USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 659 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 15 ARGHH12 : A 15 ARG NH1 : A 110 RCY C1C :(H bumps) USER MOD NoAdj-H: A 73 CYS H : A 73 CYS N : A 173 RCY C1S :(H bumps) USER MOD NoAdj-H: A 110 RCYH1SA : A 110 RCY C1S : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 RCYH1MA : A 110 RCY C1M : A 11 ARG NE :(H bumps) USER MOD NoAdj-H: A 110 RCYH1CB : A 110 RCY C1C : A 15 ARG NH1 :(H bumps) USER MOD NoAdj-H: A 110 RCY H1C : A 110 RCY C1C : A 15 ARG NH1 :(H bumps) USER MOD NoAdj-H: A 121 RCYH1SA : A 121 RCY C1S : A 21 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 RCYH1SA : A 130 RCY C1S : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 138 RCYH1VA : A 138 RCY C1V : A 150 RCY C1M :(H bumps) USER MOD NoAdj-H: A 138 RCYH1SA : A 138 RCY C1S : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1SA : A 150 RCY C1S : A 50 CYS SG :(H bumps) USER MOD NoAdj-H: A 150 RCYH1MA : A 150 RCY C1M : A 138 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CB : A 150 RCY C1C : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 150 RCYH1CA : A 150 RCY C1C : A 187 RCY C1V :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VB : A 160 RCY C1V : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 160 RCYH1VA : A 160 RCY C1V : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 160 RCYH1SA : A 160 RCY C1S : A 60 CYS SG :(H bumps) USER MOD NoAdj-H: A 160 RCYH1CB : A 160 RCY C1C : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 160 RCY H1C : A 160 RCY C1C : A 168 RCY C1P :(H bumps) USER MOD NoAdj-H: A 168 RCYH1SA : A 168 RCY C1S : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 168 RCY H1L : A 168 RCY C1L : A 160 RCY C1C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1SA : A 173 RCY C1S : A 73 CYS SG :(H bumps) USER MOD NoAdj-H: A 173 RCYH1MA : A 173 RCY C1M : A 69 PRO C :(H bumps) USER MOD NoAdj-H: A 173 RCYH1LA : A 173 RCY C1L : A 73 CYS N :(H bumps) USER MOD NoAdj-H: A 173 RCY H1M : A 173 RCY C1M : A 69 PRO O :(H bumps) USER MOD NoAdj-H: A 176 RCYH1SA : A 176 RCY C1S : A 76 CYS SG :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VB : A 187 RCY C1V : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1VA : A 187 RCY C1V : A 150 RCY C1C :(H bumps) USER MOD NoAdj-H: A 187 RCYH1SA : A 187 RCY C1S : A 87 CYS SG :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -2.57! C(o=-2.6!,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 3:sc= 0.887! USER MOD Single : A 17 MET CE :methyl -153:sc= -0.217 (180deg=-1.37!) USER MOD Single : A 22 THR OG1 : rot 51:sc= 0.327 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= -2.02 (180deg=-2.63!) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc=-0.00216 (180deg=-0.285) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -18.4! C(o=-18!,f=-22!) USER MOD Single : A 34 GLN : amide:sc= -8.45! C(o=-8.5!,f=-10!) USER MOD Single : A 35 THR OG1 : rot 32:sc= -0.233 USER MOD Single : A 37 GLN : amide:sc= -1.47! K(o=-1.5!,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.177) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.543) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 0.957 (180deg=-1.05) USER MOD Single : A 48 GLN : amide:sc= -3.54! K(o=-3.5!,f=-0.38) USER MOD Single : A 57 MET CE :methyl -164:sc= -0.0194 (180deg=-0.455) USER MOD Single : A 62 THR OG1 : rot 45:sc= -0.173! USER MOD Single : A 65 THR OG1 : rot -57:sc= 0.389! USER MOD Single : A 74 ASN : amide:sc= -4.89! C(o=-4.9!,f=-14!) USER MOD Single : A 75 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.53) USER MOD Single : A 79 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.064) USER MOD Single : A 83 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 84.595 -13.368 20.704 1.00 1.00 N ATOM 2 CA MET A 1 84.168 -13.583 19.293 1.00 1.00 C ATOM 3 C MET A 1 83.789 -15.052 19.093 1.00 1.00 C ATOM 4 O MET A 1 84.601 -15.940 19.255 1.00 1.00 O ATOM 5 CB MET A 1 85.318 -13.219 18.351 1.00 1.00 C ATOM 6 CG MET A 1 84.814 -13.214 16.906 1.00 1.00 C ATOM 7 SD MET A 1 83.691 -11.816 16.664 1.00 1.00 S ATOM 8 CE MET A 1 84.935 -10.615 16.129 1.00 1.00 C ATOM 0 H1 MET A 1 84.853 -12.370 20.840 1.00 1.00 H new ATOM 0 H2 MET A 1 83.814 -13.615 21.345 1.00 1.00 H new ATOM 0 H3 MET A 1 85.417 -13.969 20.913 1.00 1.00 H new ATOM 0 HA MET A 1 83.306 -12.953 19.074 1.00 1.00 H new ATOM 0 HB2 MET A 1 85.718 -12.239 18.611 1.00 1.00 H new ATOM 0 HB3 MET A 1 86.132 -13.935 18.461 1.00 1.00 H new ATOM 0 HG2 MET A 1 85.655 -13.142 16.216 1.00 1.00 H new ATOM 0 HG3 MET A 1 84.300 -14.150 16.686 1.00 1.00 H new ATOM 0 HE1 MET A 1 84.453 -9.660 15.921 1.00 1.00 H new ATOM 0 HE2 MET A 1 85.676 -10.484 16.917 1.00 1.00 H new ATOM 0 HE3 MET A 1 85.426 -10.977 15.226 1.00 1.00 H new ATOM 17 N ASN A 2 82.559 -15.313 18.742 1.00 1.00 N ATOM 18 CA ASN A 2 82.127 -16.724 18.532 1.00 1.00 C ATOM 19 C ASN A 2 80.686 -16.742 18.017 1.00 1.00 C ATOM 20 O ASN A 2 80.408 -16.323 16.911 1.00 1.00 O ATOM 21 CB ASN A 2 82.206 -17.483 19.859 1.00 1.00 C ATOM 22 CG ASN A 2 81.598 -16.629 20.973 1.00 1.00 C ATOM 23 OD1 ASN A 2 80.524 -16.082 20.818 1.00 1.00 O ATOM 24 ND2 ASN A 2 82.245 -16.489 22.098 1.00 1.00 N ATOM 0 H ASN A 2 81.835 -14.610 18.592 1.00 1.00 H new ATOM 0 HA ASN A 2 82.780 -17.202 17.802 1.00 1.00 H new ATOM 0 HB2 ASN A 2 81.673 -18.430 19.780 1.00 1.00 H new ATOM 0 HB3 ASN A 2 83.244 -17.720 20.093 1.00 1.00 H new ATOM 0 HD21 ASN A 2 81.849 -15.921 22.847 1.00 1.00 H new ATOM 0 HD22 ASN A 2 83.146 -16.948 22.228 1.00 1.00 H new ATOM 31 N LEU A 3 79.768 -17.224 18.812 1.00 1.00 N ATOM 32 CA LEU A 3 78.342 -17.268 18.375 1.00 1.00 C ATOM 33 C LEU A 3 78.230 -18.029 17.051 1.00 1.00 C ATOM 34 O LEU A 3 78.644 -17.555 16.012 1.00 1.00 O ATOM 35 CB LEU A 3 77.819 -15.838 18.196 1.00 1.00 C ATOM 36 CG LEU A 3 76.330 -15.872 17.849 1.00 1.00 C ATOM 37 CD1 LEU A 3 75.582 -14.849 18.706 1.00 1.00 C ATOM 38 CD2 LEU A 3 76.144 -15.528 16.369 1.00 1.00 C ATOM 0 H LEU A 3 79.945 -17.590 19.748 1.00 1.00 H new ATOM 0 HA LEU A 3 77.747 -17.779 19.132 1.00 1.00 H new ATOM 0 HB2 LEU A 3 77.976 -15.266 19.111 1.00 1.00 H new ATOM 0 HB3 LEU A 3 78.375 -15.334 17.406 1.00 1.00 H new ATOM 0 HG LEU A 3 75.935 -16.869 18.045 1.00 1.00 H new ATOM 0 HD11 LEU A 3 74.521 -14.873 18.458 1.00 1.00 H new ATOM 0 HD12 LEU A 3 75.714 -15.091 19.760 1.00 1.00 H new ATOM 0 HD13 LEU A 3 75.977 -13.852 18.511 1.00 1.00 H new ATOM 0 HD21 LEU A 3 75.083 -15.552 16.120 1.00 1.00 H new ATOM 0 HD22 LEU A 3 76.540 -14.531 16.175 1.00 1.00 H new ATOM 0 HD23 LEU A 3 76.677 -16.256 15.757 1.00 1.00 H new ATOM 50 N GLU A 4 77.668 -19.208 17.081 1.00 1.00 N ATOM 51 CA GLU A 4 77.526 -20.000 15.826 1.00 1.00 C ATOM 52 C GLU A 4 76.884 -19.123 14.745 1.00 1.00 C ATOM 53 O GLU A 4 76.172 -18.185 15.044 1.00 1.00 O ATOM 54 CB GLU A 4 76.641 -21.224 16.094 1.00 1.00 C ATOM 55 CG GLU A 4 75.609 -20.881 17.170 1.00 1.00 C ATOM 56 CD GLU A 4 74.516 -21.951 17.189 1.00 1.00 C ATOM 57 OE1 GLU A 4 74.740 -22.989 17.791 1.00 1.00 O ATOM 58 OE2 GLU A 4 73.473 -21.715 16.602 1.00 1.00 O ATOM 0 H GLU A 4 77.301 -19.656 17.921 1.00 1.00 H new ATOM 0 HA GLU A 4 78.507 -20.333 15.487 1.00 1.00 H new ATOM 0 HB2 GLU A 4 76.138 -21.530 15.177 1.00 1.00 H new ATOM 0 HB3 GLU A 4 77.254 -22.065 16.418 1.00 1.00 H new ATOM 0 HG2 GLU A 4 76.091 -20.822 18.146 1.00 1.00 H new ATOM 0 HG3 GLU A 4 75.172 -19.903 16.971 1.00 1.00 H new ATOM 65 N PRO A 5 77.133 -19.425 13.496 1.00 1.00 N ATOM 66 CA PRO A 5 76.568 -18.647 12.354 1.00 1.00 C ATOM 67 C PRO A 5 75.034 -18.649 12.359 1.00 1.00 C ATOM 68 O PRO A 5 74.410 -19.466 13.007 1.00 1.00 O ATOM 69 CB PRO A 5 77.110 -19.360 11.103 1.00 1.00 C ATOM 70 CG PRO A 5 77.574 -20.701 11.569 1.00 1.00 C ATOM 71 CD PRO A 5 77.973 -20.540 13.036 1.00 1.00 C ATOM 0 HA PRO A 5 76.855 -17.597 12.402 1.00 1.00 H new ATOM 0 HB2 PRO A 5 76.336 -19.457 10.342 1.00 1.00 H new ATOM 0 HB3 PRO A 5 77.929 -18.797 10.655 1.00 1.00 H new ATOM 0 HG2 PRO A 5 76.783 -21.443 11.462 1.00 1.00 H new ATOM 0 HG3 PRO A 5 78.419 -21.047 10.973 1.00 1.00 H new ATOM 0 HD2 PRO A 5 77.782 -21.449 13.607 1.00 1.00 H new ATOM 0 HD3 PRO A 5 79.034 -20.314 13.142 1.00 1.00 H new ATOM 79 N PRO A 6 74.434 -17.737 11.640 1.00 1.00 N ATOM 80 CA PRO A 6 72.948 -17.623 11.556 1.00 1.00 C ATOM 81 C PRO A 6 72.324 -18.759 10.738 1.00 1.00 C ATOM 82 O PRO A 6 72.876 -19.203 9.751 1.00 1.00 O ATOM 83 CB PRO A 6 72.727 -16.275 10.861 1.00 1.00 C ATOM 84 CG PRO A 6 73.965 -16.040 10.062 1.00 1.00 C ATOM 85 CD PRO A 6 75.108 -16.714 10.824 1.00 1.00 C ATOM 0 HA PRO A 6 72.479 -17.688 12.538 1.00 1.00 H new ATOM 0 HB2 PRO A 6 71.845 -16.301 10.222 1.00 1.00 H new ATOM 0 HB3 PRO A 6 72.570 -15.478 11.588 1.00 1.00 H new ATOM 0 HG2 PRO A 6 73.866 -16.459 9.061 1.00 1.00 H new ATOM 0 HG3 PRO A 6 74.154 -14.973 9.944 1.00 1.00 H new ATOM 0 HD2 PRO A 6 75.834 -17.160 10.144 1.00 1.00 H new ATOM 0 HD3 PRO A 6 75.650 -16.001 11.445 1.00 1.00 H new ATOM 93 N LYS A 7 71.176 -19.230 11.141 1.00 1.00 N ATOM 94 CA LYS A 7 70.515 -20.332 10.388 1.00 1.00 C ATOM 95 C LYS A 7 70.229 -19.871 8.957 1.00 1.00 C ATOM 96 O LYS A 7 70.859 -18.963 8.452 1.00 1.00 O ATOM 97 CB LYS A 7 69.200 -20.698 11.082 1.00 1.00 C ATOM 98 CG LYS A 7 69.496 -21.317 12.449 1.00 1.00 C ATOM 99 CD LYS A 7 69.657 -22.831 12.301 1.00 1.00 C ATOM 100 CE LYS A 7 68.279 -23.497 12.330 1.00 1.00 C ATOM 101 NZ LYS A 7 68.322 -24.761 11.542 1.00 1.00 N ATOM 0 H LYS A 7 70.667 -18.899 11.960 1.00 1.00 H new ATOM 0 HA LYS A 7 71.169 -21.204 10.362 1.00 1.00 H new ATOM 0 HB2 LYS A 7 68.580 -19.809 11.201 1.00 1.00 H new ATOM 0 HB3 LYS A 7 68.636 -21.400 10.468 1.00 1.00 H new ATOM 0 HG2 LYS A 7 70.404 -20.883 12.867 1.00 1.00 H new ATOM 0 HG3 LYS A 7 68.687 -21.093 13.144 1.00 1.00 H new ATOM 0 HD2 LYS A 7 70.165 -23.063 11.365 1.00 1.00 H new ATOM 0 HD3 LYS A 7 70.278 -23.222 13.107 1.00 1.00 H new ATOM 0 HE2 LYS A 7 67.986 -23.707 13.359 1.00 1.00 H new ATOM 0 HE3 LYS A 7 67.529 -22.823 11.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 67.386 -25.214 11.561 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 68.583 -24.548 10.