USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 187 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 RCY H1V : A 138 RCY C1V : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCYH1YB : A 150 RCY C1Y : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 150 RCYH1VA : A 150 RCY C1V : A 173 RCY C1P :(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 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 176 RCY O1G :(H bumps) USER MOD NoAdj-H: A 150 RCY H1V : A 150 RCY C1V : A 173 RCY N1R :(H bumps) USER MOD NoAdj-H: A 150 RCY H1U : A 150 RCY C1U : A 173 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 150 RCY H1M : A 150 RCY C1M : A 173 RCY C1M :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1CA : A 168 RCY C1C : A 176 RCY O1J :(H bumps) USER MOD NoAdj-H: A 168 RCY H1S : A 168 RCY C1S : A 160 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZB : A 173 RCY C1Z : A 150 RCY C1W :(H bumps) USER MOD NoAdj-H: A 173 RCYH1ZA : A 173 RCY C1Z : A 150 RCY C1M :(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 RCYH1MA : A 173 RCY C1M : A 150 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CB : A 173 RCY C1C : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1CA : A 173 RCY C1C : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 150 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 168 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 187 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VA : A 176 RCY C1V : A 187 RCY N1V :(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 RCYH1MA : A 176 RCY C1M : A 187 RCY O1H :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 173 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 168 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCY H1U : A 176 RCY C1U : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 187 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZA : A 187 RCY C1Z : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 176 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 176 RCY C1Y :(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 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 176 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 176 RCY C1U :(H bumps) USER MOD Set 1.1: A 1 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set 1.2: A 2 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.51) USER MOD Single : A 1 MET N :NH3+ 133:sc= -0.953 (180deg=-2.6!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 76:sc= 1.25 USER MOD Single : A 14 THR OG1 : rot -52:sc= 0.759 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 52:sc= 0.607 USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -1.76 (180deg=-2.43) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0128 (180deg=-0.157) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.0425 (180deg=-0.46) USER MOD Single : A 32 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.3!) USER MOD Single : A 34 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 37 GLN :FLIP amide:sc= -2.19 F(o=-3.4!,f=-2.2) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.132) USER MOD Single : A 40 SER OG : rot 54:sc= -0.075 USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -1.09 (180deg=-1.73) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= -0.0172 (180deg=-0.224) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -1.25 (180deg=-2.11!) USER MOD Single : A 48 GLN : amide:sc= -0.187 X(o=-0.19,f=0.16) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -57:sc= 1.12 USER MOD Single : A 74 ASN :FLIP amide:sc= -8.28! C(o=-17!,f=-8.3!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.15) USER MOD Single : A 83 GLN : amide:sc= -0.0061 X(o=-0.0061,f=-0.46) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.394 4.232 22.753 1.00 1.00 N ATOM 2 CA MET A 1 73.112 5.104 21.780 1.00 1.00 C ATOM 3 C MET A 1 74.615 5.049 22.059 1.00 1.00 C ATOM 4 O MET A 1 75.418 4.908 21.159 1.00 1.00 O ATOM 5 CB MET A 1 72.617 6.546 21.926 1.00 1.00 C ATOM 6 CG MET A 1 72.871 7.032 23.354 1.00 1.00 C ATOM 7 SD MET A 1 71.849 8.488 23.687 1.00 1.00 S ATOM 8 CE MET A 1 72.617 8.950 25.259 1.00 1.00 C ATOM 0 H1 MET A 1 71.581 4.747 23.146 1.00 1.00 H new ATOM 0 H2 MET A 1 72.060 3.374 22.269 1.00 1.00 H new ATOM 0 H3 MET A 1 73.040 3.966 23.523 1.00 1.00 H new ATOM 0 HA MET A 1 72.918 4.754 20.766 1.00 1.00 H new ATOM 0 HB2 MET A 1 73.131 7.192 21.214 1.00 1.00 H new ATOM 0 HB3 MET A 1 71.553 6.601 21.696 1.00 1.00 H new ATOM 0 HG2 MET A 1 72.638 6.240 24.066 1.00 1.00 H new ATOM 0 HG3 MET A 1 73.925 7.277 23.484 1.00 1.00 H new ATOM 0 HE1 MET A 1 71.946 9.607 25.812 1.00 1.00 H new ATOM 0 HE2 MET A 1 72.812 8.053 25.846 1.00 1.00 H new ATOM 0 HE3 MET A 1 73.556 9.469 25.067 1.00 1.00 H new ATOM 17 N ASN A 2 75.003 5.160 23.301 1.00 1.00 N ATOM 18 CA ASN A 2 76.454 5.114 23.637 1.00 1.00 C ATOM 19 C ASN A 2 76.898 3.657 23.780 1.00 1.00 C ATOM 20 O ASN A 2 77.890 3.242 23.215 1.00 1.00 O ATOM 21 CB ASN A 2 76.695 5.853 24.955 1.00 1.00 C ATOM 22 CG ASN A 2 76.513 7.357 24.739 1.00 1.00 C ATOM 23 OD1 ASN A 2 75.622 7.960 25.303 1.00 1.00 O ATOM 24 ND2 ASN A 2 77.327 7.992 23.940 1.00 1.00 N ATOM 0 H ASN A 2 74.377 5.281 24.097 1.00 1.00 H new ATOM 0 HA ASN A 2 77.027 5.592 22.842 1.00 1.00 H new ATOM 0 HB2 ASN A 2 76.000 5.498 25.716 1.00 1.00 H new ATOM 0 HB3 ASN A 2 77.701 5.647 25.321 1.00 1.00 H new ATOM 0 HD21 ASN A 2 77.215 8.995 23.789 1.00 1.00 H new ATOM 0 HD22 ASN A 2 78.075 7.486 23.466 1.00 1.00 H new ATOM 31 N LEU A 3 76.173 2.879 24.537 1.00 1.00 N ATOM 32 CA LEU A 3 76.555 1.450 24.720 1.00 1.00 C ATOM 33 C LEU A 3 76.834 0.811 23.356 1.00 1.00 C ATOM 34 O LEU A 3 76.719 1.445 22.326 1.00 1.00 O ATOM 35 CB LEU A 3 75.431 0.679 25.436 1.00 1.00 C ATOM 36 CG LEU A 3 74.068 1.166 24.942 1.00 1.00 C ATOM 37 CD1 LEU A 3 73.787 2.559 25.508 1.00 1.00 C ATOM 38 CD2 LEU A 3 74.074 1.230 23.413 1.00 1.00 C ATOM 0 H LEU A 3 75.333 3.171 25.036 1.00 1.00 H new ATOM 0 HA LEU A 3 77.455 1.404 25.333 1.00 1.00 H new ATOM 0 HB2 LEU A 3 75.535 -0.390 25.248 1.00 1.00 H new ATOM 0 HB3 LEU A 3 75.509 0.822 26.514 1.00 1.00 H new ATOM 0 HG LEU A 3 73.293 0.476 25.275 1.00 1.00 H new ATOM 0 HD11 LEU A 3 72.816 2.906 25.156 1.00 1.00 H new ATOM 0 HD12 LEU A 3 73.784 2.515 26.597 1.00 1.00 H new ATOM 0 HD13 LEU A 3 74.561 3.250 25.175 1.00 1.00 H new ATOM 0 HD21 LEU A 3 73.103 1.577 23.060 1.00 1.00 H new ATOM 0 HD22 LEU A 3 74.849 1.921 23.081 1.00 1.00 H new ATOM 0 HD23 LEU A 3 74.274 0.238 23.008 1.00 1.00 H new ATOM 50 N GLU A 4 77.201 -0.441 23.341 1.00 1.00 N ATOM 51 CA GLU A 4 77.489 -1.118 22.046 1.00 1.00 C ATOM 52 C GLU A 4 76.169 -1.481 21.355 1.00 1.00 C ATOM 53 O GLU A 4 75.175 -1.738 22.005 1.00 1.00 O ATOM 54 CB GLU A 4 78.293 -2.394 22.310 1.00 1.00 C ATOM 55 CG GLU A 4 79.705 -2.023 22.768 1.00 1.00 C ATOM 56 CD GLU A 4 79.643 -1.400 24.163 1.00 1.00 C ATOM 57 OE1 GLU A 4 79.550 -2.150 25.121 1.00 1.00 O ATOM 58 OE2 GLU A 4 79.689 -0.184 24.251 1.00 1.00 O ATOM 0 H GLU A 4 77.314 -1.024 24.170 1.00 1.00 H new ATOM 0 HA GLU A 4 78.063 -0.450 21.404 1.00 1.00 H new ATOM 0 HB2 GLU A 4 77.799 -2.997 23.072 1.00 1.00 H new ATOM 0 HB3 GLU A 4 78.340 -3.000 21.405 1.00 1.00 H new ATOM 0 HG2 GLU A 4 80.339 -2.910 22.782 1.00 1.00 H new ATOM 0 HG3 GLU A 4 80.154 -1.322 22.065 1.00 1.00 H new ATOM 65 N PRO A 5 76.157 -1.508 20.045 1.00 1.00 N ATOM 66 CA PRO A 5 74.941 -1.851 19.259 1.00 1.00 C ATOM 67 C PRO A 5 74.120 -2.972 19.916 1.00 1.00 C ATOM 68 O PRO A 5 74.474 -4.131 19.834 1.00 1.00 O ATOM 69 CB PRO A 5 75.516 -2.321 17.923 1.00 1.00 C ATOM 70 CG PRO A 5 76.791 -1.558 17.759 1.00 1.00 C ATOM 71 CD PRO A 5 77.302 -1.220 19.166 1.00 1.00 C ATOM 0 HA PRO A 5 74.253 -1.010 19.174 1.00 1.00 H new ATOM 0 HB2 PRO A 5 75.697 -3.396 17.928 1.00 1.00 H new ATOM 0 HB3 PRO A 5 74.827 -2.118 17.104 1.00 1.00 H new ATOM 0 HG2 PRO A 5 77.526 -2.150 17.215 1.00 1.00 H new ATOM 0 HG3 PRO A 5 76.624 -0.649 17.182 1.00 1.00 H new ATOM 0 HD2 PRO A 5 78.169 -1.825 19.431 1.00 1.00 H new ATOM 0 HD3 PRO A 5 77.607 -0.176 19.239 1.00 1.00 H new ATOM 79 N PRO A 6 73.035 -2.632 20.567 1.00 1.00 N ATOM 80 CA PRO A 6 72.164 -3.629 21.246 1.00 1.00 C ATOM 81 C PRO A 6 71.189 -4.303 20.274 1.00 1.00 C ATOM 82 O PRO A 6 70.760 -3.714 19.302 1.00 1.00 O ATOM 83 CB PRO A 6 71.409 -2.790 22.278 1.00 1.00 C ATOM 84 CG PRO A 6 71.325 -1.422 21.682 1.00 1.00 C ATOM 85 CD PRO A 6 72.520 -1.263 20.733 1.00 1.00 C ATOM 0 HA PRO A 6 72.736 -4.448 21.683 1.00 1.00 H new ATOM 0 HB2 PRO A 6 70.417 -3.199 22.468 1.00 1.00 H new ATOM 0 HB3 PRO A 6 71.935 -2.772 23.233 1.00 1.00 H new ATOM 0 HG2 PRO A 6 70.386 -1.295 21.142 1.00 1.00 H new ATOM 0 HG3 PRO A 6 71.350 -0.661 22.462 1.00 1.00 H new ATOM 0 HD2 PRO A 6 72.216 -0.834 19.778 1.00 1.00 H new ATOM 0 HD3 PRO A 6 73.277 -0.601 21.154 1.00 1.00 H new ATOM 93 N LYS A 7 70.841 -5.535 20.528 1.00 1.00 N ATOM 94 CA LYS A 7 69.898 -6.246 19.619 1.00 1.00 C ATOM 95 C LYS A 7 68.542 -5.539 19.630 1.00 1.00 C ATOM 96 O LYS A 7 67.584 -6.023 20.199 1.00 1.00 O ATOM 97 CB LYS A 7 69.723 -7.690 20.093 1.00 1.00 C ATOM 98 CG LYS A 7 71.095 -8.355 20.223 1.00 1.00 C ATOM 99 CD LYS A 7 70.917 -9.862 20.412 1.00 1.00 C ATOM 100 CE LYS A 7 72.244 -10.482 20.853 1.00 1.00 C ATOM 101 NZ LYS A 7 72.121 -11.967 20.858 1.00 1.00 N ATOM 0 H LYS A 7 71.169 -6.080 21.326 1.00 1.00 H new ATOM 0 HA LYS A 7 70.300 -6.241 18.606 1.00 1.00 H new ATOM 0 HB2 LYS A 7 69.206 -7.709 21.052 1.00 1.00 H new ATOM 0 HB3 LYS A 7 69.104 -8.243 19.386 1.00 1.00 H new ATOM 0 HG2 LYS A 7 71.692 -8.158 19.333 1.00 1.00 H new ATOM 0 HG3 LYS A 7 71.636 -7.933 21.070 1.00 1.00 H new ATOM 0 HD2 LYS A 7 70.147 -10.057 21.158 1.00 1.00 H new ATOM 0 HD3 LYS A 7 70.582 -10.319 19.481 1.00 1.00 H new ATOM 0 HE2 LYS A 7 73.043 -10.175 20.178 1.00 1.00 H new ATOM 0 HE3 LYS A 7 72.512 -10.125 21.848 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 73.023 -12.389 21.158 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 71.369 -12.251 21.518 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 71.885 -12.299 19.901 1.00 1.00 H new ATOM 115 N ALA A 8 68.452 -4.397 19.004 1.00 1.00 N ATOM 116 CA ALA A 8 67.157 -3.660 18.977 1.00 1.00 C ATOM 117 C ALA A 8 66.326 -4.144 17.787 1.00 1.00 C ATOM 118 O ALA A 8 65.145 -4.404 17.906 1.00 1.00 O ATOM 119 CB ALA A 8 67.426 -2.161 18.833 1.00 1.00 C ATOM 0 H ALA A 8 69.220 -3.943 18.510 1.00 1.00 H new ATOM 0 HA ALA A 8 66.613 -3.843 19.903 1.00 1.00 H new ATOM 0 HB1 ALA A 8 66.479 -1.622 18.813 1.00 1.00 H new ATOM 0 HB2 ALA A 8 68.023 -1.816 19.677 1.00 1.00 H new ATOM 0 HB3 ALA A 8 67.968 -1.976 17.906 1.00 1.00 H new ATOM 125 N GLU A 9 66.936 -4.263 16.639 1.00 1.00 N ATOM 126 CA GLU A 9 66.193 -4.728 15.433 1.00 1.00 C ATOM 127 C GLU A 9 64.986 -3.820 15.179 1.00 1.00 C ATOM 128 O GLU A 9 64.293 -3.961 14.191 1.00 1.00 O ATOM 129 CB GLU A 9 65.718 -6.169 15.644 1.00 1.00 C ATOM 130 CG GLU A 9 66.926 -7.072 15.901 1.00 1.00 C ATOM 131 CD GLU A 9 66.528 -8.533 15.678 1.00 1.00 C ATOM 132 OE1 GLU A 9 65.404 -8.877 16.004 1.00 1.00 O ATOM 133 OE2 GLU A 9 67.355 -9.282 15.185 1.00 1.00 O ATOM 0 H GLU A 9 67.923 -4.057 16.484 1.00 1.00 H new ATOM 0 HA GLU A 9 66.857 -4.688 14.569 1.00 1.00 H new ATOM 0 HB2 GLU A 9 65.029 -6.216 16.487 1.00 1.00 H new ATOM 0 HB3 GLU A 9 65.172 -6.515 14.767 1.00 1.00 H new ATOM 0 HG2 GLU A 9 67.744 -6.801 15.234 1.00 1.00 H new ATOM 0 HG3 GLU A 9 67.286 -6.934 16.920 1.00 1.00 H new ATOM 140 N CYS A 10 64.732 -2.882 16.052 1.00 1.00 N ATOM 141 CA CYS A 10 63.574 -1.967 15.841 1.00 1.00 C ATOM 142 C CYS A 10 63.773 -0.693 16.666 1.00 1.00 C ATOM 143 O CYS A 10 62.827 -0.107 17.154 1.00 1.00 O ATOM 144 CB CYS A 10 62.280 -2.658 16.283 1.00 1.00 C ATOM 145 SG CYS A 10 61.742 -3.818 15.002 1.00 1.00 S ATOM 0 H CYS A 10 65.274 -2.711 16.899 1.00 1.00 H new ATOM 0 HA CYS A 10 63.506 -1.713 14.783 1.00 1.00 H new