USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=20 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 24 ARGHH11 : A 24 ARG NH1 : A 130 RCY O1J :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1VB : A 121 RCY C1V : A 17 MET SD :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1LA : A 121 RCY C1L : A 17 MET SD :(H bumps) USER MOD NoAdj-H: A 121 RCY H1U : A 121 RCY C1U : A 17 MET CG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1L : A 121 RCY C1L : A 121 RCY C1U :(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 RCYH1YB : A 138 RCY C1Y : A 187 RCY C1M :(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 H1Z : A 138 RCY C1Z : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1YB : A 160 RCY C1Y : A 168 RCY C1C :(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 160 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YB : A 173 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1YA : A 173 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCYH1VB : A 173 RCY C1V : A 176 RCY N1V :(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 RCYH1CB : A 173 RCY C1C : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1Y : A 173 RCY C1Y : A 176 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 173 RCY H1V : A 173 RCY C1V : A 176 RCY N1V :(H bumps) USER MOD NoAdj-H: A 173 RCY H1U : A 173 RCY C1U : A 69 PRO CA :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 173 RCY H1C : A 173 RCY C1C : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1ZA : A 176 RCY C1Z : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 173 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Z : A 176 RCY C1Z : A 173 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 69 PRO CG :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 69 PRO CB :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 173 RCY N1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 138 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1M : A 187 RCY C1M : A 138 RCY C1Y :(H bumps) USER MOD Set 1.1: A 32 GLN :FLIP amide:sc= -1.1 F(o=-5,f=-2.3) USER MOD Set 1.2: A 34 GLN : amide:sc= -1.18 K(o=-2.3,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc=-0.00606 (180deg=-0.473) USER MOD Single : A 2 ASN : amide:sc= -0.0373 X(o=-0.037,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -122:sc= -1.12 (180deg=-3.05!) USER MOD Single : A 12 SER OG : rot 180:sc=-0.00529 USER MOD Single : A 14 THR OG1 : rot -62:sc= 1.04 USER MOD Single : A 17 MET CE :methyl -156:sc= -21.1! (180deg=-31.7!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= -0.284 (180deg=-1.63!) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc=-0.00358 (180deg=-0.151) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.00241) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.42) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -0.187 (180deg=-1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -24.4! (180deg=-26.6!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -1.15 (180deg=-1.92) USER MOD Single : A 48 GLN :FLIP amide:sc= -2.3! C(o=-3.1!,f=-2.3!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 44:sc= -0.237 USER MOD Single : A 65 THR OG1 : rot -130:sc= -1.72 USER MOD Single : A 74 ASN : amide:sc= -2.64! C(o=-2.6!,f=-2.6!) USER MOD Single : A 75 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-2.3!) USER MOD Single : A 79 HIS : no HD1:sc= -10.5! C(o=-11!,f=-14!) USER MOD Single : A 83 GLN : amide:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 57.461 -16.323 6.026 1.00 1.00 N ATOM 2 CA MET A 1 57.040 -14.895 6.066 1.00 1.00 C ATOM 3 C MET A 1 57.847 -14.154 7.134 1.00 1.00 C ATOM 4 O MET A 1 57.478 -14.120 8.291 1.00 1.00 O ATOM 5 CB MET A 1 55.550 -14.811 6.404 1.00 1.00 C ATOM 6 CG MET A 1 54.763 -15.741 5.479 1.00 1.00 C ATOM 7 SD MET A 1 53.001 -15.338 5.574 1.00 1.00 S ATOM 8 CE MET A 1 52.470 -16.299 4.136 1.00 1.00 C ATOM 0 H1 MET A 1 57.170 -16.746 5.121 1.00 1.00 H new ATOM 0 H2 MET A 1 58.495 -16.383 6.119 1.00 1.00 H new ATOM 0 H3 MET A 1 57.012 -16.839 6.809 1.00 1.00 H new ATOM 0 HA MET A 1 57.218 -14.437 5.093 1.00 1.00 H new ATOM 0 HB2 MET A 1 55.386 -15.092 7.444 1.00 1.00 H new ATOM 0 HB3 MET A 1 55.198 -13.786 6.291 1.00 1.00 H new ATOM 0 HG2 MET A 1 55.116 -15.635 4.453 1.00 1.00 H new ATOM 0 HG3 MET A 1 54.925 -16.780 5.766 1.00 1.00 H new ATOM 0 HE1 MET A 1 51.393 -16.192 4.005 1.00 1.00 H new ATOM 0 HE2 MET A 1 52.982 -15.934 3.245 1.00 1.00 H new ATOM 0 HE3 MET A 1 52.714 -17.350 4.290 1.00 1.00 H new ATOM 17 N ASN A 2 58.944 -13.559 6.755 1.00 1.00 N ATOM 18 CA ASN A 2 59.772 -12.821 7.750 1.00 1.00 C ATOM 19 C ASN A 2 59.007 -11.587 8.231 1.00 1.00 C ATOM 20 O ASN A 2 59.454 -10.868 9.102 1.00 1.00 O ATOM 21 CB ASN A 2 61.084 -12.381 7.098 1.00 1.00 C ATOM 22 CG ASN A 2 61.970 -13.604 6.855 1.00 1.00 C ATOM 23 OD1 ASN A 2 62.851 -13.896 7.639 1.00 1.00 O ATOM 24 ND2 ASN A 2 61.772 -14.338 5.794 1.00 1.00 N ATOM 0 H ASN A 2 59.303 -13.552 5.800 1.00 1.00 H new ATOM 0 HA ASN A 2 59.987 -13.472 8.597 1.00 1.00 H new ATOM 0 HB2 ASN A 2 60.881 -11.873 6.155 1.00 1.00 H new ATOM 0 HB3 ASN A 2 61.600 -11.667 7.740 1.00 1.00 H new ATOM 0 HD21 ASN A 2 62.357 -15.156 5.624 1.00 1.00 H new ATOM 0 HD22 ASN A 2 61.033 -14.093 5.135 1.00 1.00 H new ATOM 31 N LEU A 3 57.857 -11.333 7.668 1.00 1.00 N ATOM 32 CA LEU A 3 57.071 -10.142 8.093 1.00 1.00 C ATOM 33 C LEU A 3 57.969 -8.903 8.036 1.00 1.00 C ATOM 34 O LEU A 3 58.647 -8.573 8.988 1.00 1.00 O ATOM 35 CB LEU A 3 56.563 -10.351 9.525 1.00 1.00 C ATOM 36 CG LEU A 3 55.289 -9.532 9.741 1.00 1.00 C ATOM 37 CD1 LEU A 3 54.822 -9.686 11.189 1.00 1.00 C ATOM 38 CD2 LEU A 3 55.578 -8.057 9.453 1.00 1.00 C ATOM 0 H LEU A 3 57.429 -11.898 6.934 1.00 1.00 H new ATOM 0 HA LEU A 3 56.219 -10.004 7.428 1.00 1.00 H new ATOM 0 HB2 LEU A 3 56.362 -11.408 9.700 1.00 1.00 H new ATOM 0 HB3 LEU A 3 57.328 -10.049 10.241 1.00 1.00 H new ATOM 0 HG LEU A 3 54.509 -9.889 9.068 1.00 1.00 H new ATOM 0 HD11 LEU A 3 53.914 -9.102 11.343 1.00 1.00 H new ATOM 0 HD12 LEU A 3 54.617 -10.736 11.395 1.00 1.00 H new ATOM 0 HD13 LEU A 3 55.601 -9.329 11.863 1.00 1.00 H new ATOM 0 HD21 LEU A 3 54.671 -7.472 9.606 1.00 1.00 H new ATOM 0 HD22 LEU A 3 56.358 -7.701 10.126 1.00 1.00 H new ATOM 0 HD23 LEU A 3 55.911 -7.946 8.421 1.00 1.00 H new ATOM 50 N GLU A 4 57.982 -8.217 6.923 1.00 1.00 N ATOM 51 CA GLU A 4 58.841 -7.002 6.802 1.00 1.00 C ATOM 52 C GLU A 4 57.975 -5.748 6.971 1.00 1.00 C ATOM 53 O GLU A 4 56.800 -5.755 6.662 1.00 1.00 O ATOM 54 CB GLU A 4 59.505 -6.983 5.421 1.00 1.00 C ATOM 55 CG GLU A 4 58.491 -7.415 4.360 1.00 1.00 C ATOM 56 CD GLU A 4 58.375 -8.940 4.355 1.00 1.00 C ATOM 57 OE1 GLU A 4 59.403 -9.593 4.282 1.00 1.00 O ATOM 58 OE2 GLU A 4 57.259 -9.430 4.425 1.00 1.00 O ATOM 0 H GLU A 4 57.435 -8.446 6.093 1.00 1.00 H new ATOM 0 HA GLU A 4 59.610 -7.020 7.574 1.00 1.00 H new ATOM 0 HB2 GLU A 4 59.876 -5.983 5.198 1.00 1.00 H new ATOM 0 HB3 GLU A 4 60.365 -7.652 5.410 1.00 1.00 H new ATOM 0 HG2 GLU A 4 57.519 -6.967 4.567 1.00 1.00 H new ATOM 0 HG3 GLU A 4 58.803 -7.060 3.378 1.00 1.00 H new ATOM 65 N PRO A 5 58.551 -4.675 7.456 1.00 1.00 N ATOM 66 CA PRO A 5 57.817 -3.398 7.664 1.00 1.00 C ATOM 67 C PRO A 5 56.840 -3.101 6.519 1.00 1.00 C ATOM 68 O PRO A 5 57.001 -3.592 5.419 1.00 1.00 O ATOM 69 CB PRO A 5 58.934 -2.354 7.706 1.00 1.00 C ATOM 70 CG PRO A 5 60.129 -3.082 8.230 1.00 1.00 C ATOM 71 CD PRO A 5 59.963 -4.560 7.855 1.00 1.00 C ATOM 0 HA PRO A 5 57.202 -3.417 8.564 1.00 1.00 H new ATOM 0 HB2 PRO A 5 59.126 -1.943 6.715 1.00 1.00 H new ATOM 0 HB3 PRO A 5 58.668 -1.518 8.352 1.00 1.00 H new ATOM 0 HG2 PRO A 5 61.045 -2.677 7.800 1.00 1.00 H new ATOM 0 HG3 PRO A 5 60.206 -2.966 9.311 1.00 1.00 H new ATOM 0 HD2 PRO A 5 60.631 -4.842 7.041 1.00 1.00 H new ATOM 0 HD3 PRO A 5 60.193 -5.213 8.697 1.00 1.00 H new ATOM 79 N PRO A 6 55.834 -2.304 6.774 1.00 1.00 N ATOM 80 CA PRO A 6 54.818 -1.938 5.745 1.00 1.00 C ATOM 81 C PRO A 6 55.370 -0.944 4.717 1.00 1.00 C ATOM 82 O PRO A 6 56.168 -0.085 5.038 1.00 1.00 O ATOM 83 CB PRO A 6 53.692 -1.300 6.563 1.00 1.00 C ATOM 84 CG PRO A 6 54.363 -0.746 7.776 1.00 1.00 C ATOM 85 CD PRO A 6 55.555 -1.661 8.069 1.00 1.00 C ATOM 0 HA PRO A 6 54.496 -2.801 5.162 1.00 1.00 H new ATOM 0 HB2 PRO A 6 53.189 -0.516 5.997 1.00 1.00 H new ATOM 0 HB3 PRO A 6 52.934 -2.036 6.832 1.00 1.00 H new ATOM 0 HG2 PRO A 6 54.693 0.278 7.603 1.00 1.00 H new ATOM 0 HG3 PRO A 6 53.676 -0.721 8.622 1.00 1.00 H new ATOM 0 HD2 PRO A 6 56.415 -1.095 8.427 1.00 1.00 H new ATOM 0 HD3 PRO A 6 55.315 -2.396 8.837 1.00 1.00 H new ATOM 93 N LYS A 7 54.953 -1.054 3.486 1.00 1.00 N ATOM 94 CA LYS A 7 55.455 -0.116 2.444 1.00 1.00 C ATOM 95 C LYS A 7 54.641 -0.295 1.160 1.00 1.00 C ATOM 96 O LYS A 7 54.543 -1.379 0.621 1.00 1.00 O ATOM 97 CB LYS A 7 56.932 -0.409 2.161 1.00 1.00 C ATOM 98 CG LYS A 7 57.160 -1.922 2.144 1.00 1.00 C ATOM 99 CD LYS A 7 58.619 -2.215 1.789 1.00 1.00 C ATOM 100 CE LYS A 7 58.907 -1.728 0.367 1.00 1.00 C ATOM 101 NZ LYS A 7 59.432 -0.335 0.415 1.00 1.00 N ATOM 0 H LYS A 7 54.287 -1.753 3.157 1.00 1.00 H new ATOM 0 HA LYS A 7 55.351 0.910 2.798 1.00 1.00 H new ATOM 0 HB2 LYS A 7 57.222 0.024 1.204 1.00 1.00 H new ATOM 0 HB3 LYS A 7 57.558 0.055 2.923 1.00 1.00 H new ATOM 0 HG2 LYS A 7 56.919 -2.348 3.118 1.00 1.00 H new ATOM 0 HG3 LYS A 7 56.497 -2.392 1.418 1.00 1.00 H new ATOM 0 HD2 LYS A 7 59.283 -1.718 2.496 1.00 1.00 H new ATOM 0 HD3 LYS A 7 58.815 -3.285 1.865 1.00 1.00 H new ATOM 0 HE2 LYS A 7 59.632 -2.385 -0.114 1.00 1.00 H new ATOM 0 HE3 LYS A 7 57.997 -1.765 -0.232 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 58.818 0.287 -0.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 59.449 -0.004 1.401 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 60.396 -0.314 0.026 1.00 1.00 H new ATOM 115 N ALA A 8 54.055 0.762 0.668 1.00 1.00 N ATOM 116 CA ALA A 8 53.248 0.656 -0.580 1.00 1.00 C ATOM 117 C ALA A 8 52.856 2.058 -1.050 1.00 1.00 C ATOM 118 O ALA A 8 51.839 2.593 -0.655 1.00 1.00 O ATOM 119 CB ALA A 8 51.984 -0.161 -0.303 1.00 1.00 C ATOM 0 H ALA A 8 54.100 1.695 1.077 1.00 1.00 H new ATOM 0 HA ALA A 8 53.836 0.162 -1.354 1.00 1.00 H new ATOM 0 HB1 ALA A 8 51.394 -0.239 -1.216 1.00 1.00 H new ATOM 0 HB2 ALA A 8 52.263 -1.159 0.035 1.00 1.00 H new ATOM 0 HB3 ALA A 8 51.394 0.332 0.470 1.00 1.00 H new ATOM 125 N GLU A 9 53.656 2.658 -1.889 1.00 1.00 N ATOM 126 CA GLU A 9 53.330 4.027 -2.382 1.00 1.00 C ATOM 127 C GLU A 9 53.840 4.190 -3.816 1.00 1.00 C ATOM 128 O GLU A 9 53.350 5.007 -4.569 1.00 1.00 O ATOM 129 CB GLU A 9 54.003 5.066 -1.482 1.00 1.00 C ATOM 130 CG GLU A 9 53.327 5.068 -0.110 1.00 1.00 C ATOM 131 CD GLU A 9 53.886 6.215 0.734 1.00 1.00 C ATOM 132 OE1 GLU A 9 53.504 7.347 0.487 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.687 5.942 1.613 1.00 1.00 O ATOM 0 H GLU A 9 54.521 2.260 -2.254 1.00 1.00 H new ATOM 0 HA GLU A 9 52.250 4.172 -2.362 1.00 1.00 H new ATOM 0 HB2 GLU A 9 55.064 4.838 -1.376 1.00 1.00 H new ATOM 0 HB3 GLU A 9 53.933 6.055 -1.935 1.00 1.00 H new ATOM 0 HG2 GLU A 9 52.249 5.179 -0.225 1.00 1.00 H new ATOM 0 HG3 GLU A 9 53.498 4.116 0.393 1.00 1.00 H new ATOM 140 N CYS A 10 54.820 3.419 -4.199 1.00 1.00 N ATOM 141 CA CYS A 10 55.359 3.532 -5.583 1.00 1.00 C ATOM 142 C CYS A 10 54.363 2.919 -6.570 1.00 1.00 C ATOM 143 O CYS A 10 54.635 1.916 -7.198 1.00 1.00 O ATOM 144 CB CYS A 10 56.692 2.788 -5.675 1.00 1.00 C ATOM 145 SG CYS A 10 57.526 3.230 -7.219 1.00 1.00 S ATOM 0 H CYS A 10 55.271 2.716 -3.613 1.00 1.00 H new ATOM 0 HA CYS A 10 55.513 4.583 -5.828 1.00 1.00 H new ATOM 0 HB2 CYS A 10 57.322 3.043 -4.823 1.00 1.00 H new ATOM 0 HB3 CYS A 10 56.523 1.712 -5.636 1.00 1.00 H new ATOM 150 N ARG A 11 53.211 3.516 -6.710 1.00 1.00 N ATOM 151 CA ARG A 11 52.197 2.969 -7.656 1.00 1.00 C ATOM 152 C ARG A 11 52.531 3.426 -9.079 1.00 1.00 C ATOM 153 O ARG A 11 52.114 4.480 -9.517 1.00 