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 69.027 -25.404 11.956 1.00 1.00 H new ATOM 115 N ALA A 8 69.283 -20.491 8.301 1.00 1.00 N ATOM 116 CA ALA A 8 68.951 -20.093 6.901 1.00 1.00 C ATOM 117 C ALA A 8 67.443 -19.859 6.784 1.00 1.00 C ATOM 118 O ALA A 8 66.710 -20.701 6.304 1.00 1.00 O ATOM 119 CB ALA A 8 69.368 -21.210 5.942 1.00 1.00 C ATOM 0 H ALA A 8 68.725 -21.258 8.676 1.00 1.00 H new ATOM 0 HA ALA A 8 69.484 -19.177 6.646 1.00 1.00 H new ATOM 0 HB1 ALA A 8 69.126 -20.921 4.919 1.00 1.00 H new ATOM 0 HB2 ALA A 8 70.441 -21.380 6.027 1.00 1.00 H new ATOM 0 HB3 ALA A 8 68.834 -22.126 6.196 1.00 1.00 H new ATOM 125 N GLU A 9 66.975 -18.721 7.222 1.00 1.00 N ATOM 126 CA GLU A 9 65.514 -18.426 7.141 1.00 1.00 C ATOM 127 C GLU A 9 65.314 -16.960 6.754 1.00 1.00 C ATOM 128 O GLU A 9 65.780 -16.061 7.426 1.00 1.00 O ATOM 129 CB GLU A 9 64.865 -18.685 8.502 1.00 1.00 C ATOM 130 CG GLU A 9 64.745 -20.193 8.732 1.00 1.00 C ATOM 131 CD GLU A 9 64.312 -20.456 10.176 1.00 1.00 C ATOM 132 OE1 GLU A 9 64.412 -19.543 10.980 1.00 1.00 O ATOM 133 OE2 GLU A 9 63.887 -21.566 10.453 1.00 1.00 O ATOM 0 H GLU A 9 67.543 -17.980 7.634 1.00 1.00 H new ATOM 0 HA GLU A 9 65.054 -19.069 6.391 1.00 1.00 H new ATOM 0 HB2 GLU A 9 65.462 -18.232 9.294 1.00 1.00 H new ATOM 0 HB3 GLU A 9 63.879 -18.221 8.541 1.00 1.00 H new ATOM 0 HG2 GLU A 9 64.020 -20.621 8.040 1.00 1.00 H new ATOM 0 HG3 GLU A 9 65.700 -20.679 8.533 1.00 1.00 H new ATOM 140 N CYS A 10 64.623 -16.709 5.675 1.00 1.00 N ATOM 141 CA CYS A 10 64.394 -15.300 5.246 1.00 1.00 C ATOM 142 C CYS A 10 63.089 -14.786 5.860 1.00 1.00 C ATOM 143 O CYS A 10 62.284 -15.548 6.357 1.00 1.00 O ATOM 144 CB CYS A 10 64.301 -15.240 3.719 1.00 1.00 C ATOM 145 SG CYS A 10 64.779 -13.589 3.151 1.00 1.00 S ATOM 0 H CYS A 10 64.207 -17.419 5.072 1.00 1.00 H new ATOM 0 HA CYS A 10 65.223 -14.677 5.583 1.00 1.00 H new ATOM 0 HB2 CYS A 10 64.953 -15.992 3.274 1.00 1.00 H new ATOM 0 HB3 CYS A 10 63.285 -15.467 3.396 1.00 1.00 H new ATOM 150 N ARG A 11 62.874 -13.499 5.828 1.00 1.00 N ATOM 151 CA ARG A 11 61.622 -12.938 6.409 1.00 1.00 C ATOM 152 C ARG A 11 61.414 -13.503 7.815 1.00 1.00 C ATOM 153 O ARG A 11 60.709 -14.474 8.007 1.00 1.00 O ATOM 154 CB ARG A 11 60.433 -13.321 5.524 1.00 1.00 C ATOM 155 CG ARG A 11 60.506 -12.547 4.206 1.00 1.00 C ATOM 156 CD ARG A 11 59.380 -13.009 3.279 1.00 1.00 C ATOM 157 NE ARG A 11 58.082 -12.459 3.761 1.00 1.00 N ATOM 158 CZ ARG A 11 56.960 -13.004 3.378 1.00 1.00 C ATOM 159 NH1 ARG A 11 56.975 -14.031 2.573 1.00 1.00 N ATOM 160 NH2 ARG A 11 55.823 -12.522 3.800 1.00 1.00 N ATOM 0 H ARG A 11 63.511 -12.812 5.425 1.00 1.00 H new ATOM 0 HA ARG A 11 61.701 -11.852 6.462 1.00 1.00 H new ATOM 0 HB2 ARG A 11 60.442 -14.393 5.329 1.00 1.00 H new ATOM 0 HB3 ARG A 11 59.498 -13.098 6.037 1.00 1.00 H new ATOM 0 HG2 ARG A 11 60.420 -11.477 4.395 1.00 1.00 H new ATOM 0 HG3 ARG A 11 61.473 -12.709 3.730 1.00 1.00 H new ATOM 0 HD2 ARG A 11 59.573 -12.674 2.260 1.00 1.00 H new ATOM 0 HD3 ARG A 11 59.339 -14.098 3.254 1.00 1.00 H new ATOM 0 HE ARG A 11 58.070 -11.656 4.390 1.00 1.00 H new ATOM 0 HH11 ARG A 11 57.864 -14.408 2.243 1.00 1.00 H new ATOM 0 HH12 ARG A 11 56.098 -14.457 2.274 1.00 1.00 H new ATOM 0 HH21 ARG A 11 55.811 -11.719 4.429 1.00 1.00 H new ATOM 0 HH22 ARG A 11 54.946 -12.948 3.501 1.00 1.00 H new ATOM 174 N SER A 12 62.021 -12.901 8.802 1.00 1.00 N ATOM 175 CA SER A 12 61.857 -13.404 10.196 1.00 1.00 C ATOM 176 C SER A 12 60.594 -12.798 10.811 1.00 1.00 C ATOM 177 O SER A 12 59.868 -13.452 11.533 1.00 1.00 O ATOM 178 CB SER A 12 63.074 -12.999 11.030 1.00 1.00 C ATOM 179 OG SER A 12 62.887 -13.427 12.372 1.00 1.00 O ATOM 0 H SER A 12 62.623 -12.083 8.703 1.00 1.00 H new ATOM 0 HA SER A 12 61.770 -14.490 10.183 1.00 1.00 H new ATOM 0 HB2 SER A 12 63.978 -13.446 10.616 1.00 1.00 H new ATOM 0 HB3 SER A 12 63.209 -11.918 10.996 1.00 1.00 H new ATOM 0 HG SER A 12 63.666 -13.170 12.909 1.00 1.00 H new ATOM 185 N ALA A 13 60.326 -11.551 10.531 1.00 1.00 N ATOM 186 CA ALA A 13 59.110 -10.904 11.099 1.00 1.00 C ATOM 187 C ALA A 13 58.915 -9.531 10.454 1.00 1.00 C ATOM 188 O ALA A 13 58.873 -8.519 11.126 1.00 1.00 O ATOM 189 CB ALA A 13 59.280 -10.738 12.611 1.00 1.00 C ATOM 0 H ALA A 13 60.897 -10.953 9.934 1.00 1.00 H new ATOM 0 HA ALA A 13 58.239 -11.527 10.898 1.00 1.00 H new ATOM 0 HB1 ALA A 13 58.391 -10.265 13.027 1.00 1.00 H new ATOM 0 HB2 ALA A 13 59.419 -11.716 13.071 1.00 1.00 H new ATOM 0 HB3 ALA A 13 60.151 -10.115 12.813 1.00 1.00 H new ATOM 195 N THR A 14 58.797 -9.486 9.156 1.00 1.00 N ATOM 196 CA THR A 14 58.606 -8.177 8.470 1.00 1.00 C ATOM 197 C THR A 14 59.681 -7.195 8.939 1.00 1.00 C ATOM 198 O THR A 14 59.416 -6.286 9.700 1.00 1.00 O ATOM 199 CB THR A 14 57.221 -7.620 8.809 1.00 1.00 C ATOM 200 OG1 THR A 14 57.225 -7.124 10.140 1.00 1.00 O ATOM 201 CG2 THR A 14 56.176 -8.730 8.679 1.00 1.00 C ATOM 0 H THR A 14 58.825 -10.299 8.540 1.00 1.00 H new ATOM 0 HA THR A 14 58.687 -8.316 7.392 1.00 1.00 H new ATOM 0 HB THR A 14 56.976 -6.812 8.120 1.00 1.00 H new ATOM 0 HG1 THR A 14 58.126 -7.208 10.518 1.00 1.00 H new ATOM 0 HG21 THR A 14 55.190 -8.332 8.921 1.00 1.00 H new ATOM 0 HG22 THR A 14 56.174 -9.110 7.657 1.00 1.00 H new ATOM 0 HG23 THR A 14 56.419 -9.540 9.366 1.00 1.00 H new ATOM 209 N ARG A 15 60.894 -7.370 8.490 1.00 1.00 N ATOM 210 CA ARG A 15 61.987 -6.448 8.909 1.00 1.00 C ATOM 211 C ARG A 15 61.525 -4.999 8.743 1.00 1.00 C ATOM 212 O ARG A 15 60.533 -4.723 8.098 1.00 1.00 O ATOM 213 CB ARG A 15 63.220 -6.692 8.038 1.00 1.00 C ATOM 214 CG ARG A 15 62.809 -6.711 6.564 1.00 1.00 C ATOM 215 CD ARG A 15 64.060 -6.714 5.685 1.00 1.00 C ATOM 216 NE ARG A 15 63.665 -6.540 4.259 1.00 1.00 N ATOM 217 CZ ARG A 15 63.199 -7.554 3.582 1.00 1.00 C ATOM 218 NH1 ARG A 15 63.080 -8.721 4.155 1.00 1.00 N ATOM 219 NH2 ARG A 15 62.853 -7.402 2.333 1.00 1.00 N ATOM 0 H ARG A 15 61.175 -8.113 7.850 1.00 1.00 H new ATOM 0 HA ARG A 15 62.237 -6.632 9.954 1.00 1.00 H new ATOM 0 HB2 ARG A 15 63.960 -5.910 8.210 1.00 1.00 H new ATOM 0 HB3 ARG A 15 63.688 -7.639 8.308 1.00 1.00 H new ATOM 0 HG2 ARG A 15 62.203 -7.593 6.356 1.00 1.00 H new ATOM 0 HG3 ARG A 15 62.194 -5.841 6.336 1.00 1.00 H new ATOM 0 HD2 ARG A 15 64.732 -5.911 5.988 1.00 1.00 H new ATOM 0 HD3 ARG A 15 64.604 -7.650 5.811 1.00 1.00 H new ATOM 0 HE ARG A 15 63.759 -5.628 3.812 1.00 1.00 H new ATOM 0 HH11 ARG A 15 63.351 -8.840 5.131 1.00 1.00 H new ATOM 0 HH21 ARG A 15 62.947 -6.490 1.885 1.00 1.00 H new ATOM 0 HH22 ARG A 15 62.489 -8.195 1.805 1.00 1.00 H new ATOM 233 N VAL A 16 62.238 -4.069 9.318 1.00 1.00 N ATOM 234 CA VAL A 16 61.841 -2.639 9.190 1.00 1.00 C ATOM 235 C VAL A 16 61.579 -2.312 7.718 1.00 1.00 C ATOM 236 O VAL A 16 62.440 -2.471 6.875 1.00 1.00 O ATOM 237 CB VAL A 16 62.966 -1.747 9.718 1.00 1.00 C ATOM 238 CG1 VAL A 16 62.587 -0.278 9.525 1.00 1.00 C ATOM 239 CG2 VAL A 16 63.180 -2.026 11.207 1.00 1.00 C ATOM 0 H VAL A 16 63.078 -4.238 9.871 1.00 1.00 H new ATOM 0 HA VAL A 16 60.935 -2.461 9.769 1.00 1.00 H new ATOM 0 HB VAL A 16 63.885 -1.960 9.171 1.00 1.00 H new ATOM 0 HG11 VAL A 16 63.389 0.357 9.901 1.00 1.00 H new ATOM 0 HG12 VAL A 16 62.433 -0.078 8.465 1.00 1.00 H new ATOM 0 HG13 VAL A 16 61.668 -0.064 10.071 1.00 1.00 H new ATOM 0 HG21 VAL A 16 63.981 -1.391 11.585 1.00 1.00 H new ATOM 0 HG22 VAL A 16 62.261 -1.813 11.753 1.00 1.00 H new ATOM 0 HG23 VAL A 16 63.450 -3.073 11.346 1.00 1.00 H new ATOM 249 N MET A 17 60.398 -1.858 7.402 1.00 1.00 N ATOM 250 CA MET A 17 60.083 -1.523 5.984 1.00 1.00 C ATOM 251 C MET A 17 58.898 -0.556 5.939 1.00 1.00 C ATOM 252 O MET A 17 58.732 0.193 4.997 1.00 1.00 O ATOM 253 CB MET A 17 59.726 -2.802 5.225 1.00 1.00 C ATOM 254 CG MET A 17 58.514 -3.465 5.882 1.00 1.00 C ATOM 255 SD MET A 17 58.230 -5.086 5.129 1.00 1.00 S ATOM 256 CE MET A 17 57.918 -4.501 3.444 1.00 1.00 C ATOM 0 H MET A 17 59.637 -1.704 8.064 1.00 1.00 H new ATOM 0 HA MET A 17 60.951 -1.055 5.520 1.00 1.00 H new ATOM 0 HB2 MET A 17 59.506 -2.570 4.183 1.00 1.00 H new ATOM 0 HB3 MET A 17 60.574 -3.487 5.227 1.00 1.00 H new ATOM 0 HG2 MET A 17 58.682 -3.574 6.953 1.00 1.00 H new ATOM 0 HG3 MET A 17 57.632 -2.836 5.761 1.00 1.00 H new ATOM 0 HE1 MET A 17 57.275 -5.212 2.925 1.00 1.00 H new ATOM 0 HE2 MET A 17 57.427 -3.528 3.482 1.00 1.00 H new ATOM 0 HE3 MET A 17 58.864 -4.410 2.910 1.00 1.00 H new ATOM 266 N GLY A 18 58.074 -0.567 6.950 1.00 1.00 N ATOM 267 CA GLY A 18 56.900 0.352 6.964 1.00 1.00 C ATOM 268 C GLY A 18 56.032 0.092 5.732 1.00 1.00 C ATOM 269 O GLY A 18 56.075 -0.969 5.142 1.00 1.00 O ATOM 0 H GLY A 18 58.162 -1.172 7.767 1.00 1.00 H new ATOM 0 HA2 GLY A 18 56.316 0.199 7.872 1.00 1.00 H new ATOM 0 HA3 GLY A 18 57.237 1.389 6.972 1.00 1.00 H new ATOM 273 N GLY A 19 55.242 1.054 5.338 1.00 1.00 N ATOM 274 CA GLY A 19 54.370 0.861 4.145 1.00 1.00 C ATOM 275 C GLY A 19 55.186 1.086 2.870 1.00 1.00 C ATOM 276 O GLY A 19 56.397 1.170 2.904 1.00 1.00 O ATOM 0 H GLY A 19 55.163 1.965 5.791 1.00 1.00 H new ATOM 0 HA2 GLY A 19 53.951 -0.145 4.148 1.00 1.00 H new ATOM 0 HA3 GLY A 19 53.531 1.556 4.179 1.00 1.00 H new ATOM 280 N PRO A 20 54.518 1.181 1.751 1.00 1.00 N ATOM 281 CA PRO A 20 55.178 1.399 0.430 1.00 1.00 C ATOM 282 C PRO A 20 56.196 2.544 0.468 1.00 1.00 C ATOM 283 O PRO A 20 56.083 3.463 1.254 1.00 1.00 O ATOM 284 CB PRO A 20 54.012 1.744 -0.503 1.00 1.00 C ATOM 285 CG PRO A 20 52.816 1.098 0.111 1.00 1.00 C ATOM 286 CD PRO A 20 53.054 1.088 1.623 1.00 1.00 C ATOM 0 HA PRO A 20 55.747 0.526 0.112 1.00 1.00 H new ATOM 0 HB2 PRO A 20 53.879 2.823 -0.584 1.00 1.00 H new ATOM 0 HB3 PRO A 20 54.189 1.368 -1.511 1.00 1.00 H new ATOM 0 HG2 PRO A 20 51.908 1.649 -0.135 1.00 1.00 H new ATOM 0 HG3 PRO A 20 52.686 0.084 -0.268 1.00 1.00 H new ATOM 0 HD2 PRO A 20 52.556 1.926 2.111 1.00 1.00 H new ATOM 0 HD3 PRO A 20 52.670 0.177 2.082 1.00 1.00 H new ATOM 294 N CYS A 21 57.189 2.495 -0.379 1.00 1.00 N ATOM 295 CA CYS A 21 58.212 3.578 -0.393 1.00 1.00 C ATOM 296 C CYS A 21 57.663 4.786 -1.157 1.00 1.00 C ATOM 297 O CYS A 21 57.019 4.645 -2.178 1.00 1.00 O ATOM 298 CB CYS A 21 59.481 3.071 -1.082 1.00 1.00 C ATOM 299 SG CYS A 21 60.199 1.724 -0.109 1.00 1.00 S ATOM 0 H CYS A 21 57.335 1.751 -1.062 1.00 1.00 H new ATOM 0 HA CYS A 21 58.447 3.871 0.630 1.00 1.00 H new ATOM 0 HB2 CYS A 21 59.247 2.723 -2.088 1.00 1.00 H new ATOM 0 HB3 CYS A 21 60.201 3.883 -1.185 1.00 1.00 H new ATOM 304 N THR A 22 57.911 5.975 -0.671 1.00 1.00 N ATOM 305 CA THR A 22 57.402 7.192 -1.369 1.00 1.00 C ATOM 306 C THR A 22 58.440 8.317 -1.265 1.00 1.00 C ATOM 307 O THR A 22 58.506 9.013 -0.271 1.00 1.00 O ATOM 308 CB THR A 22 56.101 7.650 -0.704 1.00 1.00 C ATOM 309 OG1 THR A 22 56.260 7.627 0.707 1.00 1.00 O ATOM 310 CG2 THR A 22 54.962 6.712 -1.107 1.00 1.00 C ATOM 0 H THR A 22 58.444 6.155 0.180 1.00 1.00 H new ATOM 0 HA THR A 22 57.220 6.957 -2.418 1.00 1.00 H new ATOM 0 HB THR A 22 55.864 8.664 -1.027 1.00 1.00 H new ATOM 0 HG1 THR A 22 57.073 8.115 0.953 1.00 1.00 H new ATOM 0 HG21 THR A 22 54.036 7.039 -0.633 1.00 1.00 H new ATOM 0 HG22 THR A 22 54.841 6.731 -2.190 1.00 1.00 H new ATOM 0 HG23 THR A 22 55.195 5.697 -0.785 1.00 1.00 H new ATOM 318 N PRO A 23 59.245 8.500 -2.283 1.00 1.00 N ATOM 319 CA PRO A 23 60.288 9.560 -2.303 1.00 1.00 C ATOM 320 C PRO A 23 59.736 10.909 -2.779 1.00 1.00 C ATOM 321 O PRO A 23 59.145 11.652 -2.020 1.00 1.00 O ATOM 322 CB PRO A 23 61.311 9.011 -3.296 1.00 1.00 C ATOM 323 CG PRO A 23 60.510 8.204 -4.267 1.00 1.00 C ATOM 324 CD PRO A 23 59.258 7.715 -3.528 1.00 1.00 C ATOM 0 HA PRO A 23 60.697 9.761 -1.313 1.00 1.00 H new ATOM 0 HB2 PRO A 23 61.846 9.817 -3.799 1.00 1.00 H new ATOM 0 HB3 PRO A 23 62.059 8.397 -2.794 1.00 1.00 H new ATOM 0 HG2 PRO A 23 60.235 8.806 -5.133 1.00 1.00 H new ATOM 0 HG3 PRO A 23 61.092 7.360 -4.638 1.00 1.00 H new ATOM 0 HD2 PRO A 23 58.356 7.886 -4.116 1.00 1.00 H new ATOM 0 HD3 PRO A 23 59.308 6.645 -3.324 1.00 1.00 H new ATOM 332 N ARG A 24 59.922 11.228 -4.031 1.00 1.00 N ATOM 333 CA ARG A 24 59.408 12.525 -4.557 1.00 1.00 C ATOM 334 C ARG A 24 59.936 13.671 -3.691 1.00 1.00 C ATOM 335 O ARG A 24 59.402 14.762 -3.694 1.00 1.00 O ATOM 336 CB ARG A 24 57.875 12.525 -4.521 1.00 1.00 C ATOM 337 CG ARG A 24 57.345 11.247 -5.174 1.00 1.00 C ATOM 338 CD ARG A 24 57.364 11.405 -6.696 1.00 1.00 C ATOM 339 NE ARG A 24 56.809 10.176 -7.330 1.00 1.00 N ATOM 340 CZ ARG A 24 55.522 9.965 -7.327 1.00 1.00 C ATOM 341 NH1 ARG A 24 54.719 10.830 -6.770 1.00 1.00 N ATOM 342 NH2 ARG A 24 55.036 8.888 -7.883 1.00 1.00 N ATOM 0 H ARG A 24 60.408 10.646 -4.713 1.00 1.00 H new ATOM 0 HA ARG A 24 59.746 12.657 -5.585 1.00 1.00 H new ATOM 0 HB2 ARG A 24 57.526 12.590 -3.491 1.00 1.00 H new ATOM 0 HB3 ARG A 24 57.489 13.400 -5.045 1.00 1.00 H new ATOM 0 HG2 ARG A 24 57.957 10.395 -4.879 1.00 1.00 H new ATOM 0 HG3 ARG A 24 56.330 11.045 -4.831 1.00 1.00 H new ATOM 0 HD2 ARG A 24 56.777 12.275 -6.989 1.00 1.00 H new ATOM 0 HD3 ARG A 24 58.383 11.577 -7.042 1.00 1.00 H new ATOM 0 HE ARG A 24 57.436 9.500 -7.766 1.00 1.00 H new ATOM 0 HH11 ARG A 24 55.098 11.672 -6.337 1.00 1.00 H new ATOM 0 HH12 ARG A 24 53.713 10.664 -6.768 1.00 1.00 H new ATOM 0 HH21 ARG A 24 55.663 8.212 -8.319 1.00 1.00 H new ATOM 0 HH22 ARG A 24 54.029 8.723 -7.881 1.00 1.00 H new ATOM 356 N LYS A 25 60.982 13.431 -2.947 1.00 1.00 N ATOM 357 CA LYS A 25 61.544 14.505 -2.080 1.00 1.00 C ATOM 358 C LYS A 25 62.232 15.559 -2.952 1.00 1.00 C ATOM 359 O LYS A 25 62.204 16.737 -2.655 1.00 1.00 O ATOM 360 CB LYS A 25 62.565 13.893 -1.113 1.00 1.00 C ATOM 361 CG LYS A 25 62.729 14.802 0.107 1.00 1.00 C ATOM 362 CD LYS A 25 61.668 14.450 1.152 1.00 1.00 C ATOM 363 CE LYS A 25 61.951 13.057 1.718 1.00 1.00 C ATOM 364 NZ LYS A 25 63.393 12.730 1.535 1.00 1.00 N ATOM 0 H LYS A 25 61.471 12.537 -2.902 1.00 1.00 H new ATOM 0 HA LYS A 25 60.740 14.975 -1.513 1.00 1.00 H new ATOM 0 HB2 LYS A 25 62.235 12.903 -0.799 1.00 1.00 H new ATOM 0 HB3 LYS A 25 63.524 13.765 -1.615 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.726 14.683 0.531 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.631 15.847 -0.189 1.00 1.00 H new ATOM 0 HD2 LYS A 25 61.674 15.188 1.954 1.00 1.00 H new ATOM 0 HD3 LYS A 25 60.676 14.476 0.701 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.691 13.023 2.776 1.00 1.00 H new ATOM 0 HE3 LYS A 25 61.332 12.315 1.