USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 121 RCY H1S : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1MA : A 130 RCY C1M : A 130 RCY C1X :(H bumps) USER MOD NoAdj-H: A 130 RCY H1M : A 130 RCY C1M : A 130 RCY C1X :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Set 1.1: A 62 THR OG1 : rot -61:sc= 2.58! USER MOD Set 1.2: A 65 THR OG1 : rot -63:sc= 1.32! USER MOD Set 2.1: A 50 CYS SG : rot 117:sc= -14! USER MOD Set 2.2: A 84 TYR OH : rot -143:sc= 1.41 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.121 (180deg=-0.857) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.776 F(o=-4.5!,f=-0.78) USER MOD Single : A 7 LYS NZ :NH3+ 151:sc= -0.117 (180deg=-0.645) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -19:sc= 1.6 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 35:sc= 1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.119 (180deg=-0.935) USER MOD Single : A 30 CYS SG : rot -27:sc= -10.5! USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.0379 (180deg=-0.353) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 34 GLN : amide:sc= -1.96! C(o=-2!,f=-2.9!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.691 K(o=0.69,f=-8.5!) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -1.75! (180deg=-2.31!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= -0.249 (180deg=-1.12!) USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= -0.161 (180deg=-1.04) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -3.49! C(o=-6!,f=-3.5!) USER MOD Single : A 57 MET CE :methyl 133:sc= -0.372 (180deg=-1.53!) USER MOD Single : A 60 CYS SG : rot -79:sc= -12.7! USER MOD Single : A 68 CYS SG : rot 57:sc= -4.98! USER MOD Single : A 73 CYS SG : rot 140:sc= -18.7! USER MOD Single : A 74 ASN :FLIP amide:sc= -4.79! C(o=-5.5!,f=-4.8!) USER MOD Single : A 75 HIS : no HD1:sc= -1.19! C(o=-1.2!,f=-1.7!) USER MOD Single : A 76 CYS SG : rot 150:sc= -21! USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 80.492 -7.393 21.250 1.00 1.00 N ATOM 2 CA MET A 1 80.471 -6.095 21.981 1.00 1.00 C ATOM 3 C MET A 1 79.235 -6.036 22.881 1.00 1.00 C ATOM 4 O MET A 1 78.115 -5.983 22.412 1.00 1.00 O ATOM 5 CB MET A 1 80.423 -4.943 20.974 1.00 1.00 C ATOM 6 CG MET A 1 81.483 -5.165 19.894 1.00 1.00 C ATOM 7 SD MET A 1 81.474 -3.766 18.744 1.00 1.00 S ATOM 8 CE MET A 1 83.223 -3.837 18.286 1.00 1.00 C ATOM 0 H1 MET A 1 81.466 -7.612 20.959 1.00 1.00 H new ATOM 0 H2 MET A 1 80.139 -8.148 21.872 1.00 1.00 H new ATOM 0 H3 MET A 1 79.886 -7.327 20.408 1.00 1.00 H new ATOM 0 HA MET A 1 81.370 -6.008 22.591 1.00 1.00 H new ATOM 0 HB2 MET A 1 79.434 -4.883 20.521 1.00 1.00 H new ATOM 0 HB3 MET A 1 80.599 -3.995 21.482 1.00 1.00 H new ATOM 0 HG2 MET A 1 82.467 -5.268 20.351 1.00 1.00 H new ATOM 0 HG3 MET A 1 81.282 -6.092 19.357 1.00 1.00 H new ATOM 0 HE1 MET A 1 83.444 -3.046 17.569 1.00 1.00 H new ATOM 0 HE2 MET A 1 83.838 -3.702 19.176 1.00 1.00 H new ATOM 0 HE3 MET A 1 83.442 -4.806 17.837 1.00 1.00 H new ATOM 17 N ASN A 2 79.428 -6.046 24.172 1.00 1.00 N ATOM 18 CA ASN A 2 78.263 -5.991 25.099 1.00 1.00 C ATOM 19 C ASN A 2 77.457 -4.719 24.831 1.00 1.00 C ATOM 20 O ASN A 2 77.930 -3.795 24.199 1.00 1.00 O ATOM 21 CB ASN A 2 78.763 -5.984 26.546 1.00 1.00 C ATOM 22 CG ASN A 2 79.540 -4.694 26.814 1.00 1.00 C ATOM 23 OD1 ASN A 2 80.244 -4.159 25.855 1.00 1.00 O flip ATOM 24 ND2 ASN A 2 79.506 -4.167 27.908 1.00 1.00 N flip ATOM 0 H ASN A 2 80.341 -6.090 24.624 1.00 1.00 H new ATOM 0 HA ASN A 2 77.629 -6.863 24.938 1.00 1.00 H new ATOM 0 HB2 ASN A 2 77.920 -6.062 27.233 1.00 1.00 H new ATOM 0 HB3 ASN A 2 79.402 -6.849 26.725 1.00 1.00 H new ATOM 0 HD21 ASN A 2 78.956 -4.585 28.658 1.00 1.00 H new ATOM 0 HD22 ASN A 2 80.028 -3.307 28.076 1.00 1.00 H new ATOM 31 N LEU A 3 76.242 -4.663 25.304 1.00 1.00 N ATOM 32 CA LEU A 3 75.407 -3.450 25.073 1.00 1.00 C ATOM 33 C LEU A 3 75.789 -2.371 26.089 1.00 1.00 C ATOM 34 O LEU A 3 75.023 -2.039 26.972 1.00 1.00 O ATOM 35 CB LEU A 3 73.925 -3.805 25.243 1.00 1.00 C ATOM 36 CG LEU A 3 73.440 -4.652 24.058 1.00 1.00 C ATOM 37 CD1 LEU A 3 73.516 -3.838 22.759 1.00 1.00 C ATOM 38 CD2 LEU A 3 74.311 -5.908 23.931 1.00 1.00 C ATOM 0 H LEU A 3 75.791 -5.404 25.840 1.00 1.00 H new ATOM 0 HA LEU A 3 75.577 -3.080 24.062 1.00 1.00 H new ATOM 0 HB2 LEU A 3 73.780 -4.353 26.174 1.00 1.00 H new ATOM 0 HB3 LEU A 3 73.332 -2.893 25.314 1.00 1.00 H new ATOM 0 HG LEU A 3 72.404 -4.944 24.232 1.00 1.00 H new ATOM 0 HD11 LEU A 3 73.170 -4.449 21.926 1.00 1.00 H new ATOM 0 HD12 LEU A 3 72.886 -2.953 22.847 1.00 1.00 H new ATOM 0 HD13 LEU A 3 74.547 -3.533 22.581 1.00 1.00 H new ATOM 0 HD21 LEU A 3 73.965 -6.507 23.089 1.00 1.00 H new ATOM 0 HD22 LEU A 3 75.348 -5.616 23.766 1.00 1.00 H new ATOM 0 HD23 LEU A 3 74.240 -6.494 24.847 1.00 1.00 H new ATOM 50 N GLU A 4 76.967 -1.821 25.972 1.00 1.00 N ATOM 51 CA GLU A 4 77.393 -0.764 26.933 1.00 1.00 C ATOM 52 C GLU A 4 76.815 0.586 26.492 1.00 1.00 C ATOM 53 O GLU A 4 76.640 0.834 25.316 1.00 1.00 O ATOM 54 CB GLU A 4 78.922 -0.682 26.958 1.00 1.00 C ATOM 55 CG GLU A 4 79.459 -0.668 25.525 1.00 1.00 C ATOM 56 CD GLU A 4 80.969 -0.420 25.549 1.00 1.00 C ATOM 57 OE1 GLU A 4 81.360 0.710 25.789 1.00 1.00 O ATOM 58 OE2 GLU A 4 81.708 -1.365 25.327 1.00 1.00 O ATOM 0 H GLU A 4 77.652 -2.057 25.254 1.00 1.00 H new ATOM 0 HA GLU A 4 77.027 -1.009 27.930 1.00 1.00 H new ATOM 0 HB2 GLU A 4 79.239 0.218 27.485 1.00 1.00 H new ATOM 0 HB3 GLU A 4 79.333 -1.532 27.503 1.00 1.00 H new ATOM 0 HG2 GLU A 4 79.243 -1.617 25.035 1.00 1.00 H new ATOM 0 HG3 GLU A 4 78.961 0.110 24.946 1.00 1.00 H new ATOM 65 N PRO A 5 76.521 1.453 27.430 1.00 1.00 N ATOM 66 CA PRO A 5 75.954 2.798 27.140 1.00 1.00 C ATOM 67 C PRO A 5 76.512 3.406 25.846 1.00 1.00 C ATOM 68 O PRO A 5 77.591 3.964 25.834 1.00 1.00 O ATOM 69 CB PRO A 5 76.391 3.617 28.353 1.00 1.00 C ATOM 70 CG PRO A 5 76.443 2.640 29.487 1.00 1.00 C ATOM 71 CD PRO A 5 76.701 1.252 28.878 1.00 1.00 C ATOM 0 HA PRO A 5 74.875 2.768 26.987 1.00 1.00 H new ATOM 0 HB2 PRO A 5 77.364 4.079 28.186 1.00 1.00 H new ATOM 0 HB3 PRO A 5 75.686 4.423 28.559 1.00 1.00 H new ATOM 0 HG2 PRO A 5 77.234 2.906 30.188 1.00 1.00 H new ATOM 0 HG3 PRO A 5 75.507 2.648 30.045 1.00 1.00 H new ATOM 0 HD2 PRO A 5 77.705 0.896 29.109 1.00 1.00 H new ATOM 0 HD3 PRO A 5 76.003 0.511 29.267 1.00 1.00 H new ATOM 79 N PRO A 6 75.783 3.299 24.763 1.00 1.00 N ATOM 80 CA PRO A 6 76.210 3.846 23.448 1.00 1.00 C ATOM 81 C PRO A 6 75.815 5.317 23.277 1.00 1.00 C ATOM 82 O PRO A 6 74.899 5.800 23.912 1.00 1.00 O ATOM 83 CB PRO A 6 75.456 2.965 22.454 1.00 1.00 C ATOM 84 CG PRO A 6 74.187 2.583 23.154 1.00 1.00 C ATOM 85 CD PRO A 6 74.467 2.644 24.665 1.00 1.00 C ATOM 0 HA PRO A 6 77.292 3.830 23.321 1.00 1.00 H new ATOM 0 HB2 PRO A 6 75.249 3.503 21.529 1.00 1.00 H new ATOM 0 HB3 PRO A 6 76.039 2.084 22.187 1.00 1.00 H new ATOM 0 HG2 PRO A 6 73.379 3.263 22.884 1.00 1.00 H new ATOM 0 HG3 PRO A 6 73.872 1.582 22.861 1.00 1.00 H new ATOM 0 HD2 PRO A 6 73.699 3.213 25.190 1.00 1.00 H new ATOM 0 HD3 PRO A 6 74.484 1.648 25.107 1.00 1.00 H new ATOM 93 N LYS A 7 76.495 6.030 22.422 1.00 1.00 N ATOM 94 CA LYS A 7 76.153 7.465 22.212 1.00 1.00 C ATOM 95 C LYS A 7 74.803 7.565 21.500 1.00 1.00 C ATOM 96 O LYS A 7 74.576 6.932 20.488 1.00 1.00 O ATOM 97 CB LYS A 7 77.232 8.128 21.352 1.00 1.00 C ATOM 98 CG LYS A 7 78.589 8.031 22.059 1.00 1.00 C ATOM 99 CD LYS A 7 78.586 8.906 23.319 1.00 1.00 C ATOM 100 CE LYS A 7 80.024 9.278 23.688 1.00 1.00 C ATOM 101 NZ LYS A 7 80.570 10.220 22.670 1.00 1.00 N ATOM 0 H LYS A 7 77.272 5.682 21.860 1.00 1.00 H new ATOM 0 HA LYS A 7 76.097 7.970 23.176 1.00 1.00 H new ATOM 0 HB2 LYS A 7 77.283 7.642 20.378 1.00 1.00 H new ATOM 0 HB3 LYS A 7 76.978 9.173 21.174 1.00 1.00 H new ATOM 0 HG2 LYS A 7 78.796 6.995 22.326 1.00 1.00 H new ATOM 0 HG3 LYS A 7 79.384 8.352 21.385 1.00 1.00 H new ATOM 0 HD2 LYS A 7 77.999 9.808 23.146 1.00 1.00 H new ATOM 0 HD3 LYS A 7 78.115 8.372 24.144 1.00 1.00 H new ATOM 0 HE2 LYS A 7 80.050 9.738 24.676 1.00 1.00 H new ATOM 0 HE3 LYS A 7 80.642 8.381 23.738 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 81.280 10.837 23.113 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 81.013 9.680 21.900 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 79.798 10.801 22.286 1.00 1.00 H new ATOM 115 N ALA A 8 73.904 8.355 22.020 1.00 1.00 N ATOM 116 CA ALA A 8 72.570 8.494 21.371 1.00 1.00 C ATOM 117 C ALA A 8 72.755 8.744 19.873 1.00 1.00 C ATOM 118 O ALA A 8 71.852 8.544 19.085 1.00 1.00 O ATOM 119 CB ALA A 8 71.818 9.671 21.996 1.00 1.00 C ATOM 0 H ALA A 8 74.036 8.910 22.866 1.00 1.00 H new ATOM 0 HA ALA A 8 71.997 7.578 21.518 1.00 1.00 H new ATOM 0 HB1 ALA A 8 70.842 9.773 21.521 1.00 1.00 H new ATOM 0 HB2 ALA A 8 71.686 9.493 23.063 1.00 1.00 H new ATOM 0 HB3 ALA A 8 72.390 10.587 21.850 1.00 1.00 H new ATOM 125 N GLU A 9 73.920 9.179 19.473 1.00 1.00 N ATOM 126 CA GLU A 9 74.165 9.441 18.026 1.00 1.00 C ATOM 127 C GLU A 9 72.979 10.220 17.444 1.00 1.00 C ATOM 128 O GLU A 9 72.218 9.707 16.649 1.00 1.00 O ATOM 129 CB GLU A 9 74.338 8.099 17.291 1.00 1.00 C ATOM 130 CG GLU A 9 75.755 7.997 16.717 1.00 1.00 C ATOM 131 CD GLU A 9 76.773 7.954 17.860 1.00 1.00 C ATOM 132 OE1 GLU A 9 77.056 9.003 18.415 1.00 1.00 O ATOM 133 OE2 GLU A 9 77.253 6.874 18.159 1.00 1.00 O ATOM 0 H GLU A 9 74.713 9.364 20.087 1.00 1.00 H new ATOM 0 HA GLU A 9 75.071 10.033 17.901 1.00 1.00 H new ATOM 0 HB2 GLU A 9 74.154 7.272 17.977 1.00 1.00 H new ATOM 0 HB3 GLU A 9 73.605 8.017 16.489 1.00 1.00 H new ATOM 0 HG2 GLU A 9 75.845 7.101 16.103 1.00 1.00 H new ATOM 0 HG3 GLU A 9 75.957 8.850 16.069 1.00 1.00 H new ATOM 140 N CYS A 10 72.823 11.459 17.839 1.00 1.00 N ATOM 141 CA CYS A 10 71.694 12.290 17.322 1.00 1.00 C ATOM 142 C CYS A 10 70.444 11.422 17.157 1.00 1.00 C ATOM 143 O CYS A 10 70.283 10.734 16.169 1.00 1.00 O ATOM 144 CB CYS A 10 72.080 12.901 15.971 1.00 1.00 C ATOM 145 SG CYS A 10 72.967 11.676 14.976 1.00 1.00 S ATOM 0 H CYS A 10 73.435 11.933 18.503 1.00 1.00 H new ATOM 0 HA CYS A 10 71.483 13.090 18.032 1.00 1.00 H new ATOM 0 HB2 CYS A 10 71.186 13.234 15.443 1.00 1.00 H new ATOM 0 HB3 CYS A 10 72.705 13.780 16.124 1.00 1.00 H new ATOM 150 N ARG A 11 69.559 11.453 18.123 1.00 1.00 N ATOM 151 CA ARG A 11 68.309 10.633 18.043 1.00 1.00 C ATOM 152 C ARG A 11 67.902 10.435 16.579 1.00 1.00 C ATOM 153 O ARG A 11 68.302 9.483 15.940 1.00 1.00 O ATOM 154 CB ARG A 11 67.182 11.354 18.789 1.00 1.00 C ATOM 155 CG ARG A 11 67.553 11.507 20.269 1.00 1.00 C ATOM 156 CD ARG A 11 67.489 10.147 20.976 1.00 1.00 C ATOM 157 NE ARG A 11 66.301 9.384 20.499 1.00 1.00 N ATOM 158 CZ ARG A 11 66.245 8.091 20.665 1.00 1.00 C ATOM 159 NH1 ARG A 11 67.225 7.466 21.257 1.00 1.00 N ATOM 160 NH2 ARG A 11 65.206 7.423 20.241 1.00 1.00 N ATOM 0 H ARG A 11 69.649 12.015 18.969 1.00 1.00 H new ATOM 0 HA ARG A 11 68.491 9.659 18.497 1.00 1.00 H new ATOM 0 HB2 ARG A 11 67.009 12.334 18.345 1.00 1.00 H new ATOM 0 HB3 ARG A 11 66.253 10.792 18.694 1.00 1.00 H new ATOM 0 HG2 ARG A 11 68.556 11.924 20.358 1.00 1.00 H new ATOM 0 HG3 ARG A 11 66.872 12.208 20.751 1.00 1.00 H new ATOM 0 HD2 ARG A 11 68.399 9.581 20.778 1.00 1.00 H new ATOM 0 HD3 ARG A 11 67.431 10.290 22.055 1.00 1.00 H new ATOM 0 HE ARG A 11 65.531 9.873 20.042 1.00 1.00 H new ATOM 0 HH11 ARG A 11 68.035 7.988 21.590 1.00 1.00 H new ATOM 0 HH12 ARG A 11 67.181 6.455 21.387 1.00 1.00 H new ATOM 0 HH21 ARG A 11 64.439 7.912 19.780 1.00 1.00 H new ATOM 0 HH22 ARG A 11 65.162 6.412 20.371 1.00 1.00 H new ATOM 174 N SER A 12 67.119 11.328 16.041 1.00 1.00 N ATOM 175 CA SER A 12 66.703 11.186 14.617 1.00 1.00 C ATOM 176 C SER A 12 65.840 9.933 14.452 1.00 1.00 C ATOM 177 O SER A 12 65.795 9.335 13.396 1.00 1.00 O ATOM 178 CB SER A 12 67.949 11.057 13.743 1.00 1.00 C ATOM 179 OG SER A 12 67.679 11.598 12.456 1.00 1.00 O ATOM 0 H SER A 12 66.750 12.147 16.523 1.00 1.00 H new ATOM 0 HA SER A 12 66.127 12.062 14.318 