USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=17 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 29 LYS H : A 29 LYS N : A 130 RCY C1U :(H bumps) USER MOD NoAdj-H: A 30 CYS H : A 30 CYS N : A 130 RCY O1H :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VB : A 130 RCY C1V : A 28 PRO C :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 28 PRO CA :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 28 PRO C :(H bumps) USER MOD NoAdj-H: A 130 RCY H1U : A 130 RCY C1U : A 29 LYS N :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZB : A 138 RCY C1Z : A 150 RCY C1X :(H bumps) USER MOD NoAdj-H: A 138 RCYH1ZA : A 138 RCY C1Z : A 150 RCY O1G :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 150 RCY C1Z :(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 RCYH1MA : A 138 RCY C1M : A 150 RCY N1R :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Z : A 138 RCY C1Z : A 150 RCY N1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1ZB : A 150 RCY C1Z : A 138 RCY C1Y :(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 RCYH1MA : A 150 RCY C1M : A 138 RCY C1U :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 138 RCY O1G :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 138 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 138 RCY N1R :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 138 RCY N1R :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZB : A 160 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1ZA : A 160 RCY C1Z : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCY H1Y : A 160 RCY C1Y : A 168 RCY C1C :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CB : A 168 RCY C1C : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 168 RCY H1C : A 168 RCY C1C : A 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Z : A 173 RCY C1Z : A 176 RCY C1L :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY O1G :(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 H1L : A 176 RCY C1L : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 160 RCY C1Z :(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 RCY H1Z : A 187 RCY C1Z : A 150 RCY O1J :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 160 RCY C1Z :(H bumps) USER MOD Set 1.1: A 44 LYS NZ :NH3+ 166:sc= 0.0806 (180deg=-0.288) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.0191 K(o=0.061,f=-0.85) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.491 (180deg=-1.2) USER MOD Single : A 2 ASN : amide:sc= -0.529 K(o=-0.53,f=-2.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -56:sc= -18.1! USER MOD Single : A 14 THR OG1 : rot 142:sc= 0.137! USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 39:sc= 0.469 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= -1.96 (180deg=-4.68!) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -2.72! (180deg=-3.69!) USER MOD Single : A 32 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 34 GLN : amide:sc=-0.00439 X(o=-0.0044,f=0) USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.851 USER MOD Single : A 37 GLN : amide:sc= -1.03 K(o=-1,f=-2.3) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -1.71! (180deg=-2.24!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -1.73 (180deg=-1.85!) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -1.65 (180deg=-1.98) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 156:sc= 0 (180deg=-1.07) USER MOD Single : A 62 THR OG1 : rot -72:sc= -1.02 USER MOD Single : A 65 THR OG1 : rot -57:sc= 0.808 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.117 F(o=-0.62,f=-0.12) USER MOD Single : A 75 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.64) USER MOD Single : A 79 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.014) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 67.491 0.572 -21.460 1.00 1.00 N ATOM 2 CA MET A 1 67.205 -0.735 -20.805 1.00 1.00 C ATOM 3 C MET A 1 65.959 -0.603 -19.926 1.00 1.00 C ATOM 4 O MET A 1 65.630 -1.488 -19.161 1.00 1.00 O ATOM 5 CB MET A 1 68.398 -1.143 -19.939 1.00 1.00 C ATOM 6 CG MET A 1 68.598 -0.112 -18.826 1.00 1.00 C ATOM 7 SD MET A 1 70.212 -0.370 -18.049 1.00 1.00 S ATOM 8 CE MET A 1 70.776 1.349 -18.123 1.00 1.00 C ATOM 0 H1 MET A 1 68.479 0.588 -21.786 1.00 1.00 H new ATOM 0 H2 MET A 1 66.856 0.699 -22.274 1.00 1.00 H new ATOM 0 H3 MET A 1 67.339 1.343 -20.778 1.00 1.00 H new ATOM 0 HA MET A 1 67.033 -1.494 -21.568 1.00 1.00 H new ATOM 0 HB2 MET A 1 68.228 -2.130 -19.509 1.00 1.00 H new ATOM 0 HB3 MET A 1 69.298 -1.213 -20.550 1.00 1.00 H new ATOM 0 HG2 MET A 1 68.536 0.897 -19.234 1.00 1.00 H new ATOM 0 HG3 MET A 1 67.806 -0.204 -18.083 1.00 1.00 H new ATOM 0 HE1 MET A 1 71.773 1.424 -17.688 1.00 1.00 H new ATOM 0 HE2 MET A 1 70.808 1.677 -19.162 1.00 1.00 H new ATOM 0 HE3 MET A 1 70.087 1.982 -17.564 1.00 1.00 H new ATOM 17 N ASN A 2 65.263 0.496 -20.029 1.00 1.00 N ATOM 18 CA ASN A 2 64.040 0.684 -19.199 1.00 1.00 C ATOM 19 C ASN A 2 63.145 -0.551 -19.320 1.00 1.00 C ATOM 20 O ASN A 2 62.570 -0.813 -20.358 1.00 1.00 O ATOM 21 CB ASN A 2 63.277 1.917 -19.688 1.00 1.00 C ATOM 22 CG ASN A 2 62.231 2.317 -18.646 1.00 1.00 C ATOM 23 OD1 ASN A 2 61.474 1.489 -18.180 1.00 1.00 O ATOM 24 ND2 ASN A 2 62.155 3.561 -18.259 1.00 1.00 N ATOM 0 H ASN A 2 65.488 1.272 -20.652 1.00 1.00 H new ATOM 0 HA ASN A 2 64.327 0.823 -18.157 1.00 1.00 H new ATOM 0 HB2 ASN A 2 63.969 2.742 -19.859 1.00 1.00 H new ATOM 0 HB3 ASN A 2 62.793 1.704 -20.641 1.00 1.00 H new ATOM 0 HD21 ASN A 2 61.460 3.838 -17.565 1.00 1.00 H new ATOM 0 HD22 ASN A 2 62.790 4.256 -18.650 1.00 1.00 H new ATOM 31 N LEU A 3 63.021 -1.312 -18.267 1.00 1.00 N ATOM 32 CA LEU A 3 62.162 -2.529 -18.321 1.00 1.00 C ATOM 33 C LEU A 3 60.711 -2.137 -18.037 1.00 1.00 C ATOM 34 O LEU A 3 60.375 -0.971 -17.974 1.00 1.00 O ATOM 35 CB LEU A 3 62.631 -3.539 -17.267 1.00 1.00 C ATOM 36 CG LEU A 3 64.040 -4.027 -17.609 1.00 1.00 C ATOM 37 CD1 LEU A 3 65.071 -3.166 -16.877 1.00 1.00 C ATOM 38 CD2 LEU A 3 64.193 -5.485 -17.173 1.00 1.00 C ATOM 0 H LEU A 3 63.478 -1.143 -17.371 1.00 1.00 H new ATOM 0 HA LEU A 3 62.234 -2.980 -19.311 1.00 1.00 H new ATOM 0 HB2 LEU A 3 62.626 -3.077 -16.280 1.00 1.00 H new ATOM 0 HB3 LEU A 3 61.943 -4.384 -17.228 1.00 1.00 H new ATOM 0 HG LEU A 3 64.200 -3.949 -18.684 1.00 1.00 H new ATOM 0 HD11 LEU A 3 66.075 -3.514 -17.121 1.00 1.00 H new ATOM 0 HD12 LEU A 3 64.962 -2.126 -17.186 1.00 1.00 H new ATOM 0 HD13 LEU A 3 64.912 -3.243 -15.801 1.00 1.00 H new ATOM 0 HD21 LEU A 3 65.197 -5.834 -17.416 1.00 1.00 H new ATOM 0 HD22 LEU A 3 64.033 -5.562 -16.098 1.00 1.00 H new ATOM 0 HD23 LEU A 3 63.459 -6.100 -17.694 1.00 1.00 H new ATOM 50 N GLU A 4 59.848 -3.100 -17.863 1.00 1.00 N ATOM 51 CA GLU A 4 58.421 -2.777 -17.581 1.00 1.00 C ATOM 52 C GLU A 4 58.296 -2.263 -16.141 1.00 1.00 C ATOM 53 O GLU A 4 58.840 -2.848 -15.225 1.00 1.00 O ATOM 54 CB GLU A 4 57.573 -4.041 -17.745 1.00 1.00 C ATOM 55 CG GLU A 4 57.725 -4.577 -19.170 1.00 1.00 C ATOM 56 CD GLU A 4 59.110 -5.204 -19.335 1.00 1.00 C ATOM 57 OE1 GLU A 4 59.672 -5.624 -18.337 1.00 1.00 O ATOM 58 OE2 GLU A 4 59.587 -5.253 -20.457 1.00 1.00 O ATOM 0 H GLU A 4 60.069 -4.095 -17.904 1.00 1.00 H new ATOM 0 HA GLU A 4 58.073 -2.012 -18.275 1.00 1.00 H new ATOM 0 HB2 GLU A 4 57.886 -4.797 -17.025 1.00 1.00 H new ATOM 0 HB3 GLU A 4 56.526 -3.819 -17.539 1.00 1.00 H new ATOM 0 HG2 GLU A 4 56.952 -5.318 -19.375 1.00 1.00 H new ATOM 0 HG3 GLU A 4 57.592 -3.769 -19.890 1.00 1.00 H new ATOM 65 N PRO A 5 57.588 -1.178 -15.932 1.00 1.00 N ATOM 66 CA PRO A 5 57.403 -0.597 -14.572 1.00 1.00 C ATOM 67 C PRO A 5 57.163 -1.678 -13.507 1.00 1.00 C ATOM 68 O PRO A 5 56.569 -2.701 -13.781 1.00 1.00 O ATOM 69 CB PRO A 5 56.166 0.286 -14.731 1.00 1.00 C ATOM 70 CG PRO A 5 56.178 0.714 -16.163 1.00 1.00 C ATOM 71 CD PRO A 5 56.886 -0.389 -16.958 1.00 1.00 C ATOM 0 HA PRO A 5 58.286 -0.056 -14.233 1.00 1.00 H new ATOM 0 HB2 PRO A 5 55.256 -0.263 -14.491 1.00 1.00 H new ATOM 0 HB3 PRO A 5 56.206 1.145 -14.062 1.00 1.00 H new ATOM 0 HG2 PRO A 5 55.162 0.861 -16.529 1.00 1.00 H new ATOM 0 HG3 PRO A 5 56.699 1.665 -16.276 1.00 1.00 H new ATOM 0 HD2 PRO A 5 56.174 -1.000 -17.513 1.00 1.00 H new ATOM 0 HD3 PRO A 5 57.582 0.028 -17.685 1.00 1.00 H new ATOM 79 N PRO A 6 57.618 -1.451 -12.299 1.00 1.00 N ATOM 80 CA PRO A 6 57.443 -2.423 -11.179 1.00 1.00 C ATOM 81 C PRO A 6 55.998 -2.460 -10.669 1.00 1.00 C ATOM 82 O PRO A 6 55.290 -1.473 -10.711 1.00 1.00 O ATOM 83 CB PRO A 6 58.384 -1.893 -10.092 1.00 1.00 C ATOM 84 CG PRO A 6 58.489 -0.427 -10.354 1.00 1.00 C ATOM 85 CD PRO A 6 58.344 -0.245 -11.867 1.00 1.00 C ATOM 0 HA PRO A 6 57.665 -3.445 -11.486 1.00 1.00 H new ATOM 0 HB2 PRO A 6 57.987 -2.089 -9.096 1.00 1.00 H new ATOM 0 HB3 PRO A 6 59.360 -2.375 -10.146 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.711 0.119 -9.821 1.00 1.00 H new ATOM 0 HG3 PRO A 6 59.446 -0.038 -10.006 1.00 1.00 H new ATOM 0 HD2 PRO A 6 57.791 0.663 -12.109 1.00 1.00 H new ATOM 0 HD3 PRO A 6 59.315 -0.167 -12.355 1.00 1.00 H new ATOM 93 N LYS A 7 55.554 -3.590 -10.187 1.00 1.00 N ATOM 94 CA LYS A 7 54.157 -3.682 -9.677 1.00 1.00 C ATOM 95 C LYS A 7 53.967 -5.007 -8.934 1.00 1.00 C ATOM 96 O LYS A 7 54.552 -6.014 -9.281 1.00 1.00 O ATOM 97 CB LYS A 7 53.180 -3.613 -10.855 1.00 1.00 C ATOM 98 CG LYS A 7 51.746 -3.508 -10.332 1.00 1.00 C ATOM 99 CD LYS A 7 50.964 -2.506 -11.184 1.00 1.00 C ATOM 100 CE LYS A 7 51.278 -1.084 -10.717 1.00 1.00 C ATOM 101 NZ LYS A 7 51.001 -0.125 -11.824 1.00 1.00 N ATOM 0 H LYS A 7 56.097 -4.451 -10.125 1.00 1.00 H new ATOM 0 HA LYS A 7 53.965 -2.854 -8.994 1.00 1.00 H new ATOM 0 HB2 LYS A 7 53.412 -2.752 -11.482 1.00 1.00 H new ATOM 0 HB3 LYS A 7 53.285 -4.500 -11.479 1.00 1.00 H new ATOM 0 HG2 LYS A 7 51.263 -4.485 -10.365 1.00 1.00 H new ATOM 0 HG3 LYS A 7 51.750 -3.190 -9.289 1.00 1.00 H new ATOM 0 HD2 LYS A 7 51.229 -2.622 -12.235 1.00 1.00 H new ATOM 0 HD3 LYS A 7 49.894 -2.699 -11.102 1.00 1.00 H new ATOM 0 HE2 LYS A 7 50.673 -0.834 -9.845 1.00 1.00 H new ATOM 0 HE3 LYS A 7 52.322 -1.012 -10.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 51.214 0.842 -11.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 51.596 -0.360 -12.644 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 49.999 -0.187 -12.095 1.00 1.00 H new ATOM 115 N ALA A 8 53.152 -5.013 -7.914 1.00 1.00 N ATOM 116 CA ALA A 8 52.921 -6.270 -7.147 1.00 1.00 C ATOM 117 C ALA A 8 51.948 -5.991 -5.998 1.00 1.00 C ATOM 118 O ALA A 8 50.765 -5.806 -6.206 1.00 1.00 O ATOM 119 CB ALA A 8 54.251 -6.778 -6.583 1.00 1.00 C ATOM 0 H ALA A 8 52.635 -4.200 -7.578 1.00 1.00 H new ATOM 0 HA ALA A 8 52.497 -7.027 -7.806 1.00 1.00 H new ATOM 0 HB1 ALA A 8 54.081 -7.697 -6.022 1.00 1.00 H new ATOM 0 HB2 ALA A 8 54.942 -6.975 -7.402 1.00 1.00 H new ATOM 0 HB3 ALA A 8 54.678 -6.024 -5.922 1.00 1.00 H new ATOM 125 N GLU A 9 52.438 -5.958 -4.787 1.00 1.00 N ATOM 126 CA GLU A 9 51.545 -5.689 -3.621 1.00 1.00 C ATOM 127 C GLU A 9 52.279 -4.795 -2.619 1.00 1.00 C ATOM 128 O GLU A 9 53.393 -5.076 -2.223 1.00 1.00 O ATOM 129 CB GLU A 9 51.173 -7.012 -2.944 1.00 1.00 C ATOM 130 CG GLU A 9 50.275 -7.829 -3.875 1.00 1.00 C ATOM 131 CD GLU A 9 51.134 -8.522 -4.935 1.00 1.00 C ATOM 132 OE1 GLU A 9 52.105 -9.157 -4.559 1.00 1.00 O ATOM 133 OE2 GLU A 9 50.805 -8.405 -6.104 1.00 1.00 O ATOM 0 H GLU A 9 53.420 -6.106 -4.554 1.00 1.00 H new ATOM 0 HA GLU A 9 50.639 -5.190 -3.964 1.00 1.00 H new ATOM 0 HB2 GLU A 9 52.075 -7.576 -2.704 1.00 1.00 H new ATOM 0 HB3 GLU A 9 50.658 -6.819 -2.003 1.00 1.00 H new ATOM 0 HG2 GLU A 9 49.718 -8.570 -3.302 1.00 1.00 H new ATOM 0 HG3 GLU A 9 49.542 -7.179 -4.353 1.00 1.00 H new ATOM 140 N CYS A 10 51.666 -3.719 -2.206 1.00 1.00 N ATOM 141 CA CYS A 10 52.332 -2.808 -1.232 1.00 1.00 C ATOM 142 C CYS A 10 51.271 -2.061 -0.421 1.00 1.00 C ATOM 143 O CYS A 10 50.097 -2.101 -0.731 1.00 1.00 O ATOM 144 CB CYS A 10 53.201 -1.801 -1.988 1.00 1.00 C ATOM 145 SG CYS A 10 54.417 -1.081 -0.857 1.00 1.00 S ATOM 0 H CYS A 10 50.733 -3.431 -2.501 