USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 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 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 160 RCY C1P :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 160 RCY C1S :(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 RCYH1LA : A 138 RCY C1L : A 37 GLN C :(H bumps) USER MOD NoAdj-H: A 138 RCY H1L : A 138 RCY C1L : A 37 GLN C :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VB : A 150 RCY C1V : A 187 RCY N1R :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 187 RCY C1U :(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 H1V : A 150 RCY C1V : A 187 RCY C1P :(H bumps) USER MOD NoAdj-H: A 150 RCY H1C : A 150 RCY C1C : A 187 RCY C1U :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CA : A 160 RCY C1C : A 130 RCY O1J :(H bumps) USER MOD NoAdj-H: A 160 RCY H1S : A 160 RCY C1S : A 130 RCY C1V :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 187 RCY C1C :(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 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 150 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1MA : A 187 RCY C1M : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCY H1U : A 187 RCY C1U : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 150 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 176 RCY C1V :(H bumps) USER MOD Set 1.1: A 35 THR OG1 : rot -89:sc= 0.945 USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= -0.636 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0924) USER MOD Set 2.2: A 31 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.813 K(o=-0.81,f=-3.4!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 14 THR OG1 : rot -66:sc= -0.559! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.131 (180deg=-0.768) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -3.52! C(o=-8.2!,f=-3.5!) USER MOD Single : A 37 GLN : amide:sc= -25.8! C(o=-26!,f=-35!) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= -0.174 (180deg=-0.786) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0753 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -127:sc= -1.56 (180deg=-3.95!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -4.55! C(o=-4.5!,f=-9.1!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -3.2 F(o=-3.9!,f=-3.2) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-3.3!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.665 -12.790 16.619 1.00 1.00 N ATOM 2 CA MET A 1 61.130 -13.573 17.768 1.00 1.00 C ATOM 3 C MET A 1 61.264 -12.749 19.052 1.00 1.00 C ATOM 4 O MET A 1 60.720 -11.669 19.165 1.00 1.00 O ATOM 5 CB MET A 1 61.921 -14.877 17.906 1.00 1.00 C ATOM 6 CG MET A 1 61.177 -15.829 18.845 1.00 1.00 C ATOM 7 SD MET A 1 59.784 -16.577 17.965 1.00 1.00 S ATOM 8 CE MET A 1 58.766 -16.939 19.418 1.00 1.00 C ATOM 0 H1 MET A 1 61.575 -13.348 15.746 1.00 1.00 H new ATOM 0 H2 MET A 1 61.127 -11.905 16.521 1.00 1.00 H new ATOM 0 H3 MET A 1 62.667 -12.569 16.786 1.00 1.00 H new ATOM 0 HA MET A 1 60.079 -13.804 17.596 1.00 1.00 H new ATOM 0 HB2 MET A 1 62.051 -15.341 16.928 1.00 1.00 H new ATOM 0 HB3 MET A 1 62.918 -14.670 18.295 1.00 1.00 H new ATOM 0 HG2 MET A 1 61.853 -16.605 19.204 1.00 1.00 H new ATOM 0 HG3 MET A 1 60.819 -15.287 19.721 1.00 1.00 H new ATOM 0 HE1 MET A 1 57.837 -17.414 19.102 1.00 1.00 H new ATOM 0 HE2 MET A 1 59.308 -17.610 20.084 1.00 1.00 H new ATOM 0 HE3 MET A 1 58.539 -16.011 19.943 1.00 1.00 H new ATOM 17 N ASN A 2 61.982 -13.249 20.021 1.00 1.00 N ATOM 18 CA ASN A 2 62.146 -12.492 21.293 1.00 1.00 C ATOM 19 C ASN A 2 62.953 -11.220 21.028 1.00 1.00 C ATOM 20 O ASN A 2 62.724 -10.190 21.631 1.00 1.00 O ATOM 21 CB ASN A 2 62.886 -13.361 22.312 1.00 1.00 C ATOM 22 CG ASN A 2 62.957 -12.628 23.653 1.00 1.00 C ATOM 23 OD1 ASN A 2 63.538 -11.565 23.748 1.00 1.00 O ATOM 24 ND2 ASN A 2 62.386 -13.155 24.702 1.00 1.00 N ATOM 0 H ASN A 2 62.462 -14.149 19.986 1.00 1.00 H new ATOM 0 HA ASN A 2 61.165 -12.226 21.686 1.00 1.00 H new ATOM 0 HB2 ASN A 2 62.372 -14.315 22.434 1.00 1.00 H new ATOM 0 HB3 ASN A 2 63.891 -13.584 21.954 1.00 1.00 H new ATOM 0 HD21 ASN A 2 62.428 -12.674 25.601 1.00 1.00 H new ATOM 0 HD22 ASN A 2 61.898 -14.047 24.623 1.00 1.00 H new ATOM 31 N LEU A 3 63.896 -11.283 20.129 1.00 1.00 N ATOM 32 CA LEU A 3 64.717 -10.078 19.824 1.00 1.00 C ATOM 33 C LEU A 3 65.481 -10.309 18.516 1.00 1.00 C ATOM 34 O LEU A 3 66.147 -9.428 18.009 1.00 1.00 O ATOM 35 CB LEU A 3 65.708 -9.835 20.973 1.00 1.00 C ATOM 36 CG LEU A 3 65.808 -8.335 21.255 1.00 1.00 C ATOM 37 CD1 LEU A 3 66.724 -8.101 22.458 1.00 1.00 C ATOM 38 CD2 LEU A 3 66.385 -7.624 20.030 1.00 1.00 C ATOM 0 H LEU A 3 64.134 -12.117 19.592 1.00 1.00 H new ATOM 0 HA LEU A 3 64.072 -9.206 19.716 1.00 1.00 H new ATOM 0 HB2 LEU A 3 65.379 -10.363 21.868 1.00 1.00 H new ATOM 0 HB3 LEU A 3 66.689 -10.232 20.711 1.00 1.00 H new ATOM 0 HG LEU A 3 64.816 -7.940 21.472 1.00 1.00 H new ATOM 0 HD11 LEU A 3 66.795 -7.032 22.659 1.00 1.00 H new ATOM 0 HD12 LEU A 3 66.314 -8.608 23.332 1.00 1.00 H new ATOM 0 HD13 LEU A 3 67.717 -8.496 22.242 1.00 1.00 H new ATOM 0 HD21 LEU A 3 66.457 -6.555 20.230 1.00 1.00 H new ATOM 0 HD22 LEU A 3 67.377 -8.020 19.813 1.00 1.00 H new ATOM 0 HD23 LEU A 3 65.733 -7.790 19.172 1.00 1.00 H new ATOM 50 N GLU A 4 65.388 -11.489 17.966 1.00 1.00 N ATOM 51 CA GLU A 4 66.107 -11.775 16.693 1.00 1.00 C ATOM 52 C GLU A 4 65.601 -10.825 15.601 1.00 1.00 C ATOM 53 O GLU A 4 64.463 -10.402 15.623 1.00 1.00 O ATOM 54 CB GLU A 4 65.840 -13.224 16.274 1.00 1.00 C ATOM 55 CG GLU A 4 66.562 -14.174 17.232 1.00 1.00 C ATOM 56 CD GLU A 4 68.074 -14.042 17.040 1.00 1.00 C ATOM 57 OE1 GLU A 4 68.567 -14.522 16.032 1.00 1.00 O ATOM 58 OE2 GLU A 4 68.712 -13.464 17.903 1.00 1.00 O ATOM 0 H GLU A 4 64.846 -12.266 18.343 1.00 1.00 H new ATOM 0 HA GLU A 4 67.178 -11.629 16.835 1.00 1.00 H new ATOM 0 HB2 GLU A 4 64.769 -13.425 16.284 1.00 1.00 H new ATOM 0 HB3 GLU A 4 66.185 -13.388 15.253 1.00 1.00 H new ATOM 0 HG2 GLU A 4 66.294 -13.941 18.263 1.00 1.00 H new ATOM 0 HG3 GLU A 4 66.250 -15.202 17.046 1.00 1.00 H new ATOM 65 N PRO A 5 66.438 -10.492 14.651 1.00 1.00 N ATOM 66 CA PRO A 5 66.063 -9.580 13.538 1.00 1.00 C ATOM 67 C PRO A 5 64.630 -9.829 13.043 1.00 1.00 C ATOM 68 O PRO A 5 64.127 -10.932 13.122 1.00 1.00 O ATOM 69 CB PRO A 5 67.078 -9.924 12.448 1.00 1.00 C ATOM 70 CG PRO A 5 68.299 -10.374 13.184 1.00 1.00 C ATOM 71 CD PRO A 5 67.832 -10.949 14.527 1.00 1.00 C ATOM 0 HA PRO A 5 66.080 -8.532 13.838 1.00 1.00 H new ATOM 0 HB2 PRO A 5 66.701 -10.708 11.792 1.00 1.00 H new ATOM 0 HB3 PRO A 5 67.292 -9.059 11.821 1.00 1.00 H new ATOM 0 HG2 PRO A 5 68.839 -11.127 12.610 1.00 1.00 H new ATOM 0 HG3 PRO A 5 68.984 -9.540 13.340 1.00 1.00 H new ATOM 0 HD2 PRO A 5 67.897 -12.037 14.538 1.00 1.00 H new ATOM 0 HD3 PRO A 5 68.445 -10.584 15.351 1.00 1.00 H new ATOM 79 N PRO A 6 63.980 -8.814 12.533 1.00 1.00 N ATOM 80 CA PRO A 6 62.585 -8.931 12.017 1.00 1.00 C ATOM 81 C PRO A 6 62.526 -9.672 10.677 1.00 1.00 C ATOM 82 O PRO A 6 63.272 -9.382 9.763 1.00 1.00 O ATOM 83 CB PRO A 6 62.142 -7.476 11.845 1.00 1.00 C ATOM 84 CG PRO A 6 63.404 -6.714 11.612 1.00 1.00 C ATOM 85 CD PRO A 6 64.503 -7.445 12.388 1.00 1.00 C ATOM 0 HA PRO A 6 61.947 -9.504 12.690 1.00 1.00 H new ATOM 0 HB2 PRO A 6 61.455 -7.369 11.005 1.00 1.00 H new ATOM 0 HB3 PRO A 6 61.620 -7.115 12.731 1.00 1.00 H new ATOM 0 HG2 PRO A 6 63.642 -6.673 10.549 1.00 1.00 H new ATOM 0 HG3 PRO A 6 63.305 -5.685 11.957 1.00 1.00 H new ATOM 0 HD2 PRO A 6 65.449 -7.434 11.847 1.00 1.00 H new ATOM 0 HD3 PRO A 6 64.684 -6.981 13.358 1.00 1.00 H new ATOM 93 N LYS A 7 61.644 -10.625 10.554 1.00 1.00 N ATOM 94 CA LYS A 7 61.537 -11.378 9.274 1.00 1.00 C ATOM 95 C LYS A 7 60.769 -10.539 8.256 1.00 1.00 C ATOM 96 O LYS A 7 61.289 -10.150 7.230 1.00 1.00 O ATOM 97 CB LYS A 7 60.796 -12.696 9.517 1.00 1.00 C ATOM 98 CG LYS A 7 61.302 -13.336 10.811 1.00 1.00 C ATOM 99 CD LYS A 7 62.816 -13.538 10.723 1.00 1.00 C ATOM 100 CE LYS A 7 63.268 -14.501 11.823 1.00 1.00 C ATOM 101 NZ LYS A 7 64.756 -14.504 11.900 1.00 1.00 N ATOM 0 H LYS A 7 60.993 -10.914 11.284 1.00 1.00 H new ATOM 0 HA LYS A 7 62.535 -11.590 8.891 1.00 1.00 H new ATOM 0 HB2 LYS A 7 59.723 -12.515 9.584 1.00 1.00 H new ATOM 0 HB3 LYS A 7 60.953 -13.374 8.678 1.00 1.00 H new ATOM 0 HG2 LYS A 7 61.058 -12.701 11.663 1.00 1.00 H new ATOM 0 HG3 LYS A 7 60.806 -14.293 10.974 1.00 1.00 H new ATOM 0 HD2 LYS A 7 63.084 -13.936 9.744 1.00 1.00 H new ATOM 0 HD3 LYS A 7 63.328 -12.582 10.830 1.00 1.00 H new ATOM 0 HE2 LYS A 7 62.844 -14.200 12.781 1.00 1.00 H new ATOM 0 HE3 LYS A 7 62.902 -15.506 11.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 65.064 -15.158 12.647 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 65.150 -14.811 10.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 65.094 -13.545 12.119 1.00 1.00 H new ATOM 115 N ALA A 8 59.533 -10.259 8.541 1.00 1.00 N ATOM 116 CA ALA A 8 58.709 -9.442 7.605 1.00 1.00 C ATOM 117 C ALA A 8 58.761 -10.058 6.206 1.00 1.00 C ATOM 118 O ALA A 8 58.252 -9.501 5.253 1.00 1.00 O ATOM 119 CB ALA A 8 59.256 -8.014 7.555 1.00 1.00 C ATOM 0 H ALA A 8 59.051 -10.562 9.388 1.00 1.00 H new ATOM 0 HA ALA A 8 57.677 -9.423 7.954 1.00 1.00 H new ATOM 0 HB1 ALA A 8 58.653 -7.417 6.871 1.00 1.00 H new ATOM 0 HB2 ALA A 8 59.216 -7.574 8.551 1.00 1.00 H new ATOM 0 HB3 ALA A 8 60.289 -8.032 7.207 1.00 1.00 H new ATOM 125 N GLU A 9 59.371 -11.203 6.072 1.00 1.00 N ATOM 126 CA GLU A 9 59.452 -11.851 4.734 1.00 1.00 C ATOM 127 C GLU A 9 59.991 -10.847 3.714 1.00 1.00 C ATOM 128 O GLU A 9 61.159 -10.511 3.720 1.00 1.00 O ATOM 129 CB GLU A 9 58.056 -12.313 4.308 1.00 1.00 C ATOM 130 CG GLU A 9 57.522 -13.326 5.322 1.00 1.00 C ATOM 131 CD GLU A 9 57.104 -12.597 6.601 1.00 1.00 C ATOM 132 OE1 GLU A 9 56.039 -12.003 6.600 1.00 1.00 O ATOM 133 OE2 GLU A 9 57.858 -12.646 7.560 1.00 1.00 O ATOM 0 H GLU A 9 59.817 -11.718 6.832 1.00 1.00 H new ATOM 0 HA GLU A 9 60.120 -12.711 4.785 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.383 -11.458 4.243 1.00 1.00 H new ATOM 0 HB3 GLU A 9 58.097 -12.763 3.316 1.00 1.00 H new ATOM 0 HG2 GLU A 9 56.671 -13.863 4.902 1.00 1.00 H new ATOM 0 HG3 GLU A 9 58.287 -14.069 5.548 1.00 1.00 H new ATOM 140 N CYS A 10 59.149 -10.364 2.838 1.00 1.00 N ATOM 141 CA CYS A 10 59.608 -9.381 1.815 1.00 1.00 C ATOM 142 C CYS A 10 59.025 -8.001 2.137 1.00 1.00 C ATOM 143 O CYS A 10 59.714 -7.124 2.618 1.00 1.00 O ATOM 144 CB CYS A 10 59.135 -9.833 0.428 1.00 1.00 C ATOM 145 SG CYS A 10 60.570 -10.083 -0.646 1.00 1.00 S ATOM 0 H CYS A 10 58.160 -10.609 2.788 1.00 1.00 H new ATOM 0 HA CYS A 10 60.696 -9.323 1.824 1.00 1.00 H new ATOM 0 HB2 CYS A 10 58.563 -10.757 0.510 1.00 1.00 H new ATOM 0 HB3 CYS A 10 58.470 -9.084 -0.003 1.00 1.00 H new ATOM 150 N ARG A 11 57.762 -7.801 1.875 1.00 1.00 N ATOM 151 CA ARG A 11 57.141 -6.477 2.165 1.00 1.00 C ATOM 152 C ARG A 11 56.701 -6.428 3.630 1.00 1.00 C ATOM 153 O ARG A 11 57.336 -6.994 4.498 1.00 1.00 O ATOM 154 CB ARG A 11 55.924 -6.273 1.261 1.00 1.00 C ATOM 155 CG ARG A 11 56.333 -6.477 -0.199 1.00 1.00 C ATOM 156 CD ARG A 11 55.230 -5.945 -1.117 1.00 1.00 C ATOM 157 NE ARG A 11 55.671 -6.054 -2.537 1.00 1.00 N ATOM 158 CZ ARG A 11 55.648 -7.212 -3.140 1.00 1.00 C ATOM 159 NH1 ARG A 11 55.240 -8.273 -2.499 1.00 1.00 N ATOM 160 NH2 ARG A 11 56.034 -7.307 -4.383 1.00 1.00 N ATOM 0 H ARG A 11 57.134 -8.497 1.473 1.00 1.00 H new ATOM 0 HA ARG A 11 57.869 -5.688 1.977 1.00 1.00 H new ATOM 0 HB2 ARG A 11 55.136 -6.976 1.530 1.00 1.00 H new ATOM 0 HB3 ARG A 11 55.519 -5.271 1.400 1.00 1.00 H new ATOM 0 HG2 ARG A 11 57.270 -5.959 -0.401 1.00 1.00 H new ATOM 0 HG3 ARG A 11 56.505 -7.535 -0.395 1.00 1.00 H new ATOM 0 HD2 ARG A 11 54.311 -6.512 -0.966 1.00 1.00 H new ATOM 0 HD3 ARG A 11 55.008 -4.906 -0.873 1.00 1.00 H new ATOM 0 HE ARG A 11 55.991 -5.224 -3.037 1.00 1.00 H new ATOM 