USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=23 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 10 CYS H : A 10 CYS N : A 110 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 33 ARGHH21 : A 33 ARG NH2 : A 150 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 33 ARGHH22 : A 33 ARG NH2 : A 150 RCY N1V :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZB : A 110 RCY C1Z : A 10 CYS N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1ZA : A 110 RCY C1Z : A 10 CYS N :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Z : A 150 RCY C1Z : A 33 ARG NE :(H bumps) USER MOD NoAdj-H: A 150 RCY H1Y : A 150 RCY C1Y : A 33 ARG CZ :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 187 RCY O1J :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YB : A 176 RCY C1Y : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1YA : A 176 RCY C1Y : A 187 RCY C1X :(H bumps) USER MOD NoAdj-H: A 176 RCYH1VB : A 176 RCY C1V : A 187 RCY C1Z :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 176 RCYH1MA : A 176 RCY C1M : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CB : A 176 RCY C1C : A 173 RCY C1Q :(H bumps) USER MOD NoAdj-H: A 176 RCYH1CA : A 176 RCY C1C : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 176 RCY H1Y : A 176 RCY C1Y : A 187 RCY C1C :(H bumps) USER MOD NoAdj-H: A 176 RCY H1V : A 176 RCY C1V : A 187 RCY C1W :(H bumps) USER MOD NoAdj-H: A 176 RCY H1M : A 176 RCY C1M : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 176 RCY H1C : A 176 RCY C1C : A 173 RCY C1U :(H bumps) USER MOD NoAdj-H: A 187 RCYH1ZB : A 187 RCY C1Z : A 176 RCY C1V :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 176 RCY N1R :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 176 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Z : A 187 RCY C1Z : A 176 RCY C1X :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 176 RCY C1M :(H bumps) USER MOD NoAdj-H: A 187 RCY H1C : A 187 RCY C1C : A 176 RCY C1Y :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.139 (180deg=-0.141) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.446 F(o=-1.8!,f=-0.45) USER MOD Single : A 7 LYS NZ :NH3+ 148:sc= -0.0696 (180deg=-0.989) USER MOD Single : A 12 SER OG : rot -38:sc= 0.0817 USER MOD Single : A 14 THR OG1 : rot 67:sc= 1.19 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -0.0841 (180deg=-0.549) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.263 (180deg=-1.15) USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -0.0415 (180deg=-0.456) USER MOD Single : A 32 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 34 GLN :FLIP amide:sc= -2.7! C(o=-3.8!,f=-2.7!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.286 F(o=-1.3,f=-0.29) USER MOD Single : A 39 LYS NZ :NH3+ -119:sc= -5.93! (180deg=-9.96!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 154:sc= -6.76! (180deg=-8.85!) USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= -0.227 (180deg=-1.31!) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.057 (180deg=-0.684) USER MOD Single : A 48 GLN :FLIP amide:sc=-0.00239 F(o=-1.3,f=-0.0024) USER MOD Single : A 57 MET CE :methyl -157:sc= -0.559 (180deg=-1.78) USER MOD Single : A 62 THR OG1 : rot -101:sc= -0.542! USER MOD Single : A 65 THR OG1 : rot -7:sc= -2.6! USER MOD Single : A 74 ASN : amide:sc= -6.16! C(o=-6.2!,f=-10!) USER MOD Single : A 75 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.0045) USER MOD Single : A 79 HIS : no HD1:sc= -0.405 X(o=-0.4,f=-0.16) USER MOD Single : A 83 GLN : amide:sc= -3.82! C(o=-3.8!,f=-6.6!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 60.467 8.934 21.684 1.00 1.00 N ATOM 2 CA MET A 1 59.828 10.110 21.029 1.00 1.00 C ATOM 3 C MET A 1 59.394 9.728 19.611 1.00 1.00 C ATOM 4 O MET A 1 58.867 10.536 18.873 1.00 1.00 O ATOM 5 CB MET A 1 60.831 11.265 20.966 1.00 1.00 C ATOM 6 CG MET A 1 60.153 12.501 20.371 1.00 1.00 C ATOM 7 SD MET A 1 60.999 13.992 20.952 1.00 1.00 S ATOM 8 CE MET A 1 62.291 14.028 19.685 1.00 1.00 C ATOM 0 H1 MET A 1 60.883 9.226 22.592 1.00 1.00 H new ATOM 0 H2 MET A 1 59.751 8.198 21.851 1.00 1.00 H new ATOM 0 H3 MET A 1 61.214 8.556 21.067 1.00 1.00 H new ATOM 0 HA MET A 1 58.955 10.420 21.604 1.00 1.00 H new ATOM 0 HB2 MET A 1 61.206 11.489 21.964 1.00 1.00 H new ATOM 0 HB3 MET A 1 61.690 10.981 20.358 1.00 1.00 H new ATOM 0 HG2 MET A 1 60.180 12.455 19.282 1.00 1.00 H new ATOM 0 HG3 MET A 1 59.103 12.529 20.663 1.00 1.00 H new ATOM 0 HE1 MET A 1 62.942 14.886 19.854 1.00 1.00 H new ATOM 0 HE2 MET A 1 62.878 13.111 19.738 1.00 1.00 H new ATOM 0 HE3 MET A 1 61.832 14.109 18.700 1.00 1.00 H new ATOM 17 N ASN A 2 59.611 8.499 19.228 1.00 1.00 N ATOM 18 CA ASN A 2 59.210 8.056 17.862 1.00 1.00 C ATOM 19 C ASN A 2 58.777 6.590 17.919 1.00 1.00 C ATOM 20 O ASN A 2 58.097 6.097 17.041 1.00 1.00 O ATOM 21 CB ASN A 2 60.397 8.203 16.907 1.00 1.00 C ATOM 22 CG ASN A 2 59.907 8.099 15.461 1.00 1.00 C ATOM 23 OD1 ASN A 2 58.644 7.868 15.229 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 60.681 8.230 14.534 1.00 1.00 N flip ATOM 0 H ASN A 2 60.050 7.781 19.804 1.00 1.00 H new ATOM 0 HA ASN A 2 58.383 8.670 17.504 1.00 1.00 H new ATOM 0 HB2 ASN A 2 60.889 9.162 17.067 1.00 1.00 H new ATOM 0 HB3 ASN A 2 61.137 7.428 17.108 1.00 1.00 H new ATOM 0 HD21 ASN A 2 61.668 8.411 14.716 1.00 1.00 H new ATOM 0 HD22 ASN A 2 60.344 8.159 13.574 1.00 1.00 H new ATOM 31 N LEU A 3 59.164 5.892 18.952 1.00 1.00 N ATOM 32 CA LEU A 3 58.775 4.460 19.078 1.00 1.00 C ATOM 33 C LEU A 3 59.188 3.697 17.817 1.00 1.00 C ATOM 34 O LEU A 3 58.380 3.054 17.177 1.00 1.00 O ATOM 35 CB LEU A 3 57.259 4.358 19.263 1.00 1.00 C ATOM 36 CG LEU A 3 56.815 5.305 20.380 1.00 1.00 C ATOM 37 CD1 LEU A 3 55.297 5.226 20.544 1.00 1.00 C ATOM 38 CD2 LEU A 3 57.491 4.897 21.691 1.00 1.00 C ATOM 0 H LEU A 3 59.735 6.254 19.716 1.00 1.00 H new ATOM 0 HA LEU A 3 59.279 4.025 19.941 1.00 1.00 H new ATOM 0 HB2 LEU A 3 56.751 4.612 18.333 1.00 1.00 H new ATOM 0 HB3 LEU A 3 56.980 3.333 19.509 1.00 1.00 H new ATOM 0 HG LEU A 3 57.099 6.326 20.125 1.00 1.00 H new ATOM 0 HD11 LEU A 3 54.981 5.901 21.340 1.00 1.00 H new ATOM 0 HD12 LEU A 3 54.815 5.515 19.610 1.00 1.00 H new ATOM 0 HD13 LEU A 3 55.011 4.206 20.799 1.00 1.00 H new ATOM 0 HD21 LEU A 3 57.176 5.571 22.488 1.00 1.00 H new ATOM 0 HD22 LEU A 3 57.206 3.876 21.945 1.00 1.00 H new ATOM 0 HD23 LEU A 3 58.573 4.953 21.575 1.00 1.00 H new ATOM 50 N GLU A 4 60.441 3.756 17.459 1.00 1.00 N ATOM 51 CA GLU A 4 60.902 3.026 16.245 1.00 1.00 C ATOM 52 C GLU A 4 60.460 1.562 16.349 1.00 1.00 C ATOM 53 O GLU A 4 60.374 1.016 17.430 1.00 1.00 O ATOM 54 CB GLU A 4 62.430 3.096 16.163 1.00 1.00 C ATOM 55 CG GLU A 4 63.039 2.402 17.383 1.00 1.00 C ATOM 56 CD GLU A 4 64.539 2.693 17.441 1.00 1.00 C ATOM 57 OE1 GLU A 4 64.929 3.775 17.033 1.00 1.00 O ATOM 58 OE2 GLU A 4 65.273 1.829 17.891 1.00 1.00 O ATOM 0 H GLU A 4 61.165 4.277 17.954 1.00 1.00 H new ATOM 0 HA GLU A 4 60.471 3.478 15.351 1.00 1.00 H new ATOM 0 HB2 GLU A 4 62.778 2.617 15.248 1.00 1.00 H new ATOM 0 HB3 GLU A 4 62.755 4.136 16.123 1.00 1.00 H new ATOM 0 HG2 GLU A 4 62.554 2.753 18.294 1.00 1.00 H new ATOM 0 HG3 GLU A 4 62.869 1.327 17.326 1.00 1.00 H new ATOM 65 N PRO A 5 60.181 0.930 15.236 1.00 1.00 N ATOM 66 CA PRO A 5 59.738 -0.489 15.201 1.00 1.00 C ATOM 67 C PRO A 5 60.376 -1.330 16.315 1.00 1.00 C ATOM 68 O PRO A 5 61.484 -1.809 16.180 1.00 1.00 O ATOM 69 CB PRO A 5 60.216 -0.953 13.828 1.00 1.00 C ATOM 70 CG PRO A 5 60.133 0.264 12.961 1.00 1.00 C ATOM 71 CD PRO A 5 60.263 1.489 13.877 1.00 1.00 C ATOM 0 HA PRO A 5 58.665 -0.596 15.358 1.00 1.00 H new ATOM 0 HB2 PRO A 5 61.235 -1.337 13.873 1.00 1.00 H new ATOM 0 HB3 PRO A 5 59.589 -1.757 13.442 1.00 1.00 H new ATOM 0 HG2 PRO A 5 60.926 0.258 12.213 1.00 1.00 H new ATOM 0 HG3 PRO A 5 59.186 0.287 12.421 1.00 1.00 H new ATOM 0 HD2 PRO A 5 61.207 2.009 13.716 1.00 1.00 H new ATOM 0 HD3 PRO A 5 59.467 2.210 13.694 1.00 1.00 H new ATOM 79 N PRO A 6 59.680 -1.504 17.411 1.00 1.00 N ATOM 80 CA PRO A 6 60.180 -2.290 18.567 1.00 1.00 C ATOM 81 C PRO A 6 59.854 -3.782 18.442 1.00 1.00 C ATOM 82 O PRO A 6 58.789 -4.159 17.995 1.00 1.00 O ATOM 83 CB PRO A 6 59.428 -1.674 19.744 1.00 1.00 C ATOM 84 CG PRO A 6 58.121 -1.222 19.175 1.00 1.00 C ATOM 85 CD PRO A 6 58.338 -0.964 17.678 1.00 1.00 C ATOM 0 HA PRO A 6 61.265 -2.248 18.660 1.00 1.00 H new ATOM 0 HB2 PRO A 6 59.280 -2.401 20.542 1.00 1.00 H new ATOM 0 HB3 PRO A 6 59.982 -0.839 20.172 1.00 1.00 H new ATOM 0 HG2 PRO A 6 57.353 -1.981 19.327 1.00 1.00 H new ATOM 0 HG3 PRO A 6 57.777 -0.316 19.675 1.00 1.00 H new ATOM 0 HD2 PRO A 6 57.580 -1.463 17.074 1.00 1.00 H new ATOM 0 HD3 PRO A 6 58.283 0.099 17.445 1.00 1.00 H new ATOM 93 N LYS A 7 60.760 -4.631 18.841 1.00 1.00 N ATOM 94 CA LYS A 7 60.501 -6.095 18.752 1.00 1.00 C ATOM 95 C LYS A 7 60.290 -6.488 17.286 1.00 1.00 C ATOM 96 O LYS A 7 59.515 -5.880 16.575 1.00 1.00 O ATOM 97 CB LYS A 7 59.244 -6.438 19.570 1.00 1.00 C ATOM 98 CG LYS A 7 59.558 -7.582 20.536 1.00 1.00 C ATOM 99 CD LYS A 7 59.797 -8.869 19.743 1.00 1.00 C ATOM 100 CE LYS A 7 60.884 -9.698 20.431 1.00 1.00 C ATOM 101 NZ LYS A 7 60.637 -9.720 21.900 1.00 1.00 N ATOM 0 H LYS A 7 61.669 -4.374 19.225 1.00 1.00 H new ATOM 0 HA LYS A 7 61.354 -6.645 19.151 1.00 1.00 H new ATOM 0 HB2 LYS A 7 58.908 -5.562 20.125 1.00 1.00 H new ATOM 0 HB3 LYS A 7 58.431 -6.724 18.903 1.00 1.00 H new ATOM 0 HG2 LYS A 7 60.439 -7.339 21.130 1.00 1.00 H new ATOM 0 HG3 LYS A 7 58.732 -7.720 21.234 1.00 1.00 H new ATOM 0 HD2 LYS A 7 58.874 -9.444 19.676 1.00 1.00 H new ATOM 0 HD3 LYS A 7 60.098 -8.630 18.723 1.00 1.00 H new ATOM 0 HE2 LYS A 7 60.886 -10.714 20.037 1.00 1.00 H new ATOM 0 HE3 LYS A 7 61.866 -9.274 20.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 60.964 -10.625 22.293 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 61.155 -8.939 22.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 59.619 -9.611 22.083 1.00 1.00 H new ATOM 115 N ALA A 8 60.974 -7.501 16.831 1.00 1.00 N ATOM 116 CA ALA A 8 60.811 -7.931 15.415 1.00 1.00 C ATOM 117 C ALA A 8 59.321 -8.075 15.095 1.00 1.00 C ATOM 118 O ALA A 8 58.716 -9.096 15.354 1.00 1.00 O ATOM 119 CB ALA A 8 61.511 -9.276 15.207 1.00 1.00 C ATOM 0 H ALA A 8 61.638 -8.049 17.378 1.00 1.00 H new ATOM 0 HA ALA A 8 61.254 -7.186 14.755 1.00 1.00 H new ATOM 0 HB1 ALA A 8 61.392 -9.592 14.170 1.00 1.00 H new ATOM 0 HB2 ALA A 8 62.572 -9.173 15.436 1.00 1.00 H new ATOM 0 HB3 ALA A 8 61.068 -10.022 15.867 1.00 1.00 H new ATOM 125 N GLU A 9 58.726 -7.058 14.532 1.00 1.00 N ATOM 126 CA GLU A 9 57.277 -7.135 14.193 1.00 1.00 C ATOM 127 C GLU A 9 57.084 -8.098 13.022 1.00 1.00 C ATOM 128 O GLU A 9 56.633 -7.715 11.961 1.00 1.00 O ATOM 129 CB GLU A 9 56.776 -5.745 13.794 1.00 1.00 C ATOM 130 CG GLU A 9 55.247 -5.718 13.848 1.00 1.00 C ATOM 131 CD GLU A 9 54.787 -5.736 15.307 1.00 1.00 C ATOM 132 OE1 GLU A 9 55.027 -4.758 15.996 1.00 1.00 O ATOM 133 OE2 GLU A 9 54.203 -6.728 15.711 1.00 1.00 O ATOM 0 H GLU A 9 59.181 -6.177 14.292 1.00 1.00 H new ATOM 0 HA GLU A 9 56.716 -7.491 15.057 1.00 1.00 H new ATOM 0 HB2 GLU A 9 57.187 -4.992 14.466 1.00 1.00 H new ATOM 0 HB3 GLU A 9 57.119 -5.498 12.789 1.00 1.00 H new ATOM 0 HG2 GLU A 9 54.871 -4.826 13.348 1.00 1.00 H new ATOM 0 HG3 GLU A 9 54.839 -6.577 13.316 1.00 1.00 H new ATOM 140 N CYS A 10 57.428 -9.343 13.200 1.00 1.00 N ATOM 141 CA CYS A 10 57.271 -10.319 12.087 1.00 1.00 C ATOM 142 C CYS A 10 58.013 -9.795 10.854 1.00 1.00 C ATOM 143 O CYS A 10 57.660 -10.088 9.729 1.00 1.00 O ATOM 144 CB CYS A 10 55.781 -10.493 11.765 1.00 1.00 C ATOM 145 SG CYS A 10 55.311 -12.225 12.000 1.00 1.00 S ATOM 0 HA CYS A 10 57.687 -11.284 12.379 1.00 1.00 H new ATOM 0 HB2 CYS A 10 55.181 -9.852 12.411 1.00 1.00 H new ATOM 0 HB3 CYS A 10 55.582 -10.187 10.738 1.00 1.00 H new ATOM 150 N ARG A 11 59.045 -9.021 11.063 1.00 1.00 N ATOM 151 CA ARG A 11 59.824 -8.472 9.915 1.00 1.00 C