1.00 1.00 H new ATOM 0 HB2 SER A 12 68.786 11.583 14.203 1.00 1.00 H new ATOM 0 HB3 SER A 12 68.239 10.010 13.656 1.00 1.00 H new ATOM 0 HG SER A 12 68.477 11.518 11.893 1.00 1.00 H new ATOM 185 N ALA A 13 65.157 9.530 15.485 1.00 1.00 N ATOM 186 CA ALA A 13 64.300 8.318 15.383 1.00 1.00 C ATOM 187 C ALA A 13 63.244 8.541 14.301 1.00 1.00 C ATOM 188 O ALA A 13 63.560 8.762 13.149 1.00 1.00 O ATOM 189 CB ALA A 13 63.611 8.066 16.727 1.00 1.00 C ATOM 0 H ALA A 13 65.155 9.988 16.396 1.00 1.00 H new ATOM 0 HA ALA A 13 64.913 7.455 15.124 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.983 7.178 16.653 1.00 1.00 H new ATOM 0 HB2 ALA A 13 64.365 7.914 17.499 1.00 1.00 H new ATOM 0 HB3 ALA A 13 62.994 8.926 16.987 1.00 1.00 H new ATOM 195 N THR A 14 61.993 8.488 14.661 1.00 1.00 N ATOM 196 CA THR A 14 60.916 8.701 13.655 1.00 1.00 C ATOM 197 C THR A 14 61.058 7.678 12.524 1.00 1.00 C ATOM 198 O THR A 14 62.041 7.658 11.812 1.00 1.00 O ATOM 199 CB THR A 14 61.025 10.117 13.079 1.00 1.00 C ATOM 200 OG1 THR A 14 62.003 10.134 12.049 1.00 1.00 O ATOM 201 CG2 THR A 14 61.428 11.095 14.185 1.00 1.00 C ATOM 0 H THR A 14 61.669 8.306 15.611 1.00 1.00 H new ATOM 0 HA THR A 14 59.945 8.577 14.135 1.00 1.00 H new ATOM 0 HB THR A 14 60.060 10.416 12.670 1.00 1.00 H new ATOM 0 HG1 THR A 14 62.589 9.354 12.142 1.00 1.00 H new ATOM 0 HG21 THR A 14 61.504 12.101 13.771 1.00 1.00 H new ATOM 0 HG22 THR A 14 60.675 11.083 14.973 1.00 1.00 H new ATOM 0 HG23 THR A 14 62.392 10.799 14.599 1.00 1.00 H new ATOM 209 N ARG A 15 60.082 6.829 12.352 1.00 1.00 N ATOM 210 CA ARG A 15 60.167 5.813 11.266 1.00 1.00 C ATOM 211 C ARG A 15 60.149 6.516 9.907 1.00 1.00 C ATOM 212 O ARG A 15 61.097 6.450 9.150 1.00 1.00 O ATOM 213 CB ARG A 15 58.975 4.858 11.362 1.00 1.00 C ATOM 214 CG ARG A 15 59.120 3.753 10.313 1.00 1.00 C ATOM 215 CD ARG A 15 57.996 2.728 10.482 1.00 1.00 C ATOM 216 NE ARG A 15 56.686 3.435 10.598 1.00 1.00 N ATOM 217 CZ ARG A 15 56.189 3.724 11.773 1.00 1.00 C ATOM 218 NH1 ARG A 15 56.838 3.404 12.860 1.00 1.00 N ATOM 219 NH2 ARG A 15 55.041 4.337 11.860 1.00 1.00 N ATOM 0 H ARG A 15 59.232 6.795 12.915 1.00 1.00 H new ATOM 0 HA ARG A 15 61.093 5.248 11.371 1.00 1.00 H new ATOM 0 HB2 ARG A 15 58.924 4.422 12.360 1.00 1.00 H new ATOM 0 HB3 ARG A 15 58.045 5.404 11.205 1.00 1.00 H new ATOM 0 HG2 ARG A 15 59.086 4.182 9.312 1.00 1.00 H new ATOM 0 HG3 ARG A 15 60.089 3.265 10.417 1.00 1.00 H new ATOM 0 HD2 ARG A 15 57.979 2.048 9.630 1.00 1.00 H new ATOM 0 HD3 ARG A 15 58.173 2.122 11.370 1.00 1.00 H new ATOM 0 HE ARG A 15 56.175 3.695 9.754 1.00 1.00 H new ATOM 0 HH11 ARG A 15 57.737 2.926 12.795 1.00 1.00 H new ATOM 0 HH12 ARG A 15 56.446 3.632 13.774 1.00 1.00 H new ATOM 0 HH21 ARG A 15 54.533 4.590 11.013 1.00 1.00 H new ATOM 0 HH22 ARG A 15 54.652 4.563 12.775 1.00 1.00 H new ATOM 233 N VAL A 16 59.076 7.191 9.591 1.00 1.00 N ATOM 234 CA VAL A 16 58.995 7.900 8.281 1.00 1.00 C ATOM 235 C VAL A 16 59.483 6.968 7.166 1.00 1.00 C ATOM 236 O VAL A 16 59.405 5.762 7.282 1.00 1.00 O ATOM 237 CB VAL A 16 59.871 9.159 8.327 1.00 1.00 C ATOM 238 CG1 VAL A 16 59.314 10.217 7.367 1.00 1.00 C ATOM 239 CG2 VAL A 16 59.875 9.721 9.752 1.00 1.00 C ATOM 0 H VAL A 16 58.251 7.282 10.184 1.00 1.00 H new ATOM 0 HA VAL A 16 57.962 8.188 8.083 1.00 1.00 H new ATOM 0 HB VAL A 16 60.887 8.901 8.028 1.00 1.00 H new ATOM 0 HG11 VAL A 16 59.940 11.108 7.405 1.00 1.00 H new ATOM 0 HG12 VAL A 16 59.308 9.820 6.352 1.00 1.00 H new ATOM 0 HG13 VAL A 16 58.297 10.476 7.661 1.00 1.00 H new ATOM 0 HG21 VAL A 16 60.497 10.616 9.789 1.00 1.00 H new ATOM 0 HG22 VAL A 16 58.856 9.974 10.046 1.00 1.00 H new ATOM 0 HG23 VAL A 16 60.275 8.973 10.437 1.00 1.00 H new ATOM 249 N MET A 17 59.987 7.526 6.091 1.00 1.00 N ATOM 250 CA MET A 17 60.491 6.693 4.952 1.00 1.00 C ATOM 251 C MET A 17 59.748 5.353 4.896 1.00 1.00 C ATOM 252 O MET A 17 60.133 4.392 5.533 1.00 1.00 O ATOM 253 CB MET A 17 61.992 6.442 5.128 1.00 1.00 C ATOM 254 CG MET A 17 62.307 6.207 6.606 1.00 1.00 C ATOM 255 SD MET A 17 64.031 5.686 6.779 1.00 1.00 S ATOM 256 CE MET A 17 63.741 3.903 6.668 1.00 1.00 C ATOM 0 H MET A 17 60.072 8.533 5.953 1.00 1.00 H new ATOM 0 HA MET A 17 60.314 7.229 4.019 1.00 1.00 H new ATOM 0 HB2 MET A 17 62.297 5.577 4.539 1.00 1.00 H new ATOM 0 HB3 MET A 17 62.559 7.296 4.757 1.00 1.00 H new ATOM 0 HG2 MET A 17 62.133 7.120 7.176 1.00 1.00 H new ATOM 0 HG3 MET A 17 61.643 5.445 7.014 1.00 1.00 H new ATOM 0 HE1 MET A 17 64.690 3.374 6.753 1.00 1.00 H new ATOM 0 HE2 MET A 17 63.079 3.591 7.475 1.00 1.00 H new ATOM 0 HE3 MET A 17 63.279 3.668 5.709 1.00 1.00 H new ATOM 266 N GLY A 18 58.690 5.280 4.135 1.00 1.00 N ATOM 267 CA GLY A 18 57.926 4.003 4.038 1.00 1.00 C ATOM 268 C GLY A 18 57.250 3.912 2.669 1.00 1.00 C ATOM 269 O GLY A 18 57.782 3.337 1.740 1.00 1.00 O ATOM 0 H GLY A 18 58.321 6.049 3.576 1.00 1.00 H new ATOM 0 HA2 GLY A 18 58.596 3.155 4.181 1.00 1.00 H new ATOM 0 HA3 GLY A 18 57.177 3.955 4.829 1.00 1.00 H new ATOM 273 N GLY A 19 56.081 4.475 2.536 1.00 1.00 N ATOM 274 CA GLY A 19 55.372 4.420 1.226 1.00 1.00 C ATOM 275 C GLY A 19 56.274 4.992 0.130 1.00 1.00 C ATOM 276 O GLY A 19 57.401 5.371 0.378 1.00 1.00 O ATOM 0 H GLY A 19 55.586 4.971 3.277 1.00 1.00 H new ATOM 0 HA2 GLY A 19 55.103 3.390 0.989 1.00 1.00 H new ATOM 0 HA3 GLY A 19 54.443 4.988 1.280 1.00 1.00 H new ATOM 280 N PRO A 20 55.776 5.051 -1.077 1.00 1.00 N ATOM 281 CA PRO A 20 56.540 5.584 -2.243 1.00 1.00 C ATOM 282 C PRO A 20 57.191 6.938 -1.943 1.00 1.00 C ATOM 283 O PRO A 20 56.601 7.796 -1.317 1.00 1.00 O ATOM 284 CB PRO A 20 55.478 5.731 -3.337 1.00 1.00 C ATOM 285 CG PRO A 20 54.414 4.743 -2.987 1.00 1.00 C ATOM 286 CD PRO A 20 54.424 4.613 -1.462 1.00 1.00 C ATOM 0 HA PRO A 20 57.364 4.927 -2.521 1.00 1.00 H new ATOM 0 HB2 PRO A 20 55.080 6.745 -3.365 1.00 1.00 H new ATOM 0 HB3 PRO A 20 55.897 5.526 -4.322 1.00 1.00 H new ATOM 0 HG2 PRO A 20 53.440 5.081 -3.341 1.00 1.00 H new ATOM 0 HG3 PRO A 20 54.609 3.780 -3.459 1.00 1.00 H new ATOM 0 HD2 PRO A 20 53.657 5.236 -1.003 1.00 1.00 H new ATOM 0 HD3 PRO A 20 54.232 3.587 -1.147 1.00 1.00 H new ATOM 294 N CYS A 21 58.405 7.133 -2.386 1.00 1.00 N ATOM 295 CA CYS A 21 59.100 8.428 -2.131 1.00 1.00 C ATOM 296 C CYS A 21 59.855 8.859 -3.391 1.00 1.00 C ATOM 297 O CYS A 21 60.071 8.075 -4.293 1.00 1.00 O ATOM 298 CB CYS A 21 60.088 8.257 -0.977 1.00 1.00 C ATOM 299 SG CYS A 21 61.377 7.081 -1.455 1.00 1.00 S ATOM 0 H CYS A 21 58.946 6.449 -2.915 1.00 1.00 H new ATOM 0 HA CYS A 21 58.365 9.190 -1.870 1.00 1.00 H new ATOM 0 HB2 CYS A 21 60.534 9.218 -0.721 1.00 1.00 H new ATOM 0 HB3 CYS A 21 59.567 7.901 -0.088 1.00 1.00 H new ATOM 304 N THR A 22 60.258 10.101 -3.458 1.00 1.00 N ATOM 305 CA THR A 22 61.004 10.589 -4.656 1.00 1.00 C ATOM 306 C THR A 22 62.505 10.644 -4.333 1.00 1.00 C ATOM 307 O THR A 22 62.945 11.496 -3.587 1.00 1.00 O ATOM 308 CB THR A 22 60.518 11.997 -5.013 1.00 1.00 C ATOM 309 OG1 THR A 22 60.807 12.882 -3.941 1.00 1.00 O ATOM 310 CG2 THR A 22 59.010 11.970 -5.263 1.00 1.00 C ATOM 0 H THR A 22 60.102 10.801 -2.732 1.00 1.00 H new ATOM 0 HA THR A 22 60.832 9.914 -5.494 1.00 1.00 H new ATOM 0 HB THR A 22 61.027 12.340 -5.914 1.00 1.00 H new ATOM 0 HG1 THR A 22 61.654 12.622 -3.522 1.00 1.00 H new ATOM 0 HG21 THR A 22 58.665 12.972 -5.517 1.00 1.00 H new ATOM 0 HG22 THR A 22 58.790 11.291 -6.087 1.00 1.00 H new ATOM 0 HG23 THR A 22 58.498 11.627 -4.364 1.00 1.00 H new ATOM 318 N PRO A 23 63.291 9.748 -4.883 1.00 1.00 N ATOM 319 CA PRO A 23 64.762 9.717 -4.629 1.00 1.00 C ATOM 320 C PRO A 23 65.404 11.103 -4.764 1.00 1.00 C ATOM 321 O PRO A 23 64.948 11.938 -5.518 1.00 1.00 O ATOM 322 CB PRO A 23 65.297 8.766 -5.703 1.00 1.00 C ATOM 323 CG PRO A 23 64.155 7.861 -6.028 1.00 1.00 C ATOM 324 CD PRO A 23 62.876 8.671 -5.800 1.00 1.00 C ATOM 0 HA PRO A 23 64.992 9.396 -3.613 1.00 1.00 H new ATOM 0 HB2 PRO A 23 65.628 9.314 -6.585 1.00 1.00 H new ATOM 0 HB3 PRO A 23 66.155 8.202 -5.337 1.00 1.00 H new ATOM 0 HG2 PRO A 23 64.216 7.516 -7.060 1.00 1.00 H new ATOM 0 HG3 PRO A 23 64.170 6.975 -5.394 1.00 1.00 H new ATOM 0 HD2 PRO A 23 62.486 9.072 -6.736 1.00 1.00 H new ATOM 0 HD3 PRO A 23 62.088 8.057 -5.363 1.00 1.00 H new ATOM 332 N ARG A 24 66.458 11.351 -4.035 1.00 1.00 N ATOM 333 CA ARG A 24 67.130 12.681 -4.115 1.00 1.00 C ATOM 334 C ARG A 24 68.269 12.620 -5.136 1.00 1.00 C ATOM 335 O ARG A 24 69.010 11.658 -5.197 1.00 1.00 O ATOM 336 CB ARG A 24 67.697 13.046 -2.738 1.00 1.00 C ATOM 337 CG ARG A 24 68.402 14.413 -2.802 1.00 1.00 C ATOM 338 CD ARG A 24 69.883 14.251 -2.445 1.00 1.00 C ATOM 339 NE ARG A 24 70.007 13.816 -1.025 1.00 1.00 N ATOM 340 CZ ARG A 24 71.177 13.504 -0.537 1.00 1.00 C ATOM 341 NH1 ARG A 24 72.239 13.575 -1.292 1.00 1.00 N ATOM 342 NH2 ARG A 24 71.284 13.120 0.706 1.00 1.00 N ATOM 0 H ARG A 24 66.884 10.689 -3.386 1.00 1.00 H new ATOM 0 HA ARG A 24 66.407 13.436 -4.425 1.00 1.00 H new ATOM 0 HB2 ARG A 24 66.894 13.076 -2.002 1.00 1.00 H new ATOM 0 HB3 ARG A 24 68.400 12.280 -2.411 1.00 1.00 H new ATOM 0 HG2 ARG A 24 68.304 14.837 -3.802 1.00 1.00 H new ATOM 0 HG3 ARG A 24 67.926 15.110 -2.112 1.00 1.00 H new ATOM 0 HD2 ARG A 24 70.349 13.517 -3.103 1.00 1.00 H new ATOM 0 HD3 ARG A 24 70.409 15.194 -2.595 1.00 1.00 H new ATOM 0 HE ARG A 24 69.177 13.762 -0.434 1.00 1.00 H new ATOM 0 HH11 ARG A 24 72.155 13.874 -2.263 1.00 1.00 H new ATOM 0 HH12 ARG A 24 73.153 13.331 -0.911 1.00 1.00 H new ATOM 0 HH21 ARG A 24 70.454 13.064 1.296 1.00 1.00 H new ATOM 0 HH22 ARG A 24 72.198 12.876 1.088 1.00 1.00 H new ATOM 356 N LYS A 25 68.416 13.640 -5.938 1.00 1.00 N ATOM 357 CA LYS A 25 69.509 13.641 -6.951 1.00 1.00 C ATOM 358 C LYS A 25 70.830 14.011 -6.275 1.00 1.00 C ATOM 359 O LYS A 25 70.853 14.488 -5.158 1.00 1.00 O ATOM 360 CB LYS A 25 69.191 14.665 -8.044 1.00 1.00 C ATOM 361 CG LYS A 25 68.811 16.001 -7.401 1.00 1.00 C ATOM 362 CD LYS A 25 68.818 17.099 -8.466 1.00 1.00 C ATOM 363 CE LYS A 25 68.102 18.339 -7.926 1.00 1.00 C ATOM 364 NZ LYS A 25 68.194 19.441 -8.926 1.00 1.00 N ATOM 0 H LYS A 25 67.826 14.472 -5.935 1.00 1.00 H new ATOM 0 HA LYS A 25 69.593 12.649 -7.396 1.00 1.00 H new ATOM 0 HB2 LYS A 25 70.055 14.796 -8.696 1.00 1.00 H new ATOM 0 HB3 LYS A 25 68.373 14.304 -8.668 1.00 1.00 H new ATOM 0 HG2 LYS A 25 67.824 15.929 -6.944 1.00 1.00 H new ATOM 0 HG3 LYS A 25 69.514 16.247 -6.605 1.00 1.00 H new ATOM 0 HD2 LYS A 25 69.843 17.348 -8.740 1.00 1.00 H new ATOM 0 HD3 LYS A 25 68.324 16.746 -9.371 1.00 1.00 H new ATOM 0 HE2 LYS A 25 67.057 18.108 -7.719 1.00 1.00 H new ATOM 0 HE3 LYS A 25 68.552 18.650 -6.983 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 67.708 20.284 -8.