1.00 1.00 H new ATOM 0 HA CYS A 10 52.957 -3.393 -0.557 1.00 1.00 H new ATOM 0 HB2 CYS A 10 53.708 -2.293 -2.818 1.00 1.00 H new ATOM 0 HB3 CYS A 10 52.577 -1.016 -2.416 1.00 1.00 H new ATOM 150 N ARG A 11 51.675 -1.378 0.616 1.00 1.00 N ATOM 151 CA ARG A 11 50.689 -0.629 1.447 1.00 1.00 C ATOM 152 C ARG A 11 51.437 0.260 2.445 1.00 1.00 C ATOM 153 O ARG A 11 50.839 0.927 3.267 1.00 1.00 O ATOM 154 CB ARG A 11 49.803 -1.623 2.205 1.00 1.00 C ATOM 155 CG ARG A 11 48.498 -0.937 2.614 1.00 1.00 C ATOM 156 CD ARG A 11 47.757 -1.811 3.628 1.00 1.00 C ATOM 157 NE ARG A 11 48.226 -1.482 5.003 1.00 1.00 N ATOM 158 CZ ARG A 11 47.808 -0.396 5.593 1.00 1.00 C ATOM 159 NH1 ARG A 11 46.980 0.403 4.977 1.00 1.00 N ATOM 160 NH2 ARG A 11 48.219 -0.107 6.797 1.00 1.00 N ATOM 0 H ARG A 11 52.645 -1.306 0.924 1.00 1.00 H new ATOM 0 HA ARG A 11 50.066 -0.007 0.805 1.00 1.00 H new ATOM 0 HB2 ARG A 11 49.590 -2.488 1.577 1.00 1.00 H new ATOM 0 HB3 ARG A 11 50.325 -1.991 3.088 1.00 1.00 H new ATOM 0 HG2 ARG A 11 48.709 0.041 3.047 1.00 1.00 H new ATOM 0 HG3 ARG A 11 47.873 -0.769 1.737 1.00 1.00 H new ATOM 0 HD2 ARG A 11 46.682 -1.646 3.550 1.00 1.00 H new ATOM 0 HD3 ARG A 11 47.934 -2.865 3.414 1.00 1.00 H new ATOM 0 HE ARG A 11 48.874 -2.106 5.483 1.00 1.00 H new ATOM 0 HH11 ARG A 11 46.660 0.178 4.035 1.00 1.00 H new ATOM 0 HH12 ARG A 11 46.653 1.252 5.438 1.00 1.00 H new ATOM 0 HH21 ARG A 11 48.868 -0.730 7.278 1.00 1.00 H new ATOM 0 HH22 ARG A 11 47.892 0.742 7.257 1.00 1.00 H new ATOM 174 N SER A 12 52.741 0.275 2.382 1.00 1.00 N ATOM 175 CA SER A 12 53.526 1.119 3.329 1.00 1.00 C ATOM 176 C SER A 12 53.804 2.482 2.692 1.00 1.00 C ATOM 177 O SER A 12 53.778 3.502 3.352 1.00 1.00 O ATOM 178 CB SER A 12 54.853 0.427 3.646 1.00 1.00 C ATOM 179 OG SER A 12 54.611 -0.944 3.932 1.00 1.00 O ATOM 0 H SER A 12 53.297 -0.261 1.716 1.00 1.00 H new ATOM 0 HA SER A 12 52.957 1.258 4.248 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.535 0.519 2.801 1.00 1.00 H new ATOM 0 HB3 SER A 12 55.333 0.909 4.498 1.00 1.00 H new ATOM 0 HG SER A 12 53.963 -1.016 4.663 1.00 1.00 H new ATOM 185 N ALA A 13 54.073 2.508 1.414 1.00 1.00 N ATOM 186 CA ALA A 13 54.356 3.805 0.735 1.00 1.00 C ATOM 187 C ALA A 13 55.477 4.537 1.477 1.00 1.00 C ATOM 188 O ALA A 13 56.636 4.427 1.131 1.00 1.00 O ATOM 189 CB ALA A 13 53.093 4.670 0.732 1.00 1.00 C ATOM 0 H ALA A 13 54.109 1.686 0.811 1.00 1.00 H new ATOM 0 HA ALA A 13 54.665 3.615 -0.293 1.00 1.00 H new ATOM 0 HB1 ALA A 13 53.302 5.617 0.235 1.00 1.00 H new ATOM 0 HB2 ALA A 13 52.297 4.149 0.200 1.00 1.00 H new ATOM 0 HB3 ALA A 13 52.780 4.860 1.759 1.00 1.00 H new ATOM 195 N THR A 14 55.142 5.282 2.496 1.00 1.00 N ATOM 196 CA THR A 14 56.190 6.018 3.259 1.00 1.00 C ATOM 197 C THR A 14 56.641 5.166 4.447 1.00 1.00 C ATOM 198 O THR A 14 57.481 4.298 4.318 1.00 1.00 O ATOM 199 CB THR A 14 55.613 7.340 3.772 1.00 1.00 C ATOM 200 OG1 THR A 14 54.503 7.073 4.618 1.00 1.00 O ATOM 201 CG2 THR A 14 55.161 8.196 2.587 1.00 1.00 C ATOM 0 H THR A 14 54.188 5.412 2.833 1.00 1.00 H new ATOM 0 HA THR A 14 57.041 6.221 2.609 1.00 1.00 H new ATOM 0 HB THR A 14 56.377 7.877 4.334 1.00 1.00 H new ATOM 0 HG1 THR A 14 54.505 7.702 5.369 1.00 1.00 H new ATOM 0 HG21 THR A 14 54.750 9.137 2.953 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.014 8.400 1.939 1.00 1.00 H new ATOM 0 HG23 THR A 14 54.396 7.662 2.023 1.00 1.00 H new ATOM 209 N ARG A 15 56.086 5.406 5.602 1.00 1.00 N ATOM 210 CA ARG A 15 56.478 4.611 6.798 1.00 1.00 C ATOM 211 C ARG A 15 58.003 4.590 6.924 1.00 1.00 C ATOM 212 O ARG A 15 58.662 3.713 6.407 1.00 1.00 O ATOM 213 CB ARG A 15 55.958 3.177 6.652 1.00 1.00 C ATOM 214 CG ARG A 15 56.276 2.381 7.919 1.00 1.00 C ATOM 215 CD ARG A 15 57.194 1.208 7.568 1.00 1.00 C ATOM 216 NE ARG A 15 57.587 0.495 8.816 1.00 1.00 N ATOM 217 CZ ARG A 15 58.685 -0.211 8.846 1.00 1.00 C ATOM 218 NH1 ARG A 15 59.437 -0.292 7.783 1.00 1.00 N ATOM 219 NH2 ARG A 15 59.029 -0.836 9.939 1.00 1.00 N ATOM 0 H ARG A 15 55.377 6.120 5.769 1.00 1.00 H new ATOM 0 HA ARG A 15 56.047 5.065 7.690 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.882 3.186 6.477 1.00 1.00 H new ATOM 0 HB3 ARG A 15 56.417 2.700 5.786 1.00 1.00 H new ATOM 0 HG2 ARG A 15 56.757 3.025 8.655 1.00 1.00 H new ATOM 0 HG3 ARG A 15 55.355 2.013 8.371 1.00 1.00 H new ATOM 0 HD2 ARG A 15 56.684 0.523 6.890 1.00 1.00 H new ATOM 0 HD3 ARG A 15 58.081 1.569 7.048 1.00 1.00 H new ATOM 0 HE ARG A 15 56.998 0.558 9.647 1.00 1.00 H new ATOM 0 HH11 ARG A 15 59.167 0.196 6.929 1.00 1.00 H new ATOM 0 HH12 ARG A 15 60.295 -0.843 7.806 1.00 1.00 H new ATOM 0 HH21 ARG A 15 58.440 -0.773 10.769 1.00 1.00 H new ATOM 0 HH22 ARG A 15 59.887 -1.388 9.963 1.00 1.00 H new ATOM 233 N VAL A 16 58.560 5.553 7.612 1.00 1.00 N ATOM 234 CA VAL A 16 60.044 5.614 7.795 1.00 1.00 C ATOM 235 C VAL A 16 60.412 7.029 8.263 1.00 1.00 C ATOM 236 O VAL A 16 60.882 7.220 9.368 1.00 1.00 O ATOM 237 CB VAL A 16 60.760 5.261 6.467 1.00 1.00 C ATOM 238 CG1 VAL A 16 61.953 6.196 6.265 1.00 1.00 C ATOM 239 CG2 VAL A 16 61.253 3.814 6.525 1.00 1.00 C ATOM 0 H VAL A 16 58.044 6.310 8.061 1.00 1.00 H new ATOM 0 HA VAL A 16 60.366 4.889 8.543 1.00 1.00 H new ATOM 0 HB VAL A 16 60.063 5.377 5.637 1.00 1.00 H new ATOM 0 HG11 VAL A 16 62.456 5.947 5.331 1.00 1.00 H new ATOM 0 HG12 VAL A 16 61.604 7.228 6.226 1.00 1.00 H new ATOM 0 HG13 VAL A 16 62.650 6.080 7.095 1.00 1.00 H new ATOM 0 HG21 VAL A 16 61.757 3.564 5.592 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.950 3.700 7.355 1.00 1.00 H new ATOM 0 HG23 VAL A 16 60.404 3.146 6.669 1.00 1.00 H new ATOM 249 N MET A 17 60.189 8.022 7.443 1.00 1.00 N ATOM 250 CA MET A 17 60.515 9.420 7.856 1.00 1.00 C ATOM 251 C MET A 17 60.030 10.401 6.785 1.00 1.00 C ATOM 252 O MET A 17 59.985 11.596 7.000 1.00 1.00 O ATOM 253 CB MET A 17 62.032 9.576 8.043 1.00 1.00 C ATOM 254 CG MET A 17 62.741 9.395 6.699 1.00 1.00 C ATOM 255 SD MET A 17 63.871 10.782 6.422 1.00 1.00 S ATOM 256 CE MET A 17 65.410 9.890 6.755 1.00 1.00 C ATOM 0 H MET A 17 59.796 7.926 6.507 1.00 1.00 H new ATOM 0 HA MET A 17 60.015 9.634 8.800 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.258 10.560 8.454 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.397 8.840 8.759 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.293 8.455 6.690 1.00 1.00 H new ATOM 0 HG3 MET A 17 62.009 9.342 5.893 1.00 1.00 H new ATOM 0 HE1 MET A 17 66.256 10.568 6.640 1.00 1.00 H new ATOM 0 HE2 MET A 17 65.392 9.502 7.773 1.00 1.00 H new ATOM 0 HE3 MET A 17 65.510 9.062 6.053 1.00 1.00 H new ATOM 266 N GLY A 18 59.671 9.906 5.631 1.00 1.00 N ATOM 267 CA GLY A 18 59.195 10.810 4.544 1.00 1.00 C ATOM 268 C GLY A 18 60.358 11.128 3.602 1.00 1.00 C ATOM 269 O GLY A 18 61.260 10.333 3.426 1.00 1.00 O ATOM 0 H GLY A 18 59.687 8.914 5.394 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.384 10.336 3.991 1.00 1.00 H new ATOM 0 HA3 GLY A 18 58.796 11.730 4.970 1.00 1.00 H new ATOM 273 N GLY A 19 60.348 12.283 2.995 1.00 1.00 N ATOM 274 CA GLY A 19 61.457 12.641 2.067 1.00 1.00 C ATOM 275 C GLY A 19 61.320 11.829 0.773 1.00 1.00 C ATOM 276 O GLY A 19 61.673 10.667 0.730 1.00 1.00 O ATOM 0 H GLY A 19 59.622 12.992 3.101 1.00 1.00 H new ATOM 0 HA2 GLY A 19 61.430 13.708 1.845 1.00 1.00 H new ATOM 0 HA3 GLY A 19 62.419 12.438 2.537 1.00 1.00 H new ATOM 280 N PRO A 20 60.808 12.426 -0.275 1.00 1.00 N ATOM 281 CA PRO A 20 60.625 11.729 -1.582 1.00 1.00 C ATOM 282 C PRO A 20 61.877 10.954 -2.007 1.00 1.00 C ATOM 283 O PRO A 20 62.933 11.098 -1.425 1.00 1.00 O ATOM 284 CB PRO A 20 60.340 12.870 -2.561 1.00 1.00 C ATOM 285 CG PRO A 20 59.730 13.949 -1.728 1.00 1.00 C ATOM 286 CD PRO A 20 60.346 13.823 -0.332 1.00 1.00 C ATOM 0 HA PRO A 20 59.831 10.984 -1.538 1.00 1.00 H new ATOM 0 HB2 PRO A 20 61.255 13.214 -3.044 1.00 1.00 H new ATOM 0 HB3 PRO A 20 59.662 12.551 -3.353 1.00 1.00 H new ATOM 0 HG2 PRO A 20 59.935 14.931 -2.155 1.00 1.00 H new ATOM 0 HG3 PRO A 20 58.646 13.840 -1.685 1.00 1.00 H new ATOM 0 HD2 PRO A 20 61.170 14.523 -0.194 1.00 1.00 H new ATOM 0 HD3 PRO A 20 59.615 14.034 0.448 1.00 1.00 H new ATOM 294 N CYS A 21 61.763 10.138 -3.022 1.00 1.00 N ATOM 295 CA CYS A 21 62.941 9.355 -3.496 1.00 1.00 C ATOM 296 C CYS A 21 63.157 9.620 -4.988 1.00 1.00 C ATOM 297 O CYS A 21 62.520 9.025 -5.834 1.00 1.00 O ATOM 298 CB CYS A 21 62.686 7.861 -3.273 1.00 1.00 C ATOM 299 SG CYS A 21 63.189 7.407 -1.595 1.00 1.00 S ATOM 0 H CYS A 21 60.901 9.980 -3.545 1.00 1.00 H new ATOM 0 HA CYS A 21 63.828 9.657 -2.939 1.00 1.00 H new ATOM 0 HB2 CYS A 21 61.630 7.635 -3.421 1.00 1.00 H new ATOM 0 HB3 CYS A 21 63.243 7.273 -4.003 1.00 1.00 H new ATOM 304 N THR A 22 64.052 10.514 -5.317 1.00 1.00 N ATOM 305 CA THR A 22 64.311 10.820 -6.753 1.00 1.00 C ATOM 306 C THR A 22 65.474 9.952 -7.256 1.00 1.00 C ATOM 307 O THR A 22 66.554 9.986 -6.699 1.00 1.00 O ATOM 308 CB THR A 22 64.690 12.297 -6.896 1.00 1.00 C ATOM 309 OG1 THR A 22 65.764 12.595 -6.016 1.00 1.00 O ATOM 310 CG2 THR A 22 63.484 13.172 -6.548 1.00 1.00 C ATOM 0 H THR A 22 64.615 11.045 -4.652 1.00 1.00 H new ATOM 0 HA THR A 22 63.415 10.611 -7.338 1.00 1.00 H new ATOM 0 HB THR A 22 64.995 12.497 -7.923 1.00 1.00 H new ATOM 0 HG1 THR A 22 66.391 11.842 -5.999 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.755 14.223 -6.650 1.00 1.00 H new ATOM 0 HG22 THR A 22 62.661 12.942 -7.224 1.00 1.00 H new ATOM 0 HG23 THR A 22 63.176 12.975 -5.521 1.00 1.00 H new ATOM 318 N PRO A 23 65.267 9.182 -8.298 1.00 1.00 N ATOM 319 CA PRO A 23 66.332 8.306 -8.864 1.00 1.00 C ATOM 320 C PRO A 23 67.680 9.027 -8.973 1.00 1.00 C ATOM 321 O PRO A 23 67.789 10.205 -8.698 1.00 1.00 O ATOM 322 CB PRO A 23 65.802 7.948 -10.254 1.00 1.00 C ATOM 323 CG PRO A 23 64.315 8.021 -10.131 1.00 1.00 C ATOM 324 CD PRO A 23 64.006 9.061 -9.048 1.00 1.00 C ATOM 0 HA PRO A 23 66.523 7.438 -8.232 1.00 1.00 H new ATOM 0 HB2 PRO A 23 66.170 8.644 -11.008 1.00 1.00 H new ATOM 0 HB3 PRO A 23 66.125 6.951 -10.555 1.00 1.00 H new ATOM 0 HG2 PRO A 23 63.863 8.307 -11.081 1.00 1.00 H new ATOM 0 HG3 PRO A 23 63.902 7.049 -9.861 1.00 1.00 H new ATOM 0 HD2 PRO A 23 63.708 10.015 -9.484 1.00 1.00 H new ATOM 0 HD3 PRO A 23 63.189 8.736 -8.404 1.00 1.00 H new ATOM 332 N ARG A 24 68.707 8.328 -9.374 1.00 1.00 N ATOM 333 CA ARG A 24 70.043 8.976 -9.501 1.00 1.00 C ATOM 334 C ARG A 24 69.912 10.245 -10.345 1.00 1.00 C ATOM 335 O ARG A 24 69.006 10.379 -11.144 1.00 1.00 O ATOM 336 CB ARG A 24 71.018 8.007 -10.176 1.00 1.00 C ATOM 337 CG ARG A 24 70.384 7.446 -11.451 1.00 1.00 C ATOM 338 CD ARG A 24 71.317 6.404 -12.070 1.00 1.00 C ATOM 339 NE ARG A 24 72.626 7.039 -12.393 1.00 1.00 N ATOM 340 CZ ARG A 24 72.720 7.866 -13.398 1.00 1.00 C ATOM 341 NH1 ARG A 24 71.667 8.137 -14.121 1.00 1.00 N ATOM 342 NH2 ARG A 24 73.866 8.422 -13.681 1.00 1.00 N ATOM 0 H ARG A 24 68.679 7.338 -9.619 1.00 1.00 H new ATOM 0 HA ARG A 24 70.420 9.235 -8.512 1.00 1.00 H new ATOM 0 HB2 ARG A 24 71.949 8.520 -10.416 1.00 1.00 H new ATOM 0 HB3 ARG A 24 71.269 7.194 -9.495 1.00 1.00 H new ATOM 0 HG2 ARG A 24 69.419 6.994 -11.221 1.00 1.00 H new ATOM 0 HG3 ARG A 24 70.198 8.251 -12.162 1.00 1.00 H new ATOM 0 HD2 ARG A 24 71.464 5.575 -11.378 1.00 1.00 H new ATOM 0 HD3 ARG A 24 70.869 5.990 -12.973 1.00 1.00 H new ATOM 0 HE ARG A 24 73.449 6.827 -11.828 1.00 1.00 H new ATOM 0 HH11 ARG A 24 70.771 7.702 -13.900 1.00 1.00 H new ATOM 0 HH12 ARG A 24 71.740 8.783 -14.907 1.00 1.00 H new ATOM 0 HH21 ARG A 24 74.689 8.210 -13.117 1.00 1.00 H new ATOM 0 HH22 ARG A 24 73.939 9.068 -14.467 1.00 1.00 H new ATOM 356 N LYS A 25 70.808 11.181 -10.173 1.00 1.00 N ATOM 357 CA LYS A 25 70.733 12.446 -10.963 1.00 1.00 C ATOM 358 C LYS A 25 72.140 12.862 -11.399 1.00 1.00 C ATOM 359 O LYS A 25 72.324 13.452 -12.445 1.00 1.00 O ATOM 360 CB LYS A 25 70.115 13.553 -10.101 1.00 1.00 C ATOM 361 CG LYS A 25 70.937 13.734 -8.824 1.00 1.00 C ATOM 362 CD LYS A 25 71.856 14.948 -8.975 1.00 1.00 C ATOM 363 CE LYS A 25 71.081 16.221 -8.631 1.00 1.00 C ATOM 364 NZ LYS A 25 71.878 17.413 -9.038 1.00 1.00 N ATOM 0 H LYS A 25 71.589 11.124 -9.519 1.00 1.00 H new ATOM 0 HA LYS A 25 70.113 12.285 -11.845 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.084 14.488 -10.660 1.00 1.00 H new ATOM 0 HB3 LYS A 25 69.086 13.298 -9.849 1.00 1.00 H new ATOM 0 HG2 LYS A 25 70.275 13.870 -7.969 1.00 1.00 H new ATOM 0 HG3 LYS A 25 71.528 12.839 -8.630 1.00 1.00 H new ATOM 0 HD2 LYS A 25 72.720 14.847 -8.318 1.00 1.00 H new ATOM 0 HD3 LYS A 25 72.236 15.005 -9.995 1.00 1.00 H new ATOM 0 HE2 LYS A 25 70.118 16.222 -9.142 1.00 1.00 H new ATOM 0 HE3 LYS A 25 70.875 16.256 -7.