USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 31 LYS H : A 31 LYS N : A 130 RCY N1R :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CA : A 110 RCY C1C : A 9 GLU CB :(H bumps) USER MOD NoAdj-H: A 110 RCY H1U : A 110 RCY C1U : A 9 GLU CB :(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 RCYH1YA : A 130 RCY C1Y : A 31 LYS CE :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VB : A 130 RCY C1V : A 31 LYS CB :(H bumps) USER MOD NoAdj-H: A 130 RCYH1VA : A 130 RCY C1V : A 31 LYS CD :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1LA : A 130 RCY C1L : A 31 LYS O :(H bumps) USER MOD NoAdj-H: A 130 RCY H1Y : A 130 RCY C1Y : A 31 LYS CE :(H bumps) USER MOD NoAdj-H: A 130 RCY H1V : A 130 RCY C1V : A 31 LYS CD :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YB : A 138 RCY C1Y : A 86 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1YA : A 138 RCY C1Y : A 86 ILE CG1 :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCY H1Y : A 138 RCY C1Y : A 86 ILE CD1 :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 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 176 RCYH1VB : A 176 RCY C1V : A 86 ILE O :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 187 RCY C1Y :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YB : A 187 RCY C1Y : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1YA : A 187 RCY C1Y : A 176 RCY C1Q :(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 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCY H1Y : A 187 RCY C1Y : A 76 CYS SG :(H bumps) USER MOD Set 1.1: A 75 HIS : no HD1:sc= -2.37 K(o=-8.6,f=-12!) USER MOD Set 1.2: A 79 HIS :FLIP no HD1:sc= -6.23! C(o=-12!,f=-8.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00953 X(o=-0.0095,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.134 (180deg=-0.796) USER MOD Single : A 12 SER OG : rot 180:sc= -0.346 USER MOD Single : A 14 THR OG1 : rot -22:sc= 0.452 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 32 GLN : amide:sc= -2.56! C(o=-2.6!,f=-12!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 37 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.52) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -63:sc= 0.243 USER MOD Single : A 41 LYS NZ :NH3+ -128:sc= 1.08 (180deg=-0.926) USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= -3.33! (180deg=-5.11!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.812! C(o=-2!,f=-0.81!) USER MOD Single : A 57 MET CE :methyl -164:sc= 0 (180deg=-0.416) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.509 USER MOD Single : A 74 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.29) USER MOD Single : A 83 GLN : amide:sc= -2.21! C(o=-2.2!,f=-2.4!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 95.137 -0.235 14.848 1.00 1.00 N ATOM 2 CA MET A 1 94.873 0.609 13.649 1.00 1.00 C ATOM 3 C MET A 1 93.732 1.582 13.952 1.00 1.00 C ATOM 4 O MET A 1 92.572 1.222 13.922 1.00 1.00 O ATOM 5 CB MET A 1 94.483 -0.286 12.470 1.00 1.00 C ATOM 6 CG MET A 1 94.616 0.500 11.164 1.00 1.00 C ATOM 7 SD MET A 1 96.367 0.683 10.745 1.00 1.00 S ATOM 8 CE MET A 1 96.179 0.610 8.947 1.00 1.00 C ATOM 0 H1 MET A 1 95.913 -0.897 14.643 1.00 1.00 H new ATOM 0 H2 MET A 1 95.403 0.373 15.649 1.00 1.00 H new ATOM 0 H3 MET A 1 94.280 -0.771 15.091 1.00 1.00 H new ATOM 0 HA MET A 1 95.772 1.171 13.395 1.00 1.00 H new ATOM 0 HB2 MET A 1 95.123 -1.168 12.442 1.00 1.00 H new ATOM 0 HB3 MET A 1 93.459 -0.639 12.591 1.00 1.00 H new ATOM 0 HG2 MET A 1 94.091 -0.017 10.361 1.00 1.00 H new ATOM 0 HG3 MET A 1 94.152 1.481 11.268 1.00 1.00 H new ATOM 0 HE1 MET A 1 97.157 0.705 8.475 1.00 1.00 H new ATOM 0 HE2 MET A 1 95.732 -0.344 8.666 1.00 1.00 H new ATOM 0 HE3 MET A 1 95.535 1.424 8.615 1.00 1.00 H new ATOM 17 N ASN A 2 94.051 2.813 14.244 1.00 1.00 N ATOM 18 CA ASN A 2 92.985 3.810 14.550 1.00 1.00 C ATOM 19 C ASN A 2 92.187 3.344 15.771 1.00 1.00 C ATOM 20 O ASN A 2 92.038 2.164 16.014 1.00 1.00 O ATOM 21 CB ASN A 2 92.051 3.944 13.343 1.00 1.00 C ATOM 22 CG ASN A 2 91.307 5.278 13.420 1.00 1.00 C ATOM 23 OD1 ASN A 2 90.112 5.309 13.637 1.00 1.00 O ATOM 24 ND2 ASN A 2 91.967 6.391 13.249 1.00 1.00 N ATOM 0 H ASN A 2 95.005 3.172 14.284 1.00 1.00 H new ATOM 0 HA ASN A 2 93.439 4.777 14.764 1.00 1.00 H new ATOM 0 HB2 ASN A 2 92.625 3.888 12.418 1.00 1.00 H new ATOM 0 HB3 ASN A 2 91.339 3.119 13.327 1.00 1.00 H new ATOM 0 HD21 ASN A 2 91.479 7.286 13.298 1.00 1.00 H new ATOM 0 HD22 ASN A 2 92.970 6.366 13.067 1.00 1.00 H new ATOM 31 N LEU A 3 91.676 4.264 16.542 1.00 1.00 N ATOM 32 CA LEU A 3 90.891 3.874 17.748 1.00 1.00 C ATOM 33 C LEU A 3 89.744 2.947 17.338 1.00 1.00 C ATOM 34 O LEU A 3 89.249 3.007 16.230 1.00 1.00 O ATOM 35 CB LEU A 3 90.317 5.127 18.418 1.00 1.00 C ATOM 36 CG LEU A 3 91.395 6.209 18.502 1.00 1.00 C ATOM 37 CD1 LEU A 3 91.196 7.219 17.371 1.00 1.00 C ATOM 38 CD2 LEU A 3 91.291 6.927 19.849 1.00 1.00 C ATOM 0 H LEU A 3 91.768 5.268 16.390 1.00 1.00 H new ATOM 0 HA LEU A 3 91.545 3.355 18.449 1.00 1.00 H new ATOM 0 HB2 LEU A 3 89.463 5.495 17.850 1.00 1.00 H new ATOM 0 HB3 LEU A 3 89.955 4.883 19.417 1.00 1.00 H new ATOM 0 HG LEU A 3 92.379 5.749 18.408 1.00 1.00 H new ATOM 0 HD11 LEU A 3 91.965 7.989 17.432 1.00 1.00 H new ATOM 0 HD12 LEU A 3 91.269 6.709 16.411 1.00 1.00 H new ATOM 0 HD13 LEU A 3 90.212 7.680 17.463 1.00 1.00 H new ATOM 0 HD21 LEU A 3 92.059 7.698 19.910 1.00 1.00 H new ATOM 0 HD22 LEU A 3 90.307 7.386 19.941 1.00 1.00 H new ATOM 0 HD23 LEU A 3 91.433 6.209 20.656 1.00 1.00 H new ATOM 50 N GLU A 4 89.315 2.094 18.227 1.00 1.00 N ATOM 51 CA GLU A 4 88.198 1.164 17.898 1.00 1.00 C ATOM 52 C GLU A 4 86.976 1.981 17.461 1.00 1.00 C ATOM 53 O GLU A 4 86.865 3.152 17.766 1.00 1.00 O ATOM 54 CB GLU A 4 87.854 0.334 19.143 1.00 1.00 C ATOM 55 CG GLU A 4 88.566 -1.018 19.068 1.00 1.00 C ATOM 56 CD GLU A 4 88.510 -1.701 20.436 1.00 1.00 C ATOM 57 OE1 GLU A 4 89.033 -1.134 21.381 1.00 1.00 O ATOM 58 OE2 GLU A 4 87.946 -2.780 20.515 1.00 1.00 O ATOM 0 H GLU A 4 89.691 2.001 19.170 1.00 1.00 H new ATOM 0 HA GLU A 4 88.492 0.496 17.089 1.00 1.00 H new ATOM 0 HB2 GLU A 4 88.158 0.867 20.044 1.00 1.00 H new ATOM 0 HB3 GLU A 4 86.776 0.186 19.208 1.00 1.00 H new ATOM 0 HG2 GLU A 4 88.093 -1.649 18.315 1.00 1.00 H new ATOM 0 HG3 GLU A 4 89.603 -0.879 18.761 1.00 1.00 H new ATOM 65 N PRO A 5 86.064 1.365 16.753 1.00 1.00 N ATOM 66 CA PRO A 5 84.830 2.036 16.266 1.00 1.00 C ATOM 67 C PRO A 5 84.304 3.078 17.264 1.00 1.00 C ATOM 68 O PRO A 5 84.584 3.008 18.445 1.00 1.00 O ATOM 69 CB PRO A 5 83.851 0.871 16.119 1.00 1.00 C ATOM 70 CG PRO A 5 84.702 -0.306 15.766 1.00 1.00 C ATOM 71 CD PRO A 5 86.101 -0.047 16.340 1.00 1.00 C ATOM 0 HA PRO A 5 84.990 2.595 15.344 1.00 1.00 H new ATOM 0 HB2 PRO A 5 83.302 0.698 17.044 1.00 1.00 H new ATOM 0 HB3 PRO A 5 83.113 1.071 15.343 1.00 1.00 H new ATOM 0 HG2 PRO A 5 84.281 -1.222 16.179 1.00 1.00 H new ATOM 0 HG3 PRO A 5 84.748 -0.436 14.685 1.00 1.00 H new ATOM 0 HD2 PRO A 5 86.313 -0.704 17.184 1.00 1.00 H new ATOM 0 HD3 PRO A 5 86.877 -0.224 15.595 1.00 1.00 H new ATOM 79 N PRO A 6 83.554 4.041 16.791 1.00 1.00 N ATOM 80 CA PRO A 6 82.988 5.119 17.656 1.00 1.00 C ATOM 81 C PRO A 6 81.996 4.575 18.690 1.00 1.00 C ATOM 82 O PRO A 6 81.409 3.526 18.513 1.00 1.00 O ATOM 83 CB PRO A 6 82.282 6.060 16.669 1.00 1.00 C ATOM 84 CG PRO A 6 82.041 5.245 15.442 1.00 1.00 C ATOM 85 CD PRO A 6 83.160 4.205 15.383 1.00 1.00 C ATOM 0 HA PRO A 6 83.764 5.614 18.240 1.00 1.00 H new ATOM 0 HB2 PRO A 6 81.345 6.432 17.083 1.00 1.00 H new ATOM 0 HB3 PRO A 6 82.900 6.930 16.447 1.00 1.00 H new ATOM 0 HG2 PRO A 6 81.065 4.762 15.483 1.00 1.00 H new ATOM 0 HG3 PRO A 6 82.049 5.874 14.551 1.00 1.00 H new ATOM 0 HD2 PRO A 6 82.812 3.266 14.952 1.00 1.00 H new ATOM 0 HD3 PRO A 6 83.994 4.548 14.771 1.00 1.00 H new ATOM 93 N LYS A 7 81.807 5.285 19.770 1.00 1.00 N ATOM 94 CA LYS A 7 80.858 4.818 20.821 1.00 1.00 C ATOM 95 C LYS A 7 79.472 5.411 20.558 1.00 1.00 C ATOM 96 O LYS A 7 79.124 6.452 21.077 1.00 1.00 O ATOM 97 CB LYS A 7 81.356 5.279 22.194 1.00 1.00 C ATOM 98 CG LYS A 7 82.651 4.543 22.544 1.00 1.00 C ATOM 99 CD LYS A 7 83.492 5.407 23.485 1.00 1.00 C ATOM 100 CE LYS A 7 82.691 5.714 24.751 1.00 1.00 C ATOM 101 NZ LYS A 7 82.197 4.440 25.347 1.00 1.00 N ATOM 0 H LYS A 7 82.271 6.171 19.970 1.00 1.00 H new ATOM 0 HA LYS A 7 80.797 3.730 20.800 1.00 1.00 H new ATOM 0 HB2 LYS A 7 81.528 6.355 22.187 1.00 1.00 H new ATOM 0 HB3 LYS A 7 80.598 5.082 22.952 1.00 1.00 H new ATOM 0 HG2 LYS A 7 82.422 3.588 23.017 1.00 1.00 H new ATOM 0 HG3 LYS A 7 83.213 4.322 21.636 1.00 1.00 H new ATOM 0 HD2 LYS A 7 84.415 4.889 23.743 1.00 1.00 H new ATOM 0 HD3 LYS A 7 83.775 6.335 22.988 1.00 1.00 H new ATOM 0 HE2 LYS A 7 83.315 6.246 25.469 1.00 1.00 H new ATOM 0 HE3 LYS A 7 81.851 6.367 24.514 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 81.942 4.598 26.343 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 81.360 4.113 24.823 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 82.944 3.718 25.291 1.00 1.00 H new ATOM 115 N ALA A 8 78.678 4.756 19.755 1.00 1.00 N ATOM 116 CA ALA A 8 77.315 5.282 19.458 1.00 1.00 C ATOM 117 C ALA A 8 76.656 4.411 18.385 1.00 1.00 C ATOM 118 O ALA A 8 76.672 4.735 17.214 1.00 1.00 O ATOM 119 CB ALA A 8 77.423 6.725 18.953 1.00 1.00 C ATOM 0 H ALA A 8 78.915 3.879 19.292 1.00 1.00 H new ATOM 0 HA ALA A 8 76.710 5.260 20.365 1.00 1.00 H new ATOM 0 HB1 ALA A 8 76.427 7.110 18.736 1.00 1.00 H new ATOM 0 HB2 ALA A 8 77.892 7.344 19.718 1.00 1.00 H new ATOM 0 HB3 ALA A 8 78.027 6.749 18.046 1.00 1.00 H new ATOM 125 N GLU A 9 76.075 3.308 18.776 1.00 1.00 N ATOM 126 CA GLU A 9 75.413 2.416 17.780 1.00 1.00 C ATOM 127 C GLU A 9 74.151 1.812 18.400 1.00 1.00 C ATOM 128 O GLU A 9 73.065 1.940 17.870 1.00 1.00 O ATOM 129 CB GLU A 9 76.374 1.292 17.382 1.00 1.00 C ATOM 130 CG GLU A 9 77.416 1.833 16.401 1.00 1.00 C ATOM 131 CD GLU A 9 76.747 2.127 15.056 1.00 1.00 C ATOM 132 OE1 GLU A 9 76.690 1.226 14.236 1.00 1.00 O ATOM 133 OE2 GLU A 9 76.303 3.248 14.871 1.00 1.00 O ATOM 0 H GLU A 9 76.030 2.986 19.743 1.00 1.00 H new ATOM 0 HA GLU A 9 75.145 2.994 16.895 1.00 1.00 H new ATOM 0 HB2 GLU A 9 76.867 0.890 18.267 1.00 1.00 H new ATOM 0 HB3 GLU A 9 75.821 0.471 16.925 1.00 1.00 H new ATOM 0 HG2 GLU A 9 77.870 2.740 16.800 1.00 1.00 H new ATOM 0 HG3 GLU A 9 78.218 1.107 16.269 1.00 1.00 H new ATOM 140 N CYS A 10 74.284 1.156 19.521 1.00 1.00 N ATOM 141 CA CYS A 10 73.091 0.547 20.174 1.00 1.00 C ATOM 142 C CYS A 10 72.392 -0.391 19.188 1.00 1.00 C ATOM 143 O CYS A 10 71.662 0.040 18.317 1.00 1.00 O ATOM 144 CB CYS A 10 72.123 1.654 20.599 1.00 1.00 C ATOM 145 SG CYS A 10 73.042 2.976 21.426 1.00 1.00 S ATOM 0 H CYS A 10 75.167 1.016 20.012 1.00 1.00 H new ATOM 0 HA CYS A 10 73.406 -0.018 21.051 1.00 1.00 H new ATOM 0 HB2 CYS A 10 71.601 2.050 19.728 1.00 1.00 H new ATOM 0 HB3 CYS A 10 71.364 1.250 21.269 1.00 1.00 H new ATOM 150 N ARG A 11 72.607 -1.672 19.318 1.00 1.00 N ATOM 151 CA ARG A 11 71.952 -2.635 18.388 1.00 1.00 C ATOM 152 C ARG A 11 70.478 -2.789 18.770 1.00 1.00 C ATOM 153 O ARG A 11 69.924 -3.869 18.724 1.00 1.00 O ATOM 154 CB ARG A 11 72.649 -3.996 18.485 1.00 1.00 C ATOM 155 CG ARG A 11 72.101 -4.935 17.409 1.00 1.00 C ATOM 156 CD ARG A 11 73.197 -5.234 16.384 1.00 1.00 C ATOM 157 NE ARG A 11 72.640 -6.081 15.293 1.00 1.00 N ATOM 158 CZ ARG A 11 73.313 -6.246 14.187 1.00 1.00 C ATOM 159 NH1 ARG A 11 74.474 -5.670 14.037 1.00 1.00 N ATOM 160 NH2 ARG A 11 72.825 -6.988 13.231 1.00 1.00 N ATOM 0 H ARG A 11 73.207 -2.093 20.027 1.00 1.00 H new ATOM 0 HA ARG A 11 72.027 -2.261 17.367 1.00 1.00 H new ATOM 0 HB2 ARG A 11 73.725 -3.874 18.361 1.00 1.00 H new ATOM 0 HB3 ARG A 11 72.489 -4.427 19.473 1.00 1.00 H new ATOM 0 HG2 ARG A 11 71.752 -5.862 17.864 1.00 1.00 H new ATOM 0 HG3 ARG A 11 71.243 -4.479 16.916 1.00 1.00 H new ATOM 0 HD2 ARG A 11 73.588 -4.304 