ATOM 0 HB2 CYS A 10 62.441 -3.187 17.222 1.00 1.00 H new ATOM 0 HB3 CYS A 10 61.503 -1.915 16.465 1.00 1.00 H new ATOM 150 N ARG A 11 64.991 -0.256 16.826 1.00 1.00 N ATOM 151 CA ARG A 11 65.235 0.981 17.620 1.00 1.00 C ATOM 152 C ARG A 11 64.285 2.086 17.149 1.00 1.00 C ATOM 153 O ARG A 11 64.101 3.086 17.814 1.00 1.00 O ATOM 154 CB ARG A 11 66.683 1.435 17.426 1.00 1.00 C ATOM 155 CG ARG A 11 66.948 1.677 15.939 1.00 1.00 C ATOM 156 CD ARG A 11 68.457 1.740 15.692 1.00 1.00 C ATOM 157 NE ARG A 11 68.713 2.153 14.284 1.00 1.00 N ATOM 158 CZ ARG A 11 69.933 2.173 13.821 1.00 1.00 C ATOM 159 NH1 ARG A 11 70.929 1.831 14.593 1.00 1.00 N ATOM 160 NH2 ARG A 11 70.158 2.535 12.588 1.00 1.00 N ATOM 0 H ARG A 11 65.826 -0.700 16.443 1.00 1.00 H new ATOM 0 HA ARG A 11 65.058 0.776 18.676 1.00 1.00 H new ATOM 0 HB2 ARG A 11 66.868 2.348 17.992 1.00 1.00 H new ATOM 0 HB3 ARG A 11 67.367 0.678 17.810 1.00 1.00 H new ATOM 0 HG2 ARG A 11 66.505 0.878 15.345 1.00 1.00 H new ATOM 0 HG3 ARG A 11 66.478 2.608 15.622 1.00 1.00 H new ATOM 0 HD2 ARG A 11 68.920 2.448 16.380 1.00 1.00 H new ATOM 0 HD3 ARG A 11 68.909 0.767 15.885 1.00 1.00 H new ATOM 0 HE ARG A 11 67.935 2.420 13.681 1.00 1.00 H new ATOM 0 HH11 ARG A 11 70.753 1.548 15.557 1.00 1.00 H new ATOM 0 HH12 ARG A 11 71.883 1.846 14.232 1.00 1.00 H new ATOM 0 HH21 ARG A 11 69.380 2.803 11.985 1.00 1.00 H new ATOM 0 HH22 ARG A 11 71.112 2.550 12.227 1.00 1.00 H new ATOM 174 N SER A 12 63.679 1.910 16.006 1.00 1.00 N ATOM 175 CA SER A 12 62.739 2.947 15.490 1.00 1.00 C ATOM 176 C SER A 12 63.382 4.330 15.609 1.00 1.00 C ATOM 177 O SER A 12 64.590 4.464 15.624 1.00 1.00 O ATOM 178 CB SER A 12 61.447 2.914 16.308 1.00 1.00 C ATOM 179 OG SER A 12 60.946 1.585 16.340 1.00 1.00 O ATOM 0 H SER A 12 63.794 1.093 15.407 1.00 1.00 H new ATOM 0 HA SER A 12 62.514 2.742 14.443 1.00 1.00 H new ATOM 0 HB2 SER A 12 61.635 3.268 17.321 1.00 1.00 H new ATOM 0 HB3 SER A 12 60.707 3.583 15.869 1.00 1.00 H new ATOM 0 HG SER A 12 61.483 1.048 16.959 1.00 1.00 H new ATOM 185 N ALA A 13 62.583 5.359 15.693 1.00 1.00 N ATOM 186 CA ALA A 13 63.144 6.736 15.810 1.00 1.00 C ATOM 187 C ALA A 13 63.773 7.145 14.475 1.00 1.00 C ATOM 188 O ALA A 13 63.634 8.267 14.032 1.00 1.00 O ATOM 189 CB ALA A 13 64.207 6.766 16.914 1.00 1.00 C ATOM 0 H ALA A 13 61.564 5.306 15.686 1.00 1.00 H new ATOM 0 HA ALA A 13 62.346 7.434 16.062 1.00 1.00 H new ATOM 0 HB1 ALA A 13 64.616 7.773 16.998 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.754 6.478 17.863 1.00 1.00 H new ATOM 0 HB3 ALA A 13 65.008 6.069 16.667 1.00 1.00 H new ATOM 195 N THR A 14 64.469 6.245 13.836 1.00 1.00 N ATOM 196 CA THR A 14 65.112 6.578 12.535 1.00 1.00 C ATOM 197 C THR A 14 66.118 7.705 12.752 1.00 1.00 C ATOM 198 O THR A 14 66.621 8.292 11.815 1.00 1.00 O ATOM 199 CB THR A 14 64.046 7.025 11.528 1.00 1.00 C ATOM 200 OG1 THR A 14 63.772 8.406 11.713 1.00 1.00 O ATOM 201 CG2 THR A 14 62.766 6.216 11.744 1.00 1.00 C ATOM 0 H THR A 14 64.620 5.290 14.161 1.00 1.00 H new ATOM 0 HA THR A 14 65.623 5.698 12.143 1.00 1.00 H new ATOM 0 HB THR A 14 64.411 6.859 10.514 1.00 1.00 H new ATOM 0 HG1 THR A 14 63.573 8.576 12.657 1.00 1.00 H new ATOM 0 HG21 THR A 14 62.009 6.535 11.028 1.00 1.00 H new ATOM 0 HG22 THR A 14 62.977 5.156 11.602 1.00 1.00 H new ATOM 0 HG23 THR A 14 62.399 6.380 12.757 1.00 1.00 H new ATOM 209 N ARG A 15 66.416 8.010 13.987 1.00 1.00 N ATOM 210 CA ARG A 15 67.391 9.098 14.276 1.00 1.00 C ATOM 211 C ARG A 15 68.753 8.483 14.612 1.00 1.00 C ATOM 212 O ARG A 15 69.444 7.978 13.749 1.00 1.00 O ATOM 213 CB ARG A 15 66.890 9.927 15.463 1.00 1.00 C ATOM 214 CG ARG A 15 67.827 11.114 15.691 1.00 1.00 C ATOM 215 CD ARG A 15 67.080 12.219 16.441 1.00 1.00 C ATOM 216 NE ARG A 15 66.206 12.961 15.489 1.00 1.00 N ATOM 217 CZ ARG A 15 65.795 14.165 15.783 1.00 1.00 C ATOM 218 NH1 ARG A 15 66.149 14.717 16.911 1.00 1.00 N ATOM 219 NH2 ARG A 15 65.031 14.815 14.949 1.00 1.00 N ATOM 0 H ARG A 15 66.024 7.550 14.809 1.00 1.00 H new ATOM 0 HA ARG A 15 67.492 9.743 13.403 1.00 1.00 H new ATOM 0 HB2 ARG A 15 65.877 10.282 15.270 1.00 1.00 H new ATOM 0 HB3 ARG A 15 66.846 9.308 16.359 1.00 1.00 H new ATOM 0 HG2 ARG A 15 68.699 10.797 16.263 1.00 1.00 H new ATOM 0 HG3 ARG A 15 68.192 11.491 14.736 1.00 1.00 H new ATOM 0 HD2 ARG A 15 66.480 11.788 17.242 1.00 1.00 H new ATOM 0 HD3 ARG A 15 67.791 12.902 16.907 1.00 1.00 H new ATOM 0 HE ARG A 15 65.929 12.528 14.608 1.00 1.00 H new ATOM 0 HH11 ARG A 15 66.746 14.208 17.562 1.00 1.00 H new ATOM 0 HH12 ARG A 15 65.828 15.657 17.141 1.00 1.00 H new ATOM 0 HH21 ARG A 15 64.755 14.383 14.067 1.00 1.00 H new ATOM 0 HH22 ARG A 15 64.710 15.756 15.179 1.00 1.00 H new ATOM 233 N VAL A 16 69.144 8.520 15.856 1.00 1.00 N ATOM 234 CA VAL A 16 70.460 7.936 16.239 1.00 1.00 C ATOM 235 C VAL A 16 71.566 8.580 15.400 1.00 1.00 C ATOM 236 O VAL A 16 71.302 9.274 14.439 1.00 1.00 O ATOM 237 CB VAL A 16 70.435 6.426 15.988 1.00 1.00 C ATOM 238 CG1 VAL A 16 71.590 5.763 16.741 1.00 1.00 C ATOM 239 CG2 VAL A 16 69.107 5.850 16.485 1.00 1.00 C ATOM 0 H VAL A 16 68.610 8.929 16.623 1.00 1.00 H new ATOM 0 HA VAL A 16 70.653 8.125 17.295 1.00 1.00 H new ATOM 0 HB VAL A 16 70.540 6.234 14.920 1.00 1.00 H new ATOM 0 HG11 VAL A 16 71.572 4.688 16.562 1.00 1.00 H new ATOM 0 HG12 VAL A 16 72.537 6.173 16.389 1.00 1.00 H new ATOM 0 HG13 VAL A 16 71.486 5.955 17.809 1.00 1.00 H new ATOM 0 HG21 VAL A 16 69.087 4.775 16.307 1.00 1.00 H new ATOM 0 HG22 VAL A 16 69.004 6.043 17.553 1.00 1.00 H new ATOM 0 HG23 VAL A 16 68.283 6.321 15.950 1.00 1.00 H new ATOM 249 N MET A 17 72.802 8.356 15.757 1.00 1.00 N ATOM 250 CA MET A 17 73.927 8.955 14.983 1.00 1.00 C ATOM 251 C MET A 17 73.796 10.480 14.986 1.00 1.00 C ATOM 252 O MET A 17 74.490 11.169 15.707 1.00 1.00 O ATOM 253 CB MET A 17 73.893 8.439 13.542 1.00 1.00 C ATOM 254 CG MET A 17 73.671 6.925 13.547 1.00 1.00 C ATOM 255 SD MET A 17 73.865 6.282 11.866 1.00 1.00 S ATOM 256 CE MET A 17 72.880 4.779 12.084 1.00 1.00 C ATOM 0 H MET A 17 73.082 7.783 16.553 1.00 1.00 H new ATOM 0 HA MET A 17 74.873 8.672 15.444 1.00 1.00 H new ATOM 0 HB2 MET A 17 73.095 8.932 12.987 1.00 1.00 H new ATOM 0 HB3 MET A 17 74.829 8.678 13.037 1.00 1.00 H new ATOM 0 HG2 MET A 17 74.384 6.444 14.216 1.00 1.00 H new ATOM 0 HG3 MET A 17 72.675 6.694 13.924 1.00 1.00 H new ATOM 0 HE1 MET A 17 72.863 4.216 11.151 1.00 1.00 H new ATOM 0 HE2 MET A 17 73.321 4.166 12.870 1.00 1.00 H new ATOM 0 HE3 MET A 17 71.861 5.049 12.363 1.00 1.00 H new ATOM 266 N GLY A 18 72.911 11.014 14.189 1.00 1.00 N ATOM 267 CA GLY A 18 72.739 12.495 14.152 1.00 1.00 C ATOM 268 C GLY A 18 71.349 12.836 13.613 1.00 1.00 C ATOM 269 O GLY A 18 70.875 12.238 12.668 1.00 1.00 O ATOM 0 H GLY A 18 72.300 10.490 13.562 1.00 1.00 H new ATOM 0 HA2 GLY A 18 72.865 12.911 15.152 1.00 1.00 H new ATOM 0 HA3 GLY A 18 73.505 12.945 13.521 1.00 1.00 H new ATOM 273 N GLY A 19 70.691 13.795 14.207 1.00 1.00 N ATOM 274 CA GLY A 19 69.331 14.176 13.729 1.00 1.00 C ATOM 275 C GLY A 19 69.454 15.176 12.577 1.00 1.00 C ATOM 276 O GLY A 19 69.060 14.899 11.461 1.00 1.00 O ATOM 0 H GLY A 19 71.037 14.331 15.003 1.00 1.00 H new ATOM 0 HA2 GLY A 19 68.789 13.290 13.399 1.00 1.00 H new ATOM 0 HA3 GLY A 19 68.757 14.615 14.545 1.00 1.00 H new ATOM 280 N PRO A 20 69.999 16.332 12.850 1.00 1.00 N ATOM 281 CA PRO A 20 70.183 17.399 11.825 1.00 1.00 C ATOM 282 C PRO A 20 70.723 16.843 10.502 1.00 1.00 C ATOM 283 O PRO A 20 71.913 16.846 10.256 1.00 1.00 O ATOM 284 CB PRO A 20 71.198 18.344 12.474 1.00 1.00 C ATOM 285 CG PRO A 20 70.993 18.184 13.944 1.00 1.00 C ATOM 286 CD PRO A 20 70.501 16.751 14.169 1.00 1.00 C ATOM 0 HA PRO A 20 69.243 17.885 11.563 1.00 1.00 H new ATOM 0 HB2 PRO A 20 72.217 18.085 12.188 1.00 1.00 H new ATOM 0 HB3 PRO A 20 71.032 19.375 12.163 1.00 1.00 H new ATOM 0 HG2 PRO A 20 71.922 18.363 14.486 1.00 1.00 H new ATOM 0 HG3 PRO A 20 70.264 18.905 14.313 1.00 1.00 H new ATOM 0 HD2 PRO A 20 71.307 16.102 14.513 1.00 1.00 H new ATOM 0 HD3 PRO A 20 69.716 16.713 14.925 1.00 1.00 H new ATOM 294 N CYS A 21 69.855 16.363 9.652 1.00 1.00 N ATOM 295 CA CYS A 21 70.312 15.803 8.348 1.00 1.00 C ATOM 296 C CYS A 21 69.369 16.267 7.235 1.00 1.00 C ATOM 297 O CYS A 21 68.176 16.043 7.286 1.00 1.00 O ATOM 298 CB CYS A 21 70.301 14.275 8.422 1.00 1.00 C ATOM 299 SG CYS A 21 71.044 13.592 6.920 1.00 1.00 S ATOM 0 H CYS A 21 68.847 16.335 9.805 1.00 1.00 H new ATOM 0 HA CYS A 21 71.323 16.151 8.135 1.00 1.00 H new ATOM 0 HB2 CYS A 21 70.854 13.939 9.299 1.00 1.00 H new ATOM 0 HB3 CYS A 21 69.279 13.913 8.532 1.00 1.00 H new ATOM 304 N THR A 22 69.895 16.914 6.229 1.00 1.00 N ATOM 305 CA THR A 22 69.029 17.393 5.111 1.00 1.00 C ATOM 306 C THR A 22 69.784 17.251 3.783 1.00 1.00 C ATOM 307 O THR A 22 70.578 18.097 3.426 1.00 1.00 O ATOM 308 CB THR A 22 68.684 18.867 5.337 1.00 1.00 C ATOM 309 OG1 THR A 22 69.876 19.596 5.591 1.00 1.00 O ATOM 310 CG2 THR A 22 67.740 18.995 6.533 1.00 1.00 C ATOM 0 H THR A 22 70.887 17.132 6.133 1.00 1.00 H new ATOM 0 HA THR A 22 68.115 16.800 5.078 1.00 1.00 H new ATOM 0 HB THR A 22 68.195 19.267 4.448 1.00 1.00 H new ATOM 0 HG1 THR A 22 70.527 19.417 4.881 1.00 1.00 H new ATOM 0 HG21 THR A 22 67.495 20.045 6.693 1.00 1.00 H new ATOM 0 HG22 THR A 22 66.826 18.435 6.336 1.00 1.00 H new ATOM 0 HG23 THR A 22 68.225 18.596 7.424 1.00 1.00 H new ATOM 318 N PRO A 23 69.537 16.190 3.053 1.00 1.00 N ATOM 319 CA PRO A 23 70.207 15.946 1.740 1.00 1.00 C ATOM 320 C PRO A 23 70.096 17.152 0.801 1.00 1.00 C ATOM 321 O PRO A 23 69.037 17.722 0.629 1.00 1.00 O ATOM 322 CB PRO A 23 69.456 14.741 1.161 1.00 1.00 C ATOM 323 CG PRO A 23 68.878 14.036 2.343 1.00 1.00 C ATOM 324 CD PRO A 23 68.600 15.109 3.398 1.00 1.00 C ATOM 0 HA PRO A 23 71.277 15.772 1.858 1.00 1.00 H new ATOM 0 HB2 PRO A 23 68.674 15.059 0.471 1.00 1.00 H new ATOM 0 HB3 PRO A 23 70.128 14.089 0.603 1.00 1.00 H new ATOM 0 HG2 PRO A 23 67.961 13.512 2.072 1.00 1.00 H new ATOM 0 HG3 PRO A 23 69.572 13.287 2.725 1.00 1.00 H new ATOM 0 HD2 PRO A 23 67.565 15.449 3.360 1.00 1.00 H new ATOM 0 HD3 PRO A 23 68.775 14.734 4.406 1.00 1.00 H new ATOM 332 N ARG A 24 71.182 17.543 0.193 1.00 1.00 N ATOM 333 CA ARG A 24 71.138 18.709 -0.734 1.00 1.00 C ATOM 334 C ARG A 24 72.407 18.726 -1.588 1.00 1.00 C ATOM 335 O ARG A 24 72.976 19.766 -1.853 1.00 1.00 O ATOM 336 CB ARG A 24 71.049 20.005 0.079 1.00 1.00 C ATOM 337 CG ARG A 24 70.595 21.150 -0.828 1.00 1.00 C ATOM 338 CD ARG A 24 69.066 21.181 -0.886 1.00 1.00 C ATOM 339 NE ARG A 24 68.521 21.379 0.486 1.00 1.00 N ATOM 340 CZ ARG A 24 67.234 21.310 0.693 1.00 1.00 C ATOM 341 NH1 ARG A 24 66.425 21.069 -0.302 1.00 1.00 N ATOM 342 NH2 ARG A 24 66.756 21.484 1.895 1.00 1.00 N ATOM 0 H ARG A 24 72.098 17.106 0.298 1.00 1.00 H new ATOM 0 HA ARG A 24 70.265 18.628 -1.382 1.00 1.00 H new ATOM 0 HB2 ARG A 24 70.347 19.881 0.904 1.00 1.00 H new ATOM 0 HB3 ARG A 24 72.019 20.238 0.518 1.00 1.00 H new ATOM 0 HG2 ARG A 24 70.974 22.099 -0.450 1.00 1.00 H new ATOM 0 HG3 ARG A 24 71.005 21.019 -1.830 1.00 1.00 H new ATOM 0 HD2 ARG A 24 68.733 21.986 -1.541 1.00 1.00 H new ATOM 0 HD3 ARG A 24 68.688 20.250 -1.308 1.00 1.00 H new ATOM 0 HE ARG A 24 69.153 21.568 1.264 1.00 1.00 H new ATOM 0 HH11 ARG A 24 66.798 20.934 -1.242 1.00 1.00 H new ATOM 0 HH12 ARG A 24 65.419 21.015 -0.140 1.00 1.00 H new ATOM 0 HH21 ARG A 24 67.388 21.674 2.673 1.00 1.00 H new ATOM 0 HH22 ARG A 24 65.750 21.430 2.057 1.00 1.00 H new ATOM 356 N LYS A 25 72.855 17.579 -2.022 1.00 1.00 N ATOM 357 CA LYS A 25 74.085 17.529 -2.860 1.00 1.00 C ATOM 358 C LYS A 25 73.937 18.492 -4.039 1.00 1.00 C ATOM 359 O LYS A 25 74.600 19.507 -4.111 1.00 1.00 O ATOM 360 CB LYS A 25 74.285 16.104 -3.381 1.00 1.00 C ATOM 361 CG LYS A 25 74.115 15.111 -2.230 1.00 1.00 C ATOM 362 CD LYS A 25 74.498 13.708 -2.704 1.00 1.00 C ATOM 363 CE LYS A 25 73.615 13.310 -3.888 1.00 1.00 C ATOM 364 NZ LYS A 25 72.234 13.827 -3.674 1.00 1.00 N ATOM 0 H LYS A 25 72.422 16.675 -1.832 1.00 1.00 H new ATOM 0 HA LYS A 25 74.948 17.821 -2.262 1.00 1.00 H new ATOM 0 HB2 LYS A 25 73.564 15.889 -4.170 1.00 1.00 H new ATOM 0 HB3 LYS A 25 75.278 16.002 -3.820 1.00 1.00 H new ATOM 0 HG2 LYS A 25 74.741 15.405 -1.387 1.00 1.00 H new ATOM 0 HG3 LYS A 25 73.083 15.118 -1.879 1.00 1.00 H new ATOM 0 HD2 LYS A 25 75.548 13.685 -2.996 1.00 1.00 H new ATOM 0 HD3 LYS A 25 74.378 12.992 -1.891 1.00 1.00 H new ATOM 0 HE2 LYS A 25 74.026 13.713 -4.814 1.00 1.00 H new ATOM 0 HE3 LYS A 25 73.596 12.225 -3.993 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.566 13.284 -4.