATOM 1157 O HIS A 79 82.653 -9.680 9.367 1.00 1.00 O ATOM 1158 CB HIS A 79 85.139 -11.778 8.632 1.00 1.00 C ATOM 1159 CG HIS A 79 86.187 -12.763 9.073 1.00 1.00 C ATOM 1160 ND1 HIS A 79 86.171 -14.090 8.669 1.00 1.00 N ATOM 1161 CD2 HIS A 79 87.288 -12.630 9.883 1.00 1.00 C ATOM 1162 CE1 HIS A 79 87.231 -14.699 9.230 1.00 1.00 C ATOM 1163 NE2 HIS A 79 87.943 -13.854 9.978 1.00 1.00 N ATOM 0 H HIS A 79 82.838 -12.613 9.331 1.00 1.00 H new ATOM 0 HA HIS A 79 85.075 -11.206 10.703 1.00 1.00 H new ATOM 0 HB2 HIS A 79 84.442 -12.256 7.944 1.00 1.00 H new ATOM 0 HB3 HIS A 79 85.604 -10.953 8.092 1.00 1.00 H new ATOM 0 HD2 HIS A 79 87.597 -11.717 10.370 1.00 1.00 H new ATOM 0 HE1 HIS A 79 87.475 -15.742 9.092 1.00 1.00 H new ATOM 0 HE2 HIS A 79 88.789 -14.062 10.508 1.00 1.00 H new ATOM 1172 N GLU A 80 84.674 -8.848 9.558 1.00 1.00 N ATOM 1173 CA GLU A 80 84.169 -7.474 9.285 1.00 1.00 C ATOM 1174 C GLU A 80 84.364 -7.166 7.803 1.00 1.00 C ATOM 1175 O GLU A 80 83.448 -6.774 7.108 1.00 1.00 O ATOM 1176 CB GLU A 80 84.957 -6.469 10.136 1.00 1.00 C ATOM 1177 CG GLU A 80 84.129 -5.196 10.326 1.00 1.00 C ATOM 1178 CD GLU A 80 83.178 -5.378 11.511 1.00 1.00 C ATOM 1179 OE1 GLU A 80 82.731 -6.493 11.720 1.00 1.00 O ATOM 1180 OE2 GLU A 80 82.914 -4.398 12.188 1.00 1.00 O ATOM 0 H GLU A 80 85.678 -8.920 9.723 1.00 1.00 H new ATOM 0 HA GLU A 80 83.111 -7.403 9.537 1.00 1.00 H new ATOM 0 HB2 GLU A 80 85.197 -6.907 11.105 1.00 1.00 H new ATOM 0 HB3 GLU A 80 85.904 -6.230 9.651 1.00 1.00 H new ATOM 0 HG2 GLU A 80 84.787 -4.344 10.501 1.00 1.00 H new ATOM 0 HG3 GLU A 80 83.562 -4.980 9.421 1.00 1.00 H new ATOM 1187 N LEU A 81 85.561 -7.343 7.323 1.00 1.00 N ATOM 1188 CA LEU A 81 85.855 -7.069 5.889 1.00 1.00 C ATOM 1189 C LEU A 81 85.891 -8.391 5.113 1.00 1.00 C ATOM 1190 O LEU A 81 85.233 -8.555 4.104 1.00 1.00 O ATOM 1191 CB LEU A 81 87.218 -6.358 5.779 1.00 1.00 C ATOM 1192 CG LEU A 81 87.977 -6.497 7.100 1.00 1.00 C ATOM 1193 CD1 LEU A 81 88.490 -7.930 7.247 1.00 1.00 C ATOM 1194 CD2 LEU A 81 89.162 -5.528 7.110 1.00 1.00 C ATOM 0 H LEU A 81 86.358 -7.670 7.869 1.00 1.00 H new ATOM 0 HA LEU A 81 85.079 -6.430 5.468 1.00 1.00 H new ATOM 0 HB2 LEU A 81 87.801 -6.791 4.966 1.00 1.00 H new ATOM 0 HB3 LEU A 81 87.072 -5.304 5.541 1.00 1.00 H new ATOM 0 HG LEU A 81 87.309 -6.265 7.929 1.00 1.00 H new ATOM 0 HD11 LEU A 81 89.031 -8.028 8.188 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.647 -8.621 7.239 1.00 1.00 H new ATOM 0 HD13 LEU A 81 89.159 -8.164 6.419 1.00 1.00 H new ATOM 0 HD21 LEU A 81 89.704 -5.626 8.051 1.00 1.00 H new ATOM 0 HD22 LEU A 81 89.830 -5.761 6.281 1.00 1.00 H new ATOM 0 HD23 LEU A 81 88.797 -4.506 7.006 1.00 1.00 H new ATOM 1206 N ALA A 82 86.671 -9.326 5.576 1.00 1.00 N ATOM 1207 CA ALA A 82 86.788 -10.640 4.884 1.00 1.00 C ATOM 1208 C ALA A 82 85.493 -11.439 5.008 1.00 1.00 C ATOM 1209 O ALA A 82 85.216 -12.029 6.029 1.00 1.00 O ATOM 1210 CB ALA A 82 87.927 -11.434 5.527 1.00 1.00 C ATOM 0 H ALA A 82 87.241 -9.235 6.417 1.00 1.00 H new ATOM 0 HA ALA A 82 86.988 -10.465 3.827 1.00 1.00 H new ATOM 0 HB1 ALA A 82 88.024 -12.399 5.030 1.00 1.00 H new ATOM 0 HB2 ALA A 82 88.860 -10.879 5.426 1.00 1.00 H new ATOM 0 HB3 ALA A 82 87.710 -11.591 6.584 1.00 1.00 H new ATOM 1216 N GLN A 83 84.714 -11.493 3.966 1.00 1.00 N ATOM 1217 CA GLN A 83 83.454 -12.285 4.016 1.00 1.00 C ATOM 1218 C GLN A 83 83.278 -12.996 2.674 1.00 1.00 C ATOM 1219 O GLN A 83 82.183 -13.329 2.269 1.00 1.00 O ATOM 1220 CB GLN A 83 