0 HH11 ARG A 11 54.939 -8.198 -1.527 1.00 1.00 H new ATOM 0 HH12 ARG A 11 55.222 -9.178 -2.970 1.00 1.00 H new ATOM 0 HH21 ARG A 11 56.353 -6.477 -4.883 1.00 1.00 H new ATOM 0 HH22 ARG A 11 56.016 -8.211 -4.855 1.00 1.00 H new ATOM 174 N SER A 12 55.618 -5.755 3.912 1.00 1.00 N ATOM 175 CA SER A 12 55.136 -5.668 5.320 1.00 1.00 C ATOM 176 C SER A 12 56.196 -4.978 6.182 1.00 1.00 C ATOM 177 O SER A 12 57.341 -5.383 6.219 1.00 1.00 O ATOM 178 CB SER A 12 54.873 -7.076 5.859 1.00 1.00 C ATOM 179 OG SER A 12 54.302 -7.872 4.830 1.00 1.00 O ATOM 0 H SER A 12 55.046 -5.261 3.227 1.00 1.00 H new ATOM 0 HA SER A 12 54.212 -5.090 5.352 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.803 -7.524 6.208 1.00 1.00 H new ATOM 0 HB3 SER A 12 54.200 -7.031 6.715 1.00 1.00 H new ATOM 0 HG SER A 12 54.134 -8.775 5.171 1.00 1.00 H new ATOM 185 N ALA A 13 55.825 -3.937 6.876 1.00 1.00 N ATOM 186 CA ALA A 13 56.812 -3.224 7.734 1.00 1.00 C ATOM 187 C ALA A 13 56.070 -2.350 8.748 1.00 1.00 C ATOM 188 O ALA A 13 56.533 -1.293 9.125 1.00 1.00 O ATOM 189 CB ALA A 13 57.707 -2.343 6.859 1.00 1.00 C ATOM 0 H ALA A 13 54.881 -3.550 6.886 1.00 1.00 H new ATOM 0 HA ALA A 13 57.426 -3.953 8.263 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.429 -1.821 7.487 1.00 1.00 H new ATOM 0 HB2 ALA A 13 58.236 -2.965 6.137 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.094 -1.614 6.329 1.00 1.00 H new ATOM 195 N THR A 14 54.920 -2.786 9.188 1.00 1.00 N ATOM 196 CA THR A 14 54.137 -1.989 10.176 1.00 1.00 C ATOM 197 C THR A 14 53.902 -0.584 9.622 1.00 1.00 C ATOM 198 O THR A 14 52.857 -0.291 9.075 1.00 1.00 O ATOM 199 CB THR A 14 54.904 -1.906 11.500 1.00 1.00 C ATOM 200 OG1 THR A 14 56.036 -1.064 11.337 1.00 1.00 O ATOM 201 CG2 THR A 14 55.362 -3.305 11.916 1.00 1.00 C ATOM 0 H THR A 14 54.487 -3.665 8.904 1.00 1.00 H new ATOM 0 HA THR A 14 53.176 -2.473 10.353 1.00 1.00 H new ATOM 0 HB THR A 14 54.253 -1.496 12.272 1.00 1.00 H new ATOM 0 HG1 THR A 14 56.668 -1.483 10.716 1.00 1.00 H new ATOM 0 HG21 THR A 14 55.907 -3.244 12.858 1.00 1.00 H new ATOM 0 HG22 THR A 14 54.492 -3.950 12.041 1.00 1.00 H new ATOM 0 HG23 THR A 14 56.013 -3.719 11.146 1.00 1.00 H new ATOM 209 N ARG A 15 54.862 0.288 9.752 1.00 1.00 N ATOM 210 CA ARG A 15 54.685 1.668 9.225 1.00 1.00 C ATOM 211 C ARG A 15 56.012 2.425 9.317 1.00 1.00 C ATOM 212 O ARG A 15 56.231 3.206 10.222 1.00 1.00 O ATOM 213 CB ARG A 15 53.622 2.399 10.049 1.00 1.00 C ATOM 214 CG ARG A 15 53.432 3.814 9.499 1.00 1.00 C ATOM 215 CD ARG A 15 52.144 4.414 10.066 1.00 1.00 C ATOM 216 NE ARG A 15 50.973 3.864 9.327 1.00 1.00 N ATOM 217 CZ ARG A 15 49.762 4.175 9.700 1.00 1.00 C ATOM 218 NH1 ARG A 15 49.576 4.968 10.720 1.00 1.00 N ATOM 219 NH2 ARG A 15 48.736 3.693 9.053 1.00 1.00 N ATOM 0 H ARG A 15 55.760 0.105 10.200 1.00 1.00 H new ATOM 0 HA ARG A 15 54.366 1.619 8.184 1.00 1.00 H new ATOM 0 HB2 ARG A 15 52.679 1.853 10.011 1.00 1.00 H new ATOM 0 HB3 ARG A 15 53.924 2.442 11.095 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.285 4.437 9.767 1.00 1.00 H new ATOM 0 HG3 ARG A 15 53.386 3.789 8.410 1.00 1.00 H new ATOM 0 HD2 ARG A 15 52.059 4.183 11.128 1.00 1.00 H new ATOM 0 HD3 ARG A 15 52.166 5.500 9.977 1.00 1.00 H new ATOM 0 HE ARG A 15 51.118 3.245 8.530 1.00 1.00 H new ATOM 0 HH11 ARG A 15 50.378 5.345 11.226 1.00 1.00 H new ATOM 0 HH12 ARG A 15 48.629 5.211 11.011 1.00 1.00 H new ATOM 0 HH21 ARG A 15 48.881 3.073 8.256 1.00 1.00 H new ATOM 0 HH22 ARG A 15 47.789 3.936 9.344 1.00 1.00 H new ATOM 233 N VAL A 16 56.900 2.201 8.386 1.00 1.00 N ATOM 234 CA VAL A 16 58.212 2.908 8.419 1.00 1.00 C ATOM 235 C VAL A 16 58.117 4.192 7.590 1.00 1.00 C ATOM 236 O VAL A 16 57.320 4.295 6.679 1.00 1.00 O ATOM 237 CB VAL A 16 59.294 2.001 7.831 1.00 1.00 C ATOM 238 CG1 VAL A 16 60.659 2.677 7.972 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.306 0.669 8.584 1.00 1.00 C ATOM 0 H VAL A 16 56.773 1.559 7.604 1.00 1.00 H new ATOM 0 HA VAL A 16 58.467 3.157 9.449 1.00 1.00 H new ATOM 0 HB VAL A 16 59.084 1.822 6.776 1.00 1.00 H new ATOM 0 HG11 VAL A 16 61.430 2.031 7.553 1.00 1.00 H new ATOM 0 HG12 VAL A 16 60.652 3.627 7.437 1.00 1.00 H new ATOM 0 HG13 VAL A 16 60.869 2.856 9.026 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.077 0.022 8.166 1.00 1.00 H new ATOM 0 HG22 VAL A 16 59.516 0.849 9.638 1.00 1.00 H new ATOM 0 HG23 VAL A 16 58.334 0.186 8.485 1.00 1.00 H new ATOM 249 N MET A 17 58.923 5.171 7.899 1.00 1.00 N ATOM 250 CA MET A 17 58.874 6.445 7.127 1.00 1.00 C ATOM 251 C MET A 17 60.149 7.251 7.386 1.00 1.00 C ATOM 252 O MET A 17 60.913 6.952 8.283 1.00 1.00 O ATOM 253 CB MET A 17 57.651 7.261 7.564 1.00 1.00 C ATOM 254 CG MET A 17 57.371 7.008 9.046 1.00 1.00 C ATOM 255 SD MET A 17 58.865 7.347 10.010 1.00 1.00 S ATOM 256 CE MET A 17 58.168 6.992 11.642 1.00 1.00 C ATOM 0 H MET A 17 59.612 5.144 8.651 1.00 1.00 H new ATOM 0 HA MET A 17 58.799 6.222 6.063 1.00 1.00 H new ATOM 0 HB2 MET A 17 57.829 8.323 7.393 1.00 1.00 H new ATOM 0 HB3 MET A 17 56.783 6.983 6.966 1.00 1.00 H new ATOM 0 HG2 MET A 17 56.554 7.644 9.386 1.00 1.00 H new ATOM 0 HG3 MET A 17 57.055 5.976 9.196 1.00 1.00 H new ATOM 0 HE1 MET A 17 58.933 7.140 12.404 1.00 1.00 H new ATOM 0 HE2 MET A 17 57.330 7.662 11.833 1.00 1.00 H new ATOM 0 HE3 MET A 17 57.821 5.959 11.672 1.00 1.00 H new ATOM 266 N GLY A 18 60.384 8.273 6.608 1.00 1.00 N ATOM 267 CA GLY A 18 61.607 9.101 6.807 1.00 1.00 C ATOM 268 C GLY A 18 61.347 10.522 6.302 1.00 1.00 C ATOM 269 O GLY A 18 62.240 11.197 5.830 1.00 1.00 O ATOM 0 H GLY A 18 59.780 8.570 5.842 1.00 1.00 H new ATOM 0 HA2 GLY A 18 61.877 9.122 7.863 1.00 1.00 H new ATOM 0 HA3 GLY A 18 62.448 8.661 6.271 1.00 1.00 H new ATOM 273 N GLY A 19 60.129 10.980 6.398 1.00 1.00 N ATOM 274 CA GLY A 19 59.809 12.356 5.923 1.00 1.00 C ATOM 275 C GLY A 19 59.579 12.334 4.410 1.00 1.00 C ATOM 276 O GLY A 19 59.801 11.334 3.756 1.00 1.00 O ATOM 0 H GLY A 19 59.341 10.461 6.785 1.00 1.00 H new ATOM 0 HA2 GLY A 19 58.920 12.730 6.431 1.00 1.00 H new ATOM 0 HA3 GLY A 19 60.625 13.036 6.167 1.00 1.00 H new ATOM 280 N PRO A 20 59.135 13.433 3.860 1.00 1.00 N ATOM 281 CA PRO A 20 58.866 13.556 2.400 1.00 1.00 C ATOM 282 C PRO A 20 59.960 12.906 1.544 1.00 1.00 C ATOM 283 O PRO A 20 60.890 13.556 1.110 1.00 1.00 O ATOM 284 CB PRO A 20 58.828 15.068 2.174 1.00 1.00 C ATOM 285 CG PRO A 20 58.369 15.643 3.473 1.00 1.00 C ATOM 286 CD PRO A 20 58.840 14.687 4.574 1.00 1.00 C ATOM 0 HA PRO A 20 57.947 13.046 2.110 1.00 1.00 H new ATOM 0 HB2 PRO A 20 59.811 15.450 1.899 1.00 1.00 H new ATOM 0 HB3 PRO A 20 58.146 15.329 1.364 1.00 1.00 H new ATOM 0 HG2 PRO A 20 58.785 16.639 3.623 1.00 1.00 H new ATOM 0 HG3 PRO A 20 57.284 15.745 3.488 1.00 1.00 H new ATOM 0 HD2 PRO A 20 59.723 15.072 5.085 1.00 1.00 H new ATOM 0 HD3 PRO A 20 58.070 14.542 5.332 1.00 1.00 H new ATOM 294 N CYS A 21 59.854 11.627 1.296 1.00 1.00 N ATOM 295 CA CYS A 21 60.883 10.938 0.466 1.00 1.00 C ATOM 296 C CYS A 21 60.386 10.832 -0.977 1.00 1.00 C ATOM 297 O CYS A 21 59.645 9.934 -1.323 1.00 1.00 O ATOM 298 CB CYS A 21 61.133 9.535 1.024 1.00 1.00 C ATOM 299 SG CYS A 21 59.548 8.734 1.374 1.00 1.00 S ATOM 0 H CYS A 21 59.099 11.030 1.633 1.00 1.00 H new ATOM 0 HA CYS A 21 61.811 11.509 0.490 1.00 1.00 H new ATOM 0 HB2 CYS A 21 61.701 8.943 0.307 1.00 1.00 H new ATOM 0 HB3 CYS A 21 61.731 9.595 1.933 1.00 1.00 H new ATOM 304 N THR A 22 60.789 11.743 -1.821 1.00 1.00 N ATOM 305 CA THR A 22 60.343 11.700 -3.245 1.00 1.00 C ATOM 306 C THR A 22 61.500 12.139 -4.152 1.00 1.00 C ATOM 307 O THR A 22 61.815 13.310 -4.231 1.00 1.00 O ATOM 308 CB THR A 22 59.161 12.657 -3.437 1.00 1.00 C ATOM 309 OG1 THR A 22 59.129 13.101 -4.786 1.00 1.00 O ATOM 310 CG2 THR A 22 59.319 13.859 -2.505 1.00 1.00 C ATOM 0 H THR A 22 61.410 12.518 -1.586 1.00 1.00 H new ATOM 0 HA THR A 22 60.039 10.685 -3.502 1.00 1.00 H new ATOM 0 HB THR A 22 58.231 12.139 -3.202 1.00 1.00 H new ATOM 0 HG1 THR A 22 58.373 13.712 -4.911 1.00 1.00 H new ATOM 0 HG21 THR A 22 58.478 14.539 -2.642 1.00 1.00 H new ATOM 0 HG22 THR A 22 59.344 13.517 -1.470 1.00 1.00 H new ATOM 0 HG23 THR A 22 60.248 14.380 -2.737 1.00 1.00 H new ATOM 318 N PRO A 23 62.136 11.214 -4.833 1.00 1.00 N ATOM 319 CA PRO A 23 63.277 11.533 -5.740 1.00 1.00 C ATOM 320 C PRO A 23 62.976 12.729 -6.649 1.00 1.00 C ATOM 321 O PRO A 23 62.063 12.699 -7.450 1.00 1.00 O ATOM 322 CB PRO A 23 63.451 10.255 -6.563 1.00 1.00 C ATOM 323 CG PRO A 23 62.946 9.160 -5.682 1.00 1.00 C ATOM 324 CD PRO A 23 61.843 9.771 -4.813 1.00 1.00 C ATOM 0 HA PRO A 23 64.172 11.817 -5.187 1.00 1.00 H new ATOM 0 HB2 PRO A 23 62.887 10.305 -7.494 1.00 1.00 H new ATOM 0 HB3 PRO A 23 64.496 10.097 -6.831 1.00 1.00 H new ATOM 0 HG2 PRO A 23 62.558 8.333 -6.276 1.00 1.00 H new ATOM 0 HG3 PRO A 23 63.749 8.759 -5.064 1.00 1.00 H new ATOM 0 HD2 PRO A 23 60.853 9.559 -5.216 1.00 1.00 H new ATOM 0 HD3 PRO A 23 61.866 9.372 -3.799 1.00 1.00 H new ATOM 332 N ARG A 24 63.735 13.783 -6.525 1.00 1.00 N ATOM 333 CA ARG A 24 63.492 14.983 -7.375 1.00 1.00 C ATOM 334 C ARG A 24 64.270 14.855 -8.688 1.00 1.00 C ATOM 335 O ARG A 24 64.031 13.963 -9.477 1.00 1.00 O ATOM 336 CB ARG A 24 63.952 16.236 -6.621 1.00 1.00 C ATOM 337 CG ARG A 24 63.482 17.487 -7.367 1.00 1.00 C ATOM 338 CD ARG A 24 62.071 17.857 -6.904 1.00 1.00 C ATOM 339 NE ARG A 24 62.109 18.267 -5.472 1.00 1.00 N ATOM 340 CZ ARG A 24 62.618 19.421 -5.138 1.00 1.00 C ATOM 341 NH1 ARG A 24 63.094 20.216 -6.057 1.00 1.00 N ATOM 342 NH2 ARG A 24 62.652 19.781 -3.884 1.00 1.00 N ATOM 0 H ARG A 24 64.514 13.865 -5.871 1.00 1.00 H new ATOM 0 HA ARG A 24 62.428 15.061 -7.599 1.00 1.00 H new ATOM 0 HB2 ARG A 24 63.549 16.232 -5.608 1.00 1.00 H new ATOM 0 HB3 ARG A 24 65.038 16.240 -6.532 1.00 1.00 H new ATOM 0 HG2 ARG A 24 64.167 18.314 -7.179 1.00 1.00 H new ATOM 0 HG3 ARG A 24 63.488 17.306 -8.442 1.00 1.00 H new ATOM 0 HD2 ARG A 24 61.677 18.669 -7.515 1.00 1.00 H new ATOM 0 HD3 ARG A 24 61.400 17.007 -7.032 1.00 1.00 H new ATOM 0 HE ARG A 24 61.737 17.646 -4.753 1.00 1.00 H new ATOM 0 HH11 ARG A 24 63.068 19.935 -7.037 1.00 1.00 H new ATOM 0 HH12 ARG A 24 63.492 21.118 -5.795 1.00 1.00 H new ATOM 0 HH21 ARG A 24 62.281 19.160 -3.165 1.00 1.00 H new ATOM 0 HH22 ARG A 24 63.050 20.683 -3.623 1.00 1.00 H new ATOM 356 N LYS A 25 65.192 15.747 -8.933 1.00 1.00 N ATOM 357 CA LYS A 25 65.977 15.684 -10.200 1.00 1.00 C ATOM 358 C LYS A 25 66.762 14.372 -10.266 1.00 1.00 C ATOM 359 O LYS A 25 66.380 13.375 -9.686 1.00 1.00 O ATOM 360 CB LYS A 25 66.953 16.860 -10.254 1.00 1.00 C ATOM 361 CG LYS A 25 66.178 18.175 -10.148 1.00 1.00 C ATOM 362 CD LYS A 25 67.158 19.349 -10.162 1.00 1.00 C ATOM 363 CE LYS A 25 67.477 19.731 -11.608 1.00 1.00 C ATOM 364 NZ LYS A 25 66.258 20.297 -12.252 1.00 1.00 N ATOM 0 H LYS A 25 65.436 16.517 -8.310 1.00 1.00 H new ATOM 0 HA LYS A 25 65.291 15.735 -11.046 1.00 1.00 H new ATOM 0 HB2 LYS A 25 67.674 16.785 -9.440 1.00 1.00 H new ATOM 0 HB3 LYS A 25 67.519 16.834 -11.185 1.00 1.00 H new ATOM 0 HG2 LYS A 25 65.476 18.264 -10.978 1.00 1.00 H new ATOM 0 HG3 LYS A 25 65.590 18.190 -9.230 1.00 1.00 H new ATOM 0 HD2 LYS A 25 66.728 20.201 -9.636 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.073 19.078 -9.636 1.00 1.00 H new ATOM 0 HE2 LYS A 25 68.287 20.460 -11.633 1.00 1.00 H new ATOM 0 HE3 LYS A 25 67.820 18.856 -12.160 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 66.538 20.989 -12.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 65.713 19.531 -12.