ATOM 152 C ARG A 11 59.045 -7.315 9.274 1.00 1.00 C ATOM 153 O ARG A 11 59.331 -6.158 9.512 1.00 1.00 O ATOM 154 CB ARG A 11 60.071 -9.588 8.883 1.00 1.00 C ATOM 155 CG ARG A 11 61.491 -9.466 8.327 1.00 1.00 C ATOM 156 CD ARG A 11 61.597 -8.203 7.469 1.00 1.00 C ATOM 157 NE ARG A 11 60.689 -8.323 6.294 1.00 1.00 N ATOM 158 CZ ARG A 11 60.900 -7.599 5.229 1.00 1.00 C ATOM 159 NH1 ARG A 11 61.908 -6.770 5.193 1.00 1.00 N ATOM 160 NH2 ARG A 11 60.105 -7.705 4.200 1.00 1.00 N ATOM 0 H ARG A 11 59.383 -8.744 11.985 1.00 1.00 H new ATOM 0 HA ARG A 11 60.785 -8.097 10.267 1.00 1.00 H new ATOM 0 HB2 ARG A 11 59.934 -10.564 9.348 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.345 -9.516 8.073 1.00 1.00 H new ATOM 0 HG2 ARG A 11 62.211 -9.424 9.145 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.736 -10.345 7.731 1.00 1.00 H new ATOM 0 HD2 ARG A 11 61.331 -7.326 8.059 1.00 1.00 H new ATOM 0 HD3 ARG A 11 62.625 -8.063 7.135 1.00 1.00 H new ATOM 0 HE ARG A 11 59.902 -8.971 6.322 1.00 1.00 H new ATOM 0 HH11 ARG A 11 62.530 -6.688 5.997 1.00 1.00 H new ATOM 0 HH12 ARG A 11 62.073 -6.204 4.361 1.00 1.00 H new ATOM 0 HH21 ARG A 11 59.318 -8.354 4.228 1.00 1.00 H new ATOM 0 HH22 ARG A 11 60.270 -7.139 3.368 1.00 1.00 H new ATOM 174 N SER A 12 58.064 -7.614 8.466 1.00 1.00 N ATOM 175 CA SER A 12 57.273 -6.528 7.817 1.00 1.00 C ATOM 176 C SER A 12 56.003 -7.124 7.205 1.00 1.00 C ATOM 177 O SER A 12 55.889 -8.322 7.036 1.00 1.00 O ATOM 178 CB SER A 12 58.110 -5.869 6.719 1.00 1.00 C ATOM 179 OG SER A 12 59.428 -5.647 7.202 1.00 1.00 O ATOM 0 H SER A 12 57.776 -8.563 8.227 1.00 1.00 H new ATOM 0 HA SER A 12 57.003 -5.779 8.562 1.00 1.00 H new ATOM 0 HB2 SER A 12 58.137 -6.506 5.835 1.00 1.00 H new ATOM 0 HB3 SER A 12 57.657 -4.924 6.418 1.00 1.00 H new ATOM 0 HG SER A 12 59.390 -5.368 8.141 1.00 1.00 H new ATOM 185 N ALA A 13 55.046 -6.300 6.872 1.00 1.00 N ATOM 186 CA ALA A 13 53.786 -6.828 6.275 1.00 1.00 C ATOM 187 C ALA A 13 52.850 -5.664 5.941 1.00 1.00 C ATOM 188 O ALA A 13 52.657 -5.319 4.792 1.00 1.00 O ATOM 189 CB ALA A 13 53.103 -7.761 7.279 1.00 1.00 C ATOM 0 H ALA A 13 55.082 -5.287 6.987 1.00 1.00 H new ATOM 0 HA ALA A 13 54.017 -7.378 5.363 1.00 1.00 H new ATOM 0 HB1 ALA A 13 52.181 -8.149 6.846 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.769 -8.590 7.517 1.00 1.00 H new ATOM 0 HB3 ALA A 13 52.872 -7.209 8.190 1.00 1.00 H new ATOM 195 N THR A 14 52.265 -5.060 6.941 1.00 1.00 N ATOM 196 CA THR A 14 51.336 -3.918 6.697 1.00 1.00 C ATOM 197 C THR A 14 52.039 -2.607 7.052 1.00 1.00 C ATOM 198 O THR A 14 51.487 -1.757 7.723 1.00 1.00 O ATOM 199 CB THR A 14 50.093 -4.080 7.575 1.00 1.00 C ATOM 200 OG1 THR A 14 50.379 -3.617 8.887 1.00 1.00 O ATOM 201 CG2 THR A 14 49.692 -5.555 7.628 1.00 1.00 C ATOM 0 H THR A 14 52.391 -5.310 7.922 1.00 1.00 H new ATOM 0 HA THR A 14 51.044 -3.903 5.647 1.00 1.00 H new ATOM 0 HB THR A 14 49.272 -3.498 7.155 1.00 1.00 H new ATOM 0 HG1 THR A 14 50.524 -2.648 8.868 1.00 1.00 H new ATOM 0 HG21 THR A 14 48.807 -5.669 8.254 1.00 1.00 H new ATOM 0 HG22 THR A 14 49.473 -5.909 6.621 1.00 1.00 H new ATOM 0 HG23 THR A 14 50.511 -6.140 8.048 1.00 1.00 H new ATOM 209 N ARG A 15 53.255 -2.436 6.610 1.00 1.00 N ATOM 210 CA ARG A 15 53.993 -1.182 6.926 1.00 1.00 C ATOM 211 C ARG A 15 55.300 -1.144 6.131 1.00 1.00 C ATOM 212 O ARG A 15 56.285 -1.747 6.507 1.00 1.00 O ATOM 213 CB ARG A 15 54.302 -1.136 8.426 1.00 1.00 C ATOM 214 CG ARG A 15 55.107 -2.375 8.823 1.00 1.00 C ATOM 215 CD ARG A 15 54.750 -2.779 10.255 1.00 1.00 C ATOM 216 NE ARG A 15 54.945 -1.614 11.163 1.00 1.00 N ATOM 217 CZ ARG A 15 56.133 -1.342 11.629 1.00 1.00 C ATOM 218 NH1 ARG A 15 57.151 -2.091 11.299 1.00 1.00 N ATOM 219 NH2 ARG A 15 56.305 -0.322 12.425 1.00 1.00 N ATOM 0 H ARG A 15 53.769 -3.111 6.044 1.00 1.00 H new ATOM 0 HA ARG A 15 53.381 -0.322 6.656 1.00 1.00 H new ATOM 0 HB2 ARG A 15 54.864 -0.233 8.664 1.00 1.00 H new ATOM 0 HB3 ARG A 15 53.375 -1.094 8.997 1.00 1.00 H new ATOM 0 HG2 ARG A 15 54.893 -3.196 8.138 1.00 1.00 H new ATOM 0 HG3 ARG A 15 56.174 -2.168 8.748 1.00 1.00 H new ATOM 0 HD2 ARG A 15 53.716 -3.120 10.301 1.00 1.00 H new ATOM 0 HD3 ARG A 15 55.375 -3.612 10.576 1.00 1.00 H new ATOM 0 HE ARG A 15 54.150 -1.029 11.420 1.00 1.00 H new ATOM 0 HH11 ARG A 15 57.017 -2.888 10.677 1.00 1.00 H new ATOM 0 HH12 ARG A 15 58.080 -1.879 11.663 1.00 1.00 H new ATOM 0 HH21 ARG A 15 55.510 0.263 12.683 1.00 1.00 H new ATOM 0 HH22 ARG A 15 57.234 -0.110 12.789 1.00 1.00 H new ATOM 233 N VAL A 16 55.316 -0.440 5.033 1.00 1.00 N ATOM 234 CA VAL A 16 56.557 -0.361 4.212 1.00 1.00 C ATOM 235 C VAL A 16 57.327 0.908 4.579 1.00 1.00 C ATOM 236 O VAL A 16 57.575 1.755 3.745 1.00 1.00 O ATOM 237 CB VAL A 16 56.182 -0.321 2.730 1.00 1.00 C ATOM 238 CG1 VAL A 16 55.730 -1.711 2.279 1.00 1.00 C ATOM 239 CG2 VAL A 16 55.042 0.678 2.521 1.00 1.00 C ATOM 0 H VAL A 16 54.521 0.085 4.668 1.00 1.00 H new ATOM 0 HA VAL A 16 57.181 -1.233 4.406 1.00 1.00 H new ATOM 0 HB VAL A 16 57.048 -0.014 2.144 1.00 1.00 H new ATOM 0 HG11 VAL A 16 55.463 -1.682 1.223 1.00 1.00 H new ATOM 0 HG12 VAL A 16 56.541 -2.424 2.429 1.00 1.00 H new ATOM 0 HG13 VAL A 16 54.864 -2.019 2.864 1.00 1.00 H new ATOM 0 HG21 VAL A 16 54.773 0.708 1.465 1.00 1.00 H new ATOM 0 HG22 VAL A 16 54.176 0.370 3.107 1.00 1.00 H new ATOM 0 HG23 VAL A 16 55.363 1.669 2.842 1.00 1.00 H new ATOM 249 N MET A 17 57.705 1.045 5.822 1.00 1.00 N ATOM 250 CA MET A 17 58.457 2.260 6.250 1.00 1.00 C ATOM 251 C MET A 17 57.599 3.505 6.010 1.00 1.00 C ATOM 252 O MET A 17 56.958 3.640 4.988 1.00 1.00 O ATOM 253 CB MET A 17 59.757 2.371 5.447 1.00 1.00 C ATOM 254 CG MET A 17 60.450 1.008 5.405 1.00 1.00 C ATOM 255 SD MET A 17 62.202 1.233 5.012 1.00 1.00 S ATOM 256 CE MET A 17 62.043 1.154 3.211 1.00 1.00 C ATOM 0 H MET A 17 57.525 0.366 6.561 1.00 1.00 H new ATOM 0 HA MET A 17 58.694 2.182 7.311 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.543 2.713 4.434 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.415 3.111 5.901 1.00 1.00 H new ATOM 0 HG2 MET A 17 60.344 0.504 6.366 1.00 1.00 H new ATOM 0 HG3 MET A 17 59.978 0.371 4.657 1.00 1.00 H new ATOM 0 HE1 MET A 17 63.025 1.273 2.753 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.623 0.190 2.925 1.00 1.00 H new ATOM 0 HE3 MET A 17 61.384 1.952 2.869 1.00 1.00 H new ATOM 266 N GLY A 18 57.580 4.415 6.947 1.00 1.00 N ATOM 267 CA GLY A 18 56.760 5.647 6.769 1.00 1.00 C ATOM 268 C GLY A 18 56.731 6.439 8.078 1.00 1.00 C ATOM 269 O GLY A 18 57.682 6.442 8.834 1.00 1.00 O ATOM 0 H GLY A 18 58.095 4.358 7.825 1.00 1.00 H new ATOM 0 HA2 GLY A 18 57.176 6.261 5.970 1.00 1.00 H new ATOM 0 HA3 GLY A 18 55.746 5.381 6.471 1.00 1.00 H new ATOM 273 N GLY A 19 55.647 7.112 8.350 1.00 1.00 N ATOM 274 CA GLY A 19 55.558 7.905 9.608 1.00 1.00 C ATOM 275 C GLY A 19 56.794 8.798 9.736 1.00 1.00 C ATOM 276 O GLY A 19 57.574 8.926 8.813 1.00 1.00 O ATOM 0 H GLY A 19 54.819 7.147 7.755 1.00 1.00 H new ATOM 0 HA2 GLY A 19 54.654 8.515 9.603 1.00 1.00 H new ATOM 0 HA3 GLY A 19 55.488 7.238 10.467 1.00 1.00 H new ATOM 280 N PRO A 20 56.968 9.412 10.876 1.00 1.00 N ATOM 281 CA PRO A 20 58.128 10.312 11.140 1.00 1.00 C ATOM 282 C PRO A 20 59.458 9.689 10.699 1.00 1.00 C ATOM 283 O PRO A 20 60.041 8.888 11.403 1.00 1.00 O ATOM 284 CB PRO A 20 58.095 10.501 12.660 1.00 1.00 C ATOM 285 CG PRO A 20 56.667 10.306 13.046 1.00 1.00 C ATOM 286 CD PRO A 20 56.073 9.316 12.041 1.00 1.00 C ATOM 0 HA PRO A 20 58.056 11.247 10.584 1.00 1.00 H new ATOM 0 HB2 PRO A 20 58.741 9.780 13.161 1.00 1.00 H new ATOM 0 HB3 PRO A 20 58.447 11.493 12.941 1.00 1.00 H new ATOM 0 HG2 PRO A 20 56.590 9.920 14.062 1.00 1.00 H new ATOM 0 HG3 PRO A 20 56.127 11.252 13.023 1.00 1.00 H new ATOM 0 HD2 PRO A 20 56.050 8.304 12.444 1.00 1.00 H new ATOM 0 HD3 PRO A 20 55.048 9.579 11.780 1.00 1.00 H new ATOM 294 N CYS A 21 59.939 10.049 9.537 1.00 1.00 N ATOM 295 CA CYS A 21 61.227 9.480 9.047 1.00 1.00 C ATOM 296 C CYS A 21 62.068 10.591 8.414 1.00 1.00 C ATOM 297 O CYS A 21 61.878 10.948 7.268 1.00 1.00 O ATOM 298 CB CYS A 21 60.942 8.399 8.001 1.00 1.00 C ATOM 299 SG CYS A 21 62.455 7.460 7.676 1.00 1.00 S ATOM 0 H CYS A 21 59.493 10.714 8.906 1.00 1.00 H new ATOM 0 HA CYS A 21 61.772 9.043 9.884 1.00 1.00 H new ATOM 0 HB2 CYS A 21 60.157 7.732 8.356 1.00 1.00 H new ATOM 0 HB3 CYS A 21 60.580 8.856 7.080 1.00 1.00 H new ATOM 304 N THR A 22 62.997 11.140 9.152 1.00 1.00 N ATOM 305 CA THR A 22 63.855 12.230 8.598 1.00 1.00 C ATOM 306 C THR A 22 65.299 11.722 8.461 1.00 1.00 C ATOM 307 O THR A 22 65.917 11.347 9.438 1.00 1.00 O ATOM 308 CB THR A 22 63.827 13.426 9.554 1.00 1.00 C ATOM 309 OG1 THR A 22 64.625 14.474 9.022 1.00 1.00 O ATOM 310 CG2 THR A 22 64.377 13.005 10.918 1.00 1.00 C ATOM 0 H THR A 22 63.199 10.880 10.117 1.00 1.00 H new ATOM 0 HA THR A 22 63.480 12.532 7.620 1.00 1.00 H new ATOM 0 HB THR A 22 62.801 13.774 9.671 1.00 1.00 H new ATOM 0 HG1 THR A 22 64.607 15.241 9.632 1.00 1.00 H new ATOM 0 HG21 THR A 22 64.357 13.857 11.597 1.00 1.00 H new ATOM 0 HG22 THR A 22 63.764 12.201 11.325 1.00 1.00 H new ATOM 0 HG23 THR A 22 65.403 12.656 10.805 1.00 1.00 H new ATOM 318 N PRO A 23 65.842 11.707 7.265 1.00 1.00 N ATOM 319 CA PRO A 23 67.237 11.233 7.030 1.00 1.00 C ATOM 320 C PRO A 23 68.215 11.762 8.085 1.00 1.00 C ATOM 321 O PRO A 23 68.163 12.912 8.472 1.00 1.00 O ATOM 322 CB PRO A 23 67.576 11.797 5.649 1.00 1.00 C ATOM 323 CG PRO A 23 66.264 11.890 4.941 1.00 1.00 C ATOM 324 CD PRO A 23 65.196 12.136 6.013 1.00 1.00 C ATOM 0 HA PRO A 23 67.316 10.148 7.090 1.00 1.00 H new ATOM 0 HB2 PRO A 23 68.053 12.774 5.727 1.00 1.00 H new ATOM 0 HB3 PRO A 23 68.268 11.146 5.115 1.00 1.00 H new ATOM 0 HG2 PRO A 23 66.275 12.701 4.213 1.00 1.00 H new ATOM 0 HG3 PRO A 23 66.056 10.972 4.392 1.00 1.00 H new ATOM 0 HD2 PRO A 23 64.905 13.186 6.053 1.00 1.00 H new ATOM 0 HD3 PRO A 23 64.291 11.562 5.814 1.00 1.00 H new ATOM 332 N ARG A 24 69.105 10.930 8.553 1.00 1.00 N ATOM 333 CA ARG A 24 70.082 11.388 9.581 1.00 1.00 C ATOM 334 C ARG A 24 71.178 12.219 8.911 1.00 1.00 C ATOM 335 O ARG A 24 71.289 12.258 7.702 1.00 1.00 O ATOM 336 CB ARG A 24 70.709 10.171 10.268 1.00 1.00 C ATOM 337 CG ARG A 24 69.621 9.141 10.578 1.00 1.00 C ATOM 338 CD ARG A 24 70.103 8.208 11.691 1.00 1.00 C ATOM 339 NE ARG A 24 71.571 7.994 11.558 1.00 1.00 N ATOM 340 CZ ARG A 24 72.026 7.070 10.756 1.00 1.00 C ATOM 341 NH1 ARG A 24 71.195 6.334 10.071 1.00 1.00 N ATOM 342 NH2 ARG A 24 73.312 6.882 10.640 1.00 1.00 N ATOM 0 H ARG A 24 69.198 9.955 8.269 1.00 1.00 H new ATOM 0 HA ARG A 24 69.568 11.999 10.323 1.00 1.00 H new ATOM 0 HB2 ARG A 24 71.470 9.729 9.625 1.00 1.00 H new ATOM 0 HB3 ARG A 24 71.208 10.477 11.188 1.00 1.00 H new ATOM 0 HG2 ARG A 24 68.704 9.645 10.883 1.00 1.00 H new ATOM 0 HG3 ARG A 24 69.385 8.565 9.683 1.00 1.00 H new ATOM 0 HD2 ARG A 24 69.874 8.639 12.666 1.00 1.00 H new ATOM 0 HD3 ARG A 24 69.579 7.254 11.633 1.00 1.00 H new ATOM 0 HE ARG A 24 72.221 8.570 12.094 1.00 1.00 H new ATOM 0 HH11 ARG A 24 70.190 6.481 10.162 1.00 1.00 H new ATOM 0 HH12 ARG A 24 71.551 5.612 9.444 1.00 1.00 H new ATOM 0 HH21 ARG A 24 73.962 7.457 11.176 1.00 1.00 H new ATOM 0 HH22 ARG A 24 73.667 6.160 10.013 1.00 1.00 H new ATOM 356 N LYS A 25 71.989 12.884 9.688 1.00 1.00 N ATOM 357 CA LYS A 25 73.077 13.712 9.097 1.00 1.00 C ATOM 358 C LYS A 25 72.471 14.739 8.136 1.00 1.00 C ATOM 359 O LYS A 25 71.335 14.621 7.722 1.00 1.00 O ATOM 360 CB LYS A 25 74.052 12.810 8.336 1.00 1.00 C ATOM 361 CG LYS A 25 74.357 11.567 9.174 1.00 1.00 C ATOM 362 CD LYS A 25 74.869 11.992 10.552 1.00 1.00 C ATOM 363 CE LYS A 25 75.543 10.801 11.236 1.00 1.00 C ATOM 364 NZ LYS A 25 76.823 10.488 10.541 1.00 1.00 N ATOM 0 H LYS A 25 71.945 12.889 10.707 1.00 1.00 H new ATOM 0 HA LYS A 25 73.612 14.231 9.893 1.00 1.00 H new ATOM 0 HB2 LYS A 25 73.622 12.519 7.377 1.00 1.00 H new ATOM 0 HB3 LYS A 25 74.973 13.352 8.121 1.00 1.00 H new ATOM 0 HG2 LYS A 25 73.459 10.958 9.280 1.00 1.00 H new ATOM 0 HG3 LYS A 25 75.103 10.951 8.672 1.00 1.00 H new ATOM 0 HD2 LYS A 25 75.577 12.815 10.451 1.00 1.00 H new ATOM 0 HD3 LYS A 25 74.042 12.356 11.163 1.00 1.00 H new ATOM 0 HE2 LYS A 25 75.733 11.030 12.285 1.00 1.00 H new ATOM 0 HE3 LYS A 25 74.883 9.934 11.