82.264 -11.356 4.291 1.00 1.00 C ATOM 1221 CG GLN A 83 81.211 -12.102 5.113 1.00 1.00 C ATOM 1222 CD GLN A 83 81.795 -12.472 6.477 1.00 1.00 C ATOM 1223 OE1 GLN A 83 82.129 -11.608 7.263 1.00 1.00 O ATOM 1224 NE2 GLN A 83 81.934 -13.731 6.794 1.00 1.00 N ATOM 0 H GLN A 83 84.895 -11.022 3.080 1.00 1.00 H new ATOM 0 HA GLN A 83 83.503 -13.021 4.818 1.00 1.00 H new ATOM 0 HB2 GLN A 83 82.599 -10.469 4.829 1.00 1.00 H new ATOM 0 HB3 GLN A 83 81.831 -11.014 3.351 1.00 1.00 H new ATOM 0 HG2 GLN A 83 80.326 -11.478 5.242 1.00 1.00 H new ATOM 0 HG3 GLN A 83 80.893 -13.001 4.586 1.00 1.00 H new ATOM 0 HE21 GLN A 83 81.654 -14.457 6.135 1.00 1.00 H new ATOM 0 HE22 GLN A 83 82.323 -13.989 7.701 1.00 1.00 H new ATOM 1233 N TYR A 84 84.368 -13.231 1.992 1.00 1.00 N ATOM 1234 CA TYR A 84 84.318 -13.922 0.672 1.00 1.00 C ATOM 1235 C TYR A 84 83.070 -13.505 -0.106 1.00 1.00 C ATOM 1236 O TYR A 84 82.056 -14.176 -0.082 1.00 1.00 O ATOM 1237 CB TYR A 84 84.311 -15.439 0.877 1.00 1.00 C ATOM 1238 CG TYR A 84 83.358 -15.797 1.992 1.00 1.00 C ATOM 1239 CD1 TYR A 84 83.763 -15.670 3.326 1.00 1.00 C ATOM 1240 CD2 TYR A 84 82.070 -16.256 1.692 1.00 1.00 C ATOM 1241 CE1 TYR A 84 82.879 -16.001 4.361 1.00 1.00 C ATOM 1242 CE2 TYR A 84 81.186 -16.587 2.726 1.00 1.00 C ATOM 1243 CZ TYR A 84 81.591 -16.460 4.060 1.00 1.00 C ATOM 1244 OH TYR A 84 80.720 -16.787 5.080 1.00 1.00 O ATOM 0 H TYR A 84 85.305 -12.969 2.300 1.00 1.00 H new ATOM 0 HA TYR A 84 85.201 -13.637 0.100 1.00 1.00 H new ATOM 0 HB2 TYR A 84 84.012 -15.939 -0.044 1.00 1.00 H new ATOM 0 HB3 TYR A 84 85.315 -15.788 1.118 1.00 1.00 H new ATOM 0 HD1 TYR A 84 84.757 -15.317 3.557 1.00 1.00 H new ATOM 0 HD2 TYR A 84 81.758 -16.355 0.663 1.00 1.00 H new ATOM 0 HE1 TYR A 84 83.191 -15.902 5.390 1.00 1.00 H new ATOM 0 HE2 TYR A 84 80.192 -16.940 2.495 1.00 1.00 H new ATOM 0 HH TYR A 84 79.868 -17.087 4.699 1.00 1.00 H new ATOM 1254 N GLY A 85 83.139 -12.409 -0.806 1.00 1.00 N ATOM 1255 CA GLY A 85 81.964 -11.958 -1.597 1.00 1.00 C ATOM 1256 C GLY A 85 80.883 -11.410 -0.667 1.00 1.00 C ATOM 1257 O GLY A 85 79.719 -11.729 -0.812 1.00 1.00 O ATOM 0 H GLY A 85 83.959 -11.806 -0.864 1.00 1.00 H new ATOM 0 HA2 GLY A 85 82.268 -11.189 -2.307 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.567 -12.790 -2.179 1.00 1.00 H new ATOM 1261 N ILE A 86 81.252 -10.587 0.284 1.00 1.00 N ATOM 1262 CA ILE A 86 80.233 -10.013 1.218 1.00 1.00 C ATOM 1263 C ILE A 86 78.934 -9.732 0.452 1.00 1.00 C ATOM 1264 O ILE A 86 77.858 -9.735 1.015 1.00 1.00 O ATOM 1265 CB ILE A 86 80.766 -8.705 1.819 1.00 1.00 C ATOM 1266 CG1 ILE A 86 79.689 -8.077 2.706 1.00 1.00 C ATOM 1267 CG2 ILE A 86 81.126 -7.734 0.693 1.00 1.00 C ATOM 1268 CD1 ILE A 86 79.420 -8.988 3.906 1.00 1.00 C ATOM 0 H ILE A 86 82.212 -10.288 0.454 1.00 1.00 H new ATOM 0 HA ILE A 86 80.035 -10.726 2.018 1.00 1.00 H new ATOM 0 HB ILE A 86 81.654 -8.915 2.415 1.00 1.00 H new ATOM 0 HG12 ILE A 86 80.012 -7.094 3.048 1.00 1.00 H new ATOM 0 HG13 ILE A 86 78.772 -7.930 2.135 1.00 1.00 H new ATOM 0 HG21 ILE A 86 81.504 -6.805 1.120 1.00 1.00 H new ATOM 0 HG22 ILE A 86 81.892 -8.180 0.059 1.00 1.00 H new ATOM 0 HG23 ILE A 86 80.238 -7.524 0.096 1.00 1.00 H new ATOM 0 HD11 ILE A 86 78.653 -8.540 4.538 1.00 1.00 H new ATOM 0 HD12 ILE A 86 79.078 -9.961 3.554 1.00 1.00 H new ATOM 0 HD13 ILE A 86 80.337 -9.112 4.482 1.00 1.00 H new ATOM 1280 N CYS A 87 79.026 -9.498 -0.831 1.00 1.00 N ATOM 1281 CA CYS A 87 77.797 -9.227 -1.629 1.00 1.00 C ATOM 1282 