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.352 18.279 -8.804 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 72.786 17.413 -8.531 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 72.053 17.380 -10.063 1.00 1.00 H new ATOM 378 N GLY A 26 73.135 12.561 -10.608 1.00 1.00 N ATOM 379 CA GLY A 26 74.527 12.943 -10.985 1.00 1.00 C ATOM 380 C GLY A 26 75.201 11.769 -11.709 1.00 1.00 C ATOM 381 O GLY A 26 74.999 10.624 -11.354 1.00 1.00 O ATOM 0 H GLY A 26 73.045 12.068 -9.719 1.00 1.00 H new ATOM 0 HA2 GLY A 26 74.512 13.822 -11.630 1.00 1.00 H new ATOM 0 HA3 GLY A 26 75.096 13.210 -10.095 1.00 1.00 H new ATOM 385 N PRO A 27 75.999 12.043 -12.713 1.00 1.00 N ATOM 386 CA PRO A 27 76.709 10.979 -13.482 1.00 1.00 C ATOM 387 C PRO A 27 77.385 9.957 -12.557 1.00 1.00 C ATOM 388 O PRO A 27 77.642 10.236 -11.403 1.00 1.00 O ATOM 389 CB PRO A 27 77.760 11.751 -14.285 1.00 1.00 C ATOM 390 CG PRO A 27 77.203 13.128 -14.440 1.00 1.00 C ATOM 391 CD PRO A 27 76.311 13.388 -13.222 1.00 1.00 C ATOM 0 HA PRO A 27 76.026 10.401 -14.104 1.00 1.00 H new ATOM 0 HB2 PRO A 27 78.717 11.770 -13.764 1.00 1.00 H new ATOM 0 HB3 PRO A 27 77.934 11.285 -15.255 1.00 1.00 H new ATOM 0 HG2 PRO A 27 78.005 13.865 -14.496 1.00 1.00 H new ATOM 0 HG3 PRO A 27 76.629 13.211 -15.363 1.00 1.00 H new ATOM 0 HD2 PRO A 27 76.825 13.989 -12.472 1.00 1.00 H new ATOM 0 HD3 PRO A 27 75.406 13.930 -13.499 1.00 1.00 H new ATOM 399 N PRO A 28 77.675 8.783 -13.059 1.00 1.00 N ATOM 400 CA PRO A 28 78.336 7.713 -12.261 1.00 1.00 C ATOM 401 C PRO A 28 79.464 8.264 -11.381 1.00 1.00 C ATOM 402 O PRO A 28 80.156 9.191 -11.753 1.00 1.00 O ATOM 403 CB PRO A 28 78.894 6.769 -13.327 1.00 1.00 C ATOM 404 CG PRO A 28 77.979 6.923 -14.498 1.00 1.00 C ATOM 405 CD PRO A 28 77.409 8.345 -14.439 1.00 1.00 C ATOM 0 HA PRO A 28 77.646 7.229 -11.569 1.00 1.00 H new ATOM 0 HB2 PRO A 28 79.919 7.032 -13.590 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.910 5.739 -12.972 1.00 1.00 H new ATOM 0 HG2 PRO A 28 78.518 6.762 -15.432 1.00 1.00 H new ATOM 0 HG3 PRO A 28 77.178 6.185 -14.461 1.00 1.00 H new ATOM 0 HD2 PRO A 28 77.893 8.999 -15.165 1.00 1.00 H new ATOM 0 HD3 PRO A 28 76.342 8.356 -14.662 1.00 1.00 H new ATOM 413 N LYS A 29 79.654 7.702 -10.218 1.00 1.00 N ATOM 414 CA LYS A 29 80.736 8.197 -9.318 1.00 1.00 C ATOM 415 C LYS A 29 81.275 7.034 -8.482 1.00 1.00 C ATOM 416 O LYS A 29 80.563 6.104 -8.161 1.00 1.00 O ATOM 417 CB LYS A 29 80.174 9.277 -8.391 1.00 1.00 C ATOM 418 CG LYS A 29 81.326 10.001 -7.692 1.00 1.00 C ATOM 419 CD LYS A 29 80.775 10.852 -6.546 1.00 1.00 C ATOM 420 CE LYS A 29 79.877 11.952 -7.113 1.00 1.00 C ATOM 421 NZ LYS A 29 78.515 11.402 -7.363 1.00 1.00 N ATOM 0 HA LYS A 29 81.544 8.618 -9.917 1.00 1.00 H new ATOM 0 HB2 LYS A 29 79.578 9.988 -8.963 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.511 8.827 -7.652 1.00 1.00 H new ATOM 0 HG2 LYS A 29 82.045 9.277 -7.308 1.00 1.00 H new ATOM 0 HG3 LYS A 29 81.858 10.632 -8.404 1.00 1.00 H new ATOM 0 HD2 LYS A 29 80.210 10.227 -5.854 1.00 1.00 H new ATOM 0 HD3 LYS A 29 81.595 11.293 -5.980 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.821 12.787 -6.414 1.00 1.00 H new ATOM 0 HE3 LYS A 29 80.300 12.340 -8.040 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 78.362 11.307 -8.387 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 78.429 10.469 -6.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 77.802 12.046 -6.965 1.00 1.00 H new ATOM 435 N CYS A 30 82.531 7.080 -8.128 1.00 1.00 N ATOM 436 CA CYS A 30 83.119 5.979 -7.314 1.00 1.00 C ATOM 437 C CYS A 30 82.583 6.060 -5.883 1.00 1.00 C ATOM 438 O CYS A 30 82.798 5.175 -5.079 1.00 1.00 O ATOM 439 CB CYS A 30 84.645 6.116 -7.300 1.00 1.00 C ATOM 440 SG CYS A 30 85.366 4.952 -8.484 1.00 1.00 S ATOM 0 HA CYS A 30 82.845 5.018 -7.748 1.00 1.00 H new ATOM 0 HB2 CYS A 30 84.932 7.136 -7.556 1.00 1.00 H new ATOM 0 HB3 CYS A 30 85.029 5.918 -6.299 1.00 1.00 H new ATOM 445 N LYS A 31 81.889 7.115 -5.555 1.00 1.00 N ATOM 446 CA LYS A 31 81.347 7.246 -4.174 1.00 1.00 C ATOM 447 C LYS A 31 82.484 7.040 -3.169 1.00 1.00 C ATOM 448 O LYS A 31 82.260 6.736 -2.014 1.00 1.00 O ATOM 449 CB LYS A 31 80.254 6.186 -3.952 1.00 1.00 C ATOM 450 CG LYS A 31 78.925 6.877 -3.642 1.00 1.00 C ATOM 451 CD LYS A 31 78.360 7.495 -4.923 1.00 1.00 C ATOM 452 CE LYS A 31 77.757 6.395 -5.798 1.00 1.00 C ATOM 453 NZ LYS A 31 78.387 6.432 -7.148 1.00 1.00 N ATOM 0 H LYS A 31 81.674 7.890 -6.182 1.00 1.00 H new ATOM 0 HA LYS A 31 80.916 8.238 -4.036 1.00 1.00 H new ATOM 0 HB2 LYS A 31 80.153 5.562 -4.840 1.00 1.00 H new ATOM 0 HB3 LYS A 31 80.534 5.527 -3.130 1.00 1.00 H new ATOM 0 HG2 LYS A 31 78.217 6.158 -3.229 1.00 1.00 H new ATOM 0 HG3 LYS A 31 79.072 7.649 -2.887 1.00 1.00 H new ATOM 0 HD2 LYS A 31 77.600 8.236 -4.677 1.00 1.00 H new ATOM 0 HD3 LYS A 31 79.148 8.015 -5.467 1.00 1.00 H new ATOM 0 HE2 LYS A 31 77.917 5.420 -5.337 1.00 1.00 H new ATOM 0 HE3 LYS A 31 76.679 6.534 -5.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 78.262 5.511 -7.615 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 77.937 7.174 -7.721 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 79.402 6.637 -7.052 1.00 1.00 H new ATOM 467 N GLN A 32 83.705 7.205 -3.602 1.00 1.00 N ATOM 468 CA GLN A 32 84.861 7.021 -2.679 1.00 1.00 C ATOM 469 C GLN A 32 85.969 8.004 -3.059 1.00 1.00 C ATOM 470 O GLN A 32 86.620 7.858 -4.075 1.00 1.00 O ATOM 471 CB GLN A 32 85.386 5.589 -2.797 1.00 1.00 C ATOM 472 CG GLN A 32 84.351 4.617 -2.226 1.00 1.00 C ATOM 473 CD GLN A 32 84.965 3.220 -2.124 1.00 1.00 C ATOM 474 OE1 GLN A 32 84.500 2.292 -2.756 1.00 1.00 O ATOM 475 NE2 GLN A 32 85.997 3.028 -1.349 1.00 1.00 N ATOM 0 H GLN A 32 83.952 7.460 -4.558 1.00 1.00 H new ATOM 0 HA GLN A 32 84.544 7.205 -1.653 1.00 1.00 H new ATOM 0 HB2 GLN A 32 85.588 5.349 -3.841 1.00 1.00 H new ATOM 0 HB3 GLN A 32 86.329 5.491 -2.259 1.00 1.00 H new ATOM 0 HG2 GLN A 32 84.023 4.954 -1.243 1.00 1.00 H new ATOM 0 HG3 GLN A 32 83.468 4.592 -2.865 1.00 1.00 H new ATOM 0 HE21 GLN A 32 86.388 3.806 -0.818 1.00 1.00 H new ATOM 0 HE22 GLN A 32 86.413 2.100 -1.274 1.00 1.00 H new ATOM 484 N ARG A 33 86.186 9.009 -2.253 1.00 1.00 N ATOM 485 CA ARG A 33 87.248 10.008 -2.567 1.00 1.00 C ATOM 486 C ARG A 33 87.982 10.394 -1.282 1.00 1.00 C ATOM 487 O ARG A 33 89.107 10.852 -1.311 1.00 1.00 O ATOM 488 CB ARG A 33 86.605 11.256 -3.179 1.00 1.00 C ATOM 489 CG ARG A 33 87.677 12.099 -3.873 1.00 1.00 C ATOM 490 CD ARG A 33 87.802 11.664 -5.334 1.00 1.00 C ATOM 491 NE ARG A 33 86.627 12.164 -6.103 1.00 1.00 N ATOM 492 CZ ARG A 33 86.571 13.416 -6.468 1.00 1.00 C ATOM 493 NH1 ARG A 33 87.544 14.229 -6.160 1.00 1.00 N ATOM 494 NH2 ARG A 33 85.543 13.853 -7.142 1.00 1.00 N ATOM 0 H ARG A 33 85.672 9.181 -1.389 1.00 1.00 H new ATOM 0 HA ARG A 33 87.956 9.576 -3.274 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.836 10.967 -3.895 1.00 1.00 H new ATOM 0 HB3 ARG A 33 86.114 11.842 -2.402 1.00 1.00 H new ATOM 0 HG2 ARG A 33 87.415 13.156 -3.818 1.00 1.00 H new ATOM 0 HG3 ARG A 33 88.634 11.981 -3.364 1.00 1.00 H new ATOM 0 HD2 ARG A 33 88.724 12.055 -5.763 1.00 1.00 H new ATOM 0 HD3 ARG A 33 87.856 10.577 -5.398 1.00 1.00 H new ATOM 0 HE ARG A 33 85.867 11.528 -6.344 1.00 1.00 H new ATOM 0 HH11 ARG A 33 88.348 13.886 -5.634 1.00 1.00 H new ATOM 0 HH12 ARG A 33 87.501 15.207 -6.445 1.00 1.00 H new ATOM 0 HH21 ARG A 33 84.783 13.216 -7.383 1.00 1.00 H new ATOM 0 HH22 ARG A 33 85.499 14.831 -7.427 1.00 1.00 H new ATOM 508 N GLN A 34 87.352 10.218 -0.153 1.00 1.00 N ATOM 509 CA GLN A 34 88.010 10.581 1.135 1.00 1.00 C ATOM 510 C GLN A 34 88.755 9.368 1.693 1.00 1.00 C ATOM 511 O GLN A 34 89.837 9.491 2.232 1.00 1.00 O ATOM 512 CB GLN A 34 86.947 11.033 2.139 1.00 1.00 C ATOM 513 CG GLN A 34 86.368 12.379 1.699 1.00 1.00 C ATOM 514 CD GLN A 34 85.381 12.880 2.755 1.00 1.00 C ATOM 515 OE1 GLN A 34 84.204 13.021 2.485 1.00 1.00 O ATOM 516 NE2 GLN A 34 85.812 13.157 3.955 1.00 1.00 N ATOM 0 H GLN A 34 86.409 9.838 -0.066 1.00 1.00 H new ATOM 0 HA GLN A 34 88.719 11.391 0.963 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.154 10.288 2.205 1.00 1.00 H new ATOM 0 HB3 GLN A 34 87.385 11.121 3.133 1.00 1.00 H new ATOM 0 HG2 GLN A 34 87.170 13.105 1.562 1.00 1.00 H new ATOM 0 HG3 GLN A 34 85.866 12.274 0.737 1.00 1.00 H new ATOM 0 HE21 GLN A 34 86.799 13.039 4.182 1.00 1.00 H new ATOM 0 HE22 GLN A 34 85.162 13.492 4.666 1.00 1.00 H new ATOM 525 N THR A 35 88.180 8.199 1.566 1.00 1.00 N ATOM 526 CA THR A 35 88.838 6.959 2.087 1.00 1.00 C ATOM 527 C THR A 35 89.698 7.293 3.310 1.00 1.00 C ATOM 528 O THR A 35 90.878 7.560 3.197 1.00 1.00 O ATOM 529 CB THR A 35 89.718 6.338 0.994 1.00 1.00 C ATOM 530 OG1 THR A 35 90.761 5.587 1.599 1.00 1.00 O ATOM 531 CG2 THR A 35 90.320 7.447 0.129 1.00 1.00 C ATOM 0 H THR A 35 87.275 8.048 1.120 1.00 1.00 H new ATOM 0 HA THR A 35 88.066 6.247 2.378 1.00 1.00 H new ATOM 0 HB THR A 35 89.113 5.682 0.369 1.00 1.00 H new ATOM 0 HG1 THR A 35 91.359 6.191 2.086 1.00 1.00 H new ATOM 0 HG21 THR A 35 90.945 7.005 -0.647 1.00 1.00 H new ATOM 0 HG22 THR A 35 89.519 8.022 -0.335 1.00 1.00 H new ATOM 0 HG23 THR A 35 90.926 8.105 0.751 1.00 1.00 H new ATOM 539 N ARG A 36 89.112 7.283 4.479 1.00 1.00 N ATOM 540 CA ARG A 36 89.889 7.602 5.712 1.00 1.00 C ATOM 541 C ARG A 36 89.468 6.653 6.837 1.00 1.00 C ATOM 542 O ARG A 36 90.197 6.434 7.784 1.00 1.00 O ATOM 543 CB ARG A 36 89.604 9.052 6.129 1.00 1.00 C ATOM 544 CG ARG A 36 90.805 9.613 6.893 1.00 1.00 C ATOM 545 CD ARG A 36 91.772 10.276 5.910 1.00 1.00 C ATOM 546 NE ARG A 36 93.093 10.472 6.569 1.00 1.00 N ATOM 547 CZ ARG A 36 93.956 9.494 6.606 1.00 1.00 C ATOM 548 NH1 ARG A 36 93.661 8.343 6.065 1.00 1.00 N ATOM 549 NH2 ARG A 36 95.114 9.665 7.183 1.00 1.00 N ATOM 0 H ARG A 36 88.127 7.067 4.632 1.00 1.00 H new ATOM 0 HA ARG A 36 90.955 7.482 5.517 1.00 1.00 H new ATOM 0 HB2 ARG A 36 89.404 9.662 5.248 1.00 1.00 H new ATOM 0 HB3 ARG A 36 88.712 9.092 6.754 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.471 10.338 7.635 1.00 1.00 H new ATOM 0 HG3 ARG A 36 91.311 8.813 7.434 1.00 1.00 H new ATOM 0 HD2 ARG A 36 91.886 9.656 5.021 1.00 1.00 H new ATOM 0 HD3 ARG A 36 91.372 11.235 5.581 1.00 1.00 H new ATOM 0 HE ARG A 36 93.323 11.371 6.992 1.00 1.00 H new ATOM 0 HH11 ARG A 36 92.756 8.209 5.614 1.00 1.00 H new ATOM 0 HH12 ARG A 36 94.335 7.578 6.094 1.00 1.00 H new ATOM 0 HH21 ARG A 36 95.345 10.564 7.606 1.00 1.00 H new ATOM 0 HH22 ARG A 36 95.788 8.900 7.211 1.00 1.00 H new ATOM 563 N GLN A 37 88.293 6.089 6.740 1.00 1.00 N ATOM 564 CA GLN A 37 87.816 5.154 7.801 1.00 1.00 C ATOM 565 C GLN A 37 88.019 3.710 7.338 1.00 1.00 C ATOM 566 O GLN A 37 88.677 3.454 6.350 1.00 1.00 O ATOM 567 CB GLN A 37 86.326 5.400 8.065 1.00 1.00 C ATOM 568 CG GLN A 37 86.032 6.899 7.977 1.00 1.00 C ATOM 569 CD GLN A 37 84.550 7.146 8.266 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.195 8.135 8.877 1.00 1.00 O ATOM 571 NE2 GLN A 37 83.663 6.284 7.849 1.00 1.00 N ATOM 0 H GLN A 37 87.641 6.236 5.969 1.00 1.00 H new ATOM 0 HA GLN A 37 88.382 5.325 8.717 1.00 1.00 H new ATOM 0 HB2 GLN A 37 85.723 4.857 7.338 1.00 1.00 H new ATOM 0 HB3 GLN A 37 86.053 5.022 9.051 1.00 1.00 H new ATOM 0 HG2 GLN A 37 86.649 7.444 8.692 1.00 1.00 H new ATOM 0 HG3 GLN A 37 86.287 7.273 6.986 1.00 1.00 H new ATOM 0 HE21 GLN A 37 83.960 5.454 7.336 1.00 1.00 H new ATOM 0 HE22 GLN A 37 82.673 6.441 8.036 1.00 1.00 H new ATOM 580 N CYS A 38 87.455 2.767 8.051 1.00 1.00 N ATOM 581 CA CYS A 38 87.598 1.329 7.675 1.00 1.00 C ATOM 582 C CYS A 38 88.913 0.778 8.233 1.00 1.00 C ATOM 583 O CYS A 38 89.551 -0.061 7.629 1.00 1.00 O ATOM 584 CB CYS A 38 87.585 1.183 6.149 1.00 1.00 C ATOM 585 SG CYS A 38 86.888 -0.427 5.705 1.00 1.00 S ATOM 0 H CYS A 38 86.895 2.936 8.887 1.00 1.00 H new ATOM 0 HA CYS A 38 86.763 0.767 8.094 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.995 1.983 5.701 1.00 1.00 H new ATOM 0 HB3 CYS A 38 88.597 1.274 5.755 1.00 1.00 H new ATOM 590 N LYS A 39 89.315 1.232 9.391 1.00 1.00 N ATOM 591 CA LYS A 39 90.579 0.725 10.002 1.00 1.00 C ATOM 592 C LYS A 39 90.376 0.583 11.510 1.00 1.00 C ATOM 593 O LYS A 39 91.138 -0.074 12.192 1.00 1.00 O ATOM 594 CB LYS A 39 91.724 1.710 9.736 1.00 1.00 C ATOM 595 CG LYS A 39 92.086 1.693 8.250 1.00 1.00 C ATOM 596 CD LYS A 39 91.416 2.875 7.547 1.00 1.00 C ATOM 597 CE LYS A 39 92.066 4.180 8.010 1.00 1.00 C ATOM 598 NZ LYS A 39 93.431 3.896 8.536 1.00 1.00 N ATOM 0 H LYS A 39 88.821 1.934 9.942 1.00 1.00 H new ATOM 0 HA LYS A 39 90.832 -0.240 9.563 1.00 1.00 H new ATOM 0 HB2 LYS A 39 91.429 2.715 10.036 1.00 1.00 H new ATOM 0 HB3 LYS A 39 92.594 1.441 10.335 1.00 1.00 H new ATOM 0 HG2 LYS A 39 93.168 1.749 8.128 1.00 1.00 H new ATOM 0 HG3 LYS A 39 91.762 0.756 7.797 1.00 1.00 H new ATOM 0 HD2 LYS A 39 91.513 2.772 6.466 1.00 1.00 H new ATOM 0 HD3 LYS A 39 90.349 2.888 7.771 1.00 1.00 H new ATOM 0 HE2 LYS A 39 92.124 4.884 7.180 1.00 1.00 H new ATOM 0 HE3 LYS A 39 91.457 4.648 8.783 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 93.960 4.787 8.628 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 93.356 3.440 9.