USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 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 30 HIS HD1 : A 30 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 37 HIS : no HD1:sc= -6.21! K(o=-11!,f=-12) USER MOD Set 1.2: A 54 GLN : amide:sc= -0.726 K(o=-11,f=-12!) USER MOD Set 1.3: A 55 ASN : amide:sc= -3.9! C(o=-11!,f=-11!) USER MOD Set 2.1: A 6 SER OG : rot 120:sc= -0.0138 USER MOD Set 2.2: A 21 LYS NZ :NH3+ -119:sc= -3.45! (180deg=-6.42!) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0674 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.42 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.425 K(o=-0.43,f=-4.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -113:sc= -1.9! (180deg=-4.59!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -136:sc= 0 (180deg=-0.143) USER MOD Single : A 24 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.104) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.147 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.0866 (180deg=-1.08) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 65 HIS : no HE2:sc= 0.0607 K(o=0.061,f=-0.63) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc=-0.00788 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.243 -10.989 12.198 1.00 0.00 N ATOM 2 CA GLY A 1 -34.086 -9.702 12.849 1.00 0.00 C ATOM 3 C GLY A 1 -33.216 -8.750 12.052 1.00 0.00 C ATOM 4 O GLY A 1 -33.033 -8.927 10.848 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.232 -11.301 12.279 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.988 -10.903 11.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.621 -11.687 12.654 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.068 -9.252 12.999 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.648 -9.849 13.836 1.00 0.00 H new ATOM 8 N SER A 2 -32.678 -7.738 12.725 1.00 0.00 N ATOM 9 CA SER A 2 -31.827 -6.752 12.071 1.00 0.00 C ATOM 10 C SER A 2 -30.464 -7.349 11.733 1.00 0.00 C ATOM 11 O SER A 2 -29.702 -7.728 12.623 1.00 0.00 O ATOM 12 CB SER A 2 -31.650 -5.524 12.967 1.00 0.00 C ATOM 13 OG SER A 2 -31.097 -5.884 14.221 1.00 0.00 O ATOM 0 H SER A 2 -32.817 -7.580 13.723 1.00 0.00 H new ATOM 0 HA SER A 2 -32.312 -6.449 11.143 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.001 -4.800 12.474 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.614 -5.037 13.117 1.00 0.00 H new ATOM 0 HG SER A 2 -30.409 -6.570 14.090 1.00 0.00 H new ATOM 19 N SER A 3 -30.164 -7.430 10.441 1.00 0.00 N ATOM 20 CA SER A 3 -28.896 -7.985 9.983 1.00 0.00 C ATOM 21 C SER A 3 -27.809 -6.914 9.966 1.00 0.00 C ATOM 22 O SER A 3 -28.038 -5.790 9.521 1.00 0.00 O ATOM 23 CB SER A 3 -29.053 -8.591 8.588 1.00 0.00 C ATOM 24 OG SER A 3 -29.083 -7.581 7.594 1.00 0.00 O ATOM 0 H SER A 3 -30.782 -7.118 9.692 1.00 0.00 H new ATOM 0 HA SER A 3 -28.599 -8.769 10.679 1.00 0.00 H new ATOM 0 HB2 SER A 3 -28.228 -9.276 8.391 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.971 -9.177 8.544 1.00 0.00 H new ATOM 0 HG SER A 3 -29.182 -7.994 6.711 1.00 0.00 H new ATOM 30 N GLY A 4 -26.626 -7.272 10.454 1.00 0.00 N ATOM 31 CA GLY A 4 -25.521 -6.331 10.485 1.00 0.00 C ATOM 32 C GLY A 4 -25.326 -5.621 9.160 1.00 0.00 C ATOM 33 O GLY A 4 -25.769 -6.104 8.118 1.00 0.00 O ATOM 0 H GLY A 4 -26.412 -8.196 10.828 