1.00 O ATOM 154 CB ARG A 11 50.807 3.480 -7.265 1.00 1.00 C ATOM 155 CG ARG A 11 50.911 4.933 -6.796 1.00 1.00 C ATOM 156 CD ARG A 11 49.514 5.555 -6.749 1.00 1.00 C ATOM 157 NE ARG A 11 49.629 7.009 -6.444 1.00 1.00 N ATOM 158 CZ ARG A 11 49.908 7.402 -5.231 1.00 1.00 C ATOM 159 NH1 ARG A 11 50.086 6.521 -4.285 1.00 1.00 N ATOM 160 NH2 ARG A 11 50.008 8.675 -4.964 1.00 1.00 N ATOM 0 H ARG A 11 52.928 4.359 -6.210 1.00 1.00 H new ATOM 0 HA ARG A 11 52.207 1.880 -7.613 1.00 1.00 H new ATOM 0 HB2 ARG A 11 50.129 3.409 -8.116 1.00 1.00 H new ATOM 0 HB3 ARG A 11 50.390 2.860 -6.472 1.00 1.00 H new ATOM 0 HG2 ARG A 11 51.373 4.976 -5.810 1.00 1.00 H new ATOM 0 HG3 ARG A 11 51.551 5.500 -7.473 1.00 1.00 H new ATOM 0 HD2 ARG A 11 49.008 5.411 -7.704 1.00 1.00 H new ATOM 0 HD3 ARG A 11 48.909 5.060 -5.990 1.00 1.00 H new ATOM 0 HE ARG A 11 49.490 7.698 -7.184 1.00 1.00 H new ATOM 0 HH11 ARG A 11 50.007 5.526 -4.494 1.00 1.00 H new ATOM 0 HH12 ARG A 11 50.304 6.828 -3.337 1.00 1.00 H new ATOM 0 HH21 ARG A 11 49.868 9.364 -5.703 1.00 1.00 H new ATOM 0 HH22 ARG A 11 50.226 8.982 -4.016 1.00 1.00 H new ATOM 174 N SER A 12 53.280 2.640 -9.804 1.00 1.00 N ATOM 175 CA SER A 12 53.640 3.029 -11.198 1.00 1.00 C ATOM 176 C SER A 12 53.841 1.769 -12.043 1.00 1.00 C ATOM 177 O SER A 12 52.912 1.248 -12.627 1.00 1.00 O ATOM 178 CB SER A 12 54.933 3.844 -11.181 1.00 1.00 C ATOM 179 OG SER A 12 54.703 5.074 -10.508 1.00 1.00 O ATOM 0 H SER A 12 53.658 1.746 -9.492 1.00 1.00 H new ATOM 0 HA SER A 12 52.838 3.630 -11.627 1.00 1.00 H new ATOM 0 HB2 SER A 12 55.723 3.284 -10.680 1.00 1.00 H new ATOM 0 HB3 SER A 12 55.272 4.031 -12.200 1.00 1.00 H new ATOM 0 HG SER A 12 55.531 5.599 -10.494 1.00 1.00 H new ATOM 185 N ALA A 13 55.047 1.277 -12.114 1.00 1.00 N ATOM 186 CA ALA A 13 55.304 0.051 -12.922 1.00 1.00 C ATOM 187 C ALA A 13 56.668 -0.531 -12.544 1.00 1.00 C ATOM 188 O ALA A 13 56.791 -1.286 -11.600 1.00 1.00 O ATOM 189 CB ALA A 13 55.298 0.411 -14.409 1.00 1.00 C ATOM 0 H ALA A 13 55.865 1.670 -11.648 1.00 1.00 H new ATOM 0 HA ALA A 13 54.526 -0.686 -12.723 1.00 1.00 H new ATOM 0 HB1 ALA A 13 55.486 -0.485 -15.001 1.00 1.00 H new ATOM 0 HB2 ALA A 13 54.327 0.827 -14.679 1.00 1.00 H new ATOM 0 HB3 ALA A 13 56.077 1.147 -14.608 1.00 1.00 H new ATOM 195 N THR A 14 57.693 -0.186 -13.274 1.00 1.00 N ATOM 196 CA THR A 14 59.047 -0.720 -12.956 1.00 1.00 C ATOM 197 C THR A 14 60.093 0.001 -13.809 1.00 1.00 C ATOM 198 O THR A 14 61.101 -0.566 -14.182 1.00 1.00 O ATOM 199 CB THR A 14 59.087 -2.220 -13.259 1.00 1.00 C ATOM 200 OG1 THR A 14 60.438 -2.658 -13.295 1.00 1.00 O ATOM 201 CG2 THR A 14 58.426 -2.487 -14.612 1.00 1.00 C ATOM 0 H THR A 14 57.651 0.442 -14.076 1.00 1.00 H new ATOM 0 HA THR A 14 59.264 -0.556 -11.900 1.00 1.00 H new ATOM 0 HB THR A 14 58.549 -2.763 -12.482 1.00 1.00 H new ATOM 0 HG1 THR A 14 60.915 -2.189 -14.011 1.00 1.00 H new ATOM 0 HG21 THR A 14 58.455 -3.555 -14.827 1.00 1.00 H new ATOM 0 HG22 THR A 14 57.390 -2.151 -14.583 1.00 1.00 H new ATOM 0 HG23 THR A 14 58.962 -1.946 -15.392 1.00 1.00 H new ATOM 209 N ARG A 15 59.864 1.248 -14.120 1.00 1.00 N ATOM 210 CA ARG A 15 60.848 2.002 -14.947 1.00 1.00 C ATOM 211 C ARG A 15 61.993 2.491 -14.057 1.00 1.00 C ATOM 212 O ARG A 15 61.776 3.064 -13.009 1.00 1.00 O ATOM 213 CB ARG A 15 60.157 3.203 -15.599 1.00 1.00 C ATOM 214 CG ARG A 15 59.676 4.167 -14.513 1.00 1.00 C ATOM 215 CD ARG A 15 58.714 5.188 -15.126 1.00 1.00 C ATOM 216 NE ARG A 15 58.362 6.214 -14.104 1.00 1.00 N ATOM 217 CZ ARG A 15 59.250 7.093 -13.730 1.00 1.00 C ATOM 218 NH1 ARG A 15 60.447 7.075 -14.250 1.00 1.00 N ATOM 219 NH2 ARG A 15 58.942 7.992 -12.835 1.00 1.00 N ATOM 0 H ARG A 15 59.039 1.777 -13.837 1.00 1.00 H new ATOM 0 HA ARG A 15 61.245 1.349 -15.724 1.00 1.00 H new ATOM 0 HB2 ARG A 15 60.847 3.712 -16.272 1.00 1.00 H new ATOM 0 HB3 ARG A 15 59.313 2.867 -16.202 1.00 1.00 H new ATOM 0 HG2 ARG A 15 59.178 3.615 -13.716 1.00 1.00 H new ATOM 0 HG3 ARG A 15 60.527 4.678 -14.063 1.00 1.00 H new ATOM 0 HD2 ARG A 15 59.175 5.664 -15.991 1.00 1.00 H new ATOM 0 HD3 ARG A 15 57.813 4.688 -15.480 1.00 1.00 H new ATOM 0 HE ARG A 15 57.427 6.229 -13.697 1.00 1.00 H new ATOM 0 HH11 ARG A 15 60.689 6.373 -14.950 1.00 1.00 H new ATOM 0 HH12 ARG A 15 61.141 7.763 -13.957 1.00 1.00 H new ATOM 0 HH21 ARG A 15 58.007 8.007 -12.428 1.00 1.00 H new ATOM 0 HH22 ARG A 15 59.637 8.679 -12.543 1.00 1.00 H new ATOM 233 N VAL A 16 63.213 2.267 -14.467 1.00 1.00 N ATOM 234 CA VAL A 16 64.374 2.718 -13.645 1.00 1.00 C ATOM 235 C VAL A 16 64.868 4.070 -14.163 1.00 1.00 C ATOM 236 O VAL A 16 66.042 4.257 -14.415 1.00 1.00 O ATOM 237 CB VAL A 16 65.502 1.690 -13.750 1.00 1.00 C ATOM 238 CG1 VAL A 16 65.134 0.443 -12.943 1.00 1.00 C ATOM 239 CG2 VAL A 16 65.704 1.305 -15.217 1.00 1.00 C ATOM 0 H VAL A 16 63.456 1.791 -15.336 1.00 1.00 H new ATOM 0 HA VAL A 16 64.067 2.816 -12.604 1.00 1.00 H new ATOM 0 HB VAL A 16 66.423 2.119 -13.355 1.00 1.00 H new ATOM 0 HG11 VAL A 16 65.938 -0.289 -13.018 1.00 1.00 H new ATOM 0 HG12 VAL A 16 64.988 0.716 -11.898 1.00 1.00 H new ATOM 0 HG13 VAL A 16 64.213 0.013 -13.338 1.00 1.00 H new ATOM 0 HG21 VAL A 16 66.508 0.572 -15.294 1.00 1.00 H new ATOM 0 HG22 VAL A 16 64.783 0.876 -15.611 1.00 1.00 H new ATOM 0 HG23 VAL A 16 65.966 2.192 -15.793 1.00 1.00 H new ATOM 249 N MET A 17 63.981 5.014 -14.325 1.00 1.00 N ATOM 250 CA MET A 17 64.398 6.354 -14.828 1.00 1.00 C ATOM 251 C MET A 17 65.207 6.185 -16.117 1.00 1.00 C ATOM 252 O MET A 17 64.670 6.216 -17.206 1.00 1.00 O ATOM 253 CB MET A 17 65.258 7.051 -13.771 1.00 1.00 C ATOM 254 CG MET A 17 64.381 7.454 -12.584 1.00 1.00 C ATOM 255 SD MET A 17 65.433 7.912 -11.184 1.00 1.00 S ATOM 256 CE MET A 17 65.512 6.276 -10.415 1.00 1.00 C ATOM 0 H MET A 17 62.985 4.915 -14.131 1.00 1.00 H new ATOM 0 HA MET A 17 63.514 6.958 -15.031 1.00 1.00 H new ATOM 0 HB2 MET A 17 66.055 6.386 -13.439 1.00 1.00 H new ATOM 0 HB3 MET A 17 65.736 7.932 -14.199 1.00 1.00 H new ATOM 0 HG2 MET A 17 63.740 8.291 -12.860 1.00 1.00 H new ATOM 0 HG3 MET A 17 63.726 6.629 -12.306 1.00 1.00 H new ATOM 0 HE1 MET A 17 65.733 6.383 -9.353 1.00 1.00 H new ATOM 0 HE2 MET A 17 64.554 5.770 -10.537 1.00 1.00 H new ATOM 0 HE3 MET A 17 66.297 5.688 -10.891 1.00 1.00 H new ATOM 266 N GLY A 18 66.494 6.002 -16.001 1.00 1.00 N ATOM 267 CA GLY A 18 67.335 5.828 -17.220 1.00 1.00 C ATOM 268 C GLY A 18 67.740 7.199 -17.764 1.00 1.00 C ATOM 269 O GLY A 18 68.756 7.751 -17.390 1.00 1.00 O ATOM 0 H GLY A 18 66.999 5.965 -15.116 1.00 1.00 H new ATOM 0 HA2 GLY A 18 68.223 5.244 -16.981 1.00 1.00 H new ATOM 0 HA3 GLY A 18 66.783 5.273 -17.979 1.00 1.00 H new ATOM 273 N GLY A 19 66.954 7.754 -18.645 1.00 1.00 N ATOM 274 CA GLY A 19 67.295 9.089 -19.213 1.00 1.00 C ATOM 275 C GLY A 19 67.321 10.130 -18.093 1.00 1.00 C ATOM 276 O GLY A 19 68.368 10.611 -17.706 1.00 1.00 O ATOM 0 H GLY A 19 66.090 7.341 -18.996 1.00 1.00 H new ATOM 0 HA2 GLY A 19 68.265 9.048 -19.708 1.00 1.00 H new ATOM 0 HA3 GLY A 19 66.563 9.372 -19.969 1.00 1.00 H new ATOM 280 N PRO A 20 66.172 10.475 -17.576 1.00 1.00 N ATOM 281 CA PRO A 20 66.045 11.474 -16.482 1.00 1.00 C ATOM 282 C PRO A 20 67.169 11.350 -15.447 1.00 1.00 C ATOM 283 O PRO A 20 67.565 12.317 -14.827 1.00 1.00 O ATOM 284 CB PRO A 20 64.692 11.136 -15.859 1.00 1.00 C ATOM 285 CG PRO A 20 63.879 10.575 -16.980 1.00 1.00 C ATOM 286 CD PRO A 20 64.858 9.946 -17.977 1.00 1.00 C ATOM 0 HA PRO A 20 66.116 12.499 -16.847 1.00 1.00 H new ATOM 0 HB2 PRO A 20 64.800 10.414 -15.050 1.00 1.00 H new ATOM 0 HB3 PRO A 20 64.220 12.022 -15.435 1.00 1.00 H new ATOM 0 HG2 PRO A 20 63.175 9.830 -16.610 1.00 1.00 H new ATOM 0 HG3 PRO A 20 63.292 11.358 -17.459 1.00 1.00 H new ATOM 0 HD2 PRO A 20 64.834 8.857 -17.925 1.00 1.00 H new ATOM 0 HD3 PRO A 20 64.614 10.222 -19.003 1.00 1.00 H new ATOM 294 N CYS A 21 67.687 10.167 -15.259 1.00 1.00 N ATOM 295 CA CYS A 21 68.785 9.984 -14.268 1.00 1.00 C ATOM 296 C CYS A 21 70.108 10.443 -14.887 1.00 1.00 C ATOM 297 O CYS A 21 70.577 9.883 -15.858 1.00 1.00 O ATOM 298 CB CYS A 21 68.881 8.502 -13.884 1.00 1.00 C ATOM 299 SG CYS A 21 68.278 8.277 -12.192 1.00 1.00 S ATOM 0 H CYS A 21 67.398 9.320 -15.748 1.00 1.00 H new ATOM 0 HA CYS A 21 68.578 10.576 -13.376 1.00 1.00 H new ATOM 0 HB2 CYS A 21 68.293 7.898 -14.574 1.00 1.00 H new ATOM 0 HB3 CYS A 21 69.913 8.161 -13.962 1.00 1.00 H new ATOM 304 N THR A 22 70.713 11.458 -14.333 1.00 1.00 N ATOM 305 CA THR A 22 72.004 11.950 -14.891 1.00 1.00 C ATOM 306 C THR A 22 73.132 11.003 -14.465 1.00 1.00 C ATOM 307 O THR A 22 73.031 10.325 -13.462 1.00 1.00 O ATOM 308 CB THR A 22 72.290 13.361 -14.359 1.00 1.00 C ATOM 309 OG1 THR A 22 73.684 13.503 -14.124 1.00 1.00 O ATOM 310 CG2 THR A 22 71.525 13.581 -13.053 1.00 1.00 C ATOM 0 H THR A 22 70.369 11.967 -13.519 1.00 1.00 H new ATOM 0 HA THR A 22 71.943 11.981 -15.979 1.00 1.00 H new ATOM 0 HB THR A 22 71.968 14.099 -15.094 1.00 1.00 H new ATOM 0 HG1 THR A 22 73.869 14.404 -13.786 1.00 1.00 H new ATOM 0 HG21 THR A 22 71.729 14.583 -12.676 1.00 1.00 H new ATOM 0 HG22 THR A 22 70.456 13.472 -13.235 1.00 1.00 H new ATOM 0 HG23 THR A 22 71.844 12.844 -12.316 1.00 1.00 H new ATOM 318 N PRO A 23 74.200 10.957 -15.221 1.00 1.00 N ATOM 319 CA PRO A 23 75.362 10.080 -14.913 1.00 1.00 C ATOM 320 C PRO A 23 75.682 10.050 -13.415 1.00 1.00 C ATOM 321 O PRO A 23 75.396 10.983 -12.691 1.00 1.00 O ATOM 322 CB PRO A 23 76.505 10.723 -15.699 1.00 1.00 C ATOM 323 CG PRO A 23 75.851 11.381 -16.870 1.00 1.00 C ATOM 324 CD PRO A 23 74.420 11.737 -16.450 1.00 1.00 C ATOM 0 HA PRO A 23 75.178 9.040 -15.183 1.00 1.00 H new ATOM 0 HB2 PRO A 23 77.043 11.449 -15.089 1.00 1.00 H new ATOM 0 HB3 PRO A 23 77.231 9.976 -16.021 1.00 1.00 H new ATOM 0 HG2 PRO A 23 76.399 12.276 -17.164 1.00 1.00 H new ATOM 0 HG3 PRO A 23 75.844 10.714 -17.732 1.00 1.00 H new ATOM 0 HD2 PRO A 23 74.313 12.806 -16.268 1.00 1.00 H new ATOM 0 HD3 PRO A 23 73.700 11.472 -17.224 1.00 1.00 H new ATOM 332 N ARG A 24 76.274 8.986 -12.945 1.00 1.00 N ATOM 333 CA ARG A 24 76.609 8.901 -11.496 1.00 1.00 C ATOM 334 C ARG A 24 77.766 9.854 -11.185 1.00 1.00 C ATOM 335 O ARG A 24 78.422 9.738 -10.169 1.00 1.00 O ATOM 336 CB ARG A 24 77.020 7.467 -11.148 1.00 1.00 C ATOM 337 CG ARG A 24 77.929 6.914 -12.248 1.00 1.00 C ATOM 338 CD ARG A 24 78.598 5.628 -11.759 1.00 1.00 C ATOM 339 NE ARG A 24 77.588 4.534 -11.700 1.00 1.00 N ATOM 340 CZ ARG A 24 76.899 4.341 -10.608 1.00 1.00 C ATOM 341 NH1 ARG A 24 77.095 5.105 -9.569 1.00 1.00 N ATOM 342 NH2 ARG A 24 76.014 3.383 -10.556 1.00 1.00 N ATOM 0 H ARG A 24 76.540 8.173 -13.501 1.00 1.00 H new ATOM 0 HA ARG A 24 75.737 9.181 -10.904 1.00 1.00 H new ATOM 0 HB2 ARG A 24 77.539 7.449 -10.190 1.00 1.00 H new ATOM 0 HB3 ARG A 24 76.135 6.839 -11.043 1.00 1.00 H new ATOM 0 HG2 ARG A 24 77.348 6.715 -13.148 1.00 1.00 H new ATOM 0 HG3 ARG A 24 78.686 7.652 -12.514 1.00 1.00 H new ATOM 0 HD2 ARG A 24 79.411 5.351 -12.430 1.00 1.00 H new ATOM 0 HD3 ARG A 24 79.037 5.786 -10.774 1.00 1.00 H new ATOM 0 HE ARG A 24 77.435 3.936 -12.512 1.00 1.00 H new ATOM 0 HH12 ARG A 24 76.556 4.954 -8.716 1.00 1.00 H new ATOM 0 HH21 ARG A 24 75.861 2.785 -11.368 1.00 1.00 H new ATOM 0 HH22 ARG A 24 75.476 3.232 -9.703 1.00 1.00 H new ATOM 356 N LYS A 25 78.020 10.796 -12.051 1.00 1.00 N ATOM 357 CA LYS A 25 79.132 11.756 -11.805 1.00 1.00 C ATOM 358 C LYS A 25 78.807 12.609 -10.577 1.00 1.00 C ATOM 359 O LYS A 25 77.959 12.265 -9.777 1.00 1.00 O ATOM 360 CB LYS A 25 79.302 12.664 -13.025 1.00 1.00 C ATOM 361 CG LYS A 25 78.020 13.469 -13.247 1.00 1.00 C ATOM 362 CD LYS A 25 78.060 14.122 -14.630 1.00 1.00 C ATOM 363 CE LYS A 25 78.980 15.344 -14.592 1.00 1.00 C ATOM 364 NZ LYS A 25 78.526 16.274 -13.521 1.00 1.00 N ATOM 0 H LYS A 25 77.505 10.942 -12.919 1.00 1.00 H new ATOM 0 HA LYS A 25 80.056 11.204 -11.631 1.00 1.00 H new ATOM 0 HB2 LYS A 25 80.145 13.338 -12.875 1.00 1.00 H new ATOM 0 