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 63.608 11.829 2.009 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 63.604 12.646 0.520 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 63.976 13.486 1.948 1.00 1.00 H new ATOM 378 N GLY A 26 62.849 15.143 -4.027 1.00 1.00 N ATOM 379 CA GLY A 26 63.543 16.114 -4.925 1.00 1.00 C ATOM 380 C GLY A 26 65.059 15.963 -4.761 1.00 1.00 C ATOM 381 O GLY A 26 65.529 15.383 -3.803 1.00 1.00 O ATOM 0 H GLY A 26 62.902 14.168 -4.323 1.00 1.00 H new ATOM 0 HA2 GLY A 26 63.258 15.935 -5.962 1.00 1.00 H new ATOM 0 HA3 GLY A 26 63.239 17.132 -4.682 1.00 1.00 H new ATOM 385 N PRO A 27 65.817 16.481 -5.693 1.00 1.00 N ATOM 386 CA PRO A 27 67.306 16.402 -5.653 1.00 1.00 C ATOM 387 C PRO A 27 67.870 16.719 -4.257 1.00 1.00 C ATOM 388 O PRO A 27 67.667 17.799 -3.739 1.00 1.00 O ATOM 389 CB PRO A 27 67.743 17.473 -6.654 1.00 1.00 C ATOM 390 CG PRO A 27 66.622 17.574 -7.635 1.00 1.00 C ATOM 391 CD PRO A 27 65.339 17.199 -6.886 1.00 1.00 C ATOM 0 HA PRO A 27 67.667 15.401 -5.889 1.00 1.00 H new ATOM 0 HB2 PRO A 27 67.919 18.427 -6.158 1.00 1.00 H new ATOM 0 HB3 PRO A 27 68.674 17.194 -7.148 1.00 1.00 H new ATOM 0 HG2 PRO A 27 66.552 18.584 -8.039 1.00 1.00 H new ATOM 0 HG3 PRO A 27 66.786 16.904 -8.479 1.00 1.00 H new ATOM 0 HD2 PRO A 27 64.763 18.084 -6.615 1.00 1.00 H new ATOM 0 HD3 PRO A 27 64.690 16.571 -7.496 1.00 1.00 H new ATOM 399 N PRO A 28 68.586 15.797 -3.657 1.00 1.00 N ATOM 400 CA PRO A 28 69.193 16.011 -2.309 1.00 1.00 C ATOM 401 C PRO A 28 69.993 17.316 -2.235 1.00 1.00 C ATOM 402 O PRO A 28 70.321 17.912 -3.242 1.00 1.00 O ATOM 403 CB PRO A 28 70.123 14.807 -2.128 1.00 1.00 C ATOM 404 CG PRO A 28 69.563 13.743 -3.014 1.00 1.00 C ATOM 405 CD PRO A 28 68.892 14.459 -4.189 1.00 1.00 C ATOM 0 HA PRO A 28 68.431 16.093 -1.533 1.00 1.00 H new ATOM 0 HB2 PRO A 28 71.147 15.055 -2.409 1.00 1.00 H new ATOM 0 HB3 PRO A 28 70.147 14.481 -1.088 1.00 1.00 H new ATOM 0 HG2 PRO A 28 70.351 13.077 -3.365 1.00 1.00 H new ATOM 0 HG3 PRO A 28 68.844 13.128 -2.473 1.00 1.00 H new ATOM 0 HD2 PRO A 28 69.553 14.514 -5.054 1.00 1.00 H new ATOM 0 HD3 PRO A 28 67.989 13.940 -4.510 1.00 1.00 H new ATOM 413 N LYS A 29 70.315 17.759 -1.050 1.00 1.00 N ATOM 414 CA LYS A 29 71.100 19.020 -0.911 1.00 1.00 C ATOM 415 C LYS A 29 72.588 18.677 -0.831 1.00 1.00 C ATOM 416 O LYS A 29 73.270 18.587 -1.832 1.00 1.00 O ATOM 417 CB LYS A 29 70.673 19.749 0.367 1.00 1.00 C ATOM 418 CG LYS A 29 69.367 20.504 0.114 1.00 1.00 C ATOM 419 CD LYS A 29 68.254 19.505 -0.212 1.00 1.00 C ATOM 420 CE LYS A 29 66.894 20.192 -0.072 1.00 1.00 C ATOM 421 NZ LYS A 29 66.861 21.408 -0.932 1.00 1.00 N ATOM 0 H LYS A 29 70.069 17.303 -0.172 1.00 1.00 H new ATOM 0 HA LYS A 29 70.918 19.664 -1.771 1.00 1.00 H new ATOM 0 HB2 LYS A 29 70.540 19.034 1.179 1.00 1.00 H new ATOM 0 HB3 LYS A 29 71.452 20.444 0.679 1.00 1.00 H new ATOM 0 HG2 LYS A 29 69.098 21.091 0.992 1.00 1.00 H new ATOM 0 HG3 LYS A 29 69.494 21.205 -0.711 1.00 1.00 H new ATOM 0 HD2 LYS A 29 68.378 19.124 -1.226 1.00 1.00 H new ATOM 0 HD3 LYS A 29 68.311 18.648 0.460 1.00 1.00 H new ATOM 0 HE2 LYS A 29 66.097 19.507 -0.362 1.00 1.00 H new ATOM 0 HE3 LYS A 29 66.718 20.465 0.969 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 65.874 21.691 -1.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 67.369 22.182 -0.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 67.317 21.201 -1.843 1.00 1.00 H new ATOM 435 N CYS A 30 73.097 18.479 0.355 1.00 1.00 N ATOM 436 CA CYS A 30 74.540 18.138 0.501 1.00 1.00 C ATOM 437 C CYS A 30 74.836 17.806 1.965 1.00 1.00 C ATOM 438 O CYS A 30 75.677 18.418 2.593 1.00 1.00 O ATOM 439 CB CYS A 30 75.393 19.331 0.062 1.00 1.00 C ATOM 440 SG CYS A 30 77.132 19.003 0.441 1.00 1.00 S ATOM 0 H CYS A 30 72.575 18.539 1.229 1.00 1.00 H new ATOM 0 HA CYS A 30 74.777 17.276 -0.122 1.00 1.00 H new ATOM 0 HB2 CYS A 30 75.270 19.506 -1.007 1.00 1.00 H new ATOM 0 HB3 CYS A 30 75.063 20.235 0.573 1.00 1.00 H new ATOM 445 N LYS A 31 74.148 16.838 2.514 1.00 1.00 N ATOM 446 CA LYS A 31 74.383 16.460 3.940 1.00 1.00 C ATOM 447 C LYS A 31 74.386 14.934 4.060 1.00 1.00 C ATOM 448 O LYS A 31 73.495 14.346 4.640 1.00 1.00 O ATOM 449 CB LYS A 31 73.269 17.039 4.829 1.00 1.00 C ATOM 450 CG LYS A 31 72.901 18.444 4.346 1.00 1.00 C ATOM 451 CD LYS A 31 74.005 19.426 4.745 1.00 1.00 C ATOM 452 CE LYS A 31 73.704 19.997 6.132 1.00 1.00 C ATOM 453 NZ LYS A 31 74.849 20.839 6.581 1.00 1.00 N ATOM 0 H LYS A 31 73.432 16.292 2.035 1.00 1.00 H new ATOM 0 HA LYS A 31 75.343 16.861 4.266 1.00 1.00 H new ATOM 0 HB2 LYS A 31 72.392 16.392 4.798 1.00 1.00 H new ATOM 0 HB3 LYS A 31 73.601 17.076 5.867 1.00 1.00 H new ATOM 0 HG2 LYS A 31 72.772 18.446 3.264 1.00 1.00 H new ATOM 0 HG3 LYS A 31 71.950 18.752 4.781 1.00 1.00 H new ATOM 0 HD2 LYS A 31 74.971 18.921 4.750 1.00 1.00 H new ATOM 0 HD3 LYS A 31 74.070 20.232 4.015 1.00 1.00 H new ATOM 0 HE2 LYS A 31 72.791 20.592 6.102 1.00 1.00 H new ATOM 0 HE3 LYS A 31 73.534 19.187 6.841 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 74.645 21.228 7.524 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 75.711 20.258 6.625 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 74.991 21.619 5.908 1.00 1.00 H new ATOM 467 N GLN A 32 75.381 14.285 3.516 1.00 1.00 N ATOM 468 CA GLN A 32 75.432 12.798 3.601 1.00 1.00 C ATOM 469 C GLN A 32 76.872 12.316 3.390 1.00 1.00 C ATOM 470 O GLN A 32 77.280 12.013 2.287 1.00 1.00 O ATOM 471 CB GLN A 32 74.521 12.192 2.523 1.00 1.00 C ATOM 472 CG GLN A 32 74.398 13.167 1.350 1.00 1.00 C ATOM 473 CD GLN A 32 75.795 13.582 0.883 1.00 1.00 C ATOM 474 OE1 GLN A 32 76.492 12.810 0.255 1.00 1.00 O ATOM 475 NE2 GLN A 32 76.235 14.778 1.164 1.00 1.00 N ATOM 0 H GLN A 32 76.158 14.719 3.018 1.00 1.00 H new ATOM 0 HA GLN A 32 75.089 12.481 4.586 1.00 1.00 H new ATOM 0 HB2 GLN A 32 74.930 11.242 2.179 1.00 1.00 H new ATOM 0 HB3 GLN A 32 73.536 11.983 2.940 1.00 1.00 H new ATOM 0 HG2 GLN A 32 73.853 12.699 0.530 1.00 1.00 H new ATOM 0 HG3 GLN A 32 73.828 14.046 1.652 1.00 1.00 H new ATOM 0 HE21 GLN A 32 75.650 15.426 1.691 1.00 1.00 H new ATOM 0 HE22 GLN A 32 77.164 15.065 0.856 1.00 1.00 H new ATOM 484 N ARG A 33 77.643 12.235 4.439 1.00 1.00 N ATOM 485 CA ARG A 33 79.048 11.763 4.292 1.00 1.00 C ATOM 486 C ARG A 33 79.040 10.270 3.956 1.00 1.00 C ATOM 487 O ARG A 33 78.100 9.762 3.377 1.00 1.00 O ATOM 488 CB ARG A 33 79.810 11.989 5.603 1.00 1.00 C ATOM 489 CG ARG A 33 79.850 13.484 5.926 1.00 1.00 C ATOM 490 CD ARG A 33 78.758 13.816 6.945 1.00 1.00 C ATOM 491 NE ARG A 33 79.244 13.494 8.316 1.00 1.00 N ATOM 492 CZ ARG A 33 79.985 14.351 8.964 1.00 1.00 C ATOM 493 NH1 ARG A 33 80.301 15.490 8.410 1.00 1.00 N ATOM 494 NH2 ARG A 33 80.410 14.069 10.165 1.00 1.00 N ATOM 0 H ARG A 33 77.361 12.475 5.390 1.00 1.00 H new ATOM 0 HA ARG A 33 79.539 12.319 3.493 1.00 1.00 H new ATOM 0 HB2 ARG A 33 79.326 11.445 6.414 1.00 1.00 H new ATOM 0 HB3 ARG A 33 80.824 11.599 5.517 1.00 1.00 H new ATOM 0 HG2 ARG A 33 80.828 13.755 6.324 1.00 1.00 H new ATOM 0 HG3 ARG A 33 79.703 14.067 5.017 1.00 1.00 H new ATOM 0 HD2 ARG A 33 78.494 14.871 6.880 1.00 1.00 H new ATOM 0 HD3 ARG A 33 77.855 13.247 6.725 1.00 1.00 H new ATOM 0 HE ARG A 33 78.998 12.604 8.748 1.00 1.00 H new ATOM 0 HH11 ARG A 33 79.969 15.710 7.471 1.00 1.00 H new ATOM 0 HH12 ARG A 33 80.880 16.160 8.916 1.00 1.00 H new ATOM 0 HH21 ARG A 33 80.163 13.179 10.597 1.00 1.00 H new ATOM 0 HH22 ARG A 33 80.989 14.739 10.671 1.00 1.00 H new ATOM 508 N GLN A 34 80.075 9.560 4.315 1.00 1.00 N ATOM 509 CA GLN A 34 80.110 8.101 4.014 1.00 1.00 C ATOM 510 C GLN A 34 81.264 7.443 4.774 1.00 1.00 C ATOM 511 O GLN A 34 82.422 7.696 4.512 1.00 1.00 O ATOM 512 CB GLN A 34 80.279 7.885 2.502 1.00 1.00 C ATOM 513 CG GLN A 34 81.699 8.269 2.080 1.00 1.00 C ATOM 514 CD GLN A 34 82.090 9.589 2.747 1.00 1.00 C ATOM 515 OE1 GLN A 34 81.366 10.561 2.670 1.00 1.00 O ATOM 516 NE2 GLN A 34 83.215 9.665 3.405 1.00 1.00 N ATOM 0 H GLN A 34 80.894 9.925 4.801 1.00 1.00 H new ATOM 0 HA GLN A 34 79.172 7.645 4.332 1.00 1.00 H new ATOM 0 HB2 GLN A 34 80.084 6.843 2.250 1.00 1.00 H new ATOM 0 HB3 GLN A 34 79.552 8.486 1.956 1.00 1.00 H new ATOM 0 HG2 GLN A 34 82.399 7.484 2.365 1.00 1.00 H new ATOM 0 HG3 GLN A 34 81.754 8.367 0.996 1.00 1.00 H new ATOM 0 HE21 GLN A 34 83.824 8.849 3.470 1.00 1.00 H new ATOM 0 HE22 GLN A 34 83.485 10.540 3.854 1.00 1.00 H new ATOM 525 N THR A 35 80.953 6.598 5.719 1.00 1.00 N ATOM 526 CA THR A 35 82.026 5.920 6.497 1.00 1.00 C ATOM 527 C THR A 35 81.465 4.647 7.136 1.00 1.00 C ATOM 528 O THR A 35 80.563 4.697 7.946 1.00 1.00 O ATOM 529 CB THR A 35 82.534 6.856 7.601 1.00 1.00 C ATOM 530 OG1 THR A 35 81.426 7.427 8.282 1.00 1.00 O ATOM 531 CG2 THR A 35 83.383 7.967 6.980 1.00 1.00 C ATOM 0 H THR A 35 80.001 6.348 5.985 1.00 1.00 H new ATOM 0 HA THR A 35 82.848 5.665 5.829 1.00 1.00 H new ATOM 0 HB THR A 35 83.142 6.290 8.307 1.00 1.00 H new ATOM 0 HG1 THR A 35 80.684 6.787 8.293 1.00 1.00 H new ATOM 0 HG21 THR A 35 83.743 8.632 7.765 1.00 1.00 H new ATOM 0 HG22 THR A 35 84.233 7.527 6.458 1.00 1.00 H new ATOM 0 HG23 THR A 35 82.778 8.535 6.273 1.00 1.00 H new ATOM 539 N ARG A 36 81.990 3.505 6.781 1.00 1.00 N ATOM 540 CA ARG A 36 81.481 2.235 7.374 1.00 1.00 C ATOM 541 C ARG A 36 82.117 1.050 6.639 1.00 1.00 C ATOM 542 O ARG A 36 82.362 0.009 7.214 1.00 1.00 O ATOM 543 CB ARG A 36 79.941 2.205 7.257 1.00 1.00 C ATOM 544 CG ARG A 36 79.479 0.820 6.799 1.00 1.00 C ATOM 545 CD ARG A 36 79.476 -0.138 7.992 1.00 1.00 C ATOM 546 NE ARG A 36 80.655 0.145 8.859 1.00 1.00 N ATOM 547 CZ ARG A 36 80.649 -0.229 10.109 1.00 1.00 C ATOM 548 NH1 ARG A 36 79.612 -0.850 10.601 1.00 1.00 N ATOM 549 NH2 ARG A 36 81.682 0.019 10.869 1.00 1.00 N ATOM 0 H ARG A 36 82.748 3.397 6.107 1.00 1.00 H new ATOM 0 HA ARG A 36 81.747 2.170 8.429 1.00 1.00 H new ATOM 0 HB2 ARG A 36 79.490 2.448 8.219 1.00 1.00 H new ATOM 0 HB3 ARG A 36 79.607 2.962 6.548 1.00 1.00 H new ATOM 0 HG2 ARG A 36 78.480 0.883 6.367 1.00 1.00 H new ATOM 0 HG3 ARG A 36 80.141 0.444 6.019 1.00 1.00 H new ATOM 0 HD2 ARG A 36 78.555 -0.022 8.563 1.00 1.00 H new ATOM 0 HD3 ARG A 36 79.507 -1.170 7.643 1.00 1.00 H new ATOM 0 HE ARG A 36 81.466 0.631 8.475 1.00 1.00 H new ATOM 0 HH11 ARG A 36 78.805 -1.044 10.008 1.00 1.00 H new ATOM 0 HH12 ARG A 36 79.609 -1.142 11.578 1.00 1.00 H new ATOM 0 HH21 ARG A 36 82.493 0.505 10.485 1.00 1.00 H new ATOM 0 HH22 ARG A 36 81.678 -0.273 11.846 1.00 1.00 H new ATOM 563 N GLN A 37 82.383 1.203 5.372 1.00 1.00 N ATOM 564 CA GLN A 37 83.002 0.092 4.592 1.00 1.00 C ATOM 565 C GLN A 37 81.960 -1.010 4.353 1.00 1.00 C ATOM 566 O GLN A 37 81.192 -0.948 3.414 1.00 1.00 O ATOM 567 CB GLN A 37 84.210 -0.468 5.359 1.00 1.00 C ATOM 568 CG GLN A 37 85.174 -1.134 4.375 1.00 1.00 C ATOM 569 CD GLN A 37 86.224 -1.933 5.149 1.00 1.00 C ATOM 570 OE1 GLN A 37 87.056 -2.595 4.561 1.00 1.00 O ATOM 571 NE2 GLN A 37 86.220 -1.899 6.454 1.00 1.00 N ATOM 0 H GLN A 37 82.198 2.053 4.840 1.00 1.00 H new ATOM 0 HA GLN A 37 83.344 0.468 3.628 1.00 1.00 H new ATOM 0 HB2 GLN A 37 84.717 0.334 5.896 1.00 1.00 H new ATOM 0 