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 69.194 19.667 -9.102 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 67.745 19.141 -9.815 1.00 1.00 H new ATOM 378 N GLY A 26 71.931 13.795 -6.941 1.00 1.00 N ATOM 379 CA GLY A 26 73.249 14.134 -6.332 1.00 1.00 C ATOM 380 C GLY A 26 74.301 14.278 -7.435 1.00 1.00 C ATOM 381 O GLY A 26 73.976 14.427 -8.596 1.00 1.00 O ATOM 0 H GLY A 26 71.975 13.399 -7.880 1.00 1.00 H new ATOM 0 HA2 GLY A 26 73.172 15.062 -5.766 1.00 1.00 H new ATOM 0 HA3 GLY A 26 73.548 13.356 -5.630 1.00 1.00 H new ATOM 385 N PRO A 27 75.555 14.234 -7.069 1.00 1.00 N ATOM 386 CA PRO A 27 76.683 14.361 -8.039 1.00 1.00 C ATOM 387 C PRO A 27 76.518 13.413 -9.235 1.00 1.00 C ATOM 388 O PRO A 27 75.785 12.446 -9.166 1.00 1.00 O ATOM 389 CB PRO A 27 77.917 13.981 -7.211 1.00 1.00 C ATOM 390 CG PRO A 27 77.545 14.275 -5.795 1.00 1.00 C ATOM 391 CD PRO A 27 76.035 14.057 -5.689 1.00 1.00 C ATOM 0 HA PRO A 27 76.744 15.360 -8.470 1.00 1.00 H new ATOM 0 HB2 PRO A 27 78.170 12.929 -7.341 1.00 1.00 H new ATOM 0 HB3 PRO A 27 78.789 14.558 -7.517 1.00 1.00 H new ATOM 0 HG2 PRO A 27 78.081 13.619 -5.109 1.00 1.00 H new ATOM 0 HG3 PRO A 27 77.809 15.299 -5.529 1.00 1.00 H new ATOM 0 HD2 PRO A 27 75.800 13.063 -5.309 1.00 1.00 H new ATOM 0 HD3 PRO A 27 75.574 14.775 -5.010 1.00 1.00 H new ATOM 399 N PRO A 28 77.193 13.686 -10.322 1.00 1.00 N ATOM 400 CA PRO A 28 77.116 12.842 -11.545 1.00 1.00 C ATOM 401 C PRO A 28 77.073 11.347 -11.211 1.00 1.00 C ATOM 402 O PRO A 28 77.847 10.856 -10.414 1.00 1.00 O ATOM 403 CB PRO A 28 78.398 13.197 -12.296 1.00 1.00 C ATOM 404 CG PRO A 28 78.695 14.612 -11.911 1.00 1.00 C ATOM 405 CD PRO A 28 78.105 14.828 -10.510 1.00 1.00 C ATOM 0 HA PRO A 28 76.209 13.027 -12.121 1.00 1.00 H new ATOM 0 HB2 PRO A 28 79.216 12.532 -12.017 1.00 1.00 H new ATOM 0 HB3 PRO A 28 78.263 13.101 -13.373 1.00 1.00 H new ATOM 0 HG2 PRO A 28 79.770 14.794 -11.909 1.00 1.00 H new ATOM 0 HG3 PRO A 28 78.255 15.307 -12.626 1.00 1.00 H new ATOM 0 HD2 PRO A 28 78.884 14.845 -9.748 1.00 1.00 H new ATOM 0 HD3 PRO A 28 77.573 15.777 -10.444 1.00 1.00 H new ATOM 413 N LYS A 29 76.171 10.621 -11.814 1.00 1.00 N ATOM 414 CA LYS A 29 76.076 9.161 -11.529 1.00 1.00 C ATOM 415 C LYS A 29 77.102 8.405 -12.376 1.00 1.00 C ATOM 416 O LYS A 29 77.908 8.998 -13.066 1.00 1.00 O ATOM 417 CB LYS A 29 74.665 8.662 -11.864 1.00 1.00 C ATOM 418 CG LYS A 29 74.125 9.404 -13.091 1.00 1.00 C ATOM 419 CD LYS A 29 75.101 9.254 -14.261 1.00 1.00 C ATOM 420 CE LYS A 29 74.397 9.633 -15.567 1.00 1.00 C ATOM 421 NZ LYS A 29 73.428 10.734 -15.305 1.00 1.00 N ATOM 0 H LYS A 29 75.496 10.976 -12.491 1.00 1.00 H new ATOM 0 HA LYS A 29 76.280 8.985 -10.473 1.00 1.00 H new ATOM 0 HB2 LYS A 29 74.686 7.589 -12.057 1.00 1.00 H new ATOM 0 HB3 LYS A 29 74.003 8.820 -11.013 1.00 1.00 H new ATOM 0 HG2 LYS A 29 73.149 9.006 -13.367 1.00 1.00 H new ATOM 0 HG3 LYS A 29 73.984 10.459 -12.856 1.00 1.00 H new ATOM 0 HD2 LYS A 29 75.971 9.892 -14.106 1.00 1.00 H new ATOM 0 HD3 LYS A 29 75.464 8.228 -14.316 1.00 1.00 H new ATOM 0 HE2 LYS A 29 75.130 9.948 -16.310 1.00 1.00 H new ATOM 0 HE3 LYS A 29 73.878 8.767 -15.978 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 73.165 11.186 -16.204 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 72.577 10.346 -14.850 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 73.865 11.439 -14.678 1.00 1.00 H new ATOM 435 N CYS A 30 77.073 7.099 -12.329 1.00 1.00 N ATOM 436 CA CYS A 30 78.038 6.293 -13.132 1.00 1.00 C ATOM 437 C CYS A 30 77.265 5.394 -14.098 1.00 1.00 C ATOM 438 O CYS A 30 77.697 5.142 -15.204 1.00 1.00 O ATOM 439 CB CYS A 30 78.883 5.427 -12.195 1.00 1.00 C ATOM 440 SG CYS A 30 80.212 4.639 -13.138 1.00 1.00 S ATOM 0 H CYS A 30 76.419 6.554 -11.766 1.00 1.00 H new ATOM 0 HA CYS A 30 78.690 6.960 -13.696 1.00 1.00 H new ATOM 0 HB2 CYS A 30 79.302 6.039 -11.396 1.00 1.00 H new ATOM 0 HB3 CYS A 30 78.259 4.669 -11.722 1.00 1.00 H new ATOM 0 HG CYS A 30 79.840 4.496 -14.375 1.00 1.00 H new ATOM 445 N LYS A 31 76.124 4.913 -13.684 1.00 1.00 N ATOM 446 CA LYS A 31 75.306 4.029 -14.566 1.00 1.00 C ATOM 447 C LYS A 31 76.164 2.847 -15.036 1.00 1.00 C ATOM 448 O LYS A 31 77.362 2.958 -15.200 1.00 1.00 O ATOM 449 CB LYS A 31 74.763 4.862 -15.752 1.00 1.00 C ATOM 450 CG LYS A 31 75.102 4.230 -17.118 1.00 1.00 C ATOM 451 CD LYS A 31 76.494 4.685 -17.590 1.00 1.00 C ATOM 452 CE LYS A 31 76.508 4.795 -19.117 1.00 1.00 C ATOM 453 NZ LYS A 31 75.705 5.980 -19.536 1.00 1.00 N ATOM 0 H LYS A 31 75.720 5.096 -12.766 1.00 1.00 H new ATOM 0 HA LYS A 31 74.453 3.623 -14.023 1.00 1.00 H new ATOM 0 HB2 LYS A 31 73.681 4.960 -15.658 1.00 1.00 H new ATOM 0 HB3 LYS A 31 75.180 5.868 -15.707 1.00 1.00 H new ATOM 0 HG2 LYS A 31 75.075 3.143 -17.040 1.00 1.00 H new ATOM 0 HG3 LYS A 31 74.350 4.515 -17.854 1.00 1.00 H new ATOM 0 HD2 LYS A 31 76.744 5.648 -17.144 1.00 1.00 H new ATOM 0 HD3 LYS A 31 77.251 3.974 -17.260 1.00 1.00 H new ATOM 0 HE2 LYS A 31 77.533 4.891 -19.476 1.00 1.00 H new ATOM 0 HE3 LYS A 31 76.098 3.888 -19.562 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 76.046 6.322 -20.457 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 74.704 5.710 -19.616 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 75.805 6.735 -18.828 1.00 1.00 H new ATOM 467 N GLN A 32 75.559 1.706 -15.237 1.00 1.00 N ATOM 468 CA GLN A 32 76.341 0.516 -15.681 1.00 1.00 C ATOM 469 C GLN A 32 75.419 -0.708 -15.747 1.00 1.00 C ATOM 470 O GLN A 32 75.869 -1.823 -15.921 1.00 1.00 O ATOM 471 CB GLN A 32 77.476 0.250 -14.676 1.00 1.00 C ATOM 472 CG GLN A 32 78.832 0.340 -15.380 1.00 1.00 C ATOM 473 CD GLN A 32 79.951 0.245 -14.341 1.00 1.00 C ATOM 474 OE1 GLN A 32 79.822 -0.454 -13.355 1.00 1.00 O ATOM 475 NE2 GLN A 32 81.051 0.923 -14.519 1.00 1.00 N ATOM 0 H GLN A 32 74.559 1.547 -15.113 1.00 1.00 H new ATOM 0 HA GLN A 32 76.763 0.704 -16.668 1.00 1.00 H new ATOM 0 HB2 GLN A 32 77.430 0.975 -13.863 1.00 1.00 H new ATOM 0 HB3 GLN A 32 77.354 -0.737 -14.230 1.00 1.00 H new ATOM 0 HG2 GLN A 32 78.929 -0.464 -16.110 1.00 1.00 H new ATOM 0 HG3 GLN A 32 78.908 1.279 -15.928 1.00 1.00 H new ATOM 0 HE21 GLN A 32 81.160 1.510 -15.346 1.00 1.00 H new ATOM 0 HE22 GLN A 32 81.802 0.866 -13.831 1.00 1.00 H new ATOM 484 N ARG A 33 74.137 -0.511 -15.604 1.00 1.00 N ATOM 485 CA ARG A 33 73.199 -1.670 -15.653 1.00 1.00 C ATOM 486 C ARG A 33 73.663 -2.735 -14.657 1.00 1.00 C ATOM 487 O ARG A 33 74.485 -3.573 -14.969 1.00 1.00 O ATOM 488 CB ARG A 33 73.187 -2.262 -17.067 1.00 1.00 C ATOM 489 CG ARG A 33 72.829 -1.171 -18.092 1.00 1.00 C ATOM 490 CD ARG A 33 71.420 -1.413 -18.641 1.00 1.00 C ATOM 491 NE ARG A 33 71.001 -0.246 -19.467 1.00 1.00 N ATOM 492 CZ ARG A 33 70.579 0.845 -18.888 1.00 1.00 C ATOM 493 NH1 ARG A 33 70.524 0.914 -17.586 1.00 1.00 N ATOM 494 NH2 ARG A 33 70.211 1.867 -19.612 1.00 1.00 N ATOM 0 H ARG A 33 73.699 0.398 -15.456 1.00 1.00 H new ATOM 0 HA ARG A 33 72.194 -1.338 -15.393 1.00 1.00 H new ATOM 0 HB2 ARG A 33 74.164 -2.686 -17.301 1.00 1.00 H new ATOM 0 HB3 ARG A 33 72.465 -3.076 -17.123 1.00 1.00 H new ATOM 0 HG2 ARG A 33 72.882 -0.188 -17.624 1.00 1.00 H new ATOM 0 HG3 ARG A 33 73.552 -1.175 -18.908 1.00 1.00 H new ATOM 0 HD2 ARG A 33 71.404 -2.322 -19.242 1.00 1.00 H new ATOM 0 HD3 ARG A 33 70.719 -1.561 -17.820 1.00 1.00 H new ATOM 0 HE ARG A 33 71.044 -0.300 -20.485 1.00 1.00 H new ATOM 0 HH11 ARG A 33 70.811 0.115 -17.020 1.00 1.00 H new ATOM 0 HH12 ARG A 33 70.194 1.767 -17.134 1.00 1.00 H new ATOM 0 HH21 ARG A 33 70.253 1.813 -20.630 1.00 1.00 H new ATOM 0 HH22 ARG A 33 69.881 2.720 -19.160 1.00 1.00 H new ATOM 508 N GLN A 34 73.147 -2.706 -13.458 1.00 1.00 N ATOM 509 CA GLN A 34 73.564 -3.714 -12.441 1.00 1.00 C ATOM 510 C GLN A 34 73.036 -5.096 -12.835 1.00 1.00 C ATOM 511 O GLN A 34 73.374 -6.091 -12.228 1.00 1.00 O ATOM 512 CB GLN A 34 73.000 -3.321 -11.073 1.00 1.00 C ATOM 513 CG GLN A 34 73.861 -2.214 -10.463 1.00 1.00 C ATOM 514 CD GLN A 34 73.226 -1.736 -9.157 1.00 1.00 C ATOM 515 OE1 GLN A 34 72.951 -0.564 -8.996 1.00 1.00 O ATOM 516 NE2 GLN A 34 72.979 -2.600 -8.210 1.00 1.00 N ATOM 0 H GLN A 34 72.455 -2.028 -13.139 1.00 1.00 H new ATOM 0 HA GLN A 34 74.652 -3.747 -12.391 1.00 1.00 H new ATOM 0 HB2 GLN A 34 71.970 -2.979 -11.177 1.00 1.00 H new ATOM 0 HB3 GLN A 34 72.983 -4.188 -10.413 1.00 1.00 H new ATOM 0 HG2 GLN A 34 74.869 -2.584 -10.276 1.00 1.00 H new ATOM 0 HG3 GLN A 34 73.952 -1.382 -11.162 1.00 1.00 H new ATOM 0 HE21 GLN A 34 73.210 -3.584 -8.345 1.00 1.00 H new ATOM 0 HE22 GLN A 34 72.555 -2.291 -7.335 1.00 1.00 H new ATOM 525 N THR A 35 72.212 -5.165 -13.844 1.00 1.00 N ATOM 526 CA THR A 35 71.666 -6.485 -14.274 1.00 1.00 C ATOM 527 C THR A 35 70.819 -7.080 -13.140 1.00 1.00 C ATOM 528 O THR A 35 70.207 -8.119 -13.289 1.00 1.00 O ATOM 529 CB THR A 35 72.837 -7.419 -14.648 1.00 1.00 C ATOM 530 OG1 THR A 35 72.657 -7.876 -15.981 1.00 1.00 O ATOM 531 CG2 THR A 35 72.913 -8.631 -13.709 1.00 1.00 C ATOM 0 H THR A 35 71.893 -4.365 -14.390 1.00 1.00 H new ATOM 0 HA THR A 35 71.027 -6.365 -15.149 1.00 1.00 H new ATOM 0 HB THR A 35 73.766 -6.856 -14.554 1.00 1.00 H new ATOM 0 HG1 THR A 35 73.398 -8.469 -16.227 1.00 1.00 H new ATOM 0 HG21 THR A 35 73.749 -9.266 -14.002 1.00 1.00 H new ATOM 0 HG22 THR A 35 73.059 -8.289 -12.684 1.00 1.00 H new ATOM 0 HG23 THR A 35 71.985 -9.199 -13.773 1.00 1.00 H new ATOM 539 N ARG A 36 70.777 -6.425 -12.011 1.00 1.00 N ATOM 540 CA ARG A 36 69.969 -6.948 -10.871 1.00 1.00 C ATOM 541 C ARG A 36 70.386 -8.389 -10.568 1.00 1.00 C ATOM 542 O ARG A 36 69.574 -9.220 -10.216 1.00 1.00 O ATOM 543 CB ARG A 36 68.481 -6.910 -11.236 1.00 1.00 C ATOM 544 CG ARG A 36 67.943 -5.488 -11.050 1.00 1.00 C ATOM 545 CD ARG A 36 66.574 -5.356 -11.729 1.00 1.00 C ATOM 546 NE ARG A 36 66.763 -4.948 -13.153 1.00 1.00 N ATOM 547 CZ ARG A 36 66.754 -5.842 -14.110 1.00 1.00 C ATOM 548 NH1 ARG A 36 66.582 -7.106 -13.833 1.00 1.00 N ATOM 549 NH2 ARG A 36 66.920 -5.466 -15.349 1.00 1.00 N ATOM 0 H ARG A 36 71.268 -5.550 -11.829 1.00 1.00 H new ATOM 0 HA ARG A 36 70.141 -6.328 -9.991 1.00 1.00 H new ATOM 0 HB2 ARG A 36 68.341 -7.231 -12.268 1.00 1.00 H new ATOM 0 HB3 ARG A 36 67.924 -7.605 -10.608 1.00 1.00 H new ATOM 0 HG2 ARG A 36 67.856 -5.259 -9.988 1.00 1.00 H new ATOM 0 HG3 ARG A 36 68.641 -4.767 -11.476 1.00 1.00 H new ATOM 0 HD2 ARG A 36 66.038 -6.304 -11.679 1.00 1.00 H new ATOM 0 HD3 ARG A 36 65.966 -4.618 -11.206 1.00 1.00 H new ATOM 0 HE ARG A 36 66.900 -3.964 -13.382 1.00 1.00 H new ATOM 0 HH11 ARG A 36 66.453 -7.403 -12.866 1.00 1.00 H new ATOM 0 HH12 ARG A 36 66.576 -7.796 -14.584 1.00 1.00 H new ATOM 0 HH21 ARG A 36 67.056 -4.479 -15.569 1.00 1.00 H new ATOM 0 HH22 ARG A 36 66.914 -6.159 -16.097 1.00 1.00 H new ATOM 563 N GLN A 37 71.649 -8.689 -10.699 1.00 1.00 N ATOM 564 CA GLN A 37 72.124 -10.073 -10.416 1.00 1.00 C ATOM 565 C GLN A 37 73.654 -10.102 -10.500 1.00 1.00 C ATOM 566 O GLN A 37 74.282 -9.129 -10.867 1.00 1.00 O ATOM 567 CB GLN A 37 71.524 -11.042 -11.450 1.00 1.00 C ATOM 568 CG GLN A 37 70.586 -12.038 -10.757 1.00 1.00 C ATOM 569 CD GLN A 37 71.411 -13.057 -9.969 1.00 1.00 C ATOM 570 OE1 GLN A 37 72.605 -13.172 -10.165 1.00 1.00 O ATOM 571 NE2 GLN A 37 70.821 -13.808 -9.080 1.00 1.00 N ATOM 0 H GLN A 37 72.374 -8.034 -10.991 1.00 1.00 H new ATOM 0 HA GLN A 37 71.809 -10.378 -9.418 1.00 1.00 H new ATOM 0 HB2 GLN A 37 70.977 -10.483 -12.209 1.00 1.00 H new ATOM 0 HB3 GLN A 37 72.322 -11.579 -11.963 1.00 1.00 H new ATOM 0 HG2 GLN A 37 69.908 -11.509 -10.088 1.00 1.00 H new ATOM 0 HG3 GLN A 37 69.970 -12.548 -11.497 1.00 1.00 H new ATOM 0 HE21 GLN A 37 69.819 -13.712 -8.915 1.00 1.00 H new ATOM 0 HE22 GLN A 37 71.362 -14.491 -8.550 1.00 1.00 H new ATOM 580 N CYS A 38 74.257 -11.209 -10.163 1.00 1.00 N ATOM 581 CA CYS A 38 75.743 -11.294 -10.222 1.00 1.00 C ATOM 582 C CYS A 38 76.177 -12.752 -10.056 1.00 1.00 C ATOM 583 O CYS A 38 76.009 -13.343 -9.008 1.00 1.00 O ATOM 584 CB CYS A 38 76.347 -10.451 -9.095 1.00 1.00 C ATOM 585 SG CYS A 38 76.692 -8.780 -9.703 1.00 1.00 S ATOM 0 H CYS A 38 73.785 -12.057 -9.850 1.00 1.00 H new ATOM 0 HA CYS A 38 76.091 -10.918 -11.184 1.00 1.00 H new ATOM 0 HB2 CYS A 38 75.658 -10.407 -8.251 1.00 1.00 H new ATOM 0 HB3 CYS A 38 77.265 -10.914 -8.733 1.00 1.00 H new ATOM 590 N LYS A 39 76.744 -13.336 -11.076 1.00 1.00 N ATOM 591 CA LYS A 39 77.194 -14.751 -10.957 1.00 1.00 C ATOM 592 C LYS A 39 78.214 -14.850 -9.822 1.00 1.00 C ATOM 593 O LYS A 39 78.405 -15.895 -9.232 1.00 1.00 O ATOM 594 CB LYS A 39 77.839 -15.206 -12.272 1.00 1.00 C ATOM 595 CG LYS A 39 77.038 -14.670 -13.466 1.00 1.00 C ATOM 596 CD LYS A 39 75.572 -15.114 -13.369 1.00 1.00 C ATOM 597 CE LYS A 39 75.491 -16.642 -13.286 1.00 1.00 C ATOM 598 NZ LYS A 39 76.528 -17.246 -14.170 1.00 1.00 N ATOM 0 H LYS A 39 76.914 -12.898 -11.981 1.00 1.00 H new ATOM 0 HA LYS A 39 76.338 -15.392 -10.745 1.00 1.00 H new ATOM 0 HB2 LYS A 39 78.867 -14.849 -12.324 1.00 1.00 H new ATOM 0 HB3 LYS A 39 77.878 -16.295 -12.309 1.00 1.00 H new ATOM 0 HG2 LYS A 39 77.094 -13.582 -13.491 1.00 1.00 H new ATOM 0 HG3 LYS A 39 77.474 -15.033 -14.397 1.00 1.00 H new ATOM 0 HD2 LYS A 39 75.106 -14.669 -12.490 1.00 1.00 H new ATOM 0 HD3 LYS A 39 75.018 -14.759 -14.238 1.00 