HB3 LYS A 25 79.525 12.066 -13.908 1.00 1.00 H new ATOM 0 HG2 LYS A 25 77.150 12.817 -13.166 1.00 1.00 H new ATOM 0 HG3 LYS A 25 77.919 14.232 -12.476 1.00 1.00 H new ATOM 0 HD2 LYS A 25 78.418 13.407 -15.371 1.00 1.00 H new ATOM 0 HD3 LYS A 25 77.056 14.419 -14.933 1.00 1.00 H new ATOM 0 HE2 LYS A 25 80.008 15.033 -14.407 1.00 1.00 H new ATOM 0 HE3 LYS A 25 78.969 15.851 -15.557 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 78.747 17.253 -13.794 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 77.499 16.175 -13.388 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 79.014 16.044 -12.632 1.00 1.00 H new ATOM 378 N GLY A 26 79.474 13.719 -10.421 1.00 1.00 N ATOM 379 CA GLY A 26 79.205 14.595 -9.245 1.00 1.00 C ATOM 380 C GLY A 26 80.501 15.285 -8.815 1.00 1.00 C ATOM 381 O GLY A 26 81.522 15.162 -9.463 1.00 1.00 O ATOM 0 H GLY A 26 80.195 14.058 -11.058 1.00 1.00 H new ATOM 0 HA2 GLY A 26 78.451 15.340 -9.498 1.00 1.00 H new ATOM 0 HA3 GLY A 26 78.805 14.003 -8.421 1.00 1.00 H new ATOM 385 N PRO A 27 80.456 16.005 -7.727 1.00 1.00 N ATOM 386 CA PRO A 27 81.641 16.732 -7.191 1.00 1.00 C ATOM 387 C PRO A 27 82.913 15.867 -7.220 1.00 1.00 C ATOM 388 O PRO A 27 82.899 14.731 -6.791 1.00 1.00 O ATOM 389 CB PRO A 27 81.238 17.048 -5.749 1.00 1.00 C ATOM 390 CG PRO A 27 79.749 17.145 -5.775 1.00 1.00 C ATOM 391 CD PRO A 27 79.265 16.207 -6.885 1.00 1.00 C ATOM 0 HA PRO A 27 81.884 17.615 -7.781 1.00 1.00 H new ATOM 0 HB2 PRO A 27 81.570 16.266 -5.066 1.00 1.00 H new ATOM 0 HB3 PRO A 27 81.688 17.981 -5.409 1.00 1.00 H new ATOM 0 HG2 PRO A 27 79.326 16.856 -4.813 1.00 1.00 H new ATOM 0 HG3 PRO A 27 79.431 18.170 -5.969 1.00 1.00 H new ATOM 0 HD2 PRO A 27 78.899 15.264 -6.479 1.00 1.00 H new ATOM 0 HD3 PRO A 27 78.446 16.649 -7.452 1.00 1.00 H new ATOM 399 N PRO A 28 84.006 16.395 -7.722 1.00 1.00 N ATOM 400 CA PRO A 28 85.293 15.645 -7.799 1.00 1.00 C ATOM 401 C PRO A 28 85.584 14.850 -6.521 1.00 1.00 C ATOM 402 O PRO A 28 85.197 15.236 -5.436 1.00 1.00 O ATOM 403 CB PRO A 28 86.335 16.747 -7.993 1.00 1.00 C ATOM 404 CG PRO A 28 85.607 17.850 -8.691 1.00 1.00 C ATOM 405 CD PRO A 28 84.137 17.756 -8.267 1.00 1.00 C ATOM 0 HA PRO A 28 85.284 14.903 -8.597 1.00 1.00 H new ATOM 0 HB2 PRO A 28 86.737 17.083 -7.037 1.00 1.00 H new ATOM 0 HB3 PRO A 28 87.178 16.393 -8.587 1.00 1.00 H new ATOM 0 HG2 PRO A 28 86.025 18.820 -8.420 1.00 1.00 H new ATOM 0 HG3 PRO A 28 85.703 17.752 -9.772 1.00 1.00 H new ATOM 0 HD2 PRO A 28 83.889 18.510 -7.520 1.00 1.00 H new ATOM 0 HD3 PRO A 28 83.468 17.913 -9.113 1.00 1.00 H new ATOM 413 N LYS A 29 86.267 13.744 -6.644 1.00 1.00 N ATOM 414 CA LYS A 29 86.589 12.924 -5.441 1.00 1.00 C ATOM 415 C LYS A 29 85.295 12.489 -4.753 1.00 1.00 C ATOM 416 O LYS A 29 85.319 11.828 -3.734 1.00 1.00 O ATOM 417 CB LYS A 29 87.433 13.752 -4.467 1.00 1.00 C ATOM 418 CG LYS A 29 88.502 14.523 -5.244 1.00 1.00 C ATOM 419 CD LYS A 29 89.513 15.123 -4.265 1.00 1.00 C ATOM 420 CE LYS A 29 90.362 16.171 -4.986 1.00 1.00 C ATOM 421 NZ LYS A 29 89.572 17.424 -5.149 1.00 1.00 N ATOM 0 H LYS A 29 86.616 13.372 -7.527 1.00 1.00 H new ATOM 0 HA LYS A 29 87.150 12.041 -5.747 1.00 1.00 H new ATOM 0 HB2 LYS A 29 86.797 14.446 -3.917 1.00 1.00 H new ATOM 0 HB3 LYS A 29 87.903 13.099 -3.731 1.00 1.00 H new ATOM 0 HG2 LYS A 29 89.008 13.858 -5.944 1.00 1.00 H new ATOM 0 HG3 LYS A 29 88.038 15.313 -5.834 1.00 1.00 H new ATOM 0 HD2 LYS A 29 88.993 15.578 -3.422 1.00 1.00 H new ATOM 0 HD3 LYS A 29 90.152 14.339 -3.859 1.00 1.00 H new ATOM 0 HE2 LYS A 29 91.270 16.372 -4.418 1.00 1.00 H new ATOM 0 HE3 LYS A 29 90.673 15.795 -5.961 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 90.214 18.213 -5.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 88.891 17.306 -5.926 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 89.059 17.628 -4.268 1.00 1.00 H new ATOM 435 N CYS A 30 84.166 12.854 -5.303 1.00 1.00 N ATOM 436 CA CYS A 30 82.864 12.465 -4.686 1.00 1.00 C ATOM 437 C CYS A 30 82.967 12.566 -3.162 1.00 1.00 C ATOM 438 O CYS A 30 82.431 11.750 -2.440 1.00 1.00 O ATOM 439 CB CYS A 30 82.520 11.027 -5.083 1.00 1.00 C ATOM 440 SG CYS A 30 83.569 9.878 -4.158 1.00 1.00 S ATOM 0 H CYS A 30 84.090 13.407 -6.157 1.00 1.00 H new ATOM 0 HA CYS A 30 82.081 13.136 -5.039 1.00 1.00 H new ATOM 0 HB2 CYS A 30 81.469 10.823 -4.877 1.00 1.00 H new ATOM 0 HB3 CYS A 30 82.668 10.889 -6.154 1.00 1.00 H new ATOM 445 N LYS A 31 83.655 13.564 -2.674 1.00 1.00 N ATOM 446 CA LYS A 31 83.804 13.730 -1.199 1.00 1.00 C ATOM 447 C LYS A 31 84.484 12.491 -0.609 1.00 1.00 C ATOM 448 O LYS A 31 84.176 11.371 -0.965 1.00 1.00 O ATOM 449 CB LYS A 31 82.425 13.917 -0.552 1.00 1.00 C ATOM 450 CG LYS A 31 81.683 15.062 -1.244 1.00 1.00 C ATOM 451 CD LYS A 31 82.097 16.394 -0.615 1.00 1.00 C ATOM 452 CE LYS A 31 81.218 16.678 0.604 1.00 1.00 C ATOM 453 NZ LYS A 31 79.926 17.271 0.158 1.00 1.00 N ATOM 0 H LYS A 31 84.122 14.275 -3.237 1.00 1.00 H new ATOM 0 HA LYS A 31 84.415 14.610 -0.998 1.00 1.00 H new ATOM 0 HB2 LYS A 31 81.847 12.996 -0.631 1.00 1.00 H new ATOM 0 HB3 LYS A 31 82.537 14.133 0.511 1.00 1.00 H new ATOM 0 HG2 LYS A 31 81.911 15.065 -2.310 1.00 1.00 H new ATOM 0 HG3 LYS A 31 80.606 14.922 -1.148 1.00 1.00 H new ATOM 0 HD2 LYS A 31 83.146 16.359 -0.320 1.00 1.00 H new ATOM 0 HD3 LYS A 31 81.998 17.199 -1.344 1.00 1.00 H new ATOM 0 HE2 LYS A 31 81.036 15.756 1.157 1.00 1.00 H new ATOM 0 HE3 LYS A 31 81.729 17.361 1.283 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 79.218 17.169 0.913 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 80.062 18.280 -0.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 79.595 16.779 -0.696 1.00 1.00 H new ATOM 467 N GLN A 32 85.410 12.685 0.289 1.00 1.00 N ATOM 468 CA GLN A 32 86.113 11.522 0.900 1.00 1.00 C ATOM 469 C GLN A 32 86.746 10.671 -0.204 1.00 1.00 C ATOM 470 O GLN A 32 86.106 9.820 -0.789 1.00 1.00 O ATOM 471 CB GLN A 32 85.110 10.675 1.690 1.00 1.00 C ATOM 472 CG GLN A 32 85.863 9.768 2.665 1.00 1.00 C ATOM 473 CD GLN A 32 84.866 8.877 3.408 1.00 1.00 C ATOM 474 OE1 GLN A 32 83.689 8.661 2.887 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 85.161 8.371 4.473 1.00 1.00 N flip ATOM 0 H GLN A 32 85.710 13.599 0.626 1.00 1.00 H new ATOM 0 HA GLN A 32 86.892 11.881 1.573 1.00 1.00 H new ATOM 0 HB2 GLN A 32 84.422 11.321 2.235 1.00 1.00 H new ATOM 0 HB3 GLN A 32 84.509 10.074 1.008 1.00 1.00 H new ATOM 0 HG2 GLN A 32 86.583 9.154 2.124 1.00 1.00 H new ATOM 0 HG3 GLN A 32 86.428 10.371 3.376 1.00 1.00 H new ATOM 0 HE21 GLN A 32 86.081 8.540 4.880 1.00 1.00 H new ATOM 0 HE22 GLN A 32 84.489 7.778 4.959 1.00 1.00 H new ATOM 484 N ARG A 33 87.998 10.897 -0.493 1.00 1.00 N ATOM 485 CA ARG A 33 88.673 10.104 -1.560 1.00 1.00 C ATOM 486 C ARG A 33 88.766 8.639 -1.128 1.00 1.00 C ATOM 487 O ARG A 33 89.306 8.321 -0.088 1.00 1.00 O ATOM 488 CB ARG A 33 90.080 10.658 -1.791 1.00 1.00 C ATOM 489 CG ARG A 33 90.675 10.032 -3.054 1.00 1.00 C ATOM 490 CD ARG A 33 92.052 10.641 -3.326 1.00 1.00 C ATOM 491 NE ARG A 33 92.824 10.711 -2.054 1.00 1.00 N ATOM 492 CZ ARG A 33 93.966 11.341 -2.018 1.00 1.00 C ATOM 493 NH1 ARG A 33 94.432 11.910 -3.096 1.00 1.00 N ATOM 494 NH2 ARG A 33 94.642 11.403 -0.903 1.00 1.00 N ATOM 0 H ARG A 33 88.583 11.597 -0.037 1.00 1.00 H new ATOM 0 HA ARG A 33 88.098 10.173 -2.483 1.00 1.00 H new ATOM 0 HB2 ARG A 33 90.043 11.743 -1.893 1.00 1.00 H new ATOM 0 HB3 ARG A 33 90.714 10.440 -0.931 1.00 1.00 H new ATOM 0 HG2 ARG A 33 90.761 8.952 -2.932 1.00 1.00 H new ATOM 0 HG3 ARG A 33 90.015 10.205 -3.904 1.00 1.00 H new ATOM 0 HD2 ARG A 33 92.590 10.038 -4.058 1.00 1.00 H new ATOM 0 HD3 ARG A 33 91.943 11.638 -3.753 1.00 1.00 H new ATOM 0 HE ARG A 33 92.460 10.266 -1.211 1.00 1.00 H new ATOM 0 HH11 ARG A 33 93.903 11.862 -3.967 1.00 1.00 H new ATOM 0 HH12 ARG A 33 95.325 12.402 -3.068 1.00 1.00 H new ATOM 0 HH21 ARG A 33 94.277 10.959 -0.060 1.00 1.00 H new ATOM 0 HH22 ARG A 33 95.535 11.895 -0.875 1.00 1.00 H new ATOM 508 N GLN A 34 88.244 7.743 -1.923 1.00 1.00 N ATOM 509 CA GLN A 34 88.302 6.296 -1.562 1.00 1.00 C ATOM 510 C GLN A 34 88.386 5.458 -2.839 1.00 1.00 C ATOM 511 O GLN A 34 87.436 4.811 -3.233 1.00 1.00 O ATOM 512 CB GLN A 34 87.041 5.912 -0.785 1.00 1.00 C ATOM 513 CG GLN A 34 86.954 6.748 0.493 1.00 1.00 C ATOM 514 CD GLN A 34 85.912 6.139 1.433 1.00 1.00 C ATOM 515 OE1 GLN A 34 84.851 6.698 1.626 1.00 1.00 O ATOM 516 NE2 GLN A 34 86.171 5.008 2.029 1.00 1.00 N ATOM 0 H GLN A 34 87.780 7.951 -2.807 1.00 1.00 H new ATOM 0 HA GLN A 34 89.180 6.110 -0.944 1.00 1.00 H new ATOM 0 HB2 GLN A 34 86.157 6.077 -1.401 1.00 1.00 H new ATOM 0 HB3 GLN A 34 87.063 4.851 -0.537 1.00 1.00 H new ATOM 0 HG2 GLN A 34 87.926 6.782 0.984 1.00 1.00 H new ATOM 0 HG3 GLN A 34 86.683 7.776 0.250 1.00 1.00 H new ATOM 0 HE21 GLN A 34 87.062 4.538 1.867 1.00 1.00 H new ATOM 0 HE22 GLN A 34 85.483 4.593 2.657 1.00 1.00 H new ATOM 525 N THR A 35 89.517 5.466 -3.491 1.00 1.00 N ATOM 526 CA THR A 35 89.662 4.672 -4.743 1.00 1.00 C ATOM 527 C THR A 35 89.703 3.181 -4.402 1.00 1.00 C ATOM 528 O THR A 35 89.249 2.348 -5.161 1.00 1.00 O ATOM 529 CB THR A 35 90.960 5.070 -5.450 1.00 1.00 C ATOM 530 OG1 THR A 35 91.012 6.484 -5.579 1.00 1.00 O ATOM 531 CG2 THR A 35 91.006 4.427 -6.837 1.00 1.00 C ATOM 0 H THR A 35 90.347 5.988 -3.210 1.00 1.00 H new ATOM 0 HA THR A 35 88.814 4.870 -5.399 1.00 1.00 H new ATOM 0 HB THR A 35 91.813 4.726 -4.865 1.00 1.00 H new ATOM 0 HG1 THR A 35 91.843 6.741 -6.030 1.00 1.00 H new ATOM 0 HG21 THR A 35 91.931 4.711 -7.339 1.00 1.00 H new ATOM 0 HG22 THR A 35 90.966 3.342 -6.737 1.00 1.00 H new ATOM 0 HG23 THR A 35 90.154 4.769 -7.425 1.00 1.00 H new ATOM 539 N ARG A 36 90.246 2.836 -3.266 1.00 1.00 N ATOM 540 CA ARG A 36 90.317 1.399 -2.880 1.00 1.00 C ATOM 541 C ARG A 36 90.744 1.292 -1.412 1.00 1.00 C ATOM 542 O ARG A 36 91.253 0.279 -0.975 1.00 1.00 O ATOM 543 CB ARG A 36 91.342 0.683 -3.776 1.00 1.00 C ATOM 544 CG ARG A 36 90.632 -0.377 -4.620 1.00 1.00 C ATOM 545 CD ARG A 36 91.604 -0.939 -5.659 1.00 1.00 C ATOM 546 NE ARG A 36 92.979 -0.967 -5.088 1.00 1.00 N ATOM 547 CZ ARG A 36 93.350 -1.962 -4.329 1.00 1.00 C ATOM 548 NH1 ARG A 36 92.516 -2.931 -4.070 1.00 1.00 N ATOM 549 NH2 ARG A 36 94.556 -1.987 -3.829 1.00 1.00 N ATOM 0 H ARG A 36 90.643 3.487 -2.589 1.00 1.00 H new ATOM 0 HA ARG A 36 89.340 0.932 -3.007 1.00 1.00 H new ATOM 0 HB2 ARG A 36 91.841 1.404 -4.424 1.00 1.00 H new ATOM 0 HB3 ARG A 36 92.114 0.218 -3.163 1.00 1.00 H new ATOM 0 HG2 ARG A 36 90.263 -1.179 -3.980 1.00 1.00 H new ATOM 0 HG3 ARG A 36 89.765 0.059 -5.116 1.00 1.00 H new ATOM 0 HD2 ARG A 36 91.300 -1.944 -5.951 1.00 1.00 H new ATOM 0 HD3 ARG A 36 91.585 -0.325 -6.560 1.00 1.00 H new ATOM 0 HE ARG A 36 93.631 -0.209 -5.290 1.00 1.00 H new ATOM 0 HH11 ARG A 36 91.574 -2.911 -4.461 1.00 1.00 H new ATOM 0 HH12 ARG A 36 92.806 -3.709 -3.477 1.00 1.00 H new ATOM 0 HH21 ARG A 36 95.208 -1.229 -4.032 1.00 1.00 H new ATOM 0 HH22 ARG A 36 94.846 -2.764 -3.236 1.00 1.00 H new ATOM 563 N GLN A 37 90.544 2.332 -0.649 1.00 1.00 N ATOM 564 CA GLN A 37 90.941 2.292 0.787 1.00 1.00 C ATOM 565 C GLN A 37 89.832 1.631 1.609 1.00 1.00 C ATOM 566 O GLN A 37 88.974 2.293 2.158 1.00 1.00 O ATOM 567 CB GLN A 37 91.170 3.718 1.291 1.00 1.00 C ATOM 568 CG GLN A 37 92.447 4.283 0.665 1.00 1.00 C ATOM 569 CD GLN A 37 93.667 3.618 1.305 1.00 1.00 C ATOM 570 OE1 GLN A 37 93.800 3.600 2.512 1.00 1.00 O ATOM 571 NE2 GLN A 37 94.570 3.067 0.541 1.00 1.00 N ATOM 0 H GLN A 37 90.123 3.208 -0.958 1.00 1.00 H new ATOM 0 HA GLN A 37 91.860 1.716 0.893 1.00 1.00 H new ATOM 0 HB2 GLN A 37 90.318 4.347 1.034 1.00 1.00 H new ATOM 0 HB3 GLN A 37 91.253 3.722 2.378 1.00 1.00 H new ATOM 0 HG2 GLN A 37 92.446 4.107 -0.411 1.00 1.00 H new ATOM 0 HG3 GLN A 37 92.489 5.362 0.811 1.00 1.00 H new ATOM 0 HE21 GLN A 37 94.458 3.082 -0.473 1.00 1.00 H new ATOM 0 HE22 GLN A 37 95.387 2.621 0.958 1.00 1.00 H new ATOM 580 N CYS A 38 89.845 0.329 1.701 1.00 1.00 N ATOM 581 CA CYS A 38 88.797 -0.376 2.491 1.00 1.00 C ATOM 582 C CYS A 38 89.301 -1.771 2.868 1.00 1.00 C ATOM 583 O CYS A 38 89.908 -2.459 2.072 1.00 1.00 O ATOM 584 CB CYS A 38 87.521 -0.499 1.652 1.00 1.00 C ATOM 585 SG CYS A 38 86.488 -1.830 2.313 1.00 1.00 S ATOM 0 H CYS A 38 90.538 -0.278 1.262 1.00 1.00 H new ATOM 0 HA CYS A 38 88.579 0.189 3.397 1.00 1.00 H new ATOM 0 HB2 CYS A 38 86.972 0.443 1.666 1.00 1.00 H new ATOM 0 HB3 CYS A 38 87.775 -0.704 0.612 1.00 1.00 H new ATOM 590 N LYS A 39 89.057 -2.193 4.079 1.00 1.00 N ATOM 591 CA LYS A 39 89.524 -3.540 4.507 1.00 1.00 C ATOM 592 C LYS A 39 88.981 -4.598 3.544 1.00 1.00 C ATOM 593 O LYS A 39 88.452 -4.286 2.496 1.00 1.00 O ATOM 594 CB LYS A 39 89.018 -3.830 5.923 1.00 1.00 C ATOM 595 CG LYS A 39 89.822 -3.010 6.934 1.00 1.00 C ATOM 596 CD LYS A 39 91.072 -3.790 7.346 1.00 1.00 C ATOM 597 CE LYS A 39 91.855 -2.987 8.387 1.00 1.00 C ATOM 598 NZ LYS A 39 90.935 -2.558 9.478 1.00 1.00 N ATOM 0 H LYS A 39 88.554 -1.662 4.790 1.00 1.00 H new ATOM 0 HA LYS A 39 90.614 -3.566 4.499 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.959 -3.583 5.999 1.00 1.00 H new ATOM 0 HB3 LYS A 39 89.114 -4.893 6.144 1.00 1.00 H new ATOM 0 HG2 LYS A 39 90.106 -2.052 6.498 1.00 1.00 H new ATOM 0 HG3 LYS A 39 89.211 -2.793 7.810 1.00 1.00 H new ATOM 0 HD2 LYS A 39 90.790 -4.760 7.756 1.00 1.00 H new ATOM 0 HD3 LYS A 39 91.697 -3.983 6.474 1.00 1.00 H new ATOM 0 HE2 LYS A 39 92.664 -3.592 8.796 1.00 1.00 H new ATOM 0 HE3 LYS A 39 92.314 -2.116 7.920 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 91.471 -2.452 10.363 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 90.499 -1.648 9.