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 65.672 20.767 -11.533 1.00 1.00 H new ATOM 378 N GLY A 26 67.858 14.369 -10.977 1.00 1.00 N ATOM 379 CA GLY A 26 68.678 13.128 -11.096 1.00 1.00 C ATOM 380 C GLY A 26 68.159 12.283 -12.262 1.00 1.00 C ATOM 381 O GLY A 26 67.553 11.248 -12.069 1.00 1.00 O ATOM 0 H GLY A 26 68.222 15.176 -11.483 1.00 1.00 H new ATOM 0 HA2 GLY A 26 69.725 13.385 -11.257 1.00 1.00 H new ATOM 0 HA3 GLY A 26 68.629 12.557 -10.169 1.00 1.00 H new ATOM 385 N PRO A 27 68.394 12.732 -13.466 1.00 1.00 N ATOM 386 CA PRO A 27 67.949 12.028 -14.701 1.00 1.00 C ATOM 387 C PRO A 27 68.811 10.791 -15.001 1.00 1.00 C ATOM 388 O PRO A 27 69.935 10.692 -14.551 1.00 1.00 O ATOM 389 CB PRO A 27 68.109 13.082 -15.816 1.00 1.00 C ATOM 390 CG PRO A 27 68.531 14.353 -15.149 1.00 1.00 C ATOM 391 CD PRO A 27 69.108 13.972 -13.788 1.00 1.00 C ATOM 0 HA PRO A 27 66.929 11.656 -14.607 1.00 1.00 H new ATOM 0 HB2 PRO A 27 68.853 12.763 -16.546 1.00 1.00 H new ATOM 0 HB3 PRO A 27 67.172 13.220 -16.355 1.00 1.00 H new ATOM 0 HG2 PRO A 27 69.275 14.876 -15.751 1.00 1.00 H new ATOM 0 HG3 PRO A 27 67.683 15.028 -15.033 1.00 1.00 H new ATOM 0 HD2 PRO A 27 70.186 13.817 -13.835 1.00 1.00 H new ATOM 0 HD3 PRO A 27 68.929 14.747 -13.042 1.00 1.00 H new ATOM 399 N PRO A 28 68.290 9.857 -15.759 1.00 1.00 N ATOM 400 CA PRO A 28 69.033 8.616 -16.121 1.00 1.00 C ATOM 401 C PRO A 28 70.469 8.909 -16.571 1.00 1.00 C ATOM 402 O PRO A 28 70.695 9.730 -17.435 1.00 1.00 O ATOM 403 CB PRO A 28 68.222 8.030 -17.280 1.00 1.00 C ATOM 404 CG PRO A 28 66.832 8.545 -17.091 1.00 1.00 C ATOM 405 CD PRO A 28 66.943 9.883 -16.352 1.00 1.00 C ATOM 0 HA PRO A 28 69.129 7.941 -15.270 1.00 1.00 H new ATOM 0 HB2 PRO A 28 68.629 8.342 -18.242 1.00 1.00 H new ATOM 0 HB3 PRO A 28 68.243 6.940 -17.263 1.00 1.00 H new ATOM 0 HG2 PRO A 28 66.336 8.676 -18.053 1.00 1.00 H new ATOM 0 HG3 PRO A 28 66.234 7.837 -16.518 1.00 1.00 H new ATOM 0 HD2 PRO A 28 66.824 10.725 -17.033 1.00 1.00 H new ATOM 0 HD3 PRO A 28 66.173 9.981 -15.587 1.00 1.00 H new ATOM 413 N LYS A 29 71.428 8.229 -15.989 1.00 1.00 N ATOM 414 CA LYS A 29 72.870 8.428 -16.356 1.00 1.00 C ATOM 415 C LYS A 29 73.723 8.247 -15.098 1.00 1.00 C ATOM 416 O LYS A 29 73.974 9.184 -14.367 1.00 1.00 O ATOM 417 CB LYS A 29 73.105 9.835 -16.934 1.00 1.00 C ATOM 418 CG LYS A 29 74.598 10.167 -16.882 1.00 1.00 C ATOM 419 CD LYS A 29 74.938 11.166 -17.990 1.00 1.00 C ATOM 420 CE LYS A 29 76.369 11.672 -17.800 1.00 1.00 C ATOM 421 NZ LYS A 29 76.396 12.689 -16.711 1.00 1.00 N ATOM 0 H LYS A 29 71.271 7.531 -15.262 1.00 1.00 H new ATOM 0 HA LYS A 29 73.146 7.698 -17.117 1.00 1.00 H new ATOM 0 HB2 LYS A 29 72.747 9.881 -17.963 1.00 1.00 H new ATOM 0 HB3 LYS A 29 72.538 10.572 -16.366 1.00 1.00 H new ATOM 0 HG2 LYS A 29 74.854 10.586 -15.909 1.00 1.00 H new ATOM 0 HG3 LYS A 29 75.188 9.258 -17.003 1.00 1.00 H new ATOM 0 HD2 LYS A 29 74.835 10.692 -18.966 1.00 1.00 H new ATOM 0 HD3 LYS A 29 74.239 12.002 -17.967 1.00 1.00 H new ATOM 0 HE2 LYS A 29 77.030 10.841 -17.553 1.00 1.00 H new ATOM 0 HE3 LYS A 29 76.738 12.108 -18.728 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 77.301 13.202 -16.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 75.613 13.361 -16.844 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 76.293 12.215 -15.791 1.00 1.00 H new ATOM 435 N CYS A 30 74.167 7.047 -14.837 1.00 1.00 N ATOM 436 CA CYS A 30 75.002 6.807 -13.625 1.00 1.00 C ATOM 437 C CYS A 30 76.482 6.854 -14.008 1.00 1.00 C ATOM 438 O CYS A 30 76.926 6.151 -14.894 1.00 1.00 O ATOM 439 CB CYS A 30 74.667 5.434 -13.039 1.00 1.00 C ATOM 440 SG CYS A 30 74.721 4.187 -14.350 1.00 1.00 S ATOM 0 H CYS A 30 73.988 6.223 -15.410 1.00 1.00 H new ATOM 0 HA CYS A 30 74.796 7.578 -12.882 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.377 5.180 -12.252 1.00 1.00 H new ATOM 0 HB3 CYS A 30 73.678 5.454 -12.582 1.00 1.00 H new ATOM 445 N LYS A 31 77.248 7.680 -13.347 1.00 1.00 N ATOM 446 CA LYS A 31 78.700 7.776 -13.672 1.00 1.00 C ATOM 447 C LYS A 31 79.283 6.368 -13.817 1.00 1.00 C ATOM 448 O LYS A 31 78.824 5.429 -13.198 1.00 1.00 O ATOM 449 CB LYS A 31 79.432 8.521 -12.549 1.00 1.00 C ATOM 450 CG LYS A 31 78.552 9.660 -12.030 1.00 1.00 C ATOM 451 CD LYS A 31 78.156 10.571 -13.193 1.00 1.00 C ATOM 452 CE LYS A 31 79.416 11.132 -13.855 1.00 1.00 C ATOM 453 NZ LYS A 31 79.092 12.424 -14.523 1.00 1.00 N ATOM 0 H LYS A 31 76.931 8.293 -12.596 1.00 1.00 H new ATOM 0 HA LYS A 31 78.826 8.321 -14.607 1.00 1.00 H new ATOM 0 HB2 LYS A 31 79.670 7.833 -11.738 1.00 1.00 H new ATOM 0 HB3 LYS A 31 80.378 8.918 -12.918 1.00 1.00 H new ATOM 0 HG2 LYS A 31 77.660 9.255 -11.551 1.00 1.00 H new ATOM 0 HG3 LYS A 31 79.088 10.232 -11.273 1.00 1.00 H new ATOM 0 HD2 LYS A 31 77.567 10.013 -13.921 1.00 1.00 H new ATOM 0 HD3 LYS A 31 77.528 11.386 -12.833 1.00 1.00 H new ATOM 0 HE2 LYS A 31 80.196 11.282 -13.109 1.00 1.00 H new ATOM 0 HE3 LYS A 31 79.804 10.421 -14.584 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 79.714 12.554 -15.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 78.100 12.414 -14.836 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 79.236 13.207 -13.853 1.00 1.00 H new ATOM 467 N GLN A 32 80.289 6.213 -14.633 1.00 1.00 N ATOM 468 CA GLN A 32 80.898 4.867 -14.819 1.00 1.00 C ATOM 469 C GLN A 32 82.278 5.018 -15.462 1.00 1.00 C ATOM 470 O GLN A 32 82.452 4.792 -16.644 1.00 1.00 O ATOM 471 CB GLN A 32 79.998 4.023 -15.726 1.00 1.00 C ATOM 472 CG GLN A 32 79.467 4.891 -16.868 1.00 1.00 C ATOM 473 CD GLN A 32 78.823 4.000 -17.932 1.00 1.00 C ATOM 474 OE1 GLN A 32 77.625 3.802 -17.930 1.00 1.00 O ATOM 475 NE2 GLN A 32 79.574 3.449 -18.846 1.00 1.00 N ATOM 0 H GLN A 32 80.716 6.961 -15.179 1.00 1.00 H new ATOM 0 HA GLN A 32 81.001 4.375 -13.852 1.00 1.00 H new ATOM 0 HB2 GLN A 32 80.558 3.178 -16.127 1.00 1.00 H new ATOM 0 HB3 GLN A 32 79.168 3.612 -15.152 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.737 5.605 -16.487 1.00 1.00 H new ATOM 0 HG3 GLN A 32 80.280 5.470 -17.307 1.00 1.00 H new ATOM 0 HE21 GLN A 32 80.580 3.615 -18.848 1.00 1.00 H new ATOM 0 HE22 GLN A 32 79.155 2.852 -19.559 1.00 1.00 H new ATOM 484 N ARG A 33 83.262 5.402 -14.695 1.00 1.00 N ATOM 485 CA ARG A 33 84.629 5.571 -15.262 1.00 1.00 C ATOM 486 C ARG A 33 85.660 5.488 -14.133 1.00 1.00 C ATOM 487 O ARG A 33 86.831 5.265 -14.365 1.00 1.00 O ATOM 488 CB ARG A 33 84.724 6.937 -15.951 1.00 1.00 C ATOM 489 CG ARG A 33 86.160 7.177 -16.420 1.00 1.00 C ATOM 490 CD ARG A 33 86.598 6.031 -17.333 1.00 1.00 C ATOM 491 NE ARG A 33 87.703 6.495 -18.219 1.00 1.00 N ATOM 492 CZ ARG A 33 87.444 7.285 -19.225 1.00 1.00 C ATOM 493 NH1 ARG A 33 86.218 7.668 -19.456 1.00 1.00 N ATOM 494 NH2 ARG A 33 88.412 7.692 -20.000 1.00 1.00 N ATOM 0 H ARG A 33 83.177 5.606 -13.699 1.00 1.00 H new ATOM 0 HA ARG A 33 84.827 4.784 -15.989 1.00 1.00 H new ATOM 0 HB2 ARG A 33 84.042 6.975 -16.801 1.00 1.00 H new ATOM 0 HB3 ARG A 33 84.419 7.725 -15.262 1.00 1.00 H new ATOM 0 HG2 ARG A 33 86.226 8.126 -16.953 1.00 1.00 H new ATOM 0 HG3 ARG A 33 86.827 7.247 -15.561 1.00 1.00 H new ATOM 0 HD2 ARG A 33 86.929 5.182 -16.735 1.00 1.00 H new ATOM 0 HD3 ARG A 33 85.756 5.688 -17.934 1.00 1.00 H new ATOM 0 HE ARG A 33 88.661 6.195 -18.039 1.00 1.00 H new ATOM 0 HH11 ARG A 33 85.462 7.350 -18.850 1.00 1.00 H new ATOM 0 HH12 ARG A 33 86.016 8.285 -20.242 1.00 1.00 H new ATOM 0 HH21 ARG A 33 89.370 7.393 -19.819 1.00 1.00 H new ATOM 0 HH22 ARG A 33 88.210 8.309 -20.786 1.00 1.00 H new ATOM 508 N GLN A 34 85.230 5.667 -12.912 1.00 1.00 N ATOM 509 CA GLN A 34 86.179 5.600 -11.761 1.00 1.00 C ATOM 510 C GLN A 34 85.602 4.686 -10.678 1.00 1.00 C ATOM 511 O GLN A 34 84.991 3.676 -10.965 1.00 1.00 O ATOM 512 CB GLN A 34 86.383 7.006 -11.186 1.00 1.00 C ATOM 513 CG GLN A 34 86.487 8.017 -12.330 1.00 1.00 C ATOM 514 CD GLN A 34 85.083 8.413 -12.791 1.00 1.00 C ATOM 515 OE1 GLN A 34 84.050 7.757 -12.334 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 84.923 9.328 -13.574 1.00 1.00 N flip ATOM 0 H GLN A 34 84.260 5.857 -12.661 1.00 1.00 H new ATOM 0 HA GLN A 34 87.136 5.203 -12.101 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.551 7.266 -10.531 1.00 1.00 H new ATOM 0 HB3 GLN A 34 87.288 7.034 -10.579 1.00 1.00 H new ATOM 0 HG2 GLN A 34 87.035 8.900 -12.001 1.00 1.00 H new ATOM 0 HG3 GLN A 34 87.046 7.586 -13.161 1.00 1.00 H new ATOM 0 HE21 GLN A 34 85.729 9.841 -13.931 1.00 1.00 H new ATOM 0 HE22 GLN A 34 83.982 9.584 -13.874 1.00 1.00 H new ATOM 525 N THR A 35 85.789 5.034 -9.434 1.00 1.00 N ATOM 526 CA THR A 35 85.249 4.185 -8.335 1.00 1.00 C ATOM 527 C THR A 35 85.705 2.738 -8.534 1.00 1.00 C ATOM 528 O THR A 35 85.110 1.988 -9.282 1.00 1.00 O ATOM 529 CB THR A 35 83.720 4.246 -8.352 1.00 1.00 C ATOM 530 OG1 THR A 35 83.304 5.597 -8.490 1.00 1.00 O ATOM 531 CG2 THR A 35 83.170 3.671 -7.046 1.00 1.00 C ATOM 0 H THR A 35 86.292 5.868 -9.132 1.00 1.00 H new ATOM 0 HA THR A 35 85.618 4.551 -7.377 1.00 1.00 H new ATOM 0 HB THR A 35 83.342 3.661 -9.191 1.00 1.00 H new ATOM 0 HG1 THR A 35 83.216 6.004 -7.603 1.00 1.00 H new ATOM 0 HG21 THR A 35 82.081 3.715 -7.059 1.00 1.00 H new ATOM 0 HG22 THR A 35 83.490 2.634 -6.942 1.00 1.00 H new ATOM 0 HG23 THR A 35 83.546 4.253 -6.205 1.00 1.00 H new ATOM 539 N ARG A 36 86.756 2.337 -7.870 1.00 1.00 N ATOM 540 CA ARG A 36 87.246 0.937 -8.021 1.00 1.00 C ATOM 541 C ARG A 36 88.007 0.522 -6.759 1.00 1.00 C ATOM 542 O ARG A 36 88.685 -0.486 -6.736 1.00 1.00 O ATOM 543 CB ARG A 36 88.173 0.832 -9.245 1.00 1.00 C ATOM 544 CG ARG A 36 88.772 2.205 -9.557 1.00 1.00 C ATOM 545 CD ARG A 36 89.624 2.671 -8.375 1.00 1.00 C ATOM 546 NE ARG A 36 88.885 3.716 -7.612 1.00 1.00 N ATOM 547 CZ ARG A 36 89.535 4.540 -6.836 1.00 1.00 C ATOM 548 NH1 ARG A 36 90.833 4.449 -6.730 1.00 1.00 N ATOM 549 NH2 ARG A 36 88.888 5.455 -6.168 1.00 1.00 N ATOM 0 H ARG A 36 87.296 2.919 -7.230 1.00 1.00 H new ATOM 0 HA ARG A 36 86.393 0.274 -8.165 1.00 1.00 H new ATOM 0 HB2 ARG A 36 88.969 0.113 -9.050 1.00 1.00 H new ATOM 0 HB3 ARG A 36 87.615 0.464 -10.106 1.00 1.00 H new ATOM 0 HG2 ARG A 36 89.381 2.151 -10.459 1.00 1.00 H new ATOM 0 HG3 ARG A 36 87.977 2.925 -9.752 1.00 1.00 H new ATOM 0 HD2 ARG A 36 89.856 1.827 -7.725 1.00 1.00 H new ATOM 0 HD3 ARG A 36 90.574 3.069 -8.732 1.00 1.00 H new ATOM 0 HE ARG A 36 87.871 3.787 -7.696 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.339 3.734 -7.253 1.00 1.00 H new ATOM 0 HH12 ARG A 36 91.342 5.093 -6.124 1.00 1.00 H new ATOM 0 HH21 ARG A 36 87.874 5.527 -6.252 1.00 1.00 H new ATOM 0 HH22 ARG A 36 89.396 6.099 -5.562 1.00 1.00 H new ATOM 563 N GLN A 37 87.902 1.289 -5.709 1.00 1.00 N ATOM 564 CA GLN A 37 88.622 0.933 -4.453 1.00 1.00 C ATOM 565 C GLN A 37 87.843 -0.159 -3.714 1.00 1.00 C ATOM 566 O GLN A 37 87.370 0.039 -2.612 1.00 1.00 O ATOM 567 CB GLN A 37 88.745 2.177 -3.565 1.00 1.00 C ATOM 568 CG GLN A 37 89.929 2.010 -2.610 1.00 1.00 C ATOM 569 CD GLN A 37 89.700 0.785 -1.722 1.00 1.00 C ATOM 570 OE1 GLN A 37 88.978 0.853 -0.748 1.00 1.00 O ATOM 571 NE2 GLN A 37 90.289 -0.341 -2.020 1.00 1.00 N ATOM 0 H GLN A 37 87.350 2.146 -5.666 1.00 1.00 H new ATOM 0 HA GLN A 37 89.619 0.564 -4.693 1.00 1.00 H new ATOM 0 HB2 GLN A 37 88.885 3.065 -4.182 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.826 2.324 -2.998 1.00 1.00 H new ATOM 0 HG2 GLN A 37 90.853 1.894 -3.176 1.00 1.00 H new ATOM 0 HG3 GLN A 37 90.042 2.902 -1.995 1.00 1.00 H new ATOM 0 HE21 GLN A 37 90.895 -0.398 -2.838 1.00 1.00 H new ATOM 0 HE22 GLN A 37 90.143 -1.164 -1.435 1.00 1.00 H new ATOM 580 N CYS A 38 87.706 -1.310 -4.314 1.00 1.00 N ATOM 581 CA CYS A 38 86.959 -2.416 -3.650 1.00 1.00 C ATOM 582 C CYS A 38 87.445 -3.758 -4.204 1.00 1.00 C ATOM 583 O CYS A 38 88.447 -3.832 -4.887 1.00 1.00 O ATOM 584 CB CYS A 38 85.459 -2.254 -3.924 1.00 1.00 C ATOM 585 SG CYS A 38 84.641 -1.618 -2.440 1.00 1.00 S ATOM 0 H CYS A 38 88.080 -1.532 -5.237 1.00 1.00 H new ATOM 0 HA CYS A 38 87.133 -2.384 -2.574 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.302 -1.572 -4.759 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.025 -3.212 -4.209 1.00 1.00 H new ATOM 590 N LYS A 39 86.743 -4.821 -3.911 1.00 1.00 N ATOM 591 CA LYS A 39 87.159 -6.163 -4.416 1.00 1.00 C ATOM 592 C LYS A 39 88.578 -6.482 -3.936 1.00 1.00 C ATOM 593 O LYS A 39 89.072 -7.577 -4.121 1.00 1.00 O ATOM 594 CB LYS A 39 87.119 -6.174 -5.947 1.00 1.00 C ATOM 595 CG LYS A 39 85.707 -5.826 -6.424 1.00 1.00 C ATOM 596 CD LYS A 39 85.761 -5.356 -7.879 1.00 1.00 C ATOM 597 CE LYS A 39 85.995 -3.845 -7.919 1.00 1.00 C ATOM 598 NZ LYS A 39 84.796 -3.142 -7.382 1.00 1.00 N ATOM 0 H LYS A 39 85.897 -4.818 -3.342 1.00 1.00 H new ATOM 0 HA LYS A 39 86.473 -6.918 -4.032 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.836 -5.456 -6.345 1.00 1.00 H new ATOM 0 HB3 LYS A 39 87.409 -7.156 -6.322 1.00 1.00 H new ATOM 0 HG2 LYS A 39 85.057 -6.697 -6.336 1.00 1.00 H new ATOM 0 HG3 LYS A 39 85.281 -5.045 -5.794 1.00 1.00 H new ATOM 0 HD2 LYS A 39 86.561 -5.873 -8.410 1.00 1.00 H new ATOM 0 HD3 LYS A 39 84.829 -5.604 -8.387 1.00 1.00 H new ATOM 0 HE2 LYS A 39 86.875 -3.587 -7.330 1.00 1.00 H new ATOM 0 HE3 LYS A 39 86.190 -3.523 -8.942 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 84.724 -2.199 -7.