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 93.931 3.263 7.880 1.00 1.00 H new ATOM 612 N SER A 40 89.349 1.197 12.035 1.00 1.00 N ATOM 613 CA SER A 40 89.082 1.106 13.500 1.00 1.00 C ATOM 614 C SER A 40 87.929 0.131 13.749 1.00 1.00 C ATOM 615 O SER A 40 87.856 -0.510 14.778 1.00 1.00 O ATOM 616 CB SER A 40 88.702 2.487 14.033 1.00 1.00 C ATOM 617 OG SER A 40 87.508 2.922 13.398 1.00 1.00 O ATOM 0 H SER A 40 88.681 1.760 11.509 1.00 1.00 H new ATOM 0 HA SER A 40 89.976 0.750 14.011 1.00 1.00 H new ATOM 0 HB2 SER A 40 88.559 2.446 15.113 1.00 1.00 H new ATOM 0 HB3 SER A 40 89.507 3.197 13.844 1.00 1.00 H new ATOM 0 HG SER A 40 87.260 3.807 13.739 1.00 1.00 H new ATOM 623 N LYS A 41 87.026 0.016 12.813 1.00 1.00 N ATOM 624 CA LYS A 41 85.878 -0.918 12.995 1.00 1.00 C ATOM 625 C LYS A 41 86.402 -2.275 13.486 1.00 1.00 C ATOM 626 O LYS A 41 87.064 -2.984 12.754 1.00 1.00 O ATOM 627 CB LYS A 41 85.162 -1.106 11.654 1.00 1.00 C ATOM 628 CG LYS A 41 84.746 0.258 11.099 1.00 1.00 C ATOM 629 CD LYS A 41 83.603 0.826 11.944 1.00 1.00 C ATOM 630 CE LYS A 41 84.099 2.048 12.719 1.00 1.00 C ATOM 631 NZ LYS A 41 84.596 3.075 11.761 1.00 1.00 N ATOM 0 H LYS A 41 87.034 0.528 11.931 1.00 1.00 H new ATOM 0 HA LYS A 41 85.183 -0.507 13.727 1.00 1.00 H new ATOM 0 HB2 LYS A 41 85.819 -1.612 10.947 1.00 1.00 H new ATOM 0 HB3 LYS A 41 84.285 -1.740 11.784 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.595 0.941 11.110 1.00 1.00 H new ATOM 0 HG3 LYS A 41 84.430 0.159 10.060 1.00 1.00 H new ATOM 0 HD2 LYS A 41 82.766 1.104 11.303 1.00 1.00 H new ATOM 0 HD3 LYS A 41 83.237 0.068 12.636 1.00 1.00 H new ATOM 0 HE2 LYS A 41 83.292 2.460 13.324 1.00 1.00 H new ATOM 0 HE3 LYS A 41 84.896 1.759 13.404 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 84.565 4.012 12.210 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 85.575 2.853 11.491 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 83.995 3.078 10.912 1.00 1.00 H new ATOM 645 N PRO A 42 86.120 -2.640 14.716 1.00 1.00 N ATOM 646 CA PRO A 42 86.587 -3.933 15.290 1.00 1.00 C ATOM 647 C PRO A 42 85.721 -5.116 14.835 1.00 1.00 C ATOM 648 O PRO A 42 84.593 -4.940 14.420 1.00 1.00 O ATOM 649 CB PRO A 42 86.456 -3.718 16.798 1.00 1.00 C ATOM 650 CG PRO A 42 85.336 -2.740 16.950 1.00 1.00 C ATOM 651 CD PRO A 42 85.332 -1.867 15.690 1.00 1.00 C ATOM 0 HA PRO A 42 87.599 -4.183 14.970 1.00 1.00 H new ATOM 0 HB2 PRO A 42 86.237 -4.653 17.313 1.00 1.00 H new ATOM 0 HB3 PRO A 42 87.381 -3.329 17.224 1.00 1.00 H new ATOM 0 HG2 PRO A 42 84.384 -3.258 17.064 1.00 1.00 H new ATOM 0 HG3 PRO A 42 85.475 -2.129 17.842 1.00 1.00 H new ATOM 0 HD2 PRO A 42 84.318 -1.689 15.331 1.00 1.00 H new ATOM 0 HD3 PRO A 42 85.779 -0.891 15.880 1.00 1.00 H new ATOM 659 N PRO A 43 86.246 -6.312 14.919 1.00 1.00 N ATOM 660 CA PRO A 43 85.511 -7.545 14.516 1.00 1.00 C ATOM 661 C PRO A 43 84.469 -7.962 15.560 1.00 1.00 C ATOM 662 O PRO A 43 84.470 -7.483 16.677 1.00 1.00 O ATOM 663 CB PRO A 43 86.616 -8.598 14.405 1.00 1.00 C ATOM 664 CG PRO A 43 87.665 -8.152 15.369 1.00 1.00 C ATOM 665 CD PRO A 43 87.599 -6.623 15.410 1.00 1.00 C ATOM 0 HA PRO A 43 84.949 -7.405 13.593 1.00 1.00 H new ATOM 0 HB2 PRO A 43 86.243 -9.591 14.657 1.00 1.00 H new ATOM 0 HB3 PRO A 43 87.009 -8.653 13.390 1.00 1.00 H new ATOM 0 HG2 PRO A 43 87.487 -8.574 16.358 1.00 1.00 H new ATOM 0 HG3 PRO A 43 88.652 -8.489 15.051 1.00 1.00 H new ATOM 0 HD2 PRO A 43 87.754 -6.244 16.420 1.00 1.00 H new ATOM 0 HD3 PRO A 43 88.366 -6.173 14.779 1.00 1.00 H new ATOM 673 N LYS A 44 83.581 -8.850 15.203 1.00 1.00 N ATOM 674 CA LYS A 44 82.538 -9.303 16.168 1.00 1.00 C ATOM 675 C LYS A 44 81.588 -8.142 16.486 1.00 1.00 C ATOM 676 O LYS A 44 80.523 -8.030 15.912 1.00 1.00 O ATOM 677 CB LYS A 44 83.209 -9.806 17.455 1.00 1.00 C ATOM 678 CG LYS A 44 82.262 -10.758 18.188 1.00 1.00 C ATOM 679 CD LYS A 44 82.344 -12.148 17.555 1.00 1.00 C ATOM 680 CE LYS A 44 81.757 -13.183 18.516 1.00 1.00 C ATOM 681 NZ LYS A 44 80.362 -12.797 18.871 1.00 1.00 N ATOM 0 H LYS A 44 83.533 -9.283 14.281 1.00 1.00 H new ATOM 0 HA LYS A 44 81.964 -10.117 15.726 1.00 1.00 H new ATOM 0 HB2 LYS A 44 84.141 -10.317 17.215 1.00 1.00 H new ATOM 0 HB3 LYS A 44 83.464 -8.963 18.098 1.00 1.00 H new ATOM 0 HG2 LYS A 44 82.528 -10.811 19.244 1.00 1.00 H new ATOM 0 HG3 LYS A 44 81.240 -10.383 18.136 1.00 1.00 H new ATOM 0 HD2 LYS A 44 81.799 -12.162 16.611 1.00 1.00 H new ATOM 0 HD3 LYS A 44 83.381 -12.395 17.327 1.00 1.00 H new ATOM 0 HE2 LYS A 44 81.766 -14.170 18.054 1.00 1.00 H new ATOM 0 HE3 LYS A 44 82.368 -13.247 19.416 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 79.883 -13.602 19.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 80.381 -11.992 19.529 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 79.846 -12.527 18.009 1.00 1.00 H new ATOM 695 N LYS A 45 81.960 -7.275 17.393 1.00 1.00 N ATOM 696 CA LYS A 45 81.070 -6.124 17.739 1.00 1.00 C ATOM 697 C LYS A 45 81.561 -4.869 17.013 1.00 1.00 C ATOM 698 O LYS A 45 82.668 -4.821 16.516 1.00 1.00 O ATOM 699 CB LYS A 45 81.105 -5.886 19.253 1.00 1.00 C ATOM 700 CG LYS A 45 79.995 -4.908 19.644 1.00 1.00 C ATOM 701 CD LYS A 45 79.876 -4.852 21.168 1.00 1.00 C ATOM 702 CE LYS A 45 78.804 -5.838 21.633 1.00 1.00 C ATOM 703 NZ LYS A 45 79.125 -7.200 21.121 1.00 1.00 N ATOM 0 H LYS A 45 82.839 -7.313 17.908 1.00 1.00 H new ATOM 0 HA LYS A 45 80.048 -6.348 17.432 1.00 1.00 H new ATOM 0 HB2 LYS A 45 80.975 -6.830 19.783 1.00 1.00 H new ATOM 0 HB3 LYS A 45 82.076 -5.486 19.546 1.00 1.00 H new ATOM 0 HG2 LYS A 45 80.214 -3.916 19.249 1.00 1.00 H new ATOM 0 HG3 LYS A 45 79.048 -5.223 19.206 1.00 1.00 H new ATOM 0 HD2 LYS A 45 80.834 -5.097 21.627 1.00 1.00 H new ATOM 0 HD3 LYS A 45 79.619 -3.842 21.486 1.00 1.00 H new ATOM 0 HE2 LYS A 45 78.754 -5.850 22.722 1.00 1.00 H new ATOM 0 HE3 LYS A 45 77.825 -5.524 21.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 78.487 -7.895 21.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 79.003 -7.220 20.088 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 80.110 -7.437 21.358 1.00 1.00 H new ATOM 717 N GLY A 46 80.744 -3.853 16.948 1.00 1.00 N ATOM 718 CA GLY A 46 81.162 -2.601 16.255 1.00 1.00 C ATOM 719 C GLY A 46 80.469 -1.404 16.906 1.00 1.00 C ATOM 720 O GLY A 46 79.264 -1.265 16.847 1.00 1.00 O ATOM 0 H GLY A 46 79.805 -3.836 17.345 1.00 1.00 H new ATOM 0 HA2 GLY A 46 82.244 -2.484 16.313 1.00 1.00 H new ATOM 0 HA3 GLY A 46 80.903 -2.654 15.197 1.00 1.00 H new ATOM 724 N VAL A 47 81.220 -0.536 17.527 1.00 1.00 N ATOM 725 CA VAL A 47 80.602 0.649 18.179 1.00 1.00 C ATOM 726 C VAL A 47 80.205 1.665 17.102 1.00 1.00 C ATOM 727 O VAL A 47 79.158 1.558 16.495 1.00 1.00 O ATOM 728 CB VAL A 47 81.611 1.270 19.156 1.00 1.00 C ATOM 729 CG1 VAL A 47 82.975 1.391 18.474 1.00 1.00 C ATOM 730 CG2 VAL A 47 81.126 2.660 19.572 1.00 1.00 C ATOM 0 H VAL A 47 82.235 -0.598 17.610 1.00 1.00 H new ATOM 0 HA VAL A 47 79.711 0.353 18.732 1.00 1.00 H new ATOM 0 HB VAL A 47 81.701 0.635 20.038 1.00 1.00 H new ATOM 0 HG11 VAL A 47 83.691 1.832 19.168 1.00 1.00 H new ATOM 0 HG12 VAL A 47 83.321 0.402 18.175 1.00 1.00 H new ATOM 0 HG13 VAL A 47 82.886 2.026 17.592 1.00 1.00 H new ATOM 0 HG21 VAL A 47 81.841 3.102 20.266 1.00 1.00 H new ATOM 0 HG22 VAL A 47 81.037 3.294 18.689 1.00 1.00 H new ATOM 0 HG23 VAL A 47 80.154 2.576 20.058 1.00 1.00 H new ATOM 740 N GLN A 48 81.030 2.645 16.853 1.00 1.00 N ATOM 741 CA GLN A 48 80.691 3.654 15.810 1.00 1.00 C ATOM 742 C GLN A 48 81.973 4.334 15.320 1.00 1.00 C ATOM 743 O GLN A 48 82.960 4.401 16.025 1.00 1.00 O ATOM 744 CB GLN A 48 79.732 4.699 16.395 1.00 1.00 C ATOM 745 CG GLN A 48 80.530 5.768 17.144 1.00 1.00 C ATOM 746 CD GLN A 48 79.598 6.539 18.081 1.00 1.00 C ATOM 747 OE1 GLN A 48 79.066 7.568 17.716 1.00 1.00 O ATOM 748 NE2 GLN A 48 79.378 6.081 19.283 1.00 1.00 N ATOM 0 H GLN A 48 81.922 2.790 17.326 1.00 1.00 H new ATOM 0 HA GLN A 48 80.206 3.159 14.969 1.00 1.00 H new ATOM 0 HB2 GLN A 48 79.149 5.159 15.597 1.00 1.00 H new ATOM 0 HB3 GLN A 48 79.024 4.219 17.071 1.00 1.00 H new ATOM 0 HG2 GLN A 48 81.334 5.303 17.715 1.00 1.00 H new ATOM 0 HG3 GLN A 48 80.997 6.452 16.435 1.00 1.00 H new ATOM 0 HE21 GLN A 48 79.825 5.217 19.589 1.00 1.00 H new ATOM 0 HE22 GLN A 48 78.759 6.587 19.916 1.00 1.00 H new ATOM 757 N GLY A 49 81.963 4.839 14.118 1.00 1.00 N ATOM 758 CA GLY A 49 83.177 5.514 13.580 1.00 1.00 C ATOM 759 C GLY A 49 82.979 5.799 12.092 1.00 1.00 C ATOM 760 O GLY A 49 83.902 5.721 11.305 1.00 1.00 O ATOM 0 H GLY A 49 81.165 4.813 13.484 1.00 1.00 H new ATOM 0 HA2 GLY A 49 83.359 6.444 14.119 1.00 1.00 H new ATOM 0 HA3 GLY A 49 84.053 4.883 13.728 1.00 1.00 H new ATOM 764 N CYS A 50 81.779 6.128 11.699 1.00 1.00 N ATOM 765 CA CYS A 50 81.515 6.416 10.261 1.00 1.00 C ATOM 766 C CYS A 50 80.359 7.411 10.145 1.00 1.00 C ATOM 767 O CYS A 50 80.120 7.981 9.099 1.00 1.00 O ATOM 768 CB CYS A 50 81.144 5.118 9.543 1.00 1.00 C ATOM 769 SG CYS A 50 80.634 5.491 7.847 1.00 1.00 S ATOM 0 H CYS A 50 80.969 6.210 12.313 1.00 1.00 H new ATOM 0 HA CYS A 50 82.408 6.842 9.805 1.00 1.00 H new ATOM 0 HB2 CYS A 50 81.995 4.437 9.537 1.00 1.00 H new ATOM 0 HB3 CYS A 50 80.337 4.614 10.074 1.00 1.00 H new ATOM 774 N GLY A 51 79.639 7.625 11.215 1.00 1.00 N ATOM 775 CA GLY A 51 78.494 8.583 11.176 1.00 1.00 C ATOM 776 C GLY A 51 78.877 9.867 11.915 1.00 1.00 C ATOM 777 O GLY A 51 78.029 10.606 12.375 1.00 1.00 O ATOM 0 H GLY A 51 79.795 7.176 12.117 1.00 1.00 H new ATOM 0 HA2 GLY A 51 78.231 8.810 10.143 1.00 1.00 H new ATOM 0 HA3 GLY A 51 77.614 8.134 11.637 1.00 1.00 H new ATOM 781 N ASP A 52 80.148 10.140 12.033 1.00 1.00 N ATOM 782 CA ASP A 52 80.582 11.376 12.743 1.00 1.00 C ATOM 783 C ASP A 52 79.867 12.589 12.144 1.00 1.00 C ATOM 784 O ASP A 52 79.705 13.606 12.787 1.00 1.00 O ATOM 785 CB ASP A 52 82.095 11.548 12.588 1.00 1.00 C ATOM 786 CG ASP A 52 82.466 11.496 11.105 1.00 1.00 C ATOM 787 OD1 ASP A 52 81.807 12.164 10.326 1.00 1.00 O ATOM 788 OD2 ASP A 52 83.404 10.789 10.774 1.00 1.00 O ATOM 0 H ASP A 52 80.904 9.561 11.668 1.00 1.00 H new ATOM 0 HA ASP A 52 80.331 11.294 13.801 1.00 1.00 H new ATOM 0 HB2 ASP A 52 82.410 12.498 13.019 1.00 1.00 H new ATOM 0 HB3 ASP A 