1.00 H new ATOM 0 HE2 LYS A 39 75.641 -16.969 -12.257 1.00 1.00 H new ATOM 0 HE3 LYS A 39 74.500 -16.981 -13.587 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 76.215 -18.188 -14.479 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 76.672 -16.639 -15.002 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 77.422 -17.333 -13.647 1.00 1.00 H new ATOM 612 N SER A 40 78.866 -13.763 -9.507 1.00 1.00 N ATOM 613 CA SER A 40 79.868 -13.786 -8.405 1.00 1.00 C ATOM 614 C SER A 40 79.144 -14.001 -7.074 1.00 1.00 C ATOM 615 O SER A 40 78.619 -13.077 -6.485 1.00 1.00 O ATOM 616 CB SER A 40 80.618 -12.454 -8.369 1.00 1.00 C ATOM 617 OG SER A 40 81.019 -12.106 -9.688 1.00 1.00 O ATOM 0 H SER A 40 78.747 -12.860 -9.966 1.00 1.00 H new ATOM 0 HA SER A 40 80.579 -14.595 -8.572 1.00 1.00 H new ATOM 0 HB2 SER A 40 79.979 -11.675 -7.953 1.00 1.00 H new ATOM 0 HB3 SER A 40 81.490 -12.532 -7.720 1.00 1.00 H new ATOM 0 HG SER A 40 81.499 -11.252 -9.669 1.00 1.00 H new ATOM 623 N LYS A 41 79.108 -15.215 -6.601 1.00 1.00 N ATOM 624 CA LYS A 41 78.413 -15.496 -5.314 1.00 1.00 C ATOM 625 C LYS A 41 78.924 -14.532 -4.235 1.00 1.00 C ATOM 626 O LYS A 41 80.100 -14.233 -4.176 1.00 1.00 O ATOM 627 CB LYS A 41 78.701 -16.937 -4.887 1.00 1.00 C ATOM 628 CG LYS A 41 78.223 -17.900 -5.975 1.00 1.00 C ATOM 629 CD LYS A 41 78.802 -19.292 -5.717 1.00 1.00 C ATOM 630 CE LYS A 41 78.442 -20.220 -6.879 1.00 1.00 C ATOM 631 NZ LYS A 41 78.865 -19.595 -8.164 1.00 1.00 N ATOM 0 H LYS A 41 79.531 -16.027 -7.051 1.00 1.00 H new ATOM 0 HA LYS A 41 77.339 -15.360 -5.442 1.00 1.00 H new ATOM 0 HB2 LYS A 41 79.769 -17.069 -4.714 1.00 1.00 H new ATOM 0 HB3 LYS A 41 78.196 -17.156 -3.946 1.00 1.00 H new ATOM 0 HG2 LYS A 41 77.134 -17.944 -5.983 1.00 1.00 H new ATOM 0 HG3 LYS A 41 78.535 -17.541 -6.956 1.00 1.00 H new ATOM 0 HD2 LYS A 41 79.885 -19.232 -5.608 1.00 1.00 H new ATOM 0 HD3 LYS A 41 78.409 -19.693 -4.783 1.00 1.00 H new ATOM 0 HE2 LYS A 41 78.933 -21.185 -6.753 1.00 1.00 H new ATOM 0 HE3 LYS A 41 77.368 -20.407 -6.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 79.006 -20.336 -8.880 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 78.129 -18.935 -8.488 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 79.756 -19.077 -8.022 1.00 1.00 H new ATOM 645 N PRO A 42 78.051 -14.052 -3.384 1.00 1.00 N ATOM 646 CA PRO A 42 78.433 -13.112 -2.288 1.00 1.00 C ATOM 647 C PRO A 42 79.177 -13.827 -1.153 1.00 1.00 C ATOM 648 O PRO A 42 79.106 -15.033 -1.022 1.00 1.00 O ATOM 649 CB PRO A 42 77.087 -12.573 -1.794 1.00 1.00 C ATOM 650 CG PRO A 42 76.103 -13.653 -2.100 1.00 1.00 C ATOM 651 CD PRO A 42 76.606 -14.347 -3.367 1.00 1.00 C ATOM 0 HA PRO A 42 79.113 -12.333 -2.632 1.00 1.00 H new ATOM 0 HB2 PRO A 42 77.116 -12.357 -0.726 1.00 1.00 H new ATOM 0 HB3 PRO A 42 76.824 -11.644 -2.300 1.00 1.00 H new ATOM 0 HG2 PRO A 42 76.031 -14.359 -1.273 1.00 1.00 H new ATOM 0 HG3 PRO A 42 75.106 -13.239 -2.253 1.00 1.00 H new ATOM 0 HD2 PRO A 42 76.418 -15.420 -3.336 1.00 1.00 H new ATOM 0 HD3 PRO A 42 76.109 -13.962 -4.257 1.00 1.00 H new ATOM 659 N PRO A 43 79.881 -13.087 -0.338 1.00 1.00 N ATOM 660 CA PRO A 43 80.647 -13.659 0.808 1.00 1.00 C ATOM 661 C PRO A 43 79.721 -14.275 1.863 1.00 1.00 C ATOM 662 O PRO A 43 78.716 -13.698 2.230 1.00 1.00 O ATOM 663 CB PRO A 43 81.407 -12.457 1.387 1.00 1.00 C ATOM 664 CG PRO A 43 80.654 -11.252 0.924 1.00 1.00 C ATOM 665 CD PRO A 43 80.026 -11.625 -0.418 1.00 1.00 C ATOM 0 HA PRO A 43 81.306 -14.468 0.493 1.00 1.00 H new ATOM 0 HB2 PRO A 43 81.444 -12.503 2.475 1.00 1.00 H new ATOM 0 HB3 PRO A 43 82.438 -12.436 1.033 1.00 1.00 H new ATOM 0 HG2 PRO A 43 79.888 -10.971 1.647 1.00 1.00 H new ATOM 0 HG3 PRO A 43 81.320 -10.396 0.817 1.00 1.00 H new ATOM 0 HD2 PRO A 43 79.063 -11.134 -0.560 1.00 1.00 H new ATOM 0 HD3 PRO A 43 80.661 -11.330 -1.253 1.00 1.00 H new ATOM 673 N LYS A 44 80.051 -15.444 2.347 1.00 1.00 N ATOM 674 CA LYS A 44 79.193 -16.106 3.374 1.00 1.00 C ATOM 675 C LYS A 44 79.985 -16.255 4.676 1.00 1.00 C ATOM 676 O LYS A 44 79.423 -16.294 5.753 1.00 1.00 O ATOM 677 CB LYS A 44 78.776 -17.492 2.863 1.00 1.00 C ATOM 678 CG LYS A 44 77.582 -18.028 3.675 1.00 1.00 C ATOM 679 CD LYS A 44 78.079 -18.940 4.805 1.00 1.00 C ATOM 680 CE LYS A 44 78.299 -20.358 4.270 1.00 1.00 C ATOM 681 NZ LYS A 44 76.996 -20.930 3.828 1.00 1.00 N ATOM 0 H LYS A 44 80.881 -15.971 2.074 1.00 1.00 H new ATOM 0 HA LYS A 44 78.304 -15.503 3.559 1.00 1.00 H new ATOM 0 HB2 LYS A 44 78.509 -17.432 1.808 1.00 1.00 H new ATOM 0 HB3 LYS A 44 79.616 -18.183 2.940 1.00 1.00 H new ATOM 0 HG2 LYS A 44 77.013 -17.197 4.092 1.00 1.00 H new ATOM 0 HG3 LYS A 44 76.907 -18.581 3.022 1.00 1.00 H new ATOM 0 HD2 LYS A 44 79.009 -18.549 5.218 1.00 1.00 H new ATOM 0 HD3 LYS A 44 77.352 -18.957 5.617 1.00 1.00 H new ATOM 0 HE2 LYS A 44 79.001 -20.339 3.437 1.00 1.00 H new ATOM 0 HE3 LYS A 44 78.740 -20.986 5.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 76.999 -21.959 3.981 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 76.224 -20.500 4.377 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 76.854 -20.731 2.817 1.00 1.00 H new ATOM 695 N LYS A 45 81.286 -16.341 4.584 1.00 1.00 N ATOM 696 CA LYS A 45 82.123 -16.490 5.813 1.00 1.00 C ATOM 697 C LYS A 45 83.227 -15.432 5.809 1.00 1.00 C ATOM 698 O LYS A 45 84.221 -15.556 6.498 1.00 1.00 O ATOM 699 CB LYS A 45 82.760 -17.882 5.832 1.00 1.00 C ATOM 700 CG LYS A 45 81.663 -18.950 5.803 1.00 1.00 C ATOM 701 CD LYS A 45 82.242 -20.299 6.237 1.00 1.00 C ATOM 702 CE LYS A 45 83.279 -20.768 5.214 1.00 1.00 C ATOM 703 NZ LYS A 45 83.636 -22.190 5.486 1.00 1.00 N ATOM 0 H LYS A 45 81.808 -16.314 3.708 1.00 1.00 H new ATOM 0 HA LYS A 45 81.496 -16.362 6.695 1.00 1.00 H new ATOM 0 HB2 LYS A 45 83.421 -18.002 4.974 1.00 1.00 H new ATOM 0 HB3 LYS A 45 83.373 -18.000 6.726 1.00 1.00 H new ATOM 0 HG2 LYS A 45 80.846 -18.664 6.466 1.00 1.00 H new ATOM 0 HG3 LYS A 45 81.246 -19.029 4.799 1.00 1.00 H new ATOM 0 HD2 LYS A 45 82.703 -20.208 7.221 1.00 1.00 H new ATOM 0 HD3 LYS A 45 81.444 -21.037 6.325 1.00 1.00 H new ATOM 0 HE2 LYS A 45 82.881 -20.668 4.204 1.00 1.00 H new ATOM 0 HE3 LYS A 45 84.169 -20.141 5.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 84.341 -22.510 4.791 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 84.032 -22.271 6.444 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 82.784 -22.782 5.413 1.00 1.00 H new ATOM 717 N GLY A 46 83.067 -14.391 5.038 1.00 1.00 N ATOM 718 CA GLY A 46 84.114 -13.332 4.993 1.00 1.00 C ATOM 719 C GLY A 46 85.484 -13.983 4.798 1.00 1.00 C ATOM 720 O GLY A 46 86.265 -14.098 5.721 1.00 1.00 O ATOM 0 H GLY A 46 82.258 -14.229 4.438 1.00 1.00 H new ATOM 0 HA2 GLY A 46 83.910 -12.637 4.179 1.00 1.00 H new ATOM 0 HA3 GLY A 46 84.102 -12.753 5.917 1.00 1.00 H new ATOM 724 N VAL A 47 85.779 -14.417 3.603 1.00 1.00 N ATOM 725 CA VAL A 47 87.096 -15.067 3.350 1.00 1.00 C ATOM 726 C VAL A 47 88.204 -14.012 3.378 1.00 1.00 C ATOM 727 O VAL A 47 89.230 -14.160 2.745 1.00 1.00 O ATOM 728 CB VAL A 47 87.070 -15.749 1.979 1.00 1.00 C ATOM 729 CG1 VAL A 47 88.137 -16.845 1.928 1.00 1.00 C ATOM 730 CG2 VAL A 47 85.691 -16.373 1.749 1.00 1.00 C ATOM 0 H VAL A 47 85.165 -14.350 2.791 1.00 1.00 H new ATOM 0 HA VAL A 47 87.289 -15.811 4.123 1.00 1.00 H new ATOM 0 HB VAL A 47 87.273 -15.010 1.204 1.00 1.00 H new ATOM 0 HG11 VAL A 47 88.116 -17.328 0.951 1.00 1.00 H new ATOM 0 HG12 VAL A 47 89.120 -16.404 2.093 1.00 1.00 H new ATOM 0 HG13 VAL A 47 87.936 -17.585 2.703 1.00 1.00 H new ATOM 0 HG21 VAL A 47 85.670 -16.859 0.774 1.00 1.00 H new ATOM 0 HG22 VAL A 47 85.491 -17.110 2.526 1.00 1.00 H new ATOM 0 HG23 VAL A 47 84.929 -15.594 1.783 1.00 1.00 H new ATOM 740 N GLN A 48 88.007 -12.948 4.108 1.00 1.00 N ATOM 741 CA GLN A 48 89.050 -11.887 4.177 1.00 1.00 C ATOM 742 C GLN A 48 89.214 -11.243 2.797 1.00 1.00 C ATOM 743 O GLN A 48 89.599 -11.889 1.842 1.00 1.00 O ATOM 744 CB GLN A 48 90.382 -12.508 4.618 1.00 1.00 C ATOM 745 CG GLN A 48 91.251 -11.446 5.297 1.00 1.00 C ATOM 746 CD GLN A 48 91.344 -10.209 4.402 1.00 1.00 C ATOM 747 OE1 GLN A 48 90.469 -9.251 4.541 1.00 1.00 O flip ATOM 748 NE2 GLN A 48 92.221 -10.114 3.566 1.00 1.00 N flip ATOM 0 H GLN A 48 87.168 -12.768 4.660 1.00 1.00 H new ATOM 0 HA GLN A 48 88.750 -11.126 4.898 1.00 1.00 H new ATOM 0 HB2 GLN A 48 90.199 -13.334 5.305 1.00 1.00 H new ATOM 0 HB3 GLN A 48 90.904 -12.921 3.755 1.00 1.00 H new ATOM 0 HG2 GLN A 48 90.825 -11.177 6.263 1.00 1.00 H new ATOM 0 HG3 GLN A 48 92.247 -11.845 5.488 1.00 1.00 H new ATOM 0 HE21 GLN A 48 92.905 -10.863 3.457 1.00 1.00 H new ATOM 0 HE22 GLN A 48 92.273 -9.286 2.973 1.00 1.00 H new ATOM 757 N GLY A 49 88.923 -9.976 2.684 1.00 1.00 N ATOM 758 CA GLY A 49 89.063 -9.295 1.366 1.00 1.00 C ATOM 759 C GLY A 49 88.340 -7.948 1.403 1.00 1.00 C ATOM 760 O GLY A 49 87.597 -7.607 0.504 1.00 1.00 O ATOM 0 H GLY A 49 88.595 -9.384 3.447 1.00 1.00 H new ATOM 0 HA2 GLY A 49 90.117 -9.147 1.133 1.00 1.00 H new ATOM 0 HA3 GLY A 49 88.647 -9.921 0.576 1.00 1.00 H new ATOM 764 N CYS A 50 88.552 -7.176 2.435 1.00 1.00 N ATOM 765 CA CYS A 50 87.878 -5.850 2.527 1.00 1.00 C ATOM 766 C CYS A 50 88.791 -4.866 3.262 1.00 1.00 C ATOM 767 O CYS A 50 89.116 -3.810 2.757 1.00 1.00 O ATOM 768 CB CYS A 50 86.559 -6.000 3.292 1.00 1.00 C ATOM 769 SG CYS A 50 85.202 -6.289 2.125 1.00 1.00 S ATOM 0 H CYS A 50 89.163 -7.407 3.218 1.00 1.00 H new ATOM 0 HA CYS A 50 87.673 -5.474 1.525 1.00 1.00 H new ATOM 0 HB2 CYS A 50 86.628 -6.829 3.996 1.00 1.00 H new ATOM 0 HB3 CYS A 50 86.363 -5.101 3.877 1.00 1.00 H new ATOM 0 HG CYS A 50 84.684 -7.461 2.343 1.00 1.00 H new ATOM 774 N GLY A 51 89.206 -5.203 4.452 1.00 1.00 N ATOM 775 CA GLY A 51 90.097 -4.285 5.217 1.00 1.00 C ATOM 776 C GLY A 51 89.449 -2.903 5.312 1.00 1.00 C ATOM 777 O GLY A 51 88.267 -2.744 5.079 1.00 1.00 O ATOM 0 H GLY A 51 88.967 -6.073 4.927 1.00 1.00 H new ATOM 0 HA2 GLY A 51 90.276 -4.684 6.216 1.00 1.00 H new ATOM 0 HA3 GLY A 51 91.067 -4.210 4.726 1.00 1.00 H new ATOM 781 N ASP A 52 90.213 -1.902 5.653 1.00 1.00 N ATOM 782 CA ASP A 52 89.642 -0.530 5.764 1.00 1.00 C ATOM 783 C ASP A 52 90.776 0.477 5.961 1.00 1.00 C ATOM 784 O ASP A 52 90.759 1.275 6.877 1.00 1.00 O ATOM 785 CB ASP A 52 88.692 -0.469 6.962 1.00 1.00 C ATOM 786 CG ASP A 52 87.910 0.845 6.930 1.00 1.00 C ATOM 787 OD1 ASP A 52 87.196 1.063 5.965 1.00 1.00 O ATOM 788 OD2 ASP A 52 88.039 1.612 7.870 1.00 1.00 O ATOM 0 H ASP A 52 91.209 -1.975 5.860 1.00 1.00 H new ATOM 0 HA ASP A 52 89.094 -0.288 4.853 1.00 1.00 H new ATOM 0 HB2 ASP A 52 88.004 -1.314 6.937 1.00 1.00 H new ATOM 0 HB3 ASP A 52 89.257 -0.545 7.891 1.00 1.00 H new ATOM 793 N ASP A 53 91.767 0.444 5.110 1.00 1.00 N ATOM 794 CA ASP A 53 92.907 1.396 5.249 1.00 1.00 C ATOM 795 C ASP A 53 92.675 2.617 4.356 1.00 1.00 C ATOM 796 O ASP A 53 93.608 3.243 3.893 1.00 1.00 O ATOM 797 CB ASP A 53 94.203 0.699 4.830 1.00 1.00 C ATOM 798 CG ASP A 53 94.431 -0.530 5.713 1.00 1.00 C ATOM 799 OD1 ASP A 53 93.528 -0.876 6.457 1.00 1.00 O ATOM 800 OD2 ASP A 53 95.504 -1.104 5.629 1.00 1.00 O ATOM 0 H ASP A 53 91.836 -0.202 4.324 1.00 1.00 H new ATOM 0 HA ASP A 53 92.982 1.719 6.287 1.00 1.00 H new ATOM 0 HB2 ASP A 53 94.146 0.402 3.783 1.00 1.00 H new ATOM 0 HB3 ASP A 53 95.044 1.386 4.921 1.00 1.00 H new ATOM 805 N ILE A 54 91.440 2.965 4.110 1.00 1.00 N ATOM 806 CA ILE A 54 91.158 4.150 3.249 1.00 1.00 C ATOM 807 C ILE A 54 89.824 4.782 3.683 1.00 1.00 C ATOM 808 O ILE A 54 88.791 4.586 3.078 1.00 1.00 O ATOM 809 CB ILE A 54 91.126 3.699 1.774 1.00 1.00 C ATOM 810 CG1 ILE A 54 91.388 4.901 0.850 1.00 1.00 C ATOM 811 CG2 ILE A 54 89.781 3.047 1.420 1.00 1.00 C ATOM 812 CD1 ILE A 54 90.383 6.022 1.126 1.00 1.00 C ATOM 0 H ILE A 54 90.616 2.481 4.467 1.00 1.00 H new ATOM 0 HA ILE A 54 91.938 4.904 3.357 1.00 1.00 H new ATOM 0 HB ILE A 54 91.910 2.956 1.631 1.00 1.00 H new ATOM 0 HG12 ILE A 54 92.403 5.269 1.002 1.00 1.00 H new ATOM 0 HG13 ILE