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.699 -5.592 11.267 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.605 -6.860 10.749 1.00 0.00 H new ATOM 37 N SER A 5 -24.662 -4.471 9.199 1.00 0.00 N ATOM 38 CA SER A 5 -24.414 -3.690 7.993 1.00 0.00 C ATOM 39 C SER A 5 -23.004 -3.108 8.003 1.00 0.00 C ATOM 40 O SER A 5 -22.537 -2.600 9.023 1.00 0.00 O ATOM 41 CB SER A 5 -25.442 -2.564 7.869 1.00 0.00 C ATOM 42 OG SER A 5 -25.144 -1.500 8.757 1.00 0.00 O ATOM 0 H SER A 5 -24.286 -4.059 10.053 1.00 0.00 H new ATOM 0 HA SER A 5 -24.508 -4.354 7.134 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.457 -2.193 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.438 -2.952 8.083 1.00 0.00 H new ATOM 0 HG SER A 5 -25.815 -0.793 8.657 1.00 0.00 H new ATOM 48 N SER A 6 -22.330 -3.185 6.860 1.00 0.00 N ATOM 49 CA SER A 6 -20.972 -2.670 6.737 1.00 0.00 C ATOM 50 C SER A 6 -20.868 -1.685 5.576 1.00 0.00 C ATOM 51 O SER A 6 -20.997 -2.063 4.413 1.00 0.00 O ATOM 52 CB SER A 6 -19.984 -3.820 6.534 1.00 0.00 C ATOM 53 OG SER A 6 -20.079 -4.765 7.586 1.00 0.00 O ATOM 0 H SER A 6 -22.703 -3.599 6.006 1.00 0.00 H new ATOM 0 HA SER A 6 -20.724 -2.146 7.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.183 -4.311 5.581 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.969 -3.427 6.484 1.00 0.00 H new ATOM 0 HG SER A 6 -20.325 -5.640 7.219 1.00 0.00 H new ATOM 59 N GLY A 7 -20.633 -0.417 5.903 1.00 0.00 N ATOM 60 CA GLY A 7 -20.516 0.604 4.878 1.00 0.00 C ATOM 61 C GLY A 7 -19.128 1.211 4.821 1.00 0.00 C ATOM 62 O GLY A 7 -18.385 1.173 5.802 1.00 0.00 O ATOM 0 H GLY A 7 -20.522 -0.079 6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.760 0.171 3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.246 1.391 5.068 1.00 0.00 H new ATOM 66 N CYS A 8 -18.777 1.773 3.670 1.00 0.00 N ATOM 67 CA CYS A 8 -17.468 2.390 3.487 1.00 0.00 C ATOM 68 C CYS A 8 -17.425 3.773 4.129 1.00 0.00 C ATOM 69 O CYS A 8 -18.464 4.367 4.418 1.00 0.00 O ATOM 70 CB CYS A 8 -17.135 2.496 1.998 1.00 0.00 C ATOM 71 SG CYS A 8 -15.729 3.594 1.627 1.00 0.00 S ATOM 0 H CYS A 8 -19.381 1.814 2.849 1.00 0.00 H new ATOM 0 HA CYS A 8 -16.725 1.759 3.974 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -16.916 1.500 1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -18.015 2.857 1.465 1.00 0.00 H new ATOM 76 N GLN A 9 -16.216 4.280 4.349 1.00 0.00 N ATOM 77 CA GLN A 9 -16.038 5.593 4.957 1.00 0.00 C ATOM 78 C GLN A 9 -15.514 6.599 3.937 1.00 0.00 C ATOM 79 O GLN A 9 -15.873 7.775 3.971 1.00 0.00 O ATOM 80 CB GLN A 9 -15.075 5.503 6.143 1.00 0.00 C ATOM 81 CG GLN A 9 -15.773 5.312 7.480 1.00 0.00 C ATOM 82 CD GLN A 9 -16.778 4.177 7.456 1.00 0.00 C ATOM 83 OE1 GLN A 9 -16.427 3.027 7.193 1.00 0.00 O ATOM 84 NE2 GLN A 9 -18.038 4.496 7.733 1.00 0.00 N ATOM 0 H GLN A 9 -15.346 3.802 4.115 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.010 5.936 5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -14.387 4.673 5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -14.474 6.412 6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -15.027 5.116 8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -16.281 6.236 7.756 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.284 5.463 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.759 3.774 7.733 1.00 0.00 H new