15.973 1.00 1.00 H new ATOM 0 HD3 ARG A 11 74.031 -5.745 16.866 1.00 1.00 H new ATOM 0 HE ARG A 11 71.733 -6.532 15.410 1.00 1.00 H new ATOM 0 HH11 ARG A 11 74.856 -5.090 14.784 1.00 1.00 H new ATOM 0 HH12 ARG A 11 75.000 -5.799 13.172 1.00 1.00 H new ATOM 0 HH21 ARG A 11 71.918 -7.439 13.348 1.00 1.00 H new ATOM 0 HH22 ARG A 11 73.351 -7.117 12.367 1.00 1.00 H new ATOM 174 N SER A 12 69.839 -1.715 19.148 1.00 1.00 N ATOM 175 CA SER A 12 68.401 -1.800 19.532 1.00 1.00 C ATOM 176 C SER A 12 67.535 -1.762 18.272 1.00 1.00 C ATOM 177 O SER A 12 67.975 -2.114 17.195 1.00 1.00 O ATOM 178 CB SER A 12 68.043 -0.617 20.432 1.00 1.00 C ATOM 179 OG SER A 12 67.730 0.509 19.624 1.00 1.00 O ATOM 0 H SER A 12 70.250 -0.783 19.207 1.00 1.00 H new ATOM 0 HA SER A 12 68.222 -2.732 20.069 1.00 1.00 H new ATOM 0 HB2 SER A 12 67.194 -0.871 21.066 1.00 1.00 H new ATOM 0 HB3 SER A 12 68.877 -0.384 21.094 1.00 1.00 H new ATOM 0 HG SER A 12 67.498 1.269 20.198 1.00 1.00 H new ATOM 185 N ALA A 13 66.308 -1.337 18.395 1.00 1.00 N ATOM 186 CA ALA A 13 65.418 -1.276 17.202 1.00 1.00 C ATOM 187 C ALA A 13 65.845 -0.111 16.308 1.00 1.00 C ATOM 188 O ALA A 13 66.843 0.538 16.551 1.00 1.00 O ATOM 189 CB ALA A 13 63.971 -1.070 17.653 1.00 1.00 C ATOM 0 H ALA A 13 65.883 -1.029 19.270 1.00 1.00 H new ATOM 0 HA ALA A 13 65.494 -2.209 16.644 1.00 1.00 H new ATOM 0 HB1 ALA A 13 63.320 -1.025 16.780 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.667 -1.900 18.290 1.00 1.00 H new ATOM 0 HB3 ALA A 13 63.893 -0.137 18.211 1.00 1.00 H new ATOM 195 N THR A 14 65.097 0.161 15.274 1.00 1.00 N ATOM 196 CA THR A 14 65.459 1.285 14.365 1.00 1.00 C ATOM 197 C THR A 14 64.208 1.764 13.626 1.00 1.00 C ATOM 198 O THR A 14 64.105 1.650 12.421 1.00 1.00 O ATOM 199 CB THR A 14 66.500 0.803 13.350 1.00 1.00 C ATOM 200 OG1 THR A 14 67.584 0.196 14.039 1.00 1.00 O ATOM 201 CG2 THR A 14 67.012 1.993 12.536 1.00 1.00 C ATOM 0 H THR A 14 64.250 -0.347 15.019 1.00 1.00 H new ATOM 0 HA THR A 14 65.874 2.107 14.948 1.00 1.00 H new ATOM 0 HB THR A 14 66.043 0.077 12.678 1.00 1.00 H new ATOM 0 HG1 THR A 14 67.608 0.522 14.963 1.00 1.00 H new ATOM 0 HG21 THR A 14 67.753 1.648 11.814 1.00 1.00 H new ATOM 0 HG22 THR A 14 66.179 2.458 12.008 1.00 1.00 H new ATOM 0 HG23 THR A 14 67.469 2.722 13.205 1.00 1.00 H new ATOM 209 N ARG A 15 63.255 2.298 14.340 1.00 1.00 N ATOM 210 CA ARG A 15 62.012 2.783 13.678 1.00 1.00 C ATOM 211 C ARG A 15 62.281 4.149 13.038 1.00 1.00 C ATOM 212 O ARG A 15 62.883 5.018 13.636 1.00 1.00 O ATOM 213 CB ARG A 15 60.891 2.908 14.725 1.00 1.00 C ATOM 214 CG ARG A 15 59.715 2.014 14.327 1.00 1.00 C ATOM 215 CD ARG A 15 60.067 0.552 14.608 1.00 1.00 C ATOM 216 NE ARG A 15 59.229 -0.334 13.752 1.00 1.00 N ATOM 217 CZ ARG A 15 59.643 -0.673 12.561 1.00 1.00 C ATOM 218 NH1 ARG A 15 60.791 -0.235 12.121 1.00 1.00 N ATOM 219 NH2 ARG A 15 58.909 -1.449 11.811 1.00 1.00 N ATOM 0 H ARG A 15 63.284 2.419 15.352 1.00 1.00 H new ATOM 0 HA ARG A 15 61.705 2.077 12.907 1.00 1.00 H new ATOM 0 HB2 ARG A 15 61.264 2.620 15.708 1.00 1.00 H new ATOM 0 HB3 ARG A 15 60.564 3.945 14.800 1.00 1.00 H new ATOM 0 HG2 ARG A 15 58.823 2.298 14.886 1.00 1.00 H new ATOM 0 HG3 ARG A 15 59.485 2.147 13.270 1.00 1.00 H new ATOM 0 HD2 ARG A 15 61.124 0.376 14.407 1.00 1.00 H new ATOM 0 HD3 ARG A 15 59.900 0.322 15.660 1.00 1.00 H new ATOM 0 HE ARG A 15 58.332 -0.676 14.096 1.00 1.00 H new ATOM 0 HH11 ARG A 15 61.364 0.372 12.707 1.00 1.00 H new ATOM 0 HH12 ARG A 15 61.115 -0.499 11.191 1.00 1.00 H new ATOM 0 HH21 ARG A 15 58.012 -1.791 12.155 1.00 1.00 H new ATOM 0 HH22 ARG A 15 59.233 -1.714 10.881 1.00 1.00 H new ATOM 233 N VAL A 16 61.842 4.342 11.824 1.00 1.00 N ATOM 234 CA VAL A 16 62.074 5.649 11.147 1.00 1.00 C ATOM 235 C VAL A 16 61.592 6.786 12.049 1.00 1.00 C ATOM 236 O VAL A 16 60.715 6.610 12.872 1.00 1.00 O ATOM 237 CB VAL A 16 61.302 5.682 9.827 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.800 5.641 10.112 1.00 1.00 C ATOM 239 CG2 VAL A 16 61.641 6.969 9.071 1.00 1.00 C ATOM 0 H VAL A 16 61.333 3.651 11.272 1.00 1.00 H new ATOM 0 HA VAL A 16 63.139 5.771 10.949 1.00 1.00 H new ATOM 0 HB VAL A 16 61.581 4.819 9.222 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.250 5.665 9.171 1.00 1.00 H new ATOM 0 HG12 VAL A 16 59.557 4.726 10.651 1.00 1.00 H new ATOM 0 HG13 VAL A 16 59.521 6.504 10.717 1.00 1.00 H new ATOM 0 HG21 VAL A 16 61.091 6.994 8.130 1.00 1.00 H new ATOM 0 HG22 VAL A 16 61.362 7.831 9.677 1.00 1.00 H new ATOM 0 HG23 VAL A 16 62.711 7.000 8.867 1.00 1.00 H new ATOM 249 N MET A 17 62.158 7.954 11.900 1.00 1.00 N ATOM 250 CA MET A 17 61.735 9.108 12.746 1.00 1.00 C ATOM 251 C MET A 17 61.770 10.389 11.909 1.00 1.00 C ATOM 252 O MET A 17 61.326 11.435 12.339 1.00 1.00 O ATOM 253 CB MET A 17 62.692 9.248 13.935 1.00 1.00 C ATOM 254 CG MET A 17 62.316 8.233 15.016 1.00 1.00 C ATOM 255 SD MET A 17 60.753 8.723 15.786 1.00 1.00 S ATOM 256 CE MET A 17 61.232 8.396 17.500 1.00 1.00 C ATOM 0 H MET A 17 62.897 8.159 11.227 1.00 1.00 H new ATOM 0 HA MET A 17 60.723 8.940 13.114 1.00 1.00 H new ATOM 0 HB2 MET A 17 63.719 9.085 13.610 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.642 10.260 14.338 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.223 7.239 14.580 1.00 1.00 H new ATOM 0 HG3 MET A 17 63.103 8.178 15.768 1.00 1.00 H new ATOM 0 HE1 MET A 17 60.400 8.634 18.162 1.00 1.00 H new ATOM 0 HE2 MET A 17 61.494 7.344 17.610 1.00 1.00 H new ATOM 0 HE3 MET A 17 62.092 9.013 17.762 1.00 1.00 H new ATOM 266 N GLY A 18 62.294 10.315 10.717 1.00 1.00 N ATOM 267 CA GLY A 18 62.357 11.528 9.853 1.00 1.00 C ATOM 268 C GLY A 18 62.955 12.691 10.647 1.00 1.00 C ATOM 269 O GLY A 18 63.926 12.533 11.361 1.00 1.00 O ATOM 0 H GLY A 18 62.682 9.467 10.303 1.00 1.00 H new ATOM 0 HA2 GLY A 18 62.963 11.327 8.970 1.00 1.00 H new ATOM 0 HA3 GLY A 18 61.359 11.789 9.502 1.00 1.00 H new ATOM 273 N GLY A 19 62.384 13.859 10.529 1.00 1.00 N ATOM 274 CA GLY A 19 62.921 15.031 11.278 1.00 1.00 C ATOM 275 C GLY A 19 64.076 15.655 10.492 1.00 1.00 C ATOM 276 O GLY A 19 64.352 15.274 9.372 1.00 1.00 O ATOM 0 H GLY A 19 61.569 14.052 9.947 1.00 1.00 H new ATOM 0 HA2 GLY A 19 62.133 15.768 11.434 1.00 1.00 H new ATOM 0 HA3 GLY A 19 63.265 14.719 12.264 1.00 1.00 H new ATOM 280 N PRO A 20 64.744 16.610 11.080 1.00 1.00 N ATOM 281 CA PRO A 20 65.892 17.310 10.435 1.00 1.00 C ATOM 282 C PRO A 20 66.858 16.335 9.752 1.00 1.00 C ATOM 283 O PRO A 20 67.846 15.919 10.324 1.00 1.00 O ATOM 284 CB PRO A 20 66.574 18.026 11.603 1.00 1.00 C ATOM 285 CG PRO A 20 65.486 18.272 12.595 1.00 1.00 C ATOM 286 CD PRO A 20 64.477 17.132 12.431 1.00 1.00 C ATOM 0 HA PRO A 20 65.569 17.984 9.642 1.00 1.00 H new ATOM 0 HB2 PRO A 20 67.368 17.414 12.032 1.00 1.00 H new ATOM 0 HB3 PRO A 20 67.032 18.961 11.280 1.00 1.00 H new ATOM 0 HG2 PRO A 20 65.884 18.294 13.609 1.00 1.00 H new ATOM 0 HG3 PRO A 20 65.012 19.237 12.418 1.00 1.00 H new ATOM 0 HD2 PRO A 20 64.617 16.363 13.191 1.00 1.00 H new ATOM 0 HD3 PRO A 20 63.452 17.490 12.525 1.00 1.00 H new ATOM 294 N CYS A 21 66.577 15.971 8.529 1.00 1.00 N ATOM 295 CA CYS A 21 67.471 15.027 7.799 1.00 1.00 C ATOM 296 C CYS A 21 67.649 15.511 6.358 1.00 1.00 C ATOM 297 O CYS A 21 66.830 15.251 5.500 1.00 1.00 O ATOM 298 CB CYS A 21 66.843 13.630 7.798 1.00 1.00 C ATOM 299 SG CYS A 21 67.562 12.644 6.461 1.00 1.00 S ATOM 0 H CYS A 21 65.763 16.289 8.003 1.00 1.00 H new ATOM 0 HA CYS A 21 68.443 14.986 8.291 1.00 1.00 H new ATOM 0 HB2 CYS A 21 67.015 13.142 8.757 1.00 1.00 H new ATOM 0 HB3 CYS A 21 65.763 13.705 7.668 1.00 1.00 H new ATOM 304 N THR A 22 68.715 16.214 6.085 1.00 1.00 N ATOM 305 CA THR A 22 68.944 16.713 4.699 1.00 1.00 C ATOM 306 C THR A 22 69.751 15.673 3.911 1.00 1.00 C ATOM 307 O THR A 22 70.617 15.016 4.455 1.00 1.00 O ATOM 308 CB THR A 22 69.729 18.027 4.757 1.00 1.00 C ATOM 309 OG1 THR A 22 70.835 17.877 5.636 1.00 1.00 O ATOM 310 CG2 THR A 22 68.818 19.146 5.265 1.00 1.00 C ATOM 0 H THR A 22 69.436 16.464 6.761 1.00 1.00 H new ATOM 0 HA THR A 22 67.986 16.881 4.207 1.00 1.00 H new ATOM 0 HB THR A 22 70.089 18.280 3.760 1.00 1.00 H new ATOM 0 HG1 THR A 22 71.340 18.716 5.673 1.00 1.00 H new ATOM 0 HG21 THR A 22 69.378 20.080 5.306 1.00 1.00 H new ATOM 0 HG22 THR A 22 67.970 19.260 4.589 1.00 1.00 H new ATOM 0 HG23 THR A 22 68.456 18.896 6.262 1.00 1.00 H new ATOM 318 N PRO A 23 69.475 15.522 2.639 1.00 1.00 N ATOM 319 CA PRO A 23 70.193 14.547 1.773 1.00 1.00 C ATOM 320 C PRO A 23 71.696 14.502 2.071 1.00 1.00 C ATOM 321 O PRO A 23 72.348 13.496 1.874 1.00 1.00 O ATOM 322 CB PRO A 23 69.940 15.076 0.361 1.00 1.00 C ATOM 323 CG PRO A 23 68.624 15.779 0.439 1.00 1.00 C ATOM 324 CD PRO A 23 68.453 16.265 1.884 1.00 1.00 C ATOM 0 HA PRO A 23 69.843 13.526 1.928 1.00 1.00 H new ATOM 0 HB2 PRO A 23 70.732 15.756 0.047 1.00 1.00 H new ATOM 0 HB3 PRO A 23 69.911 14.264 -0.365 1.00 1.00 H new ATOM 0 HG2 PRO A 23 68.595 16.619 -0.255 1.00 1.00 H new ATOM 0 HG3 PRO A 23 67.812 15.107 0.161 1.00 1.00 H new ATOM 0 HD2 PRO A 23 68.604 17.342 1.962 1.00 1.00 H new ATOM 0 HD3 PRO A 23 67.451 16.056 2.258 1.00 1.00 H new ATOM 332 N ARG A 24 72.250 15.587 2.540 1.00 1.00 N ATOM 333 CA ARG A 24 73.709 15.607 2.844 1.00 1.00 C ATOM 334 C ARG A 24 74.493 15.325 1.559 1.00 1.00 C ATOM 335 O ARG A 24 74.651 14.191 1.152 1.00 1.00 O ATOM 336 CB ARG A 24 74.025 14.533 3.899 1.00 1.00 C ATOM 337 CG ARG A 24 74.732 15.179 5.092 1.00 1.00 C ATOM 338 CD ARG A 24 76.060 15.785 4.632 1.00 1.00 C ATOM 339 NE ARG A 24 75.895 17.253 4.437 1.00 1.00 N ATOM 340 CZ ARG A 24 76.827 17.940 3.835 1.00 1.00 C ATOM 341 NH1 ARG A 24 77.904 17.341 3.403 1.00 1.00 N ATOM 342 NH2 ARG A 24 76.683 19.225 3.664 1.00 1.00 N ATOM 0 H ARG A 24 71.756 16.460 2.726 1.00 1.00 H new ATOM 0 HA ARG A 24 73.994 16.584 3.234 1.00 1.00 H new ATOM 0 HB2 ARG A 24 73.105 14.049 4.227 1.00 1.00 H new ATOM 0 HB3 ARG A 24 74.656 13.757 3.465 1.00 1.00 H new ATOM 0 HG2 ARG A 24 74.099 15.952 5.528 1.00 1.00 H new ATOM 0 HG3 ARG A 24 74.909 14.436 5.869 1.00 1.00 H new ATOM 0 HD2 ARG A 24 76.836 15.591 5.372 1.00 1.00 H new ATOM 0 HD3 ARG A 24 76.382 15.318 3.702 1.00 1.00 H new ATOM 0 HE ARG A 24 75.054 17.721 4.774 1.00 1.00 H new ATOM 0 HH11 ARG A 24 78.017 16.336 3.536 1.00 1.00 H new ATOM 0 HH12 ARG A 24 78.632 17.878 2.932 1.00 1.00 H new ATOM 0 HH21 ARG A 24 75.842 19.693 4.001 1.00 1.00 H new ATOM 0 HH22 ARG A 24 77.412 19.762 3.193 1.00 1.00 H new ATOM 356 N LYS A 25 74.981 16.350 0.913 1.00 1.00 N ATOM 357 CA LYS A 25 75.748 16.141 -0.347 1.00 1.00 C ATOM 358 C LYS A 25 77.175 15.699 -0.011 1.00 1.00 C ATOM 359 O LYS A 25 77.629 14.666 -0.458 1.00 1.00 O ATOM 360 CB LYS A 25 75.783 17.447 -1.155 1.00 1.00 C ATOM 361 CG LYS A 25 75.665 18.641 -0.206 1.00 1.00 C ATOM 362 CD LYS A 25 74.188 18.952 0.042 1.00 1.00 C ATOM 363 CE LYS A 25 73.671 19.887 -1.053 1.00 1.00 C ATOM 364 NZ LYS A 25 72.239 20.210 -0.795 1.00 1.00 N ATOM 0 H LYS A 25 74.881 17.322 1.204 1.00 1.00 H new ATOM 0 HA LYS A 25 75.263 15.367 -0.942 1.00 1.00 H new ATOM 0 HB2 LYS A 25 76.712 17.511 -1.722 1.00 1.00 H new ATOM 0 HB3 LYS A 25 74.967 17.462 -1.877 1.00 1.00 H new ATOM 0 HG2 LYS A 25 76.164 18.420 0.737 1.00 1.00 H new ATOM 0 HG3 LYS A 25 76.164 19.510 -0.635 1.00 1.00 H new ATOM 0 HD2 LYS A 25 73.608 18.029 0.050 1.00 1.00 H new ATOM 0 HD3 LYS A 25 74.063 19.416 1.020 1.00 1.00 H new ATOM 0 HE2 LYS A 25 74.263 20.802 -1.074 1.00 1.00 H new ATOM 0 HE3 LYS A 25 73.778 19.415 -2.030 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 71.887 20.846 -1.539 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 71.680 19.333 -0.796 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 72.150 20.677 0.130 1.00 1.00 H new ATOM 378 N GLY A 26 77.880 16.478 0.773 1.00 1.00 N ATOM 379 CA GLY A 26 79.284 16.119 1.152 1.00 1.00 C ATOM 380 C GLY A 26 79.941 15.285 0.044 1.00 1.00 