A 54 91.315 4.588 -0.192 1.00 1.00 H new ATOM 0 HG21 ILE A 54 89.790 2.740 0.374 1.00 1.00 H new ATOM 0 HG22 ILE A 54 89.622 2.174 2.053 1.00 1.00 H new ATOM 0 HG23 ILE A 54 88.976 3.764 1.581 1.00 1.00 H new ATOM 0 HD11 ILE A 54 90.585 6.863 0.463 1.00 1.00 H new ATOM 0 HD12 ILE A 54 89.372 5.655 0.950 1.00 1.00 H new ATOM 0 HD13 ILE A 54 90.476 6.347 2.162 1.00 1.00 H new ATOM 824 N PRO A 55 89.855 5.542 4.747 1.00 1.00 N ATOM 825 CA PRO A 55 88.656 6.224 5.295 1.00 1.00 C ATOM 826 C PRO A 55 88.458 7.626 4.705 1.00 1.00 C ATOM 827 O PRO A 55 88.908 8.609 5.260 1.00 1.00 O ATOM 828 CB PRO A 55 88.982 6.312 6.784 1.00 1.00 C ATOM 829 CG PRO A 55 90.474 6.455 6.847 1.00 1.00 C ATOM 830 CD PRO A 55 91.045 5.833 5.560 1.00 1.00 C ATOM 0 HA PRO A 55 87.732 5.694 5.066 1.00 1.00 H new ATOM 0 HB2 PRO A 55 88.484 7.164 7.247 1.00 1.00 H new ATOM 0 HB3 PRO A 55 88.648 5.420 7.314 1.00 1.00 H new ATOM 0 HG2 PRO A 55 90.757 7.505 6.926 1.00 1.00 H new ATOM 0 HG3 PRO A 55 90.872 5.951 7.728 1.00 1.00 H new ATOM 0 HD2 PRO A 55 91.719 6.521 5.049 1.00 1.00 H new ATOM 0 HD3 PRO A 55 91.614 4.928 5.773 1.00 1.00 H new ATOM 838 N GLY A 56 87.789 7.730 3.588 1.00 1.00 N ATOM 839 CA GLY A 56 87.569 9.074 2.980 1.00 1.00 C ATOM 840 C GLY A 56 87.261 8.927 1.488 1.00 1.00 C ATOM 841 O GLY A 56 86.789 9.847 0.850 1.00 1.00 O ATOM 0 H GLY A 56 87.387 6.947 3.073 1.00 1.00 H new ATOM 0 HA2 GLY A 56 86.744 9.579 3.482 1.00 1.00 H new ATOM 0 HA3 GLY A 56 88.454 9.695 3.118 1.00 1.00 H new ATOM 845 N MET A 57 87.525 7.780 0.924 1.00 1.00 N ATOM 846 CA MET A 57 87.247 7.584 -0.527 1.00 1.00 C ATOM 847 C MET A 57 87.838 8.752 -1.321 1.00 1.00 C ATOM 848 O MET A 57 89.039 8.878 -1.456 1.00 1.00 O ATOM 849 CB MET A 57 85.735 7.525 -0.755 1.00 1.00 C ATOM 850 CG MET A 57 85.139 6.376 0.062 1.00 1.00 C ATOM 851 SD MET A 57 85.038 6.858 1.805 1.00 1.00 S ATOM 852 CE MET A 57 83.767 8.136 1.628 1.00 1.00 C ATOM 0 H MET A 57 87.920 6.972 1.404 1.00 1.00 H new ATOM 0 HA MET A 57 87.700 6.651 -0.861 1.00 1.00 H new ATOM 0 HB2 MET A 57 85.276 8.469 -0.463 1.00 1.00 H new ATOM 0 HB3 MET A 57 85.522 7.381 -1.814 1.00 1.00 H new ATOM 0 HG2 MET A 57 84.147 6.125 -0.314 1.00 1.00 H new ATOM 0 HG3 MET A 57 85.755 5.483 -0.044 1.00 1.00 H new ATOM 0 HE1 MET A 57 83.004 7.998 2.394 1.00 1.00 H new ATOM 0 HE2 MET A 57 84.222 9.120 1.742 1.00 1.00 H new ATOM 0 HE3 MET A 57 83.309 8.060 0.642 1.00 1.00 H new ATOM 862 N GLU A 58 87.005 9.610 -1.847 1.00 1.00 N ATOM 863 CA GLU A 58 87.524 10.767 -2.630 1.00 1.00 C ATOM 864 C GLU A 58 86.365 11.696 -3.001 1.00 1.00 C ATOM 865 O GLU A 58 86.566 12.841 -3.355 1.00 1.00 O ATOM 866 CB GLU A 58 88.203 10.254 -3.906 1.00 1.00 C ATOM 867 CG GLU A 58 88.521 11.427 -4.841 1.00 1.00 C ATOM 868 CD GLU A 58 89.247 12.527 -4.064 1.00 1.00 C ATOM 869 OE1 GLU A 58 90.193 12.205 -3.364 1.00 1.00 O ATOM 870 OE2 GLU A 58 88.844 13.672 -4.181 1.00 1.00 O ATOM 0 H GLU A 58 85.989 9.559 -1.768 1.00 1.00 H new ATOM 0 HA GLU A 58 88.248 11.318 -2.030 1.00 1.00 H new ATOM 0 HB2 GLU A 58 89.120 9.723 -3.651 1.00 1.00 H new ATOM 0 HB3 GLU A 58 87.552 9.541 -4.412 1.00 1.00 H new ATOM 0 HG2 GLU A 58 89.140 11.085 -5.670 1.00 1.00 H new ATOM 0 HG3 GLU A 58 87.600 11.820 -5.272 1.00 1.00 H new ATOM 877 N GLY A 59 85.154 11.211 -2.924 1.00 1.00 N ATOM 878 CA GLY A 59 83.976 12.062 -3.272 1.00 1.00 C ATOM 879 C GLY A 59 83.149 11.364 -4.354 1.00 1.00 C ATOM 880 O GLY A 59 82.516 12.001 -5.173 1.00 1.00 O ATOM 0 H GLY A 59 84.928 10.259 -2.634 1.00 1.00 H new ATOM 0 HA2 GLY A 59 83.365 12.236 -2.387 1.00 1.00 H new ATOM 0 HA3 GLY A 59 84.310 13.038 -3.626 1.00 1.00 H new ATOM 884 N CYS A 60 83.150 10.059 -4.362 1.00 1.00 N ATOM 885 CA CYS A 60 82.366 9.316 -5.388 1.00 1.00 C ATOM 886 C CYS A 60 80.963 9.919 -5.496 1.00 1.00 C ATOM 887 O CYS A 60 80.674 10.686 -6.394 1.00 1.00 O ATOM 888 CB CYS A 60 82.261 7.844 -4.977 1.00 1.00 C ATOM 889 SG CYS A 60 82.269 7.723 -3.171 1.00 1.00 S ATOM 0 H CYS A 60 83.661 9.474 -3.701 1.00 1.00 H new ATOM 0 HA CYS A 60 82.866 9.390 -6.354 1.00 1.00 H new ATOM 0 HB2 CYS A 60 81.346 7.407 -5.378 1.00 1.00 H new ATOM 0 HB3 CYS A 60 83.094 7.278 -5.394 1.00 1.00 H new ATOM 0 HG CYS A 60 83.488 7.836 -2.734 1.00 1.00 H new ATOM 894 N GLY A 61 80.090 9.577 -4.588 1.00 1.00 N ATOM 895 CA GLY A 61 78.703 10.126 -4.633 1.00 1.00 C ATOM 896 C GLY A 61 77.762 9.087 -5.246 1.00 1.00 C ATOM 897 O GLY A 61 77.448 8.087 -4.632 1.00 1.00 O ATOM 0 H GLY A 61 80.277 8.939 -3.814 1.00 1.00 H new ATOM 0 HA2 GLY A 61 78.370 10.385 -3.628 1.00 1.00 H new ATOM 0 HA3 GLY A 61 78.682 11.043 -5.222 1.00 1.00 H new ATOM 901 N THR A 62 77.314 9.319 -6.455 1.00 1.00 N ATOM 902 CA THR A 62 76.390 8.354 -7.128 1.00 1.00 C ATOM 903 C THR A 62 75.476 7.687 -6.096 1.00 1.00 C ATOM 904 O THR A 62 75.277 6.488 -6.110 1.00 1.00 O ATOM 905 CB THR A 62 77.206 7.284 -7.866 1.00 1.00 C ATOM 906 OG1 THR A 62 76.321 6.333 -8.441 1.00 1.00 O ATOM 907 CG2 THR A 62 78.153 6.576 -6.893 1.00 1.00 C ATOM 0 H THR A 62 77.551 10.142 -7.009 1.00 1.00 H new ATOM 0 HA THR A 62 75.774 8.898 -7.845 1.00 1.00 H new ATOM 0 HB THR A 62 77.796 7.762 -8.648 1.00 1.00 H new ATOM 0 HG1 THR A 62 75.804 5.897 -7.732 1.00 1.00 H new ATOM 0 HG21 THR A 62 78.726 5.819 -7.429 1.00 1.00 H new ATOM 0 HG22 THR A 62 78.835 7.304 -6.454 1.00 1.00 H new ATOM 0 HG23 THR A 62 77.573 6.100 -6.103 1.00 1.00 H new ATOM 915 N ASP A 63 74.919 8.455 -5.200 1.00 1.00 N ATOM 916 CA ASP A 63 74.019 7.866 -4.167 1.00 1.00 C ATOM 917 C ASP A 63 72.774 7.285 -4.841 1.00 1.00 C ATOM 918 O ASP A 63 71.843 6.862 -4.184 1.00 1.00 O ATOM 919 CB ASP A 63 73.601 8.956 -3.177 1.00 1.00 C ATOM 920 CG ASP A 63 73.154 10.201 -3.946 1.00 1.00 C ATOM 921 OD1 ASP A 63 74.013 10.883 -4.480 1.00 1.00 O ATOM 922 OD2 ASP A 63 71.961 10.451 -3.987 1.00 1.00 O ATOM 0 H ASP A 63 75.048 9.465 -5.138 1.00 1.00 H new ATOM 0 HA ASP A 63 74.546 7.073 -3.637 1.00 1.00 H new ATOM 0 HB2 ASP A 63 72.790 8.596 -2.544 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.434 9.202 -2.518 1.00 1.00 H new ATOM 927 N ILE A 64 72.747 7.262 -6.149 1.00 1.00 N ATOM 928 CA ILE A 64 71.560 6.712 -6.869 1.00 1.00 C ATOM 929 C ILE A 64 72.032 5.808 -8.009 1.00 1.00 C ATOM 930 O ILE A 64 71.339 4.897 -8.420 1.00 1.00 O ATOM 931 CB ILE A 64 70.745 7.868 -7.459 1.00 1.00 C ATOM 932 CG1 ILE A 64 70.067 8.661 -6.329 1.00 1.00 C ATOM 933 CG2 ILE A 64 69.686 7.315 -8.418 1.00 1.00 C ATOM 934 CD1 ILE A 64 68.728 8.016 -5.959 1.00 1.00 C ATOM 0 H ILE A 64 73.498 7.601 -6.750 1.00 1.00 H new ATOM 0 HA ILE A 64 70.946 6.141 -6.173 1.00 1.00 H new ATOM 0 HB ILE A 64 71.412 8.534 -8.007 1.00 1.00 H new ATOM 0 HG12 ILE A 64 70.718 8.692 -5.455 1.00 1.00 H new ATOM 0 HG13 ILE A 64 69.907 9.692 -6.644 1.00 1.00 H new ATOM 0 HG21 ILE A 64 69.108 8.139 -8.836 1.00 1.00 H new ATOM 0 HG22 ILE A 64 70.175 6.769 -9.225 1.00 1.00 H new ATOM 0 HG23 ILE A 64 69.020 6.643 -7.877 1.00 1.00 H new ATOM 0 HD11 ILE A 64 68.258 8.587 -5.158 1.00 1.00 H new ATOM 0 HD12 ILE A 64 68.074 8.009 -6.831 1.00 1.00 H new ATOM 0 HD13 ILE A 64 68.897 6.993 -5.624 1.00 1.00 H new ATOM 946 N THR A 65 73.200 6.065 -8.530 1.00 1.00 N ATOM 947 CA THR A 65 73.725 5.241 -9.658 1.00 1.00 C ATOM 948 C THR A 65 72.590 4.929 -10.631 1.00 1.00 C ATOM 949 O THR A 65 72.570 3.898 -11.270 1.00 1.00 O ATOM 950 CB THR A 65 74.309 3.932 -9.123 1.00 1.00 C ATOM 951 OG1 THR A 65 75.335 4.220 -8.183 1.00 1.00 O ATOM 952 CG2 THR A 65 74.889 3.117 -10.283 1.00 1.00 C ATOM 0 H THR A 65 73.818 6.815 -8.221 1.00 1.00 H new ATOM 0 HA THR A 65 74.508 5.798 -10.172 1.00 1.00 H new ATOM 0 HB THR A 65 73.522 3.356 -8.636 1.00 1.00 H new ATOM 0 HG1 THR A 65 76.062 4.701 -8.630 1.00 1.00 H new ATOM 0 HG21 THR A 65 75.305 2.185 -9.901 1.00 1.00 H new ATOM 0 HG22 THR A 65 74.100 2.895 -11.002 1.00 1.00 H new ATOM 0 HG23 THR A 65 75.675 3.691 -10.773 1.00 1.00 H new ATOM 960 N VAL A 66 71.643 5.818 -10.732 1.00 1.00 N ATOM 961 CA VAL A 66 70.483 5.602 -11.646 1.00 1.00 C ATOM 962 C VAL A 66 69.653 4.419 -11.145 1.00 1.00 C ATOM 963 O VAL A 66 68.438 4.460 -11.147 1.00 1.00 O ATOM 964 CB VAL A 66 70.977 5.323 -13.069 1.00 1.00 C ATOM 965 CG1 VAL A 66 69.781 5.286 -14.022 1.00 1.00 C ATOM 966 CG2 VAL A 66 71.935 6.434 -13.500 1.00 1.00 C ATOM 0 H VAL A 66 71.621 6.697 -10.214 1.00 1.00 H new ATOM 0 HA VAL A 66 69.866 6.500 -11.658 1.00 1.00 H new ATOM 0 HB VAL A 66 71.495 4.364 -13.095 1.00 1.00 H new ATOM 0 HG11 VAL A 66 70.129 5.088 -15.036 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.094 4.498 -13.714 1.00 1.00 H new ATOM 0 HG13 VAL A 66 69.266 6.246 -13.997 1.00 1.00 H new ATOM 0 HG21 VAL A 66 72.288 6.238 -14.512 1.00 1.00 H new ATOM 0 HG22 VAL A 66 71.415 7.392 -13.476 1.00 1.00 H new ATOM 0 HG23 VAL A 66 72.786 6.466 -12.819 1.00 1.00 H new ATOM 976 N ILE A 67 70.296 3.366 -10.713 1.00 1.00 N ATOM 977 CA ILE A 67 69.543 2.180 -10.208 1.00 1.00 C ATOM 978 C ILE A 67 70.181 1.675 -8.910 1.00 1.00 C ATOM 979 O ILE A 67 71.163 0.960 -8.930 1.00 1.00 O ATOM 980 CB ILE A 67 69.573 1.066 -11.258 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.468 1.681 -12.658 1.00 1.00 C ATOM 982 CG2 ILE A 67 68.396 0.110 -11.027 1.00 1.00 C ATOM 983 CD1 ILE A 67 69.395 0.566 -13.702 1.00 1.00 C ATOM 0 H ILE A 67 71.312 3.276 -10.688 1.00 1.00 H new ATOM 0 HA ILE A 67 68.510 2.469 -10.014 1.00 1.00 H new ATOM 0 HB ILE A 67 70.509 0.513 -11.174 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.582 2.313 -12.723 1.00 1.00 H new ATOM 0 HG13 ILE A 67 70.330 2.319 -12.852 1.00 1.00 H new ATOM 0 HG21 ILE A 67 68.419 -0.682 -11.775 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.473 -0.328 -10.032 1.00 1.00 H new ATOM 0 HG23 ILE A 67 67.459 0.660 -11.110 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.320 1.004 -14.697 1.00 1.00 H new ATOM 0 HD12 ILE A 67 70.294 -0.048 -13.642 1.00 1.00 H new ATOM 0 HD13 ILE A 67 68.519 -0.054 -13.512 1.00 1.00 H new ATOM 995 N CYS A 68 69.621 2.032 -7.785 1.00 1.00 N ATOM 996 CA CYS A 68 70.177 1.568 -6.480 1.00 1.00 C ATOM 997 C CYS A 68 69.074 0.837 -5.705 1.00 1.00 C ATOM 998 O CYS A 68 67.905 1.074 -5.920 1.00 1.00 O ATOM 999 CB CYS A 68 70.664 2.780 -5.676 1.00 1.00 C ATOM 1000 SG CYS A 68 72.233 3.384 -6.361 1.00 1.00 S ATOM 0 H CYS A 68 68.797 2.629 -7.713 1.00 1.00 H new ATOM 0 HA CYS A 68 71.015 0.892 -6.648 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.915 3.572 -5.705 1.00 1.00 H new ATOM 0 HB3 CYS A 68 70.796 2.504 -4.630 1.00 1.00 H new ATOM 0 HG CYS A 68 72.074 3.675 -7.618 1.00 1.00 H new ATOM 1005 N PRO A 69 69.437 -0.059 -4.815 1.00 1.00 N ATOM 1006 CA PRO A 69 68.480 -0.852 -4.003 1.00 1.00 C ATOM 1007 C PRO A 69 67.113 -0.180 -3.823 1.00 1.00 C ATOM 1008 O PRO A 69 66.089 -0.772 -4.100 1.00 1.00 O ATOM 1009 CB PRO A 69 69.220 -0.977 -2.675 1.00 1.00 C ATOM 1010 CG PRO A 69 70.677 -1.027 -3.048 1.00 1.00 C ATOM 1011 CD PRO A 69 70.810 -0.429 -4.463 1.00 1.00 C ATOM 0 HA PRO A 69 68.226 -1.802 -4.473 1.00 1.00 H new ATOM 0 HB2 PRO A 69 69.008 -0.130 -2.023 1.00 1.00 H new ATOM 0 HB3 PRO A 69 68.918 -1.876 -2.138 1.00 1.00 H new ATOM 0 HG2 PRO A 69 71.276 -0.461 -2.334 1.00 1.00 H new ATOM 0 HG3 PRO A 69 71.043 -2.053 -3.029 1.00 1.00 H new ATOM 0 HD2 PRO A 69 71.472 0.437 -4.471 1.00 1.00 H new ATOM 0 HD3 PRO A 69 71.222 -1.153 -5.166 1.00 1.00 H new ATOM 1019 N TRP A 70 67.074 1.044 -3.370 1.00 1.00 N ATOM 1020 CA TRP A 70 65.751 1.712 -3.192 1.00 1.00 C ATOM 1021 C TRP A 70 65.033 1.761 -4.544 1.00 1.00 C ATOM 1022 O TRP A 70 63.938 2.275 -4.662 1.00 1.00 O ATOM 1023 CB TRP A 70 65.947 3.138 -2.650 1.00 1.00 C ATOM 1024 CG TRP A 70 67.344 3.600 -2.915 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.708 4.449 -3.903 1.00 1.00 C ATOM 1026 CD2 TRP A 70 68.566 3.261 -2.196 1.00 1.00 C ATOM 1027 NE1 TRP A 70 69.075 4.652 -3.837 1.00 1.00 N ATOM 1028 CE2 TRP A 70 69.648 3.941 -2.802 1.00 1.00 C ATOM 1029 CE3 TRP A 70 68.836 2.438 -1.088 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 