C CYS A 87 76.802 -10.374 -1.432 1.00 1.00 C ATOM 1283 CB CYS A 87 78.167 -9.112 -3.113 1.00 1.00 C ATOM 1284 SG CYS A 87 77.621 -7.508 -3.750 1.00 1.00 S ATOM 0 H CYS A 87 79.899 -9.483 -1.359 1.00 1.00 H new ATOM 0 HA CYS A 87 77.343 -8.293 -1.298 1.00 1.00 H new ATOM 0 HB2 CYS A 87 79.245 -9.217 -3.239 1.00 1.00 H new ATOM 0 HB3 CYS A 87 77.699 -9.918 -3.679 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.757 -2.530 5.408 1.00 1.00 C HETATM 1291 O1G RCY A 110 63.520 -6.401 6.752 1.00 1.00 O HETATM 1292 O1H RCY A 110 59.097 -4.812 6.295 1.00 1.00 O HETATM 1293 O1J RCY A 110 64.061 -0.734 7.444 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.466 -7.395 5.869 1.00 1.00 C HETATM 1295 C1M RCY A 110 62.350 -3.873 8.832 1.00 1.00 C HETATM 1296 C1P RCY A 110 62.314 -6.303 6.532 1.00 1.00 C HETATM 1297 C1Q RCY A 110 60.069 -5.533 6.511 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.473 -5.077 6.887 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.091 -7.049 6.450 1.00 1.00 C HETATM 1300 C1U RCY A 110 61.917 -3.734 7.471 1.00 1.00 C HETATM 1301 C1V RCY A 110 64.259 -4.177 6.616 1.00 1.00 C HETATM 1302 N1V RCY A 110 63.532 -2.062 7.743 1.00 1.00 N HETATM 1303 C1W RCY A 110 63.256 -2.669 9.117 1.00 1.00 C HETATM 1304 C1X RCY A 110 63.134 -3.149 6.755 1.00 1.00 C HETATM 1305 C1Y RCY A 110 64.563 -3.123 9.774 1.00 1.00 C HETATM 1306 C1Z RCY A 110 62.546 -1.633 9.988 1.00 1.00 C HETATM 0 H1ZB RCY A 110 61.651 -1.279 9.476 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 62.265 -2.088 10.938 1.00 1.00 H new HETATM 0 H1YB RCY A 110 64.341 -3.629 10.714 1.00 1.00 H new HETATM 0 H1YA RCY A 110 65.086 -3.809 9.108 1.00 1.00 H new HETATM 0 H1VB RCY A 110 63.939 -4.978 5.950 1.00 1.00 H new HETATM 0 H1VA RCY A 110 65.144 -3.694 6.203 1.00 1.00 H new HETATM 0 H1MA RCY A 110 61.498 -3.889 9.512 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.486 -7.336 4.781 1.00 1.00 H new HETATM 0 H1CB RCY A 110 62.317 -3.294 4.767 1.00 1.00 H new HETATM 0 H1CA RCY A 110 62.035 -1.729 5.565 1.00 1.00 H new HETATM 0 H1Z RCY A 110 63.215 -0.792 10.172 1.00 1.00 H new HETATM 0 H1Y RCY A 110 65.193 -2.255 9.969 1.00 1.00 H new HETATM 0 H1V RCY A 110 64.496 -4.592 7.596 1.00 1.00 H new HETATM 0 H1U RCY A 110 61.042 -3.093 7.364 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.957 -7.487 7.439 1.00 1.00 H new HETATM 0 H1M RCY A 110 62.890 -4.809 8.975 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.793 -8.399 6.140 1.00 1.00 H new HETATM 0 H1C RCY A 110 63.650 -2.125 4.931 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.674 -3.807 -3.712 1.00 1.00 C HETATM 1310 O1G RCY A 121 68.570 -6.933 -4.389 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.690 -4.616 -5.759 1.00 1.00 O HETATM 1312 O1J RCY A 121 66.860 -1.622 -4.713 1.00 1.00 O HETATM 1313 C1L RCY A 121 67.304 -6.877 -6.482 1.00 1.00 C HETATM 1314 C1M RCY A 121 65.155 -4.454 -2.768 1.00 1.00 C HETATM 1315 C1P RCY A 121 67.599 -6.518 -5.020 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.538 -5.490 -5.592 1.00 1.00 C HETATM 1317 N1R RCY A 121 66.538 -5.581 -4.446 1.00 1.00 N HETATM 1318 C1S RCY A 121 65.783 -6.684 -6.497 1.00 1.00 C HETATM 1319 C1U RCY A 121 66.483 -4.903 -3.075 1.00 1.00 C HETATM 1320 C1V RCY A 121 67.495 -3.137 -1.570 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.441 -2.677 -3.794 1.00 1.00 N HETATM 1322 C1W RCY A 121 65.015 -3.067 -3.408 1.00 1.00 C HETATM 1323 C1X RCY A 121 67.327 -3.632 -3.008 1.00 