ATOM 93 N GLU A 10 -14.662 6.127 3.032 1.00 0.00 N ATOM 94 CA GLU A 10 -14.089 6.987 2.003 1.00 0.00 C ATOM 95 C GLU A 10 -15.182 7.592 1.127 1.00 0.00 C ATOM 96 O GLU A 10 -15.391 8.805 1.125 1.00 0.00 O ATOM 97 CB GLU A 10 -13.105 6.197 1.137 1.00 0.00 C ATOM 98 CG GLU A 10 -11.973 7.041 0.577 1.00 0.00 C ATOM 99 CD GLU A 10 -11.112 7.657 1.663 1.00 0.00 C ATOM 100 OE1 GLU A 10 -10.291 6.925 2.254 1.00 0.00 O ATOM 101 OE2 GLU A 10 -11.259 8.869 1.921 1.00 0.00 O ATOM 0 H GLU A 10 -14.354 5.156 2.991 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.556 7.798 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.683 5.386 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.648 5.739 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.349 6.423 -0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.389 7.834 -0.045 1.00 0.00 H new ATOM 108 N CYS A 11 -15.877 6.737 0.384 1.00 0.00 N ATOM 109 CA CYS A 11 -16.948 7.185 -0.497 1.00 0.00 C ATOM 110 C CYS A 11 -18.308 7.033 0.178 1.00 0.00 C ATOM 111 O CYS A 11 -19.349 7.265 -0.436 1.00 0.00 O ATOM 112 CB CYS A 11 -16.926 6.393 -1.806 1.00 0.00 C ATOM 113 SG CYS A 11 -17.197 4.604 -1.597 1.00 0.00 S ATOM 0 H CYS A 11 -15.717 5.730 0.375 1.00 0.00 H new ATOM 0 HA CYS A 11 -16.786 8.241 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -17.692 6.790 -2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -15.965 6.549 -2.297 1.00 0.00 H new ATOM 118 N LYS A 12 -18.291 6.642 1.448 1.00 0.00 N ATOM 119 CA LYS A 12 -19.521 6.459 2.210 1.00 0.00 C ATOM 120 C LYS A 12 -20.539 5.651 1.413 1.00 0.00 C ATOM 121 O LYS A 12 -21.710 6.021 1.326 1.00 0.00 O ATOM 122 CB LYS A 12 -20.116 7.817 2.589 1.00 0.00 C ATOM 123 CG LYS A 12 -19.525 8.407 3.858 1.00 0.00 C ATOM 124 CD LYS A 12 -18.272 9.215 3.567 1.00 0.00 C ATOM 125 CE LYS A 12 -18.602 10.673 3.285 1.00 0.00 C ATOM 126 NZ LYS A 12 -17.410 11.429 2.810 1.00 0.00 N ATOM 0 H LYS A 12 -17.438 6.446 1.972 1.00 0.00 H new ATOM 0 HA LYS A 12 -19.278 5.909 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.960 8.515 1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.193 7.710 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -20.265 9.044 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -19.288 7.605 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.592 9.152 4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.752 8.786 2.710 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -19.390 10.728 2.534 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.991 11.139 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.676 12.418 2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.667 11.398 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.054 11.000 1.932 1.00 0.00 H new ATOM 140 N LYS A 13 -20.087 4.544 0.834 1.00 0.00 N ATOM 141 CA LYS A 13 -20.959 3.680 0.046 1.00 0.00 C ATOM 142 C LYS A 13 -21.052 2.290 0.666 1.00 0.00 C ATOM 143 O LYS A 13 -20.090 1.796 1.256 1.00 0.00 O ATOM 144 CB LYS A 13 -20.444 3.576 -1.391 1.00 0.00 C ATOM 145 CG LYS A 13 -20.597 4.861 -2.187 1.00 0.00 C ATOM 146 CD LYS A 13 -21.923 4.904 -2.927 1.00 0.00 C ATOM 147 CE LYS A 13 -23.088 5.114 -1.972 1.00 0.00 C ATOM 148 NZ LYS A 13 -24.262 5.725 -2.654 1.00 0.00 N ATOM 0 H LYS A 13 -19.121 4.223 0.896 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.955 