C ATOM 381 O GLY A 26 80.493 15.823 -0.896 1.00 1.00 O ATOM 0 H GLY A 26 77.541 17.354 1.170 1.00 1.00 H new ATOM 0 HA2 GLY A 26 79.864 17.026 1.326 1.00 1.00 H new ATOM 0 HA3 GLY A 26 79.283 15.558 2.086 1.00 1.00 H new ATOM 385 N PRO A 27 79.879 13.980 0.151 1.00 1.00 N ATOM 386 CA PRO A 27 80.469 13.057 -0.856 1.00 1.00 C ATOM 387 C PRO A 27 80.358 13.609 -2.286 1.00 1.00 C ATOM 388 O PRO A 27 79.551 14.475 -2.559 1.00 1.00 O ATOM 389 CB PRO A 27 79.624 11.794 -0.691 1.00 1.00 C ATOM 390 CG PRO A 27 79.213 11.783 0.747 1.00 1.00 C ATOM 391 CD PRO A 27 79.232 13.235 1.242 1.00 1.00 C ATOM 0 HA PRO A 27 81.536 12.897 -0.704 1.00 1.00 H new ATOM 0 HB2 PRO A 27 78.755 11.813 -1.349 1.00 1.00 H new ATOM 0 HB3 PRO A 27 80.196 10.901 -0.944 1.00 1.00 H new ATOM 0 HG2 PRO A 27 78.218 11.353 0.858 1.00 1.00 H new ATOM 0 HG3 PRO A 27 79.894 11.168 1.336 1.00 1.00 H new ATOM 0 HD2 PRO A 27 78.224 13.604 1.433 1.00 1.00 H new ATOM 0 HD3 PRO A 27 79.789 13.331 2.174 1.00 1.00 H new ATOM 399 N PRO A 28 81.166 13.112 -3.190 1.00 1.00 N ATOM 400 CA PRO A 28 81.164 13.560 -4.609 1.00 1.00 C ATOM 401 C PRO A 28 79.756 13.869 -5.130 1.00 1.00 C ATOM 402 O PRO A 28 78.765 13.496 -4.534 1.00 1.00 O ATOM 403 CB PRO A 28 81.766 12.365 -5.346 1.00 1.00 C ATOM 404 CG PRO A 28 82.711 11.749 -4.366 1.00 1.00 C ATOM 405 CD PRO A 28 82.172 12.061 -2.964 1.00 1.00 C ATOM 0 HA PRO A 28 81.716 14.490 -4.747 1.00 1.00 H new ATOM 0 HB2 PRO A 28 80.994 11.658 -5.650 1.00 1.00 H new ATOM 0 HB3 PRO A 28 82.285 12.679 -6.252 1.00 1.00 H new ATOM 0 HG2 PRO A 28 82.780 10.672 -4.522 1.00 1.00 H new ATOM 0 HG3 PRO A 28 83.715 12.154 -4.492 1.00 1.00 H new ATOM 0 HD2 PRO A 28 81.729 11.179 -2.502 1.00 1.00 H new ATOM 0 HD3 PRO A 28 82.965 12.405 -2.300 1.00 1.00 H new ATOM 413 N LYS A 29 79.664 14.555 -6.237 1.00 1.00 N ATOM 414 CA LYS A 29 78.326 14.899 -6.797 1.00 1.00 C ATOM 415 C LYS A 29 77.644 13.634 -7.326 1.00 1.00 C ATOM 416 O LYS A 29 77.108 12.846 -6.571 1.00 1.00 O ATOM 417 CB LYS A 29 78.498 15.911 -7.936 1.00 1.00 C ATOM 418 CG LYS A 29 77.126 16.363 -8.439 1.00 1.00 C ATOM 419 CD LYS A 29 76.834 17.775 -7.928 1.00 1.00 C ATOM 420 CE LYS A 29 76.644 17.741 -6.410 1.00 1.00 C ATOM 421 NZ LYS A 29 75.978 18.997 -5.964 1.00 1.00 N ATOM 0 H LYS A 29 80.460 14.893 -6.779 1.00 1.00 H new ATOM 0 HA LYS A 29 77.706 15.335 -6.014 1.00 1.00 H new ATOM 0 HB2 LYS A 29 79.069 16.771 -7.587 1.00 1.00 H new ATOM 0 HB3 LYS A 29 79.065 15.462 -8.752 1.00 1.00 H new ATOM 0 HG2 LYS A 29 77.103 16.347 -9.529 1.00 1.00 H new ATOM 0 HG3 LYS A 29 76.355 15.674 -8.094 1.00 1.00 H new ATOM 0 HD2 LYS A 29 77.655 18.444 -8.187 1.00 1.00 H new ATOM 0 HD3 LYS A 29 75.938 18.169 -8.408 1.00 1.00 H new ATOM 0 HE2 LYS A 29 76.042 16.877 -6.128 1.00 1.00 H new ATOM 0 HE3 LYS A 29 77.609 17.633 -5.914 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 75.849 18.974 -4.932 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 76.569 19.813 -6.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 75.051 19.082 -6.427 1.00 1.00 H new ATOM 435 N CYS A 30 77.645 13.437 -8.617 1.00 1.00 N ATOM 436 CA CYS A 30 76.983 12.229 -9.186 1.00 1.00 C ATOM 437 C CYS A 30 77.363 12.085 -10.661 1.00 1.00 C ATOM 438 O CYS A 30 77.141 12.974 -11.459 1.00 1.00 O ATOM 439 CB CYS A 30 75.466 12.382 -9.059 1.00 1.00 C ATOM 440 SG CYS A 30 74.646 10.984 -9.865 1.00 1.00 S ATOM 0 H CYS A 30 78.075 14.060 -9.301 1.00 1.00 H new ATOM 0 HA CYS A 30 77.308 11.341 -8.643 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.181 12.427 -8.008 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.145 13.318 -9.516 1.00 1.00 H new ATOM 445 N LYS A 31 77.937 10.972 -11.031 1.00 1.00 N ATOM 446 CA LYS A 31 78.334 10.774 -12.455 1.00 1.00 C ATOM 447 C LYS A 31 77.087 10.545 -13.311 1.00 1.00 C ATOM 448 O LYS A 31 75.971 10.632 -12.839 1.00 1.00 O ATOM 449 CB LYS A 31 79.254 9.556 -12.563 1.00 1.00 C ATOM 450 CG LYS A 31 80.496 9.773 -11.696 1.00 1.00 C ATOM 451 CD LYS A 31 81.210 8.438 -11.483 1.00 1.00 C ATOM 452 CE LYS A 31 82.408 8.642 -10.554 1.00 1.00 C ATOM 453 NZ LYS A 31 82.753 7.349 -9.896 1.00 1.00 N ATOM 0 HA LYS A 31 78.858 11.662 -12.809 1.00 1.00 H new ATOM 0 HB2 LYS A 31 78.726 8.659 -12.241 1.00 1.00 H new ATOM 0 HB3 LYS A 31 79.546 9.399 -13.601 1.00 1.00 H new ATOM 0 HG2 LYS A 31 81.168 10.484 -12.176 1.00 1.00 H new ATOM 0 HG3 LYS A 31 80.211 10.202 -10.735 1.00 1.00 H new ATOM 0 HD2 LYS A 31 80.522 7.710 -11.052 1.00 1.00 H new ATOM 0 HD3 LYS A 31 81.543 8.035 -12.439 1.00 1.00 H new ATOM 0 HE2 LYS A 31 83.262 9.013 -11.121 1.00 1.00 H new ATOM 0 HE3 LYS A 31 82.174 9.394 -9.801 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 83.523 7.501 -9.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 81.918 6.979 -9.399 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 83.059 6.664 -10.616 1.00 1.00 H new ATOM 467 N GLN A 32 77.270 10.252 -14.571 1.00 1.00 N ATOM 468 CA GLN A 32 76.100 10.014 -15.465 1.00 1.00 C ATOM 469 C GLN A 32 75.786 8.516 -15.500 1.00 1.00 C ATOM 470 O GLN A 32 76.293 7.785 -16.328 1.00 1.00 O ATOM 471 CB GLN A 32 76.430 10.501 -16.881 1.00 1.00 C ATOM 472 CG GLN A 32 77.863 10.104 -17.240 1.00 1.00 C ATOM 473 CD GLN A 32 78.827 11.202 -16.786 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.148 11.300 -15.618 1.00 1.00 O ATOM 475 NE2 GLN A 32 79.304 12.039 -17.666 1.00 1.00 N ATOM 0 H GLN A 32 78.182 10.167 -15.020 1.00 1.00 H new ATOM 0 HA GLN A 32 75.235 10.560 -15.087 1.00 1.00 H new ATOM 0 HB2 GLN A 32 75.732 10.068 -17.597 1.00 1.00 H new ATOM 0 HB3 GLN A 32 76.316 11.583 -16.940 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.120 9.159 -16.762 1.00 1.00 H new ATOM 0 HG3 GLN A 32 77.950 9.951 -18.316 1.00 1.00 H new ATOM 0 HE21 GLN A 32 79.035 11.957 -18.646 1.00 1.00 H new ATOM 0 HE22 GLN A 32 79.946 12.775 -17.374 1.00 1.00 H new ATOM 484 N ARG A 33 74.955 8.054 -14.608 1.00 1.00 N ATOM 485 CA ARG A 33 74.611 6.604 -14.590 1.00 1.00 C ATOM 486 C ARG A 33 74.264 6.142 -16.007 1.00 1.00 C ATOM 487 O ARG A 33 73.984 6.939 -16.880 1.00 1.00 O ATOM 488 CB ARG A 33 73.410 6.375 -13.669 1.00 1.00 C ATOM 489 CG ARG A 33 72.247 7.264 -14.114 1.00 1.00 C ATOM 490 CD ARG A 33 71.028 6.991 -13.230 1.00 1.00 C ATOM 491 NE ARG A 33 70.788 8.162 -12.341 1.00 1.00 N ATOM 492 CZ ARG A 33 69.746 8.181 -11.555 1.00 1.00 C ATOM 493 NH1 ARG A 33 68.915 7.175 -11.549 1.00 1.00 N ATOM 494 NH2 ARG A 33 69.535 9.207 -10.776 1.00 1.00 N ATOM 0 H ARG A 33 74.499 8.617 -13.890 1.00 1.00 H new ATOM 0 HA ARG A 33 75.464 6.034 -14.222 1.00 1.00 H new ATOM 0 HB2 ARG A 33 73.112 5.327 -13.697 1.00 1.00 H new ATOM 0 HB3 ARG A 33 73.681 6.602 -12.638 1.00 1.00 H new ATOM 0 HG2 ARG A 33 72.531 8.314 -14.046 1.00 1.00 H new ATOM 0 HG3 ARG A 33 72.004 7.067 -15.158 1.00 1.00 H new ATOM 0 HD2 ARG A 33 70.151 6.805 -13.849 1.00 1.00 H new ATOM 0 HD3 ARG A 33 71.192 6.094 -12.632 1.00 1.00 H new ATOM 0 HE ARG A 33 71.437 8.948 -12.346 1.00 1.00 H new ATOM 0 HH11 ARG A 33 69.080 6.374 -12.158 1.00 1.00 H new ATOM 0 HH12 ARG A 33 68.101 7.190 -10.935 1.00 1.00 H new ATOM 0 HH21 ARG A 33 70.184 9.994 -10.782 1.00 1.00 H new ATOM 0 HH22 ARG A 33 68.721 9.222 -10.162 1.00 1.00 H new ATOM 508 N GLN A 34 74.279 4.858 -16.242 1.00 1.00 N ATOM 509 CA GLN A 34 73.949 4.343 -17.600 1.00 1.00 C ATOM 510 C GLN A 34 73.577 2.865 -17.505 1.00 1.00 C ATOM 511 O GLN A 34 72.456 2.476 -17.766 1.00 1.00 O ATOM 512 CB GLN A 34 75.163 4.506 -18.518 1.00 1.00 C ATOM 513 CG GLN A 34 74.749 4.233 -19.966 1.00 1.00 C ATOM 514 CD GLN A 34 75.998 4.008 -20.820 1.00 1.00 C ATOM 515 OE1 GLN A 34 76.971 4.726 -20.696 1.00 1.00 O ATOM 516 NE2 GLN A 34 76.012 3.035 -21.689 1.00 1.00 N ATOM 0 H GLN A 34 74.506 4.143 -15.551 1.00 1.00 H new ATOM 0 HA GLN A 34 73.109 4.905 -18.008 1.00 1.00 H new ATOM 0 HB2 GLN A 34 75.567 5.514 -18.428 1.00 1.00 H new ATOM 0 HB3 GLN A 34 75.953 3.818 -18.219 1.00 1.00 H new ATOM 0 HG2 GLN A 34 74.102 3.357 -20.011 1.00 1.00 H new ATOM 0 HG3 GLN A 34 74.175 5.074 -20.356 1.00 1.00 H new ATOM 0 HE21 GLN A 34 75.196 2.432 -21.793 1.00 1.00 H new ATOM 0 HE22 GLN A 34 76.839 2.877 -22.264 1.00 1.00 H new ATOM 525 N THR A 35 74.512 2.039 -17.132 1.00 1.00 N ATOM 526 CA THR A 35 74.222 0.582 -17.016 1.00 1.00 C ATOM 527 C THR A 35 75.189 -0.050 -16.013 1.00 1.00 C ATOM 528 O THR A 35 76.124 0.577 -15.556 1.00 1.00 O ATOM 529 CB THR A 35 74.396 -0.084 -18.383 1.00 1.00 C ATOM 530 OG1 THR A 35 74.433 -1.494 -18.219 1.00 1.00 O ATOM 531 CG2 THR A 35 75.701 0.392 -19.023 1.00 1.00 C ATOM 0 H THR A 35 75.468 2.310 -16.901 1.00 1.00 H new ATOM 0 HA THR A 35 73.197 0.441 -16.672 1.00 1.00 H new ATOM 0 HB THR A 35 73.560 0.185 -19.028 1.00 1.00 H new ATOM 0 HG1 THR A 35 74.543 -1.922 -19.094 1.00 1.00 H new ATOM 0 HG21 THR A 35 75.823 -0.083 -19.996 1.00 1.00 H new ATOM 0 HG22 THR A 35 75.671 1.474 -19.149 1.00 1.00 H new ATOM 0 HG23 THR A 35 76.540 0.125 -18.381 1.00 1.00 H new ATOM 539 N ARG A 36 74.971 -1.289 -15.667 1.00 1.00 N ATOM 540 CA ARG A 36 75.877 -1.963 -14.693 1.00 1.00 C ATOM 541 C ARG A 36 77.113 -2.491 -15.425 1.00 1.00 C ATOM 542 O ARG A 36 77.330 -3.682 -15.519 1.00 1.00 O ATOM 543 CB ARG A 36 75.134 -3.129 -14.032 1.00 1.00 C ATOM 544 CG ARG A 36 74.648 -4.105 -15.105 1.00 1.00 C ATOM 545 CD ARG A 36 73.287 -4.675 -14.698 1.00 1.00 C ATOM 546 NE ARG A 36 73.338 -5.114 -13.275 1.00 1.00 N ATOM 547 CZ ARG A 36 73.767 -6.309 -12.976 1.00 1.00 C ATOM 548 NH1 ARG A 36 74.152 -7.120 -13.923 1.00 1.00 N ATOM 549 NH2 ARG A 36 73.811 -6.693 -11.729 1.00 1.00 N ATOM 0 H ARG A 36 74.205 -1.864 -16.016 1.00 1.00 H new ATOM 0 HA ARG A 36 76.188 -1.250 -13.929 1.00 1.00 H new ATOM 0 HB2 ARG A 36 75.793 -3.642 -13.331 1.00 1.00 H new ATOM 0 HB3 ARG A 36 74.287 -2.754 -13.457 1.00 1.00 H new ATOM 0 HG2 ARG A 36 74.568 -3.596 -16.066 1.00 1.00 H new ATOM 0 HG3 ARG A 36 75.369 -4.912 -15.231 1.00 1.00 H new ATOM 0 HD2 ARG A 36 72.511 -3.921 -14.830 1.00 1.00 H new ATOM 0 HD3 ARG A 36 73.026 -5.516 -15.340 1.00 1.00 H new ATOM 0 HE ARG A 36 73.037 -4.480 -12.535 1.00 1.00 H new ATOM 0 HH11 ARG A 36 74.118 -6.819 -14.897 1.00 1.00 H new ATOM 0 HH12 ARG A 36 74.487 -8.054 -13.689 1.00 1.00 H new ATOM 0 HH21 ARG A 36 73.510 -6.059 -10.989 1.00 1.00 H new ATOM 0 HH22 ARG A 36 74.146 -7.627 -11.495 1.00 1.00 H new ATOM 563 N GLN A 37 77.926 -1.611 -15.944 1.00 1.00 N ATOM 564 CA GLN A 37 79.148 -2.060 -16.670 1.00 1.00 C ATOM 565 C GLN A 37 80.101 -2.748 -15.690 1.00 1.00 C ATOM 566 O GLN A 37 80.178 -3.960 -15.632 1.00 1.00 O ATOM 567 CB GLN A 37 79.844 -0.847 -17.292 1.00 1.00 C ATOM 568 CG GLN A 37 80.985 -1.319 -18.195 1.00 1.00 C ATOM 569 CD GLN A 37 80.406 -1.944 -19.466 1.00 1.00 C ATOM 570 OE1 GLN A 37 80.178 -3.136 -19.522 1.00 1.00 O ATOM 571 NE2 GLN A 37 80.156 -1.183 -20.497 1.00 1.00 N ATOM 0 H GLN A 37 77.797 -0.600 -15.896 1.00 1.00 H new ATOM 0 HA GLN A 37 78.867 -2.762 -17.455 1.00 1.00 H new ATOM 0 HB2 GLN A 37 79.129 -0.261 -17.869 1.00 1.00 H new ATOM 0 HB3 GLN A 37 80.232 -0.196 -16.509 1.00 1.00 H new ATOM 0 HG2 GLN A 37 81.631 -0.479 -18.452 1.00 1.00 H new ATOM 0 HG3 GLN A 37 81.603 -2.046 -17.668 1.00 1.00 H new ATOM 0 HE21 GLN A 37 80.347 -0.182 -20.450 1.00 1.00 H new ATOM 0 HE22 GLN A 37 79.769 -1.589 -21.349 1.00 1.00 H new ATOM 580 N CYS A 38 80.828 -1.986 -14.919 1.00 1.00 N ATOM 581 CA CYS A 38 81.774 -2.599 -13.946 1.00 1.00 C ATOM 582 C CYS A 38 82.621 -3.658 -14.655 1.00 1.00 C ATOM 583 O CYS A 38 82.606 -3.772 -15.864 1.00 1.00 O ATOM 584 CB CYS A 38 80.985 -3.254 -12.811 1.00 1.00 C ATOM 585 SG CYS A 38 79.996 -1.999 -11.960 1.00 1.00 S ATOM 0 H CYS A 38 80.807 -0.966 -14.921 1.00 1.00 H new ATOM 0 HA CYS A 38 82.425 -1.826 -13.537 1.00 1.00 H new ATOM 0 HB2 CYS A 38 80.337 -4.035 -13.208 1.00 1.00 H new ATOM 0 HB3 CYS A 38 81.667 -3.732 -12.108 1.00 1.00 H new ATOM 590 N LYS A 39 83.357 -4.435 -13.910 1.00 1.00 