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 90.192 -3.274 9.607 1.00 1.00 H new ATOM 612 N SER A 40 89.110 -5.849 3.892 1.00 1.00 N ATOM 613 CA SER A 40 88.604 -6.928 2.998 1.00 1.00 C ATOM 614 C SER A 40 87.102 -7.118 3.224 1.00 1.00 C ATOM 615 O SER A 40 86.514 -6.504 4.092 1.00 1.00 O ATOM 616 CB SER A 40 89.334 -8.234 3.313 1.00 1.00 C ATOM 617 OG SER A 40 90.735 -8.028 3.195 1.00 1.00 O ATOM 0 H SER A 40 89.544 -6.170 4.757 1.00 1.00 H new ATOM 0 HA SER A 40 88.783 -6.651 1.959 1.00 1.00 H new ATOM 0 HB2 SER A 40 89.087 -8.568 4.321 1.00 1.00 H new ATOM 0 HB3 SER A 40 89.011 -9.019 2.629 1.00 1.00 H new ATOM 0 HG SER A 40 91.207 -8.863 3.398 1.00 1.00 H new ATOM 623 N LYS A 41 86.481 -7.968 2.449 1.00 1.00 N ATOM 624 CA LYS A 41 85.016 -8.208 2.609 1.00 1.00 C ATOM 625 C LYS A 41 84.778 -9.691 2.914 1.00 1.00 C ATOM 626 O LYS A 41 84.481 -10.471 2.030 1.00 1.00 O ATOM 627 CB LYS A 41 84.295 -7.836 1.309 1.00 1.00 C ATOM 628 CG LYS A 41 84.471 -6.342 1.032 1.00 1.00 C ATOM 629 CD LYS A 41 85.694 -6.128 0.138 1.00 1.00 C ATOM 630 CE LYS A 41 85.288 -6.280 -1.329 1.00 1.00 C ATOM 631 NZ LYS A 41 84.602 -5.038 -1.785 1.00 1.00 N ATOM 0 H LYS A 41 86.928 -8.509 1.709 1.00 1.00 H new ATOM 0 HA LYS A 41 84.632 -7.598 3.427 1.00 1.00 H new ATOM 0 HB2 LYS A 41 84.696 -8.419 0.480 1.00 1.00 H new ATOM 0 HB3 LYS A 41 83.235 -8.079 1.387 1.00 1.00 H new ATOM 0 HG2 LYS A 41 83.579 -5.944 0.548 1.00 1.00 H new ATOM 0 HG3 LYS A 41 84.594 -5.800 1.970 1.00 1.00 H new ATOM 0 HD2 LYS A 41 86.114 -5.137 0.309 1.00 1.00 H new ATOM 0 HD3 LYS A 41 86.471 -6.850 0.388 1.00 1.00 H new ATOM 0 HE2 LYS A 41 86.168 -6.469 -1.944 1.00 1.00 H new ATOM 0 HE3 LYS A 41 84.627 -7.138 -1.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 83.875 -5.281 -2.487 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 84.155 -4.570 -0.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 85.297 -4.395 -2.215 1.00 1.00 H new ATOM 645 N PRO A 42 84.912 -10.078 4.157 1.00 1.00 N ATOM 646 CA PRO A 42 84.715 -11.489 4.588 1.00 1.00 C ATOM 647 C PRO A 42 83.236 -11.828 4.815 1.00 1.00 C ATOM 648 O PRO A 42 82.410 -10.953 4.982 1.00 1.00 O ATOM 649 CB PRO A 42 85.496 -11.562 5.901 1.00 1.00 C ATOM 650 CG PRO A 42 85.441 -10.180 6.468 1.00 1.00 C ATOM 651 CD PRO A 42 85.271 -9.212 5.291 1.00 1.00 C ATOM 0 HA PRO A 42 85.052 -12.202 3.836 1.00 1.00 H new ATOM 0 HB2 PRO A 42 85.051 -12.286 6.584 1.00 1.00 H new ATOM 0 HB3 PRO A 42 86.525 -11.877 5.730 1.00 1.00 H new ATOM 0 HG2 PRO A 42 84.611 -10.084 7.168 1.00 1.00 H new ATOM 0 HG3 PRO A 42 86.352 -9.955 7.022 1.00 1.00 H new ATOM 0 HD2 PRO A 42 84.493 -8.475 5.491 1.00 1.00 H new ATOM 0 HD3 PRO A 42 86.190 -8.660 5.094 1.00 1.00 H new ATOM 659 N PRO A 43 82.910 -13.095 4.825 1.00 1.00 N ATOM 660 CA PRO A 43 81.510 -13.569 5.038 1.00 1.00 C ATOM 661 C PRO A 43 80.944 -13.103 6.385 1.00 1.00 C ATOM 662 O PRO A 43 81.668 -12.653 7.250 1.00 1.00 O ATOM 663 CB PRO A 43 81.617 -15.103 4.994 1.00 1.00 C ATOM 664 CG PRO A 43 83.065 -15.415 5.181 1.00 1.00 C ATOM 665 CD PRO A 43 83.843 -14.216 4.640 1.00 1.00 C ATOM 0 HA PRO A 43 80.831 -13.169 4.285 1.00 1.00 H new ATOM 0 HB2 PRO A 43 81.014 -15.560 5.779 1.00 1.00 H new ATOM 0 HB3 PRO A 43 81.252 -15.493 4.044 1.00 1.00 H new ATOM 0 HG2 PRO A 43 83.293 -15.582 6.234 1.00 1.00 H new ATOM 0 HG3 PRO A 43 83.337 -16.326 4.648 1.00 1.00 H new ATOM 0 HD2 PRO A 43 84.773 -14.060 5.187 1.00 1.00 H new ATOM 0 HD3 PRO A 43 84.109 -14.349 3.591 1.00 1.00 H new ATOM 673 N LYS A 44 79.654 -13.203 6.561 1.00 1.00 N ATOM 674 CA LYS A 44 79.036 -12.763 7.845 1.00 1.00 C ATOM 675 C LYS A 44 79.819 -13.350 9.023 1.00 1.00 C ATOM 676 O LYS A 44 80.789 -14.059 8.847 1.00 1.00 O ATOM 677 CB LYS A 44 77.583 -13.249 7.902 1.00 1.00 C ATOM 678 CG LYS A 44 76.694 -12.306 7.090 1.00 1.00 C ATOM 679 CD LYS A 44 76.247 -11.138 7.972 1.00 1.00 C ATOM 680 CE LYS A 44 74.987 -11.533 8.743 1.00 1.00 C ATOM 681 NZ LYS A 44 74.862 -10.682 9.960 1.00 1.00 N ATOM 0 H LYS A 44 79.000 -13.571 5.870 1.00 1.00 H new ATOM 0 HA LYS A 44 79.060 -11.675 7.905 1.00 1.00 H new ATOM 0 HB2 LYS A 44 77.512 -14.262 7.507 1.00 1.00 H new ATOM 0 HB3 LYS A 44 77.242 -13.286 8.937 1.00 1.00 H new ATOM 0 HG2 LYS A 44 77.239 -11.933 6.223 1.00 1.00 H new ATOM 0 HG3 LYS A 44 75.824 -12.844 6.713 1.00 1.00 H new ATOM 0 HD2 LYS A 44 77.042 -10.869 8.667 1.00 1.00 H new ATOM 0 HD3 LYS A 44 76.050 -10.259 7.358 1.00 1.00 H new ATOM 0 HE2 LYS A 44 74.108 -11.413 8.110 1.00 1.00 H new ATOM 0 HE3 LYS A 44 75.035 -12.585 9.025 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 74.005 -10.950 10.485 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 75.696 -10.818 10.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 74.797 -9.683 9.680 1.00 1.00 H new ATOM 695 N LYS A 45 79.402 -13.056 10.225 1.00 1.00 N ATOM 696 CA LYS A 45 80.119 -13.591 11.418 1.00 1.00 C ATOM 697 C LYS A 45 81.604 -13.240 11.317 1.00 1.00 C ATOM 698 O LYS A 45 82.459 -14.104 11.324 1.00 1.00 O ATOM 699 CB LYS A 45 79.953 -15.111 11.480 1.00 1.00 C ATOM 700 CG LYS A 45 78.485 -15.455 11.738 1.00 1.00 C ATOM 701 CD LYS A 45 78.254 -16.944 11.474 1.00 1.00 C ATOM 702 CE LYS A 45 79.182 -17.770 12.367 1.00 1.00 C ATOM 703 NZ LYS A 45 79.227 -17.168 13.729 1.00 1.00 N ATOM 0 H LYS A 45 78.595 -12.468 10.432 1.00 1.00 H new ATOM 0 HA LYS A 45 79.701 -13.148 12.322 1.00 1.00 H new ATOM 0 HB2 LYS A 45 80.284 -15.562 10.544 1.00 1.00 H new ATOM 0 HB3 LYS A 45 80.579 -15.524 12.272 1.00 1.00 H new ATOM 0 HG2 LYS A 45 78.219 -15.212 12.767 1.00 1.00 H new ATOM 0 HG3 LYS A 45 77.842 -14.857 11.093 1.00 1.00 H new ATOM 0 HD2 LYS A 45 77.214 -17.203 11.674 1.00 1.00 H new ATOM 0 HD3 LYS A 45 78.443 -17.172 10.425 1.00 1.00 H new ATOM 0 HE2 LYS A 45 78.828 -18.799 12.424 1.00 1.00 H new ATOM 0 HE3 LYS A 45 80.184 -17.801 11.938 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 79.512 -17.892 14.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 79.915 -16.388 13.741 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 78.286 -16.803 13.979 1.00 1.00 H new ATOM 717 N GLY A 46 81.918 -11.976 11.224 1.00 1.00 N ATOM 718 CA GLY A 46 83.347 -11.565 11.124 1.00 1.00 C ATOM 719 C GLY A 46 83.506 -10.142 11.660 1.00 1.00 C ATOM 720 O GLY A 46 82.600 -9.337 11.584 1.00 1.00 O ATOM 0 H GLY A 46 81.245 -11.209 11.213 1.00 1.00 H new ATOM 0 HA2 GLY A 46 83.975 -12.251 11.692 1.00 1.00 H new ATOM 0 HA3 GLY A 46 83.679 -11.614 10.087 1.00 1.00 H new ATOM 724 N VAL A 47 84.652 -9.827 12.201 1.00 1.00 N ATOM 725 CA VAL A 47 84.873 -8.456 12.744 1.00 1.00 C ATOM 726 C VAL A 47 83.799 -8.136 13.787 1.00 1.00 C ATOM 727 O VAL A 47 82.772 -8.780 13.854 1.00 1.00 O ATOM 728 CB VAL A 47 84.801 -7.436 11.604 1.00 1.00 C ATOM 729 CG1 VAL A 47 85.129 -6.043 12.143 1.00 1.00 C ATOM 730 CG2 VAL A 47 85.813 -7.813 10.520 1.00 1.00 C ATOM 0 H VAL A 47 85.446 -10.461 12.290 1.00 1.00 H new ATOM 0 HA VAL A 47 85.856 -8.407 13.212 1.00 1.00 H new ATOM 0 HB VAL A 47 83.796 -7.434 11.181 1.00 1.00 H new ATOM 0 HG11 VAL A 47 85.078 -5.317 11.331 1.00 1.00 H new ATOM 0 HG12 VAL A 47 84.410 -5.774 12.917 1.00 1.00 H new ATOM 0 HG13 VAL A 47 86.134 -6.044 12.566 1.00 1.00 H new ATOM 0 HG21 VAL A 47 85.763 -7.088 9.708 1.00 1.00 H new ATOM 0 HG22 VAL A 47 86.817 -7.814 10.944 1.00 1.00 H new ATOM 0 HG23 VAL A 47 85.581 -8.806 10.135 1.00 1.00 H new ATOM 740 N GLN A 48 84.032 -7.145 14.604 1.00 1.00 N ATOM 741 CA GLN A 48 83.028 -6.782 15.644 1.00 1.00 C ATOM 742 C GLN A 48 81.936 -5.911 15.018 1.00 1.00 C ATOM 743 O GLN A 48 81.611 -4.852 15.515 1.00 1.00 O ATOM 744 CB GLN A 48 83.718 -6.006 16.771 1.00 1.00 C ATOM 745 CG GLN A 48 84.495 -4.828 16.181 1.00 1.00 C ATOM 746 CD GLN A 48 85.291 -4.135 17.288 1.00 1.00 C ATOM 747 OE1 GLN A 48 84.861 -4.193 18.519 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 86.316 -3.534 17.031 1.00 1.00 N flip ATOM 0 H GLN A 48 84.875 -6.571 14.596 1.00 1.00 H new ATOM 0 HA GLN A 48 82.580 -7.689 16.049 1.00 1.00 H new ATOM 0 HB2 GLN A 48 82.977 -5.645 17.485 1.00 1.00 H new ATOM 0 HB3 GLN A 48 84.394 -6.663 17.318 1.00 1.00 H new ATOM 0 HG2 GLN A 48 85.169 -5.178 15.399 1.00 1.00 H new ATOM 0 HG3 GLN A 48 83.807 -4.121 15.716 1.00 1.00 H new ATOM 0 HE21 GLN A 48 86.653 -3.488 16.069 1.00 1.00 H new ATOM 0 HE22 GLN A 48 86.839 -3.076 17.777 1.00 1.00 H new ATOM 757 N GLY A 49 81.366 -6.350 13.928 1.00 1.00 N ATOM 758 CA GLY A 49 80.295 -5.548 13.267 1.00 1.00 C ATOM 759 C GLY A 49 80.910 -4.696 12.156 1.00 1.00 C ATOM 760 O GLY A 49 81.293 -5.197 11.117 1.00 1.00 O ATOM 0 H GLY A 49 81.596 -7.230 13.466 1.00 1.00 H new ATOM 0 HA2 GLY A 49 79.533 -6.209 12.854 1.00 1.00 H new ATOM 0 HA3 GLY A 49 79.800 -4.909 13.998 1.00 1.00 H new ATOM 764 N CYS A 50 81.011 -3.412 12.365 1.00 1.00 N ATOM 765 CA CYS A 50 81.604 -2.534 11.317 1.00 1.00 C ATOM 766 C CYS A 50 81.878 -1.147 11.906 1.00 1.00 C ATOM 767 O CYS A 50 80.973 -0.380 12.166 1.00 1.00 O ATOM 768 CB CYS A 50 80.631 -2.415 10.142 1.00 1.00 C ATOM 769 SG CYS A 50 79.175 -1.471 10.655 1.00 1.00 S ATOM 0 H CYS A 50 80.709 -2.934 13.214 1.00 1.00 H new ATOM 0 HA CYS A 50 82.541 -2.966 10.966 1.00 1.00 H new ATOM 0 HB2 CYS A 50 81.119 -1.922 9.301 1.00 1.00 H new ATOM 0 HB3 CYS A 50 80.333 -3.407 9.801 1.00 1.00 H new ATOM 774 N GLY A 51 83.124 -0.820 12.120 1.00 1.00 N ATOM 775 CA GLY A 51 83.460 0.516 12.693 1.00 1.00 C ATOM 776 C GLY A 51 82.536 0.820 13.875 1.00 1.00 C ATOM 777 O GLY A 51 81.690 1.689 13.806 1.00 1.00 O ATOM 0 H GLY A 51 83.925 -1.421 11.923 1.00 1.00 H new ATOM 0 HA2 GLY A 51 84.500 0.531 13.019 1.00 1.00 H new ATOM 0 HA3 GLY A 51 83.354 1.287 11.929 1.00 1.00 H new ATOM 781 N ASP A 52 82.691 0.111 14.960 1.00 1.00 N ATOM 782 CA ASP A 52 81.822 0.360 16.146 1.00 1.00 C ATOM 783 C ASP A 52 82.381 1.539 16.946 1.00 1.00 C ATOM 784 O ASP A 52 82.038 1.741 18.094 1.00 1.00 O ATOM 785 CB ASP A 52 81.796 -0.888 17.031 1.00 1.00 C ATOM 786 CG ASP A 52 83.220 -1.233 17.470 1.00 1.00 C ATOM 787 OD1 ASP A 52 83.635 -0.741 18.507 1.00 1.00 O ATOM 788 OD2 ASP A 52 83.872 -1.984 16.763 1.00 1.00 O ATOM 0 H ASP A 52 83.382 -0.630 15.077 1.00 1.00 H new ATOM 0 HA ASP A 52 80.810 0.591 15.814 1.00 1.00 H new ATOM 