1.00 C HETATM 1324 C1Y RCY A 121 64.439 -2.065 -2.403 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.152 -3.121 -4.669 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.610 -3.793 -5.395 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.157 -3.487 -4.414 1.00 1.00 H new HETATM 0 H1YB RCY A 121 63.456 -2.403 -2.075 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.103 -1.991 -1.542 1.00 1.00 H new HETATM 0 H1VB RCY A 121 68.085 -3.858 -1.004 1.00 1.00 H new HETATM 0 H1VA RCY A 121 68.005 -2.174 -1.574 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.409 -5.143 -3.165 1.00 1.00 H new HETATM 0 H1LA RCY A 121 67.815 -6.219 -7.185 1.00 1.00 H new HETATM 0 H1CB RCY A 121 69.232 -4.613 -3.235 1.00 1.00 H new HETATM 0 H1CA RCY A 121 68.507 -4.052 -4.761 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.072 -2.122 -5.098 1.00 1.00 H new HETATM 0 H1Y RCY A 121 64.347 -1.087 -2.876 1.00 1.00 H new HETATM 0 H1V RCY A 121 66.515 -3.026 -1.106 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.848 -5.663 -2.384 1.00 1.00 H new HETATM 0 H1S RCY A 121 65.267 -7.572 -6.130 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.000 -4.403 -1.690 1.00 1.00 H new HETATM 0 H1L RCY A 121 67.598 -7.897 -6.729 1.00 1.00 H new HETATM 0 H1C RCY A 121 69.244 -2.881 -3.642 1.00 1.00 H new HETATM 1328 C1C RCY A 130 77.420 3.094 -10.662 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.932 4.720 -7.165 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.604 2.510 -11.121 1.00 1.00 O HETATM 1331 O1J RCY A 130 76.299 2.149 -8.031 1.00 1.00 O HETATM 1332 C1L RCY A 130 81.897 2.882 -8.462 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.193 5.482 -7.943 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.849 3.949 -8.120 1.00 1.00 C HETATM 1335 C1Q RCY A 130 80.035 2.741 -9.993 1.00 1.00 C HETATM 1336 N1R RCY A 130 79.688 3.936 -9.113 1.00 1.00 N HETATM 1337 C1S RCY A 130 81.015 1.881 -9.216 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.484 4.875 -9.210 1.00 1.00 C HETATM 1339 C1V RCY A 130 76.075 5.122 -9.951 1.00 1.00 C HETATM 1340 N1V RCY A 130 76.877 3.472 -8.246 1.00 1.00 N HETATM 1341 C1W RCY A 130 77.300 4.490 -7.188 1.00 1.00 C HETATM 1342 C1X RCY A 130 77.192 4.146 -9.575 1.00 1.00 C HETATM 1343 C1Y RCY A 130 76.074 5.201 -6.608 1.00 1.00 C HETATM 1344 C1Z RCY A 130 78.077 3.771 -6.085 1.00 1.00 C HETATM 0 H1ZB RCY A 130 78.910 3.222 -6.525 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 78.460 4.503 -5.374 1.00 1.00 H new HETATM 0 H1VA RCY A 130 75.145 4.572 -10.094 1.00 1.00 H new HETATM 0 H1MA RCY A 130 79.109 5.682 -7.387 1.00 1.00 H new HETATM 0 H1LA RCY A 130 82.705 3.274 -9.079 1.00 1.00 H new HETATM 0 H1CB RCY A 130 77.805 3.577 -11.560 1.00 1.00 H new HETATM 0 H1CA RCY A 130 78.140 2.356 -10.309 1.00 1.00 H new HETATM 0 H1Z RCY A 130 77.416 3.075 -5.569 1.00 1.00 H new HETATM 0 H1Y RCY A 130 75.453 4.480 -6.076 1.00 1.00 H new HETATM 0 H1U RCY A 130 78.767 5.598 -9.976 1.00 1.00 H new HETATM 0 H1S RCY A 130 80.497 1.213 -8.528 1.00 1.00 H new HETATM 0 H1M RCY A 130 77.687 6.438 -8.077 1.00 1.00 H new HETATM 0 H1L RCY A 130 82.356 2.448 -7.574 1.00 1.00 H new HETATM 0 H1C RCY A 130 76.477 2.599 -10.892 1.00 1.00 H new HETATM 1347 C1C RCY A 138 78.039 4.239 -1.030 1.00 1.00 C HETATM 1348 O1G RCY A 138 77.071 6.429 0.467 1.00 1.00 O HETATM 1349 O1H RCY A 138 80.867 8.048 -1.830 1.00 1.00 O HETATM 1350 O1J RCY A 138 79.649 4.320 -3.574 1.00 1.00 O HETATM 1351 C1L RCY