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 83.942 -3.692 -7.606 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 84.884 -3.044 -6.350 1.00 1.00 H new ATOM 612 N SER A 40 89.235 -5.540 -3.316 1.00 1.00 N ATOM 613 CA SER A 40 90.618 -5.797 -2.821 1.00 1.00 C ATOM 614 C SER A 40 90.543 -6.473 -1.450 1.00 1.00 C ATOM 615 O SER A 40 90.101 -7.598 -1.327 1.00 1.00 O ATOM 616 CB SER A 40 91.370 -4.471 -2.696 1.00 1.00 C ATOM 617 OG SER A 40 92.714 -4.728 -2.313 1.00 1.00 O ATOM 0 H SER A 40 88.874 -4.604 -3.131 1.00 1.00 H new ATOM 0 HA SER A 40 91.144 -6.445 -3.522 1.00 1.00 H new ATOM 0 HB2 SER A 40 91.346 -3.935 -3.645 1.00 1.00 H new ATOM 0 HB3 SER A 40 90.885 -3.833 -1.957 1.00 1.00 H new ATOM 0 HG SER A 40 93.199 -3.880 -2.234 1.00 1.00 H new ATOM 623 N LYS A 41 90.965 -5.795 -0.417 1.00 1.00 N ATOM 624 CA LYS A 41 90.908 -6.401 0.943 1.00 1.00 C ATOM 625 C LYS A 41 89.440 -6.661 1.314 1.00 1.00 C ATOM 626 O LYS A 41 88.659 -5.737 1.427 1.00 1.00 O ATOM 627 CB LYS A 41 91.523 -5.428 1.956 1.00 1.00 C ATOM 628 CG LYS A 41 91.810 -6.164 3.266 1.00 1.00 C ATOM 629 CD LYS A 41 93.211 -6.778 3.211 1.00 1.00 C ATOM 630 CE LYS A 41 93.416 -7.692 4.421 1.00 1.00 C ATOM 631 NZ LYS A 41 94.783 -8.283 4.370 1.00 1.00 N ATOM 0 H LYS A 41 91.346 -4.850 -0.456 1.00 1.00 H new ATOM 0 HA LYS A 41 91.463 -7.339 0.954 1.00 1.00 H new ATOM 0 HB2 LYS A 41 92.444 -5.005 1.556 1.00 1.00 H new ATOM 0 HB3 LYS A 41 90.842 -4.596 2.136 1.00 1.00 H new ATOM 0 HG2 LYS A 41 91.737 -5.474 4.107 1.00 1.00 H new ATOM 0 HG3 LYS A 41 91.066 -6.944 3.428 1.00 1.00 H new ATOM 0 HD2 LYS A 41 93.335 -7.345 2.288 1.00 1.00 H new ATOM 0 HD3 LYS A 41 93.965 -5.991 3.205 1.00 1.00 H new ATOM 0 HE2 LYS A 41 93.287 -7.126 5.344 1.00 1.00 H new ATOM 0 HE3 LYS A 41 92.666 -8.483 4.424 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 94.923 -8.904 5.192 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 94.890 -8.836 3.496 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 95.491 -7.522 4.387 1.00 1.00 H new ATOM 645 N PRO A 42 89.055 -7.904 1.494 1.00 1.00 N ATOM 646 CA PRO A 42 87.650 -8.258 1.847 1.00 1.00 C ATOM 647 C PRO A 42 87.342 -8.012 3.330 1.00 1.00 C ATOM 648 O PRO A 42 88.235 -7.921 4.149 1.00 1.00 O ATOM 649 CB PRO A 42 87.566 -9.749 1.518 1.00 1.00 C ATOM 650 CG PRO A 42 88.958 -10.262 1.699 1.00 1.00 C ATOM 651 CD PRO A 42 89.906 -9.100 1.382 1.00 1.00 C ATOM 0 HA PRO A 42 86.926 -7.649 1.305 1.00 1.00 H new ATOM 0 HB2 PRO A 42 86.867 -10.261 2.180 1.00 1.00 H new ATOM 0 HB3 PRO A 42 87.215 -9.909 0.499 1.00 1.00 H new ATOM 0 HG2 PRO A 42 89.109 -10.617 2.719 1.00 1.00 H new ATOM 0 HG3 PRO A 42 89.147 -11.107 1.036 1.00 1.00 H new ATOM 0 HD2 PRO A 42 90.740 -9.063 2.083 1.00 1.00 H new ATOM 0 HD3 PRO A 42 90.332 -9.194 0.383 1.00 1.00 H new ATOM 659 N PRO A 43 86.082 -7.910 3.669 1.00 1.00 N ATOM 660 CA PRO A 43 85.643 -7.674 5.076 1.00 1.00 C ATOM 661 C PRO A 43 85.870 -8.905 5.961 1.00 1.00 C ATOM 662 O PRO A 43 86.086 -9.998 5.476 1.00 1.00 O ATOM 663 CB PRO A 43 84.147 -7.367 4.946 1.00 1.00 C ATOM 664 CG PRO A 43 83.721 -8.026 3.676 1.00 1.00 C ATOM 665 CD PRO A 43 84.938 -8.012 2.748 1.00 1.00 C ATOM 0 HA PRO A 43 86.207 -6.871 5.551 1.00 1.00 H new ATOM 0 HB2 PRO A 43 83.590 -7.756 5.798 1.00 1.00 H new ATOM 0 HB3 PRO A 43 83.967 -6.293 4.912 1.00 1.00 H new ATOM 0 HG2 PRO A 43 83.387 -9.047 3.862 1.00 1.00 H new ATOM 0 HG3 PRO A 43 82.883 -7.494 3.225 1.00 1.00 H new ATOM 0 HD2 PRO A 43 84.991 -8.918 2.144 1.00 1.00 H new ATOM 0 HD3 PRO A 43 84.904 -7.170 2.057 1.00 1.00 H new ATOM 673 N LYS A 44 85.826 -8.736 7.254 1.00 1.00 N ATOM 674 CA LYS A 44 86.045 -9.895 8.165 1.00 1.00 C ATOM 675 C LYS A 44 84.998 -10.977 7.887 1.00 1.00 C ATOM 676 O LYS A 44 85.263 -11.946 7.203 1.00 1.00 O ATOM 677 CB LYS A 44 85.926 -9.432 9.618 1.00 1.00 C ATOM 678 CG LYS A 44 86.300 -10.584 10.552 1.00 1.00 C ATOM 679 CD LYS A 44 86.340 -10.080 11.996 1.00 1.00 C ATOM 680 CE LYS A 44 84.946 -9.601 12.408 1.00 1.00 C ATOM 681 NZ LYS A 44 84.771 -8.177 12.006 1.00 1.00 N ATOM 0 H LYS A 44 85.648 -7.846 7.719 1.00 1.00 H new ATOM 0 HA LYS A 44 87.040 -10.304 7.993 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.582 -8.579 9.794 1.00 1.00 H new ATOM 0 HB3 LYS A 44 84.908 -9.099 9.823 1.00 1.00 H new ATOM 0 HG2 LYS A 44 85.575 -11.392 10.458 1.00 1.00 H new ATOM 0 HG3 LYS A 44 87.271 -10.993 10.272 1.00 1.00 H new ATOM 0 HD2 LYS A 44 86.674 -10.876 12.661 1.00 1.00 H new ATOM 0 HD3 LYS A 44 87.058 -9.265 12.088 1.00 1.00 H new ATOM 0 HE2 LYS A 44 84.183 -10.220 11.936 1.00 1.00 H new ATOM 0 HE3 LYS A 44 84.818 -9.704 13.486 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 84.469 -7.618 12.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 85.673 -7.804 11.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 84.049 -8.113 11.260 1.00 1.00 H new ATOM 695 N LYS A 45 83.813 -10.825 8.414 1.00 1.00 N ATOM 696 CA LYS A 45 82.756 -11.851 8.180 1.00 1.00 C ATOM 697 C LYS A 45 81.461 -11.415 8.873 1.00 1.00 C ATOM 698 O LYS A 45 81.482 -10.724 9.872 1.00 1.00 O ATOM 699 CB LYS A 45 83.221 -13.200 8.751 1.00 1.00 C ATOM 700 CG LYS A 45 83.304 -14.231 7.624 1.00 1.00 C ATOM 701 CD LYS A 45 83.935 -15.520 8.156 1.00 1.00 C ATOM 702 CE LYS A 45 83.023 -16.135 9.219 1.00 1.00 C ATOM 703 NZ LYS A 45 83.310 -17.592 9.336 1.00 1.00 N ATOM 0 H LYS A 45 83.531 -10.036 8.996 1.00 1.00 H new ATOM 0 HA LYS A 45 82.575 -11.954 7.110 1.00 1.00 H new ATOM 0 HB2 LYS A 45 84.195 -13.088 9.228 1.00 1.00 H new ATOM 0 HB3 LYS A 45 82.527 -13.540 9.519 1.00 1.00 H new ATOM 0 HG2 LYS A 45 82.308 -14.436 7.231 1.00 1.00 H new ATOM 0 HG3 LYS A 45 83.897 -13.837 6.799 1.00 1.00 H new ATOM 0 HD2 LYS A 45 84.087 -16.226 7.340 1.00 1.00 H new ATOM 0 HD3 LYS A 45 84.916 -15.308 8.582 1.00 1.00 H new ATOM 0 HE2 LYS A 45 83.183 -15.644 10.179 1.00 1.00 H new ATOM 0 HE3 LYS A 45 81.978 -15.980 8.951 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 82.690 -18.011 10.059 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 83.137 -18.055 8.421 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 84.304 -17.729 9.610 1.00 1.00 H new ATOM 717 N GLY A 46 80.334 -11.819 8.352 1.00 1.00 N ATOM 718 CA GLY A 46 79.038 -11.433 8.980 1.00 1.00 C ATOM 719 C GLY A 46 77.964 -12.452 8.598 1.00 1.00 C ATOM 720 O GLY A 46 77.032 -12.146 7.881 1.00 1.00 O ATOM 0 H GLY A 46 80.255 -12.400 7.518 1.00 1.00 H new ATOM 0 HA2 GLY A 46 79.145 -11.390 10.064 1.00 1.00 H new ATOM 0 HA3 GLY A 46 78.744 -10.437 8.649 1.00 1.00 H new ATOM 724 N VAL A 47 78.087 -13.662 9.071 1.00 1.00 N ATOM 725 CA VAL A 47 77.074 -14.701 8.733 1.00 1.00 C ATOM 726 C VAL A 47 76.895 -14.762 7.214 1.00 1.00 C ATOM 727 O VAL A 47 77.660 -15.396 6.515 1.00 1.00 O ATOM 728 CB VAL A 47 75.740 -14.349 9.396 1.00 1.00 C ATOM 729 CG1 VAL A 47 74.712 -15.440 9.088 1.00 1.00 C ATOM 730 CG2 VAL A 47 75.936 -14.248 10.910 1.00 1.00 C ATOM 0 H VAL A 47 78.845 -13.976 9.677 1.00 1.00 H new ATOM 0 HA VAL A 47 77.411 -15.672 9.096 1.00 1.00 H new ATOM 0 HB VAL A 47 75.383 -13.394 9.009 1.00 1.00 H new ATOM 0 HG11 VAL A 47 73.762 -15.189 9.560 1.00 1.00 H new ATOM 0 HG12 VAL A 47 74.572 -15.514 8.010 1.00 1.00 H new ATOM 0 HG13 VAL A 47 75.068 -16.395 9.474 1.00 1.00 H new ATOM 0 HG21 VAL A 47 74.987 -13.997 11.384 1.00 1.00 H new ATOM 0 HG22 VAL A 47 76.293 -15.203 11.295 1.00 1.00 H new ATOM 0 HG23 VAL A 47 76.668 -13.471 11.131 1.00 1.00 H new ATOM 740 N GLN A 48 75.891 -14.108 6.695 1.00 1.00 N ATOM 741 CA GLN A 48 75.668 -14.131 5.222 1.00 1.00 C ATOM 742 C GLN A 48 76.892 -13.547 4.514 1.00 1.00 C ATOM 743 O GLN A 48 77.010 -12.350 4.342 1.00 1.00 O ATOM 744 CB GLN A 48 74.431 -13.295 4.881 1.00 1.00 C ATOM 745 CG GLN A 48 74.033 -13.536 3.423 1.00 1.00 C ATOM 746 CD GLN A 48 74.938 -12.713 2.504 1.00 1.00 C ATOM 747 OE1 GLN A 48 75.954 -13.194 2.043 1.00 1.00 O ATOM 748 NE2 GLN A 48 74.610 -11.483 2.217 1.00 1.00 N ATOM 0 H GLN A 48 75.216 -13.559 7.228 1.00 1.00 H new ATOM 0 HA GLN A 48 75.513 -15.158 4.892 1.00 1.00 H new ATOM 0 HB2 GLN A 48 73.606 -13.561 5.542 1.00 1.00 H new ATOM 0 HB3 GLN A 48 74.639 -12.237 5.041 1.00 1.00 H new ATOM 0 HG2 GLN A 48 74.119 -14.596 3.182 1.00 1.00 H new ATOM 0 HG3 GLN A 48 72.991 -13.258 3.269 1.00 1.00 H new ATOM 0 HE21 GLN A 48 73.757 -11.079 2.604 1.00 1.00 H new ATOM 0 HE22 GLN A 48 75.207 -10.925 1.606 1.00 1.00 H new ATOM 757 N GLY A 49 77.806 -14.383 4.103 1.00 1.00 N ATOM 758 CA GLY A 49 79.023 -13.875 3.409 1.00 1.00 C ATOM 759 C GLY A 49 78.677 -13.511 1.965 1.00 1.00 C ATOM 760 O GLY A 49 78.299 -14.353 1.175 1.00 1.00 O ATOM 0 H GLY A 49 77.763 -15.396 4.218 1.00 1.00 H new ATOM 0 HA2 GLY A 49 79.413 -13.001 3.931 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.806 -14.633 3.426 1.00 1.00 H new ATOM 764 N CYS A 50 78.806 -12.260 1.612 1.00 1.00 N ATOM 765 CA CYS A 50 78.488 -11.838 0.218 1.00 1.00 C ATOM 766 C CYS A 50 79.775 -11.814 -0.610 1.00 1.00 C ATOM 767 O CYS A 50 79.812 -11.289 -1.705 1.00 1.00 O ATOM 768 CB CYS A 50 77.865 -10.439 0.239 1.00 1.00 C ATOM 769 SG CYS A 50 76.838 -10.214 -1.234 1.00 1.00 S ATOM 0 H CYS A 50 79.118 -11.511 2.230 1.00 1.00 H new ATOM 0 HA CYS A 50 77.783 -12.541 -0.226 1.00 1.00 H new ATOM 0 HB2 CYS A 50 77.263 -10.311 1.138 1.00 1.00 H new ATOM 0 HB3 CYS A 50 78.648 -9.681 0.269 1.00 1.00 H new ATOM 774 N GLY A 51 80.832 -12.378 -0.092 1.00 1.00 N ATOM 775 CA GLY A 51 82.118 -12.389 -0.845 1.00 1.00 C ATOM 776 C GLY A 51 81.870 -12.868 -2.276 1.00 1.00 C ATOM 777 O GLY A 51 81.116 -13.792 -2.510 1.00 1.00 O ATOM 0 H GLY A 51 80.860 -12.832 0.821 1.00 1.00 H new ATOM 0 HA2 GLY A 51 82.554 -11.390 -0.855 1.00 1.00 H new ATOM 0 HA3 GLY A 51 82.835 -13.044 -0.350 1.00 1.00 H new ATOM 781 N ASP A 52 82.499 -12.248 -3.235 1.00 1.00 N ATOM 782 CA ASP A 52 82.299 -12.667 -4.650 1.00 1.00 C ATOM 783 C ASP A 52 83.399 -12.060 -5.522 1.00 1.00 C ATOM 784 O ASP A 52 84.571 -12.148 -5.211 1.00 1.00 O ATOM 785 CB ASP A 52 80.933 -12.179 -5.138 1.00 1.00 C ATOM 786 CG ASP A 52 80.563 -12.906 -6.433 1.00 1.00 C ATOM 787 OD1 ASP A 52 80.459 -14.121 -6.398 1.00 1.00 O ATOM 788 OD2 ASP A 52 80.391 -12.235 -7.437 1.00 1.00 O ATOM 0 H ASP A 52 83.143 -11.469 -3.100 1.00 1.00 H new ATOM 0 HA ASP A 52 82.342 -13.754 -4.717 1.00 1.00 H new ATOM 0 HB2 ASP A 52 80.176 -12.363 -4.376 1.00 1.00 H new ATOM 0 HB3 ASP A 52 80.959 -11.103 -5.308 1.00 1.00 H new ATOM 793 N ASP A 53 83.030 -11.443 -6.610 1.00 1.00 N ATOM 794 CA ASP A 53 84.052 -10.829 -7.503 1.00 1.00 C ATOM 795 C ASP A 53 83.392 -9.741 -8.352 1.00 1.00 C ATOM 796 O ASP A 53 82.635 -8.929 -7.858 1.00 1.00 O ATOM 797 CB ASP A 53 84.642 -11.904 -8.419 1.00 1.00 C ATOM 798 CG ASP A 53 85.318 -12.982 -7.570 1.00 1.00 C ATOM 799 OD1 ASP A 53 84.612 -13.842 -7.069 1.00 1.00 O ATOM 800 OD2 ASP A 53 86.529 -12.930 -7.436 1.00 1.00 O ATOM 0 H ASP A 53 82.064 -11.337 -6.920 1.00 1.00 H new ATOM 0 HA ASP A 53 84.848 -10.391 -6.901 1.00 