HB3 GLN A 37 83.878 -1.190 6.105 1.00 1.00 H new ATOM 0 HG2 GLN A 37 84.625 -1.792 3.701 1.00 1.00 H new ATOM 0 HG3 GLN A 37 85.659 -0.378 3.757 1.00 1.00 H new ATOM 0 HE21 GLN A 37 85.522 -1.343 6.948 1.00 1.00 H new ATOM 0 HE22 GLN A 37 86.915 -2.428 6.980 1.00 1.00 H new ATOM 580 N CYS A 38 81.922 -2.015 5.189 1.00 1.00 N ATOM 581 CA CYS A 38 80.927 -3.107 4.994 1.00 1.00 C ATOM 582 C CYS A 38 81.001 -4.082 6.171 1.00 1.00 C ATOM 583 O CYS A 38 80.047 -4.260 6.902 1.00 1.00 O ATOM 584 CB CYS A 38 81.239 -3.853 3.694 1.00 1.00 C ATOM 585 SG CYS A 38 80.116 -5.262 3.520 1.00 1.00 S ATOM 0 H CYS A 38 82.536 -2.125 5.996 1.00 1.00 H new ATOM 0 HA CYS A 38 79.925 -2.681 4.939 1.00 1.00 H new ATOM 0 HB2 CYS A 38 81.131 -3.181 2.842 1.00 1.00 H new ATOM 0 HB3 CYS A 38 82.273 -4.197 3.699 1.00 1.00 H new ATOM 590 N LYS A 39 82.129 -4.713 6.357 1.00 1.00 N ATOM 591 CA LYS A 39 82.283 -5.681 7.481 1.00 1.00 C ATOM 592 C LYS A 39 83.615 -6.417 7.309 1.00 1.00 C ATOM 593 O LYS A 39 83.661 -7.561 6.903 1.00 1.00 O ATOM 594 CB LYS A 39 81.116 -6.689 7.468 1.00 1.00 C ATOM 595 CG LYS A 39 80.247 -6.480 8.710 1.00 1.00 C ATOM 596 CD LYS A 39 80.952 -7.070 9.932 1.00 1.00 C ATOM 597 CE LYS A 39 80.534 -6.300 11.186 1.00 1.00 C ATOM 598 NZ LYS A 39 79.064 -6.439 11.386 1.00 1.00 N ATOM 0 H LYS A 39 82.957 -4.598 5.773 1.00 1.00 H new ATOM 0 HA LYS A 39 82.272 -5.152 8.434 1.00 1.00 H new ATOM 0 HB2 LYS A 39 80.518 -6.557 6.566 1.00 1.00 H new ATOM 0 HB3 LYS A 39 81.502 -7.708 7.449 1.00 1.00 H new ATOM 0 HG2 LYS A 39 80.062 -5.417 8.862 1.00 1.00 H new ATOM 0 HG3 LYS A 39 79.276 -6.956 8.572 1.00 1.00 H new ATOM 0 HD2 LYS A 39 80.697 -8.124 10.038 1.00 1.00 H new ATOM 0 HD3 LYS A 39 82.033 -7.015 9.803 1.00 1.00 H new ATOM 0 HE2 LYS A 39 81.068 -6.683 12.056 1.00 1.00 H new ATOM 0 HE3 LYS A 39 80.800 -5.248 11.086 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 78.811 -6.111 12.340 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 78.562 -5.866 10.678 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 78.792 -7.437 11.280 1.00 1.00 H new ATOM 612 N SER A 40 84.703 -5.762 7.606 1.00 1.00 N ATOM 613 CA SER A 40 86.031 -6.416 7.448 1.00 1.00 C ATOM 614 C SER A 40 86.203 -6.857 5.993 1.00 1.00 C ATOM 615 O SER A 40 85.244 -6.978 5.256 1.00 1.00 O ATOM 616 CB SER A 40 86.113 -7.637 8.366 1.00 1.00 C ATOM 617 OG SER A 40 85.518 -7.323 9.618 1.00 1.00 O ATOM 0 H SER A 40 84.729 -4.803 7.951 1.00 1.00 H new ATOM 0 HA SER A 40 86.820 -5.713 7.714 1.00 1.00 H new ATOM 0 HB2 SER A 40 85.602 -8.485 7.910 1.00 1.00 H new ATOM 0 HB3 SER A 40 87.153 -7.931 8.508 1.00 1.00 H new ATOM 0 HG SER A 40 85.567 -8.104 10.208 1.00 1.00 H new ATOM 623 N LYS A 41 87.416 -7.095 5.574 1.00 1.00 N ATOM 624 CA LYS A 41 87.653 -7.528 4.166 1.00 1.00 C ATOM 625 C LYS A 41 86.582 -8.549 3.753 1.00 1.00 C ATOM 626 O LYS A 41 86.605 -9.682 4.192 1.00 1.00 O ATOM 627 CB LYS A 41 89.036 -8.179 4.061 1.00 1.00 C ATOM 628 CG LYS A 41 90.104 -7.205 4.563 1.00 1.00 C ATOM 629 CD LYS A 41 90.516 -7.588 5.986 1.00 1.00 C ATOM 630 CE LYS A 41 91.184 -6.390 6.664 1.00 1.00 C ATOM 631 NZ LYS A 41 92.166 -5.774 5.729 1.00 1.00 N ATOM 0 H LYS A 41 88.255 -7.008 6.147 1.00 1.00 H new ATOM 0 HA LYS A 41 87.602 -6.661 3.508 1.00 1.00 H new ATOM 0 HB2 LYS A 41 89.062 -9.097 4.648 1.00 1.00 H new ATOM 0 HB3 LYS A 41 89.240 -8.457 3.027 1.00 1.00 H new ATOM 0 HG2 LYS A 41 90.971 -7.228 3.903 1.00 1.00 H new ATOM 0 HG3 LYS A 41 89.718 -6.186 4.547 1.00 1.00 H new ATOM 0 HD2 LYS A 41 89.642 -7.902 6.557 1.00 1.00 H new ATOM 0 HD3 LYS A 41 91.202 -8.435 5.962 1.00 1.00 H new ATOM 0 HE2 LYS A 41 90.432 -5.656 6.953 1.00 1.00 H new ATOM 0 HE3 LYS A 41 91.686 -6.709 7.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 92.826 -5.175 6.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 92.697 -6.523 5.240 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 91.662 -5.194 5.029 1.00 1.00 H new ATOM 645 N PRO A 42 85.647 -8.157 2.920 1.00 1.00 N ATOM 646 CA PRO A 42 84.559 -9.065 2.460 1.00 1.00 C ATOM 647 C PRO A 42 85.044 -10.044 1.384 1.00 1.00 C ATOM 648 O PRO A 42 86.081 -9.847 0.783 1.00 1.00 O ATOM 649 CB PRO A 42 83.506 -8.108 1.892 1.00 1.00 C ATOM 650 CG PRO A 42 84.269 -6.899 1.456 1.00 1.00 C ATOM 651 CD PRO A 42 85.524 -6.814 2.331 1.00 1.00 C ATOM 0 HA PRO A 42 84.180 -9.694 3.266 1.00 1.00 H new ATOM 0 HB2 PRO A 42 82.973 -8.560 1.055 1.00 1.00 H new ATOM 0 HB3 PRO A 42 82.760 -7.852 2.644 1.00 1.00 H new ATOM 0 HG2 PRO A 42 84.539 -6.974 0.403 1.00 1.00 H new ATOM 0 HG3 PRO A 42 83.662 -6.001 1.566 1.00 1.00 H new ATOM 0 HD2 PRO A 42 86.404 -6.556 1.741 1.00 1.00 H new ATOM 0 HD3 PRO A 42 85.421 -6.050 3.101 1.00 1.00 H new ATOM 659 N PRO A 43 84.297 -11.091 1.147 1.00 1.00 N ATOM 660 CA PRO A 43 84.647 -12.118 0.130 1.00 1.00 C ATOM 661 C PRO A 43 85.312 -11.510 -1.110 1.00 1.00 C ATOM 662 O PRO A 43 85.273 -10.315 -1.320 1.00 1.00 O ATOM 663 CB PRO A 43 83.292 -12.729 -0.219 1.00 1.00 C ATOM 664 CG PRO A 43 82.486 -12.618 1.035 1.00 1.00 C ATOM 665 CD PRO A 43 83.028 -11.415 1.818 1.00 1.00 C ATOM 0 HA PRO A 43 85.372 -12.841 0.502 1.00 1.00 H new ATOM 0 HB2 PRO A 43 82.818 -12.195 -1.042 1.00 1.00 H new ATOM 0 HB3 PRO A 43 83.396 -13.768 -0.531 1.00 1.00 H new ATOM 0 HG2 PRO A 43 81.430 -12.482 0.803 1.00 1.00 H new ATOM 0 HG3 PRO A 43 82.567 -13.530 1.626 1.00 1.00 H new ATOM 0 HD2 PRO A 43 82.335 -10.574 1.787 1.00 1.00 H new ATOM 0 HD3 PRO A 43 83.184 -11.661 2.868 1.00 1.00 H new ATOM 673 N LYS A 44 85.925 -12.332 -1.926 1.00 1.00 N ATOM 674 CA LYS A 44 86.609 -11.826 -3.158 1.00 1.00 C ATOM 675 C LYS A 44 85.976 -10.513 -3.625 1.00 1.00 C ATOM 676 O LYS A 44 84.794 -10.439 -3.894 1.00 1.00 O ATOM 677 CB LYS A 44 86.491 -12.870 -4.272 1.00 1.00 C ATOM 678 CG LYS A 44 85.023 -13.250 -4.473 1.00 1.00 C ATOM 679 CD LYS A 44 84.514 -12.651 -5.785 1.00 1.00 C ATOM 680 CE LYS A 44 84.955 -13.534 -6.954 1.00 1.00 C ATOM 681 NZ LYS A 44 84.343 -13.030 -8.216 1.00 1.00 N ATOM 0 H LYS A 44 85.981 -13.341 -1.790 1.00 1.00 H new ATOM 0 HA LYS A 44 87.659 -11.647 -2.926 1.00 1.00 H new ATOM 0 HB2 LYS A 44 86.904 -12.474 -5.200 1.00 1.00 H new ATOM 0 HB3 LYS A 44 87.074 -13.755 -4.017 1.00 1.00 H new ATOM 0 HG2 LYS A 44 84.917 -14.335 -4.491 1.00 1.00 H new ATOM 0 HG3 LYS A 44 84.425 -12.885 -3.638 1.00 1.00 H new ATOM 0 HD2 LYS A 44 83.427 -12.573 -5.764 1.00 1.00 H new ATOM 0 HD3 LYS A 44 84.904 -11.641 -5.911 1.00 1.00 H new ATOM 0 HE2 LYS A 44 86.042 -13.529 -7.037 1.00 1.00 H new ATOM 0 HE3 LYS A 44 84.653 -14.566 -6.778 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 84.643 -13.630 -9.011 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 83.307 -13.056 -8.134 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 84.652 -12.052 -8.385 1.00 1.00 H new ATOM 695 N LYS A 45 86.765 -9.475 -3.717 1.00 1.00 N ATOM 696 CA LYS A 45 86.234 -8.152 -4.161 1.00 1.00 C ATOM 697 C LYS A 45 86.850 -7.788 -5.514 1.00 1.00 C ATOM 698 O LYS A 45 87.357 -6.701 -5.704 1.00 1.00 O ATOM 699 CB LYS A 45 86.610 -7.086 -3.124 1.00 1.00 C ATOM 700 CG LYS A 45 85.875 -5.781 -3.435 1.00 1.00 C ATOM 701 CD LYS A 45 85.705 -4.971 -2.148 1.00 1.00 C ATOM 702 CE LYS A 45 87.081 -4.574 -1.609 1.00 1.00 C ATOM 703 NZ LYS A 45 87.797 -3.757 -2.629 1.00 1.00 N ATOM 0 H LYS A 45 87.762 -9.487 -3.502 1.00 1.00 H new ATOM 0 HA LYS A 45 85.149 -8.202 -4.258 1.00 1.00 H new ATOM 0 HB2 LYS A 45 86.350 -7.431 -2.123 1.00 1.00 H new ATOM 0 HB3 LYS A 45 87.687 -6.919 -3.134 1.00 1.00 H new ATOM 0 HG2 LYS A 45 86.435 -5.202 -4.170 1.00 1.00 H new ATOM 0 HG3 LYS A 45 84.900 -5.996 -3.873 1.00 1.00 H new ATOM 0 HD2 LYS A 45 85.108 -4.080 -2.343 1.00 1.00 H new ATOM 0 HD3 LYS A 45 85.167 -5.559 -1.404 1.00 1.00 H new ATOM 0 HE2 LYS A 45 86.972 -4.007 -0.685 1.00 1.00 H new ATOM 0 HE3 LYS A 45 87.661 -5.465 -1.369 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 88.532 -3.187 -2.164 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 88.238 -4.386 -3.330 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 87.121 -3.127 -3.106 1.00 1.00 H new ATOM 717 N GLY A 46 86.812 -8.693 -6.454 1.00 1.00 N ATOM 718 CA GLY A 46 87.398 -8.402 -7.793 1.00 1.00 C ATOM 719 C GLY A 46 86.449 -7.504 -8.588 1.00 1.00 C ATOM 720 O GLY A 46 86.547 -6.294 -8.545 1.00 1.00 O ATOM 0 H GLY A 46 86.401 -9.621 -6.352 1.00 1.00 H new ATOM 0 HA2 GLY A 46 88.366 -7.913 -7.679 1.00 1.00 H new ATOM 0 HA3 GLY A 46 87.572 -9.332 -8.334 1.00 1.00 H new ATOM 724 N VAL A 47 85.532 -8.094 -9.315 1.00 1.00 N ATOM 725 CA VAL A 47 84.561 -7.296 -10.128 1.00 1.00 C ATOM 726 C VAL A 47 85.203 -5.982 -10.586 1.00 1.00 C ATOM 727 O VAL A 47 84.922 -4.924 -10.058 1.00 1.00 O ATOM 728 CB VAL A 47 83.310 -6.994 -9.296 1.00 1.00 C ATOM 729 CG1 VAL A 47 82.422 -8.238 -9.238 1.00 1.00 C ATOM 730 CG2 VAL A 47 83.726 -6.599 -7.877 1.00 1.00 C ATOM 0 H VAL A 47 85.413 -9.105 -9.381 1.00 1.00 H new ATOM 0 HA VAL A 47 84.281 -7.878 -11.006 1.00 1.00 H new ATOM 0 HB VAL A 47 82.757 -6.175 -9.756 1.00 1.00 H new ATOM 0 HG11 VAL A 47 81.532 -8.023 -8.646 1.00 1.00 H new ATOM 0 HG12 VAL A 47 82.126 -8.521 -10.248 1.00 1.00 H new ATOM 0 HG13 VAL A 47 82.974 -9.058 -8.778 1.00 1.00 H new ATOM 0 HG21 VAL A 47 82.837 -6.384 -7.284 1.00 1.00 H new ATOM 0 HG22 VAL A 47 84.279 -7.419 -7.418 1.00 1.00 H new ATOM 0 HG23 VAL A 47 84.359 -5.712 -7.917 1.00 1.00 H new ATOM 740 N GLN A 48 86.062 -6.045 -11.565 1.00 1.00 N ATOM 741 CA GLN A 48 86.723 -4.806 -12.064 1.00 1.00 C ATOM 742 C GLN A 48 87.447 -4.108 -10.911 1.00 1.00 C ATOM 743 O GLN A 48 87.476 -2.896 -10.826 1.00 1.00 O ATOM 744 CB GLN A 48 85.668 -3.865 -12.650 1.00 1.00 C ATOM 745 CG GLN A 48 84.743 -4.652 -13.581 1.00 1.00 C ATOM 746 CD GLN A 48 85.566 -5.280 -14.707 1.00 1.00 C ATOM 747 OE1 GLN A 48 85.604 -4.765 -15.807 1.00 1.00 O ATOM 748 NE2 GLN A 48 86.230 -6.379 -14.478 1.00 1.00 N ATOM 0 H GLN A 48 86.336 -6.904 -12.043 1.00 1.00 H new ATOM 0 HA GLN A 48 87.446 -5.069 -12.837 1.00 1.00 H new ATOM 0 HB2 GLN A 48 85.090 -3.406 -11.848 1.00 1.00 H new ATOM 0 HB3 GLN A 48 86.151 -3.056 -13.198 1.00 1.00 H new ATOM 0 HG2 GLN A 48 84.221 -5.428 -13.021 1.00 1.00 H new ATOM 0 HG3 GLN A 48 83.982 -3.992 -13.997 1.00 1.00 H new ATOM 0 HE21 GLN A 48 86.198 -6.811 -13.555 1.00 1.00 H new ATOM 0 HE22 GLN A 48 86.781 -6.806 -15.222 1.00 1.00 H new ATOM 757 N GLY A 49 88.037 -4.863 -10.025 1.00 1.00 N ATOM 758 CA GLY A 49 88.765 -4.244 -8.880 1.00 1.00 C ATOM 759 C GLY A 49 87.905 -3.147 -8.250 1.00 1.00 C ATOM 760 O GLY A 49 88.195 -1.973 -8.368 1.00 1.00 O ATOM 0 H GLY A 49 88.047 -5.883 -10.044 1.00 1.00 H new ATOM 0 HA2 GLY A 49 89.004 -5.004 -8.136 1.00 1.00 H new ATOM 0 HA3 GLY A 49 89.711 -3.825 -9.223 1.00 1.00 H new ATOM 764 N CYS A 50 86.849 -3.519 -7.578 1.00 1.00 N ATOM 765 CA CYS A 50 85.974 -2.496 -6.938 1.00 1.00 C ATOM 766 C CYS A 50 86.548 -2.121 -5.570 1.00 1.00 C ATOM 767 O CYS A 50 86.369 -2.826 -4.597 1.00 1.00 O ATOM 768 CB CYS A 50 84.567 -3.068 -6.761 1.00 1.00 C ATOM 769 SG CYS A 50 83.750 -3.172 -8.373 1.00 1.00 S ATOM 0 H CYS A 50 86.555 -4.487 -7.445 1.00 1.00 H new ATOM 0 HA CYS A 50 85.928 -1.609 -7.570 1.00 1.00 H new ATOM 0 HB2 CYS A 50 84.620 -4.056 -6.304 1.00 1.00 H new ATOM 0 HB3 CYS A 50 83.988 -2.436 -6.088 1.00 1.00 H new ATOM 774 N GLY A 51 87.236 -1.016 -5.487 1.00 1.00 N ATOM 775 CA GLY A 51 87.820 -0.601 -4.181 1.00 1.00 C ATOM 776 C GLY A 51 88.361 0.825 -4.290 1.00 1.00 C ATOM 777 O GLY A 51 88.484 1.374 -5.367 1.00 1.00 O ATOM 0 H GLY A 51 87.419 -0.383 -6.266 1.00 1.00 H new ATOM 0 HA2 GLY A 51 87.062 -0.654 -3.399 1.00 1.00 H new ATOM 0 HA3 GLY A 51 88.621 -1.284 -3.896 1.00 1.00 H new ATOM 781 N ASP A 52 88.689 1.429 -3.180 1.00 1.00 N ATOM 782 CA ASP A 52 89.226 2.820 -3.213 1.00 1.00 C ATOM 783 C ASP A 52 90.234 2.995 -2.075 1.00 1.00 C ATOM 784 O ASP A 52 89.975 3.675 -1.101 1.00 1.00 O ATOM 785 CB ASP A 