N ATOM 591 CA LYS A 39 84.202 -5.490 -14.536 1.00 1.00 C ATOM 592 C LYS A 39 84.680 -6.458 -13.454 1.00 1.00 C ATOM 593 O LYS A 39 84.911 -7.624 -13.707 1.00 1.00 O ATOM 594 CB LYS A 39 85.411 -4.841 -15.221 1.00 1.00 C ATOM 595 CG LYS A 39 86.278 -4.134 -14.177 1.00 1.00 C ATOM 596 CD LYS A 39 87.508 -4.991 -13.871 1.00 1.00 C ATOM 597 CE LYS A 39 88.422 -4.243 -12.897 1.00 1.00 C ATOM 598 NZ LYS A 39 89.501 -5.157 -12.427 1.00 1.00 N ATOM 0 H LYS A 39 83.410 -4.385 -12.893 1.00 1.00 H new ATOM 0 HA LYS A 39 83.619 -6.034 -15.280 1.00 1.00 H new ATOM 0 HB2 LYS A 39 85.997 -5.599 -15.741 1.00 1.00 H new ATOM 0 HB3 LYS A 39 85.075 -4.127 -15.973 1.00 1.00 H new ATOM 0 HG2 LYS A 39 86.586 -3.156 -14.546 1.00 1.00 H new ATOM 0 HG3 LYS A 39 85.704 -3.965 -13.266 1.00 1.00 H new ATOM 0 HD2 LYS A 39 87.202 -5.944 -13.440 1.00 1.00 H new ATOM 0 HD3 LYS A 39 88.046 -5.216 -14.792 1.00 1.00 H new ATOM 0 HE2 LYS A 39 88.857 -3.371 -13.386 1.00 1.00 H new ATOM 0 HE3 LYS A 39 87.845 -3.877 -12.048 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 90.122 -4.649 -11.765 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 89.077 -5.976 -11.945 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 90.058 -5.485 -13.242 1.00 1.00 H new ATOM 612 N SER A 40 84.828 -5.984 -12.247 1.00 1.00 N ATOM 613 CA SER A 40 85.286 -6.875 -11.143 1.00 1.00 C ATOM 614 C SER A 40 84.072 -7.539 -10.492 1.00 1.00 C ATOM 615 O SER A 40 83.901 -7.499 -9.290 1.00 1.00 O ATOM 616 CB SER A 40 86.032 -6.045 -10.098 1.00 1.00 C ATOM 617 OG SER A 40 86.604 -6.914 -9.130 1.00 1.00 O ATOM 0 H SER A 40 84.651 -5.016 -11.977 1.00 1.00 H new ATOM 0 HA SER A 40 85.951 -7.641 -11.543 1.00 1.00 H new ATOM 0 HB2 SER A 40 86.811 -5.452 -10.577 1.00 1.00 H new ATOM 0 HB3 SER A 40 85.349 -5.345 -9.617 1.00 1.00 H new ATOM 0 HG SER A 40 85.891 -7.395 -8.660 1.00 1.00 H new ATOM 623 N LYS A 41 83.223 -8.148 -11.277 1.00 1.00 N ATOM 624 CA LYS A 41 82.018 -8.811 -10.703 1.00 1.00 C ATOM 625 C LYS A 41 81.664 -10.048 -11.543 1.00 1.00 C ATOM 626 O LYS A 41 81.193 -9.928 -12.656 1.00 1.00 O ATOM 627 CB LYS A 41 80.842 -7.825 -10.721 1.00 1.00 C ATOM 628 CG LYS A 41 80.583 -7.354 -12.153 1.00 1.00 C ATOM 629 CD LYS A 41 79.262 -7.942 -12.653 1.00 1.00 C ATOM 630 CE LYS A 41 79.228 -7.896 -14.182 1.00 1.00 C ATOM 631 NZ LYS A 41 80.027 -9.028 -14.731 1.00 1.00 N ATOM 0 H LYS A 41 83.313 -8.214 -12.291 1.00 1.00 H new ATOM 0 HA LYS A 41 82.222 -9.118 -9.677 1.00 1.00 H new ATOM 0 HB2 LYS A 41 79.949 -8.303 -10.318 1.00 1.00 H new ATOM 0 HB3 LYS A 41 81.062 -6.970 -10.081 1.00 1.00 H new ATOM 0 HG2 LYS A 41 80.545 -6.265 -12.188 1.00 1.00 H new ATOM 0 HG3 LYS A 41 81.401 -7.665 -12.803 1.00 1.00 H new ATOM 0 HD2 LYS A 41 79.156 -8.970 -12.307 1.00 1.00 H new ATOM 0 HD3 LYS A 41 78.423 -7.379 -12.243 1.00 1.00 H new ATOM 0 HE2 LYS A 41 78.199 -7.958 -14.536 1.00 1.00 H new ATOM 0 HE3 LYS A 41 79.630 -6.947 -14.537 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 80.716 -8.665 -15.421 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 80.531 -9.505 -13.956 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 79.392 -9.706 -15.200 1.00 1.00 H new ATOM 645 N PRO A 42 81.887 -11.232 -11.024 1.00 1.00 N ATOM 646 CA PRO A 42 81.577 -12.491 -11.756 1.00 1.00 C ATOM 647 C PRO A 42 80.087 -12.849 -11.663 1.00 1.00 C ATOM 648 O PRO A 42 79.419 -12.484 -10.716 1.00 1.00 O ATOM 649 CB PRO A 42 82.434 -13.535 -11.039 1.00 1.00 C ATOM 650 CG PRO A 42 82.561 -13.033 -9.637 1.00 1.00 C ATOM 651 CD PRO A 42 82.457 -11.504 -9.695 1.00 1.00 C ATOM 0 HA PRO A 42 81.788 -12.418 -12.823 1.00 1.00 H new ATOM 0 HB2 PRO A 42 81.963 -14.518 -11.065 1.00 1.00 H new ATOM 0 HB3 PRO A 42 83.411 -13.637 -11.512 1.00 1.00 H new ATOM 0 HG2 PRO A 42 81.775 -13.449 -9.006 1.00 1.00 H new ATOM 0 HG3 PRO A 42 83.513 -13.338 -9.203 1.00 1.00 H new ATOM 0 HD2 PRO A 42 81.818 -11.118 -8.901 1.00 1.00 H new ATOM 0 HD3 PRO A 42 83.433 -11.033 -9.576 1.00 1.00 H new ATOM 659 N PRO A 43 79.567 -13.552 -12.637 1.00 1.00 N ATOM 660 CA PRO A 43 78.129 -13.952 -12.652 1.00 1.00 C ATOM 661 C PRO A 43 77.828 -15.061 -11.639 1.00 1.00 C ATOM 662 O PRO A 43 78.393 -16.133 -11.700 1.00 1.00 O ATOM 663 CB PRO A 43 77.912 -14.456 -14.082 1.00 1.00 C ATOM 664 CG PRO A 43 79.255 -14.922 -14.537 1.00 1.00 C ATOM 665 CD PRO A 43 80.286 -14.044 -13.823 1.00 1.00 C ATOM 0 HA PRO A 43 77.472 -13.127 -12.376 1.00 1.00 H new ATOM 0 HB2 PRO A 43 77.184 -15.266 -14.108 1.00 1.00 H new ATOM 0 HB3 PRO A 43 77.530 -13.664 -14.726 1.00 1.00 H new ATOM 0 HG2 PRO A 43 79.404 -15.973 -14.291 1.00 1.00 H new ATOM 0 HG3 PRO A 43 79.351 -14.831 -15.619 1.00 1.00 H new ATOM 0 HD2 PRO A 43 81.173 -14.614 -13.545 1.00 1.00 H new ATOM 0 HD3 PRO A 43 80.620 -13.223 -14.457 1.00 1.00 H new ATOM 673 N LYS A 44 76.932 -14.805 -10.721 1.00 1.00 N ATOM 674 CA LYS A 44 76.567 -15.827 -9.691 1.00 1.00 C ATOM 675 C LYS A 44 75.936 -15.113 -8.493 1.00 1.00 C ATOM 676 O LYS A 44 74.785 -14.724 -8.523 1.00 1.00 O ATOM 677 CB LYS A 44 77.816 -16.587 -9.217 1.00 1.00 C ATOM 678 CG LYS A 44 78.969 -15.605 -9.003 1.00 1.00 C ATOM 679 CD LYS A 44 79.767 -16.015 -7.764 1.00 1.00 C ATOM 680 CE LYS A 44 80.688 -17.186 -8.114 1.00 1.00 C ATOM 681 NZ LYS A 44 79.880 -18.299 -8.687 1.00 1.00 N ATOM 0 H LYS A 44 76.431 -13.920 -10.639 1.00 1.00 H new ATOM 0 HA LYS A 44 75.867 -16.539 -10.128 1.00 1.00 H new ATOM 0 HB2 LYS A 44 77.600 -17.117 -8.289 1.00 1.00 H new ATOM 0 HB3 LYS A 44 78.098 -17.338 -9.955 1.00 1.00 H new ATOM 0 HG2 LYS A 44 79.618 -15.593 -9.879 1.00 1.00 H new ATOM 0 HG3 LYS A 44 78.581 -14.594 -8.880 1.00 1.00 H new ATOM 0 HD2 LYS A 44 80.355 -15.172 -7.402 1.00 1.00 H new ATOM 0 HD3 LYS A 44 79.089 -16.300 -6.960 1.00 1.00 H new ATOM 0 HE2 LYS A 44 81.445 -16.866 -8.830 1.00 1.00 H new ATOM 0 HE3 LYS A 44 81.216 -17.527 -7.223 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 80.367 -19.203 -8.520 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 78.945 -18.320 -8.231 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 79.763 -18.152 -9.710 1.00 1.00 H new ATOM 695 N LYS A 45 76.689 -14.931 -7.442 1.00 1.00 N ATOM 696 CA LYS A 45 76.148 -14.235 -6.239 1.00 1.00 C ATOM 697 C LYS A 45 74.755 -14.781 -5.907 1.00 1.00 C ATOM 698 O LYS A 45 74.356 -15.825 -6.383 1.00 1.00 O ATOM 699 CB LYS A 45 76.063 -12.728 -6.524 1.00 1.00 C ATOM 700 CG LYS A 45 76.390 -11.946 -5.250 1.00 1.00 C ATOM 701 CD LYS A 45 77.908 -11.856 -5.082 1.00 1.00 C ATOM 702 CE LYS A 45 78.433 -10.628 -5.828 1.00 1.00 C ATOM 703 NZ LYS A 45 79.911 -10.538 -5.659 1.00 1.00 N ATOM 0 H LYS A 45 77.659 -15.236 -7.364 1.00 1.00 H new ATOM 0 HA LYS A 45 76.808 -14.408 -5.389 1.00 1.00 H new ATOM 0 HB2 LYS A 45 76.760 -12.458 -7.318 1.00 1.00 H new ATOM 0 HB3 LYS A 45 75.064 -12.470 -6.875 1.00 1.00 H new ATOM 0 HG2 LYS A 45 75.959 -10.946 -5.304 1.00 1.00 H new ATOM 0 HG3 LYS A 45 75.946 -12.438 -4.385 1.00 1.00 H new ATOM 0 HD2 LYS A 45 78.164 -11.789 -4.025 1.00 1.00 H new ATOM 0 HD3 LYS A 45 78.381 -12.759 -5.468 1.00 1.00 H new ATOM 0 HE2 LYS A 45 78.181 -10.697 -6.886 1.00 1.00 H new ATOM 0 HE3 LYS A 45 77.957 -9.725 -5.445 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 80.268 -9.703 -6.166 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 80.140 -10.453 -4.648 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 80.357 -11.395 -6.045 1.00 1.00 H new ATOM 717 N GLY A 46 74.016 -14.082 -5.090 1.00 1.00 N ATOM 718 CA GLY A 46 72.652 -14.558 -4.722 1.00 1.00 C ATOM 719 C GLY A 46 71.850 -14.852 -5.990 1.00 1.00 C ATOM 720 O GLY A 46 72.355 -14.765 -7.092 1.00 1.00 O ATOM 0 H GLY A 46 74.298 -13.201 -4.661 1.00 1.00 H new ATOM 0 HA2 GLY A 46 72.723 -15.456 -4.108 1.00 1.00 H new ATOM 0 HA3 GLY A 46 72.142 -13.803 -4.124 1.00 1.00 H new ATOM 724 N VAL A 47 70.601 -15.202 -5.844 1.00 1.00 N ATOM 725 CA VAL A 47 69.764 -15.503 -7.040 1.00 1.00 C ATOM 726 C VAL A 47 69.549 -14.220 -7.847 1.00 1.00 C ATOM 727 O VAL A 47 70.476 -13.663 -8.401 1.00 1.00 O ATOM 728 CB VAL A 47 68.412 -16.061 -6.587 1.00 1.00 C ATOM 729 CG1 VAL A 47 68.577 -17.523 -6.168 1.00 1.00 C ATOM 730 CG2 VAL A 47 67.898 -15.246 -5.398 1.00 1.00 C ATOM 0 H VAL A 47 70.124 -15.293 -4.947 1.00 1.00 H new ATOM 0 HA VAL A 47 70.268 -16.241 -7.664 1.00 1.00 H new ATOM 0 HB VAL A 47 67.699 -15.997 -7.409 1.00 1.00 H new ATOM 0 HG11 VAL A 47 67.614 -17.920 -5.846 1.00 1.00 H new ATOM 0 HG12 VAL A 47 68.945 -18.105 -7.013 1.00 1.00 H new ATOM 0 HG13 VAL A 47 69.290 -17.588 -5.346 1.00 1.00 H new ATOM 0 HG21 VAL A 47 66.935 -15.642 -5.074 1.00 1.00 H new ATOM 0 HG22 VAL A 47 68.612 -15.311 -4.577 1.00 1.00 H new ATOM 0 HG23 VAL A 47 67.780 -14.204 -5.695 1.00 1.00 H new ATOM 740 N GLN A 48 68.332 -13.747 -7.918 1.00 1.00 N ATOM 741 CA GLN A 48 68.050 -12.500 -8.688 1.00 1.00 C ATOM 742 C GLN A 48 67.188 -11.566 -7.836 1.00 1.00 C ATOM 743 O GLN A 48 65.986 -11.496 -7.997 1.00 1.00 O ATOM 744 CB GLN A 48 67.299 -12.853 -9.974 1.00 1.00 C ATOM 745 CG GLN A 48 68.098 -13.891 -10.764 1.00 1.00 C ATOM 746 CD GLN A 48 69.372 -13.246 -11.313 1.00 1.00 C ATOM 747 OE1 GLN A 48 69.308 -12.524 -12.397 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 70.437 -13.401 -10.748 1.00 1.00 N flip ATOM 0 H GLN A 48 67.518 -14.173 -7.474 1.00 1.00 H new ATOM 0 HA GLN A 48 68.988 -12.006 -8.940 1.00 1.00 H new ATOM 0 HB2 GLN A 48 66.311 -13.245 -9.734 1.00 1.00 H new ATOM 0 HB3 GLN A 48 67.149 -11.958 -10.577 1.00 1.00 H new ATOM 0 HG2 GLN A 48 68.352 -14.735 -10.122 1.00 1.00 H new ATOM 0 HG3 GLN A 48 67.495 -14.284 -11.583 1.00 1.00 H new ATOM 0 HE21 GLN A 48 70.487 -13.966 -9.900 1.00 1.00 H new ATOM 0 HE22 GLN A 48 71.281 -12.966 -11.122 1.00 1.00 H new ATOM 757 N GLY A 49 67.793 -10.851 -6.929 1.00 1.00 N ATOM 758 CA GLY A 49 67.010 -9.924 -6.064 1.00 1.00 C ATOM 759 C GLY A 49 66.272 -8.906 -6.935 1.00 1.00 C ATOM 760 O GLY A 49 65.389 -8.209 -6.476 1.00 1.00 O ATOM 0 H GLY A 49 68.797 -10.868 -6.749 1.00 1.00 H new ATOM 0 HA2 GLY A 49 66.297 -10.488 -5.463 1.00 1.00 H new ATOM 0 HA3 GLY A 49 67.675 -9.409 -5.370 1.00 1.00 H new ATOM 764 N CYS A 50 66.626 -8.812 -8.187 1.00 1.00 N ATOM 765 CA CYS A 50 65.942 -7.835 -9.080 1.00 1.00 C ATOM 766 C CYS A 50 66.686 -7.763 -10.417 1.00 1.00 C ATOM 767 O CYS A 50 66.285 -7.066 -11.328 1.00 1.00 O ATOM 768 CB CYS A 50 65.928 -6.456 -8.402 1.00 1.00 C ATOM 769 SG CYS A 50 66.253 -5.168 -9.632 1.00 1.00 S ATOM 0 H CYS A 50 67.358 -9.368 -8.630 1.00 1.00 H new ATOM 0 HA CYS A 50 64.915 -8.152 -9.264 1.00 1.00 H new ATOM 0 HB2 CYS A 50 64.962 -6.283 -7.927 1.00 1.00 H new ATOM 0 HB3 CYS A 50 66.681 -6.419 -7.615 1.00 1.00 H new ATOM 774 N GLY A 51 67.763 -8.488 -10.546 1.00 1.00 N ATOM 775 CA GLY A 51 68.532 -8.469 -11.825 1.00 1.00 C ATOM 776 C GLY A 51 67.598 -8.759 -13.005 1.00 1.00 C ATOM 777 O GLY A 51 68.014 -8.754 -14.147 1.00 1.00 O ATOM 0 H GLY A 51 68.145 -9.094 -9.820 1.00 1.00 H new ATOM 0 HA2 GLY A 51 69.008 -7.497 -11.958 1.00 1.00 H new ATOM 0 HA3 GLY A 51 69.329 -9.212 -11.791 1.00 1.00 H new ATOM 781 N ASP A 52 66.342 -9.013 -12.744 1.00 1.00 N ATOM 782 CA ASP A 52 65.388 -9.304 -13.856 1.00 1.00 C ATOM 783 C ASP A 52 64.063 -8.581 -13.599 1.00 1.00 C ATOM 784 O ASP A 52 63.070 -8.838 -14.251 1.00 1.00 O ATOM 785 CB ASP A 52 65.138 -10.812 -13.931 1.00 1.00 C ATOM 786 CG ASP A 52 64.831 -11.350 -12.532 1.00 1.00 C ATOM 787 OD1 ASP A 52 64.852 -10.564 -11.599 1.00 1.00 O ATOM 788 OD2 ASP A 52 64.581 -12.538 -12.417 1.00 1.00 O ATOM 0 H ASP A 52 65.935 -9.032 -11.809 1.00 1.00 H new ATOM 0 HA ASP A 52 65.813 -8.957 -14.798 1.00 1.00 H new ATOM 0 HB2 ASP A 52 64.305 -11.020 -14.603 1.00 1.00 H new ATOM 0 HB3 ASP A 52 66.013 -11.316 -14.342 1.00 1.00 H new ATOM 793 N ASP A 53 64.037 -7.679 -12.655 1.00 1.00 N ATOM 794 CA ASP A 53 62.774 -6.943 -12.360 1.00 1.00 C ATOM 795 C ASP A 53 62.680 -5.707 -13.259 1.00 1.00 C