52 82.619 10.762 13.132 1.00 1.00 H new ATOM 793 N ASP A 53 79.439 12.489 10.915 1.00 1.00 N ATOM 794 CA ASP A 53 78.735 13.637 10.274 1.00 1.00 C ATOM 795 C ASP A 53 77.833 13.118 9.152 1.00 1.00 C ATOM 796 O ASP A 53 76.950 12.315 9.377 1.00 1.00 O ATOM 797 CB ASP A 53 79.766 14.609 9.695 1.00 1.00 C ATOM 798 CG ASP A 53 80.694 15.094 10.810 1.00 1.00 C ATOM 799 OD1 ASP A 53 80.216 15.792 11.690 1.00 1.00 O ATOM 800 OD2 ASP A 53 81.866 14.761 10.766 1.00 1.00 O ATOM 0 H ASP A 53 79.546 11.662 10.327 1.00 1.00 H new ATOM 0 HA ASP A 53 78.128 14.154 11.018 1.00 1.00 H new ATOM 0 HB2 ASP A 53 80.345 14.118 8.913 1.00 1.00 H new ATOM 0 HB3 ASP A 53 79.262 15.457 9.232 1.00 1.00 H new ATOM 805 N ILE A 54 78.049 13.572 7.944 1.00 1.00 N ATOM 806 CA ILE A 54 77.206 13.108 6.801 1.00 1.00 C ATOM 807 C ILE A 54 78.109 12.494 5.720 1.00 1.00 C ATOM 808 O ILE A 54 79.079 13.100 5.309 1.00 1.00 O ATOM 809 CB ILE A 54 76.457 14.304 6.209 1.00 1.00 C ATOM 810 CG1 ILE A 54 75.696 15.029 7.321 1.00 1.00 C ATOM 811 CG2 ILE A 54 75.467 13.814 5.151 1.00 1.00 C ATOM 812 CD1 ILE A 54 75.051 16.296 6.757 1.00 1.00 C ATOM 0 H ILE A 54 78.775 14.246 7.699 1.00 1.00 H new ATOM 0 HA ILE A 54 76.493 12.362 7.151 1.00 1.00 H new ATOM 0 HB ILE A 54 77.171 14.988 5.750 1.00 1.00 H new ATOM 0 HG12 ILE A 54 74.931 14.374 7.739 1.00 1.00 H new ATOM 0 HG13 ILE A 54 76.376 15.285 8.134 1.00 1.00 H new ATOM 0 HG21 ILE A 54 74.934 14.666 4.729 1.00 1.00 H new ATOM 0 HG22 ILE A 54 76.008 13.296 4.359 1.00 1.00 H new ATOM 0 HG23 ILE A 54 74.753 13.130 5.610 1.00 1.00 H new ATOM 0 HD11 ILE A 54 74.509 16.812 7.549 1.00 1.00 H new ATOM 0 HD12 ILE A 54 75.825 16.953 6.360 1.00 1.00 H new ATOM 0 HD13 ILE A 54 74.359 16.028 5.959 1.00 1.00 H new ATOM 824 N PRO A 55 77.799 11.306 5.257 1.00 1.00 N ATOM 825 CA PRO A 55 78.608 10.625 4.204 1.00 1.00 C ATOM 826 C PRO A 55 78.331 11.195 2.809 1.00 1.00 C ATOM 827 O PRO A 55 77.816 12.286 2.665 1.00 1.00 O ATOM 828 CB PRO A 55 78.151 9.167 4.292 1.00 1.00 C ATOM 829 CG PRO A 55 76.745 9.238 4.791 1.00 1.00 C ATOM 830 CD PRO A 55 76.653 10.484 5.679 1.00 1.00 C ATOM 0 HA PRO A 55 79.679 10.755 4.359 1.00 1.00 H new ATOM 0 HB2 PRO A 55 78.201 8.677 3.320 1.00 1.00 H new ATOM 0 HB3 PRO A 55 78.783 8.594 4.971 1.00 1.00 H new ATOM 0 HG2 PRO A 55 76.043 9.303 3.960 1.00 1.00 H new ATOM 0 HG3 PRO A 55 76.489 8.341 5.355 1.00 1.00 H new ATOM 0 HD2 PRO A 55 75.709 11.010 5.533 1.00 1.00 H new ATOM 0 HD3 PRO A 55 76.714 10.226 6.736 1.00 1.00 H new ATOM 838 N GLY A 56 78.668 10.465 1.781 1.00 1.00 N ATOM 839 CA GLY A 56 78.420 10.966 0.399 1.00 1.00 C ATOM 840 C GLY A 56 76.923 10.899 0.094 1.00 1.00 C ATOM 841 O GLY A 56 76.516 10.536 -0.992 1.00 1.00 O ATOM 0 H GLY A 56 79.104 9.545 1.838 1.00 1.00 H new ATOM 0 HA2 GLY A 56 78.776 11.992 0.303 1.00 1.00 H new ATOM 0 HA3 GLY A 56 78.976 10.367 -0.322 1.00 1.00 H new ATOM 845 N MET A 57 76.098 11.245 1.045 1.00 1.00 N ATOM 846 CA MET A 57 74.627 11.200 0.811 1.00 1.00 C ATOM 847 C MET A 57 74.183 12.489 0.114 1.00 1.00 C ATOM 848 O MET A 57 73.045 12.900 0.213 1.00 1.00 O ATOM 849 CB MET A 57 73.901 11.066 2.155 1.00 1.00 C ATOM 850 CG MET A 57 72.399 10.898 1.915 1.00 1.00 C ATOM 851 SD MET A 57 71.694 9.850 3.211 1.00 1.00 S ATOM 852 CE MET A 57 72.341 10.773 4.626 1.00 1.00 C ATOM 0 H MET A 57 76.380 11.557 1.974 1.00 1.00 H new ATOM 0 HA MET A 57 74.383 10.345 0.181 1.00 1.00 H new ATOM 0 HB2 MET A 57 74.289 10.209 2.705 1.00 1.00 H new ATOM 0 HB3 MET A 57 74.085 11.948 2.768 1.00 1.00 H new ATOM 0 HG2 MET A 57 71.909 11.872 1.913 1.00 1.00 H new ATOM 0 HG3 MET A 57 72.224 10.451 0.936 1.00 1.00 H new ATOM 0 HE1 MET A 57 71.715 10.586 5.499 1.00 1.00 H new ATOM 0 HE2 MET A 57 73.361 10.451 4.835 1.00 1.00 H new ATOM 0 HE3 MET A 57 72.337 11.839 4.398 1.00 1.00 H new ATOM 862 N GLU A 58 75.075 13.130 -0.593 1.00 1.00 N ATOM 863 CA GLU A 58 74.705 14.392 -1.297 1.00 1.00 C ATOM 864 C GLU A 58 74.278 14.071 -2.731 1.00 1.00 C ATOM 865 O GLU A 58 73.702 14.893 -3.415 1.00 1.00 O ATOM 866 CB GLU A 58 75.912 15.332 -1.324 1.00 1.00 C ATOM 867 CG GLU A 58 76.281 15.731 0.106 1.00 1.00 C ATOM 868 CD GLU A 58 75.233 16.704 0.652 1.00 1.00 C ATOM 869 OE1 GLU A 58 74.952 17.680 -0.024 1.00 1.00 O ATOM 870 OE2 GLU A 58 74.731 16.456 1.735 1.00 1.00 O ATOM 0 H GLU A 58 76.044 12.834 -0.713 1.00 1.00 H new ATOM 0 HA GLU A 58 73.880 14.873 -0.771 1.00 1.00 H new ATOM 0 HB2 GLU A 58 76.758 14.841 -1.805 1.00 1.00 H new ATOM 0 HB3 GLU A 58 75.682 16.220 -1.913 1.00 1.00 H new ATOM 0 HG2 GLU A 58 76.335 14.845 0.739 1.00 1.00 H new ATOM 0 HG3 GLU A 58 77.267 16.195 0.122 1.00 1.00 H new ATOM 877 N GLY A 59 74.555 12.882 -3.192 1.00 1.00 N ATOM 878 CA GLY A 59 74.163 12.512 -4.582 1.00 1.00 C ATOM 879 C GLY A 59 74.498 11.041 -4.834 1.00 1.00 C ATOM 880 O GLY A 59 75.425 10.718 -5.550 1.00 1.00 O ATOM 0 H GLY A 59 75.035 12.151 -2.667 1.00 1.00 H new ATOM 0 HA2 GLY A 59 73.096 12.683 -4.728 1.00 1.00 H new ATOM 0 HA3 GLY A 59 74.688 13.143 -5.299 1.00 1.00 H new ATOM 884 N CYS A 60 73.751 10.145 -4.248 1.00 1.00 N ATOM 885 CA CYS A 60 74.027 8.695 -4.452 1.00 1.00 C ATOM 886 C CYS A 60 73.622 8.290 -5.871 1.00 1.00 C ATOM 887 O CYS A 60 72.637 7.609 -6.075 1.00 1.00 O ATOM 888 CB CYS A 60 73.223 7.876 -3.439 1.00 1.00 C ATOM 889 SG CYS A 60 73.587 8.460 -1.765 1.00 1.00 S ATOM 0 H CYS A 60 72.962 10.355 -3.637 1.00 1.00 H new ATOM 0 HA CYS A 60 75.091 8.506 -4.312 1.00 1.00 H new ATOM 0 HB2 CYS A 60 72.157 7.970 -3.644 1.00 1.00 H new ATOM 0 HB3 CYS A 60 73.473 6.819 -3.529 1.00 1.00 H new ATOM 894 N GLY A 61 74.376 8.700 -6.855 1.00 1.00 N ATOM 895 CA GLY A 61 74.035 8.334 -8.261 1.00 1.00 C ATOM 896 C GLY A 61 74.751 7.034 -8.635 1.00 1.00 C ATOM 897 O GLY A 61 75.955 7.004 -8.790 1.00 1.00 O ATOM 0 H GLY A 61 75.213 9.272 -6.747 1.00 1.00 H new ATOM 0 HA2 GLY A 61 72.957 8.212 -8.365 1.00 1.00 H new ATOM 0 HA3 GLY A 61 74.332 9.134 -8.939 1.00 1.00 H new ATOM 901 N THR A 62 74.021 5.958 -8.778 1.00 1.00 N ATOM 902 CA THR A 62 74.667 4.661 -9.136 1.00 1.00 C ATOM 903 C THR A 62 73.608 3.559 -9.239 1.00 1.00 C ATOM 904 O THR A 62 73.359 2.831 -8.300 1.00 1.00 O ATOM 905 CB THR A 62 75.693 4.282 -8.062 1.00 1.00 C ATOM 906 OG1 THR A 62 76.049 2.915 -8.212 1.00 1.00 O ATOM 907 CG2 THR A 62 75.089 4.505 -6.675 1.00 1.00 C ATOM 0 H THR A 62 73.008 5.922 -8.663 1.00 1.00 H new ATOM 0 HA THR A 62 75.168 4.769 -10.098 1.00 1.00 H new ATOM 0 HB THR A 62 76.582 4.904 -8.172 1.00 1.00 H new ATOM 0 HG1 THR A 62 75.304 2.349 -7.920 1.00 1.00 H new ATOM 0 HG21 THR A 62 75.820 4.235 -5.912 1.00 1.00 H new ATOM 0 HG22 THR A 62 74.816 5.554 -6.561 1.00 1.00 H new ATOM 0 HG23 THR A 62 74.200 3.885 -6.561 1.00 1.00 H new ATOM 915 N ASP A 63 72.984 3.426 -10.377 1.00 1.00 N ATOM 916 CA ASP A 63 71.946 2.368 -10.538 1.00 1.00 C ATOM 917 C ASP A 63 72.611 0.987 -10.567 1.00 1.00 C ATOM 918 O ASP A 63 73.241 0.612 -11.536 1.00 1.00 O ATOM 919 CB ASP A 63 71.186 2.592 -11.848 1.00 1.00 C ATOM 920 CG ASP A 63 72.183 2.746 -12.998 1.00 1.00 C ATOM 921 OD1 ASP A 63 73.365 2.865 -12.720 1.00 1.00 O ATOM 922 OD2 ASP A 63 71.748 2.741 -14.138 1.00 1.00 O ATOM 0 H ASP A 63 73.148 4.003 -11.202 1.00 1.00 H new ATOM 0 HA ASP A 63 71.252 2.417 -9.699 1.00 1.00 H new ATOM 0 HB2 ASP A 63 70.519 1.752 -12.042 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.563 3.483 -11.771 1.00 1.00 H new ATOM 927 N ILE A 64 72.466 0.223 -9.516 1.00 1.00 N ATOM 928 CA ILE A 64 73.076 -1.140 -9.486 1.00 1.00 C ATOM 929 C ILE A 64 74.582 -1.027 -9.744 1.00 1.00 C ATOM 930 O ILE A 64 75.283 -2.012 -9.845 1.00 1.00 O ATOM 931 CB ILE A 64 72.406 -2.006 -10.573 1.00 1.00 C ATOM 932 CG1 ILE A 64 71.236 -2.777 -9.958 1.00 1.00 C ATOM 933 CG2 ILE A 64 73.426 -2.996 -11.139 1.00 1.00 C ATOM 934 CD1 ILE A 64 70.190 -1.790 -9.438 1.00 1.00 C ATOM 0 H ILE A 64 71.951 0.484 -8.676 1.00 1.00 H new ATOM 0 HA ILE A 64 72.923 -1.604 -8.512 1.00 1.00 H new ATOM 0 HB ILE A 64 72.040 -1.364 -11.375 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.790 -3.437 -10.702 1.00 1.00 H new ATOM 0 HG13 ILE A 64 71.591 -3.409 -9.144 1.00 1.00 H new ATOM 0 HG21 ILE A 64 72.952 -3.608 -11.907 1.00 1.00 H new ATOM 0 HG22 ILE A 64 74.261 -2.448 -11.576 1.00 1.00 H new ATOM 0 HG23 ILE A 64 73.792 -3.639 -10.338 1.00 1.00 H new ATOM 0 HD11 ILE A 64 69.357 -2.340 -9.000 1.00 1.00 H new ATOM 0 HD12 ILE A 64 70.640 -1.149 -8.680 1.00 1.00 H new ATOM 0 HD13 ILE A 64 69.827 -1.177 -10.263 1.00 1.00 H new ATOM 946 N THR A 65 75.082 0.167 -9.858 1.00 1.00 N ATOM 947 CA THR A 65 76.538 0.351 -10.128 1.00 1.00 C ATOM 948 C THR A 65 76.997 -0.690 -11.150 1.00 1.00 C ATOM 949 O THR A 65 78.056 -1.269 -11.030 1.00 1.00 O ATOM 950 CB THR A 65 77.354 0.216 -8.830 1.00 1.00 C ATOM 951 OG1 THR A 65 78.731 0.414 -9.116 1.00 1.00 O ATOM 952 CG2 THR A 65 77.149 -1.180 -8.239 1.00 1.00 C ATOM 0 H THR A 65 74.545 1.031 -9.776 1.00 1.00 H new ATOM 0 HA THR A 65 76.701 1.352 -10.528 1.00 1.00 H new ATOM 0 HB THR A 65 77.021 0.964 -8.111 1.00 1.00 H new ATOM 0 HG1 THR A 65 79.020 -0.232 -9.794 1.00 1.00 H new ATOM 0 HG21 THR A 65 77.727 -1.275 -7.320 1.00 1.00 H new ATOM 0 HG22 THR A 65 76.092 -1.331 -8.020 1.00 1.00 H new ATOM 0 HG23 THR A 65 77.481 -1.931 -8.956 1.00 1.00 H new ATOM 960 N VAL A 66 76.191 -0.930 -12.153 1.00 1.00 N ATOM 961 CA VAL A 66 76.551 -1.937 -13.191 1.00 1.00 C ATOM 962 C VAL A 66 76.525 -3.328 -12.558 1.00 1.00 C ATOM 963 O VAL A 66 75.877 -4.232 -13.047 1.00 1.00 O ATOM 964 CB VAL A 66 77.948 -1.644 -13.751 1.00 1.00 C ATOM 965 CG1 VAL A 66 78.141 -2.401 -15.067 1.00 1.00 C ATOM 966 CG2 VAL A 66 78.090 -0.141 -14.003 1.00 1.00 C ATOM 0 H VAL A 66 75.293 -0.467 -12.296 1.00 1.00 H new ATOM 0 HA VAL A 66 75.834 -1.889 -14.010 1.00 1.00 H new ATOM 0 HB VAL A 66 78.702 -1.967 -13.033 1.00 1.00 H new ATOM 0 HG11 VAL A 66 79.134 -2.192 -15.465 1.00 1.00 H new ATOM 0 HG12 VAL A 66 78.039 -3.472 -14.889 1.00 1.00 H new ATOM 0 HG13 VAL A 66 77.387 -2.079 -15.786 1.00 1.00 H new ATOM 0 HG21 VAL A 66 79.083 0.069 -14.401 1.00 1.00 H new ATOM 0 HG22 VAL A 66 77.336 0.180 -14.721 1.00 1.00 H new ATOM 0 HG23 VAL A 66 77.953 0.399 -13.066 1.00 1.00 H new ATOM 976 N ILE A 67 77.213 -3.499 -11.461 1.00 1.00 N ATOM 977 CA ILE A 67 77.224 -4.821 -10.772 1.00 1.00 C ATOM 978 C ILE A 67 77.070 -4.596 -9.270 1.00 1.00 C ATOM 979 O ILE A 67 78.042 -4.434 -8.559 1.00 1.00 O ATOM 980 CB ILE A 67 78.551 -5.537 -11.042 1.00 1.00 C ATOM 981 CG1 ILE A 67 78.676 -5.829 -12.539 1.00 1.00 C ATOM 982 CG2 ILE A 67 78.590 -6.852 -10.262 1.00 1.00 C ATOM 983 CD1 ILE A 67 79.830 -5.014 -13.124 1.00 1.00 C ATOM 0 H ILE A 67 77.771 -2.774 -11.010 1.00 1.00 H new ATOM 0 HA ILE A 67 76.404 -5.434 -11.146 1.00 1.00 H new ATOM 0 HB ILE A 67 79.378 -4.902 -10.724 1.00 1.00 H new ATOM 0 HG12 ILE A 67 78.850 -6.893 -12.699 1.00 1.00 H new ATOM 0 HG13 ILE A 67 77.745 -5.578 -13.048 1.00 1.00 H new ATOM 0 HG21 ILE A 67 79.534 -7.361 -10.454 1.00 1.00 H new ATOM 0 HG22 ILE A 67 78.500 -6.645 -9.196 1.00 1.00 H new ATOM 0 HG23 ILE A 67 77.764 -7.488 -10.579 1.00 1.00 H new ATOM 0 HD11 ILE A 67 79.919 -5.222 -14.190 1.00 1.00 H new ATOM 0 HD12 ILE A 67 79.636 -3.951 -12.977 1.00 1.00 H new ATOM 0 HD13 ILE A 67 80.759 -5.286 -12.623 1.00 1.00 H new ATOM 995 N CYS A 68 75.866 -4.586 -8.772 1.00 1.00 N ATOM 996 CA CYS A 68 75.680 -4.372 -7.311 1.00 1.00 C ATOM 997 C CYS A 68 76.020 -5.672 -6.569 1.00 1.00 C ATOM 998 O CYS A 68 75.505 -6.725 -6.887 1.00 1.00 O ATOM 999 CB CYS A 68 74.225 -3.970 -7.036 1.00 1.00 C ATOM 1000 SG CYS A 68 74.194 -2.397 -6.141 1.00 1.00 S ATOM 0 H CYS A 68 75.008 -4.716 -9.309 1.00 1.00 H new ATOM 0 HA CYS A 68 76.338 -3.576 -6.962 1.00 1.00 H new ATOM 0 HB2 CYS A 68 73.678 -3.878 -7.974 1.00 1.00 H new ATOM 0 HB3 CYS A 68 73.727 -4.743 -6.451 1.00 1.00 H new ATOM 1005 N PRO A 69 76.906 -5.611 -5.600 1.00 1.00 N ATOM 1006 CA PRO A 69 77.339 -6.811 -4.825 1.00 1.00 C ATOM 1007 C PRO A 69 76.188 -7.765 -4.480 1.00 1.00 C ATOM 1008 O PRO A 69 