0 HB2 ASP A 52 81.167 -0.714 17.904 1.00 1.00 H new ATOM 0 HB3 ASP A 52 81.360 -1.725 16.485 1.00 1.00 H new ATOM 793 N ASP A 53 83.240 2.318 16.348 1.00 1.00 N ATOM 794 CA ASP A 53 83.821 3.482 17.074 1.00 1.00 C ATOM 795 C ASP A 53 82.743 4.548 17.274 1.00 1.00 C ATOM 796 O ASP A 53 82.149 4.652 18.328 1.00 1.00 O ATOM 797 CB ASP A 53 84.975 4.068 16.256 1.00 1.00 C ATOM 798 CG ASP A 53 85.661 5.175 17.059 1.00 1.00 C ATOM 799 OD1 ASP A 53 85.321 5.335 18.220 1.00 1.00 O ATOM 800 OD2 ASP A 53 86.514 5.844 16.500 1.00 1.00 O ATOM 0 H ASP A 53 83.564 2.199 15.388 1.00 1.00 H new ATOM 0 HA ASP A 53 84.193 3.156 18.045 1.00 1.00 H new ATOM 0 HB2 ASP A 53 85.693 3.286 16.008 1.00 1.00 H new ATOM 0 HB3 ASP A 53 84.600 4.467 15.313 1.00 1.00 H new ATOM 805 N ILE A 54 82.487 5.341 16.267 1.00 1.00 N ATOM 806 CA ILE A 54 81.448 6.405 16.390 1.00 1.00 C ATOM 807 C ILE A 54 80.244 6.039 15.509 1.00 1.00 C ATOM 808 O ILE A 54 80.381 5.885 14.311 1.00 1.00 O ATOM 809 CB ILE A 54 82.035 7.734 15.912 1.00 1.00 C ATOM 810 CG1 ILE A 54 83.167 8.157 16.851 1.00 1.00 C ATOM 811 CG2 ILE A 54 80.944 8.806 15.916 1.00 1.00 C ATOM 812 CD1 ILE A 54 83.884 9.377 16.269 1.00 1.00 C ATOM 0 H ILE A 54 82.955 5.297 15.362 1.00 1.00 H new ATOM 0 HA ILE A 54 81.130 6.493 17.429 1.00 1.00 H new ATOM 0 HB ILE A 54 82.424 7.616 14.901 1.00 1.00 H new ATOM 0 HG12 ILE A 54 82.767 8.393 17.837 1.00 1.00 H new ATOM 0 HG13 ILE A 54 83.872 7.336 16.981 1.00 1.00 H new ATOM 0 HG21 ILE A 54 81.363 9.753 15.575 1.00 1.00 H new ATOM 0 HG22 ILE A 54 80.136 8.506 15.249 1.00 1.00 H new ATOM 0 HG23 ILE A 54 80.554 8.925 16.927 1.00 1.00 H new ATOM 0 HD11 ILE A 54 84.690 9.678 16.938 1.00 1.00 H new ATOM 0 HD12 ILE A 54 84.298 9.124 15.293 1.00 1.00 H new ATOM 0 HD13 ILE A 54 83.176 10.198 16.162 1.00 1.00 H new ATOM 824 N PRO A 55 79.071 5.899 16.083 1.00 1.00 N ATOM 825 CA PRO A 55 77.846 5.545 15.310 1.00 1.00 C ATOM 826 C PRO A 55 77.279 6.747 14.547 1.00 1.00 C ATOM 827 O PRO A 55 76.370 7.412 15.003 1.00 1.00 O ATOM 828 CB PRO A 55 76.866 5.077 16.387 1.00 1.00 C ATOM 829 CG PRO A 55 77.272 5.815 17.621 1.00 1.00 C ATOM 830 CD PRO A 55 78.782 6.060 17.517 1.00 1.00 C ATOM 0 HA PRO A 55 78.045 4.792 14.548 1.00 1.00 H new ATOM 0 HB2 PRO A 55 75.837 5.305 16.111 1.00 1.00 H new ATOM 0 HB3 PRO A 55 76.925 3.999 16.534 1.00 1.00 H new ATOM 0 HG2 PRO A 55 76.732 6.759 17.702 1.00 1.00 H new ATOM 0 HG3 PRO A 55 77.035 5.235 18.513 1.00 1.00 H new ATOM 0 HD2 PRO A 55 79.050 7.056 17.869 1.00 1.00 H new ATOM 0 HD3 PRO A 55 79.344 5.347 18.120 1.00 1.00 H new ATOM 838 N GLY A 56 77.810 7.029 13.388 1.00 1.00 N ATOM 839 CA GLY A 56 77.303 8.187 12.595 1.00 1.00 C ATOM 840 C GLY A 56 78.105 9.440 12.950 1.00 1.00 C ATOM 841 O GLY A 56 77.896 10.052 13.979 1.00 1.00 O ATOM 0 H GLY A 56 78.573 6.508 12.956 1.00 1.00 H new ATOM 0 HA2 GLY A 56 77.390 7.977 11.529 1.00 1.00 H new ATOM 0 HA3 GLY A 56 76.245 8.348 12.803 1.00 1.00 H new ATOM 845 N MET A 57 79.023 9.828 12.106 1.00 1.00 N ATOM 846 CA MET A 57 79.837 11.041 12.398 1.00 1.00 C ATOM 847 C MET A 57 78.907 12.220 12.697 1.00 1.00 C ATOM 848 O MET A 57 78.722 12.603 13.835 1.00 1.00 O ATOM 849 CB MET A 57 80.715 11.372 11.187 1.00 1.00 C ATOM 850 CG MET A 57 81.328 10.084 10.634 1.00 1.00 C ATOM 851 SD MET A 57 82.064 9.136 11.988 1.00 1.00 S ATOM 852 CE MET A 57 81.727 7.488 11.320 1.00 1.00 C ATOM 0 H MET A 57 79.244 9.358 11.228 1.00 1.00 H new ATOM 0 HA MET A 57 80.472 10.853 13.264 1.00 1.00 H new ATOM 0 HB2 MET A 57 80.121 11.864 10.417 1.00 1.00 H new ATOM 0 HB3 MET A 57 81.503 12.068 11.475 1.00 1.00 H new ATOM 0 HG2 MET A 57 80.563 9.490 10.134 1.00 1.00 H new ATOM 0 HG3 MET A 57 82.086 10.321 9.888 1.00 1.00 H new ATOM 0 HE1 MET A 57 82.105 6.732 12.009 1.00 1.00 H new ATOM 0 HE2 MET A 57 80.652 7.359 11.194 1.00 1.00 H new ATOM 0 HE3 MET A 57 82.221 7.379 10.355 1.00 1.00 H new ATOM 862 N GLU A 58 78.319 12.799 11.685 1.00 1.00 N ATOM 863 CA GLU A 58 77.403 13.951 11.917 1.00 1.00 C ATOM 864 C GLU A 58 76.074 13.437 12.472 1.00 1.00 C ATOM 865 O GLU A 58 75.493 14.024 13.363 1.00 1.00 O ATOM 866 CB GLU A 58 77.155 14.681 10.596 1.00 1.00 C ATOM 867 CG GLU A 58 78.485 14.882 9.866 1.00 1.00 C ATOM 868 CD GLU A 58 79.465 15.615 10.784 1.00 1.00 C ATOM 869 OE1 GLU A 58 79.072 16.615 11.360 1.00 1.00 O ATOM 870 OE2 GLU A 58 80.593 15.163 10.894 1.00 1.00 O ATOM 0 H GLU A 58 78.433 12.524 10.709 1.00 1.00 H new ATOM 0 HA GLU A 58 77.856 14.639 12.631 1.00 1.00 H new ATOM 0 HB2 GLU A 58 76.470 14.106 9.973 1.00 1.00 H new ATOM 0 HB3 GLU A 58 76.682 15.645 10.784 1.00 1.00 H new ATOM 0 HG2 GLU A 58 78.899 13.918 9.570 1.00 1.00 H new ATOM 0 HG3 GLU A 58 78.328 15.455 8.952 1.00 1.00 H new ATOM 877 N GLY A 59 75.589 12.342 11.950 1.00 1.00 N ATOM 878 CA GLY A 59 74.296 11.784 12.443 1.00 1.00 C ATOM 879 C GLY A 59 73.512 11.204 11.265 1.00 1.00 C ATOM 880 O GLY A 59 72.393 10.754 11.414 1.00 1.00 O ATOM 0 H GLY A 59 76.033 11.809 11.202 1.00 1.00 H new ATOM 0 HA2 GLY A 59 74.481 11.010 13.187 1.00 1.00 H new ATOM 0 HA3 GLY A 59 73.714 12.564 12.933 1.00 1.00 H new ATOM 884 N CYS A 60 74.089 11.211 10.095 1.00 1.00 N ATOM 885 CA CYS A 60 73.374 10.660 8.909 1.00 1.00 C ATOM 886 C CYS A 60 73.477 9.134 8.914 1.00 1.00 C ATOM 887 O CYS A 60 72.608 8.443 8.419 1.00 1.00 O ATOM 888 CB CYS A 60 74.008 11.208 7.630 1.00 1.00 C ATOM 889 SG CYS A 60 75.639 10.459 7.396 1.00 1.00 S ATOM 0 H CYS A 60 75.024 11.574 9.909 1.00 1.00 H new ATOM 0 HA CYS A 60 72.325 10.954 8.950 1.00 1.00 H new ATOM 0 HB2 CYS A 60 73.370 10.991 6.773 1.00 1.00 H new ATOM 0 HB3 CYS A 60 74.100 12.292 7.693 1.00 1.00 H new ATOM 894 N GLY A 61 74.533 8.601 9.467 1.00 1.00 N ATOM 895 CA GLY A 61 74.690 7.119 9.501 1.00 1.00 C ATOM 896 C GLY A 61 73.368 6.476 9.921 1.00 1.00 C ATOM 897 O GLY A 61 72.843 5.618 9.242 1.00 1.00 O ATOM 0 H GLY A 61 75.293 9.128 9.897 1.00 1.00 H new ATOM 0 HA2 GLY A 61 74.990 6.752 8.519 1.00 1.00 H new ATOM 0 HA3 GLY A 61 75.480 6.842 10.200 1.00 1.00 H new ATOM 901 N THR A 62 72.824 6.895 11.031 1.00 1.00 N ATOM 902 CA THR A 62 71.530 6.321 11.503 1.00 1.00 C ATOM 903 C THR A 62 71.559 4.793 11.393 1.00 1.00 C ATOM 904 O THR A 62 71.470 4.236 10.318 1.00 1.00 O ATOM 905 CB THR A 62 70.388 6.871 10.643 1.00 1.00 C ATOM 906 OG1 THR A 62 70.777 6.855 9.277 1.00 1.00 O ATOM 907 CG2 THR A 62 70.071 8.306 11.069 1.00 1.00 C ATOM 0 H THR A 62 73.222 7.614 11.635 1.00 1.00 H new ATOM 0 HA THR A 62 71.376 6.599 12.546 1.00 1.00 H new ATOM 0 HB THR A 62 69.501 6.251 10.776 1.00 1.00 H new ATOM 0 HG1 THR A 62 71.211 6.001 9.070 1.00 1.00 H new ATOM 0 HG21 THR A 62 69.258 8.696 10.456 1.00 1.00 H new ATOM 0 HG22 THR A 62 69.773 8.317 12.117 1.00 1.00 H new ATOM 0 HG23 THR A 62 70.956 8.929 10.937 1.00 1.00 H new ATOM 915 N ASP A 63 71.670 4.108 12.500 1.00 1.00 N ATOM 916 CA ASP A 63 71.693 2.618 12.447 1.00 1.00 C ATOM 917 C ASP A 63 70.524 2.133 11.587 1.00 1.00 C ATOM 918 O ASP A 63 70.656 1.220 10.797 1.00 1.00 O ATOM 919 CB ASP A 63 71.556 2.052 13.863 1.00 1.00 C ATOM 920 CG ASP A 63 70.417 2.768 14.592 1.00 1.00 C ATOM 921 OD1 ASP A 63 70.470 3.984 14.682 1.00 1.00 O ATOM 922 OD2 ASP A 63 69.512 2.089 15.047 1.00 1.00 O ATOM 0 H ASP A 63 71.745 4.513 13.433 1.00 1.00 H new ATOM 0 HA ASP A 63 72.635 2.279 12.015 1.00 1.00 H new ATOM 0 HB2 ASP A 63 71.358 0.981 13.820 1.00 1.00 H new ATOM 0 HB3 ASP A 63 72.490 2.182 14.410 1.00 1.00 H new ATOM 927 N ILE A 64 69.383 2.750 11.725 1.00 1.00 N ATOM 928 CA ILE A 64 68.209 2.339 10.907 1.00 1.00 C ATOM 929 C ILE A 64 67.047 3.287 11.174 1.00 1.00 C ATOM 930 O ILE A 64 66.103 2.958 11.862 1.00 1.00 O ATOM 931 CB ILE A 64 67.807 0.901 11.249 1.00 1.00 C ATOM 932 CG1 ILE A 64 66.396 0.629 10.723 1.00 1.00 C ATOM 933 CG2 ILE A 64 67.829 0.711 12.767 1.00 1.00 C ATOM 934 CD1 ILE A 64 66.276 -0.843 10.321 1.00 1.00 C ATOM 0 H ILE A 64 69.213 3.522 12.370 1.00 1.00 H new ATOM 0 HA ILE A 64 68.473 2.384 9.850 1.00 1.00 H new ATOM 0 HB ILE A 64 68.509 0.208 10.786 1.00 1.00 H new ATOM 0 HG12 ILE A 64 65.658 0.869 11.489 1.00 1.00 H new ATOM 0 HG13 ILE A 64 66.186 1.269 9.866 1.00 1.00 H new ATOM 0 HG21 ILE A 64 67.543 -0.312 13.010 1.00 1.00 H new ATOM 0 HG22 ILE A 64 68.833 0.906 13.144 1.00 1.00 H new ATOM 0 HG23 ILE A 64 67.127 1.404 13.231 1.00 1.00 H new ATOM 0 HD11 ILE A 64 65.271 -1.037 9.946 1.00 1.00 H new ATOM 0 HD12 ILE A 64 67.004 -1.068 9.541 1.00 1.00 H new ATOM 0 HD13 ILE A 64 66.468 -1.474 11.189 1.00 1.00 H new ATOM 946 N THR A 65 67.099 4.461 10.618 1.00 1.00 N ATOM 947 CA THR A 65 65.983 5.414 10.827 1.00 1.00 C ATOM 948 C THR A 65 64.725 4.804 10.213 1.00 1.00 C ATOM 949 O THR A 65 63.616 5.116 10.598 1.00 1.00 O ATOM 950 CB THR A 65 66.304 6.747 10.145 1.00 1.00 C ATOM 951 OG1 THR A 65 67.426 7.343 10.780 1.00 1.00 O ATOM 952 CG2 THR A 65 65.098 7.681 10.253 1.00 1.00 C ATOM 0 H THR A 65 67.862 4.800 10.031 1.00 1.00 H new ATOM 0 HA THR A 65 65.834 5.599 11.891 1.00 1.00 H new ATOM 0 HB THR A 65 66.531 6.572 9.093 1.00 1.00 H new ATOM 0 HG1 THR A 65 67.220 8.275 11.001 1.00 1.00 H new ATOM 0 HG21 THR A 65 65.328 8.629 9.767 1.00 1.00 H new ATOM 0 HG22 THR A 65 64.238 7.222 9.765 1.00 1.00 H new ATOM 0 HG23 THR A 65 64.868 7.858 11.304 1.00 1.00 H new ATOM 960 N VAL A 66 64.899 3.919 9.263 1.00 1.00 N ATOM 961 CA VAL A 66 63.724 3.267 8.620 1.00 1.00 C ATOM 962 C VAL A 66 64.096 1.844 8.180 1.00 1.00 C ATOM 963 O VAL A 66 63.760 0.879 8.836 1.00 1.00 O ATOM 964 CB VAL A 66 63.272 4.085 7.400 1.00 1.00 C ATOM 965 CG1 VAL A 66 61.786 3.832 7.137 1.00 1.00 C ATOM 966 CG2 VAL A 66 63.493 5.574 7.676 1.00 1.00 C ATOM 0 H VAL A 66 65.807 3.621 8.907 1.00 1.00 H new ATOM 0 HA VAL A 66 62.907 3.219 9.340 1.00 1.00 H new ATOM 0 HB VAL A 66 63.852 3.785 6.527 1.00 1.00 H new ATOM 0 HG11 VAL A 66 61.466 4.412 6.272 1.00 1.00 H new ATOM 0 HG12 VAL A 66 61.626 2.772 6.942 1.00 1.00 H new ATOM 0 HG13 VAL A 66 61.206 4.132 8.010 1.00 1.00 H new ATOM 0 HG21 VAL A 66 63.173 6.156 6.812 1.00 1.00 H new ATOM 0 HG22 VAL A 66 62.913 5.872 8.549 1.00 1.00 H new ATOM 0 HG23 VAL A 66 64.551 5.756 7.864 1.00 1.00 H new ATOM 976 N ILE A 67 64.779 1.705 7.071 1.00 1.00 N ATOM 977 CA ILE A 67 65.161 0.344 6.588 1.00 1.00 C ATOM 978 C ILE A 67 66.607 0.344 6.090 1.00 1.00 C ATOM 979 O ILE A 67 66.881 0.704 4.962 1.00 1.00 O ATOM 980 CB ILE A 67 64.240 -0.070 5.440 1.00 1.00 C ATOM 981 CG1 ILE A 67 62.784 0.170 5.844 1.00 1.00 C ATOM 982 CG2 ILE A 67 64.444 -1.554 5.131 1.00 1.00 C ATOM 983 CD1 ILE A 67 61.859 -0.276 4.710 1.00 1.00 C ATOM 0 H ILE A 67 65.088 2.476 6.480 1.00 1.00 H new ATOM 0 HA ILE A 67 65.065 -0.359 7.415 1.00 1.00 H new ATOM 0 HB ILE A 67 64.475 0.521 4.555 1.00 1.00 H new ATOM 0 HG12 ILE A 67 62.553 -0.382 6.755 1.00 1.00 H new ATOM 0 HG13 ILE A 67 62.626 1.226 6.063 1.00 1.00 H new ATOM 0 HG21 ILE A 67 63.787 -1.849 4.313 1.00 1.00 H new ATOM 0 HG22 ILE A 67 65.481 -1.727 4.844 1.00 1.00 H new ATOM 0 HG23 ILE A 67 64.209 -2.146 6.016 1.00 1.00 H new ATOM 0 HD11 ILE A 67 60.822 -0.105 4.998 1.00 1.00 H new ATOM 0 HD12 ILE A 67 62.085 0.296 3.810 1.00 1.00 H new ATOM 0 HD13 ILE A 67 62.011 -1.337 4.513 1.00 1.00 H new ATOM 995 N CYS A 68 67.531 -0.074 6.905 1.00 1.00 N ATOM 996 CA CYS A 68 68.953 -0.116 6.459 1.00 1.00 C ATOM 997 C CYS A 68 69.259 -1.511 5.900 1.00 1.00 C ATOM 998 O CYS A 68 68.579 -2.470 6.207 1.00 1.00 O ATOM 999 CB CYS A 68 69.866 0.184 7.651 1.00 1.00 C ATOM 1000 SG CYS A 68 69.916 1.970 7.938 1.00 1.00 S ATOM 0 H CYS A 68 67.366 -0.389 7.861 1.00 1.00 H new ATOM 0 HA CYS A 68 69.125 0.630 5.683 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.500 -0.328 8.541 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.870 -0.192 7.457 1.00 1.00 H new ATOM 1005 N PRO A 69 70.263 -1.628 5.064 1.00 1.00 N ATOM 1006 CA PRO A 69 70.652 -2.917 4.431 1.00 1.00 C ATOM 1007 C PRO A 69 70.366 -4.138 5.312 1.00 1.00 C ATOM 1008 O PRO A 69 69.741 -5.086 