ATOM 796 O ASP A 53 62.972 -5.763 -14.437 1.00 1.00 O ATOM 797 CB ASP A 53 62.767 -6.510 -10.892 1.00 1.00 C ATOM 798 CG ASP A 53 61.362 -6.046 -10.502 1.00 1.00 C ATOM 799 OD1 ASP A 53 60.444 -6.842 -10.616 1.00 1.00 O ATOM 800 OD2 ASP A 53 61.228 -4.903 -10.097 1.00 1.00 O ATOM 0 H ASP A 53 64.836 -7.420 -12.076 1.00 1.00 H new ATOM 0 HA ASP A 53 61.921 -7.595 -12.550 1.00 1.00 H new ATOM 0 HB2 ASP A 53 63.077 -7.339 -10.256 1.00 1.00 H new ATOM 0 HB3 ASP A 53 63.484 -5.704 -10.736 1.00 1.00 H new ATOM 805 N ILE A 54 62.274 -4.590 -12.712 1.00 1.00 N ATOM 806 CA ILE A 54 62.159 -3.348 -13.534 1.00 1.00 C ATOM 807 C ILE A 54 62.681 -2.153 -12.731 1.00 1.00 C ATOM 808 O ILE A 54 61.917 -1.386 -12.180 1.00 1.00 O ATOM 809 CB ILE A 54 60.691 -3.106 -13.899 1.00 1.00 C ATOM 810 CG1 ILE A 54 60.094 -4.388 -14.484 1.00 1.00 C ATOM 811 CG2 ILE A 54 60.600 -1.984 -14.935 1.00 1.00 C ATOM 812 CD1 ILE A 54 59.493 -5.232 -13.359 1.00 1.00 C ATOM 0 H ILE A 54 62.017 -4.484 -11.731 1.00 1.00 H new ATOM 0 HA ILE A 54 62.747 -3.464 -14.444 1.00 1.00 H new ATOM 0 HB ILE A 54 60.137 -2.820 -13.005 1.00 1.00 H new ATOM 0 HG12 ILE A 54 59.327 -4.142 -15.218 1.00 1.00 H new ATOM 0 HG13 ILE A 54 60.865 -4.955 -15.006 1.00 1.00 H new ATOM 0 HG21 ILE A 54 59.555 -1.812 -15.194 1.00 1.00 H new ATOM 0 HG22 ILE A 54 61.026 -1.070 -14.520 1.00 1.00 H new ATOM 0 HG23 ILE A 54 61.154 -2.269 -15.830 1.00 1.00 H new ATOM 0 HD11 ILE A 54 59.068 -6.145 -13.776 1.00 1.00 H new ATOM 0 HD12 ILE A 54 60.272 -5.489 -12.641 1.00 1.00 H new ATOM 0 HD13 ILE A 54 58.710 -4.664 -12.856 1.00 1.00 H new ATOM 824 N PRO A 55 63.976 -1.998 -12.672 1.00 1.00 N ATOM 825 CA PRO A 55 64.624 -0.884 -11.934 1.00 1.00 C ATOM 826 C PRO A 55 64.768 0.375 -12.797 1.00 1.00 C ATOM 827 O PRO A 55 64.574 0.342 -13.997 1.00 1.00 O ATOM 828 CB PRO A 55 65.996 -1.459 -11.586 1.00 1.00 C ATOM 829 CG PRO A 55 66.308 -2.432 -12.678 1.00 1.00 C ATOM 830 CD PRO A 55 64.976 -2.875 -13.299 1.00 1.00 C ATOM 0 HA PRO A 55 64.045 -0.566 -11.067 1.00 1.00 H new ATOM 0 HB2 PRO A 55 66.749 -0.673 -11.533 1.00 1.00 H new ATOM 0 HB3 PRO A 55 65.980 -1.951 -10.614 1.00 1.00 H new ATOM 0 HG2 PRO A 55 66.947 -1.971 -13.431 1.00 1.00 H new ATOM 0 HG3 PRO A 55 66.850 -3.291 -12.282 1.00 1.00 H new ATOM 0 HD2 PRO A 55 64.984 -2.759 -14.383 1.00 1.00 H new ATOM 0 HD3 PRO A 55 64.770 -3.925 -13.092 1.00 1.00 H new ATOM 838 N GLY A 56 65.113 1.482 -12.197 1.00 1.00 N ATOM 839 CA GLY A 56 65.277 2.738 -12.983 1.00 1.00 C ATOM 840 C GLY A 56 63.946 3.491 -13.047 1.00 1.00 C ATOM 841 O GLY A 56 63.903 4.662 -13.365 1.00 1.00 O ATOM 0 H GLY A 56 65.288 1.571 -11.196 1.00 1.00 H new ATOM 0 HA2 GLY A 56 66.039 3.368 -12.524 1.00 1.00 H new ATOM 0 HA3 GLY A 56 65.621 2.504 -13.990 1.00 1.00 H new ATOM 845 N MET A 57 62.858 2.833 -12.750 1.00 1.00 N ATOM 846 CA MET A 57 61.540 3.527 -12.803 1.00 1.00 C ATOM 847 C MET A 57 61.479 4.599 -11.710 1.00 1.00 C ATOM 848 O MET A 57 61.430 5.777 -11.996 1.00 1.00 O ATOM 849 CB MET A 57 60.405 2.513 -12.609 1.00 1.00 C ATOM 850 CG MET A 57 60.606 1.759 -11.293 1.00 1.00 C ATOM 851 SD MET A 57 59.826 0.130 -11.406 1.00 1.00 S ATOM 852 CE MET A 57 58.120 0.707 -11.586 1.00 1.00 C ATOM 0 H MET A 57 62.825 1.851 -12.475 1.00 1.00 H new ATOM 0 HA MET A 57 61.423 4.002 -13.777 1.00 1.00 H new ATOM 0 HB2 MET A 57 59.443 3.026 -12.602 1.00 1.00 H new ATOM 0 HB3 MET A 57 60.386 1.811 -13.442 1.00 1.00 H new ATOM 0 HG2 MET A 57 61.670 1.651 -11.082 1.00 1.00 H new ATOM 0 HG3 MET A 57 60.174 2.325 -10.468 1.00 1.00 H new ATOM 0 HE1 MET A 57 57.434 -0.118 -11.390 1.00 1.00 H new ATOM 0 HE2 MET A 57 57.931 1.512 -10.876 1.00 1.00 H new ATOM 0 HE3 MET A 57 57.965 1.075 -12.600 1.00 1.00 H new ATOM 862 N GLU A 58 61.487 4.197 -10.464 1.00 1.00 N ATOM 863 CA GLU A 58 61.432 5.182 -9.339 1.00 1.00 C ATOM 864 C GLU A 58 60.911 4.475 -8.084 1.00 1.00 C ATOM 865 O GLU A 58 59.747 4.138 -7.988 1.00 1.00 O ATOM 866 CB GLU A 58 60.497 6.348 -9.704 1.00 1.00 C ATOM 867 CG GLU A 58 59.956 6.992 -8.426 1.00 1.00 C ATOM 868 CD GLU A 58 59.462 8.406 -8.736 1.00 1.00 C ATOM 869 OE1 GLU A 58 60.179 9.129 -9.407 1.00 1.00 O ATOM 870 OE2 GLU A 58 58.374 8.742 -8.296 1.00 1.00 O ATOM 0 H GLU A 58 61.530 3.220 -10.175 1.00 1.00 H new ATOM 0 HA GLU A 58 62.430 5.579 -9.153 1.00 1.00 H new ATOM 0 HB2 GLU A 58 61.036 7.088 -10.296 1.00 1.00 H new ATOM 0 HB3 GLU A 58 59.672 5.987 -10.319 1.00 1.00 H new ATOM 0 HG2 GLU A 58 59.142 6.392 -8.020 1.00 1.00 H new ATOM 0 HG3 GLU A 58 60.736 7.027 -7.665 1.00 1.00 H new ATOM 877 N GLY A 59 61.764 4.247 -7.120 1.00 1.00 N ATOM 878 CA GLY A 59 61.321 3.560 -5.870 1.00 1.00 C ATOM 879 C GLY A 59 61.711 2.082 -5.935 1.00 1.00 C ATOM 880 O GLY A 59 60.973 1.215 -5.508 1.00 1.00 O ATOM 0 H GLY A 59 62.750 4.507 -7.144 1.00 1.00 H new ATOM 0 HA2 GLY A 59 61.781 4.031 -5.001 1.00 1.00 H new ATOM 0 HA3 GLY A 59 60.242 3.658 -5.752 1.00 1.00 H new ATOM 884 N CYS A 60 62.865 1.787 -6.467 1.00 1.00 N ATOM 885 CA CYS A 60 63.306 0.367 -6.564 1.00 1.00 C ATOM 886 C CYS A 60 63.112 -0.324 -5.213 1.00 1.00 C ATOM 887 O CYS A 60 63.064 0.313 -4.180 1.00 1.00 O ATOM 888 CB CYS A 60 64.785 0.320 -6.955 1.00 1.00 C ATOM 889 SG CYS A 60 65.070 1.419 -8.365 1.00 1.00 S ATOM 0 H CYS A 60 63.524 2.471 -6.840 1.00 1.00 H new ATOM 0 HA CYS A 60 62.713 -0.147 -7.320 1.00 1.00 H new ATOM 0 HB2 CYS A 60 65.405 0.624 -6.112 1.00 1.00 H new ATOM 0 HB3 CYS A 60 65.073 -0.700 -7.211 1.00 1.00 H new ATOM 894 N GLY A 61 63.000 -1.624 -5.215 1.00 1.00 N ATOM 895 CA GLY A 61 62.808 -2.358 -3.933 1.00 1.00 C ATOM 896 C GLY A 61 61.646 -1.735 -3.157 1.00 1.00 C ATOM 897 O GLY A 61 61.789 -1.344 -2.016 1.00 1.00 O ATOM 0 H GLY A 61 63.033 -2.210 -6.050 1.00 1.00 H new ATOM 0 HA2 GLY A 61 62.604 -3.410 -4.131 1.00 1.00 H new ATOM 0 HA3 GLY A 61 63.720 -2.317 -3.338 1.00 1.00 H new ATOM 901 N THR A 62 60.496 -1.635 -3.768 1.00 1.00 N ATOM 902 CA THR A 62 59.331 -1.030 -3.063 1.00 1.00 C ATOM 903 C THR A 62 59.177 -1.660 -1.684 1.00 1.00 C ATOM 904 O THR A 62 58.490 -1.135 -0.831 1.00 1.00 O ATOM 905 CB THR A 62 58.057 -1.265 -3.867 1.00 1.00 C ATOM 906 OG1 THR A 62 57.527 -2.543 -3.546 1.00 1.00 O ATOM 907 CG2 THR A 62 58.375 -1.202 -5.362 1.00 1.00 C ATOM 0 H THR A 62 60.314 -1.945 -4.722 1.00 1.00 H new ATOM 0 HA THR A 62 59.501 0.041 -2.958 1.00 1.00 H new ATOM 0 HB THR A 62 57.325 -0.495 -3.622 1.00 1.00 H new ATOM 0 HG1 THR A 62 56.707 -2.696 -4.060 1.00 1.00 H new ATOM 0 HG21 THR A 62 57.463 -1.370 -5.935 1.00 1.00 H new ATOM 0 HG22 THR A 62 58.782 -0.221 -5.606 1.00 1.00 H new ATOM 0 HG23 THR A 62 59.107 -1.970 -5.611 1.00 1.00 H new ATOM 915 N ASP A 63 59.817 -2.772 -1.449 1.00 1.00 N ATOM 916 CA ASP A 63 59.711 -3.408 -0.109 1.00 1.00 C ATOM 917 C ASP A 63 60.430 -2.507 0.891 1.00 1.00 C ATOM 918 O ASP A 63 61.205 -2.959 1.706 1.00 1.00 O ATOM 919 CB ASP A 63 60.375 -4.786 -0.137 1.00 1.00 C ATOM 920 CG ASP A 63 59.832 -5.591 -1.319 1.00 1.00 C ATOM 921 OD1 ASP A 63 58.650 -5.894 -1.311 1.00 1.00 O ATOM 922 OD2 ASP A 63 60.606 -5.891 -2.212 1.00 1.00 O ATOM 0 H ASP A 63 60.404 -3.264 -2.122 1.00 1.00 H new ATOM 0 HA ASP A 63 58.666 -3.534 0.174 1.00 1.00 H new ATOM 0 HB2 ASP A 63 61.456 -4.679 -0.223 1.00 1.00 H new ATOM 0 HB3 ASP A 63 60.180 -5.314 0.796 1.00 1.00 H new ATOM 927 N ILE A 64 60.188 -1.225 0.796 1.00 1.00 N ATOM 928 CA ILE A 64 60.855 -0.237 1.694 1.00 1.00 C ATOM 929 C ILE A 64 62.254 0.033 1.171 1.00 1.00 C ATOM 930 O ILE A 64 63.220 -0.584 1.574 1.00 1.00 O ATOM 931 CB ILE A 64 60.920 -0.735 3.136 1.00 1.00 C ATOM 932 CG1 ILE A 64 59.511 -1.092 3.615 1.00 1.00 C ATOM 933 CG2 ILE A 64 61.498 0.363 4.030 1.00 1.00 C ATOM 934 CD1 ILE A 64 59.595 -1.792 4.973 1.00 1.00 C ATOM 0 H ILE A 64 59.544 -0.814 0.120 1.00 1.00 H new ATOM 0 HA ILE A 64 60.268 0.682 1.696 1.00 1.00 H new ATOM 0 HB ILE A 64 61.557 -1.618 3.187 1.00 1.00 H new ATOM 0 HG12 ILE A 64 58.904 -0.190 3.696 1.00 1.00 H new ATOM 0 HG13 ILE A 64 59.022 -1.742 2.889 1.00 1.00 H new ATOM 0 HG21 ILE A 64 61.544 0.007 5.059 1.00 1.00 H new ATOM 0 HG22 ILE A 64 62.501 0.619 3.689 1.00 1.00 H new ATOM 0 HG23 ILE A 64 60.861 1.246 3.980 1.00 1.00 H new ATOM 0 HD11 ILE A 64 58.591 -2.046 5.314 1.00 1.00 H new ATOM 0 HD12 ILE A 64 60.187 -2.702 4.877 1.00 1.00 H new ATOM 0 HD13 ILE A 64 60.066 -1.127 5.697 1.00 1.00 H new ATOM 946 N THR A 65 62.359 0.953 0.261 1.00 1.00 N ATOM 947 CA THR A 65 63.682 1.281 -0.322 1.00 1.00 C ATOM 948 C THR A 65 64.632 1.760 0.761 1.00 1.00 C ATOM 949 O THR A 65 65.453 1.007 1.245 1.00 1.00 O ATOM 950 CB THR A 65 63.514 2.382 -1.361 1.00 1.00 C ATOM 951 OG1 THR A 65 64.705 3.152 -1.428 1.00 1.00 O ATOM 952 CG2 THR A 65 62.342 3.283 -0.968 1.00 1.00 C ATOM 0 H THR A 65 61.578 1.496 -0.107 1.00 1.00 H new ATOM 0 HA THR A 65 64.095 0.386 -0.787 1.00 1.00 H new ATOM 0 HB THR A 65 63.314 1.936 -2.335 1.00 1.00 H new ATOM 0 HG1 THR A 65 64.600 3.860 -2.097 1.00 1.00 H new ATOM 0 HG21 THR A 65 62.223 4.070 -1.712 1.00 1.00 H new ATOM 0 HG22 THR A 65 61.429 2.690 -0.917 1.00 1.00 H new ATOM 0 HG23 THR A 65 62.538 3.731 0.006 1.00 1.00 H new ATOM 960 N VAL A 66 64.537 3.010 1.138 1.00 1.00 N ATOM 961 CA VAL A 66 65.443 3.542 2.191 1.00 1.00 C ATOM 962 C VAL A 66 65.839 2.398 3.116 1.00 1.00 C ATOM 963 O VAL A 66 66.984 2.260 3.498 1.00 1.00 O ATOM 964 CB VAL A 66 64.722 4.629 2.992 1.00 1.00 C ATOM 965 CG1 VAL A 66 64.447 5.832 2.088 1.00 1.00 C ATOM 966 CG2 VAL A 66 63.397 4.076 3.521 1.00 1.00 C ATOM 0 H VAL A 66 63.870 3.682 0.760 1.00 1.00 H new ATOM 0 HA VAL A 66 66.333 3.974 1.733 1.00 1.00 H new ATOM 0 HB VAL A 66 65.348 4.939 3.829 1.00 1.00 H new ATOM 0 HG11 VAL A 66 63.934 6.606 2.658 1.00 1.00 H new ATOM 0 HG12 VAL A 66 65.390 6.226 1.709 1.00 1.00 H new ATOM 0 HG13 VAL A 66 63.821 5.523 1.251 1.00 1.00 H new ATOM 0 HG21 VAL A 66 62.882 4.849 4.092 1.00 1.00 H new ATOM 0 HG22 VAL A 66 62.772 3.766 2.684 1.00 1.00 H new ATOM 0 HG23 VAL A 66 63.592 3.218 4.165 1.00 1.00 H new ATOM 976 N ILE A 67 64.899 1.551 3.450 1.00 1.00 N ATOM 977 CA ILE A 67 65.236 0.384 4.320 1.00 1.00 C ATOM 978 C ILE A 67 64.506 -0.871 3.835 1.00 1.00 C ATOM 979 O ILE A 67 63.455 -1.215 4.332 1.00 1.00 O ATOM 980 CB ILE A 67 64.825 0.671 5.765 1.00 1.00 C ATOM 981 CG1 ILE A 67 65.583 1.898 6.275 1.00 1.00 C ATOM 982 CG2 ILE A 67 65.163 -0.536 6.642 1.00 1.00 C ATOM 983 CD1 ILE A 67 65.063 2.280 7.663 1.00 1.00 C ATOM 0 H ILE A 67 63.923 1.615 3.162 1.00 1.00 H new ATOM 0 HA ILE A 67 66.312 0.219 4.269 1.00 1.00 H new ATOM 0 HB ILE A 67 63.752 0.861 5.806 1.00 1.00 H new ATOM 0 HG12 ILE A 67 66.651 1.685 6.321 1.00 1.00 H new ATOM 0 HG13 ILE A 67 65.453 2.731 5.585 1.00 1.00 H new ATOM 0 HG21 ILE A 67 64.870 -0.331 7.672 1.00 1.00 H new ATOM 0 HG22 ILE A 67 64.625 -1.412 6.279 1.00 1.00 H new ATOM 0 HG23 ILE A 67 66.235 -0.727 6.601 1.00 1.00 H new ATOM 0 HD11 ILE A 67 65.603 3.154 8.026 1.00 1.00 H new ATOM 0 HD12 ILE A 67 63.999 2.510 7.602 1.00 1.00 H new ATOM 0 HD13 ILE A 67 65.216 1.448 8.350 1.00 1.00 H new ATOM 995 N CYS A 68 65.070 -1.584 2.906 1.00 1.00 N ATOM 996 CA CYS A 68 64.417 -2.837 2.431 1.00 1.00 C ATOM 997 C CYS A 68 64.944 -4.013 3.258 1.00 1.00 C ATOM 998 O CYS A 68 66.070 -3.998 3.714 1.00 1.00 O ATOM 999 CB CYS A 68 64.744 -3.054 0.949 1.00 1.00 C ATOM 1000 SG CYS A 68 66.390 -3.791 0.793 1.00 1.00 S ATOM 0 H CYS A 68 65.955 -1.356 2.453 1.00 1.00 H new ATOM 0 HA CYS A 68 63.336 -2.762 2.548 1.00 1.00 H new ATOM 0 HB2 CYS A 68 63.998 -3.705 0.493 1.00 1.00 H new ATOM 0 HB3 CYS A 68 64.707 -2.104 0.415 1.00 1.00 H new ATOM 1005 N PRO A 69 64.145 -5.030 3.467 1.00 1.00 N ATOM 1006 CA PRO A 69 64.570 -6.213 4.265 1.00 1.00 C ATOM 1007 C PRO A 69 65.923 -6.749 3.790 1.00 1.00 C ATOM 1008 O PRO A 69 66.696 -7.288 4.557 1.00 1.00 O ATOM 1009 CB PRO A 69 63.454 -7.253 4.045 1.00 1.00 C ATOM 1010 CG PRO A 69 62.550 -6.688 2.994 1.00 1.00 C ATOM 1011 CD PRO