1.00 H new ATOM 0 HB2 ASP A 53 83.856 -12.347 -9.031 1.00 1.00 H new ATOM 0 HB3 ASP A 53 85.364 -11.458 -9.103 1.00 1.00 H new ATOM 805 N ILE A 54 83.671 -9.718 -9.626 1.00 1.00 N ATOM 806 CA ILE A 54 83.060 -8.684 -10.506 1.00 1.00 C ATOM 807 C ILE A 54 81.545 -8.631 -10.255 1.00 1.00 C ATOM 808 O ILE A 54 80.835 -9.567 -10.564 1.00 1.00 O ATOM 809 CB ILE A 54 83.317 -9.053 -11.967 1.00 1.00 C ATOM 810 CG1 ILE A 54 84.825 -9.135 -12.213 1.00 1.00 C ATOM 811 CG2 ILE A 54 82.710 -7.985 -12.878 1.00 1.00 C ATOM 812 CD1 ILE A 54 85.088 -9.837 -13.547 1.00 1.00 C ATOM 0 H ILE A 54 84.297 -10.372 -10.096 1.00 1.00 H new ATOM 0 HA ILE A 54 83.500 -7.711 -10.289 1.00 1.00 H new ATOM 0 HB ILE A 54 82.859 -10.018 -12.184 1.00 1.00 H new ATOM 0 HG12 ILE A 54 85.257 -8.134 -12.225 1.00 1.00 H new ATOM 0 HG13 ILE A 54 85.307 -9.680 -11.402 1.00 1.00 H new ATOM 0 HG21 ILE A 54 82.893 -8.248 -13.920 1.00 1.00 H new ATOM 0 HG22 ILE A 54 81.636 -7.925 -12.703 1.00 1.00 H new ATOM 0 HG23 ILE A 54 83.168 -7.020 -12.662 1.00 1.00 H new ATOM 0 HD11 ILE A 54 86.162 -9.895 -13.722 1.00 1.00 H new ATOM 0 HD12 ILE A 54 84.670 -10.843 -13.517 1.00 1.00 H new ATOM 0 HD13 ILE A 54 84.619 -9.273 -14.353 1.00 1.00 H new ATOM 824 N PRO A 55 81.046 -7.550 -9.700 1.00 1.00 N ATOM 825 CA PRO A 55 79.591 -7.402 -9.415 1.00 1.00 C ATOM 826 C PRO A 55 78.792 -7.037 -10.672 1.00 1.00 C ATOM 827 O PRO A 55 77.917 -7.765 -11.096 1.00 1.00 O ATOM 828 CB PRO A 55 79.541 -6.267 -8.391 1.00 1.00 C ATOM 829 CG PRO A 55 80.745 -5.431 -8.681 1.00 1.00 C ATOM 830 CD PRO A 55 81.806 -6.360 -9.284 1.00 1.00 C ATOM 0 HA PRO A 55 79.146 -8.330 -9.055 1.00 1.00 H new ATOM 0 HB2 PRO A 55 78.624 -5.686 -8.490 1.00 1.00 H new ATOM 0 HB3 PRO A 55 79.565 -6.653 -7.372 1.00 1.00 H new ATOM 0 HG2 PRO A 55 80.498 -4.628 -9.375 1.00 1.00 H new ATOM 0 HG3 PRO A 55 81.117 -4.962 -7.770 1.00 1.00 H new ATOM 0 HD2 PRO A 55 82.310 -5.893 -10.130 1.00 1.00 H new ATOM 0 HD3 PRO A 55 82.575 -6.613 -8.555 1.00 1.00 H new ATOM 838 N GLY A 56 79.090 -5.916 -11.271 1.00 1.00 N ATOM 839 CA GLY A 56 78.351 -5.506 -12.500 1.00 1.00 C ATOM 840 C GLY A 56 79.086 -6.033 -13.734 1.00 1.00 C ATOM 841 O GLY A 56 78.551 -6.804 -14.506 1.00 1.00 O ATOM 0 H GLY A 56 79.813 -5.266 -10.963 1.00 1.00 H new ATOM 0 HA2 GLY A 56 77.334 -5.898 -12.474 1.00 1.00 H new ATOM 0 HA3 GLY A 56 78.273 -4.420 -12.546 1.00 1.00 H new ATOM 845 N MET A 57 80.310 -5.622 -13.925 1.00 1.00 N ATOM 846 CA MET A 57 81.081 -6.098 -15.108 1.00 1.00 C ATOM 847 C MET A 57 82.507 -5.550 -15.036 1.00 1.00 C ATOM 848 O MET A 57 83.402 -6.028 -15.705 1.00 1.00 O ATOM 849 CB MET A 57 80.408 -5.604 -16.390 1.00 1.00 C ATOM 850 CG MET A 57 80.044 -4.126 -16.239 1.00 1.00 C ATOM 851 SD MET A 57 79.433 -3.490 -17.820 1.00 1.00 S ATOM 852 CE MET A 57 77.689 -3.904 -17.572 1.00 1.00 C ATOM 0 H MET A 57 80.809 -4.977 -13.313 1.00 1.00 H new ATOM 0 HA MET A 57 81.108 -7.188 -15.111 1.00 1.00 H new ATOM 0 HB2 MET A 57 81.077 -5.740 -17.240 1.00 1.00 H new ATOM 0 HB3 MET A 57 79.512 -6.191 -16.592 1.00 1.00 H new ATOM 0 HG2 MET A 57 79.283 -4.005 -15.468 1.00 1.00 H new ATOM 0 HG3 MET A 57 80.916 -3.557 -15.919 1.00 1.00 H new ATOM 0 HE1 MET A 57 77.114 -3.594 -18.444 1.00 1.00 H new ATOM 0 HE2 MET A 57 77.587 -4.980 -17.434 1.00 1.00 H new ATOM 0 HE3 MET A 57 77.315 -3.388 -16.688 1.00 1.00 H new ATOM 862 N GLU A 58 82.725 -4.549 -14.228 1.00 1.00 N ATOM 863 CA GLU A 58 84.091 -3.968 -14.110 1.00 1.00 C ATOM 864 C GLU A 58 84.120 -2.973 -12.948 1.00 1.00 C ATOM 865 O GLU A 58 84.983 -3.025 -12.094 1.00 1.00 O ATOM 866 CB GLU A 58 84.454 -3.246 -15.410 1.00 1.00 C ATOM 867 CG GLU A 58 85.940 -2.882 -15.394 1.00 1.00 C ATOM 868 CD GLU A 58 86.778 -4.150 -15.569 1.00 1.00 C ATOM 869 OE1 GLU A 58 86.846 -4.643 -16.682 1.00 1.00 O ATOM 870 OE2 GLU A 58 87.339 -4.605 -14.585 1.00 1.00 O ATOM 0 H GLU A 58 82.015 -4.108 -13.644 1.00 1.00 H new ATOM 0 HA GLU A 58 84.811 -4.765 -13.926 1.00 1.00 H new ATOM 0 HB2 GLU A 58 84.234 -3.884 -16.266 1.00 1.00 H new ATOM 0 HB3 GLU A 58 83.849 -2.346 -15.519 1.00 1.00 H new ATOM 0 HG2 GLU A 58 86.161 -2.174 -16.193 1.00 1.00 H new ATOM 0 HG3 GLU A 58 86.195 -2.392 -14.455 1.00 1.00 H new ATOM 877 N GLY A 59 83.181 -2.067 -12.908 1.00 1.00 N ATOM 878 CA GLY A 59 83.154 -1.070 -11.801 1.00 1.00 C ATOM 879 C GLY A 59 82.210 0.076 -12.167 1.00 1.00 C ATOM 880 O GLY A 59 82.360 0.714 -13.191 1.00 1.00 O ATOM 0 H GLY A 59 82.432 -1.974 -13.594 1.00 1.00 H new ATOM 0 HA2 GLY A 59 82.824 -1.546 -10.877 1.00 1.00 H new ATOM 0 HA3 GLY A 59 84.157 -0.685 -11.620 1.00 1.00 H new ATOM 884 N CYS A 60 81.236 0.345 -11.340 1.00 1.00 N ATOM 885 CA CYS A 60 80.285 1.451 -11.643 1.00 1.00 C ATOM 886 C CYS A 60 80.987 2.796 -11.443 1.00 1.00 C ATOM 887 O CYS A 60 82.193 2.899 -11.555 1.00 1.00 O ATOM 888 CB CYS A 60 79.080 1.361 -10.704 1.00 1.00 C ATOM 889 SG CYS A 60 79.640 1.496 -8.988 1.00 1.00 S ATOM 0 H CYS A 60 81.058 -0.154 -10.468 1.00 1.00 H new ATOM 0 HA CYS A 60 79.947 1.366 -12.676 1.00 1.00 H new ATOM 0 HB2 CYS A 60 78.370 2.156 -10.929 1.00 1.00 H new ATOM 0 HB3 CYS A 60 78.558 0.416 -10.854 1.00 1.00 H new ATOM 894 N GLY A 61 80.244 3.828 -11.149 1.00 1.00 N ATOM 895 CA GLY A 61 80.870 5.165 -10.943 1.00 1.00 C ATOM 896 C GLY A 61 80.086 5.942 -9.884 1.00 1.00 C ATOM 897 O GLY A 61 78.873 6.002 -9.913 1.00 1.00 O ATOM 0 H GLY A 61 79.230 3.803 -11.042 1.00 1.00 H new ATOM 0 HA2 GLY A 61 81.907 5.047 -10.629 1.00 1.00 H new ATOM 0 HA3 GLY A 61 80.882 5.720 -11.881 1.00 1.00 H new ATOM 901 N THR A 62 80.775 6.537 -8.949 1.00 1.00 N ATOM 902 CA THR A 62 80.084 7.316 -7.881 1.00 1.00 C ATOM 903 C THR A 62 80.892 8.575 -7.576 1.00 1.00 C ATOM 904 O THR A 62 81.356 8.770 -6.471 1.00 1.00 O ATOM 905 CB THR A 62 79.976 6.464 -6.613 1.00 1.00 C ATOM 906 OG1 THR A 62 81.201 5.777 -6.401 1.00 1.00 O ATOM 907 CG2 THR A 62 78.841 5.451 -6.771 1.00 1.00 C ATOM 0 H THR A 62 81.792 6.517 -8.878 1.00 1.00 H new ATOM 0 HA THR A 62 79.085 7.591 -8.219 1.00 1.00 H new ATOM 0 HB THR A 62 79.767 7.108 -5.759 1.00 1.00 H new ATOM 0 HG1 THR A 62 81.134 5.232 -5.589 1.00 1.00 H new ATOM 0 HG21 THR A 62 78.765 4.845 -5.868 1.00 1.00 H new ATOM 0 HG22 THR A 62 77.902 5.979 -6.933 1.00 1.00 H new ATOM 0 HG23 THR A 62 79.046 4.805 -7.625 1.00 1.00 H new ATOM 915 N ASP A 63 81.061 9.432 -8.545 1.00 1.00 N ATOM 916 CA ASP A 63 81.834 10.680 -8.301 1.00 1.00 C ATOM 917 C ASP A 63 81.078 11.534 -7.284 1.00 1.00 C ATOM 918 O ASP A 63 80.566 12.587 -7.605 1.00 1.00 O ATOM 919 CB ASP A 63 81.984 11.456 -9.612 1.00 1.00 C ATOM 920 CG ASP A 63 82.984 12.597 -9.418 1.00 1.00 C ATOM 921 OD1 ASP A 63 84.157 12.308 -9.245 1.00 1.00 O ATOM 922 OD2 ASP A 63 82.561 13.741 -9.448 1.00 1.00 O ATOM 0 H ASP A 63 80.698 9.322 -9.492 1.00 1.00 H new ATOM 0 HA ASP A 63 82.824 10.434 -7.917 1.00 1.00 H new ATOM 0 HB2 ASP A 63 82.325 10.790 -10.404 1.00 1.00 H new ATOM 0 HB3 ASP A 63 81.018 11.854 -9.924 1.00 1.00 H new ATOM 927 N ILE A 64 80.998 11.072 -6.061 1.00 1.00 N ATOM 928 CA ILE A 64 80.270 11.826 -5.001 1.00 1.00 C ATOM 929 C ILE A 64 79.069 12.557 -5.594 1.00 1.00 C ATOM 930 O ILE A 64 79.169 13.676 -6.055 1.00 1.00 O ATOM 931 CB ILE A 64 81.205 12.832 -4.321 1.00 1.00 C ATOM 932 CG1 ILE A 64 80.379 13.803 -3.474 1.00 1.00 C ATOM 933 CG2 ILE A 64 81.975 13.615 -5.386 1.00 1.00 C ATOM 934 CD1 ILE A 64 81.286 14.487 -2.450 1.00 1.00 C ATOM 0 H ILE A 64 81.412 10.193 -5.751 1.00 1.00 H new ATOM 0 HA ILE A 64 79.917 11.112 -4.257 1.00 1.00 H new ATOM 0 HB ILE A 64 81.909 12.299 -3.682 1.00 1.00 H new ATOM 0 HG12 ILE A 64 79.907 14.549 -4.113 1.00 1.00 H new ATOM 0 HG13 ILE A 64 79.578 13.267 -2.965 1.00 1.00 H new ATOM 0 HG21 ILE A 64 82.640 14.330 -4.902 1.00 1.00 H new ATOM 0 HG22 ILE A 64 82.563 12.925 -5.991 1.00 1.00 H new ATOM 0 HG23 ILE A 64 81.271 14.149 -6.025 1.00 1.00 H new ATOM 0 HD11 ILE A 64 80.697 15.178 -1.847 1.00 1.00 H new ATOM 0 HD12 ILE A 64 81.737 13.734 -1.803 1.00 1.00 H new ATOM 0 HD13 ILE A 64 82.071 15.036 -2.969 1.00 1.00 H new ATOM 946 N THR A 65 77.926 11.942 -5.573 1.00 1.00 N ATOM 947 CA THR A 65 76.727 12.622 -6.116 1.00 1.00 C ATOM 948 C THR A 65 76.380 13.790 -5.191 1.00 1.00 C ATOM 949 O THR A 65 75.233 14.136 -5.005 1.00 1.00 O ATOM 950 CB THR A 65 75.555 11.638 -6.174 1.00 1.00 C ATOM 951 OG1 THR A 65 75.849 10.609 -7.107 1.00 1.00 O ATOM 952 CG2 THR A 65 74.287 12.376 -6.608 1.00 1.00 C ATOM 0 H THR A 65 77.771 11.003 -5.206 1.00 1.00 H new ATOM 0 HA THR A 65 76.924 12.987 -7.124 1.00 1.00 H new ATOM 0 HB THR A 65 75.398 11.201 -5.188 1.00 1.00 H new ATOM 0 HG1 THR A 65 75.101 9.977 -7.144 1.00 1.00 H new ATOM 0 HG21 THR A 65 73.454 11.675 -6.649 1.00 1.00 H new ATOM 0 HG22 THR A 65 74.062 13.165 -5.891 1.00 1.00 H new ATOM 0 HG23 THR A 65 74.441 12.815 -7.594 1.00 1.00 H new ATOM 960 N VAL A 66 77.382 14.392 -4.610 1.00 1.00 N ATOM 961 CA VAL A 66 77.161 15.540 -3.687 1.00 1.00 C ATOM 962 C VAL A 66 76.628 15.032 -2.344 1.00 1.00 C ATOM 963 O VAL A 66 76.684 15.726 -1.348 1.00 1.00 O ATOM 964 CB VAL A 66 76.164 16.527 -4.311 1.00 1.00 C ATOM 965 CG1 VAL A 66 76.356 17.911 -3.687 1.00 1.00 C ATOM 966 CG2 VAL A 66 76.408 16.611 -5.819 1.00 1.00 C ATOM 0 H VAL A 66 78.360 14.132 -4.739 1.00 1.00 H new ATOM 0 HA VAL A 66 78.108 16.053 -3.521 1.00 1.00 H new ATOM 0 HB VAL A 66 75.147 16.182 -4.124 1.00 1.00 H new ATOM 0 HG11 VAL A 66 75.648 18.611 -4.130 1.00 1.00 H new ATOM 0 HG12 VAL A 66 76.184 17.853 -2.612 1.00 1.00 H new ATOM 0 HG13 VAL A 66 77.373 18.256 -3.873 1.00 1.00 H new ATOM 0 HG21 VAL A 66 75.701 17.311 -6.264 1.00 1.00 H new ATOM 0 HG22 VAL A 66 77.425 16.956 -6.004 1.00 1.00 H new ATOM 0 HG23 VAL A 66 76.272 15.626 -6.265 1.00 1.00 H new ATOM 976 N ILE A 67 76.120 13.826 -2.300 1.00 1.00 N ATOM 977 CA ILE A 67 75.598 13.285 -1.005 1.00 1.00 C ATOM 978 C ILE A 67 76.039 11.833 -0.815 1.00 1.00 C ATOM 979 O ILE A 67 75.376 10.913 -1.253 1.00 1.00 O ATOM 980 CB ILE A 67 74.069 13.346 -0.978 1.00 1.00 C ATOM 981 CG1 ILE A 67 73.615 14.801 -1.116 1.00 1.00 C ATOM 982 CG2 ILE A 67 73.558 12.778 0.347 1.00 1.00 C ATOM 983 CD1 ILE A 67 73.185 15.067 -2.560 1.00 1.00 C ATOM 0 H ILE A 67 76.044 13.195 -3.098 1.00 1.00 H new ATOM 0 HA ILE A 67 76.002 13.897 -0.198 1.00 1.00 H new ATOM 0 HB ILE A 67 73.668 12.759 -1.804 1.00 1.00 H new ATOM 0 HG12 ILE A 67 72.787 15.001 -0.436 1.00 1.00 H new ATOM 0 HG13 ILE A 67 74.426 15.474 -0.837 1.00 1.00 H new ATOM 0 HG21 ILE A 67 72.469 12.822 0.366 1.00 1.00 H new ATOM 0 HG22 ILE A 67 73.881 11.742 0.448 1.00 1.00 H new ATOM 0 HG23 ILE A 67 73.959 13.365 1.173 1.00 1.00 H new ATOM 0 HD11 ILE A 67 72.862 16.103 -2.658 1.00 1.00 H new ATOM 0 HD12 ILE A 67 74.025 14.884 -3.229 1.00 1.00 H new ATOM 0 HD13 ILE A 67 72.361 14.403 -2.822 1.00 1.00 H new ATOM 995 N CYS A 68 77.138 11.618 -0.145 1.00 1.00 N ATOM 996 CA CYS A 68 77.612 10.226 0.103 1.00 1.00 C ATOM 997 C CYS A 68 77.766 10.018 1.613 1.00 1.00 C ATOM 998 O CYS A 68 77.955 10.963 2.352 1.00 1.00 O ATOM 999 CB CYS A 68 78.959 10.015 -0.593 1.00 1.00 C ATOM 1000 SG CYS A 68 78.704 9.921 -2.383 1.00 1.00 S ATOM 0 H CYS A 68 77.732 12.351 0.244 1.00 1.00 H new ATOM 0 HA CYS A 68 76.892 9.509 -0.293 1.00 1.00 H new ATOM 0 HB2 CYS A 68 79.637 10.835 -0.354 1.00 1.00 H new ATOM 0 HB3 CYS A 68 79.427 9.099 -0.233 1.00 1.00 H new ATOM 1005 N PRO A 69 77.675 8.797 2.081 1.00 1.00 N ATOM 1006 CA PRO A 69 77.799 8.488 3.532 1.00 1.00 C ATOM 1007 C PRO A 69 78.882 9.327 4.218 1.00 1.00 C ATOM 1008 O PRO A 69 78.943 9.409 5.428 1.00 1.00 O ATOM 1009 CB PRO A 69 78.169 7.007 3.541 1.00 1.00 C ATOM 1010 CG PRO A 69 77.510 6.445 2.323 1.00 1.00 C ATOM 1011 CD PRO A 69 77.447 7.577 1.289 1.00 1.00 C ATOM 0 HA PRO A 69 76.885 8.715 4.082 1.00 1.00 H new ATOM 0 HB2 PRO A 69 79.250 6.868 3.506 1.00 1.00 H new ATOM 0 HB3 PRO A 69 77.813 6.515 4.446 1.00 1.00 H new ATOM 0 HG2 PRO A 69 78.075 5.598 1.934 1.00 1.00 