76.410 -8.888 -4.071 1.00 1.00 O ATOM 1009 CB PRO A 69 77.939 -6.213 -3.554 1.00 1.00 C ATOM 1010 CG PRO A 69 78.464 -4.877 -3.969 1.00 1.00 C ATOM 1011 CD PRO A 69 77.591 -4.394 -5.134 1.00 1.00 C ATOM 0 HA PRO A 69 78.032 -7.425 -5.401 1.00 1.00 H new ATOM 0 HB2 PRO A 69 77.188 -6.116 -2.770 1.00 1.00 H new ATOM 0 HB3 PRO A 69 78.734 -6.844 -3.157 1.00 1.00 H new ATOM 0 HG2 PRO A 69 78.424 -4.172 -3.139 1.00 1.00 H new ATOM 0 HG3 PRO A 69 79.508 -4.951 -4.274 1.00 1.00 H new ATOM 0 HD2 PRO A 69 76.879 -3.635 -4.810 1.00 1.00 H new ATOM 0 HD3 PRO A 69 78.194 -3.948 -5.925 1.00 1.00 H new ATOM 1019 N TRP A 70 74.966 -7.337 -4.632 1.00 1.00 N ATOM 1020 CA TRP A 70 73.825 -8.237 -4.300 1.00 1.00 C ATOM 1021 C TRP A 70 73.807 -9.424 -5.270 1.00 1.00 C ATOM 1022 O TRP A 70 73.440 -10.525 -4.909 1.00 1.00 O ATOM 1023 CB TRP A 70 72.505 -7.457 -4.405 1.00 1.00 C ATOM 1024 CG TRP A 70 71.597 -7.861 -3.289 1.00 1.00 C ATOM 1025 CD1 TRP A 70 71.431 -9.127 -2.841 1.00 1.00 C ATOM 1026 CD2 TRP A 70 70.728 -7.022 -2.472 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.518 -9.120 -1.804 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.055 -7.847 -1.538 1.00 1.00 C ATOM 1029 CE3 TRP A 70 70.461 -5.642 -2.451 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 69.149 -7.318 -0.615 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 69.552 -5.108 -1.526 1.00 1.00 C ATOM 1032 CH2 TRP A 70 68.898 -5.942 -0.610 1.00 1.00 C ATOM 0 H TRP A 70 74.708 -6.410 -4.969 1.00 1.00 H new ATOM 0 HA TRP A 70 73.941 -8.608 -3.282 1.00 1.00 H new ATOM 0 HB2 TRP A 70 72.699 -6.385 -4.360 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.029 -7.655 -5.365 1.00 1.00 H new ATOM 0 HD1 TRP A 70 71.931 -10.001 -3.231 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.222 -9.954 -1.297 1.00 1.00 H new ATOM 0 HE3 TRP A 70 70.959 -4.989 -3.152 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 68.647 -7.966 0.088 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 69.355 -4.046 -1.520 1.00 1.00 H new ATOM 0 HH2 TRP A 70 68.200 -5.523 0.100 1.00 1.00 H new ATOM 1043 N GLU A 71 74.199 -9.211 -6.497 1.00 1.00 N ATOM 1044 CA GLU A 71 74.201 -10.328 -7.489 1.00 1.00 C ATOM 1045 C GLU A 71 75.626 -10.861 -7.660 1.00 1.00 C ATOM 1046 O GLU A 71 75.844 -11.889 -8.270 1.00 1.00 O ATOM 1047 CB GLU A 71 73.684 -9.812 -8.834 1.00 1.00 C ATOM 1048 CG GLU A 71 72.358 -9.079 -8.625 1.00 1.00 C ATOM 1049 CD GLU A 71 71.355 -10.018 -7.952 1.00 1.00 C ATOM 1050 OE1 GLU A 71 71.448 -11.213 -8.180 1.00 1.00 O ATOM 1051 OE2 GLU A 71 70.512 -9.527 -7.219 1.00 1.00 O ATOM 0 H GLU A 71 74.518 -8.312 -6.857 1.00 1.00 H new ATOM 0 HA GLU A 71 73.556 -11.131 -7.133 1.00 1.00 H new ATOM 0 HB2 GLU A 71 74.416 -9.141 -9.283 1.00 1.00 H new ATOM 0 HB3 GLU A 71 73.547 -10.643 -9.526 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.513 -8.194 -8.009 1.00 1.00 H new ATOM 0 HG3 GLU A 71 71.965 -8.736 -9.582 1.00 1.00 H new ATOM 1058 N ALA A 72 76.599 -10.171 -7.129 1.00 1.00 N ATOM 1059 CA ALA A 72 78.007 -10.641 -7.266 1.00 1.00 C ATOM 1060 C ALA A 72 78.272 -11.791 -6.287 1.00 1.00 C ATOM 1061 O ALA A 72 78.416 -12.932 -6.680 1.00 1.00 O ATOM 1062 CB ALA A 72 78.963 -9.483 -6.964 1.00 1.00 C ATOM 0 H ALA A 72 76.480 -9.303 -6.607 1.00 1.00 H new ATOM 0 HA ALA A 72 78.169 -10.994 -8.285 1.00 1.00 H new ATOM 0 HB1 ALA A 72 79.993 -9.826 -7.064 1.00 1.00 H new ATOM 0 HB2 ALA A 72 78.782 -8.669 -7.666 1.00 1.00 H new ATOM 0 HB3 ALA A 72 78.796 -9.129 -5.947 1.00 1.00 H new ATOM 1068 N CYS A 73 78.348 -11.497 -5.017 1.00 1.00 N ATOM 1069 CA CYS A 73 78.615 -12.569 -4.017 1.00 1.00 C ATOM 1070 C CYS A 73 77.376 -13.456 -3.868 1.00 1.00 C ATOM 1071 O CYS A 73 77.454 -14.570 -3.391 1.00 1.00 O ATOM 1072 CB CYS A 73 78.959 -11.930 -2.665 1.00 1.00 C ATOM 1073 SG CYS A 73 80.451 -12.705 -1.994 1.00 1.00 S ATOM 0 H CYS A 73 78.237 -10.560 -4.629 1.00 1.00 H new ATOM 0 HA CYS A 73 79.453 -13.179 -4.354 1.00 1.00 H new ATOM 0 HB2 CYS A 73 79.116 -10.858 -2.787 1.00 1.00 H new ATOM 0 HB3 CYS A 73 78.128 -12.054 -1.970 1.00 1.00 H new ATOM 1078 N ASN A 74 76.232 -12.971 -4.271 1.00 1.00 N ATOM 1079 CA ASN A 74 74.989 -13.787 -4.151 1.00 1.00 C ATOM 1080 C ASN A 74 74.712 -14.076 -2.672 1.00 1.00 C ATOM 1081 O ASN A 74 73.789 -13.543 -2.089 1.00 1.00 O ATOM 1082 CB ASN A 74 75.165 -15.105 -4.912 1.00 1.00 C ATOM 1083 CG ASN A 74 73.791 -15.692 -5.240 1.00 1.00 C ATOM 1084 OD1 ASN A 74 72.867 -14.919 -5.742 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 73.555 -16.867 -5.037 1.00 1.00 N flip ATOM 0 H ASN A 74 76.105 -12.045 -4.678 1.00 1.00 H new ATOM 0 HA ASN A 74 74.149 -13.238 -4.576 1.00 1.00 H new ATOM 0 HB2 ASN A 74 75.728 -14.935 -5.830 1.00 1.00 H new ATOM 0 HB3 ASN A 74 75.740 -15.810 -4.311 1.00 1.00 H new ATOM 0 HD21 ASN A 74 74.277 -17.472 -4.645 1.00 1.00 H new ATOM 0 HD22 ASN A 74 72.635 -17.248 -5.259 1.00 1.00 H new ATOM 1092 N HIS A 75 75.508 -14.913 -2.061 1.00 1.00 N ATOM 1093 CA HIS A 75 75.298 -15.234 -0.620 1.00 1.00 C ATOM 1094 C HIS A 75 75.048 -13.936 0.155 1.00 1.00 C ATOM 1095 O HIS A 75 75.970 -13.279 0.596 1.00 1.00 O ATOM 1096 CB HIS A 75 76.550 -15.933 -0.074 1.00 1.00 C ATOM 1097 CG HIS A 75 76.609 -15.769 1.420 1.00 1.00 C ATOM 1098 ND1 HIS A 75 75.556 -16.134 2.246 1.00 1.00 N ATOM 1099 CD2 HIS A 75 77.587 -15.280 2.252 1.00 1.00 C ATOM 1100 CE1 HIS A 75 75.919 -15.863 3.512 1.00 1.00 C ATOM 1101 NE2 HIS A 75 77.146 -15.342 3.570 1.00 1.00 N ATOM 0 H HIS A 75 76.296 -15.389 -2.499 1.00 1.00 H new ATOM 0 HA HIS A 75 74.437 -15.892 -0.506 1.00 1.00 H new ATOM 0 HB2 HIS A 75 76.530 -16.992 -0.333 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.444 -15.510 -0.532 1.00 1.00 H new ATOM 0 HD2 HIS A 75 78.548 -14.906 1.933 1.00 1.00 H new ATOM 0 HE1 HIS A 75 75.295 -16.044 4.375 1.00 1.00 H new ATOM 0 HE2 HIS A 75 77.654 -15.050 4.405 1.00 1.00 H new ATOM 1110 N CYS A 76 73.809 -13.560 0.321 1.00 1.00 N ATOM 1111 CA CYS A 76 73.504 -12.302 1.060 1.00 1.00 C ATOM 1112 C CYS A 76 72.085 -12.375 1.629 1.00 1.00 C ATOM 1113 O CYS A 76 71.840 -12.006 2.760 1.00 1.00 O ATOM 1114 CB CYS A 76 73.608 -11.113 0.103 1.00 1.00 C ATOM 1115 SG CYS A 76 75.337 -10.871 -0.375 1.00 1.00 S ATOM 0 H CYS A 76 72.995 -14.069 -0.023 1.00 1.00 H new ATOM 0 HA CYS A 76 74.216 -12.177 1.876 1.00 1.00 H new ATOM 0 HB2 CYS A 76 72.997 -11.290 -0.782 1.00 1.00 H new ATOM 0 HB3 CYS A 76 73.223 -10.213 0.582 1.00 1.00 H new ATOM 1120 N GLU A 77 71.147 -12.845 0.853 1.00 1.00 N ATOM 1121 CA GLU A 77 69.746 -12.936 1.352 1.00 1.00 C ATOM 1122 C GLU A 77 69.639 -14.065 2.378 1.00 1.00 C ATOM 1123 O GLU A 77 68.854 -14.003 3.303 1.00 1.00 O ATOM 1124 CB GLU A 77 68.804 -13.222 0.180 1.00 1.00 C ATOM 1125 CG GLU A 77 67.372 -12.858 0.577 1.00 1.00 C ATOM 1126 CD GLU A 77 67.213 -11.337 0.580 1.00 1.00 C ATOM 1127 OE1 GLU A 77 67.740 -10.704 -0.320 1.00 1.00 O ATOM 1128 OE2 GLU A 77 66.568 -10.830 1.483 1.00 1.00 O ATOM 0 H GLU A 77 71.290 -13.169 -0.103 1.00 1.00 H new ATOM 0 HA GLU A 77 69.468 -11.992 1.821 1.00 1.00 H new ATOM 0 HB2 GLU A 77 69.108 -12.646 -0.694 1.00 1.00 H new ATOM 0 HB3 GLU A 77 68.860 -14.275 -0.097 1.00 1.00 H new ATOM 0 HG2 GLU A 77 66.665 -13.307 -0.121 1.00 1.00 H new ATOM 0 HG3 GLU A 77 67.144 -13.260 1.564 1.00 1.00 H new ATOM 1135 N LEU A 78 70.422 -15.098 2.222 1.00 1.00 N ATOM 1136 CA LEU A 78 70.364 -16.233 3.186 1.00 1.00 C ATOM 1137 C LEU A 78 70.340 -15.688 4.617 1.00 1.00 C ATOM 1138 O LEU A 78 69.805 -16.305 5.517 1.00 1.00 O ATOM 1139 CB LEU A 78 71.596 -17.123 2.996 1.00 1.00 C ATOM 1140 CG LEU A 78 71.453 -18.389 3.843 1.00 1.00 C ATOM 1141 CD1 LEU A 78 70.438 -19.329 3.190 1.00 1.00 C ATOM 1142 CD2 LEU A 78 72.809 -19.091 3.940 1.00 1.00 C ATOM 0 H LEU A 78 71.100 -15.205 1.467 1.00 1.00 H new ATOM 0 HA LEU A 78 69.462 -16.818 3.008 1.00 1.00 H new ATOM 0 HB2 LEU A 78 71.707 -17.388 1.944 1.00 1.00 H new ATOM 0 HB3 LEU A 78 72.496 -16.581 3.284 1.00 1.00 H new ATOM 0 HG LEU A 78 71.109 -18.121 4.842 1.00 1.00 H new ATOM 0 HD11 LEU A 78 70.336 -20.231 3.794 1.00 1.00 H new ATOM 0 HD12 LEU A 78 69.472 -18.829 3.119 1.00 1.00 H new ATOM 0 HD13 LEU A 78 70.781 -19.598 2.191 1.00 1.00 H new ATOM 0 HD21 LEU A 78 72.709 -19.993 4.543 1.00 1.00 H new ATOM 0 HD22 LEU A 78 73.152 -19.359 2.941 1.00 1.00 H new ATOM 0 HD23 LEU A 78 73.533 -18.422 4.405 1.00 1.00 H new ATOM 1154 N HIS A 79 70.913 -14.535 4.834 1.00 1.00 N ATOM 1155 CA HIS A 79 70.922 -13.950 6.205 1.00 1.00 C ATOM 1156 C HIS A 79 71.520 -14.958 7.189 1.00 1.00 C ATOM 1157 O HIS A 79 70.888 -15.926 7.564 1.00 1.00 O ATOM 1158 CB HIS A 79 69.485 -13.606 6.624 1.00 1.00 C ATOM 1159 CG HIS A 79 69.255 -12.129 6.462 1.00 1.00 C ATOM 1160 ND1 HIS A 79 68.462 -11.403 7.338 1.00 1.00 N ATOM 1161 CD2 HIS A 79 69.707 -11.226 5.529 1.00 1.00 C ATOM 1162 CE1 HIS A 79 68.459 -10.124 6.921 1.00 1.00 C ATOM 1163 NE2 HIS A 79 69.202 -9.964 5.824 1.00 1.00 N ATOM 0 H HIS A 79 71.376 -13.973 4.120 1.00 1.00 H new ATOM 0 HA HIS A 79 71.526 -13.043 6.209 1.00 1.00 H new ATOM 0 HB2 HIS A 79 68.774 -14.164 6.015 1.00 1.00 H new ATOM 0 HB3 HIS A 79 69.317 -13.899 7.660 1.00 1.00 H new ATOM 0 HD2 HIS A 79 70.354 -11.460 4.696 1.00 1.00 H new ATOM 0 HE1 HIS A 79 67.922 -9.326 7.413 1.00 1.00 H new ATOM 0 HE2 HIS A 79 69.365 -9.098 5.310 1.00 1.00 H new ATOM 1172 N GLU A 80 72.731 -14.734 7.615 1.00 1.00 N ATOM 1173 CA GLU A 80 73.371 -15.672 8.580 1.00 1.00 C ATOM 1174 C GLU A 80 74.394 -14.905 9.419 1.00 1.00 C ATOM 1175 O GLU A 80 74.565 -15.160 10.595 1.00 1.00 O ATOM 1176 CB GLU A 80 74.075 -16.796 7.816 1.00 1.00 C ATOM 1177 CG GLU A 80 74.492 -17.895 8.795 1.00 1.00 C ATOM 1178 CD GLU A 80 73.252 -18.652 9.273 1.00 1.00 C ATOM 1179 OE1 GLU A 80 72.831 -19.560 8.574 1.00 1.00 O ATOM 1180 OE2 GLU A 80 72.744 -18.312 10.328 1.00 1.00 O ATOM 0 H GLU A 80 73.307 -13.940 7.336 1.00 1.00 H new ATOM 0 HA GLU A 80 72.610 -16.103 9.231 1.00 1.00 H new ATOM 0 HB2 GLU A 80 73.410 -17.205 7.055 1.00 1.00 H new ATOM 0 HB3 GLU A 80 74.950 -16.405 7.297 1.00 1.00 H new ATOM 0 HG2 GLU A 80 75.187 -18.582 8.312 1.00 1.00 H new ATOM 0 HG3 GLU A 80 75.015 -17.459 9.646 1.00 1.00 H new ATOM 1187 N LEU A 81 75.072 -13.963 8.822 1.00 1.00 N ATOM 1188 CA LEU A 81 76.082 -13.171 9.580 1.00 1.00 C ATOM 1189 C LEU A 81 75.392 -11.995 10.271 1.00 1.00 C ATOM 1190 O LEU A 81 76.003 -10.985 10.558 1.00 1.00 O ATOM 1191 CB LEU A 81 77.165 -12.652 8.622 1.00 1.00 C ATOM 1192 CG LEU A 81 76.565 -11.606 7.680 1.00 1.00 C ATOM 1193 CD1 LEU A 81 77.676 -10.992 6.825 1.00 1.00 C ATOM 1194 CD2 LEU A 81 75.533 -12.275 6.769 1.00 1.00 C ATOM 0 H LEU A 81 74.970 -13.707 7.840 1.00 1.00 H new ATOM 0 HA LEU A 81 76.550 -13.807 10.331 1.00 1.00 H new ATOM 0 HB2 LEU A 81 77.987 -12.215 9.190 1.00 1.00 H new ATOM 0 HB3 LEU A 81 77.580 -13.479 8.045 1.00 1.00 H new ATOM 0 HG LEU A 81 76.082 -10.823 8.265 1.00 1.00 H new ATOM 0 HD11 LEU A 81 77.249 -10.247 6.154 1.00 1.00 H new ATOM 0 HD12 LEU A 81 78.413 -10.517 7.473 1.00 1.00 H new ATOM 0 HD13 LEU A 81 78.158 -11.774 6.239 1.00 1.00 H new ATOM 0 HD21 LEU A 81 75.104 -11.531 6.097 1.00 1.00 H new ATOM 0 HD22 LEU A 81 76.017 -13.057 6.184 1.00 1.00 H new ATOM 0 HD23 LEU A 81 74.742 -12.714 7.377 1.00 1.00 H new ATOM 1206 N ALA A 82 74.120 -12.118 10.539 1.00 1.00 N ATOM 1207 CA ALA A 82 73.387 -11.007 11.211 1.00 1.00 C ATOM 1208 C ALA A 82 73.927 -10.808 12.631 1.00 1.00 C ATOM 1209 O ALA A 82 73.220 -10.364 13.513 1.00 1.00 O ATOM 1210 CB ALA A 82 71.896 -11.347 11.280 1.00 1.00 C ATOM 0 H ALA A 82 73.557 -12.940 10.322 1.00 1.00 H new ATOM 0 HA ALA A 82 73.529 -10.090 10.640 1.00 1.00 H new ATOM 0 HB1 ALA A 82 71.360 -10.535 11.771 1.00 1.00 H new ATOM 0 HB2 ALA A 82 71.506 -11.481 10.271 1.00 1.00 H new ATOM 0 HB3 ALA A 82 71.759 -12.268 11.847 1.00 1.00 H new ATOM 1216 N GLN A 83 75.171 -11.127 12.864 1.00 1.00 N ATOM 1217 CA GLN A 83 75.743 -10.946 14.228 1.00 1.00 C ATOM 1218 C GLN A 83 75.544 -9.493 14.667 1.00 1.00 C ATOM 1219 O GLN A 83 