52 88.077 3.816 -3.043 1.00 1.00 C ATOM 786 CG ASP A 52 88.643 5.231 -2.908 1.00 1.00 C ATOM 787 OD1 ASP A 52 89.177 5.730 -3.884 1.00 1.00 O ATOM 788 OD2 ASP A 52 88.531 5.792 -1.830 1.00 1.00 O ATOM 0 H ASP A 52 88.608 1.018 -2.250 1.00 1.00 H new ATOM 0 HA ASP A 52 89.719 3.002 -4.168 1.00 1.00 H new ATOM 0 HB2 ASP A 52 87.405 3.762 -3.900 1.00 1.00 H new ATOM 0 HB3 ASP A 52 87.489 3.562 -2.161 1.00 1.00 H new ATOM 793 N ASP A 53 91.379 2.380 -2.193 1.00 1.00 N ATOM 794 CA ASP A 53 92.413 2.498 -1.123 1.00 1.00 C ATOM 795 C ASP A 53 91.811 2.068 0.216 1.00 1.00 C ATOM 796 O ASP A 53 91.602 0.896 0.462 1.00 1.00 O ATOM 797 CB ASP A 53 92.895 3.948 -1.031 1.00 1.00 C ATOM 798 CG ASP A 53 93.455 4.387 -2.385 1.00 1.00 C ATOM 799 OD1 ASP A 53 94.063 3.563 -3.048 1.00 1.00 O ATOM 800 OD2 ASP A 53 93.266 5.540 -2.737 1.00 1.00 O ATOM 0 H ASP A 53 91.645 1.798 -2.987 1.00 1.00 H new ATOM 0 HA ASP A 53 93.259 1.854 -1.363 1.00 1.00 H new ATOM 0 HB2 ASP A 53 92.071 4.598 -0.738 1.00 1.00 H new ATOM 0 HB3 ASP A 53 93.662 4.039 -0.262 1.00 1.00 H new ATOM 805 N ILE A 54 91.526 3.005 1.083 1.00 1.00 N ATOM 806 CA ILE A 54 90.931 2.650 2.406 1.00 1.00 C ATOM 807 C ILE A 54 89.654 3.467 2.618 1.00 1.00 C ATOM 808 O ILE A 54 89.649 4.450 3.333 1.00 1.00 O ATOM 809 CB ILE A 54 91.929 2.980 3.522 1.00 1.00 C ATOM 810 CG1 ILE A 54 93.254 2.266 3.246 1.00 1.00 C ATOM 811 CG2 ILE A 54 91.368 2.510 4.865 1.00 1.00 C ATOM 812 CD1 ILE A 54 93.184 0.834 3.779 1.00 1.00 C ATOM 0 H ILE A 54 91.680 4.002 0.932 1.00 1.00 H new ATOM 0 HA ILE A 54 90.699 1.585 2.427 1.00 1.00 H new ATOM 0 HB ILE A 54 92.094 4.057 3.555 1.00 1.00 H new ATOM 0 HG12 ILE A 54 93.458 2.257 2.175 1.00 1.00 H new ATOM 0 HG13 ILE A 54 94.074 2.803 3.722 1.00 1.00 H new ATOM 0 HG21 ILE A 54 92.078 2.745 5.658 1.00 1.00 H new ATOM 0 HG22 ILE A 54 90.423 3.017 5.062 1.00 1.00 H new ATOM 0 HG23 ILE A 54 91.203 1.433 4.833 1.00 1.00 H new ATOM 0 HD11 ILE A 54 94.128 0.326 3.582 1.00 1.00 H new ATOM 0 HD12 ILE A 54 93.000 0.854 4.853 1.00 1.00 H new ATOM 0 HD13 ILE A 54 92.374 0.300 3.282 1.00 1.00 H new ATOM 824 N PRO A 55 88.577 3.059 2.000 1.00 1.00 N ATOM 825 CA PRO A 55 87.265 3.748 2.112 1.00 1.00 C ATOM 826 C PRO A 55 86.442 3.240 3.299 1.00 1.00 C ATOM 827 O PRO A 55 86.833 2.322 3.992 1.00 1.00 O ATOM 828 CB PRO A 55 86.585 3.381 0.797 1.00 1.00 C ATOM 829 CG PRO A 55 87.097 2.015 0.472 1.00 1.00 C ATOM 830 CD PRO A 55 88.485 1.889 1.112 1.00 1.00 C ATOM 0 HA PRO A 55 87.369 4.820 2.280 1.00 1.00 H new ATOM 0 HB2 PRO A 55 85.500 3.383 0.899 1.00 1.00 H new ATOM 0 HB3 PRO A 55 86.833 4.094 0.011 1.00 1.00 H new ATOM 0 HG2 PRO A 55 86.424 1.250 0.858 1.00 1.00 H new ATOM 0 HG3 PRO A 55 87.156 1.873 -0.607 1.00 1.00 H new ATOM 0 HD2 PRO A 55 88.584 0.957 1.669 1.00 1.00 H new ATOM 0 HD3 PRO A 55 89.273 1.897 0.359 1.00 1.00 H new ATOM 838 N GLY A 56 85.300 3.824 3.531 1.00 1.00 N ATOM 839 CA GLY A 56 84.447 3.369 4.664 1.00 1.00 C ATOM 840 C GLY A 56 85.054 3.828 5.991 1.00 1.00 C ATOM 841 O GLY A 56 84.417 4.499 6.774 1.00 1.00 O ATOM 0 H GLY A 56 84.920 4.597 2.985 1.00 1.00 H new ATOM 0 HA2 GLY A 56 83.440 3.771 4.557 1.00 1.00 H new ATOM 0 HA3 GLY A 56 84.359 2.283 4.651 1.00 1.00 H new ATOM 845 N MET A 57 86.279 3.469 6.256 1.00 1.00 N ATOM 846 CA MET A 57 86.909 3.890 7.538 1.00 1.00 C ATOM 847 C MET A 57 86.052 3.398 8.712 1.00 1.00 C ATOM 848 O MET A 57 86.367 2.411 9.346 1.00 1.00 O ATOM 849 CB MET A 57 87.012 5.420 7.574 1.00 1.00 C ATOM 850 CG MET A 57 88.050 5.839 8.617 1.00 1.00 C ATOM 851 SD MET A 57 87.754 7.556 9.106 1.00 1.00 S ATOM 852 CE MET A 57 88.138 8.317 7.510 1.00 1.00 C ATOM 0 H MET A 57 86.869 2.905 5.644 1.00 1.00 H new ATOM 0 HA MET A 57 87.907 3.460 7.617 1.00 1.00 H new ATOM 0 HB2 MET A 57 87.295 5.799 6.592 1.00 1.00 H new ATOM 0 HB3 MET A 57 86.042 5.854 7.816 1.00 1.00 H new ATOM 0 HG2 MET A 57 87.990 5.186 9.488 1.00 1.00 H new ATOM 0 HG3 MET A 57 89.055 5.734 8.208 1.00 1.00 H new ATOM 0 HE1 MET A 57 88.297 9.387 7.646 1.00 1.00 H new ATOM 0 HE2 MET A 57 89.041 7.865 7.099 1.00 1.00 H new ATOM 0 HE3 MET A 57 87.308 8.158 6.822 1.00 1.00 H new ATOM 862 N GLU A 58 84.968 4.074 8.998 1.00 1.00 N ATOM 863 CA GLU A 58 84.081 3.651 10.123 1.00 1.00 C ATOM 864 C GLU A 58 83.114 4.792 10.457 1.00 1.00 C ATOM 865 O GLU A 58 83.520 5.916 10.673 1.00 1.00 O ATOM 866 CB GLU A 58 84.921 3.324 11.365 1.00 1.00 C ATOM 867 CG GLU A 58 86.091 4.305 11.470 1.00 1.00 C ATOM 868 CD GLU A 58 86.315 4.677 12.937 1.00 1.00 C ATOM 869 OE1 GLU A 58 86.578 3.781 13.722 1.00 1.00 O ATOM 870 OE2 GLU A 58 86.219 5.853 13.250 1.00 1.00 O ATOM 0 H GLU A 58 84.658 4.906 8.497 1.00 1.00 H new ATOM 0 HA GLU A 58 83.525 2.763 9.824 1.00 1.00 H new ATOM 0 HB2 GLU A 58 84.302 3.384 12.260 1.00 1.00 H new ATOM 0 HB3 GLU A 58 85.295 2.302 11.304 1.00 1.00 H new ATOM 0 HG2 GLU A 58 86.994 3.856 11.056 1.00 1.00 H new ATOM 0 HG3 GLU A 58 85.882 5.200 10.884 1.00 1.00 H new ATOM 877 N GLY A 59 81.837 4.515 10.507 1.00 1.00 N ATOM 878 CA GLY A 59 80.855 5.590 10.833 1.00 1.00 C ATOM 879 C GLY A 59 79.493 5.255 10.219 1.00 1.00 C ATOM 880 O GLY A 59 79.093 4.110 10.161 1.00 1.00 O ATOM 0 H GLY A 59 81.433 3.594 10.337 1.00 1.00 H new ATOM 0 HA2 GLY A 59 80.761 5.693 11.914 1.00 1.00 H new ATOM 0 HA3 GLY A 59 81.210 6.547 10.451 1.00 1.00 H new ATOM 884 N CYS A 60 78.781 6.252 9.763 1.00 1.00 N ATOM 885 CA CYS A 60 77.442 6.009 9.153 1.00 1.00 C ATOM 886 C CYS A 60 76.569 5.214 10.127 1.00 1.00 C ATOM 887 O CYS A 60 75.731 5.764 10.814 1.00 1.00 O ATOM 888 CB CYS A 60 77.603 5.219 7.850 1.00 1.00 C ATOM 889 SG CYS A 60 75.984 4.624 7.300 1.00 1.00 S ATOM 0 H CYS A 60 79.072 7.229 9.787 1.00 1.00 H new ATOM 0 HA CYS A 60 76.967 6.966 8.939 1.00 1.00 H new ATOM 0 HB2 CYS A 60 78.050 5.851 7.082 1.00 1.00 H new ATOM 0 HB3 CYS A 60 78.279 4.377 8.004 1.00 1.00 H new ATOM 894 N GLY A 61 76.751 3.924 10.185 1.00 1.00 N ATOM 895 CA GLY A 61 75.923 3.093 11.107 1.00 1.00 C ATOM 896 C GLY A 61 74.636 2.689 10.389 1.00 1.00 C ATOM 897 O GLY A 61 73.666 2.289 11.001 1.00 1.00 O ATOM 0 H GLY A 61 77.437 3.408 9.634 1.00 1.00 H new ATOM 0 HA2 GLY A 61 76.477 2.206 11.415 1.00 1.00 H new ATOM 0 HA3 GLY A 61 75.690 3.653 12.012 1.00 1.00 H new ATOM 901 N THR A 62 74.629 2.796 9.088 1.00 1.00 N ATOM 902 CA THR A 62 73.418 2.427 8.299 1.00 1.00 C ATOM 903 C THR A 62 72.176 3.105 8.880 1.00 1.00 C ATOM 904 O THR A 62 71.071 2.870 8.433 1.00 1.00 O ATOM 905 CB THR A 62 73.220 0.913 8.329 1.00 1.00 C ATOM 906 OG1 THR A 62 73.470 0.431 9.642 1.00 1.00 O ATOM 907 CG2 THR A 62 74.187 0.250 7.347 1.00 1.00 C ATOM 0 H THR A 62 75.418 3.126 8.532 1.00 1.00 H new ATOM 0 HA THR A 62 73.562 2.760 7.271 1.00 1.00 H new ATOM 0 HB THR A 62 72.196 0.674 8.042 1.00 1.00 H new ATOM 0 HG1 THR A 62 73.035 1.018 10.295 1.00 1.00 H new ATOM 0 HG21 THR A 62 74.045 -0.830 7.370 1.00 1.00 H new ATOM 0 HG22 THR A 62 73.994 0.621 6.340 1.00 1.00 H new ATOM 0 HG23 THR A 62 75.213 0.487 7.630 1.00 1.00 H new ATOM 915 N ASP A 63 72.337 3.941 9.865 1.00 1.00 N ATOM 916 CA ASP A 63 71.150 4.621 10.451 1.00 1.00 C ATOM 917 C ASP A 63 70.612 5.634 9.441 1.00 1.00 C ATOM 918 O ASP A 63 70.410 6.789 9.757 1.00 1.00 O ATOM 919 CB ASP A 63 71.557 5.348 11.734 1.00 1.00 C ATOM 920 CG ASP A 63 71.791 4.326 12.848 1.00 1.00 C ATOM 921 OD1 ASP A 63 70.866 3.594 13.158 1.00 1.00 O ATOM 922 OD2 ASP A 63 72.892 4.293 13.373 1.00 1.00 O ATOM 0 H ASP A 63 73.233 4.182 10.288 1.00 1.00 H new ATOM 0 HA ASP A 63 70.381 3.885 10.684 1.00 1.00 H new ATOM 0 HB2 ASP A 63 72.463 5.929 11.563 1.00 1.00 H new ATOM 0 HB3 ASP A 63 70.778 6.051 12.029 1.00 1.00 H new ATOM 927 N ILE A 64 70.389 5.215 8.220 1.00 1.00 N ATOM 928 CA ILE A 64 69.876 6.163 7.191 1.00 1.00 C ATOM 929 C ILE A 64 70.816 7.369 7.124 1.00 1.00 C ATOM 930 O ILE A 64 70.596 8.304 6.382 1.00 1.00 O ATOM 931 CB ILE A 64 68.464 6.621 7.592 1.00 1.00 C ATOM 932 CG1 ILE A 64 67.438 5.602 7.091 1.00 1.00 C ATOM 933 CG2 ILE A 64 68.172 7.986 6.966 1.00 1.00 C ATOM 934 CD1 ILE A 64 67.780 4.218 7.645 1.00 1.00 C ATOM 0 H ILE A 64 70.540 4.260 7.895 1.00 1.00 H new ATOM 0 HA ILE A 64 69.833 5.679 6.215 1.00 1.00 H new ATOM 0 HB ILE A 64 68.402 6.699 8.677 1.00 1.00 H new ATOM 0 HG12 ILE A 64 66.436 5.894 7.406 1.00 1.00 H new ATOM 0 HG13 ILE A 64 67.435 5.579 6.001 1.00 1.00 H new ATOM 0 HG21 ILE A 64 67.171 8.310 7.251 1.00 1.00 H new ATOM 0 HG22 ILE A 64 68.903 8.713 7.320 1.00 1.00 H new ATOM 0 HG23 ILE A 64 68.234 7.909 5.880 1.00 1.00 H new ATOM 0 HD11 ILE A 64 67.049 3.492 7.288 1.00 1.00 H new ATOM 0 HD12 ILE A 64 68.775 3.927 7.308 1.00 1.00 H new ATOM 0 HD13 ILE A 64 67.760 4.247 8.734 1.00 1.00 H new ATOM 946 N THR A 65 71.858 7.353 7.908 1.00 1.00 N ATOM 947 CA THR A 65 72.811 8.502 7.925 1.00 1.00 C ATOM 948 C THR A 65 72.056 9.793 7.613 1.00 1.00 C ATOM 949 O THR A 65 72.489 10.601 6.816 1.00 1.00 O ATOM 950 CB THR A 65 73.927 8.290 6.900 1.00 1.00 C ATOM 951 OG1 THR A 65 74.765 9.436 6.872 1.00 1.00 O ATOM 952 CG2 THR A 65 73.316 8.068 5.515 1.00 1.00 C ATOM 0 H THR A 65 72.093 6.589 8.542 1.00 1.00 H new ATOM 0 HA THR A 65 73.262 8.573 8.915 1.00 1.00 H new ATOM 0 HB THR A 65 74.515 7.416 7.179 1.00 1.00 H new ATOM 0 HG1 THR A 65 74.228 10.229 6.665 1.00 1.00 H new ATOM 0 HG21 THR A 65 74.112 7.917 4.786 1.00 1.00 H new ATOM 0 HG22 THR A 65 72.673 7.188 5.538 1.00 1.00 H new ATOM 0 HG23 THR A 65 72.727 8.941 5.233 1.00 1.00 H new ATOM 960 N VAL A 66 70.924 9.979 8.235 1.00 1.00 N ATOM 961 CA VAL A 66 70.114 11.204 7.988 1.00 1.00 C ATOM 962 C VAL A 66 69.522 11.147 6.578 1.00 1.00 C ATOM 963 O VAL A 66 68.326 11.252 6.394 1.00 1.00 O ATOM 964 CB VAL A 66 70.993 12.453 8.128 1.00 1.00 C ATOM 965 CG1 VAL A 66 70.105 13.688 8.289 1.00 1.00 C ATOM 966 CG2 VAL A 66 71.890 12.308 9.359 1.00 1.00 C ATOM 0 H VAL A 66 70.523 9.328 8.910 1.00 1.00 H new ATOM 0 HA VAL A 66 69.309 11.254 8.721 1.00 1.00 H new ATOM 0 HB VAL A 66 71.611 12.564 7.237 1.00 1.00 H new ATOM 0 HG11 VAL A 66 70.730 14.575 8.388 1.00 1.00 H new ATOM 0 HG12 VAL A 66 69.464 13.792 7.413 1.00 1.00 H new ATOM 0 HG13 VAL A 66 69.487 13.578 9.180 1.00 1.00 H new ATOM 0 HG21 VAL A 66 72.515 13.195 9.460 1.00 1.00 H new ATOM 0 HG22 VAL A 66 71.271 12.197 10.249 1.00 1.00 H new ATOM 0 HG23 VAL A 66 72.524 11.428 9.246 1.00 1.00 H new ATOM 976 N ILE A 67 70.350 10.983 5.580 1.00 1.00 N ATOM 977 CA ILE A 67 69.836 10.921 4.179 1.00 1.00 C ATOM 978 C ILE A 67 70.524 9.787 3.412 1.00 1.00 C ATOM 979 O ILE A 67 71.559 9.979 2.804 1.00 1.00 O ATOM 980 CB ILE A 67 70.121 12.249 3.473 1.00 1.00 C ATOM 981 CG1 ILE A 67 69.334 13.368 4.158 1.00 1.00 C ATOM 982 CG2 ILE A 67 69.693 12.151 2.007 1.00 1.00 C ATOM 983 CD1 ILE A 67 69.805 14.723 3.626 1.00 1.00 C ATOM 0 H ILE A 67 71.361 10.889 5.674 1.00 1.00 H new ATOM 0 HA ILE A 67 68.762 10.736 4.205 1.00 1.00 H new ATOM 0 HB ILE A 67 71.188 12.467 3.526 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.267 13.243 3.972 1.00 1.00 H new ATOM 0 HG13 ILE A 67 69.477 13.320 5.237 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.896 13.097 1.505 1.00 1.00 H new ATOM 0 HG22 ILE A 67 70.251 11.353 1.518 1.00 1.00 H new ATOM 0 HG23 ILE A 67 68.626 11.933 1.953 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.244 15.520 4.114 1.00 1.00 H new ATOM 0 HD12 ILE A 67 70.868 14.846 3.835 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.639 14.769 2.550 1.00 1.00 H new ATOM 995 N CYS A 68 69.954 8.612 3.414 1.00 1.00 N ATOM 996 CA CYS A 68 70.575 7.484 2.662 1.00 1.00 C ATOM 997 C CYS A 68 70.132 7.562 1.196 1.00 1.00 C ATOM 998 O CYS A 68 69.063 8.053 0.893 1.00 1.00 O ATOM 999 CB CYS A 68 70.118 6.151 3.270 1.00 1.00 C ATOM 1000 SG CYS A 68 71.489 5.400 4.182 1.00 1.00 S ATOM 0 H CYS A 68 69.088 8.385 3.902 1.00 1.00 H new ATOM 0 HA CYS A 68 71.661 7.550 2.722 1.00 1.00 H new ATOM 0 HB2 CYS A 68 69.271 6.315 3.936 1.00 1.00 H