A 138 77.526 8.488 -0.776 1.00 1.00 C HETATM 1352 C1M RCY A 138 81.452 5.529 -0.412 1.00 1.00 C HETATM 1353 C1P RCY A 138 77.868 7.124 -0.162 1.00 1.00 C HETATM 1354 C1Q RCY A 138 79.860 7.979 -1.127 1.00 1.00 C HETATM 1355 N1R RCY A 138 79.322 6.737 -0.428 1.00 1.00 N HETATM 1356 C1S RCY A 138 78.920 9.124 -0.795 1.00 1.00 C HETATM 1357 C1U RCY A 138 80.058 5.440 -0.085 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.094 2.922 -0.345 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.207 4.550 -2.244 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.568 5.149 -1.894 1.00 1.00 C HETATM 1361 C1X RCY A 138 79.563 4.245 -0.899 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.678 4.115 -2.100 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.811 6.381 -2.766 1.00 1.00 C HETATM 0 H1ZB RCY A 138 80.981 7.078 -2.651 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 82.737 6.867 -2.459 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.629 4.531 -1.767 1.00 1.00 H new HETATM 0 H1YA RCY A 138 82.452 3.219 -1.523 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.813 2.108 -1.014 1.00 1.00 H new HETATM 0 H1MA RCY A 138 81.829 6.537 -0.238 1.00 1.00 H new HETATM 0 H1LA RCY A 138 77.094 8.400 -1.773 1.00 1.00 H new HETATM 0 H1CB RCY A 138 77.589 4.187 -0.039 1.00 1.00 H new HETATM 0 H1CA RCY A 138 77.713 5.151 -1.529 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.889 6.078 -3.810 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.745 3.858 -3.157 1.00 1.00 H new HETATM 0 H1S RCY A 138 79.165 9.571 0.169 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.042 4.856 0.210 1.00 1.00 H new HETATM 0 H1L RCY A 138 76.818 9.053 -0.170 1.00 1.00 H new HETATM 0 H1C RCY A 138 77.728 3.374 -1.615 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.964 4.329 2.430 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.776 4.070 6.013 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.757 7.624 3.074 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.067 3.157 -0.195 1.00 1.00 O HETATM 1370 C1L RCY A 150 81.306 6.447 6.358 1.00 1.00 C HETATM 1371 C1M RCY A 150 80.290 4.554 2.050 1.00 1.00 C HETATM 1372 C1P RCY A 150 81.531 5.175 5.530 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.223 6.962 4.000 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.414 5.451 4.032 1.00 1.00 N HETATM 1375 C1S RCY A 150 81.717 7.506 5.329 1.00 1.00 C HETATM 1376 C1U RCY A 150 81.472 4.471 2.858 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.619 6.254 1.474 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.197 3.908 0.705 1.00 1.00 N HETATM 1379 C1W RCY A 150 80.672 3.994 0.674 1.00 1.00 C HETATM 1380 C1X RCY A 150 82.607 4.780 1.884 1.00 1.00 C HETATM 1381 C1Y RCY A 150 80.212 4.940 -0.439 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.096 2.594 0.465 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.483 1.923 1.232 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 79.009 2.634 0.533 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.860 6.871 2.340 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.368 6.410 0.698 1.00 1.00 H new HETATM 0 H1MA RCY A 150 79.476 3.980 2.492 1.00 1.00 H new HETATM 0 H1LA RCY A 150 80.271 6.558 6.680 1.00 1.00 H new HETATM 0 H1CB RCY A 150 84.169 4.845 3.368 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.947 3.253 2.604 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.384 2.225 -0.519 1.00 1.00 H new HETATM 0 H1V