A 69 62.771 -5.174 2.972 1.00 1.00 C ATOM 0 HA PRO A 69 64.704 -5.968 5.319 1.00 1.00 H new ATOM 0 HB2 PRO A 69 63.871 -8.208 3.726 1.00 1.00 H new ATOM 0 HB3 PRO A 69 62.907 -7.437 4.970 1.00 1.00 H new ATOM 0 HG2 PRO A 69 62.773 -7.123 2.020 1.00 1.00 H new ATOM 0 HG3 PRO A 69 61.509 -6.921 3.216 1.00 1.00 H new ATOM 0 HD2 PRO A 69 62.660 -4.765 1.968 1.00 1.00 H new ATOM 0 HD3 PRO A 69 62.056 -4.653 3.609 1.00 1.00 H new ATOM 1019 N TRP A 70 66.212 -6.598 2.527 1.00 1.00 N ATOM 1020 CA TRP A 70 67.512 -7.087 1.992 1.00 1.00 C ATOM 1021 C TRP A 70 68.610 -6.063 2.305 1.00 1.00 C ATOM 1022 O TRP A 70 69.779 -6.306 2.084 1.00 1.00 O ATOM 1023 CB TRP A 70 67.389 -7.272 0.475 1.00 1.00 C ATOM 1024 CG TRP A 70 68.695 -7.738 -0.083 1.00 1.00 C ATOM 1025 CD1 TRP A 70 69.665 -8.360 0.625 1.00 1.00 C ATOM 1026 CD2 TRP A 70 69.191 -7.632 -1.450 1.00 1.00 C ATOM 1027 NE1 TRP A 70 70.724 -8.642 -0.217 1.00 1.00 N ATOM 1028 CE2 TRP A 70 70.481 -8.214 -1.507 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.654 -7.094 -2.632 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 71.211 -8.259 -2.698 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 69.384 -7.138 -3.829 1.00 1.00 C ATOM 1032 CH2 TRP A 70 70.659 -7.718 -3.863 1.00 1.00 C ATOM 0 H TRP A 70 65.601 -6.155 1.841 1.00 1.00 H new ATOM 0 HA TRP A 70 67.771 -8.039 2.455 1.00 1.00 H new ATOM 0 HB2 TRP A 70 66.607 -7.997 0.250 1.00 1.00 H new ATOM 0 HB3 TRP A 70 67.097 -6.332 0.007 1.00 1.00 H new ATOM 0 HD1 TRP A 70 69.619 -8.598 1.678 1.00 1.00 H new ATOM 0 HE1 TRP A 70 71.581 -9.110 0.079 1.00 1.00 H new ATOM 0 HE3 TRP A 70 67.673 -6.644 -2.619 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 72.193 -8.708 -2.718 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 68.960 -6.722 -4.731 1.00 1.00 H new ATOM 0 HH2 TRP A 70 71.215 -7.747 -4.788 1.00 1.00 H new ATOM 1043 N GLU A 71 68.244 -4.915 2.816 1.00 1.00 N ATOM 1044 CA GLU A 71 69.270 -3.881 3.135 1.00 1.00 C ATOM 1045 C GLU A 71 69.952 -4.228 4.461 1.00 1.00 C ATOM 1046 O GLU A 71 71.124 -3.974 4.652 1.00 1.00 O ATOM 1047 CB GLU A 71 68.596 -2.507 3.250 1.00 1.00 C ATOM 1048 CG GLU A 71 69.584 -1.416 2.831 1.00 1.00 C ATOM 1049 CD GLU A 71 69.067 -0.053 3.296 1.00 1.00 C ATOM 1050 OE1 GLU A 71 69.230 0.253 4.465 1.00 1.00 O ATOM 1051 OE2 GLU A 71 68.518 0.661 2.473 1.00 1.00 O ATOM 0 H GLU A 71 67.281 -4.651 3.025 1.00 1.00 H new ATOM 0 HA GLU A 71 70.015 -3.854 2.340 1.00 1.00 H new ATOM 0 HB2 GLU A 71 67.709 -2.471 2.617 1.00 1.00 H new ATOM 0 HB3 GLU A 71 68.264 -2.338 4.274 1.00 1.00 H new ATOM 0 HG2 GLU A 71 70.564 -1.612 3.265 1.00 1.00 H new ATOM 0 HG3 GLU A 71 69.708 -1.420 1.748 1.00 1.00 H new ATOM 1058 N ALA A 72 69.224 -4.802 5.379 1.00 1.00 N ATOM 1059 CA ALA A 72 69.826 -5.159 6.693 1.00 1.00 C ATOM 1060 C ALA A 72 70.810 -6.317 6.511 1.00 1.00 C ATOM 1061 O ALA A 72 70.675 -7.359 7.120 1.00 1.00 O ATOM 1062 CB ALA A 72 68.720 -5.580 7.663 1.00 1.00 C ATOM 0 H ALA A 72 68.237 -5.039 5.275 1.00 1.00 H new ATOM 0 HA ALA A 72 70.355 -4.294 7.094 1.00 1.00 H new ATOM 0 HB1 ALA A 72 69.160 -5.842 8.625 1.00 1.00 H new ATOM 0 HB2 ALA A 72 68.020 -4.755 7.796 1.00 1.00 H new ATOM 0 HB3 ALA A 72 68.191 -6.443 7.259 1.00 1.00 H new ATOM 1068 N CYS A 73 71.802 -6.142 5.681 1.00 1.00 N ATOM 1069 CA CYS A 73 72.793 -7.234 5.470 1.00 1.00 C ATOM 1070 C CYS A 73 73.593 -7.446 6.756 1.00 1.00 C ATOM 1071 O CYS A 73 74.537 -8.209 6.793 1.00 1.00 O ATOM 1072 CB CYS A 73 73.742 -6.850 4.332 1.00 1.00 C ATOM 1073 SG CYS A 73 74.498 -8.345 3.646 1.00 1.00 S ATOM 0 H CYS A 73 71.968 -5.292 5.142 1.00 1.00 H new ATOM 0 HA CYS A 73 72.272 -8.155 5.209 1.00 1.00 H new ATOM 0 HB2 CYS A 73 73.197 -6.316 3.554 1.00 1.00 H new ATOM 0 HB3 CYS A 73 74.515 -6.175 4.701 1.00 1.00 H new ATOM 1078 N ASN A 74 73.218 -6.770 7.809 1.00 1.00 N ATOM 1079 CA ASN A 74 73.947 -6.920 9.102 1.00 1.00 C ATOM 1080 C ASN A 74 75.370 -6.373 8.954 1.00 1.00 C ATOM 1081 O ASN A 74 75.570 -5.185 8.797 1.00 1.00 O ATOM 1082 CB ASN A 74 73.988 -8.400 9.501 1.00 1.00 C ATOM 1083 CG ASN A 74 72.617 -9.032 9.253 1.00 1.00 C ATOM 1084 OD1 ASN A 74 72.513 -10.042 8.585 1.00 1.00 O ATOM 1085 ND2 ASN A 74 71.554 -8.477 9.766 1.00 1.00 N ATOM 0 H ASN A 74 72.434 -6.117 7.829 1.00 1.00 H new ATOM 0 HA ASN A 74 73.430 -6.358 9.880 1.00 1.00 H new ATOM 0 HB2 ASN A 74 74.751 -8.922 8.924 1.00 1.00 H new ATOM 0 HB3 ASN A 74 74.261 -8.497 10.552 1.00 1.00 H new ATOM 0 HD21 ASN A 74 70.635 -8.891 9.607 1.00 1.00 H new ATOM 0 HD22 ASN A 74 71.641 -7.629 10.327 1.00 1.00 H new ATOM 1092 N HIS A 75 76.361 -7.223 9.005 1.00 1.00 N ATOM 1093 CA HIS A 75 77.766 -6.741 8.868 1.00 1.00 C ATOM 1094 C HIS A 75 77.852 -5.743 7.709 1.00 1.00 C ATOM 1095 O HIS A 75 77.239 -5.921 6.675 1.00 1.00 O ATOM 1096 CB HIS A 75 78.691 -7.937 8.595 1.00 1.00 C ATOM 1097 CG HIS A 75 79.389 -8.331 9.867 1.00 1.00 C ATOM 1098 ND1 HIS A 75 80.290 -7.492 10.506 1.00 1.00 N ATOM 1099 CD2 HIS A 75 79.330 -9.471 10.632 1.00 1.00 C ATOM 1100 CE1 HIS A 75 80.734 -8.131 11.604 1.00 1.00 C ATOM 1101 NE2 HIS A 75 80.180 -9.339 11.726 1.00 1.00 N ATOM 0 H HIS A 75 76.258 -8.229 9.136 1.00 1.00 H new ATOM 0 HA HIS A 75 78.076 -6.249 9.790 1.00 1.00 H new ATOM 0 HB2 HIS A 75 78.113 -8.777 8.210 1.00 1.00 H new ATOM 0 HB3 HIS A 75 79.424 -7.677 7.831 1.00 1.00 H new ATOM 0 HD2 HIS A 75 78.719 -10.335 10.418 1.00 1.00 H new ATOM 0 HE1 HIS A 75 81.449 -7.718 12.300 1.00 1.00 H new ATOM 0 HE2 HIS A 75 80.345 -10.022 12.466 1.00 1.00 H new ATOM 1110 N CYS A 76 78.607 -4.691 7.878 1.00 1.00 N ATOM 1111 CA CYS A 76 78.732 -3.678 6.793 1.00 1.00 C ATOM 1112 C CYS A 76 79.739 -2.605 7.216 1.00 1.00 C ATOM 1113 O CYS A 76 80.813 -2.492 6.657 1.00 1.00 O ATOM 1114 CB CYS A 76 77.366 -3.030 6.536 1.00 1.00 C ATOM 1115 SG CYS A 76 77.052 -2.970 4.754 1.00 1.00 S ATOM 0 H CYS A 76 79.143 -4.490 8.722 1.00 1.00 H new ATOM 0 HA CYS A 76 79.078 -4.162 5.880 1.00 1.00 H new ATOM 0 HB2 CYS A 76 76.582 -3.599 7.035 1.00 1.00 H new ATOM 0 HB3 CYS A 76 77.345 -2.024 6.954 1.00 1.00 H new ATOM 1120 N GLU A 77 79.399 -1.815 8.199 1.00 1.00 N ATOM 1121 CA GLU A 77 80.334 -0.749 8.657 1.00 1.00 C ATOM 1122 C GLU A 77 81.508 -1.384 9.408 1.00 1.00 C ATOM 1123 O GLU A 77 81.326 -2.146 10.337 1.00 1.00 O ATOM 1124 CB GLU A 77 79.594 0.222 9.586 1.00 1.00 C ATOM 1125 CG GLU A 77 78.683 -0.564 10.531 1.00 1.00 C ATOM 1126 CD GLU A 77 77.342 -0.829 9.846 1.00 1.00 C ATOM 1127 OE1 GLU A 77 76.763 0.117 9.336 1.00 1.00 O ATOM 1128 OE2 GLU A 77 76.916 -1.972 9.842 1.00 1.00 O ATOM 0 H GLU A 77 78.514 -1.862 8.704 1.00 1.00 H new ATOM 0 HA GLU A 77 80.711 -0.204 7.792 1.00 1.00 H new ATOM 0 HB2 GLU A 77 80.311 0.809 10.160 1.00 1.00 H new ATOM 0 HB3 GLU A 77 79.004 0.925 8.998 1.00 1.00 H new ATOM 0 HG2 GLU A 77 79.155 -1.507 10.807 1.00 1.00 H new ATOM 0 HG3 GLU A 77 78.528 -0.004 11.453 1.00 1.00 H new ATOM 1135 N LEU A 78 82.713 -1.073 9.013 1.00 1.00 N ATOM 1136 CA LEU A 78 83.899 -1.655 9.703 1.00 1.00 C ATOM 1137 C LEU A 78 83.699 -3.164 9.879 1.00 1.00 C ATOM 1138 O LEU A 78 83.876 -3.703 10.954 1.00 1.00 O ATOM 1139 CB LEU A 78 84.063 -0.995 11.076 1.00 1.00 C ATOM 1140 CG LEU A 78 84.699 0.386 10.907 1.00 1.00 C ATOM 1141 CD1 LEU A 78 83.790 1.266 10.048 1.00 1.00 C ATOM 1142 CD2 LEU A 78 84.882 1.033 12.282 1.00 1.00 C ATOM 0 H LEU A 78 82.927 -0.441 8.242 1.00 1.00 H new ATOM 0 HA LEU A 78 84.793 -1.477 9.105 1.00 1.00 H new ATOM 0 HB2 LEU A 78 83.093 -0.903 11.565 1.00 1.00 H new ATOM 0 HB3 LEU A 78 84.686 -1.618 11.718 1.00 1.00 H new ATOM 0 HG LEU A 78 85.669 0.282 10.420 1.00 1.00 H new ATOM 0 HD11 LEU A 78 84.244 2.250 9.928 1.00 1.00 H new ATOM 0 HD12 LEU A 78 83.657 0.806 9.069 1.00 1.00 H new ATOM 0 HD13 LEU A 78 82.820 1.371 10.534 1.00 1.00 H new ATOM 0 HD21 LEU A 78 85.335 2.017 12.164 1.00 1.00 H new ATOM 0 HD22 LEU A 78 83.912 1.136 12.768 1.00 1.00 H new ATOM 0 HD23 LEU A 78 85.530 0.407 12.895 1.00 1.00 H new ATOM 1154 N HIS A 79 83.330 -3.850 8.831 1.00 1.00 N ATOM 1155 CA HIS A 79 83.118 -5.322 8.937 1.00 1.00 C ATOM 1156 C HIS A 79 84.461 -6.044 8.802 1.00 1.00 C ATOM 1157 O HIS A 79 85.276 -6.031 9.702 1.00 1.00 O ATOM 1158 CB HIS A 79 82.179 -5.779 7.818 1.00 1.00 C ATOM 1159 CG HIS A 79 82.037 -7.276 7.861 1.00 1.00 C ATOM 1160 ND1 HIS A 79 82.295 -8.194 8.851 1.00 1.00 N flip ATOM 1161 CD2 HIS A 79 81.573 -8.006 6.777 1.00 1.00 C flip ATOM 1162 CE1 HIS A 79 81.994 -9.471 8.386 1.00 1.00 C flip ATOM 1163 NE2 HIS A 79 81.565 -9.303 7.134 1.00 1.00 N flip ATOM 0 H HIS A 79 83.166 -3.454 7.905 1.00 1.00 H new ATOM 0 HA HIS A 79 82.676 -5.558 9.905 1.00 1.00 H new ATOM 0 HB2 HIS A 79 81.203 -5.307 7.933 1.00 1.00 H new ATOM 0 HB3 HIS A 79 82.572 -5.468 6.850 1.00 1.00 H new ATOM 0 HD2 HIS A 79 81.273 -7.606 5.820 1.00 1.00 H new ATOM 0 HE1 HIS A 79 82.088 -10.402 8.925 1.00 1.00 H new ATOM 0 HE2 HIS A 79 81.268 -10.064 6.523 1.00 1.00 H new ATOM 1172 N GLU A 80 84.696 -6.673 7.681 1.00 1.00 N ATOM 1173 CA GLU A 80 85.987 -7.397 7.479 1.00 1.00 C ATOM 1174 C GLU A 80 86.523 -7.085 6.081 1.00 1.00 C ATOM 1175 O GLU A 80 87.709 -6.911 5.884 1.00 1.00 O ATOM 1176 CB GLU A 80 85.754 -8.906 7.616 1.00 1.00 C ATOM 1177 CG GLU A 80 85.716 -9.284 9.098 1.00 1.00 C ATOM 1178 CD GLU A 80 87.137 -9.273 9.665 1.00 1.00 C ATOM 1179 OE1 GLU A 80 88.060 -9.071 8.893 1.00 1.00 O ATOM 1180 OE2 GLU A 80 87.278 -9.466 10.861 1.00 1.00 O ATOM 0 H GLU A 80 84.048 -6.717 6.894 1.00 1.00 H new ATOM 0 HA GLU A 80 86.710 -7.076 8.228 1.00 1.00 H new ATOM 0 HB2 GLU A 80 84.817 -9.185 7.134 1.00 1.00 H new ATOM 0 HB3 GLU A 80 86.548 -9.455 7.110 1.00 1.00 H new ATOM 0 HG2 GLU A 80 85.089 -8.582 9.647 1.00 1.00 H new ATOM 0 HG3 GLU A 80 85.272 -10.272 9.221 1.00 1.00 H new ATOM 1187 N LEU A 81 85.656 -7.009 5.107 1.00 1.00 N ATOM 1188 CA LEU A 81 86.111 -6.700 3.721 1.00 1.00 C ATOM 1189 C LEU A 81 85.986 -5.194 3.479 1.00 1.00 C ATOM 1190 O LEU A 81 86.522 -4.659 2.528 1.00 1.00 O ATOM 1191 CB LEU A 81 85.236 -7.458 2.716 1.00 1.00 C ATOM 1192 CG LEU A 81 85.675 -8.922 2.654 1.00 1.00 C ATOM 1193 CD1 LEU A 81 87.072 -9.011 2.037 1.00 1.00 C ATOM 1194 CD2 LEU A 81 85.705 -9.505 4.068 1.00 1.00 C ATOM 0 H LEU A 81 84.651 -7.148 5.212 1.00 1.00 H new ATOM 0 HA LEU A 81 87.150 -7.006 3.595 1.00 1.00 H new ATOM 0 HB2 LEU A 81 84.188 -7.394 3.010 1.00 1.00 H new ATOM 0 HB3 LEU A 81 85.318 -7.001 1.730 1.00 1.00 H new ATOM 0 HG LEU A 81 84.971 -9.486 2.042 1.00 1.00 H new ATOM 0 HD11 LEU A 81 87.385 -10.054 1.993 1.00 1.00 H new ATOM 0 HD12 LEU A 81 87.052 -8.595 1.030 1.00 1.00 H new ATOM 0 HD13 LEU A 81 87.776 -8.447 2.648 1.00 1.00 H new ATOM 0 HD21 LEU A 81 86.018 -10.548 4.025 1.00 1.00 H new ATOM 0 HD22 LEU A 81 86.409 -8.940 4.680 1.00 1.00 H new ATOM 0 HD23 LEU A 81 84.710 -9.442 4.509 1.00 1.00 H new ATOM 1206 N ALA A 82 85.282 -4.505 4.335 1.00 1.00 N ATOM 1207 CA ALA A 82 85.122 -3.033 4.161 1.00 1.00 C ATOM 1208 C ALA A 82 86.480 -2.351 4.321 1.00 1.00 C ATOM 1209 O ALA A 82 87.428 -2.685 3.643 1.00 1.00 O ATOM 1210 CB ALA A 82 84.157 -2.496 5.217 1.00 1.00 C ATOM 0 H ALA A 82 84.810 -4.899 5.149 1.00 1.00 H new ATOM 0 HA ALA A 82 84.725 -2.827 3.167 1.00 1.00 H new ATOM 0 HB1 ALA A 82 84.040 -1.420 5.090 1.00 1.00 H new ATOM 0 HB2 ALA A 82 83.188 -2.982 5.105 1.00 1.00 H new ATOM 0 HB3 ALA A 82 84.554 -2.703 6.211 1.00 1.00 H new ATOM 1216 N GLN A 83 86.578 -1.394 5.211 1.00 1.00 N ATOM 1217 CA GLN A 83 87.876 -0.681 5.417 1.00 1.00 C ATOM 1218 C GLN A 83 88.267 0.035 4.122 1.00 1.00 C ATOM 1219 O GLN A 83 88.316 1.247 4.056 1.00 1.00 O ATOM 1220 CB GLN A 83 88.974 -1.684 5.795 1.00 1.00 C ATOM 1221 CG GLN A 83 88.517 -2.525 6.989 1.00 1.00 C ATOM 1222 CD GLN A 83 89.184 -3.900 6.931 1.00 1.00 C ATOM 1223 OE1 GLN A 83 88.622 -4.839 6.404 1.00 1.00 O ATOM 1224 NE2 GLN A 83 90.369 -4.059 7.454 1.00 1.00 N ATOM 0 H GLN A 83 85.812 -1.075 5.805 1.00 1.00 H new ATOM 0 HA GLN A 