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 71.978 13.728 -2.671 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 72.193 14.831 -3.944 1.00 1.00 H new ATOM 378 N GLY A 26 73.069 18.184 -4.964 1.00 1.00 N ATOM 379 CA GLY A 26 72.878 19.086 -6.135 1.00 1.00 C ATOM 380 C GLY A 26 72.203 18.313 -7.271 1.00 1.00 C ATOM 381 O GLY A 26 72.096 17.104 -7.228 1.00 1.00 O ATOM 0 H GLY A 26 72.485 17.348 -4.959 1.00 1.00 H new ATOM 0 HA2 GLY A 26 72.267 19.943 -5.851 1.00 1.00 H new ATOM 0 HA3 GLY A 26 73.840 19.476 -6.468 1.00 1.00 H new ATOM 385 N PRO A 27 71.754 19.009 -8.283 1.00 1.00 N ATOM 386 CA PRO A 27 71.080 18.380 -9.453 1.00 1.00 C ATOM 387 C PRO A 27 71.827 17.132 -9.946 1.00 1.00 C ATOM 388 O PRO A 27 73.004 16.970 -9.693 1.00 1.00 O ATOM 389 CB PRO A 27 71.109 19.480 -10.517 1.00 1.00 C ATOM 390 CG PRO A 27 71.143 20.763 -9.754 1.00 1.00 C ATOM 391 CD PRO A 27 71.841 20.472 -8.422 1.00 1.00 C ATOM 0 HA PRO A 27 70.075 18.035 -9.211 1.00 1.00 H new ATOM 0 HB2 PRO A 27 71.983 19.382 -11.161 1.00 1.00 H new ATOM 0 HB3 PRO A 27 70.231 19.428 -11.161 1.00 1.00 H new ATOM 0 HG2 PRO A 27 71.681 21.530 -10.312 1.00 1.00 H new ATOM 0 HG3 PRO A 27 70.134 21.139 -9.587 1.00 1.00 H new ATOM 0 HD2 PRO A 27 72.877 20.810 -8.433 1.00 1.00 H new ATOM 0 HD3 PRO A 27 71.348 20.981 -7.594 1.00 1.00 H new ATOM 399 N PRO A 28 71.150 16.260 -10.649 1.00 1.00 N ATOM 400 CA PRO A 28 71.764 15.014 -11.188 1.00 1.00 C ATOM 401 C PRO A 28 73.167 15.257 -11.754 1.00 1.00 C ATOM 402 O PRO A 28 73.432 16.271 -12.369 1.00 1.00 O ATOM 403 CB PRO A 28 70.798 14.599 -12.297 1.00 1.00 C ATOM 404 CG PRO A 28 69.466 15.115 -11.862 1.00 1.00 C ATOM 405 CD PRO A 28 69.727 16.363 -11.011 1.00 1.00 C ATOM 0 HA PRO A 28 71.899 14.254 -10.418 1.00 1.00 H new ATOM 0 HB2 PRO A 28 71.092 15.025 -13.256 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.781 13.516 -12.421 1.00 1.00 H new ATOM 0 HG2 PRO A 28 68.846 15.359 -12.725 1.00 1.00 H new ATOM 0 HG3 PRO A 28 68.929 14.361 -11.287 1.00 1.00 H new ATOM 0 HD2 PRO A 28 69.523 17.276 -11.570 1.00 1.00 H new ATOM 0 HD3 PRO A 28 69.091 16.382 -10.126 1.00 1.00 H new ATOM 413 N LYS A 29 74.067 14.335 -11.550 1.00 1.00 N ATOM 414 CA LYS A 29 75.450 14.512 -12.075 1.00 1.00 C ATOM 415 C LYS A 29 76.190 13.176 -12.003 1.00 1.00 C ATOM 416 O LYS A 29 77.019 12.866 -12.836 1.00 1.00 O ATOM 417 CB LYS A 29 76.186 15.554 -11.228 1.00 1.00 C ATOM 418 CG LYS A 29 77.600 15.755 -11.776 1.00 1.00 C ATOM 419 CD LYS A 29 77.522 16.301 -13.203 1.00 1.00 C ATOM 420 CE LYS A 29 78.769 17.136 -13.500 1.00 1.00 C ATOM 421 NZ LYS A 29 78.649 18.462 -12.831 1.00 1.00 N ATOM 0 H LYS A 29 73.904 13.466 -11.042 1.00 1.00 H new ATOM 0 HA LYS A 29 75.411 14.851 -13.110 1.00 1.00 H new ATOM 0 HB2 LYS A 29 75.642 16.499 -11.242 1.00 1.00 H new ATOM 0 HB3 LYS A 29 76.231 15.227 -10.189 1.00 1.00 H new ATOM 0 HG2 LYS A 29 78.153 16.447 -11.140 1.00 1.00 H new ATOM 0 HG3 LYS A 29 78.143 14.810 -11.766 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.444 15.479 -13.914 1.00 1.00 H new ATOM 0 HD3 LYS A 29 76.626 16.911 -13.322 1.00 1.00 H new ATOM 0 HE2 LYS A 29 79.660 16.617 -13.146 1.00 1.00 H new ATOM 0 HE3 LYS A 29 78.883 17.268 -14.576 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 79.307 19.135 -13.273 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 77.675 18.814 -12.930 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 78.881 18.364 -11.822 1.00 1.00 H new ATOM 435 N CYS A 30 75.894 12.381 -11.012 1.00 1.00 N ATOM 436 CA CYS A 30 76.575 11.063 -10.879 1.00 1.00 C ATOM 437 C CYS A 30 76.583 10.352 -12.233 1.00 1.00 C ATOM 438 O CYS A 30 77.593 10.285 -12.905 1.00 1.00 O ATOM 439 CB CYS A 30 75.825 10.206 -9.856 1.00 1.00 C ATOM 440 SG CYS A 30 76.356 8.482 -10.005 1.00 1.00 S ATOM 0 H CYS A 30 75.208 12.588 -10.287 1.00 1.00 H new ATOM 0 HA CYS A 30 77.601 11.215 -10.545 1.00 1.00 H new ATOM 0 HB2 CYS A 30 76.020 10.571 -8.848 1.00 1.00 H new ATOM 0 HB3 CYS A 30 74.750 10.282 -10.021 1.00 1.00 H new ATOM 445 N LYS A 31 75.464 9.822 -12.635 1.00 1.00 N ATOM 446 CA LYS A 31 75.400 9.114 -13.944 1.00 1.00 C ATOM 447 C LYS A 31 76.520 8.077 -14.022 1.00 1.00 C ATOM 448 O LYS A 31 76.451 7.027 -13.415 1.00 1.00 O ATOM 449 CB LYS A 31 75.563 10.127 -15.078 1.00 1.00 C ATOM 450 CG LYS A 31 74.385 11.103 -15.066 1.00 1.00 C ATOM 451 CD LYS A 31 74.755 12.362 -15.852 1.00 1.00 C ATOM 452 CE LYS A 31 73.488 13.160 -16.166 1.00 1.00 C ATOM 453 NZ LYS A 31 72.686 12.435 -17.191 1.00 1.00 N ATOM 0 H LYS A 31 74.588 9.848 -12.113 1.00 1.00 H new ATOM 0 HA LYS A 31 74.437 8.613 -14.038 1.00 1.00 H new ATOM 0 HB2 LYS A 31 76.500 10.671 -14.962 1.00 1.00 H new ATOM 0 HB3 LYS A 31 75.611 9.611 -16.037 1.00 1.00 H new ATOM 0 HG2 LYS A 31 73.505 10.633 -15.506 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.127 11.365 -14.040 1.00 1.00 H new ATOM 0 HD2 LYS A 31 75.448 12.973 -15.274 1.00 1.00 H new ATOM 0 HD3 LYS A 31 75.264 12.090 -16.776 1.00 1.00 H new ATOM 0 HE2 LYS A 31 72.899 13.299 -15.259 1.00 1.00 H new ATOM 0 HE3 LYS A 31 73.752 14.153 -16.530 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 72.077 13.110 -17.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 73.325 11.971 -17.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 72.095 11.717 -16.725 1.00 1.00 H new ATOM 467 N GLN A 32 77.550 8.365 -14.767 1.00 1.00 N ATOM 468 CA GLN A 32 78.680 7.400 -14.892 1.00 1.00 C ATOM 469 C GLN A 32 78.218 6.177 -15.689 1.00 1.00 C ATOM 470 O GLN A 32 77.386 5.412 -15.244 1.00 1.00 O ATOM 471 CB GLN A 32 79.140 6.964 -13.496 1.00 1.00 C ATOM 472 CG GLN A 32 80.608 6.536 -13.553 1.00 1.00 C ATOM 473 CD GLN A 32 80.964 5.762 -12.283 1.00 1.00 C ATOM 474 OE1 GLN A 32 80.176 4.976 -11.796 1.00 1.00 O ATOM 475 NE2 GLN A 32 82.128 5.951 -11.723 1.00 1.00 N ATOM 0 H GLN A 32 77.659 9.230 -15.297 1.00 1.00 H new ATOM 0 HA GLN A 32 79.511 7.877 -15.411 1.00 1.00 H new ATOM 0 HB2 GLN A 32 79.016 7.784 -12.788 1.00 1.00 H new ATOM 0 HB3 GLN A 32 78.523 6.139 -13.139 1.00 1.00 H new ATOM 0 HG2 GLN A 32 80.783 5.914 -14.431 1.00 1.00 H new ATOM 0 HG3 GLN A 32 81.250 7.412 -13.650 1.00 1.00 H new ATOM 0 HE21 GLN A 32 82.790 6.611 -12.132 1.00 1.00 H new ATOM 0 HE22 GLN A 32 82.376 5.439 -10.877 1.00 1.00 H new ATOM 484 N ARG A 33 78.753 5.987 -16.864 1.00 1.00 N ATOM 485 CA ARG A 33 78.347 4.815 -17.691 1.00 1.00 C ATOM 486 C ARG A 33 79.505 4.413 -18.607 1.00 1.00 C ATOM 487 O ARG A 33 79.313 4.099 -19.765 1.00 1.00 O ATOM 488 CB ARG A 33 77.127 5.188 -18.539 1.00 1.00 C ATOM 489 CG ARG A 33 77.306 6.601 -19.098 1.00 1.00 C ATOM 490 CD ARG A 33 76.138 6.934 -20.029 1.00 1.00 C ATOM 491 NE ARG A 33 76.075 8.407 -20.239 1.00 1.00 N ATOM 492 CZ ARG A 33 76.876 8.980 -21.095 1.00 1.00 C ATOM 493 NH1 ARG A 33 77.733 8.261 -21.768 1.00 1.00 N ATOM 494 NH2 ARG A 33 76.820 10.271 -21.279 1.00 1.00 N ATOM 0 H ARG A 33 79.455 6.594 -17.288 1.00 1.00 H new ATOM 0 HA ARG A 33 78.093 3.979 -17.040 1.00 1.00 H new ATOM 0 HB2 ARG A 33 77.006 4.475 -19.355 1.00 1.00 H new ATOM 0 HB3 ARG A 33 76.221 5.137 -17.935 1.00 1.00 H new ATOM 0 HG2 ARG A 33 77.352 7.323 -18.283 1.00 1.00 H new ATOM 0 HG3 ARG A 33 78.249 6.672 -19.640 1.00 1.00 H new ATOM 0 HD2 ARG A 33 76.264 6.425 -20.984 1.00 1.00 H new ATOM 0 HD3 ARG A 33 75.203 6.577 -19.598 1.00 1.00 H new ATOM 0 HE ARG A 33 75.405 8.968 -19.713 1.00 1.00 H new ATOM 0 HH11 ARG A 33 77.776 7.252 -21.625 1.00 1.00 H new ATOM 0 HH12 ARG A 33 78.359 8.708 -22.437 1.00 1.00 H new ATOM 0 HH21 ARG A 33 76.150 10.832 -20.754 1.00 1.00 H new ATOM 0 HH22 ARG A 33 77.446 10.718 -21.948 1.00 1.00 H new ATOM 508 N GLN A 34 80.706 4.421 -18.097 1.00 1.00 N ATOM 509 CA GLN A 34 81.877 4.038 -18.937 1.00 1.00 C ATOM 510 C GLN A 34 82.039 2.516 -18.919 1.00 1.00 C ATOM 511 O GLN A 34 82.880 1.964 -19.600 1.00 1.00 O ATOM 512 CB GLN A 34 83.141 4.697 -18.376 1.00 1.00 C ATOM 513 CG GLN A 34 84.226 4.724 -19.454 1.00 1.00 C ATOM 514 CD GLN A 34 85.523 5.278 -18.861 1.00 1.00 C ATOM 515 OE1 GLN A 34 86.586 4.730 -19.076 1.00 1.00 O ATOM 516 NE2 GLN A 34 85.480 6.350 -18.118 1.00 1.00 N ATOM 0 H GLN A 34 80.928 4.676 -17.135 1.00 1.00 H new ATOM 0 HA GLN A 34 81.718 4.373 -19.962 1.00 1.00 H new ATOM 0 HB2 GLN A 34 82.918 5.711 -18.044 1.00 1.00 H new ATOM 0 HB3 GLN A 34 83.494 4.147 -17.504 1.00 1.00 H new ATOM 0 HG2 GLN A 34 84.392 3.719 -19.843 1.00 1.00 H new ATOM 0 HG3 GLN A 34 83.905 5.341 -20.293 1.00 1.00 H new ATOM 0 HE21 GLN A 34 84.588 6.810 -17.938 1.00 1.00 H new ATOM 0 HE22 GLN A 34 86.339 6.728 -17.718 1.00 1.00 H new ATOM 525 N THR A 35 81.241 1.834 -18.143 1.00 1.00 N ATOM 526 CA THR A 35 81.348 0.349 -18.080 1.00 1.00 C ATOM 527 C THR A 35 82.664 -0.038 -17.397 1.00 1.00 C ATOM 528 O THR A 35 83.702 0.538 -17.657 1.00 1.00 O ATOM 529 CB THR A 35 81.312 -0.227 -19.503 1.00 1.00 C ATOM 530 OG1 THR A 35 80.519 0.612 -20.331 1.00 1.00 O ATOM 531 CG2 THR A 35 80.710 -1.633 -19.472 1.00 1.00 C ATOM 0 H THR A 35 80.519 2.242 -17.549 1.00 1.00 H new ATOM 0 HA THR A 35 80.513 -0.055 -17.508 1.00 1.00 H new ATOM 0 HB THR A 35 82.326 -0.278 -19.901 1.00 1.00 H new ATOM 0 HG1 THR A 35 80.496 0.247 -21.240 1.00 1.00 H new ATOM 0 HG21 THR A 35 80.685 -2.040 -20.483 1.00 1.00 H new ATOM 0 HG22 THR A 35 81.319 -2.276 -18.837 1.00 1.00 H new ATOM 0 HG23 THR A 35 79.696 -1.586 -19.075 1.00 1.00 H new ATOM 539 N ARG A 36 82.628 -1.006 -16.522 1.00 1.00 N ATOM 540 CA ARG A 36 83.875 -1.426 -15.821 1.00 1.00 C ATOM 541 C ARG A 36 84.528 -0.205 -15.169 1.00 1.00 C ATOM 542 O ARG A 36 85.676 0.103 -15.418 1.00 1.00 O ATOM 543 CB ARG A 36 84.848 -2.044 -16.827 1.00 1.00 C ATOM 544 CG ARG A 36 84.140 -3.154 -17.607 1.00 1.00 C ATOM 545 CD ARG A 36 85.113 -3.770 -18.614 1.00 1.00 C ATOM 546 NE ARG A 36 86.160 -4.541 -17.886 1.00 1.00 N ATOM 547 CZ ARG A 36 86.862 -5.443 -18.515 1.00 1.00 C ATOM 548 NH1 ARG A 36 86.647 -5.671 -19.782 1.00 1.00 N ATOM 549 NH2 ARG A 36 87.779 -6.118 -17.877 1.00 1.00 N ATOM 0 H ARG A 36 81.789 -1.524 -16.262 1.00 1.00 H new ATOM 0 HA ARG A 36 83.628 -2.162 -15.056 1.00 1.00 H new ATOM 0 HB2 ARG A 36 85.213 -1.279 -17.513 1.00 1.00 H new ATOM 0 HB3 ARG A 36 85.717 -2.448 -16.308 1.00 1.00 H new ATOM 0 HG2 ARG A 36 83.776 -3.920 -16.922 1.00 1.00 H new ATOM 0 HG3 ARG A 36 83.270 -2.751 -18.125 1.00 1.00 H new ATOM 0 HD2 ARG A 36 84.576 -4.424 -19.301 1.00 1.00 H new ATOM 0 HD3 ARG A 36 85.575 -2.987 -19.215 1.00 1.00 H new ATOM 0 HE ARG A 36 86.328 -4.363 -16.896 1.00 1.00 H new ATOM 0 HH11 ARG A 36 85.930 -5.144 -20.281 1.00 1.00 H new ATOM 0 HH12 ARG A 36 87.196 -6.376 -20.274 1.00 1.00 H new ATOM 0 HH21 ARG A 36 87.947 -5.940 -16.887 1.00 1.00 H new ATOM 0 HH22 ARG A 36 88.328 -6.823 -18.369 1.00 1.00 H new ATOM 563 N GLN A 37 83.806 0.493 -14.336 1.00 1.00 N ATOM 564 CA GLN A 37 84.389 1.693 -13.672 1.00 1.00 C ATOM 565 C GLN A 37 85.277 1.252 -12.506 1.00 1.00 C ATOM 566 O GLN A 37 85.894 2.062 -11.844 1.00 1.00 O ATOM 567 CB GLN A 37 83.260 2.586 -13.148 1.00 1.00 C ATOM 568 CG GLN A 37 82.661 3.384 -14.307 1.00 1.00 C ATOM 569 CD GLN A 37 83.599 4.535 -14.675 1.00 1.00 C ATOM 570 OE1 GLN A 37 84.771 4.613 -14.105 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 83.264 5.372 -15.489 1.00 1.00 N flip ATOM 0 H GLN A 37 82.839 