4.122 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -19.391 3.294 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.979 2.776 -1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -20.526 5.717 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -19.778 4.948 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -21.905 5.708 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.065 3.973 -3.476 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.378 4.157 -1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.772 5.755 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.034 5.852 -1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.993 6.649 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.580 5.101 -3.423 1.00 0.00 H new ATOM 162 N THR A 14 -22.216 1.662 0.528 1.00 0.00 N ATOM 163 CA THR A 14 -22.434 0.328 1.074 1.00 0.00 C ATOM 164 C THR A 14 -21.466 -0.680 0.466 1.00 0.00 C ATOM 165 O THR A 14 -21.518 -0.960 -0.732 1.00 0.00 O ATOM 166 CB THR A 14 -23.877 -0.150 0.829 1.00 0.00 C ATOM 167 OG1 THR A 14 -24.806 0.803 1.357 1.00 0.00 O ATOM 168 CG2 THR A 14 -24.114 -1.508 1.473 1.00 0.00 C ATOM 0 H THR A 14 -23.022 2.056 0.043 1.00 0.00 H new ATOM 0 HA THR A 14 -22.258 0.393 2.148 1.00 0.00 H new ATOM 0 HB THR A 14 -24.027 -0.244 -0.247 1.00 0.00 H new ATOM 0 HG1 THR A 14 -25.721 0.492 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 14 -25.140 -1.825 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 14 -23.426 -2.238 1.047 1.00 0.00 H new ATOM 0 HG23 THR A 14 -23.946 -1.435 2.548 1.00 0.00 H new ATOM 176 N ILE A 15 -20.583 -1.222 1.299 1.00 0.00 N ATOM 177 CA ILE A 15 -19.605 -2.201 0.842 1.00 0.00 C ATOM 178 C ILE A 15 -20.256 -3.559 0.602 1.00 0.00 C ATOM 179 O ILE A 15 -20.414 -4.355 1.528 1.00 0.00 O ATOM 180 CB ILE A 15 -18.458 -2.367 1.857 1.00 0.00 C ATOM 181 CG1 ILE A 15 -17.739 -1.033 2.069 1.00 0.00 C ATOM 182 CG2 ILE A 15 -17.481 -3.432 1.383 1.00 0.00 C ATOM 183 CD1 ILE A 15 -16.665 -1.088 3.133 1.00 0.00 C ATOM 0 H ILE A 15 -20.525 -1.000 2.293 1.00 0.00 H new ATOM 0 HA ILE A 15 -19.198 -1.825 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 15 -18.879 -2.687 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -17.290 -0.718 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -18.472 -0.274 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -16.676 -3.537 2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -18.003 -4.383 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -17.063 -3.139 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -16.198 -0.108 3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -17.111 -1.373 4.086 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -15.911 -1.823 2.851 1.00 0.00 H new ATOM 195 N MET A 16 -20.630 -3.817 -0.646 1.00 0.00 N ATOM 196 CA MET A 16 -21.262 -5.081 -1.009 1.00 0.00 C ATOM 197 C MET A 16 -20.513 -6.259 -0.394 1.00 0.00 C ATOM 198 O MET A 16 -19.314 -6.190 -0.123 1.00 0.00 O ATOM 199 CB MET A 16 -21.314 -5.232 -2.530 1.00 0.00 C ATOM 200 CG MET A 16 -22.252 -4.246 -3.207 1.00 0.00 C ATOM 201 SD MET A 16 -23.987 -4.574 -2.840 1.00 0.00 S ATOM 202 CE MET A 16 -24.175 -3.703 -1.287 1.00 0.00 C ATOM 0 H MET A 16 -20.507 -3.168 -1.424 1.00 0.00 H new ATOM 0 HA MET A 16 -22.279 -5.076 -0.618 1.00 