new ATOM 0 HB3 CYS A 68 69.779 5.478 2.483 1.00 1.00 H new ATOM 1005 N PRO A 69 70.942 7.083 0.289 1.00 1.00 N ATOM 1006 CA PRO A 69 70.613 7.102 -1.167 1.00 1.00 C ATOM 1007 C PRO A 69 69.422 6.195 -1.497 1.00 1.00 C ATOM 1008 O PRO A 69 69.014 6.079 -2.636 1.00 1.00 O ATOM 1009 CB PRO A 69 71.891 6.588 -1.844 1.00 1.00 C ATOM 1010 CG PRO A 69 72.616 5.819 -0.789 1.00 1.00 C ATOM 1011 CD PRO A 69 72.253 6.468 0.548 1.00 1.00 C ATOM 0 HA PRO A 69 70.321 8.096 -1.505 1.00 1.00 H new ATOM 0 HB2 PRO A 69 71.655 5.955 -2.700 1.00 1.00 H new ATOM 0 HB3 PRO A 69 72.498 7.413 -2.216 1.00 1.00 H new ATOM 0 HG2 PRO A 69 72.322 4.769 -0.803 1.00 1.00 H new ATOM 0 HG3 PRO A 69 73.693 5.851 -0.956 1.00 1.00 H new ATOM 0 HD2 PRO A 69 72.199 5.731 1.350 1.00 1.00 H new ATOM 0 HD3 PRO A 69 72.992 7.211 0.847 1.00 1.00 H new ATOM 1019 N TRP A 70 68.862 5.550 -0.508 1.00 1.00 N ATOM 1020 CA TRP A 70 67.701 4.651 -0.764 1.00 1.00 C ATOM 1021 C TRP A 70 66.419 5.481 -0.881 1.00 1.00 C ATOM 1022 O TRP A 70 65.360 4.964 -1.178 1.00 1.00 O ATOM 1023 CB TRP A 70 67.570 3.641 0.383 1.00 1.00 C ATOM 1024 CG TRP A 70 66.939 4.303 1.566 1.00 1.00 C ATOM 1025 CD1 TRP A 70 67.085 5.607 1.896 1.00 1.00 C ATOM 1026 CD2 TRP A 70 66.068 3.719 2.578 1.00 1.00 C ATOM 1027 NE1 TRP A 70 66.360 5.862 3.045 1.00 1.00 N ATOM 1028 CE2 TRP A 70 65.715 4.731 3.505 1.00 1.00 C ATOM 1029 CE3 TRP A 70 65.555 2.427 2.781 1.00 1.00 C ATOM 1030 CZ2 TRP A 70 64.882 4.466 4.595 1.00 1.00 C ATOM 1031 CZ3 TRP A 70 64.718 2.157 3.874 1.00 1.00 C ATOM 1032 CH2 TRP A 70 64.382 3.173 4.779 1.00 1.00 C ATOM 0 H TRP A 70 69.159 5.608 0.466 1.00 1.00 H new ATOM 0 HA TRP A 70 67.860 4.112 -1.698 1.00 1.00 H new ATOM 0 HB2 TRP A 70 66.967 2.791 0.065 1.00 1.00 H new ATOM 0 HB3 TRP A 70 68.552 3.252 0.652 1.00 1.00 H new ATOM 0 HD1 TRP A 70 67.672 6.331 1.351 1.00 1.00 H new ATOM 0 HE1 TRP A 70 66.308 6.774 3.498 1.00 1.00 H new ATOM 0 HE3 TRP A 70 65.807 1.636 2.090 1.00 1.00 H new ATOM 0 HZ2 TRP A 70 64.627 5.253 5.289 1.00 1.00 H new ATOM 0 HZ3 TRP A 70 64.330 1.160 4.019 1.00 1.00 H new ATOM 0 HH2 TRP A 70 63.737 2.957 5.618 1.00 1.00 H new ATOM 1043 N GLU A 71 66.506 6.767 -0.655 1.00 1.00 N ATOM 1044 CA GLU A 71 65.296 7.635 -0.757 1.00 1.00 C ATOM 1045 C GLU A 71 65.648 8.885 -1.564 1.00 1.00 C ATOM 1046 O GLU A 71 64.789 9.654 -1.946 1.00 1.00 O ATOM 1047 CB GLU A 71 64.837 8.042 0.647 1.00 1.00 C ATOM 1048 CG GLU A 71 64.008 6.912 1.261 1.00 1.00 C ATOM 1049 CD GLU A 71 63.614 7.287 2.691 1.00 1.00 C ATOM 1050 OE1 GLU A 71 64.486 7.283 3.545 1.00 1.00 O ATOM 1051 OE2 GLU A 71 62.448 7.571 2.909 1.00 1.00 O ATOM 0 H GLU A 71 67.366 7.254 -0.403 1.00 1.00 H new ATOM 0 HA GLU A 71 64.492 7.091 -1.253 1.00 1.00 H new ATOM 0 HB2 GLU A 71 65.701 8.256 1.276 1.00 1.00 H new ATOM 0 HB3 GLU A 71 64.245 8.956 0.597 1.00 1.00 H new ATOM 0 HG2 GLU A 71 63.115 6.734 0.661 1.00 1.00 H new ATOM 0 HG3 GLU A 71 64.581 5.985 1.262 1.00 1.00 H new ATOM 1058 N ALA A 72 66.909 9.089 -1.829 1.00 1.00 N ATOM 1059 CA ALA A 72 67.324 10.285 -2.613 1.00 1.00 C ATOM 1060 C ALA A 72 66.727 10.201 -4.019 1.00 1.00 C ATOM 1061 O ALA A 72 65.532 10.055 -4.188 1.00 1.00 O ATOM 1062 CB ALA A 72 68.850 10.324 -2.708 1.00 1.00 C ATOM 0 H ALA A 72 67.671 8.478 -1.536 1.00 1.00 H new ATOM 0 HA ALA A 72 66.967 11.189 -2.119 1.00 1.00 H new ATOM 0 HB1 ALA A 72 69.157 11.199 -3.282 1.00 1.00 H new ATOM 0 HB2 ALA A 72 69.276 10.380 -1.706 1.00 1.00 H new ATOM 0 HB3 ALA A 72 69.207 9.421 -3.204 1.00 1.00 H new ATOM 1068 N CYS A 73 67.548 10.288 -5.029 1.00 1.00 N ATOM 1069 CA CYS A 73 67.024 10.210 -6.422 1.00 1.00 C ATOM 1070 C CYS A 73 66.763 8.745 -6.781 1.00 1.00 C ATOM 1071 O CYS A 73 67.654 8.028 -7.193 1.00 1.00 O ATOM 1072 CB CYS A 73 68.050 10.809 -7.394 1.00 1.00 C ATOM 1073 SG CYS A 73 69.480 11.416 -6.464 1.00 1.00 S ATOM 0 HA CYS A 73 66.094 10.773 -6.495 1.00 1.00 H new ATOM 0 HB2 CYS A 73 68.365 10.056 -8.116 1.00 1.00 H new ATOM 0 HB3 CYS A 73 67.598 11.624 -7.960 1.00 1.00 H new ATOM 1078 N ASN A 74 65.549 8.295 -6.624 1.00 1.00 N ATOM 1079 CA ASN A 74 65.230 6.877 -6.953 1.00 1.00 C ATOM 1080 C ASN A 74 65.316 6.669 -8.467 1.00 1.00 C ATOM 1081 O ASN A 74 64.571 5.899 -9.041 1.00 1.00 O ATOM 1082 CB ASN A 74 63.815 6.548 -6.471 1.00 1.00 C ATOM 1083 CG ASN A 74 63.649 7.012 -5.023 1.00 1.00 C ATOM 1084 OD1 ASN A 74 63.337 8.159 -4.772 1.00 1.00 O ATOM 1085 ND2 ASN A 74 63.845 6.162 -4.052 1.00 1.00 N ATOM 0 H ASN A 74 64.763 8.848 -6.282 1.00 1.00 H new ATOM 0 HA ASN A 74 65.945 6.220 -6.457 1.00 1.00 H new ATOM 0 HB2 ASN A 74 63.079 7.039 -7.108 1.00 1.00 H new ATOM 0 HB3 ASN A 74 63.635 5.475 -6.543 1.00 1.00 H new ATOM 0 HD21 ASN A 74 63.736 6.461 -3.083 1.00 1.00 H new ATOM 0 HD22 ASN A 74 64.107 5.199 -4.262 1.00 1.00 H new ATOM 1092 N HIS A 75 66.221 7.349 -9.120 1.00 1.00 N ATOM 1093 CA HIS A 75 66.356 7.190 -10.597 1.00 1.00 C ATOM 1094 C HIS A 75 67.309 6.030 -10.896 1.00 1.00 C ATOM 1095 O HIS A 75 67.718 5.824 -12.022 1.00 1.00 O ATOM 1096 CB HIS A 75 66.918 8.481 -11.200 1.00 1.00 C ATOM 1097 CG HIS A 75 66.684 8.484 -12.686 1.00 1.00 C ATOM 1098 ND1 HIS A 75 65.441 8.216 -13.239 1.00 1.00 N ATOM 1099 CD2 HIS A 75 67.524 8.722 -13.747 1.00 1.00 C ATOM 1100 CE1 HIS A 75 65.564 8.297 -14.576 1.00 1.00 C ATOM 1101 NE2 HIS A 75 66.812 8.602 -14.936 1.00 1.00 N ATOM 0 H HIS A 75 66.873 8.008 -8.694 1.00 1.00 H new ATOM 0 HA HIS A 75 65.379 6.982 -11.033 1.00 1.00 H new ATOM 0 HB2 HIS A 75 66.438 9.347 -10.744 1.00 1.00 H new ATOM 0 HB3 HIS A 75 67.984 8.559 -10.989 1.00 1.00 H new ATOM 0 HD2 HIS A 75 68.574 8.964 -13.670 1.00 1.00 H new ATOM 0 HE1 HIS A 75 64.754 8.135 -15.271 1.00 1.00 H new ATOM 0 HE2 HIS A 75 67.169 8.722 -15.884 1.00 1.00 H new ATOM 1110 N CYS A 76 67.666 5.270 -9.896 1.00 1.00 N ATOM 1111 CA CYS A 76 68.592 4.124 -10.122 1.00 1.00 C ATOM 1112 C CYS A 76 67.821 2.961 -10.750 1.00 1.00 C ATOM 1113 O CYS A 76 67.901 1.836 -10.298 1.00 1.00 O ATOM 1114 CB CYS A 76 69.188 3.679 -8.785 1.00 1.00 C ATOM 1115 SG CYS A 76 67.914 2.851 -7.801 1.00 1.00 S ATOM 0 H CYS A 76 67.356 5.394 -8.932 1.00 1.00 H new ATOM 0 HA CYS A 76 69.394 4.432 -10.793 1.00 1.00 H new ATOM 0 HB2 CYS A 76 70.027 3.004 -8.955 1.00 1.00 H new ATOM 0 HB3 CYS A 76 69.578 4.541 -8.244 1.00 1.00 H new ATOM 1120 N GLU A 77 67.074 3.221 -11.788 1.00 1.00 N ATOM 1121 CA GLU A 77 66.300 2.127 -12.439 1.00 1.00 C ATOM 1122 C GLU A 77 67.256 1.204 -13.200 1.00 1.00 C ATOM 1123 O GLU A 77 66.927 0.677 -14.245 1.00 1.00 O ATOM 1124 CB GLU A 77 65.283 2.734 -13.412 1.00 1.00 C ATOM 1125 CG GLU A 77 64.166 1.723 -13.679 1.00 1.00 C ATOM 1126 CD GLU A 77 63.268 2.240 -14.805 1.00 1.00 C ATOM 1127 OE1 GLU A 77 63.788 2.504 -15.877 1.00 1.00 O ATOM 1128 OE2 GLU A 77 62.076 2.363 -14.577 1.00 1.00 O ATOM 0 H GLU A 77 66.966 4.142 -12.213 1.00 1.00 H new ATOM 0 HA GLU A 77 65.774 1.550 -11.679 1.00 1.00 H new ATOM 0 HB2 GLU A 77 64.866 3.650 -12.994 1.00 1.00 H new ATOM 0 HB3 GLU A 77 65.774 3.004 -14.347 1.00 1.00 H new ATOM 0 HG2 GLU A 77 64.592 0.758 -13.953 1.00 1.00 H new ATOM 0 HG3 GLU A 77 63.579 1.566 -12.774 1.00 1.00 H new ATOM 1135 N LEU A 78 68.438 1.003 -12.682 1.00 1.00 N ATOM 1136 CA LEU A 78 69.415 0.113 -13.371 1.00 1.00 C ATOM 1137 C LEU A 78 69.098 -1.345 -13.027 1.00 1.00 C ATOM 1138 O LEU A 78 68.463 -1.630 -12.031 1.00 1.00 O ATOM 1139 CB LEU A 78 70.834 0.454 -12.902 1.00 1.00 C ATOM 1140 CG LEU A 78 71.319 1.718 -13.614 1.00 1.00 C ATOM 1141 CD1 LEU A 78 70.288 2.833 -13.435 1.00 1.00 C ATOM 1142 CD2 LEU A 78 72.655 2.159 -13.013 1.00 1.00 C ATOM 0 H LEU A 78 68.769 1.417 -11.811 1.00 1.00 H new ATOM 0 HA LEU A 78 69.346 0.257 -14.449 1.00 1.00 H new ATOM 0 HB2 LEU A 78 70.845 0.605 -11.823 1.00 1.00 H new ATOM 0 HB3 LEU A 78 71.508 -0.376 -13.114 1.00 1.00 H new ATOM 0 HG LEU A 78 71.448 1.510 -14.676 1.00 1.00 H new ATOM 0 HD11 LEU A 78 70.634 3.733 -13.942 1.00 1.00 H new ATOM 0 HD12 LEU A 78 69.335 2.519 -13.862 1.00 1.00 H new ATOM 0 HD13 LEU A 78 70.159 3.042 -12.373 1.00 1.00 H new ATOM 0 HD21 LEU A 78 73.002 3.060 -13.519 1.00 1.00 H new ATOM 0 HD22 LEU A 78 72.525 2.367 -11.951 1.00 1.00 H new ATOM 0 HD23 LEU A 78 73.391 1.365 -13.140 1.00 1.00 H new ATOM 1154 N HIS A 79 69.531 -2.273 -13.838 1.00 1.00 N ATOM 1155 CA HIS A 79 69.242 -3.705 -13.540 1.00 1.00 C ATOM 1156 C HIS A 79 70.088 -4.609 -14.440 1.00 1.00 C ATOM 1157 O HIS A 79 70.354 -5.748 -14.111 1.00 1.00 O ATOM 1158 CB HIS A 79 67.758 -3.986 -13.789 1.00 1.00 C ATOM 1159 CG HIS A 79 67.481 -5.449 -13.577 1.00 1.00 C ATOM 1160 ND1 HIS A 79 67.160 -5.967 -12.331 1.00 1.00 N ATOM 1161 CD2 HIS A 79 67.474 -6.517 -14.442 1.00 1.00 C ATOM 1162 CE1 HIS A 79 66.974 -7.292 -12.477 1.00 1.00 C ATOM 1163 NE2 HIS A 79 67.153 -7.676 -13.742 1.00 1.00 N ATOM 0 H HIS A 79 70.069 -2.103 -14.688 1.00 1.00 H new ATOM 0 HA HIS A 79 69.486 -3.909 -12.498 1.00 1.00 H new ATOM 0 HB2 HIS A 79 67.146 -3.388 -13.114 1.00 1.00 H new ATOM 0 HB3 HIS A 79 67.488 -3.698 -14.805 1.00 1.00 H new ATOM 0 HD2 HIS A 79 67.685 -6.465 -15.500 1.00 1.00 H new ATOM 0 HE1 HIS A 79 66.712 -7.961 -11.671 1.00 1.00 H new ATOM 0 HE2 HIS A 79 67.072 -8.621 -14.117 1.00 1.00 H new ATOM 1172 N GLU A 80 70.510 -4.120 -15.574 1.00 1.00 N ATOM 1173 CA GLU A 80 71.332 -4.967 -16.484 1.00 1.00 C ATOM 1174 C GLU A 80 72.289 -4.089 -17.292 1.00 1.00 C ATOM 1175 O GLU A 80 73.153 -4.583 -17.989 1.00 1.00 O ATOM 1176 CB GLU A 80 70.411 -5.738 -17.437 1.00 1.00 C ATOM 1177 CG GLU A 80 69.563 -4.752 -18.242 1.00 1.00 C ATOM 1178 CD GLU A 80 70.357 -4.269 -19.458 1.00 1.00 C ATOM 1179 OE1 GLU A 80 70.581 -5.070 -20.350 1.00 1.00 O ATOM 1180 OE2 GLU A 80 70.727 -3.107 -19.476 1.00 1.00 O ATOM 0 H GLU A 80 70.322 -3.175 -15.909 1.00 1.00 H new ATOM 0 HA GLU A 80 71.913 -5.672 -15.889 1.00 1.00 H new ATOM 0 HB2 GLU A 80 71.004 -6.357 -18.110 1.00 1.00 H new ATOM 0 HB3 GLU A 80 69.766 -6.410 -16.871 1.00 1.00 H new ATOM 0 HG2 GLU A 80 68.638 -5.230 -18.565 1.00 1.00 H new ATOM 0 HG3 GLU A 80 69.282 -3.904 -17.618 1.00 1.00 H new ATOM 1187 N LEU A 81 72.155 -2.792 -17.206 1.00 1.00 N ATOM 1188 CA LEU A 81 73.076 -1.905 -17.973 1.00 1.00 C ATOM 1189 C LEU A 81 74.283 -1.562 -17.097 1.00 1.00 C ATOM 1190 O LEU A 81 75.321 -1.158 -17.584 1.00 1.00 O ATOM 1191 CB LEU A 81 72.350 -0.618 -18.394 1.00 1.00 C ATOM 1192 CG LEU A 81 71.434 -0.146 -17.264 1.00 1.00 C ATOM 1193 CD1 LEU A 81 71.346 1.382 -17.281 1.00 1.00 C ATOM 1194 CD2 LEU A 81 70.037 -0.738 -17.460 1.00 1.00 C ATOM 0 H LEU A 81 71.453 -2.312 -16.642 1.00 1.00 H new ATOM 0 HA LEU A 81 73.410 -2.422 -18.873 1.00 1.00 H new ATOM 0 HB2 LEU A 81 73.077 0.158 -18.634 1.00 1.00 H new ATOM 0 HB3 LEU A 81 71.766 -0.798 -19.297 1.00 1.00 H new ATOM 0 HG LEU A 81 71.839 -0.476 -16.307 1.00 1.00 H new ATOM 0 HD11 LEU A 81 70.693 1.718 -16.475 1.00 1.00 H new ATOM 0 HD12 LEU A 81 72.341 1.805 -17.142 1.00 1.00 H new ATOM 0 HD13 LEU A 81 70.941 1.713 -18.238 1.00 1.00 H new ATOM 0 HD21 LEU A 81 69.383 -0.402 -16.655 1.00 1.00 H new ATOM 0 HD22 LEU A 81 69.633 -0.408 -18.417 1.00 1.00 H new ATOM 0 HD23 LEU A 81 70.098 -1.826 -17.448 1.00 1.00 H new ATOM 1206 N ALA A 82 74.159 -1.730 -15.807 1.00 1.00 N ATOM 1207 CA ALA A 82 75.302 -1.426 -14.899 1.00 1.00 C ATOM 1208 C ALA A 82 76.416 -2.453 -15.123 1.00 1.00 C ATOM 1209 O ALA A 82 77.381 -2.507 -14.388 1.00 1.00 O ATOM 1210 CB ALA A 82 74.831 -1.495 -13.444 1.00 1.00 C ATOM 0 H ALA A 82 73.315 -2.065 -15.343 1.00 1.00 H new ATOM 0 HA ALA A 82 75.679 -0.426 -15.111 1.00 1.00 H new ATOM 0 HB1 ALA A 82 75.667 -1.273 -12.780 1.00 1.00 H new ATOM 0 HB2 ALA A 82 74.036 -0.766 -13.284 1.00 1.00 H new ATOM 0 HB3 ALA A 82 74.454 -2.495 -13.231 1.00 1.00 H new ATOM 1216 N GLN A 83 76.285 -3.271 -16.132 1.00 1.00 N ATOM 1217 CA GLN A 83 77.331 -4.299 -16.404 1.00 1.00 C ATOM 1218 C GLN A 83 78.569 -3.631 -17.001 1.00 1.00 C ATOM 1219 O GLN A 83 79.240 -4.186 -17.848 1.00 1.00 O ATOM 1220 CB GLN A 83 76.783 -5.329 -17.391 1.00 1.00 C ATOM 1221 CG GLN A 83 75.716 -6.182 -16.701 1.00 1.00 C ATOM 1222 CD GLN A 83 76.394 -7.276 -15.874 1.00 1.00 C ATOM 1223 OE1 GLN A 83 76.878 -8.251 -16.415 1.00 1.00 O ATOM 1224 NE2 GLN A 83 76.449 -7.156 -14.576 1.00 1.00 N ATOM 0 H GLN A 83 75.498 -3.272 -16.781 1.00 1.00 H new ATOM 0 HA GLN A 83 77.604 -4.793 -15.471 1.00 1.00 H new ATOM 0 HB2 GLN A 83 76.356 -4.826 -18.258 1.00 1.00 H new ATOM 0 HB3 GLN A 83 77.591 -5.964 -17.756 1.00 1.00 H new ATOM 0 HG2 GLN A 83 75.095 -5.557 -16.058 1.00 1.00 H new ATOM 0 HG3 GLN A 83 75.056 -6.629 -17.444 1.00 1.00 H new ATOM 0 HE21 GLN A 83 76.043 -6.338 -14.122 1.00 1.00 H new ATOM 0 HE22 GLN A 83 76.898 -7.880 -14.015 1.00 1.00 H new ATOM 1233 N TYR A 84 78.876 -2.443 -16.565 1.00 1.00 N ATOM 1234 CA TYR A 84 80.072 -1.732 -17.103 1.00 1.00 C ATOM 1235 C TYR A 84 80.663 -0.836 -16.010 1.00 1.00 C ATOM 1236 O TYR A 84 81.751 -0.314 -16.143 1.00 1.00 O ATOM 1237 CB TYR A 84 79.655 -0.878 -18.310 1.00 1.00 C ATOM 1238 CG TYR A 84 80.101 -1.554 -19.584 1.00 1.00 C ATOM 1239 CD1 TYR A 84 79.275 -2.503 -20.200 1.00 1.00 C ATOM 1240 CD2 TYR A 84 81.340 -1.232 -20.151 1.00 1.00 C ATOM 1241 CE1 TYR A 84 79.688 -3.129 -21.381 1.00 1.00 C ATOM 1242 CE2 TYR A 84 81.753 -1.859 -21.333 1.00 1.00 C ATOM 1243 CZ TYR A 84 80.927 -2.808 -21.948 1.00 1.00 C ATOM 1244 OH TYR A 84 81.335 -3.425 -23.113 1.00 1.00 O ATOM 0 H TYR A 84 78.350 -1.930 -15.857 1.00 1.00 H new ATOM 0 HA TYR A 84 80.822 -2.457 -17.418 1.00 1.00 H new ATOM 0 HB2 TYR A 84 78.573 -0.743 -18.317 1.00 1.00 H new ATOM 0 HB3 TYR A 84 80.100 0.115 -18.238 1.00 1.00 H new ATOM 0 HD1 TYR A 84 78.319 -2.751 -19.763 1.00 1.00 H new ATOM 0 HD2 TYR A 84 81.977 -0.500 -19.677 1.00 1.00 H new ATOM 0 HE1 TYR A 84 79.051 -3.860 -21.856 1.00 1.00 H new ATOM 0 HE2 TYR A 84 82.709 -1.611 -21.770 1.00 1.00 H new ATOM 0 HH TYR A 84 82.218 -3.086 -23.371 1.00 1.00 H new ATOM 1254 N GLY A 85 79.954 -0.658 -14.929 1.00 1.00 N ATOM 1255 CA GLY A 85 80.476 0.201 -13.830 1.00 1.00 C ATOM 1256 C GLY A 85 80.367 1.675 -14.228 1.00 1.00 C ATOM 1257 O GLY A 85 80.120 2.532 -13.403 1.00 1.00 O ATOM 0 H GLY A 85 79.036 -1.070 -14.760 1.00 1.00 H new ATOM 0 HA2 GLY A 85 79.912 0.019 -12.915 1.00 1.00 H new ATOM 0 HA3 GLY A 85 81.515 -0.053 -13.620 1.00 1.00 H new ATOM 1261 N ILE A 86 80.554 1.978 -15.485 1.00 1.00 N ATOM 1262 CA ILE A 86 80.466 3.398 -15.934 1.00 1.00 C ATOM 1263 C ILE A 86 79.002 3.759 -16.186 1.00 1.00 C ATOM 1264 O ILE A 86 78.658 4.333 -17.200 1.00 1.00 O ATOM 1265 CB ILE A 86 81.262 3.580 -17.231 1.00 1.00 C ATOM 1266 CG1 ILE A 86 82.619 2.886 -17.096 1.00 1.00 C ATOM 1267 CG2 ILE A 86 81.478 5.072 -17.493 1.00 1.00 C ATOM 1268 CD1 ILE A 86 83.579 3.787 -16.318 1.00 1.00 C ATOM 0 H ILE A 86 80.764 1.303 -16.221 1.00 1.00 H new ATOM 0 HA ILE A 86 80.878 4.047 -15.162 1.00 1.00 H new ATOM 0 HB ILE A 86 80.709 3.142 -18.062 1.00 1.00 H new ATOM 0 HG12 ILE A 86 82.502 1.932 -16.582 1.00 1.00 H new ATOM 0 HG13 ILE A 86 83.027 2.668 -18.083 1.00 1.00 H new ATOM 0 HG21 ILE A 86 82.044 5.201 -18.415 1.00 1.00 H new ATOM 0 HG22 ILE A 86 80.512 5.568 -17.587 1.00 1.00 H new ATOM 0 HG23 ILE A 86 82.032 5.511 -16.663 1.00 1.00 H new ATOM 0 HD11 ILE A 86 84.545 3.292 -16.222 1.00 1.00 H new ATOM 0 HD12 ILE A 86 83.705 4.730 -16.850 1.00 1.00 H new ATOM 0 HD13 ILE A 86 83.171 3.982 -15.326 1.00 1.00 H new ATOM 1280 N CYS A 87 78.140 3.423 -15.272 1.00 1.00 N ATOM 1281 CA CYS A 87 76.697 3.744 -15.453 1.00 1.00 C ATOM 1282 C CYS A 87 76.535 5.246 -15.700 1.00 1.00 C ATOM 1283 CB CYS A 87 75.925 3.343 -14.193 1.00 1.00 C ATOM 1284 SG CYS A 87 76.721 1.909 -13.428 1.00 1.00 S ATOM 0 H CYS A 87 78.371 2.939 -14.405 1.00 1.00 H new ATOM 0 HA CYS A 87 76.305 3.194 -16.308 1.00 1.00 H new ATOM 0 HB2 CYS A 87 75.898 4.175 -13.490 1.00 1.00 H new ATOM 0 HB3 CYS A 87 74.892 3.106 -14.447 1.00 1.00 H new TER 1289 CYS A 87 HETATM 1290 C1C RCY A 110 62.062 -9.160 3.658 1.00 1.00 C HETATM 1291 O1G RCY A 110 59.684 -13.474 2.500 1.00 1.00 O HETATM 1292 O1H RCY A 110 63.365 -11.341 4.549 1.00 1.00 O HETATM 1293 O1J RCY A 110 60.642 -8.931 1.012 1.00 1.00 O HETATM 1294 C1L RCY A 110 62.065 -14.018 2.648 1.00 1.00 C HETATM 1295 C1M RCY A 110 58.853 -11.003 3.698 1.00 1.00 C HETATM 1296 C1P RCY A 110 60.812 -13.164 2.879 1.00 1.00 C HETATM 1297 C1Q RCY A 110 62.657 -11.953 3.751 1.00 1.00 C HETATM 1298 N1R RCY A 110 61.139 -11.880 3.640 1.00 1.00 N HETATM 1299 C1S RCY A 110 63.138 -12.924 2.689 1.00 1.00 C HETATM 1300 C1U RCY A 110 60.195 -10.795 4.162 1.00 1.00 C HETATM 1301 C1V RCY A 110 59.792 -8.306 4.398 1.00 1.00 C HETATM 1302 N1V RCY A 110 60.045 -9.505 2.214 1.00 1.00 N HETATM 1303 C1W RCY A 110 58.772 -10.345 2.315 1.00 1.00 C HETATM 1304 C1X RCY A 110 60.551 -9.401 3.646 1.00 1.00 C HETATM 1305 C1Y RCY A 110 57.532 -9.451 2.216 1.00 1.00 C HETATM 1306 C1Z RCY A 110 58.773 -11.391 1.200 1.00 1.00 C HETATM 0 H1ZB RCY A 110 59.691 -11.977 1.251 1.00 1.00 H new HETATM 0 H1ZA RCY A 110 57.914 -12.051 1.320 1.00 1.00 H new HETATM 0 H1YB RCY A 110 56.637 -10.052 2.374 1.00 1.00 H new HETATM 0 H1YA RCY A 110 57.584 -8.671 2.976 1.00 1.00 H new HETATM 0 H1VB RCY A 110 60.125 -8.280 5.436 1.00 1.00 H new HETATM 0 H1VA RCY A 110 59.987 -7.341 3.930 1.00 1.00 H new HETATM 0 H1LA RCY A 110 62.206 -14.771 3.424 1.00 1.00 H new HETATM 0 H1CA RCY A 110 62.553 -9.896 3.021 1.00 1.00 H new HETATM 0 H1Z RCY A 110 58.715 -10.892 0.233 1.00 1.00 H new HETATM 0 H1Y RCY A 110 57.492 -8.993 1.228 1.00 1.00 H new HETATM 0 H1V RCY A 110 58.723 -8.516 4.365 1.00 1.00 H new HETATM 0 H1U RCY A 110 60.287 -10.858 5.246 1.00 1.00 H new HETATM 0 H1S RCY A 110 63.241 -12.433 1.721 1.00 1.00 H new HETATM 0 H1M RCY A 110 58.131 -10.559 4.383 1.00 1.00 H new HETATM 0 H1L RCY A 110 62.042 -14.544 1.694 1.00 1.00 H new HETATM 1309 C1C RCY A 121 61.333 3.224 -4.797 1.00 1.00 C HETATM 1310 O1G RCY A 121 63.154 -1.366 -2.959 1.00 1.00 O HETATM 1311 O1H RCY A 121 60.475 2.523 -2.989 1.00 1.00 O HETATM 1312 O1J RCY A 121 64.116 4.121 -4.077 1.00 1.00 O HETATM 1313 C1L RCY A 121 61.736 -0.295 -1.276 1.00 1.00 C HETATM 1314 C1M RCY A 121 63.787 0.500 -5.298 1.00 1.00 C HETATM 1315 C1P RCY A 121 62.420 -0.431 -2.642 1.00 1.00 C HETATM 1316 C1Q RCY A 121 61.252 1.635 -2.644 1.00 1.00 C HETATM 1317 N1R RCY A 121 62.077 0.741 -3.561 1.00 1.00 N HETATM 1318 C1S RCY A 121 61.568 1.227 -1.216 1.00 1.00 C HETATM 1319 C1U RCY A 121 62.458 0.968 -5.026 1.00 1.00 C HETATM 1320 C1V RCY A 121 62.593 2.644 -6.919 1.00 1.00 C HETATM 1321 N1V RCY A 121 63.810 2.857 -4.740 1.00 1.00 N HETATM 1322 C1W RCY A 121 64.730 1.651 -4.922 1.00 1.00 C HETATM 1323 C1X RCY A 121 62.503 2.447 -5.404 1.00 1.00 C HETATM 1324 C1Y RCY A 121 65.737 1.910 -6.046 1.00 1.00 C HETATM 1325 C1Z RCY A 121 65.453 1.369 -3.605 1.00 1.00 C HETATM 0 H1ZB RCY A 121 64.721 1.246 -2.807 1.00 1.00 H new HETATM 0 H1ZA RCY A 121 66.041 0.456 -3.701 1.00 1.00 H new HETATM 0 H1YB RCY A 121 66.328 1.011 -6.219 1.00 1.00 H new HETATM 0 H1YA RCY A 121 65.203 2.174 -6.959 1.00 1.00 H new HETATM 0 H1VB RCY A 121 61.672 2.295 -7.387 1.00 1.00 H new HETATM 0 H1VA RCY A 121 62.734 3.702 -7.141 1.00 1.00 H new HETATM 0 H1MA RCY A 121 64.012 -0.394 -4.716 1.00 1.00 H new HETATM 0 H1LA RCY A 121 60.783 -0.822 -1.232 1.00 1.00 H new HETATM 0 H1CB RCY A 121 60.393 2.807 -5.158 1.00 1.00 H new HETATM 0 H1CA RCY A 121 61.370 3.147 -3.710 1.00 1.00 H new HETATM 0 H1Z RCY A 121 66.113 2.203 -3.367 1.00 1.00 H new HETATM 0 H1Y RCY A 121 66.397 2.729 -5.761 1.00 1.00 H new HETATM 0 H1V RCY A 121 63.437 2.076 -7.310 1.00 1.00 H new HETATM 0 H1U RCY A 121 61.693 0.433 -5.589 1.00 1.00 H new HETATM 0 H1S RCY A 121 62.476 1.712 -0.857 1.00 1.00 H new HETATM 0 H1M RCY A 121 63.898 0.233 -6.349 1.00 1.00 H new HETATM 0 H1L RCY A 121 62.350 -0.679 -0.462 1.00 1.00 H new HETATM 0 H1C RCY A 121 61.401 4.272 -5.089 1.00 1.00 H new HETATM 1328 C1C RCY A 130 78.680 13.203 -0.961 1.00 1.00 C HETATM 1329 O1G RCY A 130 76.696 15.159 -2.940 1.00 1.00 O HETATM 1330 O1H RCY A 130 79.716 17.689 -0.337 1.00 1.00 O HETATM 1331 O1J RCY A 130 77.334 12.705 -3.608 1.00 1.00 O HETATM 1332 C1L RCY A 130 76.430 17.115 -1.494 1.00 1.00 C HETATM 1333 C1M RCY A 130 80.127 15.334 -3.618 1.00 1.00 C HETATM 1334 C1P RCY A 130 77.200 15.971 -2.166 1.00 1.00 C HETATM 1335 C1Q RCY A 130 78.717 17.083 -0.719 1.00 1.00 C HETATM 1336 N1R RCY A 130 78.671 15.964 -1.753 1.00 1.00 N HETATM 1337 C1S RCY A 130 77.294 17.314 -0.244 1.00 1.00 C HETATM 1338 C1U RCY A 130 79.812 15.070 -2.243 1.00 1.00 C HETATM 1339 C1V RCY A 130 80.681 12.700 -2.434 1.00 1.00 C HETATM 1340 N1V RCY A 130 78.538 13.515 -3.442 1.00 1.00 N HETATM 1341 C1W RCY A 130 79.161 14.479 -4.449 1.00 1.00 C HETATM 1342 C1X RCY A 130 79.451 13.586 -2.226 1.00 1.00 C HETATM 1343 C1Y RCY A 130 79.921 13.707 -5.531 1.00 1.00 C HETATM 1344 C1Z RCY A 130 78.058 15.335 -5.072 1.00 1.00 C HETATM 0 H1ZB RCY A 130 77.492 15.830 -4.283 1.00 1.00 H new HETATM 0 H1ZA RCY A 130 78.505 16.086 -5.724 1.00 1.00 H new HETATM 0 H1YB RCY A 130 80.428 14.410 -6.192 1.00 1.00 H new HETATM 0 H1YA RCY A 130 80.657 13.054 -5.063 1.00 1.00 H new HETATM 0 H1VB RCY A 130 81.352 12.803 -1.581 1.00 1.00 H new HETATM 0 H1VA RCY A 130 80.369 11.660 -2.527 1.00 1.00 H new HETATM 0 H1MA RCY A 130 80.007 16.393 -3.849 1.00 1.00 H new HETATM 0 H1LA RCY A 130 76.384 18.009 -2.116 1.00 1.00 H new HETATM 0 H1CB RCY A 130 79.291 13.416 -0.084 1.00 1.00 H new HETATM 0 H1CA RCY A 130 77.757 13.780 -0.909 1.00 1.00 H new HETATM 0 H1Z RCY A 130 77.390 14.700 -5.654 1.00 1.00 H new HETATM 0 H1Y RCY A 130 79.220 13.106 -6.110 1.00 1.00 H new HETATM 0 H1V RCY A 130 81.200 13.005 -3.343 1.00 1.00 H new HETATM 0 H1U RCY A 130 80.637 15.290 -1.565 1.00 1.00 H new HETATM 0 H1S RCY A 130 77.020 16.611 0.543 1.00 1.00 H new HETATM 0 H1M RCY A 130 81.163 15.075 -3.837 1.00 1.00 H new HETATM 0 H1L RCY A 130 75.403 16.841 -1.252 1.00 1.00 H new HETATM 0 H1C RCY A 130 78.442 12.140 -0.988 1.00 1.00 H new HETATM 1347 C1C RCY A 138 79.141 -1.798 -1.883 1.00 1.00 C HETATM 1348 O1G RCY A 138 77.943 -3.628 -0.841 1.00 1.00 O HETATM 1349 O1H RCY A 138 82.033 -4.285 1.427 1.00 1.00 O HETATM 1350 O1J RCY A 138 80.923 0.053 -0.313 1.00 1.00 O HETATM 1351 C1L RCY A 138 78.503 -4.347 1.430 1.00 1.00 C HETATM 1352 C1M RCY A 138 82.464 -3.317 -1.297 1.00 1.00 C HETATM 1353 C1P RCY A 138 78.804 -3.913 -0.010 1.00 1.00 C HETATM 1354 C1Q RCY A 138 80.881 -4.422 1.019 1.00 1.00 C HETATM 1355 N1R RCY A 138 80.307 -3.879 -0.284 1.00 1.00 N HETATM 1356 C1S RCY A 138 79.763 -5.167 1.726 1.00 1.00 C HETATM 1357 C1U RCY A 138 81.053 -3.421 -1.538 1.00 1.00 C HETATM 1358 C1V RCY A 138 81.179 -1.696 -3.387 1.00 1.00 C HETATM 1359 N1V RCY A 138 81.379 -1.181 -0.944 1.00 1.00 N HETATM 1360 C1W RCY A 138 82.694 -1.921 -0.706 1.00 1.00 C HETATM 1361 C1X RCY A 138 80.652 -2.017 -1.988 1.00 1.00 C HETATM 1362 C1Y RCY A 138 83.845 -1.214 -1.427 1.00 1.00 C HETATM 1363 C1Z RCY A 138 82.963 -1.992 0.797 1.00 1.00 C HETATM 0 H1ZB RCY A 138 82.108 -2.444 1.299 1.00 1.00 H new HETATM 0 H1ZA RCY A 138 83.852 -2.596 0.979 1.00 1.00 H new HETATM 0 H1YB RCY A 138 84.758 -1.799 -1.316 1.00 1.00 H new HETATM 0 H1YA RCY A 138 83.605 -1.114 -2.485 1.00 1.00 H new HETATM 0 H1VB RCY A 138 80.689 -2.341 -4.117 1.00 1.00 H new HETATM 0 H1MA RCY A 138 82.800 -4.092 -0.608 1.00 1.00 H new HETATM 0 H1LA RCY A 138 78.388 -3.500 2.106 1.00 1.00 H new HETATM 0 H1CB RCY A 138 78.624 -2.521 -2.514 1.00 1.00 H new HETATM 0 H1CA RCY A 138 78.825 -1.929 -0.848 1.00 1.00 H new HETATM 0 H1Z RCY A 138 83.122 -0.986 1.186 1.00 1.00 H new HETATM 0 H1Y RCY A 138 83.993 -0.225 -0.994 1.00 1.00 H new HETATM 0 H1V RCY A 138 82.255 -1.865 -3.418 1.00 1.00 H new HETATM 0 H1U RCY A 138 80.801 -4.170 -2.289 1.00 1.00 H new HETATM 0 H1S RCY A 