0.285 -14.087 1.00 1.00 H new ATOM 0 HA GLN A 37 84.988 2.251 -14.392 1.00 1.00 H new ATOM 0 HB2 GLN A 37 82.490 1.977 -12.676 1.00 1.00 H new ATOM 0 HB3 GLN A 37 83.643 3.264 -12.385 1.00 1.00 H new ATOM 0 HG2 GLN A 37 82.510 2.735 -15.169 1.00 1.00 H new ATOM 0 HG3 GLN A 37 81.683 3.774 -14.026 1.00 1.00 H new ATOM 0 HE21 GLN A 37 82.349 5.312 -15.935 1.00 1.00 H new ATOM 0 HE22 GLN A 37 83.898 6.135 -15.727 1.00 1.00 H new ATOM 580 N CYS A 38 85.350 -0.027 -12.252 1.00 1.00 N ATOM 581 CA CYS A 38 86.202 -0.516 -11.132 1.00 1.00 C ATOM 582 C CYS A 38 86.646 -1.952 -11.417 1.00 1.00 C ATOM 583 O CYS A 38 85.835 -2.836 -11.611 1.00 1.00 O ATOM 584 CB CYS A 38 85.403 -0.479 -9.827 1.00 1.00 C ATOM 585 SG CYS A 38 83.802 -1.286 -10.076 1.00 1.00 S ATOM 0 H CYS A 38 84.857 -0.753 -12.772 1.00 1.00 H new ATOM 0 HA CYS A 38 87.079 0.124 -11.039 1.00 1.00 H new ATOM 0 HB2 CYS A 38 85.957 -0.983 -9.035 1.00 1.00 H new ATOM 0 HB3 CYS A 38 85.256 0.553 -9.507 1.00 1.00 H new ATOM 590 N LYS A 39 87.929 -2.191 -11.446 1.00 1.00 N ATOM 591 CA LYS A 39 88.425 -3.569 -11.719 1.00 1.00 C ATOM 592 C LYS A 39 87.797 -4.543 -10.722 1.00 1.00 C ATOM 593 O LYS A 39 88.235 -4.664 -9.595 1.00 1.00 O ATOM 594 CB LYS A 39 89.948 -3.602 -11.577 1.00 1.00 C ATOM 595 CG LYS A 39 90.554 -2.384 -12.278 1.00 1.00 C ATOM 596 CD LYS A 39 90.017 -2.298 -13.708 1.00 1.00 C ATOM 597 CE LYS A 39 90.888 -1.341 -14.524 1.00 1.00 C ATOM 598 NZ LYS A 39 90.809 0.026 -13.935 1.00 1.00 N ATOM 0 H LYS A 39 88.655 -1.491 -11.292 1.00 1.00 H new ATOM 0 HA LYS A 39 88.150 -3.860 -12.733 1.00 1.00 H new ATOM 0 HB2 LYS A 39 90.225 -3.603 -10.523 1.00 1.00 H new ATOM 0 HB3 LYS A 39 90.344 -4.519 -12.012 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.306 -1.475 -11.730 1.00 1.00 H new ATOM 0 HG3 LYS A 39 91.641 -2.462 -12.291 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.016 -3.287 -14.167 1.00 1.00 H new ATOM 0 HD3 LYS A 39 88.984 -1.949 -13.700 1.00 1.00 H new ATOM 0 HE2 LYS A 39 91.921 -1.687 -14.529 1.00 1.00 H new ATOM 0 HE3 LYS A 39 90.553 -1.322 -15.561 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 91.213 0.715 -14.601 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.815 0.267 -13.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 91.344 0.051 -13.044 1.00 1.00 H new ATOM 612 N SER A 40 86.772 -5.238 -11.130 1.00 1.00 N ATOM 613 CA SER A 40 86.110 -6.205 -10.211 1.00 1.00 C ATOM 614 C SER A 40 84.894 -6.817 -10.911 1.00 1.00 C ATOM 615 O SER A 40 83.809 -6.272 -10.879 1.00 1.00 O ATOM 616 CB SER A 40 85.659 -5.477 -8.942 1.00 1.00 C ATOM 617 OG SER A 40 85.221 -4.169 -9.283 1.00 1.00 O ATOM 0 H SER A 40 86.363 -5.178 -12.063 1.00 1.00 H new ATOM 0 HA SER A 40 86.812 -6.995 -9.944 1.00 1.00 H new ATOM 0 HB2 SER A 40 84.853 -6.029 -8.459 1.00 1.00 H new ATOM 0 HB3 SER A 40 86.481 -5.423 -8.228 1.00 1.00 H new ATOM 0 HG SER A 40 84.537 -4.225 -9.982 1.00 1.00 H new ATOM 623 N LYS A 41 85.067 -7.944 -11.546 1.00 1.00 N ATOM 624 CA LYS A 41 83.921 -8.587 -12.248 1.00 1.00 C ATOM 625 C LYS A 41 82.844 -8.963 -11.223 1.00 1.00 C ATOM 626 O LYS A 41 83.150 -9.343 -10.111 1.00 1.00 O ATOM 627 CB LYS A 41 84.406 -9.851 -12.963 1.00 1.00 C ATOM 628 CG LYS A 41 85.049 -10.798 -11.948 1.00 1.00 C ATOM 629 CD LYS A 41 85.843 -11.877 -12.687 1.00 1.00 C ATOM 630 CE LYS A 41 84.917 -12.623 -13.649 1.00 1.00 C ATOM 631 NZ LYS A 41 83.609 -12.879 -12.982 1.00 1.00 N ATOM 0 H LYS A 41 85.952 -8.447 -11.609 1.00 1.00 H new ATOM 0 HA LYS A 41 83.504 -7.893 -12.978 1.00 1.00 H new ATOM 0 HB2 LYS A 41 83.570 -10.345 -13.458 1.00 1.00 H new ATOM 0 HB3 LYS A 41 85.126 -9.589 -13.739 1.00 1.00 H new ATOM 0 HG2 LYS A 41 85.707 -10.241 -11.281 1.00 1.00 H new ATOM 0 HG3 LYS A 41 84.281 -11.258 -11.327 1.00 1.00 H new ATOM 0 HD2 LYS A 41 86.668 -11.424 -13.237 1.00 1.00 H new ATOM 0 HD3 LYS A 41 86.281 -12.574 -11.973 1.00 1.00 H new ATOM 0 HE2 LYS A 41 84.767 -12.036 -14.555 1.00 1.00 H new ATOM 0 HE3 LYS A 41 85.373 -13.565 -13.952 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 83.145 -13.696 -13.429 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 83.767 -13.079 -11.974 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 83.001 -12.041 -13.077 1.00 1.00 H new ATOM 645 N PRO A 42 81.591 -8.860 -11.592 1.00 1.00 N ATOM 646 CA PRO A 42 80.458 -9.201 -10.681 1.00 1.00 C ATOM 647 C PRO A 42 80.329 -10.717 -10.464 1.00 1.00 C ATOM 648 O PRO A 42 80.758 -11.503 -11.285 1.00 1.00 O ATOM 649 CB PRO A 42 79.228 -8.655 -11.413 1.00 1.00 C ATOM 650 CG PRO A 42 79.606 -8.652 -12.857 1.00 1.00 C ATOM 651 CD PRO A 42 81.117 -8.413 -12.912 1.00 1.00 C ATOM 0 HA PRO A 42 80.593 -8.779 -9.685 1.00 1.00 H new ATOM 0 HB2 PRO A 42 78.353 -9.281 -11.236 1.00 1.00 H new ATOM 0 HB3 PRO A 42 78.977 -7.652 -11.069 1.00 1.00 H new ATOM 0 HG2 PRO A 42 79.346 -9.600 -13.328 1.00 1.00 H new ATOM 0 HG3 PRO A 42 79.070 -7.871 -13.396 1.00 1.00 H new ATOM 0 HD2 PRO A 42 81.583 -8.981 -13.718 1.00 1.00 H new ATOM 0 HD3 PRO A 42 81.350 -7.362 -13.086 1.00 1.00 H new ATOM 659 N PRO A 43 79.740 -11.122 -9.367 1.00 1.00 N ATOM 660 CA PRO A 43 79.550 -12.567 -9.041 1.00 1.00 C ATOM 661 C PRO A 43 78.408 -13.200 -9.844 1.00 1.00 C ATOM 662 O PRO A 43 77.285 -12.737 -9.814 1.00 1.00 O ATOM 663 CB PRO A 43 79.210 -12.551 -7.550 1.00 1.00 C ATOM 664 CG PRO A 43 78.554 -11.229 -7.322 1.00 1.00 C ATOM 665 CD PRO A 43 79.187 -10.251 -8.316 1.00 1.00 C ATOM 0 HA PRO A 43 80.431 -13.160 -9.285 1.00 1.00 H new ATOM 0 HB2 PRO A 43 78.544 -13.373 -7.287 1.00 1.00 H new ATOM 0 HB3 PRO A 43 80.106 -12.658 -6.939 1.00 1.00 H new ATOM 0 HG2 PRO A 43 77.477 -11.298 -7.478 1.00 1.00 H new ATOM 0 HG3 PRO A 43 78.706 -10.892 -6.297 1.00 1.00 H new ATOM 0 HD2 PRO A 43 78.449 -9.558 -8.719 1.00 1.00 H new ATOM 0 HD3 PRO A 43 79.965 -9.650 -7.845 1.00 1.00 H new ATOM 673 N LYS A 44 78.685 -14.259 -10.556 1.00 1.00 N ATOM 674 CA LYS A 44 77.614 -14.925 -11.353 1.00 1.00 C ATOM 675 C LYS A 44 76.830 -13.871 -12.141 1.00 1.00 C ATOM 676 O LYS A 44 75.674 -14.056 -12.466 1.00 1.00 O ATOM 677 CB LYS A 44 76.667 -15.668 -10.404 1.00 1.00 C ATOM 678 CG LYS A 44 77.163 -17.101 -10.201 1.00 1.00 C ATOM 679 CD LYS A 44 76.614 -17.994 -11.315 1.00 1.00 C ATOM 680 CE LYS A 44 77.059 -19.439 -11.079 1.00 1.00 C ATOM 681 NZ LYS A 44 76.315 -20.003 -9.917 1.00 1.00 N ATOM 0 H LYS A 44 79.606 -14.692 -10.620 1.00 1.00 H new ATOM 0 HA LYS A 44 78.063 -15.633 -12.049 1.00 1.00 H new ATOM 0 HB2 LYS A 44 76.617 -15.151 -9.446 1.00 1.00 H new ATOM 0 HB3 LYS A 44 75.657 -15.677 -10.815 1.00 1.00 H new ATOM 0 HG2 LYS A 44 78.253 -17.124 -10.206 1.00 1.00 H new ATOM 0 HG3 LYS A 44 76.841 -17.474 -9.229 1.00 1.00 H new ATOM 0 HD2 LYS A 44 75.526 -17.937 -11.338 1.00 1.00 H new ATOM 0 HD3 LYS A 44 76.972 -17.646 -12.284 1.00 1.00 H new ATOM 0 HE2 LYS A 44 76.872 -20.039 -11.970 1.00 1.00 H new ATOM 0 HE3 LYS A 44 78.132 -19.474 -10.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 76.404 -21.039 -9.918 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 76.710 -19.622 -9.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 75.311 -19.742 -9.988 1.00 1.00 H new ATOM 695 N LYS A 45 77.450 -12.769 -12.451 1.00 1.00 N ATOM 696 CA LYS A 45 76.745 -11.701 -13.218 1.00 1.00 C ATOM 697 C LYS A 45 75.512 -11.243 -12.434 1.00 1.00 C ATOM 698 O LYS A 45 75.043 -11.922 -11.542 1.00 1.00 O ATOM 699 CB LYS A 45 76.314 -12.248 -14.590 1.00 1.00 C ATOM 700 CG LYS A 45 77.221 -11.671 -15.678 1.00 1.00 C ATOM 701 CD LYS A 45 76.763 -12.177 -17.047 1.00 1.00 C ATOM 702 CE LYS A 45 75.807 -11.160 -17.674 1.00 1.00 C ATOM 703 NZ LYS A 45 74.590 -11.032 -16.823 1.00 1.00 N ATOM 0 H LYS A 45 78.418 -12.559 -12.207 1.00 1.00 H new ATOM 0 HA LYS A 45 77.416 -10.855 -13.365 1.00 1.00 H new ATOM 0 HB2 LYS A 45 76.371 -13.336 -14.594 1.00 1.00 H new ATOM 0 HB3 LYS A 45 75.276 -11.983 -14.789 1.00 1.00 H new ATOM 0 HG2 LYS A 45 77.190 -10.582 -15.652 1.00 1.00 H new ATOM 0 HG3 LYS A 45 78.255 -11.965 -15.497 1.00 1.00 H new ATOM 0 HD2 LYS A 45 77.625 -12.330 -17.697 1.00 1.00 H new ATOM 0 HD3 LYS A 45 76.267 -13.142 -16.942 1.00 1.00 H new ATOM 0 HE2 LYS A 45 76.300 -10.193 -17.770 1.00 1.00 H new ATOM 0 HE3 LYS A 45 75.529 -11.477 -18.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 73.825 -10.595 -17.375 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 74.291 -11.975 -16.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 74.804 -10.437 -15.998 1.00 1.00 H new ATOM 717 N GLY A 46 74.985 -10.094 -12.759 1.00 1.00 N ATOM 718 CA GLY A 46 73.785 -9.591 -12.034 1.00 1.00 C ATOM 719 C GLY A 46 72.553 -10.385 -12.470 1.00 1.00 C ATOM 720 O GLY A 46 71.574 -9.830 -12.928 1.00 1.00 O ATOM 0 H GLY A 46 75.334 -9.482 -13.496 1.00 1.00 H new ATOM 0 HA2 GLY A 46 73.931 -9.688 -10.958 1.00 1.00 H new ATOM 0 HA3 GLY A 46 73.640 -8.531 -12.242 1.00 1.00 H new ATOM 724 N VAL A 47 72.592 -11.683 -12.331 1.00 1.00 N ATOM 725 CA VAL A 47 71.424 -12.516 -12.736 1.00 1.00 C ATOM 726 C VAL A 47 71.326 -13.732 -11.814 1.00 1.00 C ATOM 727 O VAL A 47 70.261 -14.278 -11.600 1.00 1.00 O ATOM 728 CB VAL A 47 71.609 -12.985 -14.181 1.00 1.00 C ATOM 729 CG1 VAL A 47 70.370 -13.762 -14.629 1.00 1.00 C ATOM 730 CG2 VAL A 47 71.802 -11.769 -15.090 1.00 1.00 C ATOM 0 H VAL A 47 73.384 -12.203 -11.954 1.00 1.00 H new ATOM 0 HA VAL A 47 70.511 -11.926 -12.660 1.00 1.00 H new ATOM 0 HB VAL A 47 72.485 -13.631 -14.243 1.00 1.00 H new ATOM 0 HG11 VAL A 47 70.502 -14.096 -15.658 1.00 1.00 H new ATOM 0 HG12 VAL A 47 70.230 -14.628 -13.982 1.00 1.00 H new ATOM 0 HG13 VAL A 47 69.494 -13.117 -14.567 1.00 1.00 H new ATOM 0 HG21 VAL A 47 71.934 -12.102 -16.120 1.00 1.00 H new ATOM 0 HG22 VAL A 47 70.925 -11.124 -15.026 1.00 1.00 H new ATOM 0 HG23 VAL A 47 72.684 -11.214 -14.772 1.00 1.00 H new ATOM 740 N GLN A 48 72.431 -14.160 -11.264 1.00 1.00 N ATOM 741 CA GLN A 48 72.408 -15.341 -10.352 1.00 1.00 C ATOM 742 C GLN A 48 73.410 -15.123 -9.217 1.00 1.00 C ATOM 743 O GLN A 48 74.253 -15.957 -8.950 1.00 1.00 O ATOM 744 CB GLN A 48 72.794 -16.599 -11.137 1.00 1.00 C ATOM 745 CG GLN A 48 71.606 -17.058 -11.984 1.00 1.00 C ATOM 746 CD GLN A 48 70.519 -17.632 -11.073 1.00 1.00 C ATOM 747 OE1 GLN A 48 69.501 -17.007 -10.854 1.00 1.00 O ATOM 748 NE2 GLN A 48 70.695 -18.805 -10.527 1.00 1.00 N ATOM 0 H GLN A 48 73.350 -13.742 -11.407 1.00 1.00 H new ATOM 0 HA GLN A 48 71.407 -15.463 -9.938 1.00 1.00 H new ATOM 0 HB2 GLN A 48 73.652 -16.392 -11.777 1.00 1.00 H new ATOM 0 HB3 GLN A 48 73.092 -17.391 -10.451 1.00 1.00 H new ATOM 0 HG2 GLN A 48 71.209 -16.220 -12.557 1.00 1.00 H new ATOM 0 HG3 GLN A 48 71.928 -17.812 -12.703 1.00 1.00 H new ATOM 0 HE21 GLN A 48 71.550 -19.330 -10.711 1.00 1.00 H new ATOM 0 HE22 GLN A 48 69.978 -19.196 -9.917 1.00 1.00 H new ATOM 757 N GLY A 49 73.327 -14.006 -8.545 1.00 1.00 N ATOM 758 CA GLY A 49 74.276 -13.734 -7.428 1.00 1.00 C ATOM 759 C GLY A 49 73.629 -12.774 -6.428 1.00 1.00 C ATOM 760 O GLY A 49 73.032 -11.783 -6.801 1.00 1.00 O ATOM 0 H GLY A 49 72.643 -13.270 -8.722 1.00 1.00 H new ATOM 0 HA2 GLY A 49 74.545 -14.666 -6.931 1.00 1.00 H new ATOM 0 HA3 GLY A 49 75.198 -13.303 -7.818 1.00 1.00 H new ATOM 764 N CYS A 50 73.743 -13.059 -5.160 1.00 1.00 N ATOM 765 CA CYS A 50 73.137 -12.164 -4.133 1.00 1.00 C ATOM 766 C CYS A 50 71.610 -12.261 -4.206 1.00 1.00 C ATOM 767 O CYS A 50 70.926 -12.175 -3.206 1.00 1.00 O ATOM 768 CB CYS A 50 73.574 -10.719 -4.393 1.00 1.00 C ATOM 769 SG CYS A 50 73.646 -9.820 -2.824 1.00 1.00 S ATOM 0 H CYS A 50 74.231 -13.875 -4.790 1.00 1.00 H new ATOM 0 HA CYS A 50 73.471 -12.470 -3.142 1.00 1.00 H new ATOM 0 HB2 CYS A 50 74.550 -10.704 -4.878 1.00 1.00 H new ATOM 0 HB3 CYS A 50 72.874 -10.232 -5.072 1.00 1.00 H new ATOM 774 N GLY A 51 71.070 -12.439 -5.381 1.00 1.00 N ATOM 775 CA GLY A 51 69.589 -12.541 -5.514 1.00 1.00 C ATOM 776 C GLY A 51 69.242 -13.308 -6.791 1.00 1.00 C ATOM 777 O GLY A 51 69.946 -14.212 -7.194 1.00 1.00 O ATOM 0 H GLY A 51 71.591 -12.518 -6.255 1.00 1.00 H new ATOM 0 HA2 GLY A 51 69.170 -13.050 -4.646 1.00 1.00 H new ATOM 0 HA3 GLY A 51 69.147 -11.545 -5.544 1.00 1.00 H new ATOM 781 N ASP A 52 68.161 -12.954 -7.433 1.00 1.00 N ATOM 782 CA ASP A 52 67.771 -13.663 -8.685 1.00 1.00 C ATOM 783 C ASP A 52 66.841 -12.770 -9.508 1.00 1.00 C ATOM 784 O ASP A 52 66.845 -12.806 -10.723 1.00 1.00 O ATOM 785 CB ASP A 52 67.047 -14.965 -8.331 1.00 1.00 C ATOM 786 CG ASP A 52 66.002 -14.691 -7.248 1.00 1.00 C ATOM 787 OD1 ASP A 52 65.218 -13.773 -7.428 1.00 1.00 O ATOM 788 OD2 ASP A 52 66.003 -15.402 -6.257 1.00 1.00 O ATOM 0 H ASP A 52 67.532 -12.205 -7.144 1.00 1.00 H new ATOM 0 HA ASP A 52 68.664 -13.891 -9.266 1.00 1.00 H new ATOM 0 HB2 ASP A 52 66.567 -15.379 -9.218 1.00 1.00 H new ATOM 0 HB3 ASP A 52 67.763 -15.708 -7.980 1.00 1.00 H new ATOM 793 N ASP A 53 66.044 -11.967 -8.858 1.00 1.00 N ATOM 794 CA ASP A 53 65.116 -11.073 -9.605 1.00 1.00 C ATOM 795 C ASP A 53 65.912 -9.931 -10.244 1.00 1.00 C ATOM 796 O ASP A 53 66.173 -9.933 -11.430 1.00 1.00 O ATOM 797 CB ASP A 53 64.072 -10.502 -8.641 1.00 1.00 C ATOM 798 CG ASP A 53 63.605 -11.602 -7.686 1.00 1.00 C ATOM 799 OD1 ASP A 53 63.052 -12.579 -8.164 1.00 1.00 O ATOM 800 OD2 ASP A 53 63.807 -11.448 -6.493 1.00 1.00 O ATOM 0 H ASP A 53 65.996 -11.892 -7.842 1.00 1.00 H new ATOM 0 HA ASP A 53 64.611 -11.641 -10.387 1.00 1.00 H new ATOM 0 HB2 ASP A 53 64.498 -9.672 -8.077 1.00 1.00 H new ATOM 0 HB3 ASP A 53 63.224 -10.106 -9.199 1.00 1.00 H new ATOM 805 N ILE A 54 66.303 -8.956 -9.465 1.00 1.00 N ATOM 806 CA ILE A 54 67.085 -7.814 -10.025 1.00 1.00 C ATOM 807 C ILE A 54 68.158 -7.392 -9.016 1.00 1.00 C ATOM 808 O ILE A 54 67.993 -6.429 -8.293 1.00 1.00 O ATOM 809 CB ILE A 54 66.151 -6.627 -10.293 1.00 1.00 C ATOM 810 CG1 ILE A 54 65.105 -7.028 -11.336 1.00 1.00 C ATOM 811 CG2 ILE A 54 66.966 -5.444 -10.819 1.00 1.00 C ATOM 812 CD1 ILE A 54 63.867 -7.583 -10.630 1.00 1.00 C ATOM 0 H ILE A 54 66.114 -8.901 -8.464 1.00 1.00 H new ATOM 0 HA ILE A 54 67.555 -8.123 -10.959 1.00 1.00 H new ATOM 0 HB ILE A 54 65.652 -6.341 -9.367 1.00 1.00 H new ATOM 0 HG12 ILE A 54 64.834 -6.165 -11.945 1.00 1.00 H new ATOM 0 HG13 ILE A 54 65.518 -7.777 -12.011 1.00 1.00 H new ATOM 0 HG21 ILE A 54 66.302 -4.601 -11.009 1.00 1.00 H new ATOM 0 HG22 ILE A 54 67.712 -5.158 -10.078 1.00 1.00 H new ATOM 0 HG23 ILE A 54 67.465 -5.729 -11.745 1.00 1.00 H new ATOM 0 HD11 ILE A 54 63.122 -7.869 -11.373 1.00 1.00 H new ATOM 0 HD12 ILE A 54 64.145 -8.457 -10.041 1.00 1.00 H new ATOM 0 HD13 ILE A 54 63.450 -6.820 -9.973 1.00 1.00 H new ATOM 824 N PRO A 55 69.250 -8.109 -8.965 1.00 1.00 N ATOM 825 CA PRO A 55 70.367 -7.806 -8.029 1.00 1.00 C ATOM 826 C PRO A 55 71.273 -6.688 -8.557 1.00 1.00 C ATOM 827 O PRO A 55 72.314 -6.404 -7.999 1.00 1.00 O ATOM 828 CB PRO A 55 71.128 -9.130 -7.949 1.00 1.00 C ATOM 829 CG PRO A 55 70.889 -9.797 -9.265 1.00 1.00 C ATOM 830 CD PRO A 55 69.542 -9.292 -9.792 1.00 1.00 C ATOM 0 HA PRO A 55 70.012 -7.449 -7.062 1.00 1.00 H new ATOM 0 HB2 PRO A 55 72.192 -8.964 -7.779 1.00 1.00 H new ATOM 0 HB3 PRO A 55 70.766 -9.744 -7.124 1.00 1.00 H new ATOM 0 HG2 PRO A 55 71.689 -9.561 -9.967 1.00 1.00 H new ATOM 0 HG3 PRO A 55 70.875 -10.881 -9.150 1.00 1.00 H new ATOM 0 HD2 PRO A 55 69.600 -9.034 -10.849 1.00 1.00 H new ATOM 0 HD3 PRO A 55 68.765 -10.050 -9.691 1.00 1.00 H new ATOM 838 N GLY A 56 70.884 -6.053 -9.629 1.00 1.00 N ATOM 839 CA GLY A 56 71.721 -4.954 -10.192 1.00 1.00 C ATOM 840 C GLY A 56 71.474 -4.841 -11.698 1.00 1.00 C ATOM 841 O GLY A 56 72.295 -4.331 -12.434 1.00 1.00 O ATOM 0 H GLY A 56 70.023 -6.247 -10.140 1.00 1.00 H new ATOM 0 HA2 GLY A 56 71.479 -4.011 -9.702 1.00 1.00 H new ATOM 0 HA3 GLY A 56 72.776 -5.151 -10.000 1.00 1.00 H new ATOM 845 N MET A 57 70.349 -5.313 -12.164 1.00 1.00 N ATOM 846 CA MET A 57 70.053 -5.231 -13.623 1.00 1.00 C ATOM 847 C MET A 57 69.448 -3.861 -13.944 1.00 1.00 C ATOM 848 O MET A 57 69.890 -3.172 -14.841 1.00 1.00 O ATOM 849 CB MET A 57 69.062 -6.336 -14.007 1.00 1.00 C ATOM 850 CG MET A 57 69.176 -6.628 -15.504 1.00 1.00 C ATOM 851 SD MET A 57 68.645 -5.175 -16.444 1.00 1.00 S ATOM 852 CE MET A 57 68.181 -6.045 -17.962 1.00 1.00 C ATOM 0 H MET A 57 69.623 -5.751 -11.598 1.00 1.00 H new ATOM 0 HA MET A 57 70.975 -5.361 -14.190 1.00 1.00 H new ATOM 0 HB2 MET A 57 69.268 -7.239 -13.433 1.00 1.00 H new ATOM 0 HB3 MET A 57 68.045 -6.028 -13.762 1.00 1.00 H new ATOM 0 HG2 MET A 57 70.205 -6.883 -15.758 1.00 1.00 H new ATOM 0 HG3 MET A 57 68.560 -7.489 -15.766 1.00 1.00 H new ATOM 0 HE1 MET A 57 67.817 -5.326 -18.696 1.00 1.00 H new ATOM 0 HE2 MET A 57 69.051 -6.565 -18.363 1.00 1.00 H new ATOM 0 HE3 MET A 57 67.395 -6.768 -17.742 1.00 1.00 H new ATOM 862 N GLU A 58 68.439 -3.461 -13.217 1.00 1.00 N ATOM 863 CA GLU A 58 67.811 -2.136 -13.485 1.00 1.00 C ATOM 864 C GLU A 58 66.989 -1.702 -12.269 1.00 1.00 C ATOM 865 O GLU A 58 67.440 -0.929 -11.448 1.00 1.00 O ATOM 866 CB GLU A 58 66.898 -2.244 -14.711 1.00 1.00 C ATOM 867 CG GLU A 58 66.372 -0.856 -15.082 1.00 1.00 C ATOM 868 CD GLU A 58 65.235 -0.470 -14.134 1.00 1.00 C ATOM 869 OE1 GLU A 58 64.254 -1.194 -14.091 1.00 1.00 O ATOM 870 OE2 GLU A 58 65.365 0.542 -13.466 1.00 1.00 O ATOM 0 H GLU A 58 68.024 -3.993 -12.452 1.00 1.00 H new ATOM 0 HA GLU A 58 68.589 -1.397 -13.676 1.00 1.00 H new ATOM 0 HB2 GLU A 58 67.447 -2.672 -15.550 1.00 1.00 H new ATOM 0 HB3 GLU A 58 66.066 -2.915 -14.499 1.00 1.00 H new ATOM 0 HG2 GLU A 58 67.176 -0.122 -15.020 1.00 1.00 H new ATOM 0 HG3 GLU A 58 66.017 -0.854 -16.113 1.00 1.00 H new ATOM 877 N GLY A 59 65.783 -2.191 -12.149 1.00 1.00 N ATOM 878 CA GLY A 59 64.929 -1.803 -10.988 1.00 1.00 C ATOM 879 C GLY A 59 65.054 -2.853 -9.883 1.00 1.00 C ATOM 880 O GLY A 59 64.561 -3.957 -10.004 1.00 1.00 O ATOM 0 H GLY A 59 65.352 -2.843 -12.805 1.00 1.00 H new ATOM 0 HA2 GLY A 59 65.233 -0.826 -10.611 1.00 1.00 H new ATOM 0 HA3 GLY A 59 63.889 -1.714 -11.303 1.00 1.00 H new ATOM 884 N CYS A 60 65.707 -2.518 -8.804 1.00 1.00 N ATOM 885 CA CYS A 60 65.859 -3.496 -7.691 1.00 1.00 C ATOM 886 C CYS A 60 64.513 -3.677 -6.986 1.00 1.00 C ATOM 887 O CYS A 60 64.062 -2.816 -6.257 1.00 1.00 O ATOM 888 CB CYS A 60 66.895 -2.976 -6.691 1.00 1.00 C ATOM 889 SG CYS A 60 66.654 -1.200 -6.442 1.00 1.00 S ATOM 0 H CYS A 60 66.142 -1.609 -8.645 1.00 1.00 H new ATOM 0 HA CYS A 60 66.192 -4.454 -8.091 1.00 1.00 H new ATOM 0 HB2 CYS A 60 66.797 -3.504 -5.742 1.00 1.00 H new ATOM 0 HB3 CYS A 60 67.902 -3.169 -7.061 1.00 1.00 H new ATOM 894 N GLY A 61 63.867 -4.791 -7.199 1.00 1.00 N ATOM 895 CA GLY A 61 62.548 -5.026 -6.545 1.00 1.00 C ATOM 896 C GLY A 61 62.648 -4.708 -5.052 1.00 1.00 C ATOM 897 O GLY A 61 62.463 -3.583 -4.634 1.00 1.00 O ATOM 0 H GLY A 61 64.196 -5.549 -7.798 1.00 1.00 H new ATOM 0 HA2 GLY A 61 61.785 -4.401 -7.009 1.00 1.00 H new ATOM 0 HA3 GLY A 61 62.241 -6.062 -6.686 1.00 1.00 H new ATOM 901 N THR A 62 62.935 -5.693 -4.244 1.00 1.00 N ATOM 902 CA THR A 62 63.042 -5.448 -2.777 1.00 1.00 C ATOM 903 C THR A 62 64.448 -4.945 -2.442 1.00 1.00 C ATOM 904 O THR A 62 65.388 -5.710 -2.359 1.00 1.00 O ATOM 905 CB THR A 62 62.777 -6.754 -2.023 1.00 1.00 C ATOM 906 OG1 THR A 62 63.395 -6.694 -0.745 1.00 1.00 O ATOM 907 CG2 THR A 62 63.352 -7.929 -2.816 1.00 1.00 C ATOM 0 H THR A 62 63.100 -6.656 -4.536 1.00 1.00 H new ATOM 0 HA THR A 62 62.308 -4.698 -2.480 1.00 1.00 H new ATOM 0 HB THR A 62 61.703 -6.893 -1.901 1.00 1.00 H new ATOM 0 HG1 THR A 62 63.225 -7.529 -0.260 1.00 1.00 H new ATOM 0 HG21 THR A 62 63.163 -8.858 -2.278 1.00 1.00 H new ATOM 0 HG22 THR A 62 62.877 -7.974 -3.796 1.00 1.00 H new ATOM 0 HG23 THR A 62 64.426 -7.794 -2.939 1.00 1.00 H new ATOM 915 N ASP A 63 64.600 -3.664 -2.244 1.00 1.00 N ATOM 916 CA ASP A 63 65.945 -3.116 -1.911 1.00 1.00 C ATOM 917 C ASP A 63 66.337 -3.547 -0.495 1.00 1.00 C ATOM 918 O ASP A 63 66.949 -2.800 0.243 1.00 1.00 O ATOM 919 CB ASP A 63 65.906 -1.588 -1.985 1.00 1.00 C ATOM 920 CG ASP A 63 64.783 -1.062 -1.089 1.00 1.00 C ATOM 921 OD1 ASP A 63 63.726 -1.671 -1.078 1.00 1.00 O ATOM 922 OD2 ASP A 63 64.999 -0.058 -0.430 1.00 1.00 O ATOM 0 H ASP A 63 63.851 -2.974 -2.298 1.00 1.00 H new ATOM 0 HA ASP A 63 66.678 -3.497 -2.623 1.00 1.00 H new ATOM 0 HB2 ASP A 63 66.863 -1.173 -1.668 1.00 1.00 H new ATOM 0 HB3 ASP A 63 65.745 -1.267 -3.014 1.00 1.00 H new ATOM 927 N ILE A 64 65.989 -4.747 -0.108 1.00 1.00 N ATOM 928 CA ILE A 64 66.339 -5.228 1.262 1.00 1.00 C ATOM 929 C ILE A 64 66.776 -6.691 1.190 1.00 1.00 C ATOM 930 O ILE A 64 67.380 -7.212 2.106 1.00 1.00 O ATOM 931 CB ILE A 64 65.111 -5.115 2.172 1.00 1.00 C ATOM 932 CG1 ILE A 64 64.914 -3.654 2.581 1.00 1.00 C ATOM 933 CG2 ILE A 64 65.321 -5.970 3.423 1.00 1.00 C ATOM 934 CD1 ILE A 64 65.770 -3.348 3.812 1.00 1.00 C ATOM 0 H ILE A 64 65.477 -5.416 -0.683 1.00 1.00 H new ATOM 0 HA ILE A 64 67.150 -4.621 1.663 1.00 1.00 H new ATOM 0 HB ILE A 64 64.229 -5.466 1.637 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.192 -2.995 1.759 1.00 1.00 H new ATOM 0 HG13 ILE A 64 63.863 -3.465 2.800 1.00 1.00 H new ATOM 0 HG21 ILE A 64 64.447 -5.889 4.070 1.00 1.00 H new ATOM 0 HG22 ILE A 64 65.463 -7.011 3.133 1.00 1.00 H new ATOM 0 HG23 ILE A 64 66.203 -5.620 3.959 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.630 -2.307 4.103 1.00 1.00 H new ATOM 0 HD12 ILE A 64 65.471 -3.998 4.634 1.00 1.00 H new ATOM 0 HD13 ILE A 64 66.820 -3.520 3.577 1.00 1.00 H new ATOM 946 N THR A 65 66.465 -7.355 0.109 1.00 1.00 N ATOM 947 CA THR A 65 66.844 -8.793 -0.041 1.00 1.00 C ATOM 948 C THR A 65 66.730 -9.509 1.309 1.00 1.00 C ATOM 949 O THR A 65 67.494 -10.403 1.612 1.00 1.00 O ATOM 950 CB THR A 65 68.280 -8.902 -0.575 1.00 1.00 C ATOM 951 OG1 THR A 65 68.640 -10.272 -0.683 1.00 1.00 O ATOM 952 CG2 THR A 65 69.238 -8.194 0.384 1.00 1.00 C ATOM 0 H THR A 65 65.960 -6.960 -0.684 1.00 1.00 H new ATOM 0 HA THR A 65 66.165 -9.267 -0.750 1.00 1.00 H new ATOM 0 HB THR A 65 68.340 -8.432 -1.557 1.00 1.00 H new ATOM 0 HG1 THR A 65 68.546 -10.705 0.191 1.00 1.00 H new ATOM 0 HG21 THR A 65 70.257 -8.272 0.004 1.00 1.00 H new ATOM 0 HG22 THR A 65 68.961 -7.143 0.465 1.00 1.00 H new ATOM 0 HG23 THR A 65 69.181 -8.662 1.367 1.00 1.00 H new ATOM 960 N VAL A 66 65.777 -9.118 2.116 1.00 1.00 N ATOM 961 CA VAL A 66 65.597 -9.761 3.453 1.00 1.00 C ATOM 962 C VAL A 66 66.804 -9.445 4.339 1.00 1.00 C ATOM 963 O VAL A 66 66.666 -9.157 5.511 1.00 1.00 O ATOM 964 CB VAL A 66 65.461 -11.280 3.292 1.00 1.00 C ATOM 965 CG1 VAL A 66 64.868 -11.878 4.569 1.00 1.00 C ATOM 966 CG2 VAL A 66 64.538 -11.585 2.111 1.00 1.00 C ATOM 0 H VAL A 66 65.111 -8.375 1.904 1.00 1.00 H new ATOM 0 HA VAL A 66 64.691 -9.371 3.917 1.00 1.00 H new ATOM 0 HB VAL A 66 66.443 -11.716 3.109 1.00 1.00 H new ATOM 0 HG11 VAL A 66 64.771 -12.958 4.454 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.524 -11.660 5.412 1.00 1.00 H new ATOM 0 HG13 VAL A 66 63.885 -11.443 4.752 1.00 1.00 H new ATOM 0 HG21 VAL A 66 64.440 -12.664 1.995 1.00 1.00 H new ATOM 0 HG22 VAL A 66 63.556 -11.149 2.295 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.959 -11.159 1.200 1.00 1.00 H new ATOM 976 N ILE A 67 67.985 -9.491 3.785 1.00 1.00 N ATOM 977 CA ILE A 67 69.207 -9.188 4.584 1.00 1.00 C ATOM 978 C ILE A 67 70.115 -8.267 3.770 1.00 1.00 C ATOM 979 O ILE A 67 70.946 -8.716 3.005 1.00 1.00 O ATOM 980 CB ILE A 67 69.950 -10.488 4.900 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.094 -11.350 5.831 1.00 1.00 C ATOM 982 CG2 ILE A 67 71.279 -10.164 5.586 1.00 1.00 C ATOM 983 CD1 ILE A 67 69.684 -12.759 5.909 1.00 1.00 C ATOM 0 H ILE A 67 68.157 -9.727 2.808 1.00 1.00 H new ATOM 0 HA ILE A 67 68.925 -8.701 5.517 1.00 1.00 H new ATOM 0 HB ILE A 67 70.142 -11.030 3.974 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.057 -10.904 6.825 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.069 -11.394 5.463 1.00 1.00 H new ATOM 0 HG21 