H new ATOM 0 HG3 PRO A 69 76.510 6.080 2.558 1.00 1.00 H new ATOM 0 HD2 PRO A 69 78.207 7.455 0.517 1.00 1.00 H new ATOM 0 HD3 PRO A 69 76.481 7.603 0.785 1.00 1.00 H new ATOM 1019 N TRP A 70 79.733 9.955 3.454 1.00 1.00 N ATOM 1020 CA TRP A 70 80.803 10.790 4.064 1.00 1.00 C ATOM 1021 C TRP A 70 80.200 12.110 4.557 1.00 1.00 C ATOM 1022 O TRP A 70 80.821 12.844 5.299 1.00 1.00 O ATOM 1023 CB TRP A 70 81.884 11.078 3.019 1.00 1.00 C ATOM 1024 CG TRP A 70 82.122 9.852 2.198 1.00 1.00 C ATOM 1025 CD1 TRP A 70 81.957 8.582 2.632 1.00 1.00 C ATOM 1026 CD2 TRP A 70 82.565 9.756 0.812 1.00 1.00 C ATOM 1027 NE1 TRP A 70 82.268 7.712 1.604 1.00 1.00 N ATOM 1028 CE2 TRP A 70 82.649 8.386 0.461 1.00 1.00 C ATOM 1029 CE3 TRP A 70 82.897 10.712 -0.163 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 83.050 7.982 -0.815 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 83.300 10.310 -1.445 1.00 1.00 C ATOM 1032 CH2 TRP A 70 83.376 8.949 -1.772 1.00 1.00 C ATOM 0 H TRP A 70 79.733 9.925 2.434 1.00 1.00 H new ATOM 0 HA TRP A 70 81.246 10.257 4.905 1.00 1.00 H new ATOM 0 HB2 TRP A 70 81.575 11.904 2.378 1.00 1.00 H new ATOM 0 HB3 TRP A 70 82.807 11.385 3.510 1.00 1.00 H new ATOM 0 HD1 TRP A 70 81.634 8.294 3.622 1.00 1.00 H new ATOM 0 HE1 TRP A 70 82.222 6.696 1.681 1.00 1.00 H new ATOM 0 HE3 TRP A 70 82.841 11.764 0.076 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 83.108 6.932 -1.061 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 83.554 11.054 -2.185 1.00 1.00 H new ATOM 0 HH2 TRP A 70 83.686 8.647 -2.762 1.00 1.00 H new ATOM 1043 N GLU A 71 78.992 12.415 4.151 1.00 1.00 N ATOM 1044 CA GLU A 71 78.345 13.686 4.596 1.00 1.00 C ATOM 1045 C GLU A 71 76.999 13.369 5.249 1.00 1.00 C ATOM 1046 O GLU A 71 76.731 13.766 6.366 1.00 1.00 O ATOM 1047 CB GLU A 71 78.118 14.592 3.383 1.00 1.00 C ATOM 1048 CG GLU A 71 79.467 15.076 2.847 1.00 1.00 C ATOM 1049 CD GLU A 71 79.247 15.894 1.573 1.00 1.00 C ATOM 1050 OE1 GLU A 71 78.637 16.946 1.666 1.00 1.00 O ATOM 1051 OE2 GLU A 71 79.692 15.453 0.526 1.00 1.00 O ATOM 0 H GLU A 71 78.426 11.837 3.530 1.00 1.00 H new ATOM 0 HA GLU A 71 78.990 14.191 5.315 1.00 1.00 H new ATOM 0 HB2 GLU A 71 77.580 14.049 2.606 1.00 1.00 H new ATOM 0 HB3 GLU A 71 77.499 15.444 3.663 1.00 1.00 H new ATOM 0 HG2 GLU A 71 79.972 15.683 3.599 1.00 1.00 H new ATOM 0 HG3 GLU A 71 80.114 14.224 2.638 1.00 1.00 H new ATOM 1058 N ALA A 72 76.150 12.656 4.562 1.00 1.00 N ATOM 1059 CA ALA A 72 74.822 12.313 5.144 1.00 1.00 C ATOM 1060 C ALA A 72 74.988 11.182 6.162 1.00 1.00 C ATOM 1061 O ALA A 72 75.669 11.323 7.158 1.00 1.00 O ATOM 1062 CB ALA A 72 73.881 11.857 4.026 1.00 1.00 C ATOM 0 H ALA A 72 76.318 12.296 3.623 1.00 1.00 H new ATOM 0 HA ALA A 72 74.404 13.189 5.639 1.00 1.00 H new ATOM 0 HB1 ALA A 72 72.908 11.605 4.449 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.764 12.661 3.299 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.300 10.980 3.533 1.00 1.00 H new ATOM 1068 N CYS A 73 74.370 10.059 5.917 1.00 1.00 N ATOM 1069 CA CYS A 73 74.489 8.914 6.863 1.00 1.00 C ATOM 1070 C CYS A 73 75.966 8.642 7.155 1.00 1.00 C ATOM 1071 O CYS A 73 76.621 7.901 6.448 1.00 1.00 O ATOM 1072 CB CYS A 73 73.858 7.673 6.230 1.00 1.00 C ATOM 1073 SG CYS A 73 74.421 7.519 4.517 1.00 1.00 S ATOM 0 H CYS A 73 73.786 9.885 5.099 1.00 1.00 H new ATOM 0 HA CYS A 73 73.976 9.154 7.794 1.00 1.00 H new ATOM 0 HB2 CYS A 73 74.133 6.783 6.796 1.00 1.00 H new ATOM 0 HB3 CYS A 73 72.771 7.748 6.262 1.00 1.00 H new ATOM 1078 N ASN A 74 76.498 9.233 8.190 1.00 1.00 N ATOM 1079 CA ASN A 74 77.935 9.005 8.525 1.00 1.00 C ATOM 1080 C ASN A 74 78.057 7.817 9.482 1.00 1.00 C ATOM 1081 O ASN A 74 79.120 7.532 9.997 1.00 1.00 O ATOM 1082 CB ASN A 74 78.510 10.259 9.190 1.00 1.00 C ATOM 1083 CG ASN A 74 78.795 11.318 8.123 1.00 1.00 C ATOM 1084 OD1 ASN A 74 77.848 12.144 7.772 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 79.891 11.395 7.605 1.00 1.00 N flip ATOM 0 H ASN A 74 76.001 9.864 8.819 1.00 1.00 H new ATOM 0 HA ASN A 74 78.490 8.791 7.611 1.00 1.00 H new ATOM 0 HB2 ASN A 74 77.806 10.649 9.925 1.00 1.00 H new ATOM 0 HB3 ASN A 74 79.426 10.012 9.726 1.00 1.00 H new ATOM 0 HD21 ASN A 74 80.631 10.749 7.879 1.00 1.00 H new ATOM 0 HD22 ASN A 74 80.071 12.105 6.896 1.00 1.00 H new ATOM 1092 N HIS A 75 76.981 7.120 9.723 1.00 1.00 N ATOM 1093 CA HIS A 75 77.044 5.951 10.646 1.00 1.00 C ATOM 1094 C HIS A 75 77.784 4.801 9.959 1.00 1.00 C ATOM 1095 O HIS A 75 77.325 4.253 8.977 1.00 1.00 O ATOM 1096 CB HIS A 75 75.626 5.503 11.004 1.00 1.00 C ATOM 1097 CG HIS A 75 74.903 6.628 11.691 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.044 6.878 13.048 1.00 1.00 N ATOM 1099 CD2 HIS A 75 74.029 7.580 11.223 1.00 1.00 C ATOM 1100 CE1 HIS A 75 74.275 7.940 13.349 1.00 1.00 C ATOM 1101 NE2 HIS A 75 73.636 8.404 12.273 1.00 1.00 N ATOM 0 H HIS A 75 76.062 7.309 9.322 1.00 1.00 H new ATOM 0 HA HIS A 75 77.574 6.235 11.555 1.00 1.00 H new ATOM 0 HB2 HIS A 75 75.088 5.207 10.103 1.00 1.00 H new ATOM 0 HB3 HIS A 75 75.663 4.629 11.655 1.00 1.00 H new ATOM 0 HD2 HIS A 75 73.699 7.674 10.199 1.00 1.00 H new ATOM 0 HE1 HIS A 75 74.186 8.364 14.338 1.00 1.00 H new ATOM 0 HE2 HIS A 75 72.995 9.196 12.230 1.00 1.00 H new ATOM 1110 N CYS A 76 78.929 4.433 10.466 1.00 1.00 N ATOM 1111 CA CYS A 76 79.699 3.321 9.840 1.00 1.00 C ATOM 1112 C CYS A 76 80.594 2.664 10.893 1.00 1.00 C ATOM 1113 O CYS A 76 80.167 1.798 11.631 1.00 1.00 O ATOM 1114 CB CYS A 76 80.566 3.877 8.707 1.00 1.00 C ATOM 1115 SG CYS A 76 79.563 4.052 7.210 1.00 1.00 S ATOM 0 H CYS A 76 79.364 4.854 11.287 1.00 1.00 H new ATOM 0 HA CYS A 76 79.008 2.580 9.439 1.00 1.00 H new ATOM 0 HB2 CYS A 76 80.982 4.843 8.994 1.00 1.00 H new ATOM 0 HB3 CYS A 76 81.408 3.211 8.518 1.00 1.00 H new ATOM 1120 N GLU A 77 81.833 3.068 10.965 1.00 1.00 N ATOM 1121 CA GLU A 77 82.757 2.467 11.967 1.00 1.00 C ATOM 1122 C GLU A 77 82.323 2.883 13.374 1.00 1.00 C ATOM 1123 O GLU A 77 83.039 3.567 14.079 1.00 1.00 O ATOM 1124 CB GLU A 77 84.182 2.959 11.707 1.00 1.00 C ATOM 1125 CG GLU A 77 84.546 2.719 10.240 1.00 1.00 C ATOM 1126 CD GLU A 77 85.957 3.244 9.972 1.00 1.00 C ATOM 1127 OE1 GLU A 77 86.524 3.849 10.867 1.00 1.00 O ATOM 1128 OE2 GLU A 77 86.448 3.032 8.875 1.00 1.00 O ATOM 0 H GLU A 77 82.245 3.789 10.373 1.00 1.00 H new ATOM 0 HA GLU A 77 82.727 1.381 11.883 1.00 1.00 H new ATOM 0 HB2 GLU A 77 84.260 4.020 11.943 1.00 1.00 H new ATOM 0 HB3 GLU A 77 84.883 2.435 12.357 1.00 1.00 H new ATOM 0 HG2 GLU A 77 84.493 1.655 10.011 1.00 1.00 H new ATOM 0 HG3 GLU A 77 83.830 3.221 9.590 1.00 1.00 H new ATOM 1135 N LEU A 78 81.155 2.475 13.786 1.00 1.00 N ATOM 1136 CA LEU A 78 80.671 2.845 15.145 1.00 1.00 C ATOM 1137 C LEU A 78 79.541 1.896 15.550 1.00 1.00 C ATOM 1138 O LEU A 78 79.346 1.605 16.713 1.00 1.00 O ATOM 1139 CB LEU A 78 80.155 4.288 15.124 1.00 1.00 C ATOM 1140 CG LEU A 78 79.863 4.752 16.552 1.00 1.00 C ATOM 1141 CD1 LEU A 78 81.153 5.264 17.197 1.00 1.00 C ATOM 1142 CD2 LEU A 78 78.829 5.879 16.520 1.00 1.00 C ATOM 0 H LEU A 78 80.514 1.900 13.239 1.00 1.00 H new ATOM 0 HA LEU A 78 81.486 2.766 15.864 1.00 1.00 H new ATOM 0 HB2 LEU A 78 80.895 4.942 14.663 1.00 1.00 H new ATOM 0 HB3 LEU A 78 79.251 4.352 14.518 1.00 1.00 H new ATOM 0 HG LEU A 78 79.473 3.916 17.132 1.00 1.00 H new ATOM 0 HD11 LEU A 78 80.945 5.595 18.215 1.00 1.00 H new ATOM 0 HD12 LEU A 78 81.891 4.462 17.220 1.00 1.00 H new ATOM 0 HD13 LEU A 78 81.543 6.100 16.617 1.00 1.00 H new ATOM 0 HD21 LEU A 78 78.620 6.210 17.537 1.00 1.00 H new ATOM 0 HD22 LEU A 78 79.219 6.715 15.939 1.00 1.00 H new ATOM 0 HD23 LEU A 78 77.909 5.516 16.061 1.00 1.00 H new ATOM 1154 N HIS A 79 78.798 1.407 14.593 1.00 1.00 N ATOM 1155 CA HIS A 79 77.682 0.471 14.912 1.00 1.00 C ATOM 1156 C HIS A 79 77.247 -0.252 13.635 1.00 1.00 C ATOM 1157 O HIS A 79 77.784 -1.284 13.285 1.00 1.00 O ATOM 1158 CB HIS A 79 76.497 1.256 15.485 1.00 1.00 C ATOM 1159 CG HIS A 79 76.762 1.581 16.929 1.00 1.00 C ATOM 1160 ND1 HIS A 79 76.961 0.595 17.884 1.00 1.00 N ATOM 1161 CD2 HIS A 79 76.865 2.777 17.597 1.00 1.00 C ATOM 1162 CE1 HIS A 79 77.171 1.206 19.063 1.00 1.00 C ATOM 1163 NE2 HIS A 79 77.123 2.534 18.943 1.00 1.00 N ATOM 0 H HIS A 79 78.917 1.616 13.602 1.00 1.00 H new ATOM 0 HA HIS A 79 78.019 -0.258 15.649 1.00 1.00 H new ATOM 0 HB2 HIS A 79 76.346 2.174 14.916 1.00 1.00 H new ATOM 0 HB3 HIS A 79 75.582 0.671 15.395 1.00 1.00 H new ATOM 0 HD2 HIS A 79 76.762 3.754 17.148 1.00 1.00 H new ATOM 0 HE1 HIS A 79 77.356 0.687 19.992 1.00 1.00 H new ATOM 0 HE2 HIS A 79 77.249 3.226 19.682 1.00 1.00 H new ATOM 1172 N GLU A 80 76.281 0.283 12.937 1.00 1.00 N ATOM 1173 CA GLU A 80 75.809 -0.368 11.679 1.00 1.00 C ATOM 1174 C GLU A 80 74.912 -1.561 12.023 1.00 1.00 C ATOM 1175 O GLU A 80 73.769 -1.627 11.616 1.00 1.00 O ATOM 1176 CB GLU A 80 77.017 -0.845 10.860 1.00 1.00 C ATOM 1177 CG GLU A 80 76.702 -0.728 9.367 1.00 1.00 C ATOM 1178 CD GLU A 80 77.818 -1.389 8.556 1.00 1.00 C ATOM 1179 OE1 GLU A 80 78.399 -2.341 9.051 1.00 1.00 O ATOM 1180 OE2 GLU A 80 78.073 -0.931 7.454 1.00 1.00 O ATOM 0 H GLU A 80 75.797 1.146 13.184 1.00 1.00 H new ATOM 0 HA GLU A 80 75.239 0.352 11.091 1.00 1.00 H new ATOM 0 HB2 GLU A 80 77.895 -0.247 11.105 1.00 1.00 H new ATOM 0 HB3 GLU A 80 77.255 -1.878 11.112 1.00 1.00 H new ATOM 0 HG2 GLU A 80 75.747 -1.205 9.148 1.00 1.00 H new ATOM 0 HG3 GLU A 80 76.606 0.321 9.086 1.00 1.00 H new ATOM 1187 N LEU A 81 75.418 -2.505 12.769 1.00 1.00 N ATOM 1188 CA LEU A 81 74.588 -3.687 13.134 1.00 1.00 C ATOM 1189 C LEU A 81 73.489 -3.250 14.105 1.00 1.00 C ATOM 1190 O LEU A 81 72.421 -3.826 14.150 1.00 1.00 O ATOM 1191 CB LEU A 81 75.470 -4.753 13.798 1.00 1.00 C ATOM 1192 CG LEU A 81 76.564 -4.076 14.625 1.00 1.00 C ATOM 1193 CD1 LEU A 81 76.865 -4.922 15.864 1.00 1.00 C ATOM 1194 CD2 LEU A 81 77.833 -3.944 13.779 1.00 1.00 C ATOM 0 H LEU A 81 76.368 -2.509 13.140 1.00 1.00 H new ATOM 0 HA LEU A 81 74.136 -4.107 12.236 1.00 1.00 H new ATOM 0 HB2 LEU A 81 74.863 -5.395 14.436 1.00 1.00 H new ATOM 0 HB3 LEU A 81 75.919 -5.392 13.038 1.00 1.00 H new ATOM 0 HG LEU A 81 76.226 -3.087 14.934 1.00 1.00 H new ATOM 0 HD11 LEU A 81 77.645 -4.440 16.453 1.00 1.00 H new ATOM 0 HD12 LEU A 81 75.962 -5.019 16.467 1.00 1.00 H new ATOM 0 HD13 LEU A 81 77.203 -5.911 15.556 1.00 1.00 H new ATOM 0 HD21 LEU A 81 78.614 -3.462 14.367 1.00 1.00 H new ATOM 0 HD22 LEU A 81 78.170 -4.934 13.471 1.00 1.00 H new ATOM 0 HD23 LEU A 81 77.620 -3.342 12.895 1.00 1.00 H new ATOM 1206 N ALA A 82 73.744 -2.234 14.882 1.00 1.00 N ATOM 1207 CA ALA A 82 72.714 -1.759 15.849 1.00 1.00 C ATOM 1208 C ALA A 82 71.529 -1.171 15.080 1.00 1.00 C ATOM 1209 O ALA A 82 70.387 -1.329 15.465 1.00 1.00 O ATOM 1210 CB ALA A 82 73.324 -0.686 16.753 1.00 1.00 C ATOM 0 H ALA A 82 74.620 -1.712 14.889 1.00 1.00 H new ATOM 0 HA ALA A 82 72.371 -2.594 16.459 1.00 1.00 H new ATOM 0 HB1 ALA A 82 72.573 -0.337 17.461 1.00 1.00 H new ATOM 0 HB2 ALA A 82 74.169 -1.107 17.298 1.00 1.00 H new ATOM 0 HB3 ALA A 82 73.666 0.151 16.144 1.00 1.00 H new ATOM 1216 N GLN A 83 71.791 -0.495 13.995 1.00 1.00 N ATOM 1217 CA GLN A 83 70.679 0.100 13.202 1.00 1.00 C ATOM 1218 C GLN A 83 69.887 -1.024 12.528 1.00 1.00 C ATOM 1219 O GLN A 83 68.928 -0.783 11.822 1.00 1.00 O ATOM 1220 CB GLN A 83 71.260 1.041 12.136 1.00 1.00 C ATOM 1221 CG GLN A 83 71.023 2.494 12.552 1.00 1.00 C ATOM 1222 CD GLN A 83 71.819 3.425 11.635 1.00 1.00 C ATOM 1223 OE1 GLN A 83 73.010 3.593 11.807 1.00 1.00 O ATOM 1224 NE2 GLN A 83 71.207 4.041 10.661 1.00 1.00 N ATOM 0 H GLN A 83 72.726 -0.329 13.624 1.00 1.00 H new ATOM 0 HA GLN A 83 70.018 0.667 13.857 1.00 1.00 H new ATOM 0 HB2 GLN A 83 72.327 0.856 12.015 1.00 1.00 H new ATOM 0 HB3 GLN A 83 70.792 0.847 11.171 1.00 1.00 H new ATOM 0 HG2 GLN A 83 69.961 2.731 12.494 1.00 1.00 H new ATOM 0 HG3 GLN A 83 71.327 2.641 13.589 1.00 1.00 H new ATOM 