138 79.669 -6.187 1.353 1.00 1.00 H new HETATM 0 H1M RCY A 138 83.028 -3.446 -2.221 1.00 1.00 H new HETATM 0 H1L RCY A 138 77.592 -4.940 1.505 1.00 1.00 H new HETATM 0 H1C RCY A 138 78.896 -0.788 -2.212 1.00 1.00 H new HETATM 1366 C1C RCY A 150 80.039 1.958 -6.696 1.00 1.00 C HETATM 1367 O1G RCY A 150 78.932 -2.046 -6.986 1.00 1.00 O HETATM 1368 O1H RCY A 150 83.496 -1.150 -6.168 1.00 1.00 O HETATM 1369 O1J RCY A 150 80.277 3.504 -4.123 1.00 1.00 O HETATM 1370 C1L RCY A 150 81.009 -2.999 -7.861 1.00 1.00 C HETATM 1371 C1M RCY A 150 81.316 -0.184 -3.962 1.00 1.00 C HETATM 1372 C1P RCY A 150 80.161 -2.036 -7.020 1.00 1.00 C HETATM 1373 C1Q RCY A 150 82.432 -1.412 -6.727 1.00 1.00 C HETATM 1374 N1R RCY A 150 81.034 -1.061 -6.231 1.00 1.00 N HETATM 1375 C1S RCY A 150 82.270 -2.147 -8.045 1.00 1.00 C HETATM 1376 C1U RCY A 150 80.623 -0.003 -5.205 1.00 1.00 C HETATM 1377 C1V RCY A 150 82.457 1.507 -6.081 1.00 1.00 C HETATM 1378 N1V RCY A 150 80.801 2.155 -4.318 1.00 1.00 N HETATM 1379 C1W RCY A 150 81.273 1.173 -3.248 1.00 1.00 C HETATM 1380 C1X RCY A 150 80.997 1.415 -5.634 1.00 1.00 C HETATM 1381 C1Y RCY A 150 82.667 1.560 -2.744 1.00 1.00 C HETATM 1382 C1Z RCY A 150 80.267 1.164 -2.098 1.00 1.00 C HETATM 0 H1ZB RCY A 150 79.272 0.945 -2.486 1.00 1.00 H new HETATM 0 H1ZA RCY A 150 80.549 0.400 -1.373 1.00 1.00 H new HETATM 0 H1YB RCY A 150 83.024 0.804 -2.045 1.00 1.00 H new HETATM 0 H1YA RCY A 150 83.354 1.626 -3.588 1.00 1.00 H new HETATM 0 H1VB RCY A 150 82.595 0.927 -6.993 1.00 1.00 H new HETATM 0 H1VA RCY A 150 82.714 2.549 -6.271 1.00 1.00 H new HETATM 0 H1LA RCY A 150 81.211 -3.937 -7.344 1.00 1.00 H new HETATM 0 H1Z RCY A 150 80.261 2.140 -1.613 1.00 1.00 H new HETATM 0 H1Y RCY A 150 82.617 2.525 -2.240 1.00 1.00 H new HETATM 0 H1V RCY A 150 83.103 1.111 -5.298 1.00 1.00 H new HETATM 0 H1U RCY A 150 79.543 -0.123 -5.113 1.00 1.00 H new HETATM 0 H1S RCY A 150 82.160 -1.451 -8.876 1.00 1.00 H new HETATM 0 H1M RCY A 150 82.345 -0.502 -4.132 1.00 1.00 H new HETATM 0 H1L RCY A 150 80.535 -3.253 -8.809 1.00 1.00 H new HETATM 0 H1C RCY A 150 80.339 2.968 -6.974 1.00 1.00 H new HETATM 1385 C1C RCY A 160 74.286 5.300 1.419 1.00 1.00 C HETATM 1386 O1G RCY A 160 76.764 8.552 4.081 1.00 1.00 O HETATM 1387 O1H RCY A 160 76.350 3.860 4.420 1.00 1.00 O HETATM 1388 O1J RCY A 160 75.655 4.597 -1.170 1.00 1.00 O HETATM 1389 C1L RCY A 160 76.524 7.025 5.978 1.00 1.00 C HETATM 1390 C1M RCY A 160 77.949 5.761 1.674 1.00 1.00 C HETATM 1391 C1P RCY A 160 76.611 7.404 4.494 1.00 1.00 C HETATM 1392 C1Q RCY A 160 76.204 5.069 4.599 1.00 1.00 C HETATM 1393 N1R RCY A 160 76.485 6.177 3.592 1.00 1.00 N HETATM 1394 C1S RCY A 160 75.708 5.732 5.870 1.00 1.00 C HETATM 1395 C1U RCY A 160 76.607 6.076 2.070 1.00 1.00 C HETATM 1396 C1V RCY A 160 76.008 3.621 2.221 1.00 1.00 C HETATM 1397 N1V RCY A 160 76.359 4.870 0.079 1.00 1.00 N HETATM 1398 C1W RCY A 160 77.848 5.151 0.270 1.00 1.00 C HETATM 1399 C1X RCY A 160 75.772 4.939 1.482 1.00 1.00 C HETATM 1400 C1Y RCY A 160 78.653 3.851 0.188 1.00 1.00 C HETATM 1401 C1Z RCY A 160 78.312 6.140 -0.800 1.00 1.00 C HETATM 0 H1ZB RCY A 160 77.688 7.033 -0.765 1.00 1.00 H new HETATM 0 H1ZA RCY A 160 79.351 6.415 -0.616 1.00 1.00 H new HETATM 0 H1YB RCY A 160 79.700 4.057 0.409 1.00 1.00 H new HETATM 0 H1YA RCY A 160 78.264 3.136 0.912 1.00 1.00 H new HETATM 0 H1MA RCY A 160 78.573 6.655 1.666 1.00 1.00 H new HETATM 0 H1LA RCY A 160 77.505 6.864 6.426 1.00 1.00 H new HETATM 0 H1CA RCY A 160 74.152 6.182 0.793 1.00 1.00 H new HETATM 0 H1Z RCY A 160 78.228 5.678 -1.784 1.00 1.00 H new HETATM 0 H1Y RCY A 160 78.569 3.434 -0.815 1.00 1.00 H new HETATM 0 H1V RCY A 160 77.076 3.402 2.243 1.00 1.00 H new HETATM 0 H1U RCY A 160 76.272 7.048 1.709 1.00 1.00 H new HETATM 0 H1S RCY A 160 74.640 5.941 5.817 1.00 1.00 H new HETATM 0 H1M RCY A 160 78.406 5.059 2.372 1.00 1.00 H new HETATM 0 H1L RCY A 160 76.022 7.787 6.575 1.00 1.00 H new HETATM 1404 C1C RCY A 168 73.247 -0.133 3.655 1.00 1.00 C HETATM 1405 O1G RCY A 168 75.544 4.087 1.311 1.00 1.00 O HETATM 1406 O1H RCY A 168 71.810 2.454 3.697 1.00 1.00 O HETATM 1407 O1J RCY A 168 74.981 -2.245 2.388 1.00 1.00 O HETATM 1408 C1L RCY A 168 73.867 5.159 2.735 1.00 1.00 C HETATM 1409 C1M RCY A 168 75.252 1.270 0.879 1.00 1.00 C HETATM 1410 C1P RCY A 168 74.523 3.989 1.991 1.00 1.00 C HETATM 1411 C1Q RCY A 168 72.547 3.155 3.005 1.00 1.00 C HETATM 1412 N1R RCY A 168 73.753 2.686 2.200 1.00 1.00 N HETATM 1413 C1S RCY A 168 72.421 4.653 2.796 1.00 1.00 C HETATM 1414 C1U RCY A 168 74.094 1.272 1.726 1.00 1.00 C HETATM 1415 C1V RCY A 168 75.527 0.966 3.791 1.00 1.00 C HETATM 1416 N1V RCY A 168 75.081 -0.819 2.092 1.00 1.00 N HETATM 1417 C1W RCY A 168 75.815 -0.156 0.929 1.00 1.00 C HETATM 1418 C1X RCY A 168 74.475 0.339 2.874 1.00 1.00 C HETATM 1419 C1Y RCY A 168 77.323 -0.130 1.192 1.00 1.00 C HETATM 1420 C1Z RCY A 168 75.506 -0.920 -0.359 1.00 1.00 C HETATM 0 H1ZB RCY A 168 74.426 -0.978 -0.497 1.00 1.00 H new HETATM 0 H1ZA RCY A 168 75.953 -0.400 -1.206 1.00 1.00 H new HETATM 0 H1YB RCY A 168 77.822 0.419 0.394 1.00 1.00 H new HETATM 0 H1YA RCY A 168 77.518 0.360 2.146 1.00 1.00 H new HETATM 0 H1VB RCY A 168 75.097 1.827 4.303 1.00 1.00 H new HETATM 0 H1VA RCY A 168 75.852 0.231 4.527 1.00 1.00 H new HETATM 0 H1MA RCY A 168 74.989 1.549 -0.141 1.00 1.00 H new HETATM 0 H1LA RCY A 168 74.296 5.317 3.724 1.00 1.00 H new HETATM 0 H1CB RCY A 168 72.728 0.730 4.074 1.00 1.00 H new HETATM 0 H1CA RCY A 168 72.575 -0.671 2.986 1.00 1.00 H new HETATM 0 H1Z RCY A 168 75.918 -1.927 -0.293 1.00 1.00 H new HETATM 0 H1Y RCY A 168 77.704 -1.151 1.224 1.00 1.00 H new HETATM 0 H1V RCY A 168 76.382 1.288 3.197 1.00 1.00 H new HETATM 0 H1U RCY A 168 73.192 0.934 1.216 1.00 1.00 H new HETATM 0 H1S RCY A 168 71.882 4.881 1.876 1.00 1.00 H new HETATM 0 H1M RCY A 168 75.990 1.993 1.227 1.00 1.00 H new HETATM 0 H1C RCY A 168 73.561 -0.794 4.462 1.00 1.00 H new HETATM 1423 C1C RCY A 173 67.716 6.314 -5.862 1.00 1.00 C HETATM 1424 O1G RCY A 173 67.018 9.454 -2.403 1.00 1.00 O HETATM 1425 O1H RCY A 173 69.746 8.445 -6.123 1.00 1.00 O HETATM 1426 O1J RCY A 173 70.659 6.082 -6.456 1.00 1.00 O HETATM 1427 C1L RCY A 173 67.878 10.794 -4.261 1.00 1.00 C HETATM 1428 C1M RCY A 173 69.732 6.625 -2.775 1.00 1.00 C HETATM 1429 C1P RCY A 173 67.708 9.523 -3.419 1.00 1.00 C HETATM 1430 C1Q RCY A 173 69.243 9.013 -5.155 1.00 1.00 C HETATM 1431 N1R RCY A 173 68.503 8.353 -3.998 1.00 1.00 N HETATM 1432 C1S RCY A 173 69.245 10.508 -4.893 1.00 1.00 C HETATM 1433 C1U RCY A 173 68.550 6.894 -3.542 1.00 1.00 C HETATM 1434 C1V RCY A 173 68.390 4.470 -4.258 1.00 1.00 C HETATM 1435 N1V RCY A 173 70.095 6.095 -5.110 1.00 1.00 N HETATM 1436 C1W RCY A 173 70.835 6.297 -3.789 1.00 1.00 C HETATM 1437 C1X RCY A 173 68.638 5.911 -4.709 1.00 1.00 C HETATM 1438 C1Y RCY A 173 71.572 5.016 -3.387 1.00 1.00 C HETATM 1439 C1Z RCY A 173 71.817 7.459 -3.938 1.00 1.00 C HETATM 0 H1ZB RCY A 173 71.283 8.345 -4.282 1.00 1.00 H new HETATM 0 H1ZA RCY A 173 72.283 7.667 -2.975 1.00 1.00 H new HETATM 0 H1YB RCY A 173 72.024 5.150 -2.404 1.00 1.00 H new HETATM 0 H1YA RCY A 173 70.866 4.186 -3.352 1.00 1.00 H new HETATM 0 H1VB RCY A 173 67.358 4.366 -3.922 1.00 1.00 H new HETATM 0 H1VA RCY A 173 68.570 3.792 -5.092 1.00 1.00 H new HETATM 0 H1CB RCY A 173 66.684 6.337 -5.512 1.00 1.00 H new HETATM 0 H1CA RCY A 173 67.998 7.302 -6.225 1.00 1.00 H new HETATM 0 H1Z RCY A 173 72.586 7.195 -4.664 1.00 1.00 H new HETATM 0 H1Y RCY A 173 72.351 4.800 -4.118 1.00 1.00 H new HETATM 0 H1V RCY A 173 69.065 4.224 -3.438 1.00 1.00 H new HETATM 0 H1U RCY A 173 67.630 6.761 -2.972 1.00 1.00 H new HETATM 0 H1S RCY A 173 70.058 10.792 -4.224 1.00 1.00 H new HETATM 0 H1L RCY A 173 67.880 11.700 -3.654 1.00 1.00 H new HETATM 0 H1C RCY A 173 67.808 5.590 -6.672 1.00 1.00 H new HETATM 1442 C1C RCY A 176 70.324 -2.392 -5.109 1.00 1.00 C HETATM 1443 O1G RCY A 176 68.831 1.247 -3.006 1.00 1.00 O HETATM 1444 O1H RCY A 176 70.209 0.938 -7.512 1.00 1.00 O HETATM 1445 O1J RCY A 176 72.570 -3.265 -3.303 1.00 1.00 O HETATM 1446 C1L RCY A 176 67.934 2.147 -5.097 1.00 1.00 C HETATM 1447 C1M RCY A 176 72.003 0.519 -3.559 1.00 1.00 C HETATM 1448 C1P RCY A 176 68.938 1.383 -4.224 1.00 1.00 C HETATM 1449 C1Q RCY A 176 69.782 1.366 -6.441 1.00 1.00 C HETATM 1450 N1R RCY A 176 70.086 0.812 -5.054 1.00 1.00 N HETATM 1451 C1S RCY A 176 68.851 2.550 -6.258 1.00 1.00 C HETATM 1452 C1U RCY A 176 71.245 -0.085 -4.617 1.00 1.00 C HETATM 1453 C1V RCY A 176 69.701 -1.209 -2.955 1.00 1.00 C HETATM 1454 N1V RCY A 176 72.071 -1.895 -3.384 1.00 1.00 N HETATM 1455 C1W RCY A 176 72.732 -0.627 -2.847 1.00 1.00 C HETATM 1456 C1X RCY A 176 70.777 -1.413 -4.024 1.00 1.00 C HETATM 1457 C1Y RCY A 176 72.544 -0.526 -1.331 1.00 1.00 C HETATM 1458 C1Z RCY A 176 74.218 -0.647 -3.206 1.00 1.00 C HETATM 0 H1ZB RCY A 176 74.331 -0.780 -4.282 1.00 1.00 H new HETATM 0 H1ZA RCY A 176 74.677 0.295 -2.907 1.00 1.00 H new HETATM 0 H1YB RCY A 176 72.947 0.423 -0.977 1.00 1.00 H new HETATM 0 H1YA RCY A 176 71.482 -0.581 -1.092 1.00 1.00 H new HETATM 0 H1VB RCY A 176 68.798 -0.811 -3.419 1.00 1.00 H new HETATM 0 H1VA RCY A 176 69.474 -2.164 -2.480 1.00 1.00 H new HETATM 0 H1MA RCY A 176 72.713 1.246 -3.954 1.00 1.00 H new HETATM 0 H1LA RCY A 176 67.101 1.522 -5.420 1.00 1.00 H new HETATM 0 H1CB RCY A 176 69.496 -1.957 -5.669 1.00 1.00 H new HETATM 0 H1CA RCY A 176 71.154 -2.594 -5.786 1.00 1.00 H new HETATM 0 H1Z RCY A 176 74.707 -1.470 -2.686 1.00 1.00 H new HETATM 0 H1Y RCY A 176 73.069 -1.348 -0.844 1.00 1.00 H new HETATM 0 H1V RCY A 176 70.063 -0.507 -2.204 1.00 1.00 H new HETATM 0 H1U RCY A 176 71.826 -0.235 -5.527 1.00 1.00 H new HETATM 0 H1S RCY A 176 69.407 3.459 -6.027 1.00 1.00 H new HETATM 0 H1M RCY A 176 71.350 1.054 -2.869 1.00 1.00 H new HETATM 0 H1L RCY A 176 67.506 3.009 -4.585 1.00 1.00 H new HETATM 0 H1C RCY A 176 69.999 -3.324 -4.646 1.00 1.00 H new HETATM 1461 C1C RCY A 187 79.036 3.064 -8.354 1.00 1.00 C HETATM 1462 O1G RCY A 187 74.737 2.494 -8.724 1.00 1.00 O HETATM 1463 O1H RCY A 187 78.318 0.672 -11.207 1.00 1.00 O HETATM 1464 O1J RCY A 187 76.926 4.409 -6.678 1.00 1.00 O HETATM 1465 C1L RCY A 187 75.205 2.338 -11.121 1.00 1.00 C HETATM 1466 C1M RCY A 187 76.536 0.622 -7.139 1.00 1.00 C HETATM 1467 C1P RCY A 187 75.502 2.156 -9.627 1.00 1.00 C HETATM 1468 C1Q RCY A 187 77.413 1.410 -10.818 1.00 1.00 C HETATM 1469 N1R RCY A 187 76.864 1.503 -9.400 1.00 1.00 N HETATM 1470 C1S RCY A 187 76.636 2.399 -11.667 1.00 1.00 C HETATM 1471 C1U RCY A 187 77.518 1.055 -8.091 1.00 1.00 C HETATM 1472 C1V RCY A 187 79.133 1.668 -6.240 1.00 1.00 C HETATM 1473 N1V RCY A 187 77.066 2.962 -6.811 1.00 1.00 N HETATM 1474 C1W RCY A 187 76.058 1.886 -6.413 1.00 1.00 C HETATM 1475 C1X RCY A 187 78.250 2.189 -7.375 1.00 1.00 C HETATM 1476 C1Y RCY A 187 76.071 1.673 -4.897 1.00 1.00 C HETATM 1477 C1Z RCY A 187 74.666 2.305 -6.886 1.00 1.00 C HETATM 0 H1ZB RCY A 187 74.692 2.509 -7.956 1.00 1.00 H new HETATM 0 H1ZA RCY A 187 73.957 1.502 -6.686 1.00 1.00 H new HETATM 0 H1YB RCY A 187 75.409 0.846 -4.640 1.00 1.00 H new HETATM 0 H1YA RCY A 187 77.085 1.441 -4.571 1.00 1.00 H new HETATM 0 H1MA RCY A 187 75.706 0.121 -7.637 1.00 1.00 H new HETATM 0 H1LA RCY A 187 74.634 1.508 -11.537 1.00 1.00 H new HETATM 0 H1CB RCY A 187 79.775 2.454 -8.874 1.00 1.00 H new HETATM 0 H1CA RCY A 187 78.352 3.503 -9.080 1.00 1.00 H new HETATM 0 H1Z RCY A 187 74.356 3.204 -6.353 1.00 1.00 H new HETATM 0 H1Y RCY A 187 75.729 2.580 -4.399 1.00 1.00 H new HETATM 0 H1V RCY A 187 78.536 1.052 -5.568 1.00 1.00 H new HETATM 0 H1U RCY A 187 78.203 0.262 -8.391 1.00 1.00 H new HETATM 0 H1S RCY A 187 77.050 3.404 -11.583 1.00 1.00 H new HETATM 0 H1M RCY A 187 76.964 -0.093 -6.436 1.00 1.00 H new HETATM 0 H1L RCY A 187 74.641 3.248 -11.327 1.00 1.00 H new HETATM 0 H1C RCY A 187 79.542 3.859 -7.806 1.00 1.00 H new