ILE A 67 71.808 -11.090 5.811 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.889 -9.549 4.925 1.00 1.00 H new ATOM 0 HG23 ILE A 67 71.088 -9.621 6.512 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.074 -13.373 6.572 1.00 1.00 H new ATOM 0 HD12 ILE A 67 69.698 -13.203 4.914 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.701 -12.707 6.297 1.00 1.00 H new ATOM 995 N CYS A 68 69.963 -6.981 3.925 1.00 1.00 N ATOM 996 CA CYS A 68 70.816 -6.031 3.156 1.00 1.00 C ATOM 997 C CYS A 68 72.046 -5.664 3.994 1.00 1.00 C ATOM 998 O CYS A 68 71.951 -5.471 5.190 1.00 1.00 O ATOM 999 CB CYS A 68 70.005 -4.769 2.840 1.00 1.00 C ATOM 1000 SG CYS A 68 70.296 -4.279 1.122 1.00 1.00 S ATOM 0 H CYS A 68 69.285 -6.546 4.551 1.00 1.00 H new ATOM 0 HA CYS A 68 71.141 -6.494 2.224 1.00 1.00 H new ATOM 0 HB2 CYS A 68 68.943 -4.956 3.001 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.292 -3.961 3.513 1.00 1.00 H new ATOM 1005 N PRO A 69 73.199 -5.569 3.377 1.00 1.00 N ATOM 1006 CA PRO A 69 74.461 -5.221 4.086 1.00 1.00 C ATOM 1007 C PRO A 69 74.249 -4.189 5.200 1.00 1.00 C ATOM 1008 O PRO A 69 75.034 -4.093 6.123 1.00 1.00 O ATOM 1009 CB PRO A 69 75.332 -4.646 2.971 1.00 1.00 C ATOM 1010 CG PRO A 69 74.897 -5.365 1.734 1.00 1.00 C ATOM 1011 CD PRO A 69 73.433 -5.775 1.939 1.00 1.00 C ATOM 0 HA PRO A 69 74.899 -6.081 4.592 1.00 1.00 H new ATOM 0 HB2 PRO A 69 75.189 -3.570 2.873 1.00 1.00 H new ATOM 0 HB3 PRO A 69 76.391 -4.810 3.172 1.00 1.00 H new ATOM 0 HG2 PRO A 69 74.998 -4.722 0.860 1.00 1.00 H new ATOM 0 HG3 PRO A 69 75.521 -6.241 1.559 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.760 -5.166 1.335 1.00 1.00 H new ATOM 0 HD3 PRO A 69 73.266 -6.814 1.653 1.00 1.00 H new ATOM 1019 N TRP A 70 73.199 -3.416 5.124 1.00 1.00 N ATOM 1020 CA TRP A 70 72.951 -2.396 6.182 1.00 1.00 C ATOM 1021 C TRP A 70 72.470 -3.087 7.460 1.00 1.00 C ATOM 1022 O TRP A 70 71.859 -2.476 8.314 1.00 1.00 O ATOM 1023 CB TRP A 70 71.883 -1.409 5.706 1.00 1.00 C ATOM 1024 CG TRP A 70 71.867 -0.218 6.610 1.00 1.00 C ATOM 1025 CD1 TRP A 70 72.878 0.670 6.742 1.00 1.00 C ATOM 1026 CD2 TRP A 70 70.809 0.230 7.507 1.00 1.00 C ATOM 1027 NE1 TRP A 70 72.510 1.634 7.662 1.00 1.00 N ATOM 1028 CE2 TRP A 70 71.244 1.408 8.162 1.00 1.00 C ATOM 1029 CE3 TRP A 70 69.529 -0.264 7.812 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.434 2.070 9.088 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 68.714 0.398 8.742 1.00 1.00 C ATOM 1032 CH2 TRP A 70 69.164 1.562 9.379 1.00 1.00 C ATOM 0 H TRP A 70 72.505 -3.447 4.377 1.00 1.00 H new ATOM 0 HA TRP A 70 73.877 -1.859 6.386 1.00 1.00 H new ATOM 0 HB2 TRP A 70 72.090 -1.099 4.682 1.00 1.00 H new ATOM 0 HB3 TRP A 70 70.905 -1.889 5.702 1.00 1.00 H new ATOM 0 HD1 TRP A 70 73.820 0.632 6.215 1.00 1.00 H new ATOM 0 HE1 TRP A 70 73.102 2.417 7.938 1.00 1.00 H new ATOM 0 HE3 TRP A 70 69.170 -1.160 7.327 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 70.786 2.967 9.575 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 67.733 0.008 8.969 1.00 1.00 H new ATOM 0 HH2 TRP A 70 68.531 2.066 10.094 1.00 1.00 H new ATOM 1043 N GLU A 71 72.741 -4.356 7.600 1.00 1.00 N ATOM 1044 CA GLU A 71 72.302 -5.086 8.825 1.00 1.00 C ATOM 1045 C GLU A 71 73.350 -6.138 9.191 1.00 1.00 C ATOM 1046 O GLU A 71 73.830 -6.189 10.306 1.00 1.00 O ATOM 1047 CB GLU A 71 70.960 -5.772 8.557 1.00 1.00 C ATOM 1048 CG GLU A 71 69.843 -4.726 8.557 1.00 1.00 C ATOM 1049 CD GLU A 71 68.493 -5.421 8.371 1.00 1.00 C ATOM 1050 OE1 GLU A 71 68.375 -6.563 8.782 1.00 1.00 O ATOM 1051 OE2 GLU A 71 67.600 -4.799 7.820 1.00 1.00 O ATOM 0 H GLU A 71 73.248 -4.920 6.918 1.00 1.00 H new ATOM 0 HA GLU A 71 72.190 -4.382 9.649 1.00 1.00 H new ATOM 0 HB2 GLU A 71 70.989 -6.289 7.598 1.00 1.00 H new ATOM 0 HB3 GLU A 71 70.766 -6.526 9.320 1.00 1.00 H new ATOM 0 HG2 GLU A 71 69.851 -4.170 9.494 1.00 1.00 H new ATOM 0 HG3 GLU A 71 70.006 -4.004 7.756 1.00 1.00 H new ATOM 1058 N ALA A 72 73.710 -6.977 8.260 1.00 1.00 N ATOM 1059 CA ALA A 72 74.729 -8.024 8.550 1.00 1.00 C ATOM 1060 C ALA A 72 76.130 -7.406 8.532 1.00 1.00 C ATOM 1061 O ALA A 72 76.711 -7.123 9.560 1.00 1.00 O ATOM 1062 CB ALA A 72 74.648 -9.119 7.485 1.00 1.00 C ATOM 0 H ALA A 72 73.342 -6.983 7.309 1.00 1.00 H new ATOM 0 HA ALA A 72 74.535 -8.450 9.534 1.00 1.00 H new ATOM 0 HB1 ALA A 72 75.393 -9.887 7.695 1.00 1.00 H new ATOM 0 HB2 ALA A 72 73.654 -9.565 7.497 1.00 1.00 H new ATOM 0 HB3 ALA A 72 74.840 -8.686 6.503 1.00 1.00 H new ATOM 1068 N CYS A 73 76.677 -7.207 7.363 1.00 1.00 N ATOM 1069 CA CYS A 73 78.044 -6.622 7.259 1.00 1.00 C ATOM 1070 C CYS A 73 78.131 -5.347 8.102 1.00 1.00 C ATOM 1071 O CYS A 73 78.599 -5.364 9.223 1.00 1.00 O ATOM 1072 CB CYS A 73 78.341 -6.284 5.797 1.00 1.00 C ATOM 1073 SG CYS A 73 78.604 -7.813 4.865 1.00 1.00 S ATOM 0 H CYS A 73 76.233 -7.426 6.471 1.00 1.00 H new ATOM 0 HA CYS A 73 78.772 -7.345 7.626 1.00 1.00 H new ATOM 0 HB2 CYS A 73 77.512 -5.722 5.367 1.00 1.00 H new ATOM 0 HB3 CYS A 73 79.225 -5.649 5.732 1.00 1.00 H new ATOM 1078 N ASN A 74 77.695 -4.240 7.563 1.00 1.00 N ATOM 1079 CA ASN A 74 77.759 -2.954 8.319 1.00 1.00 C ATOM 1080 C ASN A 74 79.219 -2.511 8.454 1.00 1.00 C ATOM 1081 O ASN A 74 79.620 -1.495 7.922 1.00 1.00 O ATOM 1082 CB ASN A 74 77.147 -3.135 9.712 1.00 1.00 C ATOM 1083 CG ASN A 74 75.945 -4.077 9.623 1.00 1.00 C ATOM 1084 OD1 ASN A 74 74.996 -3.825 8.763 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 75.868 -5.053 10.343 1.00 1.00 N flip ATOM 0 H ASN A 74 77.295 -4.170 6.627 1.00 1.00 H new ATOM 0 HA ASN A 74 77.196 -2.193 7.778 1.00 1.00 H new ATOM 0 HB2 ASN A 74 77.891 -3.541 10.398 1.00 1.00 H new ATOM 0 HB3 ASN A 74 76.837 -2.170 10.113 1.00 1.00 H new ATOM 0 HD21 ASN A 74 76.609 -5.251 11.015 1.00 1.00 H new ATOM 0 HD22 ASN A 74 75.062 -5.675 10.275 1.00 1.00 H new ATOM 1092 N HIS A 75 80.016 -3.263 9.164 1.00 1.00 N ATOM 1093 CA HIS A 75 81.448 -2.881 9.334 1.00 1.00 C ATOM 1094 C HIS A 75 82.292 -3.553 8.248 1.00 1.00 C ATOM 1095 O HIS A 75 83.245 -4.251 8.533 1.00 1.00 O ATOM 1096 CB HIS A 75 81.937 -3.333 10.712 1.00 1.00 C ATOM 1097 CG HIS A 75 81.369 -2.425 11.768 1.00 1.00 C ATOM 1098 ND1 HIS A 75 81.955 -1.211 12.093 1.00 1.00 N ATOM 1099 CD2 HIS A 75 80.267 -2.541 12.581 1.00 1.00 C ATOM 1100 CE1 HIS A 75 81.213 -0.648 13.063 1.00 1.00 C ATOM 1101 NE2 HIS A 75 80.174 -1.416 13.396 1.00 1.00 N ATOM 0 H HIS A 75 79.738 -4.125 9.633 1.00 1.00 H new ATOM 0 HA HIS A 75 81.545 -1.799 9.250 1.00 1.00 H new ATOM 0 HB2 HIS A 75 81.631 -4.362 10.899 1.00 1.00 H new ATOM 0 HB3 HIS A 75 83.026 -3.313 10.748 1.00 1.00 H new ATOM 0 HD2 HIS A 75 79.580 -3.375 12.587 1.00 1.00 H new ATOM 0 HE1 HIS A 75 81.431 0.308 13.516 1.00 1.00 H new ATOM 0 HE2 HIS A 75 79.462 -1.220 14.099 1.00 1.00 H new ATOM 1110 N CYS A 76 81.952 -3.345 7.006 1.00 1.00 N ATOM 1111 CA CYS A 76 82.737 -3.967 5.901 1.00 1.00 C ATOM 1112 C CYS A 76 83.853 -3.012 5.473 1.00 1.00 C ATOM 1113 O CYS A 76 84.894 -3.428 5.005 1.00 1.00 O ATOM 1114 CB CYS A 76 81.809 -4.245 4.714 1.00 1.00 C ATOM 1115 SG CYS A 76 82.780 -4.310 3.188 1.00 1.00 S ATOM 0 H CYS A 76 81.164 -2.771 6.708 1.00 1.00 H new ATOM 0 HA CYS A 76 83.176 -4.904 6.243 1.00 1.00 H new ATOM 0 HB2 CYS A 76 81.283 -5.188 4.863 1.00 1.00 H new ATOM 0 HB3 CYS A 76 81.051 -3.465 4.642 1.00 1.00 H new ATOM 1120 N GLU A 77 83.644 -1.733 5.628 1.00 1.00 N ATOM 1121 CA GLU A 77 84.694 -0.754 5.227 1.00 1.00 C ATOM 1122 C GLU A 77 85.990 -1.052 5.985 1.00 1.00 C ATOM 1123 O GLU A 77 85.981 -1.310 7.172 1.00 1.00 O ATOM 1124 CB GLU A 77 84.225 0.664 5.558 1.00 1.00 C ATOM 1125 CG GLU A 77 85.094 1.676 4.810 1.00 1.00 C ATOM 1126 CD GLU A 77 84.763 1.629 3.317 1.00 1.00 C ATOM 1127 OE1 GLU A 77 83.745 2.184 2.938 1.00 1.00 O ATOM 1128 OE2 GLU A 77 85.534 1.038 2.578 1.00 1.00 O ATOM 0 H GLU A 77 82.793 -1.324 6.014 1.00 1.00 H new ATOM 0 HA GLU A 77 84.874 -0.836 4.155 1.00 1.00 H new ATOM 0 HB2 GLU A 77 83.179 0.788 5.276 1.00 1.00 H new ATOM 0 HB3 GLU A 77 84.288 0.838 6.632 1.00 1.00 H new ATOM 0 HG2 GLU A 77 84.920 2.679 5.200 1.00 1.00 H new ATOM 0 HG3 GLU A 77 86.149 1.451 4.967 1.00 1.00 H new ATOM 1135 N LEU A 78 87.106 -1.017 5.308 1.00 1.00 N ATOM 1136 CA LEU A 78 88.401 -1.295 5.991 1.00 1.00 C ATOM 1137 C LEU A 78 88.726 -0.144 6.945 1.00 1.00 C ATOM 1138 O LEU A 78 88.403 -0.185 8.116 1.00 1.00 O ATOM 1139 CB LEU A 78 89.516 -1.422 4.948 1.00 1.00 C ATOM 1140 CG LEU A 78 89.436 -2.793 4.275 1.00 1.00 C ATOM 1141 CD1 LEU A 78 89.787 -3.882 5.291 1.00 1.00 C ATOM 1142 CD2 LEU A 78 88.015 -3.022 3.755 1.00 1.00 C ATOM 0 H LEU A 78 87.176 -0.808 4.312 1.00 1.00 H new ATOM 0 HA LEU A 78 88.324 -2.226 6.552 1.00 1.00 H new ATOM 0 HB2 LEU A 78 89.421 -0.633 4.202 1.00 1.00 H new ATOM 0 HB3 LEU A 78 90.489 -1.295 5.424 1.00 1.00 H new ATOM 0 HG LEU A 78 90.140 -2.831 3.444 1.00 1.00 H new ATOM 0 HD11 LEU A 78 89.730 -4.859 4.811 1.00 1.00 H new ATOM 0 HD12 LEU A 78 90.798 -3.719 5.664 1.00 1.00 H new ATOM 0 HD13 LEU A 78 89.083 -3.844 6.122 1.00 1.00 H new ATOM 0 HD21 LEU A 78 87.956 -3.999 3.275 1.00 1.00 H new ATOM 0 HD22 LEU A 78 87.312 -2.984 4.587 1.00 1.00 H new ATOM 0 HD23 LEU A 78 87.763 -2.247 3.032 1.00 1.00 H new ATOM 1154 N HIS A 79 89.361 0.883 6.453 1.00 1.00 N ATOM 1155 CA HIS A 79 89.705 2.036 7.331 1.00 1.00 C ATOM 1156 C HIS A 79 90.246 3.182 6.473 1.00 1.00 C ATOM 1157 O HIS A 79 91.392 3.183 6.071 1.00 1.00 O ATOM 1158 CB HIS A 79 90.767 1.602 8.348 1.00 1.00 C ATOM 1159 CG HIS A 79 90.664 2.461 9.578 1.00 1.00 C ATOM 1160 ND1 HIS A 79 89.557 2.428 10.413 1.00 1.00 N ATOM 1161 CD2 HIS A 79 91.523 3.382 10.128 1.00 1.00 C ATOM 1162 CE1 HIS A 79 89.774 3.303 11.411 1.00 1.00 C ATOM 1163 NE2 HIS A 79 90.955 3.910 11.284 1.00 1.00 N ATOM 0 H HIS A 79 89.657 0.974 5.481 1.00 1.00 H new ATOM 0 HA HIS A 79 88.815 2.373 7.862 1.00 1.00 H new ATOM 0 HB2 HIS A 79 90.627 0.553 8.611 1.00 1.00 H new ATOM 0 HB3 HIS A 79 91.762 1.691 7.911 1.00 1.00 H new ATOM 0 HD2 HIS A 79 92.488 3.654 9.726 1.00 1.00 H new ATOM 0 HE1 HIS A 79 89.078 3.491 12.215 1.00 1.00 H new ATOM 0 HE2 HIS A 79 91.357 4.613 11.904 1.00 1.00 H new ATOM 1172 N GLU A 80 89.426 4.158 6.186 1.00 1.00 N ATOM 1173 CA GLU A 80 89.889 5.304 5.352 1.00 1.00 C ATOM 1174 C GLU A 80 89.140 6.571 5.774 1.00 1.00 C ATOM 1175 O GLU A 80 89.317 7.070 6.867 1.00 1.00 O ATOM 1176 CB GLU A 80 89.608 5.001 3.877 1.00 1.00 C ATOM 1177 CG GLU A 80 90.314 6.035 2.998 1.00 1.00 C ATOM 1178 CD GLU A 80 90.209 5.615 1.530 1.00 1.00 C ATOM 1179 OE1 GLU A 80 89.170 5.858 0.939 1.00 1.00 O ATOM 1180 OE2 GLU A 80 91.169 5.058 1.023 1.00 1.00 O ATOM 0 H GLU A 80 88.455 4.211 6.494 1.00 1.00 H new ATOM 0 HA GLU A 80 90.959 5.455 5.491 1.00 1.00 H new ATOM 0 HB2 GLU A 80 89.956 3.999 3.628 1.00 1.00 H new ATOM 0 HB3 GLU A 80 88.535 5.021 3.689 1.00 1.00 H new ATOM 0 HG2 GLU A 80 89.863 7.017 3.139 1.00 1.00 H new ATOM 0 HG3 GLU A 80 91.361 6.121 3.289 1.00 1.00 H new ATOM 1187 N LEU A 81 88.307 7.098 4.918 1.00 1.00 N ATOM 1188 CA LEU A 81 87.553 8.331 5.279 1.00 1.00 C ATOM 1189 C LEU A 81 86.454 7.986 6.288 1.00 1.00 C ATOM 1190 O LEU A 81 85.910 8.850 6.946 1.00 1.00 O ATOM 1191 CB LEU A 81 86.933 8.947 4.016 1.00 1.00 C ATOM 1192 CG LEU A 81 85.758 8.088 3.546 1.00 1.00 C ATOM 1193 CD1 LEU A 81 85.138 8.711 2.294 1.00 1.00 C ATOM 1194 CD2 LEU A 81 86.258 6.679 3.219 1.00 1.00 C ATOM 0 H LEU A 81 88.117 6.729 3.986 1.00 1.00 H new ATOM 0 HA LEU A 81 88.235 9.053 5.728 1.00 1.00 H new ATOM 0 HB2 LEU A 81 86.594 9.962 4.224 1.00 1.00 H new ATOM 0 HB3 LEU A 81 87.683 9.017 3.228 1.00 1.00 H new ATOM 0 HG LEU A 81 85.008 8.036 4.335 1.00 1.00 H new ATOM 0 HD11 LEU A 81 84.301 8.099 1.959 1.00 1.00 H new ATOM 0 HD12 LEU A 81 84.783 9.716 2.525 1.00 1.00 H new ATOM 0 HD13 LEU A 81 85.888 8.763 1.504 1.00 1.00 H new ATOM 0 HD21 LEU A 81 85.422 6.065 2.884 1.00 1.00 H new ATOM 0 HD22 LEU A 81 87.008 6.733 2.430 1.00 1.00 H new ATOM 0 