0 HE21 GLN A 83 70.207 3.900 10.517 1.00 1.00 H new ATOM 0 HE22 GLN A 83 71.728 4.664 10.044 1.00 1.00 H new ATOM 1233 N TYR A 84 70.283 -2.251 12.740 1.00 1.00 N ATOM 1234 CA TYR A 84 69.556 -3.391 12.113 1.00 1.00 C ATOM 1235 C TYR A 84 69.597 -4.599 13.050 1.00 1.00 C ATOM 1236 O TYR A 84 68.883 -4.659 14.032 1.00 1.00 O ATOM 1237 CB TYR A 84 70.222 -3.748 10.782 1.00 1.00 C ATOM 1238 CG TYR A 84 69.911 -2.678 9.763 1.00 1.00 C ATOM 1239 CD1 TYR A 84 68.636 -2.608 9.189 1.00 1.00 C ATOM 1240 CD2 TYR A 84 70.897 -1.756 9.393 1.00 1.00 C ATOM 1241 CE1 TYR A 84 68.347 -1.616 8.244 1.00 1.00 C ATOM 1242 CE2 TYR A 84 70.608 -0.764 8.448 1.00 1.00 C ATOM 1243 CZ TYR A 84 69.333 -0.694 7.874 1.00 1.00 C ATOM 1244 OH TYR A 84 69.048 0.284 6.943 1.00 1.00 O ATOM 0 H TYR A 84 71.080 -2.512 13.321 1.00 1.00 H new ATOM 0 HA TYR A 84 68.518 -3.109 11.934 1.00 1.00 H new ATOM 0 HB2 TYR A 84 71.300 -3.837 10.915 1.00 1.00 H new ATOM 0 HB3 TYR A 84 69.863 -4.715 10.431 1.00 1.00 H new ATOM 0 HD1 TYR A 84 67.875 -3.319 9.475 1.00 1.00 H new ATOM 0 HD2 TYR A 84 71.880 -1.810 9.836 1.00 1.00 H new ATOM 0 HE1 TYR A 84 67.364 -1.562 7.801 1.00 1.00 H new ATOM 0 HE2 TYR A 84 71.369 -0.053 8.162 1.00 1.00 H new ATOM 0 HH TYR A 84 69.841 0.841 6.801 1.00 1.00 H new ATOM 1254 N GLY A 85 70.426 -5.562 12.760 1.00 1.00 N ATOM 1255 CA GLY A 85 70.509 -6.762 13.639 1.00 1.00 C ATOM 1256 C GLY A 85 71.573 -7.715 13.097 1.00 1.00 C ATOM 1257 O GLY A 85 71.300 -8.552 12.259 1.00 1.00 O ATOM 0 H GLY A 85 71.050 -5.571 11.953 1.00 1.00 H new ATOM 0 HA2 GLY A 85 70.757 -6.464 14.658 1.00 1.00 H new ATOM 0 HA3 GLY A 85 69.542 -7.264 13.680 1.00 1.00 H new ATOM 1261 N ILE A 86 72.785 -7.597 13.564 1.00 1.00 N ATOM 1262 CA ILE A 86 73.862 -8.498 13.068 1.00 1.00 C ATOM 1263 C ILE A 86 73.842 -8.499 11.535 1.00 1.00 C ATOM 1264 O ILE A 86 74.103 -9.502 10.902 1.00 1.00 O ATOM 1265 CB ILE A 86 73.624 -9.926 13.582 1.00 1.00 C ATOM 1266 CG1 ILE A 86 73.179 -9.872 15.045 1.00 1.00 C ATOM 1267 CG2 ILE A 86 74.920 -10.731 13.475 1.00 1.00 C ATOM 1268 CD1 ILE A 86 74.390 -9.600 15.938 1.00 1.00 C ATOM 0 H ILE A 86 73.076 -6.917 14.266 1.00 1.00 H new ATOM 0 HA ILE A 86 74.828 -8.145 13.428 1.00 1.00 H new ATOM 0 HB ILE A 86 72.850 -10.403 12.982 1.00 1.00 H new ATOM 0 HG12 ILE A 86 72.432 -9.090 15.180 1.00 1.00 H new ATOM 0 HG13 ILE A 86 72.710 -10.814 15.328 1.00 1.00 H new ATOM 0 HG21 ILE A 86 74.750 -11.744 13.840 1.00 1.00 H new ATOM 0 HG22 ILE A 86 75.240 -10.769 12.434 1.00 1.00 H new ATOM 0 HG23 ILE A 86 75.695 -10.254 14.075 1.00 1.00 H new ATOM 0 HD11 ILE A 86 74.072 -9.562 16.980 1.00 1.00 H new ATOM 0 HD12 ILE A 86 75.122 -10.397 15.811 1.00 1.00 H new ATOM 0 HD13 ILE A 86 74.840 -8.647 15.661 1.00 1.00 H new ATOM 1280 N CYS A 87 73.529 -7.383 10.935 1.00 1.00 N ATOM 1281 CA CYS A 87 73.487 -7.325 9.447 1.00 1.00 C ATOM 1282 C CYS A 87 74.823 -7.818 8.882 1.00 1.00 C ATOM 1283 CB CYS A 87 73.232 -5.878 9.002 1.00 1.00 C ATOM 1284 SG CYS A 87 74.776 -5.147 8.404 1.00 1.00 S ATOM 0 H CYS A 87 73.301 -6.510 11.411 1.00 1.00 H new ATOM 0 HA CYS A 87 72.684 -7.961 9.075 1.00 1.00 H new ATOM 0 HB2 CYS A 87 72.478 -5.856 8.215 1.00 1.00 H new ATOM 0 HB3 CYS A 87 72.840 -5.294 9.835 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 60.057 -15.988 -0.847 1.00 1.00 C HETATM 1291 O1G RCY A 110 60.442 -13.912 -4.070 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.698 -12.332 0.024 1.00 1.00 O HETATM 1293 O1J RCY A 110 58.662 -14.990 1.629 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.948 -11.968 -2.673 1.00 1.00 C HETATM 1295 C1M RCY A 110 56.817 -14.407 -1.681 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.191 -13.242 -3.070 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.146 -12.383 -1.121 1.00 1.00 C HETATM 1298 N1R RCY A 110 59.088 -13.575 -2.067 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.862 -11.263 -1.853 1.00 1.00 C HETATM 1300 C1U RCY A 110 58.158 -14.790 -2.017 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.796 -17.113 -1.077 1.00 1.00 C HETATM 1302 N1V RCY A 110 58.046 -15.040 0.307 1.00 1.00 N HETATM 1303 C1W RCY A 110 56.758 -14.356 -0.149 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.542 -15.785 -0.924 1.00 1.00 C HETATM 1305 C1Y RCY A 110 55.535 -15.118 0.368 1.00 1.00 C HETATM 1306 C1Z RCY A 110 56.750 -12.915 0.359 1.00 1.00 C HETATM 0 H1ZB RCY A 110 57.657 -12.408 0.030 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 55.879 -12.394 -0.039 1.00 1.00 H new HETATM 0 H1YB RCY A 110 54.628 -14.667 -0.036 1.00 1.00 H new HETATM 0 H1YA RCY A 110 55.595 -16.159 0.051 1.00 1.00 H new HETATM 0 H1VB RCY A 110 58.121 -17.610 -1.991 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.012 -17.752 -0.221 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.569 -13.437 -2.113 1.00 1.00 H new HETATM 0 H1LA RCY A 110 61.842 -12.179 -2.087 1.00 1.00 H new HETATM 0 H1CB RCY A 110 60.422 -16.370 -1.801 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.541 -15.036 -0.628 1.00 1.00 H new HETATM 0 H1Z RCY A 110 56.708 -12.913 1.448 1.00 1.00 H new HETATM 0 H1Y RCY A 110 55.510 -15.071 1.457 1.00 1.00 H new HETATM 0 H1V RCY A 110 56.724 -16.924 -1.128 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.240 -15.233 -3.010 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.178 -10.708 -2.495 1.00 1.00 H new HETATM 0 H1M RCY A 110 56.097 -15.124 -2.075 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.264 -11.384 -3.537 1.00 1.00 H new HETATM 0 H1C RCY A 110 60.289 -16.703 -0.057 1.00 1.00 H new HETATM 1309 C1C RCY A 121 57.718 2.451 3.464 1.00 1.00 C HETATM 1310 O1G RCY A 121 60.351 4.440 4.080 1.00 1.00 O HETATM 1311 O1H RCY A 121 58.438 6.228 0.150 1.00 1.00 O HETATM 1312 O1J RCY A 121 58.203 -0.228 2.177 1.00 1.00 O HETATM 1313 C1L RCY A 121 60.079 6.721 3.237 1.00 1.00 C HETATM 1314 C1M RCY A 121 59.936 2.764 0.519 1.00 1.00 C HETATM 1315 C1P RCY A 121 59.975 5.192 3.182 1.00 1.00 C HETATM 1316 C1Q RCY A 121 59.186 6.024 1.105 1.00 1.00 C HETATM 1317 N1R RCY A 121 59.346 4.718 1.872 1.00 1.00 N HETATM 1318 C1S RCY A 121 60.125 7.035 1.738 1.00 1.00 C HETATM 1319 C1U RCY A 121 58.970 3.301 1.435 1.00 1.00 C HETATM 1320 C1V RCY A 121 60.252 2.387 3.418 1.00 1.00 C HETATM 1321 N1V RCY A 121 58.920 0.993 1.820 1.00 1.00 N HETATM 1322 C1W RCY A 121 59.789 1.239 0.589 1.00 1.00 C HETATM 1323 C1X RCY A 121 58.967 2.304 2.592 1.00 1.00 C HETATM 1324 C1Y RCY A 121 61.158 0.574 0.758 1.00 1.00 C HETATM 1325 C1Z RCY A 121 59.074 0.692 -0.647 1.00 1.00 C HETATM 0 H1ZB RCY A 121 58.080 1.133 -0.717 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 59.646 0.944 -1.540 1.00 1.00 H new HETATM 0 H1YB RCY A 121 61.794 0.829 -0.090 1.00 1.00 H new HETATM 0 H1YA RCY A 121 61.623 0.927 1.679 1.00 1.00 H new HETATM 0 H1VB RCY A 121 60.299 3.353 3.922 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.259 1.590 4.161 1.00 1.00 H new HETATM 0 H1MA RCY A 121 59.756 3.126 -0.493 1.00 1.00 H new HETATM 0 H1LA RCY A 121 59.224 7.180 3.733 1.00 1.00 H new HETATM 0 H1CB RCY A 121 57.681 3.458 3.880 1.00 1.00 H new HETATM 0 H1CA RCY A 121 56.829 2.275 2.859 1.00 1.00 H new HETATM 0 H1Z RCY A 121 58.986 -0.391 -0.567 1.00 1.00 H new HETATM 0 H1Y RCY A 121 61.034 -0.508 0.806 1.00 1.00 H new HETATM 0 H1V RCY A 121 61.115 2.278 2.761 1.00 1.00 H new HETATM 0 H1U RCY A 121 57.978 3.410 0.997 1.00 1.00 H new HETATM 0 H1S RCY A 121 61.136 6.938 1.344 1.00 1.00 H new HETATM 0 H1M RCY A 121 60.945 3.071 0.793 1.00 1.00 H new HETATM 0 H1L RCY A 121 60.972 7.060 3.762 1.00 1.00 H new HETATM 0 H1C RCY A 121 57.753 1.724 4.276 1.00 1.00 H new HETATM 1328 C1C RCY A 130 75.026 3.792 -8.503 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.956 0.248 -11.923 1.00 1.00 O HETATM 1330 O1H RCY A 130 74.141 4.005 -11.410 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.532 2.197 -5.999 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.244 2.028 -13.444 1.00 1.00 C HETATM 1333 C1M RCY A 130 75.781 0.258 -9.299 1.00 1.00 C HETATM 1334 C1P RCY A 130 76.278 1.256 -12.119 1.00 1.00 C HETATM 1335 C1Q RCY A 130 74.701 3.010 -11.868 1.00 1.00 C HETATM 1336 N1R RCY A 130 75.365 1.893 -11.073 1.00 1.00 N HETATM 1337 C1S RCY A 130 74.855 2.668 -13.339 1.00 1.00 C HETATM 1338 C1U RCY A 130 75.163 1.516 -9.604 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.286 2.770 -9.028 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.768 1.696 -7.350 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.007 0.250 -7.782 1.00 1.00 C HETATM 1342 C1X RCY A 130 75.831 2.498 -8.643 1.00 1.00 C HETATM 1343 C1Y RCY A 130 77.441 -0.176 -7.453 1.00 1.00 C HETATM 1344 C1Z RCY A 130 75.000 -0.656 -7.074 1.00 1.00 C HETATM 0 H1ZB RCY A 130 73.989 -0.300 -7.271 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.105 -1.676 -7.445 1.00 1.00 H new HETATM 0 H1YB RCY A 130 77.621 -1.178 -7.842 1.00 1.00 H new HETATM 0 H1YA RCY A 130 78.142 0.522 -7.911 1.00 1.00 H new HETATM 0 H1VB RCY A 130 77.318 3.296 -9.982 1.00 1.00 H new HETATM 0 H1VA RCY A 130 77.757 3.383 -8.260 1.00 1.00 H new HETATM 0 H1MA RCY A 130 75.144 -0.573 -9.602 1.00 1.00 H new HETATM 0 H1LA RCY A 130 77.040 2.769 -13.516 1.00 1.00 H new HETATM 0 H1CB RCY A 130 74.938 4.273 -9.477 1.00 1.00 H new HETATM 0 H1CA RCY A 130 74.031 3.562 -8.121 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.188 -0.639 -6.000 1.00 1.00 H new HETATM 0 H1U RCY A 130 74.081 1.503 -9.476 1.00 1.00 H new HETATM 0 H1S RCY A 130 74.076 1.981 -13.670 1.00 1.00 H new HETATM 0 H1M RCY A 130 76.724 0.148 -9.834 1.00 1.00 H new HETATM 0 H1L RCY A 130 76.338 1.374 -14.311 1.00 1.00 H new HETATM 0 H1C RCY A 130 75.534 4.464 -7.811 1.00 1.00 H new HETATM 1347 C1C RCY A 138 85.073 3.617 -1.548 1.00 1.00 C HETATM 1348 O1G RCY A 138 89.098 0.908 -2.049 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.492 1.019 -1.014 1.00 1.00 O HETATM 1350 O1J RCY A 138 83.679 2.593 0.917 1.00 1.00 O HETATM 1351 C1L RCY A 138 87.221 -0.558 -2.606 1.00 1.00 C HETATM 1352 C1M RCY A 138 87.512 2.531 1.014 1.00 1.00 C HETATM 1353 C1P RCY A 138 87.903 0.640 -1.934 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.641 0.631 -1.220 1.00 1.00 C HETATM 1355 N1R RCY A 138 86.915 1.458 -1.105 1.00 1.00 N HETATM 1356 C1S RCY A 138 86.051 -0.769 -1.639 1.00 1.00 C HETATM 1357 C1U RCY A 138 87.137 2.770 -0.350 1.00 1.00 C HETATM 1358 C1V RCY A 138 86.166 5.031 0.250 1.00 1.00 C HETATM 1359 N1V RCY A 138 85.117 2.833 0.830 1.00 1.00 N HETATM 1360 C1W RCY A 138 86.203 2.357 1.793 1.00 1.00 C HETATM 1361 C1X RCY A 138 85.867 3.613 -0.240 1.00 1.00 C HETATM 1362 C1Y RCY A 138 86.211 3.218 3.059 1.00 1.00 C HETATM 1363 C1Z RCY A 138 85.954 0.889 2.142 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.892 0.303 1.225 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 86.774 0.517 2.756 1.00 1.00 H new HETATM 0 H1YB RCY A 138 87.043 2.920 3.697 1.00 1.00 H new HETATM 0 H1YA RCY A 138 86.322 4.267 2.785 1.00 1.00 H new HETATM 0 H1VB RCY A 138 86.751 5.560 -0.502 1.00 1.00 H new HETATM 0 H1VA RCY A 138 85.230 5.562 0.421 1.00 1.00 H new HETATM 0 H1MA RCY A 138 88.135 1.641 1.096 1.00 1.00 H new HETATM 0 H1CB RCY A 138 85.689 4.030 -2.347 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.785 2.597 -1.802 1.00 1.00 H new HETATM 0 H1Z RCY A 138 85.018 0.800 2.694 1.00 1.00 H new HETATM 0 H1Y RCY A 138 85.274 3.081 3.598 1.00 1.00 H new HETATM 0 H1V RCY A 138 86.731 4.983 1.181 1.00 1.00 H new HETATM 0 H1U RCY A 138 87.911 3.281 -0.923 1.00 1.00 H new HETATM 0 H1S RCY A 138 86.351 -1.368 -0.779 1.00 1.00 H new HETATM 0 H1M RCY A 138 88.093 3.364 1.410 1.00 1.00 H new HETATM 0 H1C RCY A 138 84.178 4.227 -1.428 1.00 1.00 H new HETATM 1366 C1C RCY A 150 76.715 -6.091 2.238 1.00 1.00 C HETATM 1367 O1G RCY A 150 74.130 -5.888 -1.834 1.00 1.00 O HETATM 1368 O1H RCY A 150 75.861 -8.957 1.311 1.00 1.00 O