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 77.474 10.022 11.205 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 76.636 9.855 9.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 77.254 11.369 10.195 1.00 1.00 H new ATOM 378 N GLY A 26 73.221 15.747 7.782 1.00 1.00 N ATOM 379 CA GLY A 26 72.689 16.786 6.852 1.00 1.00 C ATOM 380 C GLY A 26 73.004 16.392 5.405 1.00 1.00 C ATOM 381 O GLY A 26 73.201 15.233 5.100 1.00 1.00 O ATOM 0 H GLY A 26 74.180 15.897 8.096 1.00 1.00 H new ATOM 0 HA2 GLY A 26 71.612 16.890 6.985 1.00 1.00 H new ATOM 0 HA3 GLY A 26 73.133 17.755 7.081 1.00 1.00 H new ATOM 385 N PRO A 27 73.049 17.355 4.520 1.00 1.00 N ATOM 386 CA PRO A 27 73.344 17.110 3.076 1.00 1.00 C ATOM 387 C PRO A 27 74.640 16.309 2.892 1.00 1.00 C ATOM 388 O PRO A 27 75.277 15.928 3.854 1.00 1.00 O ATOM 389 CB PRO A 27 73.475 18.520 2.481 1.00 1.00 C ATOM 390 CG PRO A 27 72.738 19.421 3.416 1.00 1.00 C ATOM 391 CD PRO A 27 72.822 18.781 4.803 1.00 1.00 C ATOM 0 HA PRO A 27 72.569 16.517 2.590 1.00 1.00 H new ATOM 0 HB2 PRO A 27 74.521 18.814 2.397 1.00 1.00 H new ATOM 0 HB3 PRO A 27 73.050 18.563 1.478 1.00 1.00 H new ATOM 0 HG2 PRO A 27 73.180 20.417 3.422 1.00 1.00 H new ATOM 0 HG3 PRO A 27 71.700 19.535 3.105 1.00 1.00 H new ATOM 0 HD2 PRO A 27 73.635 19.206 5.391 1.00 1.00 H new ATOM 0 HD3 PRO A 27 71.904 18.935 5.371 1.00 1.00 H new ATOM 399 N PRO A 28 75.027 16.047 1.668 1.00 1.00 N ATOM 400 CA PRO A 28 76.266 15.269 1.369 1.00 1.00 C ATOM 401 C PRO A 28 77.492 15.834 2.091 1.00 1.00 C ATOM 402 O PRO A 28 77.605 17.025 2.305 1.00 1.00 O ATOM 403 CB PRO A 28 76.422 15.397 -0.151 1.00 1.00 C ATOM 404 CG PRO A 28 75.048 15.677 -0.663 1.00 1.00 C ATOM 405 CD PRO A 28 74.327 16.456 0.440 1.00 1.00 C ATOM 0 HA PRO A 28 76.189 14.236 1.708 1.00 1.00 H new ATOM 0 HB2 PRO A 28 77.110 16.202 -0.410 1.00 1.00 H new ATOM 0 HB3 PRO A 28 76.825 14.481 -0.584 1.00 1.00 H new ATOM 0 HG2 PRO A 28 75.088 16.256 -1.585 1.00 1.00 H new ATOM 0 HG3 PRO A 28 74.522 14.750 -0.891 1.00 1.00 H new ATOM 0 HD2 PRO A 28 74.394 17.532 0.280 1.00 1.00 H new ATOM 0 HD3 PRO A 28 73.267 16.205 0.480 1.00 1.00 H new ATOM 413 N LYS A 29 78.412 14.988 2.470 1.00 1.00 N ATOM 414 CA LYS A 29 79.628 15.475 3.179 1.00 1.00 C ATOM 415 C LYS A 29 80.816 14.575 2.836 1.00 1.00 C ATOM 416 O LYS A 29 81.341 13.874 3.678 1.00 1.00 O ATOM 417 CB LYS A 29 79.386 15.445 4.693 1.00 1.00 C ATOM 418 CG LYS A 29 78.834 14.078 5.101 1.00 1.00 C ATOM 419 CD LYS A 29 77.306 14.136 5.145 1.00 1.00 C ATOM 420 CE LYS A 29 76.757 12.801 5.652 1.00 1.00 C ATOM 421 NZ LYS A 29 77.217 12.575 7.052 1.00 1.00 N ATOM 0 H LYS A 29 78.373 13.980 2.319 1.00 1.00 H new ATOM 0 HA LYS A 29 79.844 16.496 2.865 1.00 1.00 H new ATOM 0 HB2 LYS A 29 80.317 15.645 5.224 1.00 1.00 H new ATOM 0 HB3 LYS A 29 78.684 16.230 4.974 1.00 1.00 H new ATOM 0 HG2 LYS A 29 79.159 13.317 4.392 1.00 1.00 H new ATOM 0 HG3 LYS A 29 79.226 13.793 6.077 1.00 1.00 H new ATOM 0 HD2 LYS A 29 76.981 14.946 5.798 1.00 1.00 H new ATOM 0 HD3 LYS A 29 76.911 14.350 4.152 1.00 1.00 H new ATOM 0 HE2 LYS A 29 75.668 12.804 5.612 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.097 11.988 5.010 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 76.632 11.839 7.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 78.211 12.270 7.046 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 77.130 13.459 7.593 1.00 1.00 H new ATOM 435 N CYS A 30 81.249 14.591 1.604 1.00 1.00 N ATOM 436 CA CYS A 30 82.406 13.739 1.208 1.00 1.00 C ATOM 437 C CYS A 30 83.528 13.896 2.237 1.00 1.00 C ATOM 438 O CYS A 30 84.255 14.869 2.232 1.00 1.00 O ATOM 439 CB CYS A 30 82.913 14.177 -0.168 1.00 1.00 C ATOM 440 SG CYS A 30 81.505 14.483 -1.263 1.00 1.00 S ATOM 0 H CYS A 30 80.851 15.158 0.855 1.00 1.00 H new ATOM 0 HA CYS A 30 82.093 12.696 1.166 1.00 1.00 H new ATOM 0 HB2 CYS A 30 83.517 15.080 -0.074 1.00 1.00 H new ATOM 0 HB3 CYS A 30 83.556 13.406 -0.592 1.00 1.00 H new ATOM 445 N LYS A 31 83.675 12.949 3.123 1.00 1.00 N ATOM 446 CA LYS A 31 84.749 13.053 4.150 1.00 1.00 C ATOM 447 C LYS A 31 86.094 12.679 3.524 1.00 1.00 C ATOM 448 O LYS A 31 86.899 13.529 3.198 1.00 1.00 O ATOM 449 CB LYS A 31 84.428 12.108 5.322 1.00 1.00 C ATOM 450 CG LYS A 31 84.781 12.793 6.644 1.00 1.00 C ATOM 451 CD LYS A 31 83.629 13.703 7.072 1.00 1.00 C ATOM 452 CE LYS A 31 84.095 14.619 8.205 1.00 1.00 C ATOM 453 NZ LYS A 31 84.713 13.799 9.285 1.00 1.00 N ATOM 0 H LYS A 31 83.099 12.109 3.180 1.00 1.00 H new ATOM 0 HA LYS A 31 84.805 14.076 4.522 1.00 1.00 H new ATOM 0 HB2 LYS A 31 83.371 11.842 5.309 1.00 1.00 H new ATOM 0 HB3 LYS A 31 84.991 11.180 5.219 1.00 1.00 H new ATOM 0 HG2 LYS A 31 84.972 12.045 7.413 1.00 1.00 H new ATOM 0 HG3 LYS A 31 85.695 13.375 6.531 1.00 1.00 H new ATOM 0 HD2 LYS A 31 83.289 14.299 6.225 1.00 1.00 H new ATOM 0 HD3 LYS A 31 82.781 13.103 7.401 1.00 1.00 H new ATOM 0 HE2 LYS A 31 84.815 15.345 7.827 1.00 1.00 H new ATOM 0 HE3 LYS A 31 83.251 15.184 8.601 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 84.720 14.342 10.172 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 84.162 12.927 9.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 85.689 13.555 9.021 1.00 1.00 H new ATOM 467 N GLN A 32 86.341 11.415 3.357 1.00 1.00 N ATOM 468 CA GLN A 32 87.632 10.973 2.754 1.00 1.00 C ATOM 469 C GLN A 32 87.430 9.638 2.031 1.00 1.00 C ATOM 470 O GLN A 32 87.687 8.583 2.575 1.00 1.00 O ATOM 471 CB GLN A 32 88.678 10.800 3.858 1.00 1.00 C ATOM 472 CG GLN A 32 90.060 10.618 3.228 1.00 1.00 C ATOM 473 CD GLN A 32 91.069 10.231 4.311 1.00 1.00 C ATOM 474 OE1 GLN A 32 90.660 10.078 5.541 1.00 1.00 O flip ATOM 475 NE2 GLN A 32 92.241 10.067 4.036 1.00 1.00 N flip ATOM 0 H GLN A 32 85.703 10.661 3.612 1.00 1.00 H new ATOM 0 HA GLN A 32 87.974 11.724 2.042 1.00 1.00 H new ATOM 0 HB2 GLN A 32 88.677 11.671 4.514 1.00 1.00 H new ATOM 0 HB3 GLN A 32 88.431 9.936 4.475 1.00 1.00 H new ATOM 0 HG2 GLN A 32 90.022 9.846 2.459 1.00 1.00 H new ATOM 0 HG3 GLN A 32 90.372 11.540 2.738 1.00 1.00 H new ATOM 0 HE21 GLN A 32 92.561 10.186 3.075 1.00 1.00 H new ATOM 0 HE22 GLN A 32 92.905 9.810 4.766 1.00 1.00 H new ATOM 484 N ARG A 33 86.975 9.678 0.809 1.00 1.00 N ATOM 485 CA ARG A 33 86.760 8.411 0.051 1.00 1.00 C ATOM 486 C ARG A 33 86.395 8.741 -1.398 1.00 1.00 C ATOM 487 O ARG A 33 85.241 8.737 -1.775 1.00 1.00 O ATOM 488 CB ARG A 33 85.630 7.604 0.700 1.00 1.00 C ATOM 489 CG ARG A 33 84.472 8.538 1.058 1.00 1.00 C ATOM 490 CD ARG A 33 83.424 7.767 1.863 1.00 1.00 C ATOM 491 NE ARG A 33 83.312 6.380 1.333 1.00 1.00 N ATOM 492 CZ ARG A 33 82.718 6.164 0.191 1.00 1.00 C ATOM 493 NH1 ARG A 33 82.223 7.164 -0.486 1.00 1.00 N ATOM 494 NH2 ARG A 33 82.619 4.949 -0.274 1.00 1.00 N ATOM 0 H ARG A 33 86.743 10.532 0.302 1.00 1.00 H new ATOM 0 HA ARG A 33 87.675 7.819 0.068 1.00 1.00 H new ATOM 0 HB2 ARG A 33 85.286 6.827 0.017 1.00 1.00 H new ATOM 0 HB3 ARG A 33 85.996 7.102 1.596 1.00 1.00 H new ATOM 0 HG2 ARG A 33 84.840 9.385 1.637 1.00 1.00 H new ATOM 0 HG3 ARG A 33 84.024 8.943 0.151 1.00 1.00 H new ATOM 0 HD2 ARG A 33 83.704 7.744 2.916 1.00 1.00 H new ATOM 0 HD3 ARG A 33 82.459 8.271 1.801 1.00 1.00 H new ATOM 0 HE ARG A 33 83.699 5.599 1.862 1.00 1.00 H new ATOM 0 HH11 ARG A 33 82.300 8.114 -0.123 1.00 1.00 H new ATOM 0 HH12 ARG A 33 81.759 6.996 -1.378 1.00 1.00 H new ATOM 508 N GLN A 34 87.373 9.028 -2.214 1.00 1.00 N ATOM 509 CA GLN A 34 87.084 9.360 -3.638 1.00 1.00 C ATOM 510 C GLN A 34 85.930 10.363 -3.703 1.00 1.00 C ATOM 511 O GLN A 34 84.773 9.993 -3.717 1.00 1.00 O ATOM 512 CB GLN A 34 86.699 8.087 -4.394 1.00 1.00 C ATOM 513 CG GLN A 34 87.866 7.098 -4.358 1.00 1.00 C ATOM 514 CD GLN A 34 87.982 6.497 -2.956 1.00 1.00 C ATOM 515 OE1 GLN A 34 88.934 6.904 -2.162 1.00 1.00 O flip ATOM 516 NE2 GLN A 34 87.199 5.647 -2.580 1.00 1.00 N flip ATOM 0 H GLN A 34 88.360 9.047 -1.956 1.00 1.00 H new ATOM 0 HA GLN A 34 87.972 9.797 -4.096 1.00 1.00 H new ATOM 0 HB2 GLN A 34 85.814 7.638 -3.944 1.00 1.00 H new ATOM 0 HB3 GLN A 34 86.444 8.328 -5.426 1.00 1.00 H new ATOM 0 HG2 GLN A 34 87.710 6.308 -5.092 1.00 1.00 H new ATOM 0 HG3 GLN A 34 88.794 7.604 -4.626 1.00 1.00 H new ATOM 0 HE21 GLN A 34 86.455 5.329 -3.201 1.00 1.00 H new ATOM 0 HE22 GLN A 34 87.286 5.252 -1.644 1.00 1.00 H new ATOM 525 N THR A 35 86.237 11.630 -3.741 1.00 1.00 N ATOM 526 CA THR A 35 85.160 12.657 -3.801 1.00 1.00 C ATOM 527 C THR A 35 84.495 12.624 -5.179 1.00 1.00 C ATOM 528 O THR A 35 83.324 12.918 -5.320 1.00 1.00 O ATOM 529 CB THR A 35 85.767 14.041 -3.560 1.00 1.00 C ATOM 530 OG1 THR A 35 84.747 15.025 -3.652 1.00 1.00 O ATOM 531 CG2 THR A 35 86.844 14.318 -4.611 1.00 1.00 C ATOM 0 H THR A 35 87.188 11.999 -3.733 1.00 1.00 H new ATOM 0 HA THR A 35 84.413 12.446 -3.035 1.00 1.00 H new ATOM 0 HB THR A 35 86.216 14.074 -2.567 1.00 1.00 H new ATOM 0 HG1 THR A 35 85.133 15.912 -3.496 1.00 1.00 H new ATOM 0 HG21 THR A 35 87.276 15.304 -4.439 1.00 1.00 H new ATOM 0 HG22 THR A 35 87.626 13.562 -4.539 1.00 1.00 H new ATOM 0 HG23 THR A 35 86.399 14.286 -5.605 1.00 1.00 H new ATOM 539 N ARG A 36 85.230 12.270 -6.199 1.00 1.00 N ATOM 540 CA ARG A 36 84.637 12.219 -7.568 1.00 1.00 C ATOM 541 C ARG A 36 85.247 11.051 -8.345 1.00 1.00 C ATOM 542 O ARG A 36 84.849 10.760 -9.455 1.00 1.00 O ATOM 543 CB ARG A 36 84.941 13.529 -8.309 1.00 1.00 C ATOM 544 CG ARG A 36 83.904 14.588 -7.929 1.00 1.00 C ATOM 545 CD ARG A 36 83.938 15.726 -8.951 1.00 1.00 C ATOM 546 NE ARG A 36 83.684 15.178 -10.313 1.00 1.00 N ATOM 547 CZ ARG A 36 83.598 15.984 -11.335 1.00 1.00 C ATOM 548 NH1 ARG A 36 83.735 17.271 -11.165 1.00 1.00 N ATOM 549 NH2 ARG A 36 83.376 15.504 -12.528 1.00 1.00 N ATOM 0 H ARG A 36 86.216 12.014 -6.144 1.00 1.00 H new ATOM 0 HA ARG A 36 83.558 12.085 -7.488 1.00 1.00 H new ATOM 0 HB2 ARG A 36 85.942 13.878 -8.055 1.00 1.00 H new ATOM 0 HB3 ARG A 36 84.926 13.361 -9.386 1.00 1.00 H new ATOM 0 HG2 ARG A 36 82.909 14.143 -7.897 1.00 1.00 H new ATOM 0 HG3 ARG A 36 84.112 14.975 -6.931 1.00 1.00 H new ATOM 0 HD2 ARG A 36 83.186 16.475 -8.703 1.00 1.00 H new ATOM 0 HD3 ARG A 36 84.906 16.225 -8.923 1.00 1.00 H new ATOM 0 HE ARG A 36 83.577 14.172 -10.446 1.00 1.00 H new ATOM 0 HH11 ARG A 36 83.909 17.647 -10.233 1.00 1.00 H new ATOM 0 HH12 ARG A 36 83.668 17.901 -11.964 1.00 1.00 H new ATOM 0 HH21 ARG A 36 83.270 14.498 -12.661 1.00 1.00 H new ATOM 0 HH22 ARG A 36 83.309 16.134 -13.327 1.00 1.00 H new ATOM 563 N GLN A 37 86.212 10.381 -7.779 1.00 1.00 N ATOM 564 CA GLN A 37 86.843 9.238 -8.497 1.00 1.00 C ATOM 565 C GLN A 37 85.824 8.103 -8.647 1.00 1.00 C ATOM 566 O GLN A 37 85.492 7.423 -7.696 1.00 1.00 O ATOM 567 CB GLN A 37 88.064 8.748 -7.703 1.00 1.00 C ATOM 568 CG GLN A 37 89.313 8.835 -8.582 1.00 1.00 C ATOM 569 CD GLN A 37 89.188 7.850 -9.746 1.00 1.00 C ATOM 570 OE1 GLN A 37 88.648 8.247 -10.866 1.00 1.00 O flip ATOM 571 NE2 GLN A 37 89.585 6.707 -9.636 1.00 1.00 N flip ATOM 0 H GLN A 37 86.591 10.575 -6.852 1.00 1.00 H new ATOM 0 HA GLN A 37 87.166 9.559 -9.487 1.00 1.00 H new ATOM 0 HB2 GLN A 37 88.195 9.354 -6.806 1.00 1.00 H new ATOM 0 HB3 GLN A 37 87.909 7.720 -7.374 1.00 1.00 H new ATOM 0 HG2 GLN A 37 89.433 9.850 -8.962 1.00 1.00 H new ATOM 0 HG3 GLN A 37 90.202 8.608 -7.993 1.00 1.00 H new ATOM 0 HE21 GLN A 37 90.007 6.396 -8.761 1.00 1.00 H new ATOM 0 HE22 GLN A 37 89.496 6.059 -10.418 1.00 1.00 H new ATOM 580 N CYS A 38 85.327 7.894 -9.836 1.00 1.00 N ATOM 581 CA CYS A 38 84.332 6.805 -10.051 1.00 1.00 C ATOM 582 C CYS A 38 84.166 6.557 -11.552 1.00 1.00 C ATOM 583 O CYS A 38 83.067 6.545 -12.072 1.00 1.00 O ATOM 584 CB CYS A 38 82.987 7.215 -9.447 1.00 1.00 C ATOM 585 SG CYS A 38 82.034 5.732 -9.035 1.00 1.00 S ATOM 0 H CYS A 38 85.568 8.431 -10.669 1.00 1.00 H new ATOM 0 HA CYS A 38 84.681 5.892 -9.569 1.00 1.00 H new ATOM 0 HB2 CYS A 38 83.146 7.818 -8.553 1.00 1.00 H new ATOM 0 HB3 CYS A 38 82.432 7.832 -10.153 1.00 1.00 H new ATOM 590 N LYS A 39 85.249 6.364 -12.253 1.00 1.00 N ATOM 591 CA LYS A 39 85.160 6.123 -13.722 1.00 1.00 C ATOM 592 C LYS A 39 84.937 4.630 -13.985 1.00 1.00 C ATOM 593 O LYS A 39 83.818 4.172 -14.107 1.00 1.00 O ATOM 594 CB LYS A 39 86.465 6.572 -14.391 1.00 1.00 C ATOM 595 CG LYS A 39 86.413 8.077 -14.660 1.00 1.00 C ATOM 596 CD LYS A 39 86.449 8.835 -13.331 1.00 1.00 C ATOM 597 CE LYS A 39 85.099 9.514 -13.093 1.00 1.00 C ATOM 598 NZ LYS A 39 85.041 10.027 -11.695 1.00 1.00 N ATOM 0 H LYS A 39 86.195 6.363 -11.871 1.00 1.00 H new ATOM 0 HA LYS A 39 84.325 6.690 -14.134 1.00 1.00 H new ATOM 0 HB2 LYS A 39 87.314 6.336 -13.749 1.00 1.00 H new ATOM 0 HB3 LYS A 39 86.611 6.030 -15.325 1.00 1.00 H new ATOM 0 HG2 LYS A 39 87.256 8.375 -15.284 1.00 1.00 H new ATOM 0 HG3 LYS A 39 85.506 8.328 -15.209 1.00 1.00 H new ATOM 0 HD2 LYS A 39 86.671 8.148 -12.514 1.00 1.00 H new ATOM 0 HD3 LYS A 39 87.245 9.580 -13.347 1.00 1.00 H new ATOM 0 HE2 LYS A 39 84.963 10.334 -13.798 1.00 1.00 H new ATOM 0 HE3 LYS A 39 84.288 8.806 -13.266 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 84.259 9.565 -11.188 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 85.938 9.819 -11.212 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 84.885 11.055 -11.709 1.00 1.00 H new ATOM 612 N SER A 40 85.995 3.870 -14.081 1.00 1.00 N ATOM 613 CA SER A 40 85.844 2.409 -14.344 1.00 1.00 C ATOM 614 C SER A 40 85.819 1.643 -13.020 1.00 1.00 C ATOM 615 O SER A 40 86.442 2.033 -12.052 1.00 1.00 O ATOM 616 CB SER A 40 87.020 1.920 -15.190 1.00 1.00 C ATOM 617 OG SER A 40 86.765 0.592 -15.626 1.00 1.00 O ATOM 0 H SER A 40 86.957 4.197 -13.989 1.00 1.00 H new ATOM 0 HA SER A 40 84.910 2.236 -14.878 1.00 1.00 H new ATOM 0 HB2 SER A 40 87.162 2.576 -16.049 1.00 1.00 H new ATOM 0 HB3 SER A 40 87.941 1.953 -14.607 1.00 1.00 H new ATOM 0 HG SER A 40 87.516 0.276 -16.170 1.00 1.00 H new ATOM 623 N LYS A 41 85.103 0.552 -12.974 1.00 1.00 N ATOM 624 CA LYS A 41 85.034 -0.249 -11.718 1.00 1.00 C ATOM 625 C LYS A 41 84.881 -1.731 -12.073 1.00 1.00 C ATOM 626 O LYS A 41 83.788 -2.261 -12.086 1.00 1.00 O ATOM 627 CB LYS A 41 83.822 0.202 -10.895 1.00 1.00 C ATOM 628 CG LYS A 41 82.569 0.193 -11.773 1.00 1.00 C ATOM 629 CD LYS A 41 82.080 1.628 -11.981 1.00 1.00 C ATOM 630 CE LYS A 41 81.560 2.187 -10.656 1.00 1.00 C ATOM 631 NZ LYS A 41 82.470 3.266 -10.180 1.00 1.00 N ATOM 0 H LYS A 41 84.561 0.180 -13.754 1.00 1.00 H new ATOM 0 HA LYS A 41 85.945 -0.102 -11.138 1.00 1.00 H new ATOM 0 HB2 LYS A 41 83.684 -0.461 -10.041 1.00 1.00 H new ATOM 0 HB3 LYS A 41 83.992 1.203 -10.498 1.00 1.00 H new ATOM 0 HG2 LYS A 41 82.789 -0.270 -12.735 1.00 1.00 H new ATOM 0 HG3 LYS A 41 81.787 -0.404 -11.303 1.00 1.00 H new ATOM 0 HD2 LYS A 41 82.893 2.250 -12.356 1.00 1.00 H new ATOM 0 HD3 LYS A 41 81.290 1.649 -12.732 1.00 1.00 H new ATOM 0 HE2 LYS A 41 80.551 2.579 -10.785 1.00 1.00 H new ATOM 0 HE3 LYS A 41 81.501 1.392 -9.912 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 81.941 3.924 -9.573 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 83.252 2.847 -9.637 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 82.854 3.782 -10.997 1.00 1.00 H new ATOM 645 N PRO A 42 85.969 -2.397 -12.364 1.00 1.00 N ATOM 646 CA PRO A 42 85.953 -3.838 -12.730 1.00 1.00 C ATOM 647 C PRO A 42 85.955 -4.752 -11.494 1.00 1.00 C ATOM 648 O PRO A 42 86.459 -4.386 -10.450 1.00 1.00 O ATOM 649 CB PRO A 42 87.246 -4.002 -13.528 1.00 1.00 C ATOM 650 CG PRO A 42 88.186 -2.988 -12.960 1.00 1.00 C ATOM 651 CD PRO A 42 87.335 -1.851 -12.382 1.00 1.00 C ATOM 0 HA PRO A 42 85.056 -4.117 -13.282 1.00 1.00 H new ATOM 0 HB2 PRO A 42 87.646 -5.011 -13.427 1.00 1.00 H new ATOM 0 HB3 PRO A 42 87.077 -3.831 -14.591 1.00 1.00 H new ATOM 0 HG2 PRO A 42 88.809 -3.434 -12.185 1.00 1.00 H new ATOM 0 HG3 PRO A 42 88.857 -2.611 -13.732 1.00 1.00 H new ATOM 0 HD2 PRO A 42 87.667 -1.574 -11.381 1.00 1.00 H new ATOM 0 HD3 PRO A 42 87.397 -0.954 -12.998 1.00 1.00 H new ATOM 659 N PRO A 43 85.399 -5.933 -11.610 1.00 1.00 N ATOM 660 CA PRO A 43 85.340 -6.912 -10.485 1.00 1.00 C ATOM 661 C PRO A 43 86.655 -7.680 -10.308 1.00 1.00 C ATOM 662 O PRO A 43 87.181 -8.250 -11.243 1.00 1.00 O ATOM 663 CB PRO A 43 84.224 -7.863 -10.913 1.00 1.00 C ATOM 664 CG PRO A 43 84.280 -7.863 -12.405 1.00 1.00 C ATOM 665 CD PRO A 43 84.764 -6.470 -12.825 1.00 1.00 C ATOM 0 HA PRO A 43 85.166 -6.424 -9.526 1.00 1.00 H new ATOM 0 HB2 PRO A 43 84.380 -8.864 -10.511 1.00 1.00 H new ATOM 0 HB3 PRO A 43 83.253 -7.522 -10.553 1.00 1.00 H new ATOM 0 HG2 PRO A 43 84.959 -8.635 -12.767 1.00 1.00 H new ATOM 0 HG3 PRO A 43 83.299 -8.077 -12.830 1.00 1.00 H new ATOM 0 HD2 PRO A 43 85.470 -6.526 -13.653 1.00 1.00 H new ATOM 0 HD3 PRO A 43 83.936 -5.842 -13.154 1.00 1.00 H new ATOM 673 N LYS A 44 87.184 -7.708 -9.114 1.00 1.00 N ATOM 674 CA LYS A 44 88.457 -8.449 -8.879 1.00 1.00 C ATOM 675 C LYS A 44 88.133 -9.841 -8.332 1.00 1.00 C ATOM 676 O LYS A 44 88.798 -10.344 -7.448 1.00 1.00 O ATOM 677 CB LYS A 44 89.316 -7.684 -7.865 1.00 1.00 C ATOM 678 CG LYS A 44 90.706 -8.318 -7.786 1.00 1.00 C ATOM 679 CD LYS A 44 91.730 -7.254 -7.384 1.00 1.00 C ATOM 680 CE LYS A 44 92.244 -6.540 -8.636 1.00 1.00 C ATOM 681 NZ LYS A 44 92.922 -7.524 -9.526 1.00 1.00 N ATOM 0 H LYS A 44 86.790 -7.250 -8.292 1.00 1.00 H new ATOM 0 HA LYS A 44 89.006 -8.543 -9.816 1.00 1.00 H new ATOM 0 HB2 LYS A 44 89.399 -6.638 -8.160 1.00 1.00 H new ATOM 0 HB3 LYS A 44 88.841 -7.702 -6.884 1.00 1.00 H new ATOM 0 HG2 LYS A 44 90.706 -9.131 -7.060 1.00 1.00 H new ATOM 0 HG3 LYS A 44 90.975 -8.751 -8.749 1.00 1.00 H new ATOM 0 HD2 LYS A 44 91.274 -6.535 -6.704 1.00 1.00 H new ATOM 0 HD3 LYS A 44 92.560 -7.717 -6.850 1.00 1.00 H new ATOM 0 HE2 LYS A 44 91.416 -6.067 -9.164 1.00 1.00 H new ATOM 0 HE3 LYS A 44 92.938 -5.748 -8.357 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 93.694 -7.053 -10.040 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 93.311 -8.300 -8.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 92.235 -7.907 -10.207 1.00 1.00 H new ATOM 695 N LYS A 45 87.112 -10.467 -8.850 1.00 1.00 N ATOM 696 CA LYS A 45 86.743 -11.824 -8.360 1.00 1.00 C ATOM 697 C LYS A 45 86.636 -11.796 -6.835 1.00 1.00 C ATOM 698 O LYS A 45 87.239 -12.595 -6.145 1.00 1.00 O ATOM 699 CB LYS A 45 87.817 -12.834 -8.778 1.00 1.00 C ATOM 700 CG LYS A 45 87.765 -13.046 -10.292 1.00 1.00 C ATOM 701 CD LYS A 45 88.717 -12.065 -10.979 1.00 1.00 C ATOM 702 CE LYS A 45 88.459 -12.073 -12.487 1.00 1.00 C ATOM 703 NZ LYS A 45 88.313 -13.479 -12.958 1.00 1.00 N ATOM 0 H LYS A 45 86.518 -10.097 -9.592 1.00 1.00 H new ATOM 0 HA LYS A 45 85.786 -12.119 -8.791 1.00 1.00 H new ATOM 0 HB2 LYS A 45 88.803 -12.473 -8.485 1.00 1.00 H new ATOM 0 HB3 LYS A 45 87.659 -13.781 -8.263 1.00 1.00 H new ATOM 0 HG2 LYS A 45 88.044 -14.071 -10.536 1.00 1.00 H new ATOM 0 HG3 LYS A 45 86.748 -12.897 -10.656 1.00 1.00 H new ATOM 0 HD2 LYS A 45 88.572 -11.061 -10.580 1.00 1.00 H new ATOM 0 HD3 LYS A 45 89.751 -12.342 -10.775 1.00 1.00 H new ATOM 0 HE2 LYS A 45 87.557 -11.506 -12.715 1.00 1.00 H new ATOM 0 HE3 LYS A 45 89.282 -11.586 -13.010 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 88.510 -13.526 -13.978 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 88.985 -14.088 -12.448 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 87.343 -13.807 -12.777 1.00 1.00 H new ATOM 717 N GLY A 46 85.874 -10.881 -6.302 1.00 1.00 N ATOM 718 CA GLY A 46 85.730 -10.802 -4.822 1.00 1.00 C ATOM 719 C GLY A 46 87.089 -10.497 -4.193 1.00 1.00 C ATOM 720 O GLY A 46 88.108 -11.005 -4.617 1.00 1.00 O ATOM 0 H GLY A 46 85.345 -10.185 -6.828 1.00 1.00 H new ATOM 0 HA2 GLY A 46 85.012 -10.026 -4.557 1.00 1.00 H new ATOM 0 HA3 GLY A 46 85.340 -11.743 -4.433 1.00 1.00 H new ATOM 724 N VAL A 47 87.113 -9.671 -3.184 1.00 1.00 N ATOM 725 CA VAL A 47 88.406 -9.331 -2.525 1.00 1.00 C ATOM 726 C VAL A 47 88.147 -9.025 -1.047 1.00 1.00 C ATOM 727 O VAL A 47 88.215 -9.896 -0.202 1.00 1.00 O ATOM 728 CB VAL A 47 89.023 -8.102 -3.210 1.00 1.00 C ATOM 729 CG1 VAL A 47 89.954 -8.557 -4.335 1.00 1.00 C ATOM 730 CG2 VAL A 47 87.908 -7.232 -3.794 1.00 1.00 C ATOM 0 H VAL A 47 86.291 -9.216 -2.786 1.00 1.00 H new ATOM 0 HA VAL A 47 89.097 -10.170 -2.609 1.00 1.00 H new ATOM 0 HB VAL A 47 89.591 -7.526 -2.479 1.00 1.00 H new ATOM 0 HG11 VAL A 47 90.391 -7.685 -4.821 1.00 1.00 H new ATOM 0 HG12 VAL A 47 90.748 -9.178 -3.921 1.00 1.00 H new ATOM 0 HG13 VAL A 47 89.387 -9.133 -5.066 1.00 1.00 H new ATOM 0 HG21 VAL A 47 88.344 -6.360 -4.280 1.00 1.00 H new ATOM 0 HG22 VAL A 47 87.341 -7.809 -4.524 1.00 1.00 H new ATOM 0 HG23 VAL A 47 87.243 -6.907 -2.994 1.00 1.00 H new ATOM 740 N GLN A 48 87.846 -7.797 -0.730 1.00 1.00 N ATOM 741 CA GLN A 48 87.578 -7.437 0.691 1.00 1.00 C ATOM 742 C GLN A 48 86.836 -6.097 0.735 1.00 1.00 C ATOM 743 O GLN A 48 86.763 -5.450 1.761 1.00 1.00 O ATOM 744 CB GLN A 48 88.910 -7.328 1.450 1.00 1.00 C ATOM 745 CG GLN A 48 88.961 -8.393 2.547 1.00 1.00 C ATOM 746 CD GLN A 48 90.282 -8.278 3.310 1.00 1.00 C ATOM 747 OE1 GLN A 48 90.966 -7.168 3.242 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 90.696 -9.206 3.976 1.00 1.00 N flip ATOM 0 H GLN A 48 87.774 -7.026 -1.394 1.00 1.00 H new ATOM 0 HA GLN A 48 86.964 -8.205 1.161 1.00 1.00 H new ATOM 0 HB2 GLN A 48 89.745 -7.460 0.762 1.00 1.00 H new ATOM 0 HB3 GLN A 48 89.011 -6.335 1.888 1.00 1.00 H new ATOM 0 HG2 GLN A 48 88.122 -8.266 3.231 1.00 1.00 H new ATOM 0 HG3 GLN A 48 88.868 -9.387 2.109 1.00 1.00 H new ATOM 0 HE21 GLN A 48 90.162 -10.073 4.030 1.00 1.00 H new ATOM 0 HE22 GLN A 48 91.577 -9.118 4.482 1.00 1.00 H new ATOM 757 N GLY A 49 86.283 -5.681 -0.372 1.00 1.00 N ATOM 758 CA GLY A 49 85.543 -4.386 -0.400 1.00 1.00 C ATOM 759 C GLY A 49 86.509 -3.247 -0.738 1.00 1.00 C ATOM 760 O GLY A 49 87.224 -2.762 0.113 1.00 1.00 O ATOM 0 H GLY A 49 86.312 -6.183 -1.260 1.00 1.00 H new ATOM 0 HA2 GLY A 49 84.743 -4.429 -1.139 1.00 1.00 H new ATOM 0 HA3 GLY A 49 85.074 -4.203 0.567 1.00 1.00 H new ATOM 764 N CYS A 50 86.530 -2.822 -1.978 1.00 1.00 N ATOM 765 CA CYS A 50 87.442 -1.714 -2.394 1.00 1.00 C ATOM 766 C CYS A 50 88.779 -1.834 -1.659 1.00 1.00 C ATOM 767 O CYS A 50 88.922 -1.402 -0.532 1.00 1.00 O ATOM 768 CB CYS A 50 86.796 -0.365 -2.065 1.00 1.00 C ATOM 769 SG CYS A 50 86.317 -0.333 -0.320 1.00 1.00 S ATOM 0 H CYS A 50 85.948 -3.200 -2.726 1.00 1.00 H new ATOM 0 HA CYS A 50 87.617 -1.781 -3.468 1.00 1.00 H new ATOM 0 HB2 CYS A 50 87.494 0.445 -2.276 1.00 1.00 H new ATOM 0 HB3 CYS A 50 85.922 -0.205 -2.696 1.00 1.00 H new ATOM 774 N GLY A 51 89.763 -2.414 -2.292 1.00 1.00 N ATOM 775 CA GLY A 51 91.095 -2.564 -1.636 1.00 1.00 C ATOM 776 C GLY A 51 91.566 -1.216 -1.083 1.00 1.00 C ATOM 777 O GLY A 51 92.589 -1.129 -0.434 1.00 1.00 O ATOM 0 H GLY A 51 89.702 -2.792 -3.238 1.00 1.00 H new ATOM 0 HA2 GLY A 51 91.031 -3.294 -0.829 1.00 1.00 H new ATOM 0 HA3 GLY A 51 91.821 -2.945 -2.354 1.00 1.00 H new ATOM 781 N ASP A 52 90.835 -0.164 -1.335 1.00 1.00 N ATOM 782 CA ASP A 52 91.251 1.174 -0.821 1.00 1.00 C ATOM 783 C ASP A 52 91.580 1.075 0.673 1.00 1.00 C ATOM 784 O ASP A 52 92.647 0.639 1.056 1.00 1.00 O ATOM 785 CB ASP A 52 90.113 2.176 -1.028 1.00 1.00 C ATOM 786 CG ASP A 52 90.540 3.549 -0.506 1.00 1.00 C ATOM 787 OD1 ASP A 52 91.725 3.835 -0.549 1.00 1.00 O ATOM 788 OD2 ASP A 52 89.675 4.291 -0.071 1.00 1.00 O ATOM 0 H ASP A 52 89.969 -0.172 -1.874 1.00 1.00 H new ATOM 0 HA ASP A 52 92.135 1.509 -1.363 1.00 1.00 H new ATOM 0 HB2 ASP A 52 89.859 2.240 -2.086 1.00 1.00 H new ATOM 0 HB3 ASP A 52 89.218 1.839 -0.505 1.00 1.00 H new ATOM 793 N ASP A 53 90.673 1.480 1.520 1.00 1.00 N ATOM 794 CA ASP A 53 90.936 1.409 2.986 1.00 1.00 C ATOM 795 C ASP A 53 89.652 1.737 3.748 1.00 1.00 C ATOM 796 O ASP A 53 89.650 2.529 4.671 1.00 1.00 O ATOM 797 CB ASP A 53 92.025 2.418 3.360 1.00 1.00 C ATOM 798 CG ASP A 53 91.510 3.838 3.119 1.00 1.00 C ATOM 799 OD1 ASP A 53 90.663 4.002 2.257 1.00 1.00 O ATOM 800 OD2 ASP A 53 91.972 4.738 3.801 1.00 1.00 O ATOM 0 H ASP A 53 89.761 1.857 1.260 1.00 1.00 H new ATOM 0 HA ASP A 53 91.269 0.405 3.248 1.00 1.00 H new ATOM 0 HB2 ASP A 53 92.306 2.294 4.406 1.00 1.00 H new ATOM 0 HB3 ASP A 53 92.921 2.239 2.766 1.00 1.00 H new ATOM 805 N ILE A 54 88.558 1.134 3.364 1.00 1.00 N ATOM 806 CA ILE A 54 87.260 1.401 4.052 1.00 1.00 C ATOM 807 C ILE A 54 86.646 0.071 4.511 1.00 1.00 C ATOM 808 O ILE A 54 85.983 -0.604 3.748 1.00 1.00 O ATOM 809 CB ILE A 54 86.307 2.083 3.065 1.00 1.00 C ATOM 810 CG1 ILE A 54 86.905 3.420 2.622 1.00 1.00 C ATOM 811 CG2 ILE A 54 84.958 2.329 3.744 1.00 1.00 C ATOM 812 CD1 ILE A 54 87.107 4.319 3.843 1.00 1.00 C ATOM 0 H ILE A 54 88.507 0.463 2.598 1.00 1.00 H new ATOM 0 HA ILE A 54 87.424 2.045 4.916 1.00 1.00 H new ATOM 0 HB ILE A 54 86.164 1.441 2.196 1.00 1.00 H new ATOM 0 HG12 ILE A 54 87.857 3.255 2.117 1.00 1.00 H new ATOM 0 HG13 ILE A 54 86.244 3.906 1.905 1.00 1.00 H new ATOM 0 HG21 ILE A 54 84.280 2.814 3.042 1.00 1.00 H new ATOM 0 HG22 ILE A 54 84.532 1.377 4.061 1.00 1.00 H new ATOM 0 HG23 ILE A 54 85.100 2.971 4.613 1.00 1.00 H new ATOM 0 HD11 ILE A 54 87.533 5.271 3.527 1.00 1.00 H new ATOM 0 HD12 ILE A 54 86.147 4.494 4.329 1.00 1.00 H new ATOM 0 HD13 ILE A 54 87.785 3.833 4.544 1.00 1.00 H new ATOM 824 N PRO A 55 86.868 -0.309 5.745 1.00 1.00 N ATOM 825 CA PRO A 55 86.333 -1.580 6.304 1.00 1.00 C ATOM 826 C PRO A 55 84.894 -1.438 6.821 1.00 1.00 C ATOM 827 O PRO A 55 84.654 -1.402 8.011 1.00 1.00 O ATOM 828 CB PRO A 55 87.293 -1.881 7.454 1.00 1.00 C ATOM 829 CG PRO A 55 87.762 -0.544 7.930 1.00 1.00 C ATOM 830 CD PRO A 55 87.658 0.426 6.745 1.00 1.00 C ATOM 0 HA PRO A 55 86.280 -2.369 5.553 1.00 1.00 H new ATOM 0 HB2 PRO A 55 86.793 -2.430 8.252 1.00 1.00 H new ATOM 0 HB3 PRO A 55 88.129 -2.496 7.119 1.00 1.00 H new ATOM 0 HG2 PRO A 55 87.152 -0.198 8.764 1.00 1.00 H new ATOM 0 HG3 PRO A 55 88.789 -0.603 8.289 1.00 1.00 H new ATOM 0 HD2 PRO A 55 87.169 1.356 7.034 1.00 1.00 H new ATOM 0 HD3 PRO A 55 88.643 0.690 6.359 1.00 1.00 H new ATOM 838 N GLY A 56 83.938 -1.363 5.934 1.00 1.00 N ATOM 839 CA GLY A 56 82.518 -1.230 6.375 1.00 1.00 C ATOM 840 C GLY A 56 82.314 0.112 7.082 1.00 1.00 C ATOM 841 O GLY A 56 81.203 0.507 7.374 1.00 1.00 O ATOM 0 H GLY A 56 84.078 -1.388 4.924 1.00 1.00 H new ATOM 0 HA2 GLY A 56 81.853 -1.302 5.514 1.00 1.00 H new ATOM 0 HA3 GLY A 56 82.259 -2.048 7.047 1.00 1.00 H new ATOM 845 N MET A 57 83.377 0.816 7.362 1.00 1.00 N ATOM 846 CA MET A 57 83.249 2.133 8.052 1.00 1.00 C ATOM 847 C MET A 57 82.828 1.909 9.507 1.00 1.00 C ATOM 848 O MET A 57 83.218 2.640 10.395 1.00 1.00 O ATOM 849 CB MET A 57 82.198 3.004 7.343 1.00 1.00 C ATOM 850 CG MET A 57 82.204 2.704 5.843 1.00 1.00 C ATOM 851 SD MET A 57 82.166 4.259 4.917 1.00 1.00 S ATOM 852 CE MET A 57 80.732 4.983 5.749 1.00 1.00 C ATOM 0 H MET A 57 84.333 0.535 7.142 1.00 1.00 H new ATOM 0 HA MET A 57 84.212 2.643 8.022 1.00 1.00 H new ATOM 0 HB2 MET A 57 81.210 2.808 7.759 1.00 1.00 H new ATOM 0 HB3 MET A 57 82.412 4.059 7.513 1.00 1.00 H new ATOM 0 HG2 MET A 57 83.094 2.133 5.579 1.00 1.00 H new ATOM 0 HG3 MET A 57 81.342 2.091 5.580 1.00 1.00 H new ATOM 0 HE1 MET A 57 80.275 5.732 5.102 1.00 1.00 H new ATOM 0 HE2 MET A 57 80.005 4.201 5.968 1.00 1.00 H new ATOM 0 HE3 MET A 57 81.050 5.453 6.679 1.00 1.00 H new ATOM 862 N GLU A 58 82.033 0.903 9.755 1.00 1.00 N ATOM 863 CA GLU A 58 81.581 0.626 11.149 1.00 1.00 C ATOM 864 C GLU A 58 80.544 1.673 11.570 1.00 1.00 C ATOM 865 O GLU A 58 80.744 2.425 12.504 1.00 1.00 O ATOM 866 CB GLU A 58 82.783 0.667 12.104 1.00 1.00 C ATOM 867 CG GLU A 58 82.532 -0.278 13.281 1.00 1.00 C ATOM 868 CD GLU A 58 83.604 -0.060 14.350 1.00 1.00 C ATOM 869 OE1 GLU A 58 83.649 1.027 14.902 1.00 1.00 O ATOM 870 OE2 GLU A 58 84.362 -0.983 14.598 1.00 1.00 O ATOM 0 H GLU A 58 81.676 0.259 9.049 1.00 1.00 H new ATOM 0 HA GLU A 58 81.128 -0.365 11.191 1.00 1.00 H new ATOM 0 HB2 GLU A 58 83.691 0.374 11.576 1.00 1.00 H new ATOM 0 HB3 GLU A 58 82.939 1.683 12.466 1.00 1.00 H new ATOM 0 HG2 GLU A 58 81.543 -0.097 13.701 1.00 1.00 H new ATOM 0 HG3 GLU A 58 82.549 -1.313 12.940 1.00 1.00 H new ATOM 877 N GLY A 59 79.432 1.724 10.889 1.00 1.00 N ATOM 878 CA GLY A 59 78.375 2.715 11.245 1.00 1.00 C ATOM 879 C GLY A 59 77.002 2.114 10.945 1.00 1.00 C ATOM 880 O GLY A 59 75.981 2.618 11.371 1.00 1.00 O ATOM 0 H GLY A 59 79.208 1.120 10.098 1.00 1.00 H new ATOM 0 HA2 GLY A 59 78.447 2.979 12.300 1.00 1.00 H new ATOM 0 HA3 GLY A 59 78.515 3.634 10.676 1.00 1.00 H new ATOM 884 N CYS A 60 76.974 1.035 10.214 1.00 1.00 N ATOM 885 CA CYS A 60 75.676 0.384 9.878 1.00 1.00 C ATOM 886 C CYS A 60 75.878 -1.131 9.823 1.00 1.00 C ATOM 887 O CYS A 60 75.708 -1.754 8.795 1.00 1.00 O ATOM 888 CB CYS A 60 75.192 0.887 8.517 1.00 1.00 C ATOM 889 SG CYS A 60 74.546 2.569 8.691 1.00 1.00 S ATOM 0 H CYS A 60 77.799 0.573 9.832 1.00 1.00 H new ATOM 0 HA CYS A 60 74.932 0.628 10.637 1.00 1.00 H new ATOM 0 HB2 CYS A 60 76.012 0.873 7.799 1.00 1.00 H new ATOM 0 HB3 CYS A 60 74.417 0.227 8.128 1.00 1.00 H new ATOM 894 N GLY A 61 76.256 -1.723 10.924 1.00 1.00 N ATOM 895 CA GLY A 61 76.492 -3.196 10.946 1.00 1.00 C ATOM 896 C GLY A 61 77.976 -3.455 10.726 1.00 1.00 C ATOM 897 O GLY A 61 78.765 -3.408 11.645 1.00 1.00 O ATOM 0 H GLY A 61 76.412 -1.248 11.813 1.00 1.00 H new ATOM 0 HA2 GLY A 61 76.172 -3.616 11.900 1.00 1.00 H new ATOM 0 HA3 GLY A 61 75.904 -3.685 10.169 1.00 1.00 H new ATOM 901 N THR A 62 78.354 -3.721 9.504 1.00 1.00 N ATOM 902 CA THR A 62 79.787 -3.980 9.187 1.00 1.00 C ATOM 903 C THR A 62 79.869 -4.671 7.817 1.00 1.00 C ATOM 904 O THR A 62 79.256 -4.242 6.860 1.00 1.00 O ATOM 905 CB THR A 62 80.421 -4.868 10.284 1.00 1.00 C ATOM 906 OG1 THR A 62 79.394 -5.532 11.006 1.00 1.00 O ATOM 907 CG2 THR A 62 81.237 -3.996 11.240 1.00 1.00 C ATOM 0 H THR A 62 77.723 -3.770 8.704 1.00 1.00 H new ATOM 0 HA THR A 62 80.338 -3.040 9.154 1.00 1.00 H new ATOM 0 HB THR A 62 81.075 -5.606 9.821 1.00 1.00 H new ATOM 0 HG1 THR A 62 79.240 -5.069 11.856 1.00 1.00 H new ATOM 0 HG21 THR A 62 81.683 -4.622 12.013 1.00 1.00 H new ATOM 0 HG22 THR A 62 82.025 -3.487 10.685 1.00 1.00 H new ATOM 0 HG23 THR A 62 80.585 -3.256 11.704 1.00 1.00 H new ATOM 915 N ASP A 63 80.624 -5.725 7.715 1.00 1.00 N ATOM 916 CA ASP A 63 80.753 -6.437 6.412 1.00 1.00 C ATOM 917 C ASP A 63 79.455 -7.180 6.087 1.00 1.00 C ATOM 918 O ASP A 63 79.473 -8.224 5.465 1.00 1.00 O ATOM 919 CB ASP A 63 81.907 -7.439 6.495 1.00 1.00 C ATOM 920 CG ASP A 63 81.732 -8.317 7.735 1.00 1.00 C ATOM 921 OD1 ASP A 63 81.950 -7.817 8.827 1.00 1.00 O ATOM 922 OD2 ASP A 63 81.384 -9.475 7.573 1.00 1.00 O ATOM 0 H ASP A 63 81.162 -6.129 8.482 1.00 1.00 H new ATOM 0 HA ASP A 63 80.951 -5.709 5.625 1.00 1.00 H new ATOM 0 HB2 ASP A 63 81.930 -8.058 5.598 1.00 1.00 H new ATOM 0 HB3 ASP A 63 82.859 -6.910 6.542 1.00 1.00 H new ATOM 927 N ILE A 64 78.329 -6.665 6.500 1.00 1.00 N ATOM 928 CA ILE A 64 77.049 -7.371 6.200 1.00 1.00 C ATOM 929 C ILE A 64 75.867 -6.412 6.320 1.00 1.00 C ATOM 930 O ILE A 64 74.838 -6.617 5.708 1.00 1.00 O ATOM 931 CB ILE A 64 76.855 -8.515 7.190 1.00 1.00 C ATOM 932 CG1 ILE A 64 75.479 -9.148 6.973 1.00 1.00 C ATOM 933 CG2 ILE A 64 76.947 -7.976 8.619 1.00 1.00 C ATOM 934 CD1 ILE A 64 75.410 -10.486 7.710 1.00 1.00 C ATOM 0 H ILE A 64 78.239 -5.796 7.026 1.00 1.00 H new ATOM 0 HA ILE A 64 77.097 -7.756 5.181 1.00 1.00 H new ATOM 0 HB ILE A 64 77.630 -9.265 7.034 1.00 1.00 H new ATOM 0 HG12 ILE A 64 74.698 -8.480 7.337 1.00 1.00 H new ATOM 0 HG13 ILE A 64 75.300 -9.298 5.908 1.00 1.00 H new ATOM 0 HG21 ILE A 64 76.808 -8.794 9.326 1.00 1.00 H new ATOM 0 HG22 ILE A 64 77.926 -7.524 8.775 1.00 1.00 H new ATOM 0 HG23 ILE A 64 76.172 -7.226 8.775 1.00 1.00 H new ATOM 0 HD11 ILE A 64 74.430 -10.937 7.555 1.00 1.00 H new ATOM 0 HD12 ILE A 64 76.181 -11.154 7.325 1.00 1.00 H new ATOM 0 HD13 ILE A 64 75.570 -10.323 8.776 1.00 1.00 H new ATOM 946 N THR A 65 75.990 -5.378 7.110 1.00 1.00 N ATOM 947 CA THR A 65 74.844 -4.433 7.269 1.00 1.00 C ATOM 948 C THR A 65 73.571 -5.263 7.343 1.00 1.00 C ATOM 949 O THR A 65 72.513 -4.858 6.906 1.00 1.00 O ATOM 950 CB THR A 65 74.783 -3.493 6.068 1.00 1.00 C ATOM 951 OG1 THR A 65 74.341 -4.214 4.927 1.00 1.00 O ATOM 952 CG2 THR A 65 76.172 -2.912 5.801 1.00 1.00 C ATOM 0 H THR A 65 76.826 -5.148 7.648 1.00 1.00 H new ATOM 0 HA THR A 65 74.961 -3.832 8.171 1.00 1.00 H new ATOM 0 HB THR A 65 74.087 -2.681 6.277 1.00 1.00 H new ATOM 0 HG1 THR A 65 74.289 -5.168 5.143 1.00 1.00 H new ATOM 0 HG21 THR A 65 76.127 -2.241 4.943 1.00 1.00 H new ATOM 0 HG22 THR A 65 76.509 -2.359 6.677 1.00 1.00 H new ATOM 0 HG23 THR A 65 76.871 -3.722 5.592 1.00 1.00 H new ATOM 960 N VAL A 66 73.702 -6.447 7.868 1.00 1.00 N ATOM 961 CA VAL A 66 72.547 -7.380 7.963 1.00 1.00 C ATOM 962 C VAL A 66 72.264 -7.923 6.563 1.00 1.00 C ATOM 963 O VAL A 66 71.996 -9.093 6.376 1.00 1.00 O ATOM 964 CB VAL A 66 71.309 -6.651 8.504 1.00 1.00 C ATOM 965 CG1 VAL A 66 70.294 -7.676 9.013 1.00 1.00 C ATOM 966 CG2 VAL A 66 71.723 -5.731 9.654 1.00 1.00 C ATOM 0 H VAL A 66 74.577 -6.814 8.242 1.00 1.00 H new ATOM 0 HA VAL A 66 72.782 -8.195 8.648 1.00 1.00 H new ATOM 0 HB VAL A 66 70.859 -6.059 7.707 1.00 1.00 H new ATOM 0 HG11 VAL A 66 69.415 -7.158 9.397 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.999 -8.333 8.195 1.00 1.00 H new ATOM 0 HG13 VAL A 66 70.743 -8.268 9.810 1.00 1.00 H new ATOM 0 HG21 VAL A 66 70.845 -5.213 10.039 1.00 1.00 H new ATOM 0 HG22 VAL A 66 72.173 -6.324 10.450 1.00 1.00 H new ATOM 0 HG23 VAL A 66 72.447 -5.000 9.293 1.00 1.00 H new ATOM 976 N ILE A 67 72.341 -7.072 5.577 1.00 1.00 N ATOM 977 CA ILE A 67 72.100 -7.511 4.172 1.00 1.00 C ATOM 978 C ILE A 67 73.089 -6.818 3.230 1.00 1.00 C ATOM 979 O ILE A 67 72.948 -5.648 2.934 1.00 1.00 O ATOM 980 CB ILE A 67 70.673 -7.160 3.753 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.691 -7.684 4.803 1.00 1.00 C ATOM 982 CG2 ILE A 67 70.364 -7.805 2.401 1.00 1.00 C ATOM 983 CD1 ILE A 67 68.260 -7.361 4.371 1.00 1.00 C ATOM 0 H ILE A 67 72.563 -6.082 5.685 1.00 1.00 H new ATOM 0 HA ILE A 67 72.240 -8.590 4.114 1.00 1.00 H new ATOM 0 HB ILE A 67 70.575 -6.078 3.670 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.811 -8.761 4.923 1.00 1.00 H new ATOM 0 HG13 ILE A 67 69.901 -7.230 5.771 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.346 -7.554 2.102 1.00 1.00 H new ATOM 0 HG22 ILE A 67 71.064 -7.433 1.652 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.462 -8.887 2.483 1.00 1.00 H new ATOM 0 HD11 ILE A 67 67.561 -7.735 5.119 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.144 -6.282 4.273 1.00 1.00 H new ATOM 0 HD13 ILE A 67 68.053 -7.836 3.412 1.00 1.00 H new ATOM 995 N CYS A 68 74.072 -7.522 2.739 1.00 1.00 N ATOM 996 CA CYS A 68 75.046 -6.893 1.798 1.00 1.00 C ATOM 997 C CYS A 68 74.938 -7.585 0.433 1.00 1.00 C ATOM 998 O CYS A 68 74.560 -8.735 0.344 1.00 1.00 O ATOM 999 CB CYS A 68 76.466 -7.054 2.351 1.00 1.00 C ATOM 1000 SG CYS A 68 76.750 -5.831 3.655 1.00 1.00 S ATOM 0 H CYS A 68 74.244 -8.505 2.948 1.00 1.00 H new ATOM 0 HA CYS A 68 74.824 -5.831 1.688 1.00 1.00 H new ATOM 0 HB2 CYS A 68 76.601 -8.061 2.746 1.00 1.00 H new ATOM 0 HB3 CYS A 68 77.196 -6.925 1.552 1.00 1.00 H new ATOM 1005 N PRO A 69 75.247 -6.890 -0.633 1.00 1.00 N ATOM 1006 CA PRO A 69 75.165 -7.445 -2.009 1.00 1.00 C ATOM 1007 C PRO A 69 75.585 -8.918 -2.079 1.00 1.00 C ATOM 1008 O PRO A 69 74.862 -9.754 -2.584 1.00 1.00 O ATOM 1009 CB PRO A 69 76.127 -6.571 -2.829 1.00 1.00 C ATOM 1010 CG PRO A 69 76.479 -5.389 -1.976 1.00 1.00 C ATOM 1011 CD PRO A 69 75.714 -5.500 -0.652 1.00 1.00 C ATOM 0 HA PRO A 69 74.141 -7.425 -2.381 1.00 1.00 H new ATOM 0 HB2 PRO A 69 77.022 -7.132 -3.100 1.00 1.00 H new ATOM 0 HB3 PRO A 69 75.658 -6.250 -3.759 1.00 1.00 H new ATOM 0 HG2 PRO A 69 77.553 -5.361 -1.792 1.00 1.00 H new ATOM 0 HG3 PRO A 69 76.219 -4.462 -2.487 1.00 1.00 H new ATOM 0 HD2 PRO A 69 76.357 -5.282 0.201 1.00 1.00 H new ATOM 0 HD3 PRO A 69 74.881 -4.798 -0.611 1.00 1.00 H new ATOM 1019 N TRP A 70 76.750 -9.242 -1.589 1.00 1.00 N ATOM 1020 CA TRP A 70 77.210 -10.659 -1.646 1.00 1.00 C ATOM 1021 C TRP A 70 76.320 -11.538 -0.762 1.00 1.00 C ATOM 1022 O TRP A 70 76.737 -12.579 -0.294 1.00 1.00 O ATOM 1023 CB TRP A 70 78.662 -10.751 -1.167 1.00 1.00 C ATOM 1024 CG TRP A 70 78.864 -9.834 -0.004 1.00 1.00 C ATOM 1025 CD1 TRP A 70 78.212 -9.923 1.178 1.00 1.00 C ATOM 1026 CD2 TRP A 70 79.766 -8.694 0.111 1.00 1.00 C ATOM 1027 NE1 TRP A 70 78.654 -8.912 2.011 1.00 1.00 N ATOM 1028 CE2 TRP A 70 79.612 -8.127 1.400 1.00 1.00 C ATOM 1029 CE3 TRP A 70 80.691 -8.103 -0.767 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 80.352 -7.012 1.801 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 81.436 -6.984 -0.367 1.00 1.00 C ATOM 1032 CH2 TRP A 70 81.268 -6.439 0.913 1.00 1.00 C ATOM 0 H TRP A 70 77.402 -8.590 -1.153 1.00 1.00 H new ATOM 0 HA TRP A 70 77.145 -11.010 -2.676 1.00 1.00 H new ATOM 0 HB2 TRP A 70 78.897 -11.776 -0.880 1.00 1.00 H new ATOM 0 HB3 TRP A 70 79.341 -10.483 -1.977 1.00 1.00 H new ATOM 0 HD1 TRP A 70 77.467 -10.663 1.430 1.00 1.00 H new ATOM 0 HE1 TRP A 70 78.314 -8.764 2.961 1.00 1.00 H new ATOM 0 HE3 TRP A 70 80.829 -8.513 -1.756 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 80.218 -6.596 2.789 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 82.144 -6.539 -1.050 1.00 1.00 H new ATOM 0 HH2 TRP A 70 81.845 -5.577 1.214 1.00 1.00 H new ATOM 1043 N GLU A 71 75.096 -11.138 -0.534 1.00 1.00 N ATOM 1044 CA GLU A 71 74.190 -11.964 0.312 1.00 1.00 C ATOM 1045 C GLU A 71 72.762 -11.860 -0.240 1.00 1.00 C ATOM 1046 O GLU A 71 72.120 -12.856 -0.507 1.00 1.00 O ATOM 1047 CB GLU A 71 74.267 -11.465 1.769 1.00 1.00 C ATOM 1048 CG GLU A 71 72.886 -11.554 2.421 1.00 1.00 C ATOM 1049 CD GLU A 71 72.322 -12.963 2.232 1.00 1.00 C ATOM 1050 OE1 GLU A 71 72.975 -13.903 2.655 1.00 1.00 O ATOM 1051 OE2 GLU A 71 71.246 -13.079 1.668 1.00 1.00 O ATOM 0 H GLU A 71 74.687 -10.277 -0.897 1.00 1.00 H new ATOM 0 HA GLU A 71 74.492 -13.011 0.293 1.00 1.00 H new ATOM 0 HB2 GLU A 71 74.984 -12.064 2.331 1.00 1.00 H new ATOM 0 HB3 GLU A 71 74.624 -10.436 1.792 1.00 1.00 H new ATOM 0 HG2 GLU A 71 72.958 -11.319 3.483 1.00 1.00 H new ATOM 0 HG3 GLU A 71 72.214 -10.819 1.977 1.00 1.00 H new ATOM 1058 N ALA A 72 72.258 -10.668 -0.418 1.00 1.00 N ATOM 1059 CA ALA A 72 70.874 -10.522 -0.957 1.00 1.00 C ATOM 1060 C ALA A 72 70.881 -10.752 -2.473 1.00 1.00 C ATOM 1061 O ALA A 72 70.817 -11.871 -2.942 1.00 1.00 O ATOM 1062 CB ALA A 72 70.348 -9.116 -0.652 1.00 1.00 C ATOM 0 H ALA A 72 72.742 -9.793 -0.215 1.00 1.00 H new ATOM 0 HA ALA A 72 70.226 -11.260 -0.485 1.00 1.00 H new ATOM 0 HB1 ALA A 72 69.337 -9.012 -1.047 1.00 1.00 H new ATOM 0 HB2 ALA A 72 70.334 -8.959 0.426 1.00 1.00 H new ATOM 0 HB3 ALA A 72 70.998 -8.375 -1.119 1.00 1.00 H new ATOM 1068 N CYS A 73 70.947 -9.697 -3.241 1.00 1.00 N ATOM 1069 CA CYS A 73 70.945 -9.848 -4.724 1.00 1.00 C ATOM 1070 C CYS A 73 72.337 -10.269 -5.201 1.00 1.00 C ATOM 1071 O CYS A 73 72.760 -9.921 -6.285 1.00 1.00 O ATOM 1072 CB CYS A 73 70.565 -8.515 -5.374 1.00 1.00 C ATOM 1073 SG CYS A 73 71.971 -7.378 -5.288 1.00 1.00 S ATOM 0 H CYS A 73 71.002 -8.736 -2.904 1.00 1.00 H new ATOM 0 HA CYS A 73 70.220 -10.611 -5.007 1.00 1.00 H new ATOM 0 HB2 CYS A 73 70.276 -8.674 -6.413 1.00 1.00 H new ATOM 0 HB3 CYS A 73 69.703 -8.083 -4.866 1.00 1.00 H new ATOM 1078 N ASN A 74 73.051 -11.015 -4.400 1.00 1.00 N ATOM 1079 CA ASN A 74 74.417 -11.465 -4.805 1.00 1.00 C ATOM 1080 C ASN A 74 75.154 -10.329 -5.522 1.00 1.00 C ATOM 1081 O ASN A 74 75.174 -9.203 -5.066 1.00 1.00 O ATOM 1082 CB ASN A 74 74.298 -12.668 -5.745 1.00 1.00 C ATOM 1083 CG ASN A 74 73.501 -12.268 -6.988 1.00 1.00 C ATOM 1084 OD1 ASN A 74 74.065 -11.826 -7.969 1.00 1.00 O ATOM 1085 ND2 ASN A 74 72.203 -12.406 -6.988 1.00 1.00 N ATOM 0 H ASN A 74 72.747 -11.333 -3.480 1.00 1.00 H new ATOM 0 HA ASN A 74 74.978 -11.747 -3.914 1.00 1.00 H new ATOM 0 HB2 ASN A 74 75.290 -13.018 -6.033 1.00 1.00 H new ATOM 0 HB3 ASN A 74 73.804 -13.495 -5.234 1.00 1.00 H new ATOM 0 HD21 ASN A 74 71.662 -12.143 -7.812 1.00 1.00 H new ATOM 0 HD22 ASN A 74 71.730 -12.777 -6.164 1.00 1.00 H new ATOM 1092 N HIS A 75 75.759 -10.618 -6.643 1.00 1.00 N ATOM 1093 CA HIS A 75 76.496 -9.560 -7.394 1.00 1.00 C ATOM 1094 C HIS A 75 75.529 -8.837 -8.336 1.00 1.00 C ATOM 1095 O HIS A 75 74.328 -8.882 -8.162 1.00 1.00 O ATOM 1096 CB HIS A 75 77.615 -10.206 -8.217 1.00 1.00 C ATOM 1097 CG HIS A 75 78.740 -10.610 -7.304 1.00 1.00 C ATOM 1098 ND1 HIS A 75 79.151 -11.929 -7.176 1.00 1.00 N ATOM 1099 CD2 HIS A 75 79.550 -9.881 -6.467 1.00 1.00 C ATOM 1100 CE1 HIS A 75 80.165 -11.955 -6.294 1.00 1.00 C ATOM 1101 NE2 HIS A 75 80.447 -10.735 -5.833 1.00 1.00 N ATOM 0 H HIS A 75 75.775 -11.543 -7.072 1.00 1.00 H new ATOM 0 HA HIS A 75 76.924 -8.846 -6.690 1.00 1.00 H new ATOM 0 HB2 HIS A 75 77.233 -11.078 -8.749 1.00 1.00 H new ATOM 0 HB3 HIS A 75 77.977 -9.506 -8.970 1.00 1.00 H new ATOM 0 HD2 HIS A 75 79.498 -8.812 -6.324 1.00 1.00 H new ATOM 0 HE1 HIS A 75 80.687 -12.852 -5.995 1.00 1.00 H new ATOM 0 HE2 HIS A 75 81.168 -10.482 -5.158 1.00 1.00 H new ATOM 1110 N CYS A 76 76.046 -8.173 -9.335 1.00 1.00 N ATOM 1111 CA CYS A 76 75.163 -7.450 -10.293 1.00 1.00 C ATOM 1112 C CYS A 76 75.783 -7.499 -11.690 1.00 1.00 C ATOM 1113 O CYS A 76 76.921 -7.123 -11.886 1.00 1.00 O ATOM 1114 CB CYS A 76 75.020 -5.991 -9.854 1.00 1.00 C ATOM 1115 SG CYS A 76 73.923 -5.898 -8.417 1.00 1.00 S ATOM 0 H CYS A 76 77.045 -8.101 -9.529 1.00 1.00 H new ATOM 0 HA CYS A 76 74.181 -7.923 -10.311 1.00 1.00 H new ATOM 0 HB2 CYS A 76 75.997 -5.577 -9.606 1.00 1.00 H new ATOM 0 HB3 CYS A 76 74.618 -5.392 -10.671 1.00 1.00 H new ATOM 1120 N GLU A 77 75.047 -7.958 -12.663 1.00 1.00 N ATOM 1121 CA GLU A 77 75.603 -8.026 -14.043 1.00 1.00 C ATOM 1122 C GLU A 77 75.728 -6.611 -14.614 1.00 1.00 C ATOM 1123 O GLU A 77 76.664 -5.895 -14.321 1.00 1.00 O ATOM 1124 CB GLU A 77 74.670 -8.857 -14.927 1.00 1.00 C ATOM 1125 CG GLU A 77 74.720 -10.321 -14.487 1.00 1.00 C ATOM 1126 CD GLU A 77 73.638 -11.113 -15.222 1.00 1.00 C ATOM 1127 OE1 GLU A 77 73.680 -11.145 -16.441 1.00 1.00 O ATOM 1128 OE2 GLU A 77 72.785 -11.675 -14.554 1.00 1.00 O ATOM 0 H GLU A 77 74.087 -8.288 -12.563 1.00 1.00 H new ATOM 0 HA GLU A 77 76.588 -8.493 -14.017 1.00 1.00 H new ATOM 0 HB2 GLU A 77 73.650 -8.479 -14.854 1.00 1.00 H new ATOM 0 HB3 GLU A 77 74.968 -8.770 -15.972 1.00 1.00 H new ATOM 0 HG2 GLU A 77 75.702 -10.742 -14.701 1.00 1.00 H new ATOM 0 HG3 GLU A 77 74.570 -10.393 -13.410 1.00 1.00 H new ATOM 1135 N LEU A 78 74.791 -6.202 -15.426 1.00 1.00 N ATOM 1136 CA LEU A 78 74.858 -4.834 -16.014 1.00 1.00 C ATOM 1137 C LEU A 78 74.120 -3.851 -15.101 1.00 1.00 C ATOM 1138 O LEU A 78 73.481 -4.239 -14.143 1.00 1.00 O ATOM 1139 CB LEU A 78 74.203 -4.845 -17.400 1.00 1.00 C ATOM 1140 CG LEU A 78 75.239 -5.241 -18.453 1.00 1.00 C ATOM 1141 CD1 LEU A 78 74.538 -5.932 -19.625 1.00 1.00 C ATOM 1142 CD2 LEU A 78 75.957 -3.988 -18.958 1.00 1.00 C ATOM 0 H LEU A 78 73.982 -6.756 -15.707 1.00 1.00 H new ATOM 0 HA LEU A 78 75.899 -4.525 -16.109 1.00 1.00 H new ATOM 0 HB2 LEU A 78 73.369 -5.547 -17.414 1.00 1.00 H new ATOM 0 HB3 LEU A 78 73.795 -3.860 -17.629 1.00 1.00 H new ATOM 0 HG LEU A 78 75.964 -5.923 -18.009 1.00 1.00 H new ATOM 0 HD11 LEU A 78 75.276 -6.214 -20.375 1.00 1.00 H new ATOM 0 HD12 LEU A 78 74.025 -6.825 -19.267 1.00 1.00 H new ATOM 0 HD13 LEU A 78 73.813 -5.250 -20.068 1.00 1.00 H new ATOM 0 HD21 LEU A 78 76.696 -4.269 -19.709 1.00 1.00 H new ATOM 0 HD22 LEU A 78 75.231 -3.306 -19.401 1.00 1.00 H new ATOM 0 HD23 LEU A 78 76.457 -3.494 -18.125 1.00 1.00 H new ATOM 1154 N HIS A 79 74.203 -2.581 -15.390 1.00 1.00 N ATOM 1155 CA HIS A 79 73.507 -1.574 -14.538 1.00 1.00 C ATOM 1156 C HIS A 79 72.043 -1.466 -14.969 1.00 1.00 C ATOM 1157 O HIS A 79 71.247 -0.799 -14.338 1.00 1.00 O ATOM 1158 CB HIS A 79 74.190 -0.212 -14.695 1.00 1.00 C ATOM 1159 CG HIS A 79 73.845 0.371 -16.038 1.00 1.00 C ATOM 1160 ND1 HIS A 79 73.064 1.509 -16.171 1.00 1.00 N ATOM 1161 CD2 HIS A 79 74.166 -0.016 -17.316 1.00 1.00 C ATOM 1162 CE1 HIS A 79 72.941 1.767 -17.485 1.00 1.00 C ATOM 1163 NE2 HIS A 79 73.594 0.869 -18.225 1.00 1.00 N ATOM 0 H HIS A 79 74.723 -2.197 -16.179 1.00 1.00 H new ATOM 0 HA HIS A 79 73.555 -1.885 -13.494 1.00 1.00 H new ATOM 0 HB2 HIS A 79 73.868 0.462 -13.901 1.00 1.00 H new ATOM 0 HB3 HIS A 79 75.270 -0.322 -14.601 1.00 1.00 H new ATOM 0 HD2 HIS A 79 74.769 -0.874 -17.575 1.00 1.00 H new ATOM 0 HE1 HIS A 79 72.383 2.598 -17.891 1.00 1.00 H new ATOM 0 HE2 HIS A 79 73.660 0.838 -19.242 1.00 1.00 H new ATOM 1172 N GLU A 80 71.683 -2.115 -16.043 1.00 1.00 N ATOM 1173 CA GLU A 80 70.272 -2.048 -16.518 1.00 1.00 C ATOM 1174 C GLU A 80 69.441 -3.106 -15.787 1.00 1.00 C ATOM 1175 O GLU A 80 68.227 -3.049 -15.767 1.00 1.00 O ATOM 1176 CB GLU A 80 70.234 -2.302 -18.028 1.00 1.00 C ATOM 1177 CG GLU A 80 71.127 -1.283 -18.739 1.00 1.00 C ATOM 1178 CD GLU A 80 70.850 -1.322 -20.243 1.00 1.00 C ATOM 1179 OE1 GLU A 80 71.059 -2.367 -20.837 1.00 1.00 O ATOM 1180 OE2 GLU A 80 70.433 -0.306 -20.775 1.00 1.00 O ATOM 0 H GLU A 80 72.305 -2.689 -16.612 1.00 1.00 H new ATOM 0 HA GLU A 80 69.857 -1.062 -16.311 1.00 1.00 H new ATOM 0 HB2 GLU A 80 70.574 -3.314 -18.246 1.00 1.00 H new ATOM 0 HB3 GLU A 80 69.211 -2.224 -18.395 1.00 1.00 H new ATOM 0 HG2 GLU A 80 70.937 -0.283 -18.349 1.00 1.00 H new ATOM 0 HG3 GLU A 80 72.176 -1.506 -18.546 1.00 1.00 H new ATOM 1187 N LEU A 81 70.086 -4.066 -15.178 1.00 1.00 N ATOM 1188 CA LEU A 81 69.334 -5.121 -14.438 1.00 1.00 C ATOM 1189 C LEU A 81 69.112 -4.657 -12.998 1.00 1.00 C ATOM 1190 O LEU A 81 68.609 -5.389 -12.169 1.00 1.00 O ATOM 1191 CB LEU A 81 70.139 -6.428 -14.439 1.00 1.00 C ATOM 1192 CG LEU A 81 69.915 -7.168 -15.759 1.00 1.00 C ATOM 1193 CD1 LEU A 81 68.471 -7.671 -15.825 1.00 1.00 C ATOM 1194 CD2 LEU A 81 70.175 -6.215 -16.927 1.00 1.00 C ATOM 0 H LEU A 81 71.101 -4.165 -15.161 1.00 1.00 H new ATOM 0 HA LEU A 81 68.373 -5.294 -14.922 1.00 1.00 H new ATOM 0 HB2 LEU A 81 71.199 -6.214 -14.306 1.00 1.00 H new ATOM 0 HB3 LEU A 81 69.833 -7.056 -13.602 1.00 1.00 H new ATOM 0 HG LEU A 81 70.598 -8.015 -15.820 1.00 1.00 H new ATOM 0 HD11 LEU A 81 68.312 -8.198 -16.766 1.00 1.00 H new ATOM 0 HD12 LEU A 81 68.284 -8.349 -14.993 1.00 1.00 H new ATOM 0 HD13 LEU A 81 67.788 -6.824 -15.764 1.00 1.00 H new ATOM 0 HD21 LEU A 81 70.016 -6.741 -17.868 1.00 1.00 H new ATOM 0 HD22 LEU A 81 69.492 -5.368 -16.865 1.00 1.00 H new ATOM 0 HD23 LEU A 81 71.203 -5.856 -16.882 1.00 1.00 H new ATOM 1206 N ALA A 82 69.485 -3.443 -12.696 1.00 1.00 N ATOM 1207 CA ALA A 82 69.297 -2.923 -11.312 1.00 1.00 C ATOM 1208 C ALA A 82 67.796 -2.756 -11.034 1.00 1.00 C ATOM 1209 O ALA A 82 67.353 -1.744 -10.528 1.00 1.00 O ATOM 1210 CB ALA A 82 70.018 -1.573 -11.181 1.00 1.00 C ATOM 0 H ALA A 82 69.913 -2.788 -13.350 1.00 1.00 H new ATOM 0 HA ALA A 82 69.715 -3.622 -10.587 1.00 1.00 H new ATOM 0 HB1 ALA A 82 69.885 -1.186 -10.171 1.00 1.00 H new ATOM 0 HB2 ALA A 82 71.081 -1.707 -11.381 1.00 1.00 H new ATOM 0 HB3 ALA A 82 69.600 -0.866 -11.898 1.00 1.00 H new ATOM 1216 N GLN A 83 67.013 -3.748 -11.361 1.00 1.00 N ATOM 1217 CA GLN A 83 65.545 -3.663 -11.118 1.00 1.00 C ATOM 1218 C GLN A 83 64.980 -2.395 -11.761 1.00 1.00 C ATOM 1219 O GLN A 83 64.571 -2.399 -12.905 1.00 1.00 O