4.879 1.00 1.00 O ATOM 1009 CB PRO A 69 72.148 -2.736 4.206 1.00 1.00 C ATOM 1010 CG PRO A 69 72.310 -1.277 3.921 1.00 1.00 C ATOM 1011 CD PRO A 69 71.159 -0.545 4.627 1.00 1.00 C ATOM 0 HA PRO A 69 70.083 -3.118 3.523 1.00 1.00 H new ATOM 0 HB2 PRO A 69 72.720 -3.035 5.084 1.00 1.00 H new ATOM 0 HB3 PRO A 69 72.501 -3.345 3.373 1.00 1.00 H new ATOM 0 HG2 PRO A 69 73.273 -0.919 4.284 1.00 1.00 H new ATOM 0 HG3 PRO A 69 72.284 -1.090 2.848 1.00 1.00 H new ATOM 0 HD2 PRO A 69 71.518 0.042 5.473 1.00 1.00 H new ATOM 0 HD3 PRO A 69 70.652 0.145 3.953 1.00 1.00 H new ATOM 1019 N TRP A 70 70.811 -4.134 6.537 1.00 1.00 N ATOM 1020 CA TRP A 70 70.547 -5.309 7.416 1.00 1.00 C ATOM 1021 C TRP A 70 69.058 -5.351 7.772 1.00 1.00 C ATOM 1022 O TRP A 70 68.682 -5.697 8.874 1.00 1.00 O ATOM 1023 CB TRP A 70 71.387 -5.203 8.693 1.00 1.00 C ATOM 1024 CG TRP A 70 71.447 -3.776 9.135 1.00 1.00 C ATOM 1025 CD1 TRP A 70 70.373 -3.011 9.437 1.00 1.00 C ATOM 1026 CD2 TRP A 70 72.619 -2.931 9.328 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.809 -1.752 9.804 1.00 1.00 N ATOM 1028 CE2 TRP A 70 72.185 -1.651 9.753 1.00 1.00 C ATOM 1029 CE3 TRP A 70 73.999 -3.147 9.178 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 73.093 -0.623 10.019 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 74.913 -2.117 9.445 1.00 1.00 C ATOM 1032 CH2 TRP A 70 74.463 -0.858 9.864 1.00 1.00 C ATOM 0 H TRP A 70 71.342 -3.376 6.966 1.00 1.00 H new ATOM 0 HA TRP A 70 70.819 -6.224 6.891 1.00 1.00 H new ATOM 0 HB2 TRP A 70 70.952 -5.820 9.479 1.00 1.00 H new ATOM 0 HB3 TRP A 70 72.393 -5.581 8.511 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.343 -3.332 9.398 1.00 1.00 H new ATOM 0 HE1 TRP A 70 70.189 -0.990 10.079 1.00 1.00 H new ATOM 0 HE3 TRP A 70 74.359 -4.113 8.855 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 72.740 0.345 10.342 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 75.972 -2.296 9.327 1.00 1.00 H new ATOM 0 HH2 TRP A 70 75.173 -0.070 10.067 1.00 1.00 H new ATOM 1043 N GLU A 71 68.208 -5.001 6.843 1.00 1.00 N ATOM 1044 CA GLU A 71 66.744 -5.021 7.120 1.00 1.00 C ATOM 1045 C GLU A 71 65.979 -4.974 5.794 1.00 1.00 C ATOM 1046 O GLU A 71 64.884 -5.488 5.679 1.00 1.00 O ATOM 1047 CB GLU A 71 66.372 -3.802 7.979 1.00 1.00 C ATOM 1048 CG GLU A 71 65.949 -4.269 9.373 1.00 1.00 C ATOM 1049 CD GLU A 71 64.566 -4.918 9.297 1.00 1.00 C ATOM 1050 OE1 GLU A 71 63.589 -4.188 9.332 1.00 1.00 O ATOM 1051 OE2 GLU A 71 64.508 -6.133 9.206 1.00 1.00 O ATOM 0 H GLU A 71 68.466 -4.702 5.903 1.00 1.00 H new ATOM 0 HA GLU A 71 66.482 -5.933 7.657 1.00 1.00 H new ATOM 0 HB2 GLU A 71 67.222 -3.124 8.054 1.00 1.00 H new ATOM 0 HB3 GLU A 71 65.561 -3.246 7.508 1.00 1.00 H new ATOM 0 HG2 GLU A 71 66.675 -4.981 9.765 1.00 1.00 H new ATOM 0 HG3 GLU A 71 65.928 -3.423 10.060 1.00 1.00 H new ATOM 1058 N ALA A 72 66.546 -4.360 4.791 1.00 1.00 N ATOM 1059 CA ALA A 72 65.850 -4.280 3.476 1.00 1.00 C ATOM 1060 C ALA A 72 65.947 -5.631 2.766 1.00 1.00 C ATOM 1061 O ALA A 72 65.261 -6.574 3.108 1.00 1.00 O ATOM 1062 CB ALA A 72 66.512 -3.202 2.613 1.00 1.00 C ATOM 0 H ALA A 72 67.461 -3.911 4.826 1.00 1.00 H new ATOM 0 HA ALA A 72 64.802 -4.026 3.634 1.00 1.00 H new ATOM 0 HB1 ALA A 72 66.003 -3.143 1.651 1.00 1.00 H new ATOM 0 HB2 ALA A 72 66.445 -2.239 3.119 1.00 1.00 H new ATOM 0 HB3 ALA A 72 67.560 -3.456 2.454 1.00 1.00 H new ATOM 1068 N CYS A 73 66.792 -5.731 1.778 1.00 1.00 N ATOM 1069 CA CYS A 73 66.934 -7.020 1.044 1.00 1.00 C ATOM 1070 C CYS A 73 67.617 -8.049 1.948 1.00 1.00 C ATOM 1071 O CYS A 73 67.013 -9.011 2.378 1.00 1.00 O ATOM 1072 CB CYS A 73 67.780 -6.797 -0.214 1.00 1.00 C ATOM 1073 SG CYS A 73 67.608 -5.079 -0.758 1.00 1.00 S ATOM 0 H CYS A 73 67.391 -4.975 1.447 1.00 1.00 H new ATOM 0 HA CYS A 73 65.949 -7.389 0.758 1.00 1.00 H new ATOM 0 HB2 CYS A 73 68.826 -7.021 -0.006 1.00 1.00 H new ATOM 0 HB3 CYS A 73 67.460 -7.474 -1.006 1.00 1.00 H new ATOM 1078 N ASN A 74 68.873 -7.851 2.240 1.00 1.00 N ATOM 1079 CA ASN A 74 69.597 -8.814 3.116 1.00 1.00 C ATOM 1080 C ASN A 74 71.056 -8.368 3.255 1.00 1.00 C ATOM 1081 O ASN A 74 71.450 -7.335 2.751 1.00 1.00 O ATOM 1082 CB ASN A 74 69.535 -10.217 2.494 1.00 1.00 C ATOM 1083 CG ASN A 74 68.453 -11.040 3.196 1.00 1.00 C ATOM 1084 OD1 ASN A 74 67.605 -11.625 2.552 1.00 1.00 O ATOM 1085 ND2 ASN A 74 68.445 -11.109 4.499 1.00 1.00 N ATOM 0 H ASN A 74 69.430 -7.063 1.909 1.00 1.00 H new ATOM 0 HA ASN A 74 69.132 -8.840 4.101 1.00 1.00 H new ATOM 0 HB2 ASN A 74 69.317 -10.144 1.428 1.00 1.00 H new ATOM 0 HB3 ASN A 74 70.502 -10.711 2.589 1.00 1.00 H new ATOM 0 HD21 ASN A 74 67.727 -11.654 4.976 1.00 1.00 H new ATOM 0 HD22 ASN A 74 69.157 -10.618 5.040 1.00 1.00 H new ATOM 1092 N HIS A 75 71.858 -9.138 3.938 1.00 1.00 N ATOM 1093 CA HIS A 75 73.288 -8.758 4.112 1.00 1.00 C ATOM 1094 C HIS A 75 74.085 -9.174 2.874 1.00 1.00 C ATOM 1095 O HIS A 75 75.082 -9.860 2.971 1.00 1.00 O ATOM 1096 CB HIS A 75 73.856 -9.464 5.345 1.00 1.00 C ATOM 1097 CG HIS A 75 73.543 -10.933 5.270 1.00 1.00 C ATOM 1098 ND1 HIS A 75 74.395 -11.840 4.657 1.00 1.00 N ATOM 1099 CD2 HIS A 75 72.476 -11.669 5.726 1.00 1.00 C ATOM 1100 CE1 HIS A 75 73.834 -13.058 4.759 1.00 1.00 C ATOM 1101 NE2 HIS A 75 72.665 -13.009 5.401 1.00 1.00 N ATOM 0 H HIS A 75 71.585 -10.014 4.383 1.00 1.00 H new ATOM 0 HA HIS A 75 73.362 -7.678 4.243 1.00 1.00 H new ATOM 0 HB2 HIS A 75 74.934 -9.313 5.399 1.00 1.00 H new ATOM 0 HB3 HIS A 75 73.428 -9.036 6.252 1.00 1.00 H new ATOM 0 HD1 HIS A 75 75.286 -11.623 4.210 1.00 1.00 H new ATOM 0 HD2 HIS A 75 71.623 -11.270 6.255 1.00 1.00 H new ATOM 0 HE1 HIS A 75 74.275 -13.964 4.370 1.00 1.00 H new ATOM 1110 N CYS A 76 73.650 -8.759 1.710 1.00 1.00 N ATOM 1111 CA CYS A 76 74.372 -9.121 0.454 1.00 1.00 C ATOM 1112 C CYS A 76 74.937 -10.538 0.571 1.00 1.00 C ATOM 1113 O CYS A 76 76.056 -10.736 1.002 1.00 1.00 O ATOM 1114 CB CYS A 76 75.517 -8.133 0.217 1.00 1.00 C ATOM 1115 SG CYS A 76 76.412 -7.860 1.766 1.00 1.00 S ATOM 0 H CYS A 76 72.820 -8.181 1.577 1.00 1.00 H new ATOM 0 HA CYS A 76 73.676 -9.079 -0.384 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.195 -8.522 -0.543 1.00 1.00 H new ATOM 0 HB3 CYS A 76 75.124 -7.188 -0.159 1.00 1.00 H new ATOM 1120 N GLU A 77 74.177 -11.527 0.190 1.00 1.00 N ATOM 1121 CA GLU A 77 74.679 -12.926 0.281 1.00 1.00 C ATOM 1122 C GLU A 77 75.902 -13.080 -0.627 1.00 1.00 C ATOM 1123 O GLU A 77 76.578 -12.120 -0.941 1.00 1.00 O ATOM 1124 CB GLU A 77 73.575 -13.894 -0.163 1.00 1.00 C ATOM 1125 CG GLU A 77 73.689 -15.198 0.629 1.00 1.00 C ATOM 1126 CD GLU A 77 72.770 -16.253 0.011 1.00 1.00 C ATOM 1127 OE1 GLU A 77 71.566 -16.120 0.156 1.00 1.00 O ATOM 1128 OE2 GLU A 77 73.286 -17.177 -0.597 1.00 1.00 O ATOM 0 H GLU A 77 73.232 -11.427 -0.180 1.00 1.00 H new ATOM 0 HA GLU A 77 74.960 -13.153 1.309 1.00 1.00 H new ATOM 0 HB2 GLU A 77 72.596 -13.443 -0.002 1.00 1.00 H new ATOM 0 HB3 GLU A 77 73.662 -14.096 -1.231 1.00 1.00 H new ATOM 0 HG2 GLU A 77 74.720 -15.550 0.623 1.00 1.00 H new ATOM 0 HG3 GLU A 77 73.416 -15.028 1.671 1.00 1.00 H new ATOM 1135 N LEU A 78 76.190 -14.280 -1.053 1.00 1.00 N ATOM 1136 CA LEU A 78 77.367 -14.499 -1.943 1.00 1.00 C ATOM 1137 C LEU A 78 76.887 -14.572 -3.395 1.00 1.00 C ATOM 1138 O LEU A 78 76.101 -15.426 -3.755 1.00 1.00 O ATOM 1139 CB LEU A 78 78.062 -15.817 -1.564 1.00 1.00 C ATOM 1140 CG LEU A 78 79.033 -15.576 -0.407 1.00 1.00 C ATOM 1141 CD1 LEU A 78 80.324 -14.955 -0.943 1.00 1.00 C ATOM 1142 CD2 LEU A 78 78.392 -14.622 0.604 1.00 1.00 C ATOM 0 H LEU A 78 75.660 -15.120 -0.823 1.00 1.00 H new ATOM 0 HA LEU A 78 78.073 -13.676 -1.829 1.00 1.00 H new ATOM 0 HB2 LEU A 78 77.319 -16.562 -1.278 1.00 1.00 H new ATOM 0 HB3 LEU A 78 78.599 -16.216 -2.424 1.00 1.00 H new ATOM 0 HG LEU A 78 79.261 -16.525 0.079 1.00 1.00 H new ATOM 0 HD11 LEU A 78 81.015 -14.784 -0.118 1.00 1.00 H new ATOM 0 HD12 LEU A 78 80.781 -15.632 -1.665 1.00 1.00 H new ATOM 0 HD13 LEU A 78 80.097 -14.006 -1.429 1.00 1.00 H new ATOM 0 HD21 LEU A 78 79.083 -14.449 1.429 1.00 1.00 H new ATOM 0 HD22 LEU A 78 78.165 -13.674 0.116 1.00 1.00 H new ATOM 0 HD23 LEU A 78 77.472 -15.063 0.987 1.00 1.00 H new ATOM 1154 N HIS A 79 77.353 -13.680 -4.227 1.00 1.00 N ATOM 1155 CA HIS A 79 76.931 -13.683 -5.659 1.00 1.00 C ATOM 1156 C HIS A 79 75.429 -13.968 -5.762 1.00 1.00 C ATOM 1157 O HIS A 79 75.006 -15.101 -5.867 1.00 1.00 O ATOM 1158 CB HIS A 79 77.714 -14.755 -6.426 1.00 1.00 C ATOM 1159 CG HIS A 79 77.391 -16.113 -5.867 1.00 1.00 C ATOM 1160 ND1 HIS A 79 77.983 -16.597 -4.710 1.00 1.00 N ATOM 1161 CD2 HIS A 79 76.539 -17.103 -6.295 1.00 1.00 C ATOM 1162 CE1 HIS A 79 77.486 -17.825 -4.481 1.00 1.00 C ATOM 1163 NE2 HIS A 79 76.604 -18.180 -5.417 1.00 1.00 N ATOM 0 H HIS A 79 78.013 -12.944 -3.975 1.00 1.00 H new ATOM 0 HA HIS A 79 77.138 -12.705 -6.093 1.00 1.00 H new ATOM 0 HB2 HIS A 79 77.460 -14.717 -7.485 1.00 1.00 H new ATOM 0 HB3 HIS A 79 78.784 -14.564 -6.348 1.00 1.00 H new ATOM 0 HD2 HIS A 79 75.916 -17.053 -7.176 1.00 1.00 H new ATOM 0 HE1 HIS A 79 77.766 -18.447 -3.643 1.00 1.00 H new ATOM 0 HE2 HIS A 79 76.086 -19.057 -5.476 1.00 1.00 H new ATOM 1172 N GLU A 80 74.619 -12.944 -5.737 1.00 1.00 N ATOM 1173 CA GLU A 80 73.149 -13.154 -5.839 1.00 1.00 C ATOM 1174 C GLU A 80 72.473 -11.829 -6.201 1.00 1.00 C ATOM 1175 O GLU A 80 71.958 -11.662 -7.289 1.00 1.00 O ATOM 1176 CB GLU A 80 72.610 -13.660 -4.497 1.00 1.00 C ATOM 1177 CG GLU A 80 71.224 -14.274 -4.700 1.00 1.00 C ATOM 1178 CD GLU A 80 71.368 -15.678 -5.291 1.00 1.00 C ATOM 1179 OE1 GLU A 80 72.006 -16.503 -4.658 1.00 1.00 O ATOM 1180 OE2 GLU A 80 70.838 -15.904 -6.366 1.00 1.00 O ATOM 0 H GLU A 80 74.913 -11.971 -5.650 1.00 1.00 H new ATOM 0 HA GLU A 80 72.937 -13.893 -6.612 1.00 1.00 H new ATOM 0 HB2 GLU A 80 73.289 -14.402 -4.077 1.00 1.00 H new ATOM 0 HB3 GLU A 80 72.554 -12.838 -3.783 1.00 1.00 H new ATOM 0 HG2 GLU A 80 70.693 -14.321 -3.749 1.00 1.00 H new ATOM 0 HG3 GLU A 80 70.631 -13.647 -5.366 1.00 1.00 H new ATOM 1187 N LEU A 81 72.470 -10.883 -5.298 1.00 1.00 N ATOM 1188 CA LEU A 81 71.825 -9.569 -5.593 1.00 1.00 C ATOM 1189 C LEU A 81 72.872 -8.587 -6.122 1.00 1.00 C ATOM 1190 O LEU A 81 72.672 -7.389 -6.108 1.00 1.00 O ATOM 1191 CB LEU A 81 71.202 -9.005 -4.313 1.00 1.00 C ATOM 1192 CG LEU A 81 70.383 -10.094 -3.619 1.00 1.00 C ATOM 1193 CD1 LEU A 81 69.501 -9.462 -2.541 1.00 1.00 C ATOM 1194 CD2 LEU A 81 69.499 -10.801 -4.649 1.00 1.00 C ATOM 0 H LEU A 81 72.886 -10.963 -4.370 1.00 1.00 H new ATOM 0 HA LEU A 81 71.049 -9.711 -6.345 1.00 1.00 H new ATOM 0 HB2 LEU A 81 71.983 -8.642 -3.645 1.00 1.00 H new ATOM 0 HB3 LEU A 81 70.565 -8.153 -4.551 1.00 1.00 H new ATOM 0 HG LEU A 81 71.057 -10.817 -3.159 1.00 1.00 H new ATOM 0 HD11 LEU A 81 68.918 -10.239 -2.047 1.00 1.00 H new ATOM 0 HD12 LEU A 81 70.129 -8.957 -1.807 1.00 1.00 H new ATOM 0 HD13 LEU A 81 68.827 -8.739 -3.000 1.00 1.00 H new ATOM 0 HD21 LEU A 81 68.915 -11.578 -4.155 1.00 1.00 H new ATOM 0 HD22 LEU A 81 68.826 -10.077 -5.109 1.00 1.00 H new ATOM 0 HD23 LEU A 81 70.126 -11.252 -5.418 1.00 1.00 H new ATOM 1206 N ALA A 82 73.983 -9.081 -6.592 1.00 1.00 N ATOM 1207 CA ALA A 82 75.034 -8.171 -7.126 1.00 1.00 C ATOM 1208 C ALA A 82 74.535 -7.525 -8.423 1.00 1.00 C ATOM 1209 O ALA A 82 75.265 -7.398 -9.386 1.00 1.00 O ATOM 1210 CB ALA A 82 76.305 -8.974 -7.410 1.00 1.00 C ATOM 0 H ALA A 82 74.209 -10.075 -6.629 1.00 1.00 H new ATOM 0 HA ALA A 82 75.252 -7.394 -6.393 1.00 1.00 H new ATOM 0 HB1 ALA A 82 77.075 -8.309 -7.801 1.00 1.00 H new ATOM 0 HB2 ALA A 82 76.658 -9.435 -6.488 1.00 1.00 H new ATOM 0 HB3 ALA A 82 76.089 -9.750 -8.144 1.00 1.00 H new ATOM 1216 N GLN A 83 73.293 -7.120 -8.456 1.00 1.00 N ATOM 1217 CA GLN A 83 72.739 -6.488 -9.688 1.00 1.00 C ATOM 1218 C GLN A 83 73.589 -5.276 -10.080 1.00 1.00 C ATOM 1219 O GLN A 83 73.866 -4.414 -9.270 1.00 1.00 O ATOM 1220 CB GLN A 83 71.300 -6.032 -9.423 1.00 1.00 C ATOM 1221 CG