83 87.763 0.044 6.223 1.00 1.00 H new ATOM 0 HB2 GLN A 83 89.197 -2.331 4.946 1.00 1.00 H new ATOM 0 HB3 GLN A 83 89.894 -1.154 6.042 1.00 1.00 H new ATOM 0 HG2 GLN A 83 88.776 -2.023 7.921 1.00 1.00 H new ATOM 0 HG3 GLN A 83 87.433 -2.634 6.976 1.00 1.00 H new ATOM 0 HE21 GLN A 83 90.841 -3.271 7.897 1.00 1.00 H new ATOM 0 HE22 GLN A 83 90.823 -4.972 7.420 1.00 1.00 H new ATOM 1233 N TYR A 84 88.535 -0.714 3.090 1.00 1.00 N ATOM 1234 CA TYR A 84 88.913 -0.106 1.787 1.00 1.00 C ATOM 1235 C TYR A 84 88.612 -1.114 0.678 1.00 1.00 C ATOM 1236 O TYR A 84 89.041 -0.963 -0.449 1.00 1.00 O ATOM 1237 CB TYR A 84 90.408 0.239 1.788 1.00 1.00 C ATOM 1238 CG TYR A 84 90.622 1.558 2.491 1.00 1.00 C ATOM 1239 CD1 TYR A 84 90.147 2.743 1.917 1.00 1.00 C ATOM 1240 CD2 TYR A 84 91.296 1.596 3.718 1.00 1.00 C ATOM 1241 CE1 TYR A 84 90.346 3.966 2.569 1.00 1.00 C ATOM 1242 CE2 TYR A 84 91.495 2.818 4.370 1.00 1.00 C ATOM 1243 CZ TYR A 84 91.019 4.003 3.796 1.00 1.00 C ATOM 1244 OH TYR A 84 91.215 5.209 4.439 1.00 1.00 O ATOM 0 H TYR A 84 88.508 -1.734 3.095 1.00 1.00 H new ATOM 0 HA TYR A 84 88.345 0.810 1.622 1.00 1.00 H new ATOM 0 HB2 TYR A 84 90.973 -0.547 2.289 1.00 1.00 H new ATOM 0 HB3 TYR A 84 90.779 0.296 0.765 1.00 1.00 H new ATOM 0 HD1 TYR A 84 89.627 2.714 0.971 1.00 1.00 H new ATOM 0 HD2 TYR A 84 91.662 0.682 4.161 1.00 1.00 H new ATOM 0 HE1 TYR A 84 89.980 4.880 2.126 1.00 1.00 H new ATOM 0 HE2 TYR A 84 92.016 2.847 5.316 1.00 1.00 H new ATOM 0 HH TYR A 84 91.698 5.058 5.278 1.00 1.00 H new ATOM 1254 N GLY A 85 87.865 -2.143 0.991 1.00 1.00 N ATOM 1255 CA GLY A 85 87.521 -3.163 -0.042 1.00 1.00 C ATOM 1256 C GLY A 85 86.229 -2.738 -0.732 1.00 1.00 C ATOM 1257 O GLY A 85 85.159 -3.195 -0.391 1.00 1.00 O ATOM 0 H GLY A 85 87.479 -2.319 1.919 1.00 1.00 H new ATOM 0 HA2 GLY A 85 88.327 -3.252 -0.770 1.00 1.00 H new ATOM 0 HA3 GLY A 85 87.399 -4.143 0.419 1.00 1.00 H new ATOM 1261 N ILE A 86 86.333 -1.852 -1.686 1.00 1.00 N ATOM 1262 CA ILE A 86 85.130 -1.350 -2.413 1.00 1.00 C ATOM 1263 C ILE A 86 84.038 -0.952 -1.413 1.00 1.00 C ATOM 1264 O ILE A 86 83.897 -1.532 -0.356 1.00 1.00 O ATOM 1265 CB ILE A 86 84.606 -2.414 -3.398 1.00 1.00 C ATOM 1266 CG1 ILE A 86 83.543 -1.788 -4.304 1.00 1.00 C ATOM 1267 CG2 ILE A 86 83.988 -3.575 -2.616 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.252 -2.729 -5.475 1.00 1.00 C ATOM 0 H ILE A 86 87.216 -1.448 -1.998 1.00 1.00 H new ATOM 0 HA ILE A 86 85.413 -0.468 -2.988 1.00 1.00 H new ATOM 0 HB ILE A 86 85.432 -2.785 -4.005 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.631 -1.602 -3.737 1.00 1.00 H new ATOM 0 HG13 ILE A 86 83.889 -0.824 -4.676 1.00 1.00 H new ATOM 0 HG21 ILE A 86 83.618 -4.327 -3.313 1.00 1.00 H new ATOM 0 HG22 ILE A 86 84.743 -4.021 -1.969 1.00 1.00 H new ATOM 0 HG23 ILE A 86 83.162 -3.206 -2.008 1.00 1.00 H new ATOM 0 HD11 ILE A 86 82.495 -2.283 -6.120 1.00 1.00 H new ATOM 0 HD12 ILE A 86 84.166 -2.892 -6.046 1.00 1.00 H new ATOM 0 HD13 ILE A 86 82.888 -3.683 -5.093 1.00 1.00 H new ATOM 1280 N CYS A 87 83.269 0.049 -1.738 1.00 1.00 N ATOM 1281 CA CYS A 87 82.193 0.496 -0.806 1.00 1.00 C ATOM 1282 C CYS A 87 81.307 -0.696 -0.441 1.00 1.00 C ATOM 1283 CB CYS A 87 81.341 1.576 -1.482 1.00 1.00 C ATOM 1284 SG CYS A 87 80.724 0.955 -3.066 1.00 1.00 S ATOM 0 H CYS A 87 83.338 0.578 -2.608 1.00 1.00 H new ATOM 0 HA CYS A 87 82.645 0.905 0.097 1.00 1.00 H new ATOM 0 HB2 CYS A 87 80.506 1.852 -0.838 1.00 1.00 H new ATOM 0 HB3 CYS A 87 81.934 2.477 -1.639 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 75.487 1.570 16.395 1.00 1.00 C HETATM 1291 O1G RCY A 110 77.576 0.560 21.331 1.00 1.00 O HETATM 1292 O1H RCY A 110 73.769 1.730 18.794 1.00 1.00 O HETATM 1293 O1J RCY A 110 76.572 -0.706 14.749 1.00 1.00 O HETATM 1294 C1L RCY A 110 75.467 1.669 21.889 1.00 1.00 C HETATM 1295 C1M RCY A 110 77.054 -1.005 18.541 1.00 1.00 C HETATM 1296 C1P RCY A 110 76.493 1.011 20.959 1.00 1.00 C HETATM 1297 C1Q RCY A 110 74.695 1.756 19.603 1.00 1.00 C HETATM 1298 N1R RCY A 110 76.005 0.984 19.511 1.00 1.00 N HETATM 1299 C1S RCY A 110 74.741 2.570 20.884 1.00 1.00 C HETATM 1300 C1U RCY A 110 76.654 0.348 18.281 1.00 1.00 C HETATM 1301 C1V RCY A 110 74.365 -0.411 17.509 1.00 1.00 C HETATM 1302 N1V RCY A 110 76.481 -0.721 16.206 1.00 1.00 N HETATM 1303 C1W RCY A 110 77.155 -1.691 17.173 1.00 1.00 C HETATM 1304 C1X RCY A 110 75.693 0.228 17.099 1.00 1.00 C HETATM 1305 C1Y RCY A 110 76.416 -3.032 17.188 1.00 1.00 C HETATM 1306 C1Z RCY A 110 78.613 -1.884 16.755 1.00 1.00 C HETATM 0 H1ZB RCY A 110 79.105 -0.913 16.693 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 79.124 -2.504 17.492 1.00 1.00 H new HETATM 0 H1YB RCY A 110 76.858 -3.682 17.943 1.00 1.00 H new HETATM 0 H1YA RCY A 110 75.365 -2.865 17.423 1.00 1.00 H new HETATM 0 H1VB RCY A 110 73.836 0.254 18.191 1.00 1.00 H new HETATM 0 H1VA RCY A 110 73.754 -0.581 16.622 1.00 1.00 H new HETATM 0 H1MA RCY A 110 78.010 -1.035 19.063 1.00 1.00 H new HETATM 0 H1LA RCY A 110 74.801 0.943 22.356 1.00 1.00 H new HETATM 0 H1Z RCY A 110 78.651 -2.373 15.781 1.00 1.00 H new HETATM 0 H1Y RCY A 110 76.499 -3.504 16.209 1.00 1.00 H new HETATM 0 H1V RCY A 110 74.557 -1.362 18.006 1.00 1.00 H new HETATM 0 H1S RCY A 110 75.273 3.510 20.738 1.00 1.00 H new HETATM 0 H1M RCY A 110 76.328 -1.510 19.177 1.00 1.00 H new HETATM 0 H1L RCY A 110 75.936 2.235 22.694 1.00 1.00 H new HETATM 0 H1C RCY A 110 74.797 1.441 15.561 1.00 1.00 H new HETATM 1309 C1C RCY A 121 63.775 6.935 6.336 1.00 1.00 C HETATM 1310 O1G RCY A 121 64.733 9.094 8.868 1.00 1.00 O HETATM 1311 O1H RCY A 121 65.082 11.785 5.003 1.00 1.00 O HETATM 1312 O1J RCY A 121 61.499 6.581 4.395 1.00 1.00 O HETATM 1313 C1L RCY A 121 66.289 10.856 8.189 1.00 1.00 C HETATM 1314 C1M RCY A 121 62.562 10.200 5.086 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.105 9.897 8.014 1.00 1.00 C HETATM 1316 C1Q RCY A 121 65.358 11.079 5.973 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.445 10.062 6.646 1.00 1.00 N HETATM 1318 C1S RCY A 121 66.678 11.063 6.721 1.00 1.00 C HETATM 1319 C1U RCY A 121 63.192 9.386 6.086 1.00 1.00 C HETATM 1320 C1V RCY A 121 64.630 8.246 4.342 1.00 1.00 C HETATM 1321 N1V RCY A 121 62.175 7.852 4.641 1.00 1.00 N HETATM 1322 C1W RCY A 121 61.712 9.250 4.235 1.00 1.00 C HETATM 1323 C1X RCY A 121 63.498 8.079 5.358 1.00 1.00 C HETATM 1324 C1Y RCY A 121 61.968 9.487 2.744 1.00 1.00 C HETATM 1325 C1Z RCY A 121 60.224 9.397 4.556 1.00 1.00 C HETATM 0 H1ZB RCY A 121 60.054 9.166 5.608 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 59.907 10.420 4.354 1.00 1.00 H new HETATM 0 H1YB RCY A 121 61.710 10.515 2.489 1.00 1.00 H new HETATM 0 H1YA RCY A 121 63.021 9.312 2.523 1.00 1.00 H new HETATM 0 H1VB RCY A 121 65.561 8.463 4.866 1.00 1.00 H new HETATM 0 H1VA RCY A 121 64.743 7.326 3.768 1.00 1.00 H new HETATM 0 H1MA RCY A 121 61.943 10.971 5.545 1.00 1.00 H new HETATM 0 H1LA RCY A 121 66.004 11.786 8.680 1.00 1.00 H new HETATM 0 H1CB RCY A 121 64.633 7.188 6.959 1.00 1.00 H new HETATM 0 H1CA RCY A 121 62.901 6.778 6.969 1.00 1.00 H new HETATM 0 H1Z RCY A 121 59.648 8.710 3.936 1.00 1.00 H new HETATM 0 H1Y RCY A 121 61.355 8.803 2.156 1.00 1.00 H new HETATM 0 H1V RCY A 121 64.394 9.068 3.666 1.00 1.00 H new HETATM 0 H1U RCY A 121 62.563 9.220 6.961 1.00 1.00 H new HETATM 0 H1S RCY A 121 67.325 10.261 6.366 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.306 10.711 4.474 1.00 1.00 H new HETATM 0 H1L RCY A 121 67.096 10.420 8.777 1.00 1.00 H new HETATM 0 H1C RCY A 121 63.988 6.023 5.778 1.00 1.00 H new HETATM 1328 C1C RCY A 130 80.767 10.481 -13.164 1.00 1.00 C HETATM 1329 O1G RCY A 130 78.167 8.853 -12.941 1.00 1.00 O HETATM 1330 O1H RCY A 130 77.495 11.664 -9.206 1.00 1.00 O HETATM 1331 O1J RCY A 130 83.436 9.770 -11.964 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.164 9.751 -11.860 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.435 9.617 -9.581 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.670 9.514 -12.030 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.378 10.760 -10.032 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.476 10.201 -10.929 1.00 1.00 N HETATM 1337 C1S RCY A 130 76.107 9.993 -10.347 1.00 1.00 C HETATM 1338 C1U RCY A 130 79.993 10.306 -10.760 1.00 1.00 C HETATM 1339 C1V RCY A 130 80.257 8.211 -12.157 1.00 1.00 C HETATM 1340 N1V RCY A 130 82.158 9.586 -11.283 1.00 1.00 N HETATM 1341 C1W RCY A 130 81.922 9.308 -9.799 1.00 1.00 C HETATM 1342 C1X RCY A 130 80.764 9.630 -11.892 1.00 1.00 C HETATM 1343 C1Y RCY A 130 82.220 7.842 -9.475 1.00 1.00 C HETATM 1344 C1Z RCY A 130 82.810 10.235 -8.969 1.00 1.00 C HETATM 0 H1ZB RCY A 130 82.626 11.270 -9.257 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 82.581 10.107 -7.911 1.00 1.00 H new HETATM 0 H1YB RCY A 130 81.966 7.641 -8.434 1.00 1.00 H new HETATM 0 H1MA RCY A 130 80.291 10.233 -8.693 1.00 1.00 H new HETATM 0 H1CB RCY A 130 79.742 10.642 -13.497 1.00 1.00 H new HETATM 0 H1CA RCY A 130 81.236 11.443 -12.957 1.00 1.00 H new HETATM 0 H1Z RCY A 130 83.857 9.990 -9.146 1.00 1.00 H new HETATM 0 H1U RCY A 130 80.186 11.378 -10.727 1.00 1.00 H new HETATM 0 H1S RCY A 130 76.065 9.053 -9.797 1.00 1.00 H new HETATM 0 H1M RCY A 130 79.865 8.700 -9.429 1.00 1.00 H new HETATM 0 H1L RCY A 130 75.569 8.892 -12.168 1.00 1.00 H new HETATM 0 H1C RCY A 130 81.325 9.965 -13.945 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.257 0.337 -7.272 1.00 1.00 C HETATM 1348 O1G RCY A 138 83.044 1.705 -10.120 1.00 1.00 O HETATM 1349 O1H RCY A 138 79.824 -1.561 -8.996 1.00 1.00 O HETATM 1350 O1J RCY A 138 79.875 -2.509 -6.504 1.00 1.00 O HETATM 1351 C1L RCY A 138 81.679 0.172 -11.451 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.899 -0.179 -6.868 1.00 1.00 C HETATM 1353 C1P RCY A 138 82.218 0.795 -10.157 1.00 1.00 C HETATM 1354 C1Q RCY A 138 80.760 -0.970 -9.531 1.00 1.00 C HETATM 1355 N1R RCY A 138 81.602 0.143 -8.920 1.00 1.00 N HETATM 1356 C1S RCY A 138 81.291 -1.217 -10.931 1.00 1.00 C HETATM 1357 C1U RCY A 138 81.778 0.506 -7.444 1.00 1.00 C HETATM 1358 C1V RCY A 138 80.650 0.690 -5.184 1.00 1.00 C HETATM 1359 N1V RCY A 138 80.858 -1.429 -6.502 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.378 -1.550 -6.421 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.595 0.068 -6.581 1.00 1.00 C HETATM 1362 C1Y RCY A 138 82.816 -1.850 -4.984 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.844 -2.657 -7.368 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.473 -2.456 -8.373 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.933 -2.688 -7.383 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.516 1.769 -5.261 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.856 0.269 -4.567 1.00 1.00 H new HETATM 0 H1MA RCY A 138 83.705 -0.286 -7.594 1.00 1.00 H new HETATM 0 H1LA RCY A 138 80.827 0.720 -11.855 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.158 1.404 -7.471 1.00 1.00 H new HETATM 0 H1CA RCY A 138 79.216 -0.213 -8.212 1.00 1.00 H new HETATM 0 H1Z RCY A 138 82.458 -3.617 -7.024 1.00 1.00 H new HETATM 0 H1V RCY A 138 81.617 0.476 -4.728 1.00 1.00 H new HETATM 0 H1U RCY A 138 81.894 1.590 -7.446 1.00 1.00 H new HETATM 0 H1S RCY A 138 82.150 -1.888 -10.916 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.304 0.378 -6.023 1.00 1.00 H new HETATM 0 H1L RCY A 138 82.432 0.128 -12.238 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.442 0.012 -6.626 1.00 1.00 H new HETATM 1366 C1C RCY A 150 68.297 -4.637 -5.030 1.00 1.00 C HETATM 1367 O1G RCY A 150 70.372 -2.133 -9.159 1.00 1.00 O HETATM 1368 O1H RCY A 150 67.050 -4.529 -6.809 1.00 1.00 O HETATM 1369 O1J RCY A 150 70.696 -6.378 -5.561 1.00 1.00 O HETATM 1370 C1L RCY A 150 68.403 -3.400 -9.869 1.00 1.00 C HETATM 1371 C1M RCY A 150 71.146 -2.641 -6.290 1.00 1.00 C HETATM 1372 C1P RCY A 150 69.410 -2.838 -8.858 1.00 1.00 C HETATM 1373 C1Q RCY A 150 