ATOM 1220 CB GLN A 83 65.276 -3.631 -9.613 1.00 1.00 C ATOM 1221 CG GLN A 83 65.498 -5.026 -9.025 1.00 1.00 C ATOM 1222 CD GLN A 83 66.921 -5.493 -9.341 1.00 1.00 C ATOM 1223 OE1 GLN A 83 67.862 -4.734 -9.222 1.00 1.00 O ATOM 1224 NE2 GLN A 83 67.118 -6.719 -9.742 1.00 1.00 N ATOM 0 H GLN A 83 67.329 -4.618 -11.788 1.00 1.00 H new ATOM 0 HA GLN A 83 65.061 -4.535 -11.559 1.00 1.00 H new ATOM 0 HB2 GLN A 83 65.937 -2.912 -9.130 1.00 1.00 H new ATOM 0 HB3 GLN A 83 64.254 -3.303 -9.422 1.00 1.00 H new ATOM 0 HG2 GLN A 83 65.341 -5.007 -7.946 1.00 1.00 H new ATOM 0 HG3 GLN A 83 64.773 -5.727 -9.440 1.00 1.00 H new ATOM 0 HE21 GLN A 83 66.328 -7.356 -9.842 1.00 1.00 H new ATOM 0 HE22 GLN A 83 68.062 -7.040 -9.956 1.00 1.00 H new ATOM 1233 N TYR A 84 64.941 -1.311 -11.031 1.00 1.00 N ATOM 1234 CA TYR A 84 64.389 -0.044 -11.595 1.00 1.00 C ATOM 1235 C TYR A 84 65.538 0.870 -12.036 1.00 1.00 C ATOM 1236 O TYR A 84 65.342 2.038 -12.311 1.00 1.00 O ATOM 1237 CB TYR A 84 63.546 0.659 -10.519 1.00 1.00 C ATOM 1238 CG TYR A 84 62.080 0.462 -10.821 1.00 1.00 C ATOM 1239 CD1 TYR A 84 61.484 1.153 -11.883 1.00 1.00 C ATOM 1240 CD2 TYR A 84 61.315 -0.412 -10.038 1.00 1.00 C ATOM 1241 CE1 TYR A 84 60.125 0.970 -12.163 1.00 1.00 C ATOM 1242 CE2 TYR A 84 59.956 -0.594 -10.317 1.00 1.00 C ATOM 1243 CZ TYR A 84 59.361 0.096 -11.380 1.00 1.00 C ATOM 1244 OH TYR A 84 58.020 -0.084 -11.655 1.00 1.00 O ATOM 0 H TYR A 84 65.268 -1.249 -10.067 1.00 1.00 H new ATOM 0 HA TYR A 84 63.764 -0.268 -12.460 1.00 1.00 H new ATOM 0 HB2 TYR A 84 63.783 0.255 -9.535 1.00 1.00 H new ATOM 0 HB3 TYR A 84 63.783 1.723 -10.493 1.00 1.00 H new ATOM 0 HD1 TYR A 84 62.073 1.828 -12.486 1.00 1.00 H new ATOM 0 HD2 TYR A 84 61.774 -0.945 -9.219 1.00 1.00 H new ATOM 0 HE1 TYR A 84 59.666 1.503 -12.983 1.00 1.00 H new ATOM 0 HE2 TYR A 84 59.366 -1.267 -9.712 1.00 1.00 H new ATOM 0 HH TYR A 84 57.638 -0.724 -11.018 1.00 1.00 H new ATOM 1254 N GLY A 85 66.732 0.350 -12.109 1.00 1.00 N ATOM 1255 CA GLY A 85 67.884 1.196 -12.534 1.00 1.00 C ATOM 1256 C GLY A 85 67.911 2.476 -11.695 1.00 1.00 C ATOM 1257 O GLY A 85 68.143 3.558 -12.196 1.00 1.00 O ATOM 0 H GLY A 85 66.960 -0.621 -11.894 1.00 1.00 H new ATOM 0 HA2 GLY A 85 68.818 0.647 -12.410 1.00 1.00 H new ATOM 0 HA3 GLY A 85 67.797 1.443 -13.592 1.00 1.00 H new ATOM 1261 N ILE A 86 67.670 2.356 -10.419 1.00 1.00 N ATOM 1262 CA ILE A 86 67.674 3.556 -9.536 1.00 1.00 C ATOM 1263 C ILE A 86 68.967 4.351 -9.742 1.00 1.00 C ATOM 1264 O ILE A 86 69.105 5.460 -9.264 1.00 1.00 O ATOM 1265 CB ILE A 86 67.585 3.102 -8.079 1.00 1.00 C ATOM 1266 CG1 ILE A 86 66.212 2.476 -7.824 1.00 1.00 C ATOM 1267 CG2 ILE A 86 67.774 4.307 -7.156 1.00 1.00 C ATOM 1268 CD1 ILE A 86 66.237 1.712 -6.499 1.00 1.00 C ATOM 0 H ILE A 86 67.469 1.474 -9.948 1.00 1.00 H new ATOM 0 HA ILE A 86 66.822 4.190 -9.782 1.00 1.00 H new ATOM 0 HB ILE A 86 68.364 2.366 -7.880 1.00 1.00 H new ATOM 0 HG12 ILE A 86 65.447 3.252 -7.794 1.00 1.00 H new ATOM 0 HG13 ILE A 86 65.951 1.802 -8.640 1.00 1.00 H new ATOM 0 HG21 ILE A 86 67.710 3.983 -6.117 1.00 1.00 H new ATOM 0 HG22 ILE A 86 68.751 4.755 -7.337 1.00 1.00 H new ATOM 0 HG23 ILE A 86 66.995 5.043 -7.355 1.00 1.00 H new ATOM 0 HD11 ILE A 86 65.259 1.266 -6.318 1.00 1.00 H new ATOM 0 HD12 ILE A 86 66.991 0.926 -6.546 1.00 1.00 H new ATOM 0 HD13 ILE A 86 66.479 2.399 -5.688 1.00 1.00 H new ATOM 1280 N CYS A 87 69.916 3.798 -10.444 1.00 1.00 N ATOM 1281 CA CYS A 87 71.194 4.531 -10.667 1.00 1.00 C ATOM 1282 C CYS A 87 70.923 5.787 -11.499 1.00 1.00 C ATOM 1283 CB CYS A 87 72.181 3.622 -11.406 1.00 1.00 C ATOM 1284 SG CYS A 87 73.729 3.527 -10.472 1.00 1.00 S ATOM 0 H CYS A 87 69.863 2.874 -10.872 1.00 1.00 H new ATOM 0 HA CYS A 87 71.622 4.821 -9.707 1.00 1.00 H new ATOM 0 HB2 CYS A 87 71.755 2.626 -11.526 1.00 1.00 H new ATOM 0 HB3 CYS A 87 72.371 4.011 -12.407 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 61.270 -12.077 10.420 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.768 -14.764 11.711 1.00 1.00 O HETATM 1292 O1H RCY A 110 57.745 -10.614 12.702 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.278 -9.234 10.414 1.00 1.00 O HETATM 1294 C1L RCY A 110 57.468 -13.943 11.557 1.00 1.00 C HETATM 1295 C1M RCY A 110 60.577 -10.895 13.858 1.00 1.00 C HETATM 1296 C1P RCY A 110 58.962 -13.854 11.896 1.00 1.00 C HETATM 1297 C1Q RCY A 110 57.961 -11.820 12.598 1.00 1.00 C HETATM 1298 N1R RCY A 110 59.323 -12.494 12.491 1.00 1.00 N HETATM 1299 C1S RCY A 110 56.913 -12.917 12.551 1.00 1.00 C HETATM 1300 C1U RCY A 110 60.695 -11.941 12.883 1.00 1.00 C HETATM 1301 C1V RCY A 110 62.889 -10.996 12.044 1.00 1.00 C HETATM 1302 N1V RCY A 110 60.644 -9.970 11.621 1.00 1.00 N HETATM 1303 C1W RCY A 110 60.332 -9.602 13.070 1.00 1.00 C HETATM 1304 C1X RCY A 110 61.421 -11.276 11.715 1.00 1.00 C HETATM 1305 C1Y RCY A 110 61.268 -8.491 13.554 1.00 1.00 C HETATM 1306 C1Z RCY A 110 58.872 -9.159 13.171 1.00 1.00 C HETATM 0 H1YB RCY A 110 61.088 -8.299 14.612 1.00 1.00 H new HETATM 0 H1YA RCY A 110 62.304 -8.800 13.412 1.00 1.00 H new HETATM 0 H1VB RCY A 110 63.422 -11.940 12.162 1.00 1.00 H new HETATM 0 H1VA RCY A 110 63.341 -10.423 11.234 1.00 1.00 H new HETATM 0 H1MA RCY A 110 59.755 -11.094 14.545 1.00 1.00 H new HETATM 0 H1LA RCY A 110 57.258 -13.676 10.521 1.00 1.00 H new HETATM 0 H1CB RCY A 110 61.688 -13.074 10.558 1.00 1.00 H new HETATM 0 H1CA RCY A 110 60.214 -12.158 10.164 1.00 1.00 H new HETATM 0 H1Z RCY A 110 58.730 -8.240 12.602 1.00 1.00 H new HETATM 0 H1Y RCY A 110 61.079 -7.582 12.983 1.00 1.00 H new HETATM 0 H1V RCY A 110 62.952 -10.425 12.971 1.00 1.00 H new HETATM 0 H1U RCY A 110 61.240 -12.810 13.252 1.00 1.00 H new HETATM 0 H1S RCY A 110 56.760 -13.361 13.535 1.00 1.00 H new HETATM 0 H1M RCY A 110 61.483 -10.819 14.459 1.00 1.00 H new HETATM 0 H1L RCY A 110 57.062 -14.942 11.718 1.00 1.00 H new HETATM 0 H1C RCY A 110 61.801 -11.570 9.614 1.00 1.00 H new HETATM 1309 C1C RCY A 121 60.699 8.690 2.943 1.00 1.00 C HETATM 1310 O1G RCY A 121 65.693 8.834 3.931 1.00 1.00 O HETATM 1311 O1H RCY A 121 61.412 7.086 4.886 1.00 1.00 O HETATM 1312 O1J RCY A 121 61.725 11.499 2.589 1.00 1.00 O HETATM 1313 C1L RCY A 121 64.577 8.179 6.007 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.118 8.697 1.529 1.00 1.00 C HETATM 1315 C1P RCY A 121 64.683 8.419 4.496 1.00 1.00 C HETATM 1316 C1Q RCY A 121 62.456 7.734 4.943 1.00 1.00 C HETATM 1317 N1R RCY A 121 63.377 8.078 3.779 1.00 1.00 N HETATM 1318 C1S RCY A 121 63.064 8.342 6.193 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.065 8.078 2.282 1.00 1.00 C HETATM 1320 C1V RCY A 121 61.365 8.658 0.497 1.00 1.00 C HETATM 1321 N1V RCY A 121 62.397 10.311 2.070 1.00 1.00 N HETATM 1322 C1W RCY A 121 63.826 10.202 1.543 1.00 1.00 C HETATM 1323 C1X RCY A 121 61.829 8.905 1.934 1.00 1.00 C HETATM 1324 C1Y RCY A 121 63.921 10.782 0.129 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.768 10.942 2.493 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.642 10.555 3.504 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 65.799 10.792 2.173 1.00 1.00 H new HETATM 0 H1YB RCY A 121 64.925 10.621 -0.264 1.00 1.00 H new HETATM 0 H1YA RCY A 121 63.195 10.288 -0.517 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.012 7.631 0.400 1.00 1.00 H new HETATM 0 H1VA RCY A 121 60.555 9.345 0.253 1.00 1.00 H new HETATM 0 H1MA RCY A 121 65.091 8.485 1.973 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.929 7.189 6.298 1.00 1.00 H new HETATM 0 H1CB RCY A 121 60.415 7.638 2.952 1.00 1.00 H new HETATM 0 H1CA RCY A 121 61.038 8.983 3.937 1.00 1.00 H new HETATM 0 H1Z RCY A 121 64.535 12.007 2.480 1.00 1.00 H new HETATM 0 H1Y RCY A 121 63.711 11.851 0.159 1.00 1.00 H new HETATM 0 H1V RCY A 121 62.198 8.821 -0.187 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.926 7.025 2.037 1.00 1.00 H new HETATM 0 H1S RCY A 121 62.788 9.391 6.298 1.00 1.00 H new HETATM 0 H1M RCY A 121 64.143 8.315 0.509 1.00 1.00 H new HETATM 0 H1L RCY A 121 65.149 8.904 6.586 1.00 1.00 H new HETATM 0 H1C RCY A 121 59.838 9.296 2.660 1.00 1.00 H new HETATM 1328 C1C RCY A 130 79.459 8.467 -2.942 1.00 1.00 C HETATM 1329 O1G RCY A 130 80.006 9.569 -1.149 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.466 13.723 -3.331 1.00 1.00 O HETATM 1331 O1J RCY A 130 77.152 8.560 -1.009 1.00 1.00 O HETATM 1332 C1L RCY A 130 80.889 11.811 -0.725 1.00 1.00 C HETATM 1333 C1M RCY A 130 77.182 11.281 -3.711 1.00 1.00 C HETATM 1334 C1P RCY A 130 80.095 10.747 -1.493 1.00 1.00 C HETATM 1335 C1Q RCY A 130 79.954 12.762 -2.739 1.00 1.00 C HETATM 1336 N1R RCY A 130 79.428 11.332 -2.737 1.00 1.00 N HETATM 1337 C1S RCY A 130 81.198 12.784 -1.869 1.00 1.00 C HETATM 1338 C1U RCY A 130 78.477 10.663 -3.732 1.00 1.00 C HETATM 1339 C1V RCY A 130 77.490 8.475 -4.538 1.00 1.00 C HETATM 1340 N1V RCY A 130 77.242 9.378 -2.215 1.00 1.00 N HETATM 1341 C1W RCY A 130 76.403 10.601 -2.579 1.00 1.00 C HETATM 1342 C1X RCY A 130 78.194 9.201 -3.390 1.00 1.00 C HETATM 1343 C1Y RCY A 130 75.014 10.172 -3.063 1.00 1.00 C HETATM 1344 C1Z RCY A 130 76.290 11.512 -1.357 1.00 1.00 C HETATM 0 H1ZB RCY A 130 77.288 11.757 -0.992 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 75.769 12.429 -1.634 1.00 1.00 H new HETATM 0 H1YB RCY A 130 74.458 11.048 -3.397 1.00 1.00 H new HETATM 0 H1YA RCY A 130 75.118 9.471 -3.891 1.00 1.00 H new HETATM 0 H1VB RCY A 130 78.164 8.405 -5.392 1.00 1.00 H new HETATM 0 H1VA RCY A 130 77.207 7.473 -4.216 1.00 1.00 H new HETATM 0 H1MA RCY A 130 77.265 12.354 -3.537 1.00 1.00 H new HETATM 0 H1LA RCY A 130 80.305 12.274 0.071 1.00 1.00 H new HETATM 0 H1CB RCY A 130 80.198 8.494 -3.743 1.00 1.00 H new HETATM 0 H1CA RCY A 130 79.867 8.953 -2.055 1.00 1.00 H new HETATM 0 H1Z RCY A 130 75.732 11.001 -0.572 1.00 1.00 H new HETATM 0 H1Y RCY A 130 74.476 9.691 -2.246 1.00 1.00 H new HETATM 0 H1V RCY A 130 76.597 9.029 -4.826 1.00 1.00 H new HETATM 0 H1U RCY A 130 78.981 10.759 -4.693 1.00 1.00 H new HETATM 0 H1S RCY A 130 82.079 12.470 -2.429 1.00 1.00 H new HETATM 0 H1M RCY A 130 76.673 11.152 -4.666 1.00 1.00 H new HETATM 0 H1L RCY A 130 81.791 11.408 -0.265 1.00 1.00 H new HETATM 0 H1C RCY A 130 79.215 7.431 -2.708 1.00 1.00 H new HETATM 1347 C1C RCY A 138 81.728 0.481 -6.758 1.00 1.00 C HETATM 1348 O1G RCY A 138 84.386 4.758 -4.572 1.00 1.00 O HETATM 1349 O1H RCY A 138 81.842 2.891 -8.085 1.00 1.00 O HETATM 1350 O1J RCY A 138 82.028 -1.418 -4.440 1.00 1.00 O HETATM 1351 C1L RCY A 138 83.300 5.715 -6.545 1.00 1.00 C HETATM 1352 C1M RCY A 138 83.802 1.963 -4.075 1.00 1.00 C HETATM 1353 C1P RCY A 138 83.741 4.585 -5.605 1.00 1.00 C HETATM 1354 C1Q RCY A 138 82.644 3.574 -7.449 1.00 1.00 C HETATM 1355 N1R RCY A 138 83.279 3.220 -6.111 1.00 1.00 N HETATM 1356 C1S RCY A 138 83.184 4.932 -7.858 1.00 1.00 C HETATM 1357 C1U RCY A 138 83.414 1.846 -5.452 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.960 1.942 -4.833 1.00 1.00 C HETATM 1359 N1V RCY A 138 82.457 -0.022 -4.416 1.00 1.00 N HETATM 1360 C1W RCY A 138 83.373 0.655 -3.398 1.00 1.00 C HETATM 1361 C1X RCY A 138 82.092 1.081 -5.399 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.611 0.945 -2.102 1.00 1.00 C HETATM 1363 C1Z RCY A 138 84.575 -0.250 -3.126 1.00 1.00 C HETATM 0 H1ZB RCY A 138 85.068 -0.493 -4.067 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 85.277 0.265 -2.471 1.00 1.00 H new HETATM 0 H1YB RCY A 138 83.253 1.502 -1.419 1.00 1.00 H new HETATM 0 H1YA RCY A 138 81.722 1.534 -2.327 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.747 2.760 -5.521 1.00 1.00 H new HETATM 0 H1VA RCY A 138 80.066 1.331 -4.707 1.00 1.00 H new HETATM 0 H1MA RCY A 138 84.878 2.114 -3.985 1.00 1.00 H new HETATM 0 H1LA RCY A 138 82.355 6.165 -6.242 1.00 1.00 H new HETATM 0 H1CB RCY A 138 81.632 1.279 -7.494 1.00 1.00 H new HETATM 0 H1CA RCY A 138 82.510 -0.210 -7.072 1.00 1.00 H new HETATM 0 H1Z RCY A 138 84.238 -1.169 -2.646 1.00 1.00 H new