HETATM 1369 O1J RCY A 150 76.943 -3.595 0.568 1.00 1.00 O HETATM 1370 C1L RCY A 150 75.314 -8.019 -2.049 1.00 1.00 C HETATM 1371 C1M RCY A 150 73.430 -5.107 0.848 1.00 1.00 C HETATM 1372 C1P RCY A 150 74.698 -6.835 -1.292 1.00 1.00 C HETATM 1373 C1Q RCY A 150 75.725 -8.241 0.320 1.00 1.00 C HETATM 1374 N1R RCY A 150 74.877 -6.980 0.218 1.00 1.00 N HETATM 1375 C1S RCY A 150 76.377 -8.454 -1.034 1.00 1.00 C HETATM 1376 C1U RCY A 150 74.345 -6.093 1.346 1.00 1.00 C HETATM 1377 C1V RCY A 150 74.952 -4.623 3.317 1.00 1.00 C HETATM 1378 N1V RCY A 150 75.675 -4.207 0.956 1.00 1.00 N HETATM 1379 C1W RCY A 150 74.288 -3.923 0.383 1.00 1.00 C HETATM 1380 C1X RCY A 150 75.442 -5.270 2.020 1.00 1.00 C HETATM 1381 C1Y RCY A 150 73.737 -2.608 0.941 1.00 1.00 C HETATM 1382 C1Z RCY A 150 74.377 -3.866 -1.142 1.00 1.00 C HETATM 0 H1ZB RCY A 150 74.826 -4.787 -1.515 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 73.377 -3.754 -1.561 1.00 1.00 H new HETATM 0 H1YB RCY A 150 72.715 -2.463 0.590 1.00 1.00 H new HETATM 0 H1YA RCY A 150 73.745 -2.643 2.030 1.00 1.00 H new HETATM 0 H1MA RCY A 150 72.838 -5.506 0.024 1.00 1.00 H new HETATM 0 H1LA RCY A 150 74.588 -8.805 -2.256 1.00 1.00 H new HETATM 0 H1CB RCY A 150 76.491 -6.948 2.873 1.00 1.00 H new HETATM 0 H1CA RCY A 150 77.091 -6.441 1.277 1.00 1.00 H new HETATM 0 H1Z RCY A 150 74.992 -3.016 -1.439 1.00 1.00 H new HETATM 0 H1Y RCY A 150 74.358 -1.780 0.601 1.00 1.00 H new HETATM 0 H1U RCY A 150 73.882 -6.793 2.042 1.00 1.00 H new HETATM 0 H1S RCY A 150 77.286 -7.861 -1.134 1.00 1.00 H new HETATM 0 H1M RCY A 150 72.729 -4.799 1.624 1.00 1.00 H new HETATM 0 H1L RCY A 150 75.746 -7.724 -3.005 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.122 2.504 -6.244 1.00 1.00 C HETATM 1386 O1G RCY A 160 75.953 -0.105 -5.788 1.00 1.00 O HETATM 1387 O1H RCY A 160 78.734 3.524 -6.969 1.00 1.00 O HETATM 1388 O1J RCY A 160 73.904 0.198 -4.319 1.00 1.00 O HETATM 1389 C1L RCY A 160 77.776 0.153 -7.399 1.00 1.00 C HETATM 1390 C1M RCY A 160 76.748 2.680 -3.642 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.784 0.623 -6.328 1.00 1.00 C HETATM 1392 C1Q RCY A 160 78.017 2.526 -7.026 1.00 1.00 C HETATM 1393 N1R RCY A 160 76.958 2.108 -6.014 1.00 1.00 N HETATM 1394 C1S RCY A 160 78.027 1.479 -8.125 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.255 2.965 -4.959 1.00 1.00 C HETATM 1396 C1V RCY A 160 74.028 3.730 -4.027 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.786 1.345 -4.125 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.942 1.477 -3.136 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.758 2.676 -4.863 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.412 1.740 -1.724 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.777 0.196 -3.168 1.00 1.00 C HETATM 0 H1ZB RCY A 160 77.095 -0.005 -4.191 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 77.654 0.317 -2.532 1.00 1.00 H new HETATM 0 H1YB RCY A 160 76.249 1.914 -1.048 1.00 1.00 H new HETATM 0 H1YA RCY A 160 74.766 2.618 -1.735 1.00 1.00 H new HETATM 0 H1VB RCY A 160 74.063 4.690 -4.541 1.00 1.00 H new HETATM 0 H1VA RCY A 160 72.989 3.430 -3.890 1.00 1.00 H new HETATM 0 H1MA RCY A 160 77.814 2.453 -3.666 1.00 1.00 H new HETATM 0 H1LA RCY A 160 78.686 -0.266 -6.970 1.00 1.00 H new HETATM 0 H1CB RCY A 160 74.257 3.417 -6.823 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.178 -0.638 -2.803 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.843 0.876 -1.382 1.00 1.00 H new HETATM 0 H1V RCY A 160 74.511 3.821 -3.054 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.446 3.991 -5.274 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.620 3.539 -2.984 1.00 1.00 H new HETATM 0 H1L RCY A 160 77.353 -0.608 -8.055 1.00 1.00 H new HETATM 0 H1C RCY A 160 73.057 2.300 -6.131 1.00 1.00 H new HETATM 1404 C1C RCY A 168 75.289 5.552 1.497 1.00 1.00 C HETATM 1405 O1G RCY A 168 76.590 5.267 -1.863 1.00 1.00 O HETATM 1406 O1H RCY A 168 76.239 9.823 -0.672 1.00 1.00 O HETATM 1407 O1J RCY A 168 72.358 4.889 1.695 1.00 1.00 O HETATM 1408 C1L RCY A 168 78.012 7.217 -2.264 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.364 7.179 -1.212 1.00 1.00 C HETATM 1410 C1P RCY A 168 76.773 6.477 -1.744 1.00 1.00 C HETATM 1411 C1Q RCY A 168 76.451 8.785 -1.297 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.795 7.431 -1.060 1.00 1.00 N HETATM 1413 C1S RCY A 168 77.421 8.618 -2.453 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.490 7.118 -0.325 1.00 1.00 C HETATM 1415 C1V RCY A 168 74.835 4.662 -0.833 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.966 5.577 0.560 1.00 1.00 N HETATM 1417 C1W RCY A 168 72.258 6.341 -0.558 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.447 5.694 0.227 1.00 1.00 C HETATM 1419 C1Y RCY A 168 71.651 5.366 -1.570 1.00 1.00 C HETATM 1420 C1Z RCY A 168 71.174 7.230 0.052 1.00 1.00 C HETATM 0 H1ZB RCY A 168 71.616 7.873 0.812 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 70.726 7.845 -0.728 1.00 1.00 H new HETATM 0 H1YB RCY A 168 71.224 5.925 -2.403 1.00 1.00 H new HETATM 0 H1YA RCY A 168 72.427 4.697 -1.942 1.00 1.00 H new HETATM 0 H1VB RCY A 168 75.883 4.793 -1.102 1.00 1.00 H new HETATM 0 H1VA RCY A 168 74.686 3.658 -0.435 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.038 8.209 -1.357 1.00 1.00 H new HETATM 0 H1LA RCY A 168 78.836 7.204 -1.550 1.00 1.00 H new HETATM 0 H1CB RCY A 168 76.327 5.802 1.275 1.00 1.00 H new HETATM 0 H1CA RCY A 168 74.909 6.228 2.263 1.00 1.00 H new HETATM 0 H1Z RCY A 168 70.405 6.606 0.507 1.00 1.00 H new HETATM 0 H1Y RCY A 168 70.869 4.781 -1.087 1.00 1.00 H new HETATM 0 H1V RCY A 168 74.213 4.798 -1.718 1.00 1.00 H new HETATM 0 H1U RCY A 168 74.447 7.859 0.473 1.00 1.00 H new HETATM 0 H1S RCY A 168 76.912 8.707 -3.413 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.621 6.785 -2.195 1.00 1.00 H new HETATM 0 H1L RCY A 168 78.390 6.795 -3.195 1.00 1.00 H new HETATM 0 H1C RCY A 168 75.232 4.525 1.858 1.00 1.00 H new HETATM 1423 C1C RCY A 173 76.377 0.823 4.276 1.00 1.00 C HETATM 1424 O1G RCY A 173 75.736 2.944 6.451 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.423 5.146 2.973 1.00 1.00 O HETATM 1426 O1J RCY A 173 75.350 -1.020 2.127 1.00 1.00 O HETATM 1427 C1L RCY A 173 75.232 5.296 6.001 1.00 1.00 C HETATM 1428 C1M RCY A 173 73.398 2.246 2.605 1.00 1.00 C HETATM 1429 C1P RCY A 173 75.242 3.790 5.708 1.00 1.00 C HETATM 1430 C1Q RCY A 173 74.249 4.863 3.839 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.561 3.472 4.377 1.00 1.00 N HETATM 1432 C1S RCY A 173 75.149 5.841 4.571 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.265 2.113 3.741 1.00 1.00 C HETATM 1434 C1V RCY A 173 76.317 2.389 2.283 1.00 1.00 C HETATM 1435 N1V RCY A 173 74.872 0.344 2.332 1.00 1.00 N HETATM 1436 C1W RCY A 173 73.616 0.991 1.751 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.514 1.439 3.174 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.838 1.370 0.284 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.444 0.018 1.885 1.00 1.00 C HETATM 0 H1ZB RCY A 173 72.340 -0.285 2.927 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 71.527 0.506 1.556 1.00 1.00 H new HETATM 0 H1YB RCY A 173 72.965 1.904 -0.090 1.00 1.00 H new HETATM 0 H1YA RCY A 173 74.717 2.010 0.202 1.00 1.00 H new HETATM 0 H1VB RCY A 173 76.725 3.198 2.889 1.00 1.00 H new HETATM 0 H1VA RCY A 173 77.133 1.842 1.811 1.00 1.00 H new HETATM 0 H1MA RCY A 173 72.357 2.328 2.917 1.00 1.00 H new HETATM 0 H1LA RCY A 173 74.381 5.597 6.612 1.00 1.00 H new HETATM 0 H1CB RCY A 173 76.694 1.603 4.969 1.00 1.00 H new HETATM 0 H1CA RCY A 173 75.798 0.073 4.815 1.00 1.00 H new HETATM 0 H1Z RCY A 173 72.629 -0.861 1.268 1.00 1.00 H new HETATM 0 H1Y RCY A 173 73.991 0.466 -0.306 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.666 2.804 1.514 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.825 1.528 4.549 1.00 1.00 H new HETATM 0 H1S RCY A 173 76.135 5.894 4.109 1.00 1.00 H new HETATM 0 H1M RCY A 173 73.633 3.148 2.039 1.00 1.00 H new HETATM 0 H1L RCY A 173 76.131 5.626 6.522 1.00 1.00 H new HETATM 0 H1C RCY A 173 77.255 0.354 3.831 1.00 1.00 H new HETATM 1442 C1C RCY A 176 78.282 0.115 4.046 1.00 1.00 C HETATM 1443 O1G RCY A 176 83.050 0.584 5.721 1.00 1.00 O HETATM 1444 O1H RCY A 176 78.444 1.395 6.373 1.00 1.00 O HETATM 1445 O1J RCY A 176 80.178 0.482 1.735 1.00 1.00 O HETATM 1446 C1L RCY A 176 81.796 2.471 6.645 1.00 1.00 C HETATM 1447 C1M RCY A 176 81.503 -1.596 4.673 1.00 1.00 C HETATM 1448 C1P RCY A 176 81.964 1.097 5.984 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.636 1.539 6.104 1.00 1.00 C HETATM 1450 N1R RCY A 176 80.613 0.445 5.692 1.00 1.00 N HETATM 1451 C1S RCY A 176 80.406 2.846 6.121 1.00 1.00 C HETATM 1452 C1U RCY A 176 80.309 -0.946 5.132 1.00 1.00 C HETATM 1453 C1V RCY A 176 78.885 -2.292 3.527 1.00 1.00 C HETATM 1454 N1V RCY A 176 80.416 -0.428 2.852 1.00 1.00 N HETATM 1455 C1W RCY A 176 81.725 -1.115 3.234 1.00 1.00 C HETATM 1456 C1X RCY A 176 79.413 -0.904 3.894 1.00 1.00 C HETATM 1457 C1Y RCY A 176 81.998 -2.302 2.305 1.00 1.00 C HETATM 1458 C1Z RCY A 176 82.864 -0.099 3.157 1.00 1.00 C HETATM 0 H1ZB RCY A 176 82.624 0.764 3.778 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 83.786 -0.558 3.515 1.00 1.00 H new HETATM 0 H1YB RCY A 176 82.890 -2.830 2.642 1.00 1.00 H new HETATM 0 H1YA RCY A 176 81.146 -2.981 2.322 1.00 1.00 H new HETATM 0 H1VA RCY A 176 78.346 -2.238 2.581 1.00 1.00 H new HETATM 0 H1MA RCY A 176 82.353 -1.340 5.305 1.00 1.00 H new HETATM 0 H1LA RCY A 176 81.831 2.418 7.733 1.00 1.00 H new HETATM 0 H1CB RCY A 176 77.666 -0.151 4.905 1.00 1.00 H new HETATM 0 H1CA RCY A 176 78.705 1.108 4.196 1.00 1.00 H new HETATM 0 H1Z RCY A 176 82.996 0.222 2.124 1.00 1.00 H new HETATM 0 H1Y RCY A 176 82.153 -1.940 1.288 1.00 1.00 H new HETATM 0 H1U RCY A 176 79.828 -1.469 5.958 1.00 1.00 H new HETATM 0 H1S RCY A 176 80.463 3.285 5.125 1.00 1.00 H new HETATM 0 H1M RCY A 176 81.395 -2.680 4.709 1.00 1.00 H new HETATM 0 H1L RCY A 176 82.564 3.180 6.335 1.00 1.00 H new HETATM 0 H1C RCY A 176 77.668 0.114 3.145 1.00 1.00 H new HETATM 1461 C1C RCY A 187 78.462 -3.540 4.085 1.00 1.00 C HETATM 1462 O1G RCY A 187 73.309 -4.326 3.548 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.006 -5.046 6.397 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.103 -3.287 1.154 1.00 1.00 O HETATM 1465 C1L RCY A 187 73.537 -4.536 5.975 1.00 1.00 C HETATM 1466 C1M RCY A 187 75.694 -4.828 1.994 1.00 1.00 C HETATM 1467 C1P RCY A 187 74.031 -4.530 4.523 1.00 1.00 C HETATM 1468 C1Q RCY A 187 75.885 -5.093 5.892 1.00 1.00 C HETATM 1469 N1R RCY A 187 75.531 -4.808 4.438 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.595 -5.447 6.608 1.00 1.00 C HETATM 1471 C1U RCY A 187 76.449 -4.805 3.214 1.00 1.00 C HETATM 1472 C1V RCY A 187 76.430 -2.273 3.252 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.792 -3.662 1.675 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.622 -4.273 0.906 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.287 -3.532 3.105 1.00 1.00 C HETATM 1476 C1Y RCY A 187 75.904 -3.200 0.082 1.00 1.00 C HETATM 1477 C1Z RCY A 187 77.145 -5.388 0.001 1.00 1.00 C HETATM 0 H1ZB RCY A 187 77.703 -6.109 0.598 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 76.306 -5.889 -0.482 1.00 1.00 H new HETATM 0 H1YA RCY A 187 75.598 -2.383 0.736 1.00 1.00 H new HETATM 0 H1VB RCY A 187 76.030 -2.221 4.265 1.00 1.00 H new HETATM 0 H1VA RCY A 187 77.042 -1.392 3.058 1.00 1.00 H new HETATM 0 H1LA RCY A 187 73.526 -3.539 6.416 1.00 1.00 H new HETATM 0 H1CB RCY A 187 78.085 -3.615 5.105 1.00 1.00 H new HETATM 0 H1CA RCY A 187 79.107 -4.393 3.873 1.00 1.00 H new HETATM 0 H1Z RCY A 187 77.800 -4.962 -0.760 1.00 1.00 H new HETATM 0 H1V RCY A 187 75.607 -2.308 2.538 1.00 1.00 H new HETATM 0 H1S RCY A 187 74.343 -6.499 6.474 1.00 1.00 H new HETATM 0 H1L RCY A 187 72.528 -4.938 6.071 1.00 1.00 H new