0.00 H new ATOM 0 HB2 MET A 16 -20.310 -5.102 -2.934 1.00 0.00 H new ATOM 0 HB3 MET A 16 -21.628 -6.247 -2.776 1.00 0.00 H new ATOM 0 HG2 MET A 16 -22.002 -3.234 -2.887 1.00 0.00 H new ATOM 0 HG3 MET A 16 -22.099 -4.286 -4.285 1.00 0.00 H new ATOM 0 HE1 MET A 16 -24.351 -4.421 -0.486 1.00 0.00 H new ATOM 0 HE2 MET A 16 -23.267 -3.138 -1.075 1.00 0.00 H new ATOM 0 HE3 MET A 16 -25.021 -3.019 -1.354 1.00 0.00 H new ATOM 212 N PRO A 17 -21.234 -7.367 -0.169 1.00 0.00 N ATOM 213 CA PRO A 17 -20.657 -8.582 0.416 1.00 0.00 C ATOM 214 C PRO A 17 -19.695 -9.283 -0.537 1.00 0.00 C ATOM 215 O PRO A 17 -19.638 -8.964 -1.723 1.00 0.00 O ATOM 216 CB PRO A 17 -21.880 -9.462 0.685 1.00 0.00 C ATOM 217 CG PRO A 17 -22.904 -8.995 -0.292 1.00 0.00 C ATOM 218 CD PRO A 17 -22.667 -7.521 -0.468 1.00 0.00 C ATOM 0 HA PRO A 17 -20.067 -8.365 1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.648 -10.517 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -22.231 -9.350 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.807 -9.522 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -23.912 -9.187 0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -22.903 -7.194 -1.481 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -23.284 -6.931 0.210 1.00 0.00 H new ATOM 226 N GLY A 18 -18.940 -10.242 -0.009 1.00 0.00 N ATOM 227 CA GLY A 18 -17.991 -10.974 -0.827 1.00 0.00 C ATOM 228 C GLY A 18 -16.686 -10.225 -1.011 1.00 0.00 C ATOM 229 O GLY A 18 -15.610 -10.760 -0.742 1.00 0.00 O ATOM 0 H GLY A 18 -18.969 -10.525 0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.789 -11.941 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.434 -11.172 -1.803 1.00 0.00 H new ATOM 233 N THR A 19 -16.779 -8.982 -1.474 1.00 0.00 N ATOM 234 CA THR A 19 -15.597 -8.159 -1.697 1.00 0.00 C ATOM 235 C THR A 19 -14.776 -8.018 -0.421 1.00 0.00 C ATOM 236 O THR A 19 -15.308 -8.119 0.685 1.00 0.00 O ATOM 237 CB THR A 19 -15.978 -6.756 -2.207 1.00 0.00 C ATOM 238 OG1 THR A 19 -14.809 -6.067 -2.665 1.00 0.00 O ATOM 239 CG2 THR A 19 -16.653 -5.946 -1.110 1.00 0.00 C ATOM 0 H THR A 19 -17.661 -8.523 -1.702 1.00 0.00 H new ATOM 0 HA THR A 19 -14.999 -8.664 -2.456 1.00 0.00 H new ATOM 0 HB THR A 19 -16.678 -6.872 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 19 -15.060 -5.177 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.913 -4.959 -1.494 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.558 -6.458 -0.784 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.972 -5.839 -0.265 1.00 0.00 H new ATOM 247 N ARG A 20 -13.478 -7.782 -0.581 1.00 0.00 N ATOM 248 CA ARG A 20 -12.583 -7.628 0.559 1.00 0.00 C ATOM 249 C ARG A 20 -12.524 -6.171 1.010 1.00 0.00 C ATOM 250 O ARG A 20 -12.219 -5.277 0.221 1.00 0.00 O ATOM 251 CB ARG A 20 -11.179 -8.120 0.204 1.00 0.00 C ATOM 252 CG ARG A 20 -11.127 -9.592 -0.173 1.00 0.00 C ATOM 253 CD ARG A 20 -9.696 -10.068 -0.362 1.00 0.00 C ATOM 254 NE ARG A 20 -9.097 -9.532 -1.581 1.00 0.00 N ATOM 255 CZ ARG A 20 -7.915 -9.916 -2.050 1.00 0.00 C ATOM 256 NH1 ARG A 20 -7.209 -10.835 -1.405 1.00 0.00 N ATOM 257 NH2 ARG A 20 -7.437 -9.381 -3.166 1.00 0.00 N ATOM 0 H ARG A 20 -13.023 -7.693 -1.489 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.974 -8.230 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.794 -7.527 