70.954 3.808 -2.327 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 70.149 2.302 -0.607 1.00 1.00 C ATOM 1032 CH2 TRP A 70 71.205 2.986 -1.225 1.00 1.00 C ATOM 0 H TRP A 70 67.888 1.605 -3.118 1.00 1.00 H new ATOM 0 HA TRP A 70 65.151 1.149 -2.477 1.00 1.00 H new ATOM 0 HB2 TRP A 70 65.236 3.816 -3.122 1.00 1.00 H new ATOM 0 HB3 TRP A 70 65.745 3.159 -1.579 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.041 4.895 -4.625 1.00 1.00 H new ATOM 0 HE1 TRP A 70 69.596 5.254 -4.475 1.00 1.00 H new ATOM 0 HE3 TRP A 70 68.029 1.907 -0.604 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 71.764 4.336 -2.807 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 70.346 1.667 0.244 1.00 1.00 H new ATOM 0 HH2 TRP A 70 72.212 2.878 -0.850 1.00 1.00 H new ATOM 1043 N GLU A 71 65.646 1.223 -5.563 1.00 1.00 N ATOM 1044 CA GLU A 71 65.023 1.220 -6.915 1.00 1.00 C ATOM 1045 C GLU A 71 65.412 -0.077 -7.630 1.00 1.00 C ATOM 1046 O GLU A 71 64.682 -0.591 -8.454 1.00 1.00 O ATOM 1047 CB GLU A 71 65.544 2.415 -7.722 1.00 1.00 C ATOM 1048 CG GLU A 71 64.933 3.713 -7.189 1.00 1.00 C ATOM 1049 CD GLU A 71 63.452 3.776 -7.566 1.00 1.00 C ATOM 1050 OE1 GLU A 71 63.160 3.742 -8.750 1.00 1.00 O ATOM 1051 OE2 GLU A 71 62.634 3.857 -6.664 1.00 1.00 O ATOM 0 H GLU A 71 66.564 0.780 -5.514 1.00 1.00 H new ATOM 0 HA GLU A 71 63.939 1.290 -6.824 1.00 1.00 H new ATOM 0 HB2 GLU A 71 66.631 2.462 -7.657 1.00 1.00 H new ATOM 0 HB3 GLU A 71 65.292 2.291 -8.775 1.00 1.00 H new ATOM 0 HG2 GLU A 71 65.045 3.762 -6.106 1.00 1.00 H new ATOM 0 HG3 GLU A 71 65.461 4.572 -7.603 1.00 1.00 H new ATOM 1058 N ALA A 72 66.568 -0.603 -7.320 1.00 1.00 N ATOM 1059 CA ALA A 72 67.027 -1.862 -7.976 1.00 1.00 C ATOM 1060 C ALA A 72 66.313 -3.068 -7.360 1.00 1.00 C ATOM 1061 O ALA A 72 65.224 -3.430 -7.758 1.00 1.00 O ATOM 1062 CB ALA A 72 68.536 -2.018 -7.777 1.00 1.00 C ATOM 0 H ALA A 72 67.217 -0.212 -6.637 1.00 1.00 H new ATOM 0 HA ALA A 72 66.795 -1.812 -9.040 1.00 1.00 H new ATOM 0 HB1 ALA A 72 68.873 -2.937 -8.256 1.00 1.00 H new ATOM 0 HB2 ALA A 72 69.052 -1.167 -8.222 1.00 1.00 H new ATOM 0 HB3 ALA A 72 68.760 -2.061 -6.711 1.00 1.00 H new ATOM 1068 N CYS A 73 66.930 -3.700 -6.397 1.00 1.00 N ATOM 1069 CA CYS A 73 66.300 -4.892 -5.761 1.00 1.00 C ATOM 1070 C CYS A 73 65.257 -4.439 -4.738 1.00 1.00 C ATOM 1071 O CYS A 73 64.284 -5.122 -4.488 1.00 1.00 O ATOM 1072 CB CYS A 73 67.375 -5.723 -5.056 1.00 1.00 C ATOM 1073 SG CYS A 73 68.764 -6.000 -6.185 1.00 1.00 S ATOM 0 H CYS A 73 67.843 -3.442 -6.024 1.00 1.00 H new ATOM 0 HA CYS A 73 65.816 -5.496 -6.529 1.00 1.00 H new ATOM 0 HB2 CYS A 73 67.719 -5.207 -4.160 1.00 1.00 H new ATOM 0 HB3 CYS A 73 66.959 -6.678 -4.734 1.00 1.00 H new ATOM 0 HG CYS A 73 69.883 -5.893 -5.531 1.00 1.00 H new ATOM 1078 N ASN A 74 65.455 -3.293 -4.141 1.00 1.00 N ATOM 1079 CA ASN A 74 64.479 -2.795 -3.128 1.00 1.00 C ATOM 1080 C ASN A 74 64.056 -3.947 -2.213 1.00 1.00 C ATOM 1081 O ASN A 74 62.986 -3.937 -1.637 1.00 1.00 O ATOM 1082 CB ASN A 74 63.250 -2.214 -3.837 1.00 1.00 C ATOM 1083 CG ASN A 74 62.438 -3.342 -4.477 1.00 1.00 C ATOM 1084 OD1 ASN A 74 62.711 -3.713 -5.698 1.00 1.00 O flip ATOM 1085 ND2 ASN A 74 61.547 -3.891 -3.860 1.00 1.00 N flip ATOM 0 H ASN A 74 66.252 -2.680 -4.312 1.00 1.00 H new ATOM 0 HA ASN A 74 64.947 -2.014 -2.528 1.00 1.00 H new ATOM 0 HB2 ASN A 74 62.632 -1.668 -3.124 1.00 1.00 H new ATOM 0 HB3 ASN A 74 63.562 -1.501 -4.600 1.00 1.00 H new ATOM 0 HD21 ASN A 74 61.334 -3.601 -2.906 1.00 1.00 H new ATOM 0 HD22 ASN A 74 61.012 -4.642 -4.296 1.00 1.00 H new ATOM 1092 N HIS A 75 64.893 -4.940 -2.076 1.00 1.00 N ATOM 1093 CA HIS A 75 64.548 -6.094 -1.199 1.00 1.00 C ATOM 1094 C HIS A 75 65.828 -6.846 -0.826 1.00 1.00 C ATOM 1095 O HIS A 75 65.799 -8.013 -0.489 1.00 1.00 O ATOM 1096 CB HIS A 75 63.599 -7.037 -1.944 1.00 1.00 C ATOM 1097 CG HIS A 75 63.247 -8.199 -1.056 1.00 1.00 C ATOM 1098 ND1 HIS A 75 63.699 -9.486 -1.309 1.00 1.00 N ATOM 1099 CD2 HIS A 75 62.487 -8.285 0.085 1.00 1.00 C ATOM 1100 CE1 HIS A 75 63.213 -10.285 -0.340 1.00 1.00 C ATOM 1101 NE2 HIS A 75 62.470 -9.601 0.532 1.00 1.00 N ATOM 0 H HIS A 75 65.802 -5.001 -2.535 1.00 1.00 H new ATOM 0 HA HIS A 75 64.060 -5.732 -0.294 1.00 1.00 H new ATOM 0 HB2 HIS A 75 62.695 -6.503 -2.238 1.00 1.00 H new ATOM 0 HB3 HIS A 75 64.070 -7.395 -2.860 1.00 1.00 H new ATOM 0 HD2 HIS A 75 61.981 -7.458 0.561 1.00 1.00 H new ATOM 0 HE1 HIS A 75 63.401 -11.347 -0.277 1.00 1.00 H new ATOM 0 HE2 HIS A 75 61.990 -9.967 1.354 1.00 1.00 H new ATOM 1110 N CYS A 76 66.953 -6.185 -0.881 1.00 1.00 N ATOM 1111 CA CYS A 76 68.233 -6.859 -0.526 1.00 1.00 C ATOM 1112 C CYS A 76 68.255 -7.141 0.977 1.00 1.00 C ATOM 1113 O CYS A 76 68.568 -6.283 1.777 1.00 1.00 O ATOM 1114 CB CYS A 76 69.411 -5.954 -0.900 1.00 1.00 C ATOM 1115 SG CYS A 76 68.992 -4.229 -0.521 1.00 1.00 S ATOM 0 H CYS A 76 67.040 -5.207 -1.157 1.00 1.00 H new ATOM 0 HA CYS A 76 68.316 -7.798 -1.073 1.00 1.00 H new ATOM 0 HB2 CYS A 76 70.302 -6.253 -0.348 1.00 1.00 H new ATOM 0 HB3 CYS A 76 69.642 -6.059 -1.960 1.00 1.00 H new ATOM 0 HG CYS A 76 70.074 -3.576 -0.218 1.00 1.00 H new ATOM 1120 N GLU A 77 67.914 -8.336 1.366 1.00 1.00 N ATOM 1121 CA GLU A 77 67.909 -8.676 2.817 1.00 1.00 C ATOM 1122 C GLU A 77 69.314 -8.467 3.390 1.00 1.00 C ATOM 1123 O GLU A 77 70.259 -8.223 2.666 1.00 1.00 O ATOM 1124 CB GLU A 77 67.486 -10.140 2.995 1.00 1.00 C ATOM 1125 CG GLU A 77 66.728 -10.304 4.316 1.00 1.00 C ATOM 1126 CD GLU A 77 66.576 -11.792 4.636 1.00 1.00 C ATOM 1127 OE1 GLU A 77 67.505 -12.357 5.188 1.00 1.00 O ATOM 1128 OE2 GLU A 77 65.532 -12.341 4.323 1.00 1.00 O ATOM 0 H GLU A 77 67.638 -9.094 0.742 1.00 1.00 H new ATOM 0 HA GLU A 77 67.205 -8.032 3.345 1.00 1.00 H new ATOM 0 HB2 GLU A 77 66.855 -10.450 2.162 1.00 1.00 H new ATOM 0 HB3 GLU A 77 68.364 -10.786 2.986 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.265 -9.801 5.120 1.00 1.00 H new ATOM 0 HG3 GLU A 77 65.747 -9.834 4.245 1.00 1.00 H new ATOM 1135 N LEU A 78 69.459 -8.560 4.683 1.00 1.00 N ATOM 1136 CA LEU A 78 70.803 -8.364 5.298 1.00 1.00 C ATOM 1137 C LEU A 78 70.851 -9.070 6.655 1.00 1.00 C ATOM 1138 O LEU A 78 71.730 -8.831 7.459 1.00 1.00 O ATOM 1139 CB LEU A 78 71.070 -6.867 5.484 1.00 1.00 C ATOM 1140 CG LEU A 78 69.876 -6.199 6.182 1.00 1.00 C ATOM 1141 CD1 LEU A 78 69.863 -6.555 7.677 1.00 1.00 C ATOM 1142 CD2 LEU A 78 69.985 -4.680 6.022 1.00 1.00 C ATOM 0 H LEU A 78 68.706 -8.763 5.340 1.00 1.00 H new ATOM 0 HA LEU A 78 71.567 -8.786 4.644 1.00 1.00 H new ATOM 0 HB2 LEU A 78 71.974 -6.722 6.075 1.00 1.00 H new ATOM 0 HB3 LEU A 78 71.244 -6.398 4.516 1.00 1.00 H new ATOM 0 HG LEU A 78 68.952 -6.557 5.727 1.00 1.00 H new ATOM 0 HD11 LEU A 78 69.011 -6.074 8.158 1.00 1.00 H new ATOM 0 HD12 LEU A 78 69.783 -7.636 7.793 1.00 1.00 H new ATOM 0 HD13 LEU A 78 70.786 -6.208 8.142 1.00 1.00 H new ATOM 0 HD21 LEU A 78 69.140 -4.201 6.516 1.00 1.00 H new ATOM 0 HD22 LEU A 78 70.914 -4.332 6.474 1.00 1.00 H new ATOM 0 HD23 LEU A 78 69.979 -4.424 4.962 1.00 1.00 H new ATOM 1154 N HIS A 79 69.911 -9.938 6.915 1.00 1.00 N ATOM 1155 CA HIS A 79 69.897 -10.662 8.219 1.00 1.00 C ATOM 1156 C HIS A 79 70.599 -12.015 8.057 1.00 1.00 C ATOM 1157 O HIS A 79 70.304 -12.967 8.752 1.00 1.00 O ATOM 1158 CB HIS A 79 68.440 -10.877 8.661 1.00 1.00 C ATOM 1159 CG HIS A 79 68.077 -9.875 9.725 1.00 1.00 C ATOM 1160 ND1 HIS A 79 67.783 -8.552 9.426 1.00 1.00 N ATOM 1161 CD2 HIS A 79 67.959 -9.988 11.088 1.00 1.00 C ATOM 1162 CE1 HIS A 79 67.504 -7.927 10.586 1.00 1.00 C ATOM 1163 NE2 HIS A 79 67.598 -8.758 11.626 1.00 1.00 N ATOM 0 H HIS A 79 69.150 -10.178 6.279 1.00 1.00 H new ATOM 0 HA HIS A 79 70.421 -10.076 8.974 1.00 1.00 H new ATOM 0 HB2 HIS A 79 67.772 -10.772 7.806 1.00 1.00 H new ATOM 0 HB3 HIS A 79 68.312 -11.890 9.043 1.00 1.00 H new ATOM 0 HD2 HIS A 79 68.122 -10.893 11.655 1.00 1.00 H new ATOM 0 HE1 HIS A 79 67.237 -6.883 10.665 1.00 1.00 H new ATOM 0 HE2 HIS A 79 67.439 -8.537 12.609 1.00 1.00 H new ATOM 1172 N GLU A 80 71.530 -12.109 7.146 1.00 1.00 N ATOM 1173 CA GLU A 80 72.249 -13.400 6.946 1.00 1.00 C ATOM 1174 C GLU A 80 73.680 -13.123 6.483 1.00 1.00 C ATOM 1175 O GLU A 80 74.624 -13.716 6.967 1.00 1.00 O ATOM 1176 CB GLU A 80 71.524 -14.231 5.886 1.00 1.00 C ATOM 1177 CG GLU A 80 72.057 -15.665 5.913 1.00 1.00 C ATOM 1178 CD GLU A 80 71.283 -16.517 4.905 1.00 1.00 C ATOM 1179 OE1 GLU A 80 70.070 -16.400 4.869 1.00 1.00 O ATOM 1180 OE2 GLU A 80 71.918 -17.273 4.188 1.00 1.00 O ATOM 0 H GLU A 80 71.823 -11.349 6.533 1.00 1.00 H new ATOM 0 HA GLU A 80 72.271 -13.950 7.887 1.00 1.00 H new ATOM 0 HB2 GLU A 80 70.451 -14.227 6.076 1.00 1.00 H new ATOM 0 HB3 GLU A 80 71.675 -13.794 4.899 1.00 1.00 H new ATOM 0 HG2 GLU A 80 73.120 -15.674 5.672 1.00 1.00 H new ATOM 0 HG3 GLU A 80 71.954 -16.084 6.914 1.00 1.00 H new ATOM 1187 N LEU A 81 73.851 -12.223 5.553 1.00 1.00 N ATOM 1188 CA LEU A 81 75.223 -11.910 5.068 1.00 1.00 C ATOM 1189 C LEU A 81 75.889 -10.941 6.047 1.00 1.00 C ATOM 1190 O LEU A 81 76.786 -10.202 5.691 1.00 1.00 O ATOM 1191 CB LEU A 81 75.151 -11.273 3.674 1.00 1.00 C ATOM 1192 CG LEU A 81 73.939 -10.331 3.588 1.00 1.00 C ATOM 1193 CD1 LEU A 81 74.280 -9.134 2.697 1.00 1.00 C ATOM 1194 CD2 LEU A 81 72.743 -11.079 2.987 1.00 1.00 C ATOM 0 H LEU A 81 73.101 -11.693 5.110 1.00 1.00 H new ATOM 0 HA LEU A 81 75.807 -12.828 5.005 1.00 1.00 H new ATOM 0 HB2 LEU A 81 76.068 -10.719 3.470 1.00 1.00 H new ATOM 0 HB3 LEU A 81 75.073 -12.050 2.914 1.00 1.00 H new ATOM 0 HG LEU A 81 73.687 -9.983 4.590 1.00 1.00 H new ATOM 0 HD11 LEU A 81 73.419 -8.468 2.638 1.00 1.00 H new ATOM 0 HD12 LEU A 81 75.128 -8.595 3.120 1.00 1.00 H new ATOM 0 HD13 LEU A 81 74.536 -9.486 1.698 1.00 1.00 H new ATOM 0 HD21 LEU A 81 71.886 -10.408 2.928 1.00 1.00 H new ATOM 0 HD22 LEU A 81 72.999 -11.430 1.987 1.00 1.00 H new ATOM 0 HD23 LEU A 81 72.493 -11.932 3.618 1.00 1.00 H new ATOM 1206 N ALA A 82 75.459 -10.943 7.279 1.00 1.00 N ATOM 1207 CA ALA A 82 76.070 -10.027 8.282 1.00 1.00 C ATOM 1208 C ALA A 82 77.513 -10.457 8.537 1.00 1.00 C ATOM 1209 O ALA A 82 78.166 -10.994 7.663 1.00 1.00 O ATOM 1210 CB ALA A 82 75.278 -10.094 9.589 1.00 1.00 C ATOM 0 H ALA A 82 74.711 -11.539 7.634 1.00 1.00 H new ATOM 0 HA ALA A 82 76.052 -9.005 7.904 1.00 1.00 H new ATOM 0 HB1 ALA A 82 75.727 -9.423 10.321 1.00 1.00 H new ATOM 0 HB2 ALA A 82 74.247 -9.793 9.405 1.00 1.00 H new ATOM 0 HB3 ALA A 82 75.295 -11.114 9.973 1.00 1.00 H new ATOM 1216 N GLN A 83 78.019 -10.222 9.724 1.00 1.00 N ATOM 1217 CA GLN A 83 79.428 -10.612 10.037 1.00 1.00 C ATOM 1218 C GLN A 83 80.273 -10.479 8.770 1.00 1.00 C ATOM 1219 O GLN A 83 80.705 -11.456 8.189 1.00 1.00 O ATOM 1220 CB GLN A 83 79.475 -12.058 10.558 1.00 1.00 C ATOM 1221 CG GLN A 83 78.357 -12.889 9.921 1.00 1.00 C ATOM 1222 CD GLN A 83 78.386 -14.304 10.499 1.00 1.00 C ATOM 1223 OE1 GLN A 83 77.727 -14.584 11.481 1.00 1.00 O ATOM 1224 NE2 GLN A 83 79.128 -15.216 9.931 1.00 1.00 N ATOM 0 H GLN A 83 77.515 -9.776 10.490 1.00 1.00 H new ATOM 0 HA GLN A 83 79.826 -9.956 10.811 1.00 1.00 H new ATOM 0 HB2 GLN A 83 80.443 -12.503 10.329 1.00 1.00 H new ATOM 0 HB3 GLN A 83 79.369 -12.065 11.643 1.00 1.00 H new ATOM 0 HG2 GLN A 83 77.389 -12.425 10.113 1.00 1.00 H new ATOM 0 HG3 GLN A 83 78.485 -12.923 8.839 1.00 1.00 H new ATOM 0 HE21 GLN A 83 79.682 -14.982 9.107 1.00 1.00 H new ATOM 0 HE22 GLN A 83 79.154 -16.162 10.312 1.00 1.00 H new ATOM 1233 N TYR A 84 80.492 -9.271 8.331 1.00 1.00 N ATOM 1234 CA TYR A 84 81.288 -9.052 7.092 1.00 1.00 C ATOM 1235 C TYR A 84 82.035 -7.723 7.202 1.00 1.00 C ATOM 1236 O TYR A 84 83.208 -7.631 6.902 1.00 1.00 O ATOM 1237 CB TYR A 84 80.338 -9.010 5.892 1.00 1.00 C ATOM 1238 CG TYR A 84 81.131 -8.796 4.626 1.00 1.00 C ATOM 1239 CD1 TYR A 84 81.965 -9.812 4.146 1.00 1.00 C ATOM 1240 CD2 TYR A 84 81.036 -7.582 3.935 1.00 1.00 C ATOM 1241 CE1 TYR A 84 82.705 -9.614 2.974 1.00 1.00 C ATOM 1242 CE2 TYR A 84 81.776 -7.384 2.763 1.00 1.00 C ATOM 1243 CZ TYR A 84 82.610 -8.401 2.283 1.00 1.00 C ATOM 1244 OH TYR A 84 83.342 -8.205 1.130 1.00 1.00 O ATOM 0 H TYR A 84 80.151 -8.421 8.780 1.00 1.00 H new ATOM 0 HA TYR A 84 82.007 -9.861 6.962 1.00 1.00 H new ATOM 0 HB2 TYR A 84 79.776 -9.942 5.828 1.00 1.00 H new ATOM 0 HB3 TYR A 84 79.612 -8.207 6.018 1.00 1.00 H new ATOM 0 HD1 TYR A 84 82.038 -10.748 4.679 1.00 1.00 H new ATOM 0 HD2 TYR A 84 80.392 -6.798 4.306 1.00 1.00 H new ATOM 0 HE1 TYR A 84 83.349 -10.398 2.603 1.00 1.00 H new ATOM 0 HE2 TYR A 84 81.704 -6.448 2.230 1.00 1.00 H new ATOM 0 HH TYR A 84 83.653 -7.276 1.094 1.00 1.00 H new ATOM 1254 N GLY A 85 81.360 -6.691 7.635 1.00 1.00 N ATOM 1255 CA GLY A 85 82.022 -5.361 7.771 1.00 1.00 C ATOM 1256 C GLY A 85 81.092 -4.271 7.239 1.00 1.00 C ATOM 1257 O GLY A 85 81.450 -3.511 6.362 1.00 1.00 O ATOM 0 H GLY A 85 80.376 -6.712 7.901 1.00 1.00 H new ATOM 0 HA2 GLY A 85 82.264 -5.169 8.816 1.00 1.00 H new ATOM 0 HA3 GLY A 85 82.962 -5.353 7.219 1.00 1.00 H new ATOM 1261 N ILE A 86 79.899 -4.187 7.765 1.00 1.00 N ATOM 1262 CA ILE A 86 78.945 -3.144 7.293 1.00 1.00 C ATOM 1263 C ILE A 86 79.059 -1.913 8.204 1.00 1.00 C ATOM 1264 O ILE A 86 80.127 -1.357 8.373 1.00 1.00 O ATOM 1265 CB ILE A 86 77.509 -3.705 7.313 1.00 1.00 C ATOM 1266 CG1 ILE A 86 77.325 -4.692 8.477 1.00 1.00 C ATOM 1267 CG2 ILE A 86 77.236 -4.446 6.001 1.00 1.00 C ATOM 1268 CD1 ILE A 86 77.482 -3.973 9.820 1.00 1.00 C ATOM 0 H ILE A 86 79.545 -4.797 8.502 1.00 1.00 H new ATOM 0 HA ILE A 86 79.185 -2.854 6.270 1.00 1.00 H new ATOM 0 HB ILE A 86 76.817 -2.872 7.436 1.00 1.00 H new ATOM 0 HG12 ILE A 86 76.339 -5.153 8.418 1.00 1.00 H new ATOM 0 HG13 ILE A 86 78.058 -5.495 8.400 1.00 1.00 H new ATOM 0 HG21 ILE A 86 76.221 -4.844 6.012 1.00 1.00 H new ATOM 0 HG22 ILE A 86 77.346 -3.757 5.164 1.00 1.00 H new ATOM 0 HG23 ILE A 86 77.946 -5.266 5.892 1.00 1.00 H new ATOM 0 HD11 ILE A 86 77.349 -4.687 10.633 1.00 1.00 H new ATOM 0 HD12 ILE A 86 78.477 -3.533 9.883 1.00 1.00 H new ATOM 0 HD13 ILE A 86 76.732 -3.186 9.901 1.00 1.00 H new ATOM 1280 N CYS A 87 77.979 -1.487 8.798 1.00 1.00 N ATOM 1281 CA CYS A 87 78.042 -0.302 9.698 1.00 1.00 C ATOM 1282 C CYS A 87 78.572 -0.732 11.068 1.00 1.00 C ATOM 1283 CB CYS A 87 76.641 0.295 9.853 1.00 1.00 C ATOM 1284 SG CYS A 87 76.386 1.571 8.593 1.00 1.00 S ATOM 0 H CYS A 87 77.055 -1.908 8.699 1.00 1.00 H new ATOM 0 HA CYS A 87 78.709 0.447 9.270 1.00 1.00 H new ATOM 0 HB2 CYS A 87 75.888 -0.486 9.752 1.00 1.00 H new ATOM 0 HB3 CYS A 87 76.525 0.723 10.849 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 75.155 17.460 13.496 1.00 1.00 C HETATM 1291 O1G RCY A 110 73.913 12.631 9.902 1.00 1.00 O HETATM 1292 O1H RCY A 110 75.956 12.707 13.841 1.00 1.00 O HETATM 1293 O1J RCY A 110 74.627 19.443 11.195 1.00 1.00 O HETATM 1294 C1L RCY A 110 72.830 12.394 12.045 1.00 1.00 C HETATM 1295 C1M RCY A 110 75.983 15.884 10.460 1.00 1.00 C HETATM 1296 C1P RCY A 110 73.806 13.055 11.066 1.00 1.00 C HETATM 1297 C1Q RCY A 110 74.940 13.038 13.170 1.00 1.00 C HETATM 1298 N1R RCY A 110 74.936 13.934 11.848 1.00 1.00 N HETATM 1299 C1S RCY A 110 73.782 11.990 13.189 1.00 1.00 C HETATM 1300 C1U RCY A 110 75.426 15.604 11.826 1.00 1.00 C HETATM 1301 C1V RCY A 110 72.968 16.977 12.579 1.00 1.00 C HETATM 1302 N1V RCY A 110 74.894 18.010 11.097 1.00 1.00 N HETATM 1303 C1W RCY A 110 75.658 17.314 9.929 1.00 1.00 C HETATM 1304 C1X RCY A 110 74.515 16.940 12.190 1.00 1.00 C HETATM 1305 C1Y RCY A 110 74.811 17.227 8.626 1.00 1.00 C HETATM 1306 C1Z RCY A 110 76.937 18.142 9.522 1.00 1.00 C HETATM 0 H1ZB RCY A 110 77.587 18.257 10.389 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 77.475 17.617 8.733 1.00 1.00 H new HETATM 0 H1YB RCY A 110 75.370 16.683 7.864 1.00 1.00 H new HETATM 0 H1YA RCY A 110 73.877 16.704 8.833 1.00 1.00 H new HETATM 0 H1VB RCY A 110 72.793 16.330 13.438 1.00 1.00 H new HETATM 0 H1VA RCY A 110 72.680 17.998 12.829 1.00 1.00 H new HETATM 0 H1MA RCY A 110 77.065 15.753 10.485 1.00 1.00 H new HETATM 0 H1LA RCY A 110 72.053 13.082 12.379 1.00 1.00 H new HETATM 0 H1CB RCY A 110 75.091 16.690 14.265 1.00 1.00 H new HETATM 0 H1CA RCY A 110 76.201 17.706 13.316 1.00 1.00 H new HETATM 0 H1Z RCY A 110 76.634 19.125 9.162 1.00 1.00 H new HETATM 0 H1Y RCY A 110 74.592 18.232 8.267 1.00 1.00 H new HETATM 0 H1V RCY A 110 72.372 16.629 11.735 1.00 1.00 H new HETATM 0 H1U RCY A 110 76.038 15.560 12.727 1.00 1.00 H new HETATM 0 H1S RCY A 110 74.166 10.981 13.040 1.00 1.00 H new HETATM 0 H1M RCY A 110 75.589 15.148 9.759 1.00 1.00 H new HETATM 0 H1L RCY A 110 72.326 11.533 11.606 1.00 1.00 H new HETATM 0 H1C RCY A 110 74.625 18.352 13.831 1.00 1.00 H new HETATM 1309 C1C RCY A 121 67.840 9.936 1.700 1.00 1.00 C HETATM 1310 O1G RCY A 121 66.390 6.602 -0.326 1.00 1.00 O HETATM 1311 O1H RCY A 121 63.260 5.768 1.403 1.00 1.00 O HETATM 1312 O1J RCY A 121 67.521 11.314 4.393 1.00 1.00 O HETATM 1313 C1L RCY A 121 64.087 6.897 -1.126 1.00 1.00 C HETATM 1314 C1M RCY A 121 64.288 10.020 2.624 1.00 1.00 C HETATM 1315 C1P RCY A 121 65.224 6.941 -0.125 1.00 1.00 C HETATM 1316 C1Q RCY A 121 63.294 6.895 1.009 1.00 1.00 C HETATM 1317 N1R RCY A 121 64.705 7.727 1.073 1.00 1.00 N HETATM 1318 C1S RCY A 121 62.887 7.043 -0.330 1.00 1.00 C HETATM 1319 C1U RCY A 121 65.304 9.169 1.894 1.00 1.00 C HETATM 1320 C1V RCY A 121 67.389 8.159 3.451 1.00 1.00 C HETATM 1321 N1V RCY A 121 66.481 10.613 3.647 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.955 10.982 3.702 1.00 1.00 C HETATM 1323 C1X RCY A 121 66.750 9.376 2.656 1.00 1.00 C HETATM 1324 C1Y RCY A 121 64.347 10.787 5.125 1.00 1.00 C HETATM 1325 C1Z RCY A 121 64.732 12.545 3.479 1.00 1.00 C HETATM 0 H1ZB RCY A 121 65.148 12.838 2.515 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 63.665 12.766 3.496 1.00 1.00 H new HETATM 0 H1YB RCY A 121 63.279 11.001 5.097 1.00 1.00 H new HETATM 0 H1YA RCY A 121 64.502 9.758 5.449 1.00 1.00 H new HETATM 0 H1VB RCY A 121 67.707 7.391 2.746 1.00 1.00 H new HETATM 0 H1VA RCY A 121 68.250 8.508 4.020 1.00 1.00 H new HETATM 0 H1MA RCY A 121 63.735 10.619 1.901 1.00 1.00 H new HETATM 0 H1LA RCY A 121 64.175 7.698 -1.860 1.00 1.00 H new HETATM 0 H1CB RCY A 121 67.989 9.243 0.872 1.00 1.00 H new HETATM 0 H1CA RCY A 121 67.521 10.903 1.310 1.00 1.00 H new HETATM 0 H1Z RCY A 121 65.231 13.101 4.273 1.00 1.00 H new HETATM 0 H1Y RCY A 121 64.835 11.465 5.825 1.00 1.00 H new HETATM 0 H1V RCY A 121 66.649 7.741 4.133 1.00 1.00 H new HETATM 0 H1U RCY A 121 65.587 9.443 0.878 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.565 9.371 3.119 1.00 1.00 H new HETATM 0 H1L RCY A 121 64.083 5.958 -1.679 1.00 1.00 H new HETATM 0 H1C RCY A 121 68.776 10.056 2.246 1.00 1.00 H new HETATM 1328 C1C RCY A 130 71.070 6.765 -17.916 1.00 1.00 C HETATM 1329 O1G RCY A 130 77.527 -1.057 -10.882 1.00 1.00 O HETATM 1330 O1H RCY A 130 78.404 1.368 -9.757 1.00 1.00 O HETATM 1331 O1J RCY A 130 69.552 5.210 -20.705 1.00 1.00 O HETATM 1332 C1L RCY A 130 79.015 1.307 -10.308 1.00 1.00 C HETATM 1333 C1M RCY A 130 71.630 4.759 -18.316 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.328 0.298 -10.839 1.00 1.00 C HETATM 1335 C1Q RCY A 130 77.991 1.742 -11.010 1.00 1.00 C HETATM 1336 N1R RCY A 130 75.152 1.169 -12.620 1.00 1.00 N HETATM 1337 C1S RCY A 130 79.720 2.916 -11.206 1.00 1.00 C HETATM 1338 C1U RCY A 130 72.106 2.921 -16.174 1.00 1.00 C HETATM 1339 C1V RCY A 130 69.159 5.379 -18.315 1.00 1.00 C HETATM 1340 N1V RCY A 130 70.760 5.056 -19.896 1.00 1.00 N HETATM 1341 C1W RCY A 130 72.013 5.034 -20.338 1.00 1.00 C HETATM 1342 C1X RCY A 130 70.829 5.064 -18.044 1.00 1.00 C HETATM 1343 C1Y RCY A 130 72.608 3.945 -21.306 1.00 1.00 C HETATM 1344 C1Z RCY A 130 72.207 6.243 -21.586 1.00 1.00 C HETATM 0 H1ZB RCY A 130 71.292 6.830 -21.670 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 73.037 6.901 -21.329 1.00 1.00 H new HETATM 0 H1YB RCY A 130 73.590 3.636 -20.947 1.00 1.00 H new HETATM 0 H1YA RCY A 130 71.944 3.081 -21.334 1.00 1.00 H new HETATM 0 H1VB RCY A 130 68.744 5.905 -17.456 1.00 1.00 H new HETATM 0 H1VA RCY A 130 69.045 5.995 -19.207 1.00 1.00 H new HETATM 0 H1SA RCY A 130 79.868 3.878 -10.715 1.00 1.00 H new HETATM 0 H1LA RCY A 130 78.877 1.587 -9.264 1.00 1.00 H new HETATM 0 H1CB RCY A 130 70.729 7.108 -16.939 1.00 1.00 H new HETATM 0 H1CA RCY A 130 72.130 6.992 -18.030 1.00 1.00 H new HETATM 0 H1Z RCY A 130 72.413 5.754 -22.538 1.00 1.00 H new HETATM 0 H1Y RCY A 130 72.703 4.362 -22.308 1.00 1.00 H new HETATM 0 H1V RCY A 130 68.629 4.437 -18.454 1.00 1.00 H new HETATM 0 H1U RCY A 130 72.075 2.008 -15.580 1.00 1.00 H new HETATM 0 H1S RCY A 130 80.381 2.896 -12.072 1.00 1.00 H new HETATM 0 H1L RCY A 130 79.821 0.574 -10.338 1.00 1.00 H new HETATM 0 H1C RCY A 130 70.504 7.272 -18.697 1.00 1.00 H new HETATM 1347 C1C RCY A 138 78.945 -3.181 -3.670 1.00 1.00 C HETATM 1348 O1G RCY A 138 77.567 -3.679 -8.341 1.00 1.00 O HETATM 1349 O1H RCY A 138 75.196 -7.044 -7.605 1.00 1.00 O HETATM 1350 O1J RCY A 138 76.762 -3.523 -1.537 1.00 1.00 O HETATM 1351 C1L RCY A 138 77.430 -5.949 -9.309 1.00 1.00 C HETATM 1352 C1M RCY A 138 76.831 -5.813 -4.453 1.00 1.00 C HETATM 1353 C1P RCY A 138 77.454 -4.888 -8.126 1.00 1.00 C HETATM 1354 C1Q RCY A 138 76.456 -6.841 -7.352 1.00 1.00 C HETATM 1355 N1R RCY A 138 77.007 -5.423 -6.725 1.00 1.00 N HETATM 1356 C1S RCY A 138 77.396 -7.277 -8.560 1.00 1.00 C HETATM 1357 C1U RCY A 138 77.745 -4.805 -5.248 1.00 1.00 C HETATM 1358 C1V RCY A 138 79.217 -5.564 -3.219 1.00 1.00 C HETATM 1359 N1V RCY A 138 76.853 -4.333 -2.748 1.00 1.00 N HETATM 1360 C1W RCY A 138 75.811 -5.179 -3.353 1.00 1.00 C HETATM 1361 C1X RCY A 138 78.142 -4.523 -3.700 1.00 1.00 C HETATM 1362 C1Y RCY A 138 74.690 -4.185 -3.778 1.00 1.00 C HETATM 1363 C1Z RCY A 138 75.065 -6.304 -2.448 1.00 1.00 C HETATM 0 H1ZB RCY A 138 74.484 -6.964 -3.093 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 75.810 -6.888 -1.907 1.00 1.00 H new HETATM 0 H1YB RCY A 138 75.139 -3.307 -4.242 1.00 1.00 H new HETATM 0 H1YA RCY A 138 74.024 -4.671 -4.490 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.062 -5.559 -3.907 1.00 1.00 H new HETATM 0 H1VA RCY A 138 79.561 -5.296 -2.220 1.00 1.00 H new HETATM 0 H1MA RCY A 138 76.241 -6.377 -5.176 1.00 1.00 H new HETATM 0 H1LA RCY A 138 76.558 -5.822 -9.950 1.00 1.00 H new HETATM 0 H1CB RCY A 138 79.840 -3.279 -4.285 1.00 1.00 H new HETATM 0 H1CA RCY A 138 78.323 -2.376 -4.060 1.00 1.00 H new HETATM 0 H1Z RCY A 138 74.400 -5.816 -1.736 1.00 1.00 H new HETATM 0 H1Y RCY A 138 74.122 -3.880 -2.899 1.00 1.00 H new HETATM 0 H1V RCY A 138 78.774 -6.560 -3.196 1.00 1.00 H new HETATM 0 H1U RCY A 138 78.391 -4.106 -5.779 1.00 1.00 H new HETATM 0 H1S RCY A 138 78.383 -7.603 -8.232 1.00 1.00 H new HETATM 0 H1M RCY A 138 77.478 -6.527 -3.943 1.00 1.00 H new HETATM 0 H1L RCY A 138 78.310 -5.865 -9.947 1.00 1.00 H new HETATM 0 H1C RCY A 138 79.233 -2.952 -2.644 1.00 1.00 H new HETATM 1366 C1C RCY A 150 83.651 1.022 0.993 1.00 1.00 C HETATM 1367 O1G RCY A 150 82.635 -3.838 -2.344 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.644 -2.844 2.075 1.00 1.00 O HETATM 1369 O1J RCY A 150 86.274 2.088 0.083 1.00 1.00 O HETATM 1370 C1L RCY A 150 83.918 -4.985 -0.755 1.00 1.00 C HETATM 1371 C1M RCY A 150 85.260 -0.953 -1.977 1.00 1.00 C HETATM 1372 C1P RCY A 150 83.470 -3.697 -1.419 1.00 1.00 C HETATM 1373 C1Q RCY A 150 83.868 -3.245 0.935 1.00 1.00 C HETATM 1374 N1R RCY A 150 83.590 -2.395 -0.485 1.00 1.00 N HETATM 1375 C1S RCY A 150 84.490 -4.585 0.598 1.00 1.00 C HETATM 1376 C1U RCY A 150 84.007 -0.814 -1.139 1.00 1.00 C HETATM 1377 C1V RCY A 150 83.404 1.593 -1.328 1.00 1.00 C HETATM 1378 N1V RCY A 150 85.701 0.936 -0.497 1.00 1.00 N HETATM 1379 C1W RCY A 150 86.433 -0.124 -1.380 1.00 1.00 C HETATM 1380 C1X RCY A 150 84.187 0.636 -0.432 1.00 1.00 C HETATM 1381 C1Y RCY A 150 87.410 0.464 -2.487 1.00 1.00 C HETATM 1382 C1Z RCY A 150 87.350 -0.942 -0.470 1.00 