75.471 -9.192 15.842 1.00 1.00 O ATOM 1220 CB GLN A 83 77.241 -11.279 14.197 1.00 1.00 C ATOM 1221 CG GLN A 83 77.449 -12.741 14.596 1.00 1.00 C ATOM 1222 CD GLN A 83 77.297 -12.884 16.112 1.00 1.00 C ATOM 1223 OE1 GLN A 83 77.948 -12.189 16.867 1.00 1.00 O ATOM 1224 NE2 GLN A 83 76.459 -13.761 16.592 1.00 1.00 N ATOM 0 H GLN A 83 75.815 -11.505 12.169 1.00 1.00 H new ATOM 0 HA GLN A 83 75.241 -11.609 14.933 1.00 1.00 H new ATOM 0 HB2 GLN A 83 77.643 -11.103 13.199 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.784 -10.624 14.879 1.00 1.00 H new ATOM 0 HG2 GLN A 83 76.724 -13.375 14.086 1.00 1.00 H new ATOM 0 HG3 GLN A 83 78.439 -13.076 14.286 1.00 1.00 H new ATOM 0 HE21 GLN A 83 75.913 -14.344 15.958 1.00 1.00 H new ATOM 0 HE22 GLN A 83 76.350 -13.863 17.601 1.00 1.00 H new ATOM 1233 N TYR A 84 75.450 -8.591 13.730 1.00 1.00 N ATOM 1234 CA TYR A 84 75.248 -7.159 14.089 1.00 1.00 C ATOM 1235 C TYR A 84 73.755 -6.894 14.277 1.00 1.00 C ATOM 1236 O TYR A 84 73.323 -6.411 15.305 1.00 1.00 O ATOM 1237 CB TYR A 84 75.780 -6.269 12.962 1.00 1.00 C ATOM 1238 CG TYR A 84 77.285 -6.372 12.905 1.00 1.00 C ATOM 1239 CD1 TYR A 84 77.890 -7.552 12.456 1.00 1.00 C ATOM 1240 CD2 TYR A 84 78.076 -5.287 13.303 1.00 1.00 C ATOM 1241 CE1 TYR A 84 79.286 -7.647 12.403 1.00 1.00 C ATOM 1242 CE2 TYR A 84 79.472 -5.382 13.250 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.077 -6.562 12.801 1.00 1.00 C ATOM 1244 OH TYR A 84 81.453 -6.656 12.749 1.00 1.00 O ATOM 0 H TYR A 84 75.504 -8.784 12.730 1.00 1.00 H new ATOM 0 HA TYR A 84 75.782 -6.936 15.012 1.00 1.00 H new ATOM 0 HB2 TYR A 84 75.348 -6.574 12.009 1.00 1.00 H new ATOM 0 HB3 TYR A 84 75.482 -5.234 13.130 1.00 1.00 H new ATOM 0 HD1 TYR A 84 77.280 -8.389 12.150 1.00 1.00 H new ATOM 0 HD2 TYR A 84 77.609 -4.377 13.651 1.00 1.00 H new ATOM 0 HE1 TYR A 84 79.753 -8.557 12.055 1.00 1.00 H new ATOM 0 HE2 TYR A 84 80.082 -4.545 13.556 1.00 1.00 H new ATOM 0 HH TYR A 84 81.850 -5.815 13.059 1.00 1.00 H new ATOM 1254 N GLY A 85 72.965 -7.207 13.287 1.00 1.00 N ATOM 1255 CA GLY A 85 71.496 -6.977 13.397 1.00 1.00 C ATOM 1256 C GLY A 85 70.955 -6.489 12.052 1.00 1.00 C ATOM 1257 O GLY A 85 69.871 -6.853 11.640 1.00 1.00 O ATOM 0 H GLY A 85 73.274 -7.613 12.404 1.00 1.00 H new ATOM 0 HA2 GLY A 85 70.994 -7.899 13.690 1.00 1.00 H new ATOM 0 HA3 GLY A 85 71.289 -6.240 14.173 1.00 1.00 H new ATOM 1261 N ILE A 86 71.703 -5.667 11.363 1.00 1.00 N ATOM 1262 CA ILE A 86 71.232 -5.152 10.041 1.00 1.00 C ATOM 1263 C ILE A 86 72.052 -5.798 8.922 1.00 1.00 C ATOM 1264 O ILE A 86 71.511 -6.398 8.013 1.00 1.00 O ATOM 1265 CB ILE A 86 71.395 -3.620 9.994 1.00 1.00 C ATOM 1266 CG1 ILE A 86 72.215 -3.159 11.201 1.00 1.00 C ATOM 1267 CG2 ILE A 86 70.017 -2.957 10.033 1.00 1.00 C ATOM 1268 CD1 ILE A 86 72.403 -1.642 11.142 1.00 1.00 C ATOM 0 H ILE A 86 72.619 -5.330 11.658 1.00 1.00 H new ATOM 0 HA ILE A 86 70.180 -5.402 9.906 1.00 1.00 H new ATOM 0 HB ILE A 86 71.907 -3.338 9.074 1.00 1.00 H new ATOM 0 HG12 ILE A 86 71.709 -3.438 12.125 1.00 1.00 H new ATOM 0 HG13 ILE A 86 73.185 -3.656 11.206 1.00 1.00 H new ATOM 0 HG21 ILE A 86 70.133 -1.874 10.000 1.00 1.00 H new ATOM 0 HG22 ILE A 86 69.431 -3.286 9.175 1.00 1.00 H new ATOM 0 HG23 ILE A 86 69.504 -3.239 10.952 1.00 1.00 H new ATOM 0 HD11 ILE A 86 72.987 -1.314 12.002 1.00 1.00 H new ATOM 0 HD12 ILE A 86 72.927 -1.376 10.224 1.00 1.00 H new ATOM 0 HD13 ILE A 86 71.429 -1.154 11.158 1.00 1.00 H new ATOM 1280 N CYS A 87 73.352 -5.684 8.974 1.00 1.00 N ATOM 1281 CA CYS A 87 74.188 -6.299 7.905 1.00 1.00 C ATOM 1282 C CYS A 87 74.354 -7.794 8.190 1.00 1.00 C ATOM 1283 CB CYS A 87 75.567 -5.629 7.873 1.00 1.00 C ATOM 1284 SG CYS A 87 75.409 -3.887 8.337 1.00 1.00 S ATOM 0 H CYS A 87 73.868 -5.195 9.706 1.00 1.00 H new ATOM 0 HA CYS A 87 73.700 -6.160 6.940 1.00 1.00 H new ATOM 0 HB2 CYS A 87 76.245 -6.138 8.558 1.00 1.00 H new ATOM 0 HB3 CYS A 87 75.999 -5.712 6.876 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 55.766 -2.348 4.347 1.00 1.00 C HETATM 1291 O1G RCY A 110 53.908 -5.572 1.588 1.00 1.00 O HETATM 1292 O1H RCY A 110 56.616 -1.737 1.079 1.00 1.00 O HETATM 1293 O1J RCY A 110 53.683 -4.274 5.357 1.00 1.00 O HETATM 1294 C1L RCY A 110 53.805 -3.635 0.096 1.00 1.00 C HETATM 1295 C1M RCY A 110 56.405 -5.778 3.113 1.00 1.00 C HETATM 1296 C1P RCY A 110 54.372 -4.488 1.238 1.00 1.00 C HETATM 1297 C1Q RCY A 110 55.644 -2.486 1.159 1.00 1.00 C HETATM 1298 N1R RCY A 110 55.584 -3.823 1.888 1.00 1.00 N HETATM 1299 C1S RCY A 110 54.276 -2.248 0.546 1.00 1.00 C HETATM 1300 C1U RCY A 110 56.507 -4.352 2.988 1.00 1.00 C HETATM 1301 C1V RCY A 110 57.226 -4.130 5.406 1.00 1.00 C HETATM 1302 N1V RCY A 110 54.899 -4.678 4.658 1.00 1.00 N HETATM 1303 C1W RCY A 110 55.217 -6.041 4.047 1.00 1.00 C HETATM 1304 C1X RCY A 110 56.134 -3.833 4.376 1.00 1.00 C HETATM 1305 C1Y RCY A 110 55.603 -7.041 5.140 1.00 1.00 C HETATM 1306 C1Z RCY A 110 53.998 -6.537 3.269 1.00 1.00 C HETATM 0 H1ZB RCY A 110 53.703 -5.785 2.537 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 54.247 -7.466 2.756 1.00 1.00 H new HETATM 0 H1YB RCY A 110 55.907 -7.982 4.681 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.430 -6.639 5.725 1.00 1.00 H new HETATM 0 H1VB RCY A 110 58.123 -3.561 5.160 1.00 1.00 H new HETATM 0 H1VA RCY A 110 56.877 -3.846 6.399 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.246 -6.244 2.140 1.00 1.00 H new HETATM 0 H1LA RCY A 110 54.209 -3.918 -0.876 1.00 1.00 H new HETATM 0 H1CB RCY A 110 56.615 -1.770 3.982 1.00 1.00 H new HETATM 0 H1CA RCY A 110 54.913 -2.197 3.685 1.00 1.00 H new HETATM 0 H1Z RCY A 110 53.173 -6.714 3.959 1.00 1.00 H new HETATM 0 H1Y RCY A 110 54.747 -7.215 5.793 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.457 -5.195 5.394 1.00 1.00 H new HETATM 0 H1U RCY A 110 57.501 -4.018 2.689 1.00 1.00 H new HETATM 0 H1S RCY A 110 53.588 -1.812 1.270 1.00 1.00 H new HETATM 0 H1M RCY A 110 57.323 -6.200 3.522 1.00 1.00 H new HETATM 0 H1L RCY A 110 52.720 -3.704 0.023 1.00 1.00 H new HETATM 0 H1C RCY A 110 55.507 -2.018 5.353 1.00 1.00 H new HETATM 1309 C1C RCY A 121 62.466 1.039 -3.071 1.00 1.00 C HETATM 1310 O1G RCY A 121 61.252 2.786 -2.731 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.907 5.706 -3.375 1.00 1.00 O HETATM 1312 O1J RCY A 121 60.898 1.670 -5.564 1.00 1.00 O HETATM 1313 C1L RCY A 121 61.688 5.098 -2.057 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.456 3.094 -5.419 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.022 3.744 -2.698 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.960 5.102 -2.873 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.431 3.735 -3.290 1.00 1.00 N HETATM 1318 C1S RCY A 121 63.101 5.584 -1.718 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.137 2.643 -4.095 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.064 0.232 -4.866 1.00 1.00 C HETATM 1321 N1V RCY A 121 62.322 1.950 -5.400 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.204 2.845 -6.268 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.258 1.415 -4.325 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.570 2.133 -7.573 1.00 1.00 C HETATM 1325 C1Z RCY A 121 62.461 4.150 -6.558 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.157 4.612 -5.619 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.118 4.830 -7.100 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.265 2.751 -8.142 1.00 1.00 H new HETATM 0 H1YA RCY A 121 64.038 1.175 -7.346 1.00 1.00 H new HETATM 0 H1VB RCY A 121 64.768 -0.106 -4.106 1.00 1.00 H new HETATM 0 H1VA RCY A 121 63.387 -0.583 -5.122 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.721 4.151 -5.417 1.00 1.00 H new HETATM 0 H1LA RCY A 121 61.170 5.768 -2.743 1.00 1.00 H new HETATM 0 H1CB RCY A 121 63.157 0.817 -2.257 1.00 1.00 H new HETATM 0 H1CA RCY A 121 61.823 1.871 -2.784 1.00 1.00 H new HETATM 0 H1Z RCY A 121 61.578 3.940 -7.162 1.00 1.00 H new HETATM 0 H1Y RCY A 121 62.668 1.965 -8.161 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.612 0.541 -5.756 1.00 1.00 H new HETATM 0 H1U RCY A 121 65.019 2.400 -3.503 1.00 1.00 H new HETATM 0 H1S RCY A 121 63.445 5.172 -0.769 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.312 2.551 -5.819 1.00 1.00 H new HETATM 0 H1L RCY A 121 61.058 4.997 -1.173 1.00 1.00 H new HETATM 0 H1C RCY A 121 61.854 0.161 -3.277 1.00 1.00 H new HETATM 1328 C1C RCY A 130 81.523 6.650 -12.888 1.00 1.00 C HETATM 1329 O1G RCY A 130 81.260 3.487 -11.204 1.00 1.00 O HETATM 1330 O1H RCY A 130 83.183 7.001 -8.703 1.00 1.00 O HETATM 1331 O1J RCY A 130 79.740 4.265 -13.337 1.00 1.00 O HETATM 1332 C1L RCY A 130 83.316 3.678 -9.890 1.00 1.00 C HETATM 1333 C1M RCY A 130 79.359 6.027 -9.952 1.00 1.00 C HETATM 1334 C1P RCY A 130 82.013 4.182 -10.524 1.00 1.00 C HETATM 1335 C1Q RCY A 130 83.035 6.036 -9.451 1.00 1.00 C HETATM 1336 N1R RCY A 130 81.766 5.656 -10.205 1.00 1.00 N HETATM 1337 C1S RCY A 130 84.088 4.998 -9.793 1.00 1.00 C HETATM 1338 C1U RCY A 130 80.561 6.534 -10.549 1.00 1.00 C HETATM 1339 C1V RCY A 130 79.244 7.650 -12.401 1.00 1.00 C HETATM 1340 N1V RCY A 130 79.613 5.180 -12.206 1.00 1.00 N HETATM 1341 C1W RCY A 130 78.811 4.973 -10.923 1.00 1.00 C HETATM 1342 C1X RCY A 130 80.250 6.553 -12.045 1.00 1.00 C HETATM 1343 C1Y RCY A 130 77.319 5.203 -11.181 1.00 1.00 C HETATM 1344 C1Z RCY A 130 79.056 3.557 -10.403 1.00 1.00 C HETATM 0 H1ZB RCY A 130 80.127 3.394 -10.283 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 78.560 3.432 -9.440 1.00 1.00 H new HETATM 0 H1YB RCY A 130 76.772 5.135 -10.240 1.00 1.00 H new HETATM 0 H1YA RCY A 130 77.173 6.192 -11.615 1.00 1.00 H new HETATM 0 H1MA RCY A 130 79.564 5.588 -8.976 1.00 1.00 H new HETATM 0 H1LA RCY A 130 83.155 3.216 -8.916 1.00 1.00 H new HETATM 0 H1CB RCY A 130 82.056 7.567 -12.638 1.00 1.00 H new HETATM 0 H1CA RCY A 130 82.162 5.791 -12.682 1.00 1.00 H new HETATM 0 H1Z RCY A 130 78.656 2.834 -11.114 1.00 1.00 H new HETATM 0 H1Y RCY A 130 76.948 4.446 -11.872 1.00 1.00 H new HETATM 0 H1S RCY A 130 84.587 5.235 -10.733 1.00 1.00 H new HETATM 0 H1M RCY A 130 78.635 6.826 -9.796 1.00 1.00 H new HETATM 0 H1L RCY A 130 83.825 2.941 -10.512 1.00 1.00 H new HETATM 0 H1C RCY A 130 81.259 6.661 -13.946 1.00 1.00 H new HETATM 1347 C1C RCY A 138 84.753 2.951 2.011 1.00 1.00 C HETATM 1348 O1G RCY A 138 81.909 0.663 5.055 1.00 1.00 O HETATM 1349 O1H RCY A 138 86.302 2.377 4.810 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.262 1.617 0.970 1.00 1.00 O HETATM 1351 C1L RCY A 138 84.101 -0.256 5.639 1.00 1.00 C HETATM 1352 C1M RCY A 138 81.901 3.462 4.312 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.131 0.798 5.089 1.00 1.00 C HETATM 1354 C1Q RCY A 138 85.330 1.626 4.757 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.872 2.036 4.587 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.362 0.111 4.850 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.307 3.353 4.050 1.00 1.00 C HETATM 1358 C1V RCY A 138 83.116 4.887 2.045 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.287 2.525 2.113 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.194 2.742 3.158 1.00 1.00 C HETATM 1361 C1X RCY A 138 83.409 3.466 2.530 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.072 3.613 2.585 1.00 1.00 C HETATM 1363 C1Z RCY A 138 80.649 1.384 3.601 1.00 1.00 C HETATM 0 H1YB RCY A 138 79.343 3.828 3.366 1.00 1.00 H new HETATM 0 H1VB RCY A 138 83.898 5.560 2.397 1.00 1.00 H new HETATM 0 H1VA RCY A 138 83.089 4.901 0.955 1.00 1.00 H new HETATM 0 H1LA RCY A 138 84.243 -0.171 6.716 1.00 1.00 H new HETATM 0 H1CB RCY A 138 85.561 3.534 2.452 1.00 1.00 H new HETATM 0 H1CA RCY A 138 84.871 1.903 2.285 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.583 3.084 1.767 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.153 5.214 2.436 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.896 4.122 4.549 1.00 1.00 H new HETATM 0 H1S RCY A 138 85.358 -0.347 3.861 1.00 1.00 H new HETATM 0 H1M RCY A 138 81.595 4.507 4.365 1.00 