HD23 LEU A 81 86.701 6.234 4.110 1.00 1.00 H new ATOM 1206 N ALA A 82 86.125 6.729 6.415 1.00 1.00 N ATOM 1207 CA ALA A 82 85.062 6.332 7.381 1.00 1.00 C ATOM 1208 C ALA A 82 85.493 6.714 8.799 1.00 1.00 C ATOM 1209 O ALA A 82 85.527 7.874 9.157 1.00 1.00 O ATOM 1210 CB ALA A 82 84.844 4.819 7.307 1.00 1.00 C ATOM 0 H ALA A 82 86.546 5.961 5.892 1.00 1.00 H new ATOM 0 HA ALA A 82 84.134 6.846 7.131 1.00 1.00 H new ATOM 0 HB1 ALA A 82 84.067 4.528 8.014 1.00 1.00 H new ATOM 0 HB2 ALA A 82 84.538 4.544 6.298 1.00 1.00 H new ATOM 0 HB3 ALA A 82 85.772 4.305 7.557 1.00 1.00 H new ATOM 1216 N GLN A 83 85.823 5.745 9.607 1.00 1.00 N ATOM 1217 CA GLN A 83 86.253 6.050 11.001 1.00 1.00 C ATOM 1218 C GLN A 83 85.115 6.755 11.743 1.00 1.00 C ATOM 1219 O GLN A 83 85.312 7.333 12.793 1.00 1.00 O ATOM 1220 CB GLN A 83 87.485 6.960 10.967 1.00 1.00 C ATOM 1221 CG GLN A 83 88.270 6.808 12.271 1.00 1.00 C ATOM 1222 CD GLN A 83 89.282 7.949 12.395 1.00 1.00 C ATOM 1223 OE1 GLN A 83 88.947 9.098 12.189 1.00 1.00 O ATOM 1224 NE2 GLN A 83 90.515 7.678 12.725 1.00 1.00 N ATOM 0 H GLN A 83 85.814 4.755 9.363 1.00 1.00 H new ATOM 0 HA GLN A 83 86.502 5.123 11.517 1.00 1.00 H new ATOM 0 HB2 GLN A 83 88.117 6.702 10.118 1.00 1.00 H new ATOM 0 HB3 GLN A 83 87.180 7.998 10.833 1.00 1.00 H new ATOM 0 HG2 GLN A 83 87.588 6.819 13.121 1.00 1.00 H new ATOM 0 HG3 GLN A 83 88.785 5.848 12.288 1.00 1.00 H new ATOM 0 HE21 GLN A 83 90.796 6.713 12.898 1.00 1.00 H new ATOM 0 HE22 GLN A 83 91.198 8.431 12.810 1.00 1.00 H new ATOM 1233 N TYR A 84 83.926 6.713 11.207 1.00 1.00 N ATOM 1234 CA TYR A 84 82.781 7.383 11.886 1.00 1.00 C ATOM 1235 C TYR A 84 81.473 7.012 11.182 1.00 1.00 C ATOM 1236 O TYR A 84 80.578 6.444 11.775 1.00 1.00 O ATOM 1237 CB TYR A 84 82.978 8.900 11.833 1.00 1.00 C ATOM 1238 CG TYR A 84 81.834 9.582 12.544 1.00 1.00 C ATOM 1239 CD1 TYR A 84 81.846 9.696 13.940 1.00 1.00 C ATOM 1240 CD2 TYR A 84 80.762 10.101 11.809 1.00 1.00 C ATOM 1241 CE1 TYR A 84 80.785 10.328 14.599 1.00 1.00 C ATOM 1242 CE2 TYR A 84 79.701 10.734 12.468 1.00 1.00 C ATOM 1243 CZ TYR A 84 79.713 10.847 13.864 1.00 1.00 C ATOM 1244 OH TYR A 84 78.667 11.471 14.514 1.00 1.00 O ATOM 0 H TYR A 84 83.698 6.245 10.330 1.00 1.00 H new ATOM 0 HA TYR A 84 82.734 7.056 12.925 1.00 1.00 H new ATOM 0 HB2 TYR A 84 83.924 9.171 12.301 1.00 1.00 H new ATOM 0 HB3 TYR A 84 83.028 9.235 10.797 1.00 1.00 H new ATOM 0 HD1 TYR A 84 82.673 9.297 14.508 1.00 1.00 H new ATOM 0 HD2 TYR A 84 80.753 10.013 10.733 1.00 1.00 H new ATOM 0 HE1 TYR A 84 80.794 10.415 15.675 1.00 1.00 H new ATOM 0 HE2 TYR A 84 78.874 11.135 11.900 1.00 1.00 H new ATOM 0 HH TYR A 84 78.007 11.774 13.856 1.00 1.00 H new ATOM 1254 N GLY A 85 81.354 7.327 9.921 1.00 1.00 N ATOM 1255 CA GLY A 85 80.104 6.992 9.184 1.00 1.00 C ATOM 1256 C GLY A 85 80.058 5.489 8.910 1.00 1.00 C ATOM 1257 O GLY A 85 80.034 5.065 7.775 1.00 1.00 O ATOM 0 H GLY A 85 82.069 7.802 9.370 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.234 7.292 9.768 1.00 1.00 H new ATOM 0 HA3 GLY A 85 80.064 7.544 8.245 1.00 1.00 H new ATOM 1261 N ILE A 86 80.039 4.689 9.952 1.00 1.00 N ATOM 1262 CA ILE A 86 79.989 3.195 9.796 1.00 1.00 C ATOM 1263 C ILE A 86 80.539 2.774 8.427 1.00 1.00 C ATOM 1264 O ILE A 86 81.659 2.317 8.312 1.00 1.00 O ATOM 1265 CB ILE A 86 78.537 2.694 9.948 1.00 1.00 C ATOM 1266 CG1 ILE A 86 77.586 3.893 9.972 1.00 1.00 C ATOM 1267 CG2 ILE A 86 78.400 1.910 11.255 1.00 1.00 C ATOM 1268 CD1 ILE A 86 77.784 4.676 11.271 1.00 1.00 C ATOM 0 H ILE A 86 80.056 5.012 10.919 1.00 1.00 H new ATOM 0 HA ILE A 86 80.608 2.749 10.574 1.00 1.00 H new ATOM 0 HB ILE A 86 78.287 2.046 9.108 1.00 1.00 H new ATOM 0 HG12 ILE A 86 77.775 4.538 9.114 1.00 1.00 H new ATOM 0 HG13 ILE A 86 76.553 3.553 9.894 1.00 1.00 H new ATOM 0 HG21 ILE A 86 77.374 1.557 11.362 1.00 1.00 H new ATOM 0 HG22 ILE A 86 79.078 1.057 11.240 1.00 1.00 H new ATOM 0 HG23 ILE A 86 78.650 2.557 12.096 1.00 1.00 H new ATOM 0 HD11 ILE A 86 77.107 5.530 11.288 1.00 1.00 H new ATOM 0 HD12 ILE A 86 77.573 4.028 12.122 1.00 1.00 H new ATOM 0 HD13 ILE A 86 78.814 5.028 11.330 1.00 1.00 H new ATOM 1280 N CYS A 87 79.760 2.924 7.390 1.00 1.00 N ATOM 1281 CA CYS A 87 80.238 2.533 6.034 1.00 1.00 C ATOM 1282 C CYS A 87 81.573 3.224 5.748 1.00 1.00 C ATOM 1283 CB CYS A 87 79.209 2.966 4.988 1.00 1.00 C ATOM 1284 SG CYS A 87 77.871 1.749 4.916 1.00 1.00 S ATOM 0 H CYS A 87 78.813 3.301 7.424 1.00 1.00 H new ATOM 0 HA CYS A 87 80.369 1.452 5.991 1.00 1.00 H new ATOM 0 HB2 CYS A 87 78.809 3.948 5.241 1.00 1.00 H new ATOM 0 HB3 CYS A 87 79.684 3.058 4.011 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 59.565 -2.227 8.728 1.00 1.00 C HETATM 1291 O1G RCY A 110 60.252 -0.326 11.539 1.00 1.00 O HETATM 1292 O1H RCY A 110 59.690 -4.772 13.029 1.00 1.00 O HETATM 1293 O1J RCY A 110 56.777 -1.996 7.614 1.00 1.00 O HETATM 1294 C1L RCY A 110 61.363 -1.670 13.256 1.00 1.00 C HETATM 1295 C1M RCY A 110 57.026 -2.506 11.406 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.333 -1.388 12.155 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.876 -3.556 13.003 1.00 1.00 C HETATM 1298 N1R RCY A 110 59.419 -2.590 11.918 1.00 1.00 N HETATM 1299 C1S RCY A 110 60.608 -2.740 14.053 1.00 1.00 C HETATM 1300 C1U RCY A 110 58.326 -2.783 10.865 1.00 1.00 C HETATM 1301 C1V RCY A 110 58.620 -0.367 10.168 1.00 1.00 C HETATM 1302 N1V RCY A 110 57.090 -1.997 9.040 1.00 1.00 N HETATM 1303 C1W RCY A 110 56.124 -2.185 10.208 1.00 1.00 C HETATM 1304 C1X RCY A 110 58.452 -1.812 9.693 1.00 1.00 C HETATM 1305 C1Y RCY A 110 55.332 -0.899 10.459 1.00 1.00 C HETATM 1306 C1Z RCY A 110 55.181 -3.347 9.896 1.00 1.00 C HETATM 0 H1ZB RCY A 110 55.765 -4.237 9.661 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 54.549 -3.546 10.762 1.00 1.00 H new HETATM 0 H1YB RCY A 110 54.710 -1.022 11.346 1.00 1.00 H new HETATM 0 H1YA RCY A 110 56.023 -0.070 10.612 1.00 1.00 H new HETATM 0 H1VB RCY A 110 59.575 -0.262 10.683 1.00 1.00 H new HETATM 0 H1VA RCY A 110 58.595 0.304 9.309 1.00 1.00 H new HETATM 0 H1MA RCY A 110 56.645 -3.363 11.962 1.00 1.00 H new HETATM 0 H1LA RCY A 110 62.310 -2.036 12.858 1.00 1.00 H new HETATM 0 H1CB RCY A 110 60.517 -2.248 9.258 1.00 1.00 H new HETATM 0 H1CA RCY A 110 59.350 -3.218 8.329 1.00 1.00 H new HETATM 0 H1Z RCY A 110 54.555 -3.088 9.042 1.00 1.00 H new HETATM 0 H1Y RCY A 110 54.698 -0.688 9.598 1.00 1.00 H new HETATM 0 H1V RCY A 110 57.810 -0.112 10.851 1.00 1.00 H new HETATM 0 H1U RCY A 110 58.444 -3.817 10.542 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.912 -2.289 14.761 1.00 1.00 H new HETATM 0 H1M RCY A 110 57.064 -1.667 12.101 1.00 1.00 H new HETATM 0 H1L RCY A 110 61.588 -0.786 13.853 1.00 1.00 H new HETATM 0 H1C RCY A 110 59.622 -1.511 7.909 1.00 1.00 H new HETATM 1309 C1C RCY A 121 68.147 11.782 3.195 1.00 1.00 C HETATM 1310 O1G RCY A 121 67.599 9.971 8.109 1.00 1.00 O HETATM 1311 O1H RCY A 121 69.102 12.913 4.735 1.00 1.00 O HETATM 1312 O1J RCY A 121 69.684 9.208 2.914 1.00 1.00 O HETATM 1313 C1L RCY A 121 69.302 11.727 8.055 1.00 1.00 C HETATM 1314 C1M RCY A 121 66.703 9.123 5.325 1.00 1.00 C HETATM 1315 C1P RCY A 121 68.214 10.819 7.466 1.00 1.00 C HETATM 1316 C1Q RCY A 121 69.071 12.133 5.686 1.00 1.00 C HETATM 1317 N1R RCY A 121 67.991 11.100 5.981 1.00 1.00 N HETATM 1318 C1S RCY A 121 70.110 12.024 6.787 1.00 1.00 C HETATM 1319 C1U RCY A 121 66.954 10.504 5.026 1.00 1.00 C HETATM 1320 C1V RCY A 121 66.283 10.166 2.608 1.00 1.00 C HETATM 1321 N1V RCY A 121 68.414 9.329 3.624 1.00 1.00 N HETATM 1322 C1W RCY A 121 67.780 8.322 4.582 1.00 1.00 C HETATM 1323 C1X RCY A 121 67.427 10.486 3.573 1.00 1.00 C HETATM 1324 C1Y RCY A 121 67.149 7.165 3.803 1.00 1.00 C HETATM 1325 C1Z RCY A 121 68.850 7.804 5.543 1.00 1.00 C HETATM 0 H1ZB RCY A 121 69.328 8.646 6.043 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 68.388 7.155 6.287 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.630 6.501 4.494 1.00 1.00 H new HETATM 0 H1YA RCY A 121 66.439 7.560 3.077 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.555 10.977 2.624 1.00 1.00 H new HETATM 0 H1VA RCY A 121 66.679 10.054 1.599 1.00 1.00 H new HETATM 0 H1MA RCY A 121 66.754 8.942 6.399 1.00 1.00 H new HETATM 0 H1LA RCY A 121 68.892 12.629 8.510 1.00 1.00 H new HETATM 0 H1CB RCY A 121 67.469 12.626 3.324 1.00 1.00 H new HETATM 0 H1CA RCY A 121 69.018 11.915 3.837 1.00 1.00 H new HETATM 0 H1Z RCY A 121 69.598 7.241 4.985 1.00 1.00 H new HETATM 0 H1Y RCY A 121 67.929 6.609 3.283 1.00 1.00 H new HETATM 0 H1V RCY A 121 65.799 9.238 2.913 1.00 1.00 H new HETATM 0 H1U RCY A 121 66.076 11.136 5.154 1.00 1.00 H new HETATM 0 H1S RCY A 121 70.826 11.229 6.578 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.705 8.829 4.999 1.00 1.00 H new HETATM 0 H1L RCY A 121 69.895 11.226 8.820 1.00 1.00 H new HETATM 0 H1C RCY A 121 68.468 11.730 2.155 1.00 1.00 H new HETATM 1328 C1C RCY A 130 76.902 9.628 -3.039 1.00 1.00 C HETATM 1329 O1G RCY A 130 78.354 9.365 -5.354 1.00 1.00 O HETATM 1330 O1H RCY A 130 74.460 8.102 -7.709 1.00 1.00 O HETATM 1331 O1J RCY A 130 75.434 8.034 -0.948 1.00 1.00 O HETATM 1332 C1L RCY A 130 77.812 9.211 -7.736 1.00 1.00 C HETATM 1333 C1M RCY A 130 74.741 7.057 -4.591 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.543 9.072 -6.232 1.00 1.00 C HETATM 1335 C1Q RCY A 130 75.634 8.238 -7.367 1.00 1.00 C HETATM 1336 N1R RCY A 130 76.143 8.526 -5.960 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.847 8.150 -8.274 1.00 1.00 C HETATM 1338 C1U RCY A 130 75.426 8.317 -4.624 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.535 7.264 -3.699 1.00 1.00 C HETATM 1340 N1V RCY A 130 75.458 7.695 -2.368 1.00 1.00 N HETATM 1341 C1W RCY A 130 74.556 6.710 -3.108 1.00 1.00 C HETATM 1342 C1X RCY A 130 76.389 8.244 -3.440 1.00 1.00 C HETATM 1343 C1Y RCY A 130 74.996 5.269 -2.833 1.00 1.00 C HETATM 1344 C1Z RCY A 130 73.109 6.925 -2.664 1.00 1.00 C HETATM 0 H1ZB RCY A 130 72.834 7.969 -2.813 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 72.449 6.289 -3.254 1.00 1.00 H new HETATM 0 H1YB RCY A 130 74.396 4.585 -3.433 1.00 1.00 H new HETATM 0 H1YA RCY A 130 76.048 5.154 -3.094 1.00 1.00 H new HETATM 0 H1VB RCY A 130 78.162 7.643 -4.506 1.00 1.00 H new HETATM 0 H1VA RCY A 130 78.134 7.157 -2.794 1.00 1.00 H new HETATM 0 H1MA RCY A 130 73.779 7.124 -5.098 1.00 1.00 H new HETATM 0 H1LA RCY A 130 77.585 10.209 -8.110 1.00 1.00 H new HETATM 0 H1CB RCY A 130 77.428 10.079 -3.880 1.00 1.00 H new HETATM 0 H1CA RCY A 130 76.060 10.260 -2.757 1.00 1.00 H new HETATM 0 H1Z RCY A 130 73.011 6.670 -1.609 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.857 5.042 -1.776 1.00 1.00 H new HETATM 0 H1V RCY A 130 77.127 6.293 -3.981 1.00 1.00 H new HETATM 0 H1U RCY A 130 74.754 9.171 -4.543 1.00 1.00 H new HETATM 0 H1S RCY A 130 77.294 7.156 -8.243 1.00 1.00 H new HETATM 0 H1M RCY A 130 75.318 6.286 -5.102 1.00 1.00 H new HETATM 0 H1L RCY A 130 78.850 9.001 -7.996 1.00 1.00 H new HETATM 0 H1C RCY A 130 77.584 9.533 -2.194 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.499 0.547 -5.403 1.00 1.00 C HETATM 1348 O1G RCY A 138 79.673 0.064 -7.332 1.00 1.00 O HETATM 1349 O1H RCY A 138 84.263 -1.026 -7.121 1.00 1.00 O HETATM 1350 O1J RCY A 138 79.217 -2.369 -4.703 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.291 -0.701 -9.000 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.746 -0.904 -4.380 1.00 1.00 C HETATM 1353 C1P RCY A 138 80.830 -0.249 -7.609 1.00 1.00 C HETATM 1354 C1Q RCY A 138 83.175 -0.589 -7.494 1.00 1.00 C HETATM 1355 N1R RCY A 138 81.985 -0.236 -6.610 1.00 1.00 N HETATM 1356 C1S RCY A 138 82.769 -0.303 -8.928 1.00 1.00 C HETATM 1357 C1U RCY A 138 81.965 0.055 -5.108 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.515 0.505 -3.081 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.423 -1.582 -4.461 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.819 -2.096 -4.114 