1.00 C HETATM 0 H1ZB RCY A 150 86.773 -1.341 0.364 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 87.785 -1.765 -1.037 1.00 1.00 H new HETATM 0 H1YB RCY A 150 87.844 -0.355 -3.061 1.00 1.00 H new HETATM 0 H1YA RCY A 150 86.851 1.119 -3.155 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.336 1.412 -1.208 1.00 1.00 H new HETATM 0 H1VA RCY A 150 83.631 2.622 -1.048 1.00 1.00 H new HETATM 0 H1SA RCY A 150 84.250 -5.329 1.358 1.00 1.00 H new HETATM 0 H1MA RCY A 150 85.547 -2.003 -2.035 1.00 1.00 H new HETATM 0 H1LA RCY A 150 83.082 -5.674 -0.636 1.00 1.00 H new HETATM 0 H1CB RCY A 150 82.567 0.910 1.017 1.00 1.00 H new HETATM 0 H1CA RCY A 150 84.100 0.367 1.740 1.00 1.00 H new HETATM 0 H1Z RCY A 150 88.146 -0.304 -0.087 1.00 1.00 H new HETATM 0 H1Y RCY A 150 88.206 1.032 -2.005 1.00 1.00 H new HETATM 0 H1V RCY A 150 83.685 1.429 -2.368 1.00 1.00 H new HETATM 0 H1U RCY A 150 82.990 -0.674 -1.506 1.00 1.00 H new HETATM 0 H1S RCY A 150 85.577 -4.511 0.556 1.00 1.00 H new HETATM 0 H1M RCY A 150 85.058 -0.621 -2.995 1.00 1.00 H new HETATM 0 H1L RCY A 150 84.668 -5.495 -1.360 1.00 1.00 H new HETATM 0 H1C RCY A 150 83.914 2.057 1.213 1.00 1.00 H new HETATM 1385 C1C RCY A 160 77.507 8.546 -0.181 1.00 1.00 C HETATM 1386 O1G RCY A 160 79.876 3.196 -0.496 1.00 1.00 O HETATM 1387 O1H RCY A 160 79.468 4.586 -3.764 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.510 7.791 2.234 1.00 1.00 O HETATM 1389 C1L RCY A 160 81.058 5.263 -1.049 1.00 1.00 C HETATM 1390 C1M RCY A 160 76.400 5.051 -0.399 1.00 1.00 C HETATM 1391 C1P RCY A 160 79.905 4.365 -0.880 1.00 1.00 C HETATM 1392 C1Q RCY A 160 79.704 5.351 -2.841 1.00 1.00 C HETATM 1393 N1R RCY A 160 78.872 5.166 -1.431 1.00 1.00 N HETATM 1394 C1S RCY A 160 81.293 5.633 -2.514 1.00 1.00 C HETATM 1395 C1U RCY A 160 77.543 5.961 -0.688 1.00 1.00 C HETATM 1396 C1V RCY A 160 78.549 7.476 1.768 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.136 6.920 1.261 1.00 1.00 N HETATM 1398 C1W RCY A 160 75.523 5.570 0.810 1.00 1.00 C HETATM 1399 C1X RCY A 160 77.508 7.189 0.552 1.00 1.00 C HETATM 1400 C1Y RCY A 160 75.462 4.426 1.889 1.00 1.00 C HETATM 1401 C1Z RCY A 160 74.033 5.955 0.535 1.00 1.00 C HETATM 0 H1ZB RCY A 160 73.995 6.757 -0.202 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 73.497 5.086 0.154 1.00 1.00 H new HETATM 0 H1YB RCY A 160 75.011 3.536 1.450 1.00 1.00 H new HETATM 0 H1YA RCY A 160 76.471 4.192 2.228 1.00 1.00 H new HETATM 0 H1VB RCY A 160 79.523 7.744 1.358 1.00 1.00 H new HETATM 0 H1VA RCY A 160 78.175 8.296 2.381 1.00 1.00 H new HETATM 0 H1SA RCY A 160 81.620 6.659 -2.681 1.00 1.00 H new HETATM 0 H1MA RCY A 160 75.775 4.960 -1.288 1.00 1.00 H new HETATM 0 H1LA RCY A 160 80.897 6.171 -0.468 1.00 1.00 H new HETATM 0 H1CB RCY A 160 78.407 8.631 -0.790 1.00 1.00 H new HETATM 0 H1CA RCY A 160 76.628 8.613 -0.822 1.00 1.00 H new HETATM 0 H1Z RCY A 160 73.567 6.291 1.461 1.00 1.00 H new HETATM 0 H1Y RCY A 160 74.862 4.757 2.737 1.00 1.00 H new HETATM 0 H1V RCY A 160 78.648 6.580 2.381 1.00 1.00 H new HETATM 0 H1U RCY A 160 77.568 6.634 -1.545 1.00 1.00 H new HETATM 0 H1S RCY A 160 81.992 4.986 -3.044 1.00 1.00 H new HETATM 0 H1M RCY A 160 76.778 4.054 -0.171 1.00 1.00 H new HETATM 0 H1L RCY A 160 81.951 4.783 -0.649 1.00 1.00 H new HETATM 0 H1C RCY A 160 77.485 9.354 0.550 1.00 1.00 H new HETATM 1404 C1C RCY A 168 62.189 8.950 -13.515 1.00 1.00 C HETATM 1405 O1G RCY A 168 66.043 8.198 -12.370 1.00 1.00 O HETATM 1406 O1H RCY A 168 65.310 4.391 -11.420 1.00 1.00 O HETATM 1407 O1J RCY A 168 59.316 8.631 -12.686 1.00 1.00 O HETATM 1408 C1L RCY A 168 66.434 7.354 -10.234 1.00 1.00 C HETATM 1409 C1M RCY A 168 61.799 5.796 -11.755 1.00 1.00 C HETATM 1410 C1P RCY A 168 65.747 7.396 -11.461 1.00 1.00 C HETATM 1411 C1Q RCY A 168 65.560 5.460 -10.783 1.00 1.00 C HETATM 1412 N1R RCY A 168 64.517 6.683 -11.249 1.00 1.00 N HETATM 1413 C1S RCY A 168 67.507 5.572 -9.206 1.00 1.00 C HETATM 1414 C1U RCY A 168 62.891 6.838 -12.103 1.00 1.00 C HETATM 1415 C1V RCY A 168 62.003 9.440 -11.046 1.00 1.00 C HETATM 1416 N1V RCY A 168 60.427 7.775 -12.262 1.00 1.00 N HETATM 1417 C1W RCY A 168 60.310 6.259 -11.912 1.00 1.00 C HETATM 1418 C1X RCY A 168 61.948 8.262 -12.152 1.00 1.00 C HETATM 1419 C1Y RCY A 168 59.483 5.954 -10.605 1.00 1.00 C HETATM 1420 C1Z RCY A 168 59.477 5.490 -13.028 1.00 1.00 C HETATM 0 H1ZB RCY A 168 59.951 5.633 -13.999 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 59.448 4.426 -12.792 1.00 1.00 H new HETATM 0 H1YB RCY A 168 59.497 4.882 -10.408 1.00 1.00 H new HETATM 0 H1YA RCY A 168 59.926 6.484 -9.762 1.00 1.00 H new HETATM 0 H1VB RCY A 168 62.980 9.923 -11.077 1.00 1.00 H new HETATM 0 H1VA RCY A 168 61.228 10.176 -11.259 1.00 1.00 H new HETATM 0 H1SA RCY A 168 68.508 5.252 -9.496 1.00 1.00 H new HETATM 0 H1MA RCY A 168 61.951 4.920 -12.385 1.00 1.00 H new HETATM 0 H1LA RCY A 168 67.199 8.126 -10.318 1.00 1.00 H new HETATM 0 H1CB RCY A 168 63.246 9.196 -13.617 1.00 1.00 H new HETATM 0 H1CA RCY A 168 61.894 8.276 -14.320 1.00 1.00 H new HETATM 0 H1Z RCY A 168 58.461 5.883 -13.059 1.00 1.00 H new HETATM 0 H1Y RCY A 168 58.453 6.285 -10.740 1.00 1.00 H new HETATM 0 H1V RCY A 168 61.839 9.017 -10.055 1.00 1.00 H new HETATM 0 H1U RCY A 168 63.427 6.728 -13.046 1.00 1.00 H new HETATM 0 H1S RCY A 168 67.403 5.369 -8.140 1.00 1.00 H new HETATM 0 H1M RCY A 168 61.949 5.477 -10.724 1.00 1.00 H new HETATM 0 H1L RCY A 168 65.709 7.702 -9.499 1.00 1.00 H new HETATM 0 H1C RCY A 168 61.597 9.863 -13.571 1.00 1.00 H new HETATM 1423 C1C RCY A 173 68.994 -13.547 -3.615 1.00 1.00 C HETATM 1424 O1G RCY A 173 71.292 -10.845 -6.007 1.00 1.00 O HETATM 1425 O1H RCY A 173 68.736 -9.428 -4.136 1.00 1.00 O HETATM 1426 O1J RCY A 173 66.211 -14.851 -3.552 1.00 1.00 O HETATM 1427 C1L RCY A 173 70.192 -8.562 -6.267 1.00 1.00 C HETATM 1428 C1M RCY A 173 66.566 -12.082 -6.229 1.00 1.00 C HETATM 1429 C1P RCY A 173 70.249 -10.191 -6.077 1.00 1.00 C HETATM 1430 C1Q RCY A 173 68.567 -9.537 -5.361 1.00 1.00 C HETATM 1431 N1R RCY A 173 68.871 -10.786 -5.919 1.00 1.00 N HETATM 1432 C1S RCY A 173 68.654 -8.191 -6.484 1.00 1.00 C HETATM 1433 C1U RCY A 173 68.010 -12.239 -5.918 1.00 1.00 C HETATM 1434 C1V RCY A 173 68.734 -14.771 -5.743 1.00 1.00 C HETATM 1435 N1V RCY A 173 66.644 -13.834 -4.508 1.00 1.00 N HETATM 1436 C1W RCY A 173 65.674 -12.873 -5.271 1.00 1.00 C HETATM 1437 C1X RCY A 173 68.154 -13.572 -4.951 1.00 1.00 C HETATM 1438 C1Y RCY A 173 64.533 -13.617 -6.036 1.00 1.00 C HETATM 1439 C1Z RCY A 173 64.972 -11.908 -4.295 1.00 1.00 C HETATM 0 H1ZB RCY A 173 65.721 -11.362 -3.722 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 64.360 -11.203 -4.858 1.00 1.00 H new HETATM 0 H1YB RCY A 173 63.915 -12.891 -6.563 1.00 1.00 H new HETATM 0 H1YA RCY A 173 64.969 -14.311 -6.754 1.00 1.00 H new HETATM 0 H1VB RCY A 173 69.795 -14.604 -5.930 1.00 1.00 H new HETATM 0 H1VA RCY A 173 68.607 -15.685 -5.163 1.00 1.00 H new HETATM 0 H1SA RCY A 173 68.314 -7.217 -6.133 1.00 1.00 H new HETATM 0 H1MA RCY A 173 66.300 -11.026 -6.181 1.00 1.00 H new HETATM 0 H1LA RCY A 173 70.595 -8.054 -5.391 1.00 1.00 H new HETATM 0 H1CB RCY A 173 70.031 -13.297 -3.842 1.00 1.00 H new HETATM 0 H1CA RCY A 173 68.580 -12.799 -2.939 1.00 1.00 H new HETATM 0 H1Z RCY A 173 64.338 -12.476 -3.615 1.00 1.00 H new HETATM 0 H1Y RCY A 173 63.918 -14.169 -5.325 1.00 1.00 H new HETATM 0 H1V RCY A 173 68.209 -14.868 -6.693 1.00 1.00 H new HETATM 0 H1U RCY A 173 68.748 -12.553 -6.656 1.00 1.00 H new HETATM 0 H1S RCY A 173 68.235 -8.335 -7.480 1.00 1.00 H new HETATM 0 H1M RCY A 173 66.379 -12.412 -7.251 1.00 1.00 H new HETATM 0 H1L RCY A 173 70.792 -8.249 -7.121 1.00 1.00 H new HETATM 0 H1C RCY A 173 68.952 -14.528 -3.141 1.00 1.00 H new HETATM 1442 C1C RCY A 176 64.216 -0.280 5.061 1.00 1.00 C HETATM 1443 O1G RCY A 176 68.953 -0.692 3.882 1.00 1.00 O HETATM 1444 O1H RCY A 176 65.933 -3.232 1.174 1.00 1.00 O HETATM 1445 O1J RCY A 176 63.354 -1.779 7.598 1.00 1.00 O HETATM 1446 C1L RCY A 176 69.146 -1.797 1.752 1.00 1.00 C HETATM 1447 C1M RCY A 176 65.740 -3.587 5.085 1.00 1.00 C HETATM 1448 C1P RCY A 176 68.386 -1.378 3.040 1.00 1.00 C HETATM 1449 C1Q RCY A 176 66.889 -2.866 1.903 1.00 1.00 C HETATM 1450 N1R RCY A 176 66.851 -1.880 3.199 1.00 1.00 N HETATM 1451 C1S RCY A 176 68.247 -2.852 1.161 1.00 1.00 C HETATM 1452 C1U RCY A 176 65.799 -2.156 4.549 1.00 1.00 C HETATM 1453 C1V RCY A 176 66.176 -0.257 6.612 1.00 1.00 C HETATM 1454 N1V RCY A 176 64.386 -2.200 6.653 1.00 1.00 N HETATM 1455 C1W RCY A 176 64.776 -3.711 6.363 1.00 1.00 C HETATM 1456 C1X RCY A 176 65.245 -1.191 5.723 1.00 1.00 C HETATM 1457 C1Y RCY A 176 65.469 -4.419 7.577 1.00 1.00 C HETATM 1458 C1Z RCY A 176 63.481 -4.647 6.207 1.00 1.00 C HETATM 0 H1ZB RCY A 176 62.853 -4.268 5.401 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 63.794 -5.665 5.975 1.00 1.00 H new HETATM 0 H1YB RCY A 176 65.770 -5.426 7.288 1.00 1.00 H new HETATM 0 H1YA RCY A 176 66.349 -3.849 7.877 1.00 1.00 H new HETATM 0 H1VB RCY A 176 66.664 0.482 5.976 1.00 1.00 H new HETATM 0 H1VA RCY A 176 65.570 0.253 7.361 1.00 1.00 H new HETATM 0 H1SA RCY A 176 68.089 -2.655 0.101 1.00 1.00 H new HETATM 0 H1MA RCY A 176 65.387 -4.254 4.299 1.00 1.00 H new HETATM 0 H1LA RCY A 176 69.284 -0.956 1.072 1.00 1.00 H new HETATM 0 H1CB RCY A 176 64.696 0.296 4.269 1.00 1.00 H new HETATM 0 H1CA RCY A 176 63.415 -0.885 4.635 1.00 1.00 H new HETATM 0 H1Z RCY A 176 62.916 -4.645 7.139 1.00 1.00 H new HETATM 0 H1Y RCY A 176 64.771 -4.475 8.412 1.00 1.00 H new HETATM 0 H1V RCY A 176 66.932 -0.864 7.109 1.00 1.00 H new HETATM 0 H1U RCY A 176 65.206 -1.683 3.767 1.00 1.00 H new HETATM 0 H1S RCY A 176 68.722 -3.830 1.236 1.00 1.00 H new HETATM 0 H1M RCY A 176 66.744 -3.915 5.355 1.00 1.00 H new HETATM 0 H1L RCY A 176 70.137 -2.190 1.977 1.00 1.00 H new HETATM 0 H1C RCY A 176 63.801 0.401 5.804 1.00 1.00 H new HETATM 1461 C1C RCY A 187 72.154 5.219 12.968 1.00 1.00 C HETATM 1462 O1G RCY A 187 71.634 3.254 7.383 1.00 1.00 O HETATM 1463 O1H RCY A 187 74.888 4.041 10.368 1.00 1.00 O HETATM 1464 O1J RCY A 187 69.591 4.337 14.291 1.00 1.00 O HETATM 1465 C1L RCY A 187 73.492 1.818 7.827 1.00 1.00 C HETATM 1466 C1M RCY A 187 70.272 2.515 10.938 1.00 1.00 C HETATM 1467 C1P RCY A 187 72.334 2.733 8.284 1.00 1.00 C HETATM 1468 C1Q RCY A 187 74.146 3.419 9.615 1.00 1.00 C HETATM 1469 N1R RCY A 187 72.522 3.452 9.726 1.00 1.00 N HETATM 1470 C1S RCY A 187 74.675 2.571 8.421 1.00 1.00 C HETATM 1471 C1U RCY A 187 71.622 3.072 11.160 1.00 1.00 C HETATM 1472 C1V RCY A 187 72.484 2.808 13.668 1.00 1.00 C HETATM 1473 N1V RCY A 187 70.130 3.763 13.062 1.00 1.00 N HETATM 1474 C1W RCY A 187 69.265 3.059 11.950 1.00 1.00 C HETATM 1475 C1X RCY A 187 71.682 3.718 12.687 1.00 1.00 C HETATM 1476 C1Y RCY A 187 68.345 1.932 12.538 1.00 1.00 C HETATM 1477 C1Z RCY A 187 68.301 4.056 11.247 1.00 1.00 C HETATM 0 H1ZB RCY A 187 68.875 4.883 10.829 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 67.767 3.543 10.447 1.00 1.00 H new HETATM 0 H1YB RCY A 187 67.789 1.458 11.730 1.00 1.00 H new HETATM 0 H1YA RCY A 187 68.960 1.186 13.041 1.00 1.00 H new HETATM 0 H1VB RCY A 187 73.551 2.921 13.479 1.00 1.00 H new HETATM 0 H1VA RCY A 187 72.264 3.098 14.695 1.00 1.00 H new HETATM 0 H1MA RCY A 187 69.940 2.756 9.928 1.00 1.00 H new HETATM 0 H1LA RCY A 187 73.403 0.805 8.220 1.00 1.00 H new HETATM 0 H1CB RCY A 187 73.176 5.351 12.614 1.00 1.00 H new HETATM 0 H1CA RCY A 187 71.496 5.912 12.443 1.00 1.00 H new HETATM 0 H1Z RCY A 187 67.584 4.442 11.972 1.00 1.00 H new HETATM 0 H1Y RCY A 187 67.647 2.368 13.252 1.00 1.00 H new HETATM 0 H1V RCY A 187 72.197 1.767 13.516 1.00 1.00 H new HETATM 0 H1U RCY A 187 72.530 2.487 11.303 1.00 1.00 H new HETATM 0 H1S RCY A 187 75.135 3.213 7.670 1.00 1.00 H new HETATM 0 H1M RCY A 187 70.310 1.428 11.010 1.00 1.00 H new HETATM 0 H1L RCY A 187 73.554 1.734 6.742 1.00 1.00 H new HETATM 0 H1C RCY A 187 72.112 5.419 14.039 1.00 1.00 H new