RCY A 150 81.637 6.533 1.092 1.00 1.00 H new HETATM 0 H1U RCY A 150 81.601 3.496 3.328 1.00 1.00 H new HETATM 0 H1S RCY A 150 82.797 7.652 5.321 1.00 1.00 H new HETATM 0 H1M RCY A 150 79.946 5.585 1.969 1.00 1.00 H new HETATM 0 H1L RCY A 150 81.924 6.475 7.256 1.00 1.00 H new HETATM 0 H1C RCY A 150 84.744 4.567 1.707 1.00 1.00 H new HETATM 1385 C1C RCY A 160 72.900 -0.094 -7.385 1.00 1.00 C HETATM 1386 O1G RCY A 160 71.579 2.751 -7.404 1.00 1.00 O HETATM 1387 O1H RCY A 160 75.338 3.672 -4.700 1.00 1.00 O HETATM 1388 O1J RCY A 160 72.168 -2.305 -5.476 1.00 1.00 O HETATM 1389 C1L RCY A 160 72.960 4.744 -7.079 1.00 1.00 C HETATM 1390 C1M RCY A 160 72.869 1.115 -3.888 1.00 1.00 C HETATM 1391 C1P RCY A 160 72.511 3.301 -6.820 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.268 3.773 -5.297 1.00 1.00 C HETATM 1393 N1R RCY A 160 73.366 2.630 -5.746 1.00 1.00 N HETATM 1394 C1S RCY A 160 73.600 5.067 -5.724 1.00 1.00 C HETATM 1395 C1U RCY A 160 73.334 1.185 -5.244 1.00 1.00 C HETATM 1396 C1V RCY A 160 70.971 0.969 -6.129 1.00 1.00 C HETATM 1397 N1V RCY A 160 72.280 -0.900 -5.096 1.00 1.00 N HETATM 1398 C1W RCY A 160 72.355 -0.316 -3.686 1.00 1.00 C HETATM 1399 C1X RCY A 160 72.348 0.311 -6.017 1.00 1.00 C HETATM 1400 C1Y RCY A 160 70.969 -0.304 -3.037 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.333 -1.145 -2.853 1.00 1.00 C HETATM 0 H1ZB RCY A 160 74.296 -1.191 -3.362 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.461 -0.682 -1.875 1.00 1.00 H new HETATM 0 H1YB RCY A 160 71.026 0.191 -2.067 1.00 1.00 H new HETATM 0 H1YA RCY A 160 70.271 0.234 -3.679 1.00 1.00 H new HETATM 0 H1VB RCY A 160 71.045 1.865 -6.746 1.00 1.00 H new HETATM 0 H1VA RCY A 160 70.270 0.271 -6.586 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.673 1.342 -3.188 1.00 1.00 H new HETATM 0 H1LA RCY A 160 73.669 4.819 -7.904 1.00 1.00 H new HETATM 0 H1CB RCY A 160 73.101 0.800 -7.976 1.00 1.00 H new HETATM 0 H1CA RCY A 160 73.824 -0.656 -7.252 1.00 1.00 H new HETATM 0 H1Z RCY A 160 72.940 -2.154 -2.728 1.00 1.00 H new HETATM 0 H1Y RCY A 160 70.622 -1.328 -2.902 1.00 1.00 H new HETATM 0 H1V RCY A 160 70.616 1.241 -5.135 1.00 1.00 H new HETATM 0 H1U RCY A 160 74.359 0.835 -5.364 1.00 1.00 H new HETATM 0 H1S RCY A 160 72.852 5.385 -4.998 1.00 1.00 H new HETATM 0 H1M RCY A 160 72.077 1.842 -3.710 1.00 1.00 H new HETATM 0 H1L RCY A 160 72.126 5.405 -7.315 1.00 1.00 H new HETATM 0 H1C RCY A 160 72.169 -0.715 -7.903 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.372 3.321 -0.128 1.00 1.00 C HETATM 1405 O1G RCY A 168 72.209 1.707 4.985 1.00 1.00 O HETATM 1406 O1H RCY A 168 75.264 3.510 1.869 1.00 1.00 O HETATM 1407 O1J RCY A 168 70.645 2.876 -1.326 1.00 1.00 O HETATM 1408 C1L RCY A 168 74.405 2.761 5.211 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.067 1.785 2.326 1.00 1.00 C HETATM 1410 C1P RCY A 168 73.196 2.207 4.448 1.00 1.00 C HETATM 1411 C1Q RCY A 168 74.781 2.915 2.831 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.368 2.355 2.937 1.00 1.00 N HETATM 1413 C1S RCY A 168 75.488 2.603 4.137 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.384 2.027 1.812 1.00 1.00 C HETATM 1415 C1V RCY A 168 71.900 4.500 1.566 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.952 2.711 0.091 1.00 1.00 N HETATM 1417 C1W RCY A 168 70.102 2.023 1.157 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.192 3.187 0.837 1.00 1.00 C HETATM 1419 C1Y RCY A 168 68.947 2.931 1.590 1.00 1.00 C HETATM 1420 C1Z RCY A 