HETATM 0 H1Y RCY A 138 82.315 0.005 -1.636 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.260 2.349 -3.867 1.00 1.00 H new HETATM 0 H1U RCY A 138 84.154 1.327 -6.062 1.00 1.00 H new HETATM 0 H1S RCY A 138 84.151 4.841 -8.352 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.320 2.821 -3.606 1.00 1.00 H new HETATM 0 H1L RCY A 138 84.032 6.520 -6.602 1.00 1.00 H new HETATM 0 H1C RCY A 138 80.782 -0.054 -6.678 1.00 1.00 H new HETATM 1366 C1C RCY A 150 80.331 2.376 -0.427 1.00 1.00 C HETATM 1367 O1G RCY A 150 81.775 1.652 1.034 1.00 1.00 O HETATM 1368 O1H RCY A 150 85.300 1.858 -2.102 1.00 1.00 O HETATM 1369 O1J RCY A 150 81.136 4.575 1.466 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.943 0.527 0.874 1.00 1.00 C HETATM 1371 C1M RCY A 150 83.102 4.395 -1.822 1.00 1.00 C HETATM 1372 C1P RCY A 150 82.816 1.458 0.408 1.00 1.00 C HETATM 1373 C1Q RCY A 150 84.466 1.446 -1.297 1.00 1.00 C HETATM 1374 N1R RCY A 150 83.147 2.114 -0.932 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.565 0.170 -0.480 1.00 1.00 C HETATM 1376 C1U RCY A 150 82.363 3.169 -1.714 1.00 1.00 C HETATM 1377 C1V RCY A 150 80.163 4.404 -1.940 1.00 1.00 C HETATM 1378 N1V RCY A 150 81.623 4.458 0.094 1.00 1.00 N HETATM 1379 C1W RCY A 150 82.804 5.187 -0.543 1.00 1.00 C HETATM 1380 C1X RCY A 150 81.066 3.581 -1.019 1.00 1.00 C HETATM 1381 C1Y RCY A 150 82.422 6.631 -0.882 1.00 1.00 C HETATM 1382 C1Z RCY A 150 83.991 5.156 0.419 1.00 1.00 C HETATM 0 H1ZB RCY A 150 84.210 4.124 0.694 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 84.863 5.595 -0.065 1.00 1.00 H new HETATM 0 H1YB RCY A 150 83.246 7.111 -1.411 1.00 1.00 H new HETATM 0 H1YA RCY A 150 81.534 6.634 -1.514 1.00 1.00 H new HETATM 0 H1VB RCY A 150 79.815 3.779 -2.762 1.00 1.00 H new HETATM 0 H1VA RCY A 150 79.306 4.771 -1.376 1.00 1.00 H new HETATM 0 H1MA RCY A 150 84.170 4.199 -1.919 1.00 1.00 H new HETATM 0 H1LA RCY A 150 84.648 1.026 1.539 1.00 1.00 H new HETATM 0 H1CB RCY A 150 80.084 1.673 -1.223 1.00 1.00 H new HETATM 0 H1CA RCY A 150 80.970 1.884 0.306 1.00 1.00 H new HETATM 0 H1V RCY A 150 80.724 5.249 -2.339 1.00 1.00 H new HETATM 0 H1U RCY A 150 82.170 2.699 -2.678 1.00 1.00 H new HETATM 0 H1S RCY A 150 84.029 -0.649 -0.959 1.00 1.00 H new HETATM 0 H1M RCY A 150 82.799 4.955 -2.707 1.00 1.00 H new HETATM 0 H1L RCY A 150 83.569 -0.348 1.405 1.00 1.00 H new HETATM 0 H1C RCY A 150 79.414 2.711 0.058 1.00 1.00 H new HETATM 1385 C1C RCY A 160 76.814 4.676 2.312 1.00 1.00 C HETATM 1386 O1G RCY A 160 77.457 3.209 4.506 1.00 1.00 O HETATM 1387 O1H RCY A 160 73.557 4.637 6.754 1.00 1.00 O HETATM 1388 O1J RCY A 160 76.421 7.463 1.239 1.00 1.00 O HETATM 1389 C1L RCY A 160 76.327 2.458 6.542 1.00 1.00 C HETATM 1390 C1M RCY A 160 74.910 6.771 4.695 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.544 3.355 5.317 1.00 1.00 C HETATM 1392 C1Q RCY A 160 74.696 4.237 6.515 1.00 1.00 C HETATM 1393 N1R RCY A 160 75.483 4.451 5.228 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.578 3.436 7.454 1.00 1.00 C HETATM 1395 C1U RCY A 160 75.260 5.498 4.135 1.00 1.00 C HETATM 1396 C1V RCY A 160 77.726 6.066 4.227 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.097 7.058 2.604 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.255 7.817 3.628 1.00 1.00 C HETATM 1399 C1X RCY A 160 76.523 5.786 3.324 1.00 1.00 C HETATM 1400 C1Y RCY A 160 76.062 8.966 4.240 1.00 1.00 C HETATM 1401 C1Z RCY A 160 73.995 8.349 2.944 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.466 7.526 2.464 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.346 8.813 3.687 1.00 1.00 H new HETATM 0 H1YB RCY A 160 75.477 9.444 5.026 1.00 1.00 H new HETATM 0 H1YA RCY A 160 76.987 8.576 4.663 1.00 1.00 H new HETATM 0 H1VB RCY A 160 77.986 5.162 4.778 1.00 1.00 H new HETATM 0 H1VA RCY A 160 78.575 6.375 3.617 1.00 1.00 H new HETATM 0 H1MA RCY A 160 73.850 6.807 4.947 1.00 1.00 H new HETATM 0 H1LA RCY A 160 75.739 1.570 6.310 1.00 1.00 H new HETATM 0 H1CB RCY A 160 76.953 3.732 2.838 1.00 1.00 H new HETATM 0 H1CA RCY A 160 75.977 4.586 1.620 1.00 1.00 H new HETATM 0 H1Z RCY A 160 74.273 9.088 2.193 1.00 1.00 H new HETATM 0 H1Y RCY A 160 76.297 9.698 3.467 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.476 6.860 4.930 1.00 1.00 H new HETATM 0 H1U RCY A 160 74.472 5.074 3.513 1.00 1.00 H new HETATM 0 H1S RCY A 160 76.269 4.082 7.996 1.00 1.00 H new HETATM 0 H1M RCY A 160 75.463 6.957 5.616 1.00 1.00 H new HETATM 0 H1L RCY A 160 77.265 2.114 6.979 1.00 1.00 H new HETATM 0 H1C RCY A 160 77.720 4.919 1.756 1.00 1.00 H new HETATM 1404 C1C RCY A 168 76.806 -0.557 4.210 1.00 1.00 C HETATM 1405 O1G RCY A 168 74.357 -2.621 0.435 1.00 1.00 O HETATM 1406 O1H RCY A 168 75.863 -3.233 4.869 1.00 1.00 O HETATM 1407 O1J RCY A 168 77.593 0.488 1.497 1.00 1.00 O HETATM 1408 C1L RCY A 168 75.387 -4.505 1.609 1.00 1.00 C HETATM 1409 C1M RCY A 168 73.864 -0.264 1.984 1.00 1.00 C HETATM 1410 C1P RCY A 168 74.856 -3.073 1.464 1.00 1.00 C HETATM 1411 C1Q RCY A 168 75.779 -3.262 3.642 1.00 1.00 C HETATM 1412 N1R RCY A 168 75.022 -2.278 2.758 1.00 1.00 N HETATM 1413 C1S RCY A 168 76.415 -4.291 2.725 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.555 -0.860 3.092 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.231 1.415 3.975 1.00 1.00 C HETATM 1416 N1V RCY A 168 76.212 0.328 1.943 1.00 1.00 N HETATM 1417 C1W RCY A 168 74.946 0.353 1.089 1.00 1.00 C HETATM 1418 C1X RCY A 168 75.713 0.098 3.363 1.00 1.00 C HETATM 1419 C1Y RCY A 168 74.580 1.792 0.716 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.174 -0.488 -0.168 1.00 1.00 C HETATM 0 H1ZB RCY A 168 75.491 -1.491 0.118 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 74.247 -0.549 -0.738 1.00 1.00 H new HETATM 0 H1YB RCY A 168 73.632 1.799 0.179 1.00 1.00 H new HETATM 0 H1YA RCY A 168 74.488 2.391 1.622 1.00 1.00 H new HETATM 0 H1VB RCY A 168 74.826 1.227 4.969 1.00 1.00 H new HETATM 0 H1VA RCY A 168 76.068 2.110 4.049 1.00 1.00 H new HETATM 0 H1MA RCY A 168 73.286 -1.010 1.439 1.00 1.00 H new HETATM 0 H1LA RCY A 168 74.607 -5.213 1.890 1.00 1.00 H new HETATM 0 H1CB RCY A 168 76.388 -0.867 5.168 1.00 1.00 H new HETATM 0 H1CA RCY A 168 77.199 -1.429 3.686 1.00 1.00 H new HETATM 0 H1Z RCY A 168 75.947 -0.024 -0.781 1.00 1.00 H new HETATM 0 H1Y RCY A 168 75.360 2.213 0.081 1.00 1.00 H new HETATM 0 H1V RCY A 168 74.455 1.848 3.343 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.925 -0.985 3.972 1.00 1.00 H new HETATM 0 H1S RCY A 168 77.364 -3.933 2.326 1.00 1.00 H new HETATM 0 H1M RCY A 168 73.161 0.496 2.326 1.00 1.00 H new HETATM 0 H1L RCY A 168 75.840 -4.877 0.690 1.00 1.00 H new HETATM 0 H1C RCY A 168 77.611 0.157 4.380 1.00 1.00 H new HETATM 1423 C1C RCY A 173 72.092 -4.096 0.569 1.00 1.00 C HETATM 1424 O1G RCY A 173 69.249 -4.851 -1.737 1.00 1.00 O HETATM 1425 O1H RCY A 173 73.437 -5.158 -3.898 1.00 1.00 O HETATM 1426 O1J RCY A 173 72.143 -1.175 1.299 1.00 1.00 O HETATM 1427 C1L RCY A 173 70.179 -6.415 -3.373 1.00 1.00 C HETATM 1428 C1M RCY A 173 71.522 -1.965 -2.402 1.00 1.00 C HETATM 1429 C1P RCY A 173 70.185 -5.180 -2.464 1.00 1.00 C HETATM 1430 C1Q RCY A 173 72.228 -5.173 -3.671 1.00 1.00 C HETATM 1431 N1R RCY A 173 71.499 -4.408 -2.574 1.00 1.00 N HETATM 1432 C1S RCY A 173 71.183 -5.962 -4.439 1.00 1.00 C HETATM 1433 C1U RCY A 173 71.971 -3.182 -1.789 1.00 1.00 C HETATM 1434 C1V RCY A 173 69.872 -3.321 -0.380 1.00 1.00 C HETATM 1435 N1V RCY A 173 71.732 -1.685 -0.006 1.00 1.00 N HETATM 1436 C1W RCY A 173 71.549 -0.897 -1.301 1.00 1.00 C HETATM 1437 C1X RCY A 173 71.389 -3.121 -0.378 1.00 1.00 C HETATM 1438 C1Y RCY A 173 70.231 -0.119 -1.273 1.00 1.00 C HETATM 1439 C1Z RCY A 173 72.733 0.054 -1.479 1.00 1.00 C HETATM 0 H1ZB RCY A 173 73.664 -0.512 -1.436 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 72.656 0.554 -2.445 1.00 1.00 H new HETATM 0 H1YB RCY A 173 70.076 0.370 -2.235 1.00 1.00 H new HETATM 0 H1YA RCY A 173 69.407 -0.806 -1.078 1.00 1.00 H new HETATM 0 H1VB RCY A 173 69.639 -4.336 -0.701 1.00 1.00 H new HETATM 0 H1VA RCY A 173 69.483 -3.160 0.625 1.00 1.00 H new HETATM 0 H1LA RCY A 173 70.501 -7.317 -2.853 1.00 1.00 H new HETATM 0 H1CB RCY A 173 71.977 -5.113 0.195 1.00 1.00 H new HETATM 0 H1CA RCY A 173 73.152 -3.848 0.625 1.00 1.00 H new HETATM 0 H1Z RCY A 173 72.724 0.799 -0.683 1.00 1.00 H new HETATM 0 H1Y RCY A 173 70.270 0.634 -0.486 1.00 1.00 H new HETATM 0 H1V RCY A 173 69.412 -2.609 -1.065 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.057 -3.276 -1.771 1.00 1.00 H new HETATM 0 H1S RCY A 173 70.703 -5.347 -5.200 1.00 1.00 H new HETATM 0 H1M RCY A 173 70.517 -2.081 -2.808 1.00 1.00 H new HETATM 0 H1L RCY A 173 69.193 -6.622 -3.789 1.00 1.00 H new HETATM 0 H1C RCY A 173 71.649 -4.022 1.562 1.00 1.00 H new HETATM 1442 C1C RCY A 176 72.133 -3.453 -3.439 1.00 1.00 C HETATM 1443 O1G RCY A 176 74.352 -0.851 -7.553 1.00 1.00 O HETATM 1444 O1H RCY A 176 73.400 -5.039 -5.589 1.00 1.00 O HETATM 1445 O1J RCY A 176 71.919 -1.091 -1.583 1.00 1.00 O HETATM 1446 C1L RCY A 176 74.115 -3.111 -8.460 1.00 1.00 C HETATM 1447 C1M RCY A 176 74.069 -0.569 -4.716 1.00 1.00 C HETATM 1448 C1P RCY A 176 74.163 -2.050 -7.353 1.00 1.00 C HETATM 1449 C1Q RCY A 176 73.883 -4.155 -6.295 1.00 1.00 C HETATM 1450 N1R RCY A 176 73.948 -2.667 -5.972 1.00 1.00 N HETATM 1451 C1S RCY A 176 74.528 -4.348 -7.655 1.00 1.00 C HETATM 1452 C1U RCY A 176 73.826 -1.979 -4.611 1.00 1.00 C HETATM 1453 C1V RCY A 176 71.353 -1.648 -5.040 1.00 1.00 C HETATM 1454 N1V RCY A 176 72.523 -1.036 -2.912 1.00 1.00 N HETATM 1455 C1W RCY A 176 73.399 0.072 -3.493 1.00 1.00 C HETATM 1456 C1X RCY A 176 72.418 -2.069 -4.025 1.00 1.00 C HETATM 1457 C1Y RCY A 176 72.541 1.268 -3.915 1.00 1.00 C HETATM 1458 C1Z RCY A 176 74.434 0.491 -2.449 1.00 1.00 C HETATM 0 H1ZB RCY A 176 74.993 -0.385 -2.119 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 75.120 1.215 -2.887 1.00 1.00 H new HETATM 0 H1VA RCY A 176 70.378 -1.618 -4.553 1.00 1.00 H new HETATM 0 H1LA RCY A 176 73.123 -3.211 -8.899 1.00 1.00 H new HETATM 0 H1Z RCY A 176 73.928 0.942 -1.595 1.00 1.00 H new HETATM 0 H1U RCY A 176 74.554 -2.493 -3.984 1.00 1.00 H new HETATM 0 H1S RCY A 176 75.612 -4.423 -7.572 1.00 1.00 H new HETATM 0 H1L RCY A 176 74.805 -2.895 -9.276 1.00 1.00 H new HETATM 1461 C1C RCY A 187 70.845 1.605 -4.350 1.00 1.00 C HETATM 1462 O1G RCY A 187 70.251 3.252 -6.699 1.00 1.00 O HETATM 1463 O1H RCY A 187 73.638 0.908 -9.009 1.00 1.00 O HETATM 1464 O1J RCY A 187 71.620 -0.982 -3.016 1.00 1.00 O HETATM 1465 C1L RCY A 187 71.625 3.787 -8.652 1.00 1.00 C HETATM 1466 C1M RCY A 187 72.706 -0.594 -6.673 1.00 1.00 C HETATM 1467 C1P RCY A 187 71.154 2.930 -7.470 1.00 1.00 C HETATM 1468 C1Q RCY A 187 72.985 1.800 -8.470 1.00 1.00 C HETATM 1469 N1R RCY A 187 71.947 1.628 -7.368 1.00 1.00 N HETATM 1470 C1S RCY A 187 73.066 3.283 -8.784 1.00 1.00 C HETATM 1471 C1U RCY A 187 71.757 0.450 -6.410 1.00 1.00 C HETATM 1472 C1V RCY A 187 73.343 1.566 -4.781 1.00 1.00 C HETATM 1473 N1V RCY A 187 72.102 -0.562 -4.328 1.00 1.00 N HETATM 1474 C1W RCY A 187 72.805 -1.415 -5.382 1.00 1.00 C HETATM 1475 C1X RCY A 187 72.015 0.824 -4.952 1.00 1.00 C HETATM 1476 C1Y RCY A 187 74.271 -1.640 -4.998 1.00 1.00 C HETATM 1477 C1Z RCY A 187 72.073 -2.751 -5.515 1.00 1.00 C HETATM 0 H1ZA RCY A 187 72.514 -3.328 -6.327 1.00 1.00 H new HETATM 0 H1VB RCY A 187 73.286 2.534 -5.279 1.00 1.00 H new HETATM 0 H1MA RCY A 187 72.380 -1.216 -7.506 1.00 1.00 H new HETATM 0 H1LA RCY A 187 71.038 3.613 -9.554 1.00 1.00 H new HETATM 0 H1CB RCY A 187 70.691 2.523 -4.916 1.00 1.00 H new HETATM 0 H1CA RCY A 187 69.941 0.997 -4.392 1.00 1.00 H new HETATM 0 H1V RCY A 187 74.148 0.978 -5.222 1.00 1.00 H new HETATM 0 H1U RCY A 187 70.724 0.139 -6.567 1.00 1.00 H new HETATM 0 H1S RCY A 187 73.731 3.799 -8.091 1.00 1.00 H new HETATM 0 H1M RCY A 187 73.676 -0.179 -6.946 1.00 1.00 H new HETATM 0 H1L RCY A 187 71.574 4.855 -8.440 1.00 1.00 H new