1.00 H new HETATM 0 H1L RCY A 138 83.767 -1.274 5.441 1.00 1.00 H new HETATM 0 H1C RCY A 138 84.786 3.049 0.926 1.00 1.00 H new HETATM 1366 C1C RCY A 150 80.910 -0.260 4.817 1.00 1.00 C HETATM 1367 O1G RCY A 150 79.406 1.642 4.673 1.00 1.00 O HETATM 1368 O1H RCY A 150 82.952 4.224 6.421 1.00 1.00 O HETATM 1369 O1J RCY A 150 79.926 0.741 2.153 1.00 1.00 O HETATM 1370 C1L RCY A 150 79.488 3.592 6.148 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.174 2.324 3.440 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.079 2.462 5.295 1.00 1.00 C HETATM 1373 C1Q RCY A 150 81.898 3.600 6.307 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.606 2.481 5.315 1.00 1.00 N HETATM 1375 C1S RCY A 150 80.642 3.805 7.135 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.597 1.608 4.542 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.968 -0.609 3.377 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.231 1.070 2.719 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.194 2.168 2.270 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.935 0.396 3.889 1.00 1.00 C HETATM 1381 C1Y RCY A 150 82.936 1.742 1.000 1.00 1.00 C HETATM 1382 C1Z RCY A 150 81.408 3.456 2.028 1.00 1.00 C HETATM 0 H1ZA RCY A 150 82.099 4.266 1.795 1.00 1.00 H new HETATM 0 H1YB RCY A 150 83.678 2.498 0.741 1.00 1.00 H new HETATM 0 H1YA RCY A 150 83.435 0.788 1.173 1.00 1.00 H new HETATM 0 H1VB RCY A 150 83.502 -1.044 4.222 1.00 1.00 H new HETATM 0 H1VA RCY A 150 82.463 -1.399 2.822 1.00 1.00 H new HETATM 0 H1LA RCY A 150 79.268 4.485 5.563 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.132 0.461 5.067 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.225 1.636 0.181 1.00 1.00 H new HETATM 0 H1V RCY A 150 83.676 -0.101 2.722 1.00 1.00 H new HETATM 0 H1S RCY A 150 80.592 3.096 7.962 1.00 1.00 H new HETATM 0 H1L RCY A 150 78.562 3.300 6.644 1.00 1.00 H new HETATM 0 H1C RCY A 150 80.462 -1.118 4.316 1.00 1.00 H new HETATM 1385 C1C RCY A 160 76.805 3.698 -3.547 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.923 5.801 1.098 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.902 5.573 -2.524 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.538 0.709 -3.292 1.00 1.00 O HETATM 1389 C1L RCY A 160 75.348 7.402 0.128 1.00 1.00 C HETATM 1390 C1M RCY A 160 75.356 2.758 -0.274 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.095 6.066 0.229 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.743 5.970 -1.719 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.682 5.106 -0.886 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.039 7.418 -1.373 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.098 3.652 -1.116 1.00 1.00 C HETATM 1396 C1V RCY A 160 74.353 3.480 -2.942 1.00 1.00 C HETATM 1397 N1V RCY A 160 75.971 1.664 -2.345 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.426 1.381 -0.947 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.793 3.165 -2.531 1.00 1.00 C HETATM 1400 C1Y RCY A 160 74.032 0.753 -1.033 1.00 1.00 C HETATM 1401 C1Z RCY A 160 76.391 0.451 -0.212 1.00 1.00 C HETATM 0 H1YB RCY A 160 73.623 0.635 -0.029 1.00 1.00 H new HETATM 0 H1YA RCY A 160 73.377 1.399 -1.618 1.00 1.00 H new HETATM 0 H1VB RCY A 160 74.224 4.560 -3.018 1.00 1.00 H new HETATM 0 H1VA RCY A 160 74.141 3.021 -3.908 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.782 2.724 0.729 1.00 1.00 H new HETATM 0 H1LA RCY A 160 74.446 7.423 0.740 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.780 4.788 -3.548 1.00 1.00 H new HETATM 0 H1CA RCY A 160 77.805 3.358 -3.277 1.00 1.00 H new HETATM 0 H1Z RCY A 160 76.418 -0.516 -0.714 1.00 1.00 H new HETATM 0 H1V RCY A 160 73.666 3.084 -2.194 1.00 1.00 H new HETATM 0 H1U RCY A 160 77.169 3.643 -0.911 1.00 1.00 H new HETATM 0 H1S RCY A 160 75.884 7.798 -1.948 1.00 1.00 H new HETATM 0 H1M RCY A 160 74.323 3.089 -0.170 1.00 1.00 H new HETATM 0 H1L RCY A 160 75.962 8.248 0.437 1.00 1.00 H new HETATM 0 H1C RCY A 160 76.552 3.328 -4.541 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.466 -0.481 -1.495 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.745 -5.287 -2.669 1.00 1.00 O HETATM 1406 O1H RCY A 168 74.380 -1.420 -3.309 1.00 1.00 O HETATM 1407 O1J RCY A 168 70.496 -0.044 -1.733 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.872 -4.331 -4.620 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.580 -3.446 -0.334 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.415 -4.377 -3.157 1.00 1.00 C HETATM 1411 C1Q RCY A 168 73.560 -2.323 -3.470 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.896 -3.153 -2.379 1.00 1.00 N HETATM 1413 C1S RCY A 168 73.022 -2.817 -4.801 1.00 1.00 C HETATM 1414 C1U RCY A 168 72.754 -2.834 -0.889 1.00 1.00 C HETATM 1415 C1V RCY A 168 72.708 -1.010 0.866 1.00 1.00 C HETATM 1416 N1V RCY A 168 71.103 -1.182 -1.049 1.00 1.00 N HETATM 1417 C1W RCY A 168 70.423 -2.476 -0.606 1.00 1.00 C HETATM 1418 C1X RCY A 168 72.555 -1.343 -0.619 1.00 1.00 C HETATM 1419 C1Y RCY A 168 69.606 -2.243 0.668 1.00 1.00 C HETATM 1420 C1Z RCY A 168 69.527 -2.983 -1.736 1.00 1.00 C HETATM 0 H1ZB RCY A 168 70.115 -3.086 -2.648 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 69.110 -3.952 -1.462 1.00 1.00 H new HETATM 0 H1YB RCY A 168 69.197 -3.191 1.017 1.00 1.00 H new HETATM 0 H1YA RCY A 168 70.248 -1.819 1.440 1.00 1.00 H new HETATM 0 H1VB RCY A 168 73.739 -1.183 1.173 1.00 1.00 H new HETATM 0 H1VA RCY A 168 72.451 0.036 1.033 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.392 -4.416 -0.795 1.00 1.00 H new HETATM 0 H1LA RCY A 168 73.808 -4.865 -4.782 1.00 1.00 H new HETATM 0 H1CA RCY A 168 73.246 -0.671 -2.546 1.00 1.00 H new HETATM 0 H1Z RCY A 168 68.717 -2.273 -1.904 1.00 1.00 H new HETATM 0 H1Y RCY A 168 68.790 -1.552 0.456 1.00 1.00 H new HETATM 0 H1V RCY A 168 72.043 -1.645 1.452 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.679 -3.203 -0.445 1.00 1.00 H new HETATM 0 H1S RCY A 168 72.067 -2.350 -5.040 1.00 1.00 H new HETATM 0 H1M RCY A 168 71.700 -3.619 0.735 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.137 -4.762 -5.300 1.00 1.00 H new HETATM 1423 C1C RCY A 173 80.612 -6.297 -1.561 1.00 1.00 C HETATM 1424 O1G RCY A 173 82.497 -8.000 -2.287 1.00 1.00 O HETATM 1425 O1H RCY A 173 79.574 -10.796 0.150 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.686 -6.931 -1.236 1.00 1.00 O HETATM 1427 C1L RCY A 173 81.675 -10.278 -2.640 1.00 1.00 C HETATM 1428 C1M RCY A 173 80.001 -8.247 1.525 1.00 1.00 C HETATM 1429 C1P RCY A 173 81.829 -8.951 -1.885 1.00 1.00 C HETATM 1430 C1Q RCY A 173 80.517 -10.386 -0.524 1.00 1.00 C HETATM 1431 N1R RCY A 173 81.048 -8.958 -0.571 1.00 1.00 N HETATM 1432 C1S RCY A 173 81.372 -11.215 -1.465 1.00 1.00 C HETATM 1433 C1U RCY A 173 80.844 -7.830 0.441 1.00 1.00 C HETATM 1434 C1V RCY A 173 80.180 -5.409 0.774 1.00 1.00 C HETATM 1435 N1V RCY A 173 78.694 -7.170 -0.207 1.00 1.00 N HETATM 1436 C1W RCY A 173 78.558 -8.022 1.054 1.00 1.00 C HETATM 1437 C1X RCY A 173 80.115 -6.625 -0.152 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.754 -7.274 2.121 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.879 -9.343 0.694 1.00 1.00 C HETATM 0 H1ZB RCY A 173 78.433 -9.830 -0.108 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 77.860 -9.993 1.569 1.00 1.00 H new HETATM 0 H1YB RCY A 173 77.738 -7.859 3.041 1.00 1.00 H new HETATM 0 H1VB RCY A 173 81.211 -5.063 0.848 1.00 1.00 H new HETATM 0 H1VA RCY A 173 79.557 -4.611 0.370 1.00 1.00 H new HETATM 0 H1MA RCY A 173 80.172 -9.295 1.770 1.00 1.00 H new HETATM 0 H1LA RCY A 173 80.867 -10.251 -3.371 1.00 1.00 H new HETATM 0 H1CB RCY A 173 81.677 -6.069 -1.527 1.00 1.00 H new HETATM 0 H1CA RCY A 173 80.445 -7.153 -2.214 1.00 1.00 H new HETATM 0 H1V RCY A 173 79.818 -5.686 1.764 1.00 1.00 H new HETATM 0 H1U RCY A 173 81.853 -7.570 0.760 1.00 1.00 H new HETATM 0 H1S RCY A 173 82.288 -11.549 -0.978 1.00 1.00 H new HETATM 0 H1M RCY A 173 80.211 -7.671 2.426 1.00 1.00 H new HETATM 0 H1L RCY A 173 82.581 -10.561 -3.176 1.00 1.00 H new HETATM 0 H1C RCY A 173 80.069 -5.434 -1.947 1.00 1.00 H new HETATM 1442 C1C RCY A 176 76.624 -5.843 3.517 1.00 1.00 C HETATM 1443 O1G RCY A 176 77.490 -6.506 1.270 1.00 1.00 O HETATM 1444 O1H RCY A 176 73.439 -8.896 0.852 1.00 1.00 O HETATM 1445 O1J RCY A 176 77.204 -3.850 1.336 1.00 1.00 O HETATM 1446 C1L RCY A 176 76.902 -8.635 0.217 1.00 1.00 C HETATM 1447 C1M RCY A 176 73.676 -5.353 1.335 1.00 1.00 C HETATM 1448 C1P RCY A 176 76.638 -7.358 1.025 1.00 1.00 C HETATM 1449 C1Q RCY A 176 74.624 -8.614 1.017 1.00 1.00 C HETATM 1450 N1R RCY A 176 75.184 -7.277 1.487 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.805 -9.539 0.789 1.00 1.00 C HETATM 1452 C1U RCY A 176 74.465 -6.149 2.231 1.00 1.00 C HETATM 1453 C1V RCY A 176 74.714 -4.207 3.836 1.00 1.00 C HETATM 1454 N1V RCY A 176 75.876 -4.383 1.625 1.00 1.00 N HETATM 1455 C1W RCY A 176 74.626 -4.300 0.751 1.00 1.00 C HETATM 1456 C1X RCY A 176 75.429 -5.147 2.863 1.00 1.00 C HETATM 1457 C1Y RCY A 176 74.003 -2.904 0.840 1.00 1.00 C HETATM 1458 C1Z RCY A 176 75.002 -4.631 -0.694 1.00 1.00 C HETATM 0 H1ZB RCY A 176 75.497 -5.601 -0.728 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 74.101 -4.662 -1.306 1.00 1.00 H new HETATM 0 H1YB RCY A 176 73.069 -2.886 0.279 1.00 1.00 H new HETATM 0 H1YA RCY A 176 73.804 -2.660 1.884 1.00 1.00 H new HETATM 0 H1VB RCY A 176 74.351 -4.776 4.692 1.00 1.00 H new HETATM 0 H1VA RCY A 176 75.409 -3.441 4.179 1.00 1.00 H new HETATM 0 H1MA RCY A 176 73.244 -5.968 0.546 1.00 1.00 H new HETATM 0 H1LA RCY A 176 76.796 -8.479 -0.857 1.00 1.00 H new HETATM 0 H1CB RCY A 176 76.270 -6.516 4.298 1.00 1.00 H new HETATM 0 H1CA RCY A 176 77.169 -6.414 2.765 1.00 1.00 H new HETATM 0 H1Z RCY A 176 75.676 -3.866 -1.079 1.00 1.00 H new HETATM 0 H1Y RCY A 176 74.692 -2.171 0.421 1.00 1.00 H new HETATM 0 H1V RCY A 176 73.872 -3.733 3.332 1.00 1.00 H new HETATM 0 H1U RCY A 176 73.868 -6.662 2.985 1.00 1.00 H new HETATM 0 H1S RCY A 176 76.125 -10.010 1.719 1.00 1.00 H new HETATM 0 H1M RCY A 176 72.847 -4.880 1.861 1.00 1.00 H new HETATM 0 H1C RCY A 176 77.286 -5.095 3.955 1.00 1.00 H new HETATM 1461 C1C RCY A 187 76.531 2.059 5.894 1.00 1.00 C HETATM 1462 O1G RCY A 187 73.891 -0.825 4.500 1.00 1.00 O HETATM 1463 O1H RCY A 187 77.512 -2.020 7.286 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.779 3.239 3.420 1.00 1.00 O HETATM 1465 C1L RCY A 187 74.106 -2.342 6.408 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.169 -0.546 3.344 1.00 1.00 C HETATM 1467 C1P RCY A 187 74.608 -1.351 5.350 1.00 1.00 C HETATM 1468 C1Q RCY A 187 76.499 -2.070 6.590 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.109 -1.099 5.481 1.00 1.00 N HETATM 1470 C1S RCY A 187 75.402 -3.115 6.678 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.001 -0.127 4.706 1.00 1.00 C HETATM 1472 C1V RCY A 187 74.944 1.221 4.103 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.292 1.866 3.515 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.568 0.709 2.558 1.00 1.00 C HETATM 1475 C1X RCY A 187 76.394 1.270 4.590 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.716 0.845 1.293 1.00 1.00 C HETATM 1477 C1Z RCY A 187 79.056 0.694 2.206 1.00 1.00 C HETATM 0 H1YA RCY A 187 75.664 0.921 1.569 1.00 1.00 H new HETATM 0 H1VB RCY A 187 74.322 0.741 4.859 1.00 1.00 H new HETATM 0 H1VA RCY A 187 74.585 2.235 3.928 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.937 -1.316 3.265 1.00 1.00 H new HETATM 0 H1LA RCY A 187 73.724 -1.844 7.299 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.018 1.529 6.696 1.00 1.00 H new HETATM 0 H1CA RCY A 187 77.586 2.164 6.146 1.00 1.00 H new HETATM 0 H1V RCY A 187 74.891 0.652 3.175 1.00 1.00 H new HETATM 0 H1U RCY A 187 77.935 -0.113 5.267 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.550 -3.908 5.945 1.00 1.00 H new HETATM 0 H1M RCY A 187 76.247 -0.975 2.952 1.00 1.00 H new HETATM 0 H1L RCY A 187 73.308 -2.983 6.034 1.00 1.00 H new HETATM 0 H1C RCY A 187 76.087 3.047 5.770 1.00 1.00 H new