168 69.570 0.704 0.598 1.00 1.00 C HETATM 0 H1ZB RCY A 168 70.403 0.098 0.242 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 69.038 0.165 1.382 1.00 1.00 H new HETATM 0 H1YB RCY A 168 68.402 2.461 2.408 1.00 1.00 H new HETATM 0 H1YA RCY A 168 69.343 3.891 1.922 1.00 1.00 H new HETATM 0 H1VB RCY A 168 72.777 4.801 2.139 1.00 1.00 H new HETATM 0 H1VA RCY A 168 71.659 5.275 0.838 1.00 1.00 H new HETATM 0 H1MA RCY A 168 70.977 0.766 2.704 1.00 1.00 H new HETATM 0 H1LA RCY A 168 74.267 3.799 5.515 1.00 1.00 H new HETATM 0 H1CB RCY A 168 74.287 3.498 0.438 1.00 1.00 H new HETATM 0 H1CA RCY A 168 73.475 2.403 -0.706 1.00 1.00 H new HETATM 0 H1Z RCY A 168 68.889 0.907 -0.229 1.00 1.00 H new HETATM 0 H1Y RCY A 168 68.273 3.089 0.748 1.00 1.00 H new HETATM 0 H1V RCY A 168 71.055 4.361 2.241 1.00 1.00 H new HETATM 0 H1U RCY A 168 72.817 1.156 1.320 1.00 1.00 H new HETATM 0 H1S RCY A 168 75.899 1.593 4.134 1.00 1.00 H new HETATM 0 H1M RCY A 168 70.844 2.454 3.157 1.00 1.00 H new HETATM 0 H1L RCY A 168 74.626 2.191 6.114 1.00 1.00 H new HETATM 0 H1C RCY A 168 73.196 4.157 -0.804 1.00 1.00 H new HETATM 1423 C1C RCY A 173 77.186 -6.932 6.854 1.00 1.00 C HETATM 1424 O1G RCY A 173 78.831 -2.916 3.869 1.00 1.00 O HETATM 1425 O1H RCY A 173 78.910 -5.989 7.453 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.522 -4.951 8.396 1.00 1.00 O HETATM 1427 C1L RCY A 173 80.412 -3.323 5.692 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.989 -4.198 4.665 1.00 1.00 C HETATM 1429 C1P RCY A 173 79.123 -3.539 4.888 1.00 1.00 C HETATM 1430 C1Q RCY A 173 79.016 -4.964 6.783 1.00 1.00 C HETATM 1431 N1R RCY A 173 78.247 -4.625 5.512 1.00 1.00 N HETATM 1432 C1S RCY A 173 79.943 -3.797 7.072 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.935 -5.224 5.001 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.073 -6.879 5.453 1.00 1.00 C HETATM 1435 N1V RCY A 173 75.655 -4.951 6.942 1.00 1.00 N HETATM 1436 C1W RCY A 173 75.265 -3.840 5.968 1.00 1.00 C HETATM 1437 C1X RCY A 173 76.213 -6.058 6.058 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.749 -3.824 5.755 1.00 1.00 C HETATM 1439 C1Z RCY A 173 75.746 -2.499 6.521 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.816 -2.551 6.723 1.00 1.00 H new HETATM 0 H1YA RCY A 173 73.417 -4.809 5.426 1.00 1.00 H new HETATM 0 H1MA RCY A 173 76.492 -3.326 4.247 1.00 1.00 H new HETATM 0 H1LA RCY A 173 81.246 -3.912 5.310 1.00 1.00 H new HETATM 0 H1CB RCY A 173 77.703 -7.612 6.176 1.00 1.00 H new HETATM 0 H1CA RCY A 173 77.916 -6.298 7.358 1.00 1.00 H new HETATM 0 H1Z RCY A 173 75.213 -2.274 7.445 1.00 1.00 H new HETATM 0 H1U RCY A 173 77.231 -5.830 4.145 1.00 1.00 H new HETATM 0 H1S RCY A 173 79.424 -3.003 7.609 1.00 1.00 H new HETATM 0 H1L RCY A 173 80.732 -2.281 5.695 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.078 -4.098 3.793 1.00 1.00 C HETATM 1443 O1G RCY A 176 74.070 -8.471 5.063 1.00 1.00 O HETATM 1444 O1H RCY A 176 75.157 -4.537 7.438 1.00 1.00 O HETATM 1445 O1J RCY A 176 74.098 -2.345 2.352 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.013 -8.062 7.284 1.00 1.00 C HETATM 1447 C1M RCY A 176 72.601 -4.991 4.690 1.00 1.00 C HETATM 1448 C1P RCY A 176 74.476 -7.668 5.902 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.191 -5.674 6.971 1.00 1.00 C HETATM 1450 N1R RCY A 176 74.506 -6.154 5.697 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.927 -6.863 7.561 1.00 1.00 C HETATM 1452 C1U RCY A 176 73.986 -5.325 4.521 