GLN A 83 70.381 -7.251 -9.330 1.00 1.00 C ATOM 1222 CD GLN A 83 69.435 -7.271 -10.532 1.00 1.00 C ATOM 1223 OE1 GLN A 83 69.476 -8.180 -11.338 1.00 1.00 O ATOM 1224 NE2 GLN A 83 68.577 -6.300 -10.688 1.00 1.00 N ATOM 0 H GLN A 83 72.636 -7.200 -7.680 1.00 1.00 H new ATOM 0 HA GLN A 83 72.753 -7.215 -10.500 1.00 1.00 H new ATOM 0 HB2 GLN A 83 71.255 -5.459 -8.497 1.00 1.00 H new ATOM 0 HB3 GLN A 83 70.964 -5.372 -10.223 1.00 1.00 H new ATOM 0 HG2 GLN A 83 70.974 -8.165 -9.305 1.00 1.00 H new ATOM 0 HG3 GLN A 83 69.808 -7.218 -8.403 1.00 1.00 H new ATOM 0 HE21 GLN A 83 68.542 -5.537 -10.012 1.00 1.00 H new ATOM 0 HE22 GLN A 83 67.941 -6.304 -11.486 1.00 1.00 H new ATOM 1233 N TYR A 84 73.999 -5.204 -11.318 1.00 1.00 N ATOM 1234 CA TYR A 84 74.828 -4.047 -11.768 1.00 1.00 C ATOM 1235 C TYR A 84 75.917 -3.763 -10.732 1.00 1.00 C ATOM 1236 O TYR A 84 76.503 -2.699 -10.714 1.00 1.00 O ATOM 1237 CB TYR A 84 73.942 -2.808 -11.916 1.00 1.00 C ATOM 1238 CG TYR A 84 72.942 -3.032 -13.025 1.00 1.00 C ATOM 1239 CD1 TYR A 84 73.349 -2.947 -14.362 1.00 1.00 C ATOM 1240 CD2 TYR A 84 71.608 -3.324 -12.716 1.00 1.00 C ATOM 1241 CE1 TYR A 84 72.422 -3.155 -15.390 1.00 1.00 C ATOM 1242 CE2 TYR A 84 70.681 -3.531 -13.745 1.00 1.00 C ATOM 1243 CZ TYR A 84 71.088 -3.447 -15.082 1.00 1.00 C ATOM 1244 OH TYR A 84 70.174 -3.651 -16.095 1.00 1.00 O ATOM 0 H TYR A 84 73.796 -5.897 -12.038 1.00 1.00 H new ATOM 0 HA TYR A 84 75.287 -4.286 -12.727 1.00 1.00 H new ATOM 0 HB2 TYR A 84 73.423 -2.606 -10.979 1.00 1.00 H new ATOM 0 HB3 TYR A 84 74.555 -1.934 -12.136 1.00 1.00 H new ATOM 0 HD1 TYR A 84 74.378 -2.721 -14.600 1.00 1.00 H new ATOM 0 HD2 TYR A 84 71.294 -3.390 -11.685 1.00 1.00 H new ATOM 0 HE1 TYR A 84 72.736 -3.090 -16.421 1.00 1.00 H new ATOM 0 HE2 TYR A 84 69.652 -3.756 -13.507 1.00 1.00 H new ATOM 0 HH TYR A 84 69.295 -3.844 -15.708 1.00 1.00 H new ATOM 1254 N GLY A 85 76.186 -4.703 -9.864 1.00 1.00 N ATOM 1255 CA GLY A 85 77.232 -4.486 -8.821 1.00 1.00 C ATOM 1256 C GLY A 85 78.370 -5.491 -9.011 1.00 1.00 C ATOM 1257 O GLY A 85 78.980 -5.939 -8.061 1.00 1.00 O ATOM 0 H GLY A 85 75.726 -5.613 -9.832 1.00 1.00 H new ATOM 0 HA2 GLY A 85 77.618 -3.469 -8.886 1.00 1.00 H new ATOM 0 HA3 GLY A 85 76.797 -4.599 -7.828 1.00 1.00 H new ATOM 1261 N ILE A 86 78.668 -5.847 -10.232 1.00 1.00 N ATOM 1262 CA ILE A 86 79.775 -6.818 -10.471 1.00 1.00 C ATOM 1263 C ILE A 86 81.100 -6.058 -10.536 1.00 1.00 C ATOM 1264 O ILE A 86 82.074 -6.533 -11.085 1.00 1.00 O ATOM 1265 CB ILE A 86 79.541 -7.572 -11.790 1.00 1.00 C ATOM 1266 CG1 ILE A 86 78.978 -6.606 -12.835 1.00 1.00 C ATOM 1267 CG2 ILE A 86 78.544 -8.709 -11.559 1.00 1.00 C ATOM 1268 CD1 ILE A 86 79.989 -5.487 -13.094 1.00 1.00 C ATOM 0 H ILE A 86 78.195 -5.509 -11.071 1.00 1.00 H new ATOM 0 HA ILE A 86 79.805 -7.542 -9.656 1.00 1.00 H new ATOM 0 HB ILE A 86 80.486 -7.984 -12.145 1.00 1.00 H new ATOM 0 HG12 ILE A 86 78.765 -7.140 -13.761 1.00 1.00 H new ATOM 0 HG13 ILE A 86 78.035 -6.185 -12.486 1.00 1.00 H new ATOM 0 HG21 ILE A 86 78.378 -9.243 -12.494 1.00 1.00 H new ATOM 0 HG22 ILE A 86 78.943 -9.397 -10.814 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.599 -8.298 -11.204 1.00 1.00 H new ATOM 0 HD11 ILE A 86 79.588 -4.799 -13.838 1.00 1.00 H new ATOM 0 HD12 ILE A 86 80.180 -4.947 -12.167 1.00 1.00 H new ATOM 0 HD13 ILE A 86 80.921 -5.916 -13.462 1.00 1.00 H new ATOM 1280 N CYS A 87 81.142 -4.879 -9.977 1.00 1.00 N ATOM 1281 CA CYS A 87 82.402 -4.085 -10.002 1.00 1.00 C ATOM 1282 C CYS A 87 83.524 -4.885 -9.337 1.00 1.00 C ATOM 1283 CB CYS A 87 82.193 -2.773 -9.242 1.00 1.00 C ATOM 1284 SG CYS A 87 83.782 -1.928 -9.049 1.00 1.00 S ATOM 0 H CYS A 87 80.357 -4.432 -9.504 1.00 1.00 H new ATOM 0 HA CYS A 87 82.674 -3.868 -11.035 1.00 1.00 H new ATOM 0 HB2 CYS A 87 81.493 -2.135 -9.782 1.00 1.00 H new ATOM 0 HB3 CYS A 87 81.754 -2.972 -8.264 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 63.474 1.655 -5.190 1.00 1.00 C HETATM 1291 O1G RCY A 110 62.328 3.884 -5.511 1.00 1.00 O HETATM 1292 O1H RCY A 110 58.343 1.408 -4.978 1.00 1.00 O HETATM 1293 O1J RCY A 110 63.876 4.014 -3.362 1.00 1.00 O HETATM 1294 C1L RCY A 110 60.109 4.042 -6.530 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.936 1.709 -2.498 1.00 1.00 C HETATM 1296 C1P RCY A 110 61.188 3.435 -5.624 1.00 1.00 C HETATM 1297 C1Q RCY A 110 59.277 2.038 -5.470 1.00 1.00 C HETATM 1298 N1R RCY A 110 60.672 2.204 -4.881 1.00 1.00 N HETATM 1299 C1S RCY A 110 59.250 2.798 -6.784 1.00 1.00 C HETATM 1300 C1U RCY A 110 61.368 1.351 -3.819 1.00 1.00 C HETATM 1301 C1V RCY A 110 63.584 0.506 -2.933 1.00 1.00 C HETATM 1302 N1V RCY A 110 62.945 2.922 -3.095 1.00 1.00 N HETATM 1303 C1W RCY A 110 61.819 2.886 -2.064 1.00 1.00 C HETATM 1304 C1X RCY A 110 62.880 1.565 -3.783 1.00 1.00 C HETATM 1305 C1Y RCY A 110 62.384 2.646 -0.661 1.00 1.00 C HETATM 1306 C1Z RCY A 110 61.049 4.206 -2.117 1.00 1.00 C HETATM 0 H1ZB RCY A 110 60.706 4.387 -3.136 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 60.189 4.153 -1.449 1.00 1.00 H new HETATM 0 H1YB RCY A 110 61.563 2.540 0.048 1.00 1.00 H new HETATM 0 H1YA RCY A 110 62.984 1.736 -0.661 1.00 1.00 H new HETATM 0 H1VB RCY A 110 63.482 -0.469 -3.409 1.00 1.00 H new HETATM 0 H1VA RCY A 110 64.641 0.757 -2.841 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.883 1.991 -2.496 1.00 1.00 H new HETATM 0 H1LA RCY A 110 59.553 4.840 -6.039 1.00 1.00 H new HETATM 0 H1CB RCY A 110 63.272 0.730 -5.730 1.00 1.00 H new HETATM 0 H1CA RCY A 110 63.023 2.492 -5.723 1.00 1.00 H new HETATM 0 H1Z RCY A 110 61.702 5.021 -1.804 1.00 1.00 H new HETATM 0 H1Y RCY A 110 63.008 3.491 -0.370 1.00 1.00 H new HETATM 0 H1V RCY A 110 63.131 0.475 -1.942 1.00 1.00 H new HETATM 0 H1U RCY A 110 61.115 0.326 -4.089 1.00 1.00 H new HETATM 0 H1S RCY A 110 59.655 2.197 -7.598 1.00 1.00 H new HETATM 0 H1M RCY A 110 61.043 0.869 -1.812 1.00 1.00 H new HETATM 0 H1L RCY A 110 60.522 4.459 -7.449 1.00 1.00 H new HETATM 0 H1C RCY A 110 64.551 1.807 -5.121 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.794 9.486 -10.975 1.00 1.00 C HETATM 1310 O1G RCY A 121 66.612 8.732 -14.402 1.00 1.00 O HETATM 1311 O1H RCY A 121 64.876 9.483 -13.085 1.00 1.00 O HETATM 1312 O1J RCY A 121 62.187 7.903 -8.980 1.00 1.00 O HETATM 1313 C1L RCY A 121 65.344 8.630 -12.244 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.954 5.977 -10.807 1.00 1.00 C HETATM 1315 C1P RCY A 121 66.557 8.679 -13.190 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.974 8.929 -13.115 1.00 1.00 C HETATM 1317 N1R RCY A 121 66.048 7.602 -12.276 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.571 7.714 -12.536 1.00 1.00 C HETATM 1319 C1U RCY A 121 64.782 7.217 -11.507 1.00 1.00 C HETATM 1320 C1V RCY A 121 65.636 8.530 -9.518 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.398 7.411 -9.630 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.912 5.973 -9.682 1.00 1.00 C HETATM 1323 C1X RCY A 121 64.431 8.216 -10.407 1.00 1.00 C HETATM 1324 C1Y RCY A 121 64.560 5.588 -8.349 1.00 1.00 C HETATM 1325 C1Z RCY A 121 62.748 5.037 -10.005 1.00 1.00 C HETATM 0 H1ZB RCY A 121 62.263 5.364 -10.925 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.123 4.021 -10.133 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.995 4.592 -8.430 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.342 6.307 -8.103 1.00 1.00 H new HETATM 0 H1VA RCY A 121 65.319 9.155 -8.683 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.808 5.129 -11.476 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.490 9.966 -11.663 1.00 1.00 H new HETATM 0 H1CA RCY A 121 62.878 9.227 -11.507 1.00 1.00 H new HETATM 0 H1Z RCY A 121 62.027 5.057 -9.188 1.00 1.00 H new HETATM 0 H1Y RCY A 121 63.805 5.591 -7.563 1.00 1.00 H new HETATM 0 H1V RCY A 121 66.058 7.601 -9.136 1.00 1.00 H new HETATM 0 H1S RCY A 121 66.492 6.727 -12.992 1.00 1.00 H new HETATM 0 H1M RCY A 121 65.963 5.895 -10.403 1.00 1.00 H new HETATM 0 H1C RCY A 121 63.559 10.171 -10.160 1.00 1.00 H new HETATM 1328 C1C RCY A 130 81.266 5.788 -8.711 1.00 1.00 C HETATM 1329 O1G RCY A 130 82.405 4.911 -4.777 1.00 1.00 O HETATM 1330 O1H RCY A 130 81.052 9.340 -5.703 1.00 1.00 O HETATM 1331 O1J RCY A 130 78.431 5.728 -9.724 1.00 1.00 O HETATM 1332 C1L RCY A 130 83.266 7.101 -4.106 1.00 1.00 C HETATM 1333 C1M RCY A 130 78.892 6.932 -6.113 1.00 1.00 C HETATM 1334 C1P RCY A 130 82.333 6.137 -4.850 1.00 1.00 C HETATM 1335 C1Q RCY A 130 81.737 8.338 -5.507 1.00 1.00 C HETATM 1336 N1R RCY A 130 81.304 6.889 -5.692 1.00 1.00 N HETATM 1337 C1S RCY A 130 83.179 8.318 -5.033 1.00 1.00 C HETATM 1338 C1U RCY A 130 80.136 6.339 -6.513 1.00 1.00 C HETATM 1339 C1V RCY A 130 80.527 8.164 -8.224 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.834 6.333 -8.458 1.00 1.00 N HETATM 1341 C1W RCY A 130 77.936 6.761 -7.300 1.00 1.00 C HETATM 1342 C1X RCY A 130 80.244 6.677 -7.999 1.00 1.00 C HETATM 1343 C1Y RCY A 130 77.238 8.086 -7.624 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.907 5.663 -7.031 1.00 1.00 C HETATM 0 H1ZB RCY A 130 77.421 4.717 -6.861 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 76.321 5.922 -6.149 1.00 1.00 H new HETATM 0 H1YB RCY A 130 76.668 8.419 -6.756 1.00 1.00 H new HETATM 0 H1YA RCY A 130 77.985 8.838 -7.878 1.00 1.00 H new HETATM 0 H1VB RCY A 130 81.518 8.408 -7.840 1.00 1.00 H new HETATM 0 H1VA RCY A 130 80.487 8.385 -9.291 1.00 1.00 H new HETATM 0 H1MA RCY A 130 78.497 6.445 -5.222 1.00 1.00 H new HETATM 0 H1LA RCY A 130 82.920 7.320 -3.096 1.00 1.00 H new HETATM 0 H1CB RCY A 130 82.247 5.926 -8.257 1.00 1.00 H new HETATM 0 H1CA RCY A 130 80.967 4.744 -8.619 1.00 1.00 H new HETATM 0 H1Z RCY A 130 76.244 5.567 -7.891 1.00 1.00 H new HETATM 0 H1Y RCY A 130 76.564 7.945 -8.469 1.00 1.00 H new HETATM 0 H1V RCY A 130 79.779 8.760 -7.702 1.00 1.00 H new HETATM 0 H1U RCY A 130 80.172 5.263 -6.343 1.00 1.00 H new HETATM 0 H1S RCY A 130 83.870 8.228 -5.871 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.024 7.986 -5.868 1.00 1.00 H new HETATM 0 H1L RCY A 130 84.282 6.715 -4.018 1.00 1.00 H new HETATM 0 H1C RCY A 130 81.313 6.060 -9.765 1.00 1.00 H new HETATM 1347 C1C RCY A 138 82.393 -4.700 0.589 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.883 -0.709 -1.971 1.00 1.00 O HETATM 1349 O1H RCY A 138 85.197 -4.175 0.955 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.212 -2.681 0.105 1.00 1.00 O HETATM 1351 C1L RCY A 138 85.341 -0.780 -0.007 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.694 -3.186 -2.774 1.00 1.00 C HETATM 1353 C1P RCY A 138 84.371 -1.357 -1.047 1.00 1.00 C HETATM 1354 C1Q RCY A 138 84.840 -3.085 0.510 1.00 1.00 C HETATM 1355 N1R RCY A 138 84.088 -2.836 -0.791 1.00 1.00 N HETATM 1356 C1S RCY A 138 85.069 -1.733 1.162 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.263 -3.822 -1.621 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.416 -5.554 -1.588 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.130 -3.156 -0.926 1.00 1.00 N HETATM 1360 C1W RCY A 138 81.378 -2.551 -2.306 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.052 -4.366 -0.865 1.00 1.00 C HETATM 1362 C1Y RCY A 138 80.237 -2.910 -3.262 1.00 1.00 C HETATM 1363 C1Z RCY A 138 81.511 -1.034 -2.171 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.287 -0.800 -1.442 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 81.779 -0.605 -3.137 1.00 1.00 H new HETATM 0 H1YA RCY A 138 80.115 -3.993 -3.293 1.00 1.00 H new HETATM 0 H1VB RCY A 138 82.109 -6.395 -1.584 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.496 -5.840 -1.079 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.370 -2.431 -3.175 1.00 1.00 H new HETATM 0 H1LA RCY A 138 86.378 -0.813 -0.340 1.00 1.00 H new HETATM 0 H1CB RCY A 138 83.179 -5.455 0.614 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.738 -3.800 1.098 1.00 1.00 H new HETATM 0 H1Y RCY A 138 79.312 -2.451 -2.913 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.189 -5.275 -2.617 1.00 1.00 H new HETATM 0 H1U RCY A 138 83.967 -4.615 -1.874 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.198 -1.417 1.736 1.00 1.00 H new HETATM 0 H1M RCY A 138 82.516 -3.909 -3.570 1.00 1.00 H new HETATM 0 H1L RCY A 138 85.119 0.258 0.240 1.00 1.00 H new HETATM 0 H1C RCY A 138 81.505 -5.084 1.092 1.00 1.00 H new HETATM 1366 C1C RCY A 150 82.229 4.354 8.002 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.252 3.215 10.287 1.00 1.00 O HETATM 1368 O1H RCY A 150 80.920 -1.034 8.252 1.00 1.00 O HETATM 1369 O1J RCY A 150 83.134 4.482 5.132 1.00 1.00 O HETATM 1370 C1L RCY A 150 80.187 1.116 10.956 1.00 1.00 C HETATM 1371 C1M RCY A 150 82.048 1.027 6.392 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.966 2.049 10.020 1.00 1.00 C HETATM 1373 C1Q RCY A 150 80.656 -0.002 8.868 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.343 1.349 8.715 1.00 1.00 N HETATM 1375 C1S RCY A 150 79.579 0.158 9.926 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.190 1.863 7.550 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.244 3.310 6.821 1.00 1.00 C HETATM 1378 N1V RCY A 150 82.503 3.314 5.740 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.449 1.890 5.190 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.753 3.244 7.063 1.00 1.00 C HETATM 1381 C1Y RCY A 150 81.400 1.785 4.078 1.00 1.00 C HETATM 1382 C1Z RCY A 150 83.831 1.503 4.664 1.00 1.00 C HETATM 0 H1ZB RCY A 150 84.572 1.641 5.452 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 83.822 0.458 4.353 1.00 1.00 H new HETATM 0 H1YB RCY A 150 81.315 0.747 3.755 1.00 1.00 H new HETATM 0 H1YA RCY A 150 80.436 2.129 4.453 1.00 1.00 H new HETATM 0 H1VB RCY A 150 79.718 3.203 7.770 1.00 1.00 H new HETATM 0 H1VA RCY A 150 79.989 4.270 6.371 1.00 1.00 H new HETATM 0 H1MA RCY A 150 82.684 0.145 6.468 1.00 1.00 H new HETATM 0 H1LA RCY A 150 80.834 0.606 11.670 1.00 1.00 H new HETATM 0 H1CB RCY A 150 81.811 4.194 8.996 1.00 1.00 H new HETATM 0 H1CA RCY A 150 83.317 4.340 8.059 1.00 1.00 H new HETATM 0 H1Z RCY A 150 84.086 2.133 3.812 1.00 1.00 H new HETATM 0 H1Y RCY A 150 81.702 2.404 3.233 1.00 1.00 H new HETATM 0 H1V RCY A 150 79.948 2.505 6.149 1.00 1.00 H new HETATM 0 H1U RCY A 150 83.206 1.879 7.944 1.00 1.00 H new HETATM 0 H1S RCY A 150 78.662 0.565 9.500 1.00 1.00 H new HETATM 0 H1M RCY A 150 81.022 0.672 6.292 1.00 1.00 H new HETATM 0 H1L RCY A 150 79.428 1.643 11.534 1.00 1.00 H new HETATM 0 H1C RCY A 150 81.898 5.320 7.621 1.00 1.00 H new HETATM 1385 C1C RCY A 160 75.709 8.884 0.989 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.844 8.737 2.707 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.300 9.928 5.591 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.466 5.962 1.679 1.00 1.00 O HETATM 1389 C1L RCY A 160 76.752 9.410 5.058 1.00 1.00 C HETATM 1390 C1M RCY A 160 72.614 8.214 2.904 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.174 9.113 3.668 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.387 9.897 5.017 1.00 1.00 C HETATM 1393 N1R RCY A 160 74.664 9.341 3.625 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.706 10.408 5.568 1.00 1.00 C HETATM 1395 C1U RCY A 160 73.676 9.083 2.486 1.00 1.00 C HETATM 1396 C1V RCY A 160 73.404 8.360 0.075 1.00 1.00 C HETATM 1397 N1V RCY A 160 74.403 6.942 1.881 1.00 1.00 N HETATM 1398 C1W RCY A 160 73.134 6.783 2.716 1.00 1.00 C HETATM 1399 C1X RCY A 160 74.311 8.348 1.306 1.00 1.00 C HETATM 1400 C1Y RCY A 160 72.104 5.930 1.969 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.493 6.142 4.057 1.00 1.00 C HETATM 0 H1ZB RCY A 160 74.269 6.731 4.546 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 72.608 6.108 4.693 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.911 6.367 0.989 1.00 1.00 H new HETATM 0 H1VB RCY A 160 73.303 9.381 -0.292 1.00 1.00 H new HETATM 0 H1VA RCY A 160 73.840 7.735 -0.705 1.00 1.00 H new HETATM 0 H1MA RCY A 160 72.347 8.398 3.945 1.00 1.00 H new HETATM 0 H1LA RCY A 160 76.818 8.519 5.682 1.00 1.00 H new HETATM 0 H1CB RCY A 160 75.644 9.943 0.738 1.00 1.00 H new HETATM 0 H1CA RCY A 160 76.354 8.756 1.859 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.858 5.129 3.890 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.491 4.918 1.845 1.00 1.00 H new HETATM 0 H1V RCY A 160 72.421 7.972 0.343 1.00 1.00 H new HETATM 0 H1U RCY A 160 73.329 10.076 2.201 1.00 1.00 H new HETATM 0 H1S RCY A 160 75.918 11.418 5.217 1.00 1.00 H new HETATM 0 H1M RCY A 160 71.716 8.383 2.310 1.00 1.00 H new HETATM 0 H1L RCY A 160 77.752 9.841 5.011 1.00 1.00 H new HETATM 0 H1C RCY A 160 76.126 8.336 0.144 1.00 1.00 H new HETATM 1404 C1C RCY A 168 71.213 5.707 3.236 1.00 1.00 C HETATM 1405 O1G RCY A 168 73.447 1.459 4.240 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.149 3.122 5.274 1.00 1.00 O HETATM 1407 O1J RCY A 168 70.185 5.846 0.409 1.00 1.00 O HETATM 1408 C1L RCY A 168 72.036 1.330 6.236 1.00 1.00 C HETATM 1409 C1M RCY A 168 70.509 2.328 1.902 1.00 1.00 C HETATM 1410 C1P RCY A 168 72.403 1.769 4.812 1.00 1.00 C HETATM 1411 C1Q RCY A 168 70.333 2.795 5.351 1.00 1.00 C HETATM 1412 N1R RCY A 168 71.311 2.641 4.194 1.00 1.00 N HETATM 1413 C1S RCY A 168 71.090 2.470 6.626 1.00 1.00 C HETATM 1414 C1U RCY A 168 71.215 3.216 2.779 1.00 1.00 C HETATM 1415 C1V RCY A 168 69.064 4.378 3.437 1.00 1.00 C HETATM 1416 N1V RCY A 168 70.195 4.629 1.217 1.00 1.00 N HETATM 1417 C1W RCY A 168 69.996 3.191 0.743 1.00 1.00 C HETATM 1418 C1X RCY A 168 70.409 4.512 2.720 1.00 1.00 C HETATM 1419 C1Y RCY A 168 68.512 2.915 0.481 1.00 1.00 C HETATM 1420 C1Z RCY A 168 70.818 2.964 -0.526 1.00 1.00 C HETATM 0 H1ZB RCY A 168 71.860 3.223 -0.336 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 70.753 1.916 -0.819 1.00 1.00 H new HETATM 0 H1YB RCY A 168 68.377 1.864 0.225 1.00 1.00 H new HETATM 0 H1YA RCY A 168 67.935 3.147 1.376 1.00 1.00 H new HETATM 0 H1VB RCY A 168 69.233 4.240 4.505 1.00 1.00 H new HETATM 0 H1VA RCY A 168 68.475 5.281 3.277 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.165 1.537 1.538 1.00 1.00 H new HETATM 0 H1LA RCY A 168 71.548 0.356 6.260 1.00 1.00 H new HETATM 0 H1CB RCY A 168 71.501 5.531 4.272 1.00 1.00 H new HETATM 0 H1Z RCY A 168 70.429 3.590 -1.329 1.00 1.00 H new HETATM 0 H1Y RCY A 168 68.167 3.537 -0.345 1.00 1.00 H new HETATM 0 H1V RCY A 168 68.525 3.518 3.041 1.00 1.00 H new HETATM 0 H1U RCY A 168 72.252 3.375 2.482 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.642 3.336 6.990 1.00 1.00 H new HETATM 0 H1M RCY A 168 69.683 1.843 2.422 1.00 1.00 H new HETATM 0 H1L RCY A 168 72.905 1.267 6.890 1.00 1.00 H new HETATM 0 H1C RCY A 168 70.603 6.609 3.177 1.00 1.00 H new HETATM 1423 C1C RCY A 173 71.842 -4.802 2.935 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.475 -1.728 -0.290 1.00 1.00 O HETATM 1425 O1H RCY A 173 68.329 -4.349 2.063 1.00 1.00 O HETATM 1426 O1J RCY A 173 74.185 -3.533 1.531 1.00 1.00 O HETATM 1427 C1L RCY A 173 69.616 -3.152 -1.000 1.00 1.00 C HETATM 1428 C1M RCY A 173 71.402 -1.140 2.643 1.00 1.00 C HETATM 1429 C1P RCY A 173 70.568 -2.502 0.012 1.00 1.00 C HETATM 1430 C1Q RCY A 173 69.142 -3.959 1.226 1.00 1.00 C HETATM 1431 N1R RCY A 173 70.250 -2.936 1.442 1.00 1.00 N HETATM 1432 C1S RCY A 173 69.225 -4.412 -0.220 1.00 1.00 C HETATM 1433 C1U RCY A 173 70.875 -2.469 2.758 1.00 1.00 C HETATM 1434 C1V RCY A 173 72.507 -3.023 4.613 1.00 1.00 C HETATM 1435 N1V RCY A 173 73.126 -2.781 2.199 1.00 1.00 N HETATM 1436 C1W RCY A 173 72.820 -1.290 2.077 1.00 1.00 C HETATM 1437 C1X RCY A 173 72.082 -3.310 3.172 1.00 1.00 C HETATM 1438 C1Y RCY A 173 73.818 -0.469 2.898 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.874 -0.887 0.603 1.00 1.00 C HETATM 0 H1ZB RCY A 173 72.202 -1.523 0.027 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 72.567 0.154 0.499 1.00 1.00 H new HETATM 0 H1VA RCY A 173 73.432 -3.556 4.833 1.00 1.00 H new HETATM 0 H1MA RCY A 173 70.782 -0.531 1.985 1.00 1.00 H new HETATM 0 H1LA RCY A 173 68.758 -2.521 -1.231 1.00 1.00 H new HETATM 0 H1CA RCY A 173 71.651 -4.976 1.876 1.00 1.00 H new HETATM 0 H1Z RCY A 173 73.892 -1.004 0.231 1.00 1.00 H new HETATM 0 H1S RCY A 173 69.966 -5.202 -0.346 1.00 1.00 H new HETATM 0 H1L RCY A 173 70.106 -3.382 -1.946 1.00 1.00 H new HETATM 1442 C1C RCY A 176 72.722 -3.967 6.423 1.00 1.00 C HETATM 1443 O1G RCY A 176 73.804 -6.383 5.940 1.00 1.00 O HETATM 1444 O1H RCY A 176 76.016 -4.897 2.041 1.00 1.00 O HETATM 1445 O1J RCY A 176 71.811 -1.170 5.778 1.00 1.00 O HETATM 1446 C1L RCY A 176 75.106 -7.528 4.214 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.163 -2.795 3.222 1.00 1.00 C HETATM 1448 C1P RCY A 176 74.428 -6.325 4.882 1.00 1.00 C HETATM 1449 C1Q RCY A 176 75.349 -5.563 2.832 1.00 1.00 C HETATM 1450 N1R RCY A 176 74.624 -5.046 4.069 1.00 1.00 N HETATM 1451 C1S RCY A 176 75.098 -7.058 2.755 1.00 1.00 C HETATM 1452 C1U RCY A 176 74.204 -3.613 4.401 1.00 1.00 C HETATM 1453 C1V RCY A 176 71.783 -4.289 4.090 1.00 1.00 C HETATM 1454 N1V RCY A 176 72.543 -2.026 4.849 1.00 1.00 N HETATM 1455 C1W RCY A 176 73.237 -1.618 3.551 1.00 1.00 C HETATM 1456 C1X RCY A 176 72.785 -3.525 4.959 1.00 1.00 C HETATM 1457 C1Y RCY A 176 72.208 -1.415 2.435 1.00 1.00 C HETATM 1458 C1Z RCY A 176 74.032 -0.335 3.791 1.00 1.00 C HETATM 0 H1ZB RCY A 176 74.716 -0.482 4.627 1.00 1.00 H new HETATM 0 H1YB RCY A 176 72.724 -1.207 1.498 1.00 1.00 H new HETATM 0 H1VA RCY A 176 70.772 -4.111 4.457 1.00 1.00 H new HETATM 0 H1MA RCY A 176 75.160 -2.444 2.957 1.00 1.00 H new HETATM 0 H1LA RCY A 176 76.114 -7.701 4.591 1.00 1.00 H new HETATM 0 H1CB RCY A 176 73.059 -5.000 6.506 1.00 1.00 H new HETATM 0 H1CA RCY A 176 73.366 -3.326 7.025 1.00 1.00 H new HETATM 0 H1U RCY A 176 74.943 -3.278 5.129 1.00 1.00 H new HETATM 0 H1S RCY A 176 74.144 -7.275 2.274 1.00 1.00 H new HETATM 0 H1L RCY A 176 74.549 -8.454 4.357 1.00 1.00 H new HETATM 0 H1C RCY A 176 71.696 -3.890 6.783 1.00 1.00 H new HETATM 1461 C1C RCY A 187 81.645 0.986 -3.519 1.00 1.00 C HETATM 1462 O1G RCY A 187 82.436 1.365 -5.341 1.00 1.00 O HETATM 1463 O1H RCY A 187 81.956 -3.050 -6.947 1.00 1.00 O HETATM 1464 O1J RCY A 187 79.066 1.661 -4.920 1.00 1.00 O HETATM 1465 C1L RCY A 187 83.208 0.225 -7.364 1.00 1.00 C HETATM 1466 C1M RCY A 187 79.914 -2.072 -4.680 1.00 1.00 C HETATM 1467 C1P RCY A 187 82.517 0.328 -5.998 1.00 1.00 C HETATM 1468 C1Q RCY A 187 82.421 -1.947 -6.663 1.00 1.00 C HETATM 1469 N1R RCY A 187 81.943 -1.017 -5.556 1.00 1.00 N HETATM 1470 C1S RCY A 187 83.584 -1.261 -7.357 1.00 1.00 C HETATM 1471 C1U RCY A 187 81.104 -1.353 -4.322 1.00 1.00 C HETATM 1472 C1V RCY A 187 80.002 -0.450 -2.228 1.00 1.00 C HETATM 1473 N1V RCY A 187 79.469 0.305 -4.555 1.00 1.00 N HETATM 1474 C1W RCY A 187 78.868 -1.011 -5.045 1.00 1.00 C HETATM 1475 C1X RCY A 187 80.581 -0.110 -3.603 1.00 1.00 C HETATM 1476 C1Y RCY A 187 77.543 -1.293 -4.331 1.00 1.00 C HETATM 1477 C1Z RCY A 187 78.660 -0.934 -6.557 1.00 1.00 C HETATM 0 H1ZB RCY A 187 79.601 -0.674 -7.041 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 78.317 -1.900 -6.927 1.00 1.00 H new HETATM 0 H1YB RCY A 187 77.171 -2.273 -4.629 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.700 -1.277 -3.253 1.00 1.00 H new HETATM 0 H1VA RCY A 187 79.542 0.439 -1.797 1.00 1.00 H new HETATM 0 H1MA RCY A 187 80.101 -2.740 -5.521 1.00 1.00 H new HETATM 0 H1LA RCY A 187 82.543 0.483 -8.188 1.00 1.00 H new HETATM 0 H1CB RCY A 187 82.510 0.612 -2.971 1.00 1.00 H new HETATM 0 H1CA RCY A 187 81.950 1.275 -4.525 1.00 1.00 H new HETATM 0 H1Z RCY A 187 77.913 -0.173 -6.783 1.00 1.00 H new HETATM 0 H1Y RCY A 187 76.814 -0.530 -4.602 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.250 -1.232 -2.333 1.00 1.00 H new HETATM 0 H1U RCY A 187 81.778 -1.929 -3.688 1.00 1.00 H new HETATM 0 H1S RCY A 187 84.520 -1.431 -6.824 1.00 1.00 H new HETATM 0 H1L RCY A 187 84.079 0.876 -7.441 1.00 1.00 H new HETATM 0 H1C RCY A 187 81.234 1.853 -3.001 1.00 1.00 H new