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.569 -0.067 -4.499 1.00 1.00 C HETATM 1362 C1Y RCY A 138 81.886 -2.513 -2.643 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.158 -3.277 -5.025 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.046 -2.977 -6.067 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.186 -3.591 -4.846 1.00 1.00 H new HETATM 0 H1YB RCY A 138 82.908 -2.798 -2.392 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.577 -1.678 -2.014 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.676 1.582 -3.117 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.620 -1.211 -4.954 1.00 1.00 H new HETATM 0 H1LA RCY A 138 81.154 -1.771 -9.158 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.714 1.605 -5.555 1.00 1.00 H new HETATM 0 H1CA RCY A 138 79.498 0.035 -6.365 1.00 1.00 H new HETATM 0 H1Z RCY A 138 81.483 -4.106 -4.812 1.00 1.00 H new HETATM 0 H1Y RCY A 138 81.221 -3.360 -2.474 1.00 1.00 H new HETATM 0 H1U RCY A 138 82.351 1.071 -5.026 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.909 0.749 -9.177 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.112 -0.479 -3.445 1.00 1.00 H new HETATM 0 H1L RCY A 138 80.760 -0.190 -9.803 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.521 0.440 -4.934 1.00 1.00 H new HETATM 1366 C1C RCY A 150 79.844 -9.016 -0.375 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.648 -9.512 -3.956 1.00 1.00 O HETATM 1368 O1H RCY A 150 75.160 -7.689 -1.348 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.718 -6.552 1.119 1.00 1.00 O HETATM 1370 C1L RCY A 150 76.238 -9.924 -3.859 1.00 1.00 C HETATM 1371 C1M RCY A 150 77.797 -6.083 -1.321 1.00 1.00 C HETATM 1372 C1P RCY A 150 77.561 -9.273 -3.433 1.00 1.00 C HETATM 1373 C1Q RCY A 150 75.880 -8.474 -1.962 1.00 1.00 C HETATM 1374 N1R RCY A 150 77.359 -8.293 -2.279 1.00 1.00 N HETATM 1375 C1S RCY A 150 75.455 -9.808 -2.547 1.00 1.00 C HETATM 1376 C1U RCY A 150 78.373 -7.365 -1.608 1.00 1.00 C HETATM 1377 C1V RCY A 150 77.649 -8.264 0.646 1.00 1.00 C HETATM 1378 N1V RCY A 150 79.512 -6.627 0.299 1.00 1.00 N HETATM 1379 C1W RCY A 150 78.652 -5.470 -0.204 1.00 1.00 C HETATM 1380 C1X RCY A 150 78.832 -7.876 -0.243 1.00 1.00 C HETATM 1381 C1Y RCY A 150 77.764 -4.934 0.922 1.00 1.00 C HETATM 1382 C1Z RCY A 150 79.562 -4.367 -0.744 1.00 1.00 C HETATM 0 H1ZB RCY A 150 80.227 -4.782 -1.501 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 78.954 -3.579 -1.188 1.00 1.00 H new HETATM 0 H1YA RCY A 150 77.172 -5.749 1.338 1.00 1.00 H new HETATM 0 H1VB RCY A 150 77.138 -9.126 0.216 1.00 1.00 H new HETATM 0 H1LA RCY A 150 75.757 -9.393 -4.681 1.00 1.00 H new HETATM 0 H1CB RCY A 150 79.389 -9.846 -0.916 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.719 -8.664 -0.921 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.155 -3.953 0.071 1.00 1.00 H new HETATM 0 H1S RCY A 150 75.691 -10.630 -1.871 1.00 1.00 H new HETATM 0 H1L RCY A 150 76.366 -10.958 -4.179 1.00 1.00 H new HETATM 0 H1C RCY A 150 80.146 -9.351 0.617 1.00 1.00 H new HETATM 1385 C1C RCY A 160 70.532 -3.797 -1.584 1.00 1.00 C HETATM 1386 O1G RCY A 160 66.999 -2.738 -1.551 1.00 1.00 O HETATM 1387 O1H RCY A 160 69.337 -0.787 -5.161 1.00 1.00 O HETATM 1388 O1J RCY A 160 72.096 -2.556 0.670 1.00 1.00 O HETATM 1389 C1L RCY A 160 66.415 -2.307 -3.888 1.00 1.00 C HETATM 1390 C1M RCY A 160 69.755 -0.195 -1.242 1.00 1.00 C HETATM 1391 C1P RCY A 160 67.312 -2.269 -2.644 1.00 1.00 C HETATM 1392 C1Q RCY A 160 68.452 -1.101 -4.367 1.00 1.00 C HETATM 1393 N1R RCY A 160 68.643 -1.575 -2.932 1.00 1.00 N HETATM 1394 C1S RCY A 160 66.959 -1.087 -4.641 1.00 1.00 C HETATM 1395 C1U RCY A 160 69.859 -1.396 -2.021 1.00 1.00 C HETATM 1396 C1V RCY A 160 68.670 -2.735 -0.231 1.00 1.00 C HETATM 1397 N1V RCY A 160 71.018 -1.881 -0.046 1.00 1.00 N HETATM 1398 C1W RCY A 160 70.673 -0.393 -0.029 1.00 1.00 C HETATM 1399 C1X RCY A 160 69.986 -2.503 -0.977 1.00 1.00 C HETATM 1400 C1Y RCY A 160 69.941 -0.028 1.265 1.00 1.00 C HETATM 1401 C1Z RCY A 160 71.960 0.420 -0.168 1.00 1.00 C HETATM 0 H1ZB RCY A 160 72.495 0.103 -1.063 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 71.715 1.479 -0.248 1.00 1.00 H new HETATM 0 H1YB RCY A 160 69.629 1.016 1.225 1.00 1.00 H new HETATM 0 H1YA RCY A 160 69.064 -0.665 1.379 1.00 1.00 H new HETATM 0 H1VB RCY A 160 67.925 -3.129 -0.922 1.00 1.00 H new HETATM 0 H1VA RCY A 160 68.830 -3.450 0.576 1.00 1.00 H new HETATM 0 H1MA RCY A 160 70.061 0.675 -1.824 1.00 1.00 H new HETATM 0 H1LA RCY A 160 66.527 -3.231 -4.455 1.00 1.00 H new HETATM 0 H1CB RCY A 160 69.859 -4.143 -2.369 1.00 1.00 H new HETATM 0 H1CA RCY A 160 71.519 -3.612 -2.008 1.00 1.00 H new HETATM 0 H1Z RCY A 160 72.589 0.258 0.707 1.00 1.00 H new HETATM 0 H1Y RCY A 160 70.608 -0.175 2.114 1.00 1.00 H new HETATM 0 H1V RCY A 160 68.316 -1.792 0.185 1.00 1.00 H new HETATM 0 H1U RCY A 160 70.708 -1.390 -2.704 1.00 1.00 H new HETATM 0 H1S RCY A 160 66.500 -0.165 -4.286 1.00 1.00 H new HETATM 0 H1M RCY A 160 68.726 -0.022 -0.928 1.00 1.00 H new HETATM 0 H1L RCY A 160 65.357 -2.209 -3.643 1.00 1.00 H new HETATM 0 H1C RCY A 160 70.607 -4.559 -0.809 1.00 1.00 H new HETATM 1404 C1C RCY A 168 75.765 -1.939 1.748 1.00 1.00 C HETATM 1405 O1G RCY A 168 71.448 0.052 3.636 1.00 1.00 O HETATM 1406 O1H RCY A 168 72.959 -3.075 0.436 1.00 1.00 O HETATM 1407 O1J RCY A 168 77.499 0.498 2.102 1.00 1.00 O HETATM 1408 C1L RCY A 168 70.550 -2.071 2.815 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.716 1.122 2.105 1.00 1.00 C HETATM 1410 C1P RCY A 168 71.545 -0.905 2.869 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.241 -2.340 1.113 1.00 1.00 C HETATM 1412 N1R RCY A 168 72.671 -1.079 1.852 1.00 1.00 N HETATM 1413 C1S RCY A 168 70.756 -2.525 1.366 1.00 1.00 C HETATM 1414 C1U RCY A 168 73.914 -0.216 1.624 1.00 1.00 C HETATM 1415 C1V RCY A 168 74.798 -0.960 3.877 1.00 1.00 C HETATM 1416 N1V RCY A 168 76.049 0.495 2.268 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.115 1.701 2.344 1.00 1.00 C HETATM 1418 C1X RCY A 168 75.130 -0.711 2.405 1.00 1.00 C HETATM 1419 C1Y RCY A 168 75.198 2.356 3.726 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.498 2.700 1.251 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.491 2.200 0.282 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.781 3.521 1.241 1.00 1.00 H new HETATM 0 H1YB RCY A 168 74.467 3.162 3.791 1.00 1.00 H new HETATM 0 H1YA RCY A 168 74.988 1.612 4.494 1.00 1.00 H new HETATM 0 H1VB RCY A 168 74.097 -1.791 3.956 1.00 1.00 H new HETATM 0 H1VA RCY A 168 75.711 -1.203 4.420 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.166 1.720 1.378 1.00 1.00 H new HETATM 0 H1LA RCY A 168 70.786 -2.854 3.535 1.00 1.00 H new HETATM 0 H1CB RCY A 168 75.034 -2.747 1.704 1.00 1.00 H new HETATM 0 H1Z RCY A 168 76.495 3.092 1.450 1.00 1.00 H new HETATM 0 H1Y RCY A 168 76.199 2.761 3.877 1.00 1.00 H new HETATM 0 H1V RCY A 168 74.349 -0.064 4.305 1.00 1.00 H new HETATM 0 H1U RCY A 168 74.081 -0.264 0.548 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.132 1.123 3.025 1.00 1.00 H new HETATM 0 H1L RCY A 168 69.526 -1.755 3.012 1.00 1.00 H new HETATM 0 H1C RCY A 168 76.626 -2.260 2.333 1.00 1.00 H new HETATM 1423 C1C RCY A 173 75.705 -4.714 1.625 1.00 1.00 C HETATM 1424 O1G RCY A 173 79.041 -7.773 -0.255 1.00 1.00 O HETATM 1425 O1H RCY A 173 76.091 -7.123 3.375 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.688 -3.477 -0.274 1.00 1.00 O HETATM 1427 C1L RCY A 173 79.271 -8.065 2.164 1.00 1.00 C HETATM 1428 C1M RCY A 173 76.450 -6.986 -1.199 1.00 1.00 C HETATM 1429 C1P RCY A 173 78.548 -7.677 0.868 1.00 1.00 C HETATM 1430 C1Q RCY A 173 77.097 -7.143 2.668 1.00 1.00 C HETATM 1431 N1R RCY A 173 77.139 -7.156 1.145 1.00 1.00 N HETATM 1432 C1S RCY A 173 78.534 -7.160 3.157 1.00 1.00 C HETATM 1433 C1U RCY A 173 76.044 -6.748 0.157 1.00 1.00 C HETATM 1434 C1V RCY A 173 74.460 -4.913 -0.575 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.956 -4.710 -0.545 1.00 1.00 N HETATM 1436 C1W RCY A 173 77.239 -5.745 -1.633 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.739 -5.252 0.193 1.00 1.00 C HETATM 1438 C1Y RCY A 173 76.746 -5.241 -2.992 1.00 1.00 C HETATM 1439 C1Z RCY A 173 78.741 -6.028 -1.675 1.00 1.00 C HETATM 0 H1YB RCY A 173 76.879 -6.023 -3.740 1.00 1.00 H new HETATM 0 H1YA RCY A 173 75.690 -4.981 -2.922 1.00 1.00 H new HETATM 0 H1VB RCY A 173 73.602 -5.353 -0.066 1.00 1.00 H new HETATM 0 H1VA RCY A 173 74.339 -3.831 -0.620 1.00 1.00 H new HETATM 0 H1LA RCY A 173 79.161 -9.123 2.403 1.00 1.00 H new HETATM 0 H1Z RCY A 173 79.272 -5.128 -1.986 1.00 1.00 H new HETATM 0 H1Y RCY A 173 77.318 -4.360 -3.283 1.00 1.00 H new HETATM 0 H1V RCY A 173 74.526 -5.313 -1.587 1.00 1.00 H new HETATM 0 H1U RCY A 173 75.179 -7.340 0.455 1.00 1.00 H new HETATM 0 H1S RCY A 173 78.960 -6.157 3.170 1.00 1.00 H new HETATM 0 H1L RCY A 173 80.340 -7.857 2.124 1.00 1.00 H new HETATM 1442 C1C RCY A 176 78.375 -3.084 -1.293 1.00 1.00 C HETATM 1443 O1G RCY A 176 78.003 -3.894 1.340 1.00 1.00 O HETATM 1444 O1H RCY A 176 82.211 -1.777 1.681 1.00 1.00 O HETATM 1445 O1J RCY A 176 75.984 -2.632 0.480 1.00 1.00 O HETATM 1446 C1L RCY A 176 80.071 -4.457 2.522 1.00 1.00 C HETATM 1447 C1M RCY A 176 78.901 -0.188 0.950 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.175 -3.623 1.597 1.00 1.00 C HETATM 1449 C1Q RCY A 176 81.329 -2.628 1.573 1.00 1.00 C HETATM 1450 N1R RCY A 176 79.920 -2.414 1.034 1.00 1.00 N HETATM 1451 C1S RCY A 176 81.447 -4.092 1.953 1.00 1.00 C HETATM 1452 C1U RCY A 176 79.397 -1.276 0.155 1.00 1.00 C HETATM 1453 C1V RCY A 176 77.875 -0.645 -1.767 1.00 1.00 C HETATM 1454 N1V RCY A 176 77.105 -1.704 0.367 1.00 1.00 N HETATM 1455 C1W RCY A 176 77.446 -0.535 1.289 1.00 1.00 C HETATM 1456 C1X RCY A 176 78.196 -1.687 -0.695 1.00 1.00 C HETATM 1457 C1Y RCY A 176 76.528 0.657 1.003 1.00 1.00 C HETATM 1458 C1Z RCY A 176 77.306 -0.986 2.743 1.00 1.00 C HETATM 0 H1ZB RCY A 176 77.921 -1.870 2.910 1.00 1.00 H new HETATM 0 H1LA RCY A 176 79.965 -4.177 3.570 1.00 1.00 H new HETATM 0 H1Z RCY A 176 76.263 -1.224 2.951 1.00 1.00 H new HETATM 0 H1S RCY A 176 81.694 -4.707 1.088 1.00 1.00 H new HETATM 0 H1L RCY A 176 79.861 -5.525 2.455 1.00 1.00 H new HETATM 0 H1C RCY A 176 77.500 -3.339 -1.890 1.00 1.00 H new HETATM 1461 C1C RCY A 187 76.473 1.970 -1.879 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.141 4.124 0.419 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.001 0.329 2.525 1.00 1.00 O HETATM 1464 O1J RCY A 187 77.649 -0.046 -3.782 1.00 1.00 O HETATM 1465 C1L RCY A 187 77.380 3.457 2.761 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.393 0.261 -0.380 1.00 1.00 C HETATM 1467 C1P RCY A 187 77.501 3.283 1.241 1.00 1.00 C HETATM 1468 C1Q RCY A 187 78.263 1.270 2.240 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.125 1.937 0.877 1.00 1.00 N HETATM 1470 C1S RCY A 187 77.318 1.986 3.188 1.00 1.00 C HETATM 1471 C1U RCY A 187 78.514 1.389 -0.497 1.00 1.00 C HETATM 1472 C1V RCY A 187 76.477 -0.113 -0.435 1.00 1.00 C HETATM 1473 N1V RCY A 187 78.041 0.083 -2.381 1.00 1.00 N HETATM 1474 C1W RCY A 187 79.267 -0.517 -1.695 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.319 0.846 -1.279 1.00 1.00 C HETATM 1476 C1Y RCY A 187 79.050 -2.008 -1.420 1.00 1.00 C HETATM 1477 C1Z RCY A 187 80.492 -0.306 -2.585 1.00 1.00 C HETATM 0 H1VA RCY A 187 75.704 -0.563 -1.058 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.421 0.584 -0.216 1.00 1.00 H new HETATM 0 H1LA RCY A 187 78.234 3.981 3.191 1.00 1.00 H new HETATM 0 H1CB RCY A 187 76.096 2.608 -1.080 1.00 1.00 H new HETATM 0 H1CA RCY A 187 77.085 2.563 -2.559 1.00 1.00 H new HETATM 0 H1V RCY A 187 77.116 -0.896 -0.028 1.00 1.00 H new HETATM 0 H1U RCY A 187 78.973 2.238 -1.004 1.00 1.00 H new HETATM 0 H1S RCY A 187 76.304 1.593 3.109 1.00 1.00 H new HETATM 0 H1L RCY A 187 76.488 4.013 3.048 1.00 1.00 H new HETATM 0 H1C RCY A 187 75.634 1.541 -2.427 1.00 1.00 H new