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.704 -3.222 5.735 1.00 1.00 C HETATM 1454 N1V RCY A 176 73.743 -3.272 3.423 1.00 1.00 N HETATM 1455 C1W RCY A 176 72.348 -3.759 3.812 1.00 1.00 C HETATM 1456 C1X RCY A 176 74.680 -3.969 4.400 1.00 1.00 C HETATM 1457 C1Y RCY A 176 71.605 -2.678 4.603 1.00 1.00 C HETATM 1458 C1Z RCY A 176 71.575 -4.128 2.546 1.00 1.00 C HETATM 0 H1ZB RCY A 176 72.148 -4.853 1.968 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 70.613 -4.561 2.820 1.00 1.00 H new HETATM 0 H1YB RCY A 176 70.647 -3.071 4.945 1.00 1.00 H new HETATM 0 H1YA RCY A 176 72.204 -2.381 5.464 1.00 1.00 H new HETATM 0 H1MA RCY A 176 71.961 -5.821 4.390 1.00 1.00 H new HETATM 0 H1LA RCY A 176 74.221 -8.164 8.026 1.00 1.00 H new HETATM 0 H1CB RCY A 176 76.691 -4.741 4.425 1.00 1.00 H new HETATM 0 H1CA RCY A 176 76.003 -4.534 2.797 1.00 1.00 H new HETATM 0 H1Z RCY A 176 71.412 -3.233 1.945 1.00 1.00 H new HETATM 0 H1Y RCY A 176 71.435 -1.812 3.964 1.00 1.00 H new HETATM 0 H1U RCY A 176 74.171 -5.951 3.648 1.00 1.00 H new HETATM 0 H1M RCY A 176 72.377 -4.777 5.735 1.00 1.00 H new HETATM 0 H1L RCY A 176 75.557 -9.006 7.267 1.00 1.00 H new HETATM 0 H1C RCY A 176 76.537 -3.112 3.724 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.242 -3.512 1.449 1.00 1.00 C HETATM 1462 O1G RCY A 187 75.414 -7.166 0.877 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.383 -6.427 -1.573 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.498 -2.956 3.364 1.00 1.00 O HETATM 1465 C1L RCY A 187 76.073 -7.649 -1.429 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.565 -6.385 1.650 1.00 1.00 C HETATM 1467 C1P RCY A 187 76.260 -7.090 -0.013 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.198 -6.516 -1.255 1.00 1.00 C HETATM 1469 N1R RCY A 187 77.626 -6.428 0.154 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.031 -6.735 -2.201 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.265 -5.828 1.408 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.253 -3.985 -0.021 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.448 -4.111 2.473 1.00 1.00 N HETATM 1474 C1W RCY A 187 80.308 -5.372 2.528 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.525 -4.328 1.281 1.00 1.00 C HETATM 1476 C1Y RCY A 187 81.704 -5.092 1.965 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.398 -5.853 3.977 1.00 1.00 C HETATM 0 H1ZB RCY A 187 79.394 -5.988 4.378 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 80.934 -6.801 4.013 1.00 1.00 H new HETATM 0 H1YB RCY A 187 82.277 -6.019 1.934 1.00 1.00 H new HETATM 0 H1YA RCY A 187 81.615 -4.687 0.957 1.00 1.00 H new HETATM 0 H1VB RCY A 187 78.601 -4.196 -0.869 1.00 1.00 H new HETATM 0 H1VA RCY A 187 79.519 -2.928 -0.022 1.00 1.00 H new HETATM 0 H1MA RCY A 187 79.488 -7.351 2.150 1.00 1.00 H new HETATM 0 H1LA RCY A 187 76.350 -8.701 -1.502 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.524 -3.801 0.681 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.816 -3.703 2.434 1.00 1.00 H new HETATM 0 H1Z RCY A 187 80.930 -5.112 4.574 1.00 1.00 H new HETATM 0 H1Y RCY A 187 82.215 -4.371 2.602 1.00 1.00 H new HETATM 0 H1V RCY A 187 80.158 -4.587 -0.101 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.552 -6.046 2.203 1.00 1.00 H new HETATM 0 H1S RCY A 187 76.553 -5.792 -2.465 1.00 1.00 H new HETATM 0 H1M RCY A 187 80.097 -6.553 0.714 1.00 1.00 H new HETATM 0 H1L RCY A 187 75.044 -7.565 -1.778 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.470 -2.451 1.352 1.00 1.00 H new