67.884 -4.194 -7.648 1.00 1.00 C HETATM 1374 N1R RCY A 150 69.070 -3.262 -7.430 1.00 1.00 N HETATM 1375 C1S RCY A 150 67.921 -4.635 -9.100 1.00 1.00 C HETATM 1376 C1U RCY A 150 69.739 -2.861 -6.114 1.00 1.00 C HETATM 1377 C1V RCY A 150 70.073 -3.442 -3.672 1.00 1.00 C HETATM 1378 N1V RCY A 150 70.722 -4.919 -5.588 1.00 1.00 N HETATM 1379 C1W RCY A 150 71.814 -4.015 -6.158 1.00 1.00 C HETATM 1380 C1X RCY A 150 69.668 -3.959 -5.054 1.00 1.00 C HETATM 1381 C1Y RCY A 150 73.005 -3.945 -5.199 1.00 1.00 C HETATM 1382 C1Z RCY A 150 72.250 -4.555 -7.520 1.00 1.00 C HETATM 0 H1ZB RCY A 150 71.379 -4.654 -8.168 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 72.963 -3.866 -7.973 1.00 1.00 H new HETATM 0 H1YB RCY A 150 73.737 -3.232 -5.579 1.00 1.00 H new HETATM 0 H1YA RCY A 150 72.662 -3.624 -4.216 1.00 1.00 H new HETATM 0 H1VB RCY A 150 69.339 -2.714 -3.326 1.00 1.00 H new HETATM 0 H1VA RCY A 150 70.117 -4.275 -2.970 1.00 1.00 H new HETATM 0 H1MA RCY A 150 71.352 -2.200 -7.265 1.00 1.00 H new HETATM 0 H1LA RCY A 150 67.595 -2.701 -10.085 1.00 1.00 H new HETATM 0 H1CB RCY A 150 67.529 -3.896 -4.807 1.00 1.00 H new HETATM 0 H1CA RCY A 150 68.096 -5.087 -6.002 1.00 1.00 H new HETATM 0 H1Z RCY A 150 72.720 -5.530 -7.391 1.00 1.00 H new HETATM 0 H1Y RCY A 150 73.466 -4.930 -5.119 1.00 1.00 H new HETATM 0 H1V RCY A 150 71.052 -2.968 -3.734 1.00 1.00 H new HETATM 0 H1U RCY A 150 69.202 -1.966 -5.801 1.00 1.00 H new HETATM 0 H1S RCY A 150 68.597 -5.478 -9.241 1.00 1.00 H new HETATM 0 H1M RCY A 150 71.528 -1.949 -5.540 1.00 1.00 H new HETATM 0 H1L RCY A 150 68.867 -3.656 -10.822 1.00 1.00 H new HETATM 0 H1C RCY A 150 68.287 -5.411 -4.263 1.00 1.00 H new HETATM 1385 C1C RCY A 160 67.765 0.778 -4.143 1.00 1.00 C HETATM 1386 O1G RCY A 160 66.879 5.617 -6.018 1.00 1.00 O HETATM 1387 O1H RCY A 160 66.640 0.903 -5.858 1.00 1.00 O HETATM 1388 O1J RCY A 160 70.273 0.697 -5.808 1.00 1.00 O HETATM 1389 C1L RCY A 160 65.704 3.953 -7.374 1.00 1.00 C HETATM 1390 C1M RCY A 160 69.279 4.141 -4.443 1.00 1.00 C HETATM 1391 C1P RCY A 160 66.642 4.434 -6.259 1.00 1.00 C HETATM 1392 C1Q RCY A 160 66.716 2.063 -6.262 1.00 1.00 C HETATM 1393 N1R RCY A 160 67.245 3.263 -5.487 1.00 1.00 N HETATM 1394 C1S RCY A 160 66.296 2.563 -7.632 1.00 1.00 C HETATM 1395 C1U RCY A 160 68.149 3.278 -4.252 1.00 1.00 C HETATM 1396 C1V RCY A 160 69.424 1.877 -2.573 1.00 1.00 C HETATM 1397 N1V RCY A 160 69.836 1.862 -5.043 1.00 1.00 N HETATM 1398 C1W RCY A 160 70.344 3.298 -5.155 1.00 1.00 C HETATM 1399 C1X RCY A 160 68.771 1.915 -3.956 1.00 1.00 C HETATM 1400 C1Y RCY A 160 71.700 3.442 -4.458 1.00 1.00 C HETATM 1401 C1Z RCY A 160 70.456 3.675 -6.632 1.00 1.00 C HETATM 0 H1ZB RCY A 160 69.497 3.509 -7.124 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 70.731 4.726 -6.719 1.00 1.00 H new HETATM 0 H1YB RCY A 160 72.008 4.487 -4.474 1.00 1.00 H new HETATM 0 H1YA RCY A 160 71.616 3.105 -3.425 1.00 1.00 H new HETATM 0 H1VB RCY A 160 68.656 1.971 -1.805 1.00 1.00 H new HETATM 0 H1VA RCY A 160 69.951 0.931 -2.445 1.00 1.00 H new HETATM 0 H1MA RCY A 160 69.008 5.011 -5.040 1.00 1.00 H new HETATM 0 H1LA RCY A 160 64.663 3.911 -7.054 1.00 1.00 H new HETATM 0 H1CB RCY A 160 66.922 0.923 -3.467 1.00 1.00 H new HETATM 0 H1CA RCY A 160 67.408 0.774 -5.173 1.00 1.00 H new HETATM 0 H1Z RCY A 160 71.219 3.059 -7.108 1.00 1.00 H new HETATM 0 H1Y RCY A 160 72.442 2.836 -4.978 1.00 1.00 H new HETATM 0 H1V RCY A 160 70.131 2.701 -2.482 1.00 1.00 H new HETATM 0 H1U RCY A 160 67.494 3.604 -3.444 1.00 1.00 H new HETATM 0 H1S RCY A 160 67.146 2.615 -8.312 1.00 1.00 H new HETATM 0 H1M RCY A 160 69.651 4.513 -3.488 1.00 1.00 H new HETATM 0 H1L RCY A 160 65.741 4.593 -8.256 1.00 1.00 H new HETATM 0 H1C RCY A 160 68.247 -0.174 -3.923 1.00 1.00 H new HETATM 1404 C1C RCY A 168 71.141 -0.353 3.181 1.00 1.00 C HETATM 1405 O1G RCY A 168 67.921 1.094 0.351 1.00 1.00 O HETATM 1406 O1H RCY A 168 69.336 -3.339 1.151 1.00 1.00 O HETATM 1407 O1J RCY A 168 73.471 1.357 2.334 1.00 1.00 O HETATM 1408 C1L RCY A 168 66.724 -1.022 0.626 1.00 1.00 C HETATM 1409 C1M RCY A 168 71.006 0.393 -0.441 1.00 1.00 C HETATM 1410 C1P RCY A 168 67.962 -0.124 0.518 1.00 1.00 C HETATM 1411 C1Q RCY A 168 68.733 -2.359 0.718 1.00 1.00 C HETATM 1412 N1R RCY A 168 69.254 -0.929 0.645 1.00 1.00 N HETATM 1413 C1S RCY A 168 67.323 -2.352 0.155 1.00 1.00 C HETATM 1414 C1U RCY A 168 70.703 -0.438 0.689 1.00 1.00 C HETATM 1415 C1V RCY A 168 69.944 1.567 2.037 1.00 1.00 C HETATM 1416 N1V RCY A 168 72.329 1.048 1.478 1.00 1.00 N HETATM 1417 C1W RCY A 168 72.214 1.246 -0.032 1.00 1.00 C HETATM 1418 C1X RCY A 168 70.989 0.458 1.893 1.00 1.00 C HETATM 1419 C1Y RCY A 168 71.967 2.721 -0.362 1.00 1.00 C HETATM 1420 C1Z RCY A 168 73.496 0.751 -0.701 1.00 1.00 C HETATM 0 H1ZB RCY A 168 73.685 -0.281 -0.406 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 73.385 0.804 -1.784 1.00 1.00 H new HETATM 0 H1YB RCY A 168 71.803 2.832 -1.434 1.00 1.00 H new HETATM 0 H1YA RCY A 168 71.087 3.072 0.178 1.00 1.00 H new HETATM 0 H1VB RCY A 168 68.977 1.126 2.279 1.00 1.00 H new HETATM 0 H1VA RCY A 168 70.243 2.247 2.835 1.00 1.00 H new HETATM 0 H1MA RCY A 168 71.235 -0.211 -1.319 1.00 1.00 H new HETATM 0 H1LA RCY A 168 66.335 -1.076 1.643 1.00 1.00 H new HETATM 0 H1CB RCY A 168 70.220 -0.903 3.375 1.00 1.00 H new HETATM 0 H1CA RCY A 168 71.968 -1.055 3.073 1.00 1.00 H new HETATM 0 H1Z RCY A 168 74.333 1.376 -0.391 1.00 1.00 H new HETATM 0 H1Y RCY A 168 72.834 3.311 -0.065 1.00 1.00 H new HETATM 0 H1V RCY A 168 69.867 2.119 1.100 1.00 1.00 H new HETATM 0 H1U RCY A 168 71.296 -1.352 0.719 1.00 1.00 H new HETATM 0 H1S RCY A 168 67.330 -2.420 -0.933 1.00 1.00 H new HETATM 0 H1M RCY A 168 70.155 1.022 -0.701 1.00 1.00 H new HETATM 0 H1L RCY A 168 65.906 -0.684 -0.010 1.00 1.00 H new HETATM 0 H1C RCY A 168 71.344 0.321 4.013 1.00 1.00 H new HETATM 1423 C1C RCY A 173 74.586 -3.511 1.357 1.00 1.00 C HETATM 1424 O1G RCY A 173 72.229 -7.150 -0.807 1.00 1.00 O HETATM 1425 O1H RCY A 173 75.601 -5.920 2.263 1.00 1.00 O HETATM 1426 O1J RCY A 173 77.488 -4.305 1.497 1.00 1.00 O HETATM 1427 C1L RCY A 173 72.883 -8.000 1.393 1.00 1.00 C HETATM 1428 C1M RCY A 173 75.583 -5.467 -1.622 1.00 1.00 C HETATM 1429 C1P RCY A 173 72.994 -7.100 0.155 1.00 1.00 C HETATM 1430 C1Q RCY A 173 74.826 -6.577 1.569 1.00 1.00 C HETATM 1431 N1R RCY A 173 74.174 -6.135 0.266 1.00 1.00 N HETATM 1432 C1S RCY A 173 74.344 -7.987 1.858 1.00 1.00 C HETATM 1433 C1U RCY A 173 74.599 -5.012 -0.682 1.00 1.00 C HETATM 1434 C1V RCY A 173 75.438 -2.629 -0.862 1.00 1.00 C HETATM 1435 N1V RCY A 173 76.648 -4.479 0.315 1.00 1.00 N HETATM 1436 C1W RCY A 173 76.940 -5.327 -0.921 1.00 1.00 C HETATM 1437 C1X RCY A 173 75.287 -3.855 0.041 1.00 1.00 C HETATM 1438 C1Y RCY A 173 77.946 -4.617 -1.832 1.00 1.00 C HETATM 1439 C1Z RCY A 173 77.480 -6.687 -0.480 1.00 1.00 C HETATM 0 H1ZB RCY A 173 76.778 -7.150 0.213 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 77.605 -7.329 -1.352 1.00 1.00 H new HETATM 0 H1YB RCY A 173 78.079 -5.194 -2.747 1.00 1.00 H new HETATM 0 H1YA RCY A 173 77.573 -3.623 -2.081 1.00 1.00 H new HETATM 0 H1VB RCY A 173 74.453 -2.226 -1.096 1.00 1.00 H new HETATM 0 H1VA RCY A 173 76.029 -1.870 -0.349 1.00 1.00 H new HETATM 0 H1MA RCY A 173 75.398 -6.502 -1.909 1.00 1.00 H new HETATM 0 H1LA RCY A 173 72.203 -7.596 2.143 1.00 1.00 H new HETATM 0 H1CB RCY A 173 73.554 -3.223 1.155 1.00 1.00 H new HETATM 0 H1CA RCY A 173 74.598 -4.381 2.014 1.00 1.00 H new HETATM 0 H1Z RCY A 173 78.443 -6.554 0.013 1.00 1.00 H new HETATM 0 H1Y RCY A 173 78.903 -4.527 -1.317 1.00 1.00 H new HETATM 0 H1V RCY A 173 75.940 -2.917 -1.785 1.00 1.00 H new HETATM 0 H1U RCY A 173 73.670 -4.694 -1.156 1.00 1.00 H new HETATM 0 H1S RCY A 173 74.938 -8.727 1.321 1.00 1.00 H new HETATM 0 H1M RCY A 173 75.553 -4.873 -2.535 1.00 1.00 H new HETATM 0 H1L RCY A 173 72.531 -9.003 1.150 1.00 1.00 H new HETATM 0 H1C RCY A 173 75.105 -2.684 1.841 1.00 1.00 H new HETATM 1442 C1C RCY A 176 81.039 -1.336 2.130 1.00 1.00 C HETATM 1443 O1G RCY A 176 79.709 -6.441 2.053 1.00 1.00 O HETATM 1444 O1H RCY A 176 79.233 -1.844 3.025 1.00 1.00 O HETATM 1445 O1J RCY A 176 82.971 -2.201 4.272 1.00 1.00 O HETATM 1446 C1L RCY A 176 78.097 -5.169 3.384 1.00 1.00 C HETATM 1447 C1M RCY A 176 82.276 -4.768 1.509 1.00 1.00 C HETATM 1448 C1P RCY A 176 79.341 -5.358 2.506 1.00 1.00 C HETATM 1449 C1Q RCY A 176 79.263 -3.070 3.127 1.00 1.00 C HETATM 1450 N1R RCY A 176 80.065 -4.035 2.263 1.00 1.00 N HETATM 1451 C1S RCY A 176 78.504 -3.902 4.145 1.00 1.00 C HETATM 1452 C1U RCY A 176 81.280 -3.743 1.381 1.00 1.00 C HETATM 1453 C1V RCY A 176 83.033 -2.035 0.730 1.00 1.00 C HETATM 1454 N1V RCY A 176 82.726 -2.948 3.042 1.00 1.00 N HETATM 1455 C1W RCY A 176 83.126 -4.388 2.728 1.00 1.00 C HETATM 1456 C1X RCY A 176 82.013 -2.465 1.786 1.00 1.00 C HETATM 1457 C1Y RCY A 176 84.618 -4.467 2.390 1.00 1.00 C HETATM 1458 C1Z RCY A 176 82.799 -5.272 3.931 1.00 1.00 C HETATM 0 H1ZB RCY A 176 81.747 -5.156 4.193 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 82.998 -6.314 3.681 1.00 1.00 H new HETATM 0 H1YB RCY A 176 84.869 -5.484 2.087 1.00 1.00 H new HETATM 0 H1YA RCY A 176 84.843 -3.780 1.575 1.00 1.00 H new HETATM 0 H1VA RCY A 176 83.609 -1.189 1.104 1.00 1.00 H new HETATM 0 H1MA RCY A 176 81.813 -5.745 1.646 1.00 1.00 H new HETATM 0 H1LA RCY A 176 77.189 -5.030 2.797 1.00 1.00 H new HETATM 0 H1CB RCY A 176 80.418 -1.114 1.262 1.00 1.00 H new HETATM 0 H1CA RCY A 176 80.404 -1.644 2.961 1.00 1.00 H new HETATM 0 H1Z RCY A 176 83.418 -4.977 4.778 1.00 1.00 H new HETATM 0 H1Y RCY A 176 85.205 -4.194 3.267 1.00 1.00 H new HETATM 0 H1V RCY A 176 83.706 -2.865 0.514 1.00 1.00 H new HETATM 0 H1U RCY A 176 80.870 -3.669 0.374 1.00 1.00 H new HETATM 0 H1S RCY A 176 79.128 -4.140 5.006 1.00 1.00 H new HETATM 0 H1M RCY A 176 82.890 -4.829 0.610 1.00 1.00 H new HETATM 0 H1L RCY A 176 77.921 -6.016 4.047 1.00 1.00 H new HETATM 0 H1C RCY A 176 81.600 -0.445 2.413 1.00 1.00 H new HETATM 1461 C1C RCY A 187 77.174 1.464 1.458 1.00 1.00 C HETATM 1462 O1G RCY A 187 77.667 -2.944 -1.706 1.00 1.00 O HETATM 1463 O1H RCY A 187 79.536 1.164 -0.317 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.436 0.283 4.128 1.00 1.00 O HETATM 1465 C1L RCY A 187 79.290 -1.417 -2.715 1.00 1.00 C HETATM 1466 C1M RCY A 187 77.615 -2.210 1.464 1.00 1.00 C HETATM 1467 C1P RCY A 187 78.290 -1.885 -1.650 1.00 1.00 C HETATM 1468 C1Q RCY A 187 79.045 0.269 -1.003 1.00 1.00 C HETATM 1469 N1R RCY A 187 78.164 -0.873 -0.513 1.00 1.00 N HETATM 1470 C1S RCY A 187 79.208 0.099 -2.503 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.363 -0.970 0.787 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.275 0.156 2.007 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.086 -0.463 3.055 1.00 1.00 N HETATM 1474 C1W RCY A 187 77.244 -1.978 2.934 1.00 1.00 C HETATM 1475 C1X RCY A 187 77.759 0.094 1.808 1.00 1.00 C HETATM 1476 C1Y RCY A 187 78.360 -2.476 3.856 1.00 1.00 C HETATM 1477 C1Z RCY A 187 75.916 -2.649 3.284 1.00 1.00 C HETATM 0 H1ZB RCY A 187 75.124 -2.238 2.658 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 75.994 -3.722 3.112 1.00 1.00 H new HETATM 0 H1VB RCY A 187 79.748 0.505 1.089 1.00 1.00 H new HETATM 0 H1VA RCY A 187 79.507 0.844 2.820 1.00 1.00 H new HETATM 0 H1MA RCY A 187 77.020 -3.016 1.035 1.00 1.00 H new HETATM 0 H1LA RCY A 187 80.293 -1.808 -2.546 1.00 1.00 H new HETATM 0 H1CB RCY A 187 77.539 1.776 0.480 1.00 1.00 H new HETATM 0 H1CA RCY A 187 76.086 1.400 1.436 1.00 1.00 H new HETATM 0 H1V RCY A 187 79.650 -0.837 2.254 1.00 1.00 H new HETATM 0 H1U RCY A 187 76.326 -0.858 0.472 1.00 1.00 H new HETATM 0 H1S RCY A 187 78.366 0.530 -3.044 1.00 1.00 H new HETATM 0 H1M RCY A 187 78.661 -2.500 1.368 1.00 1.00 H new HETATM 0 H1L RCY A 187 78.997 -1.714 -3.722 1.00 1.00 H new HETATM 0 H1C RCY A 187 77.479 2.193 2.209 1.00 1.00 H new