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.517 -7.947 1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.609 -10.185 0.604 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.690 -9.753 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.098 -9.768 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.678 -11.157 -0.398 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.615 -8.824 -2.101 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.573 -11.249 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.302 -11.128 -1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.977 -8.674 -3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.529 -9.677 -3.525 1.00 0.00 H new ATOM 271 N LYS A 21 -12.817 -5.939 2.285 1.00 0.00 N ATOM 272 CA LYS A 21 -12.797 -4.592 2.843 1.00 0.00 C ATOM 273 C LYS A 21 -11.778 -4.487 3.973 1.00 0.00 C ATOM 274 O LYS A 21 -11.246 -5.495 4.438 1.00 0.00 O ATOM 275 CB LYS A 21 -14.187 -4.211 3.358 1.00 0.00 C ATOM 276 CG LYS A 21 -14.580 -4.930 4.637 1.00 0.00 C ATOM 277 CD LYS A 21 -16.071 -4.812 4.907 1.00 0.00 C ATOM 278 CE LYS A 21 -16.474 -5.584 6.154 1.00 0.00 C ATOM 279 NZ LYS A 21 -17.953 -5.635 6.321 1.00 0.00 N ATOM 0 H LYS A 21 -13.071 -6.667 2.952 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.508 -3.901 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.219 -3.135 3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.924 -4.431 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.305 -5.982 4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.023 -4.513 5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.338 -3.762 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.628 -5.188 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.080 -6.599 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.025 -5.117 7.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.217 -5.175 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.409 -5.139 5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.267 -6.626 6.335 1.00 0.00 H new ATOM 293 N MET A 22 -11.511 -3.260 4.410 1.00 0.00 N ATOM 294 CA MET A 22 -10.557 -3.024 5.488 1.00 0.00 C ATOM 295 C MET A 22 -11.259 -2.471 6.724 1.00 0.00 C ATOM 296 O MET A 22 -11.697 -1.321 6.737 1.00 0.00 O ATOM 297 CB MET A 22 -9.466 -2.054 5.029 1.00 0.00 C ATOM 298 CG MET A 22 -8.637 -2.578 3.868 1.00 0.00 C ATOM 299 SD MET A 22 -7.882 -4.177 4.218 1.00 0.00 S ATOM 300 CE MET A 22 -6.678 -3.717 5.462 1.00 0.00 C ATOM 0 H MET A 22 -11.941 -2.415 4.035 1.00 0.00 H new ATOM 0 HA MET A 22 -10.098 -3.978 5.749 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.929 -1.111 4.738 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.805 -1.839 5.869 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.270 -2.665 2.985 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.856 -1.856 3.630 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.730 -4.211 5.251 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.535 -2.636 5.448 1.00 0.00 H new ATOM 0 HE3 MET A 22 -7.035 -4.023 6.445 1.00 0.00 H new ATOM 310 N GLU A 23 -11.362 -3.297 7.760 1.00 0.00 N ATOM 311 CA GLU A 23 -12.012 -2.889 9.000 1.00 0.00 C ATOM 312 C GLU A 23 -11.008 -2.251 9.956 1.00 0.00 C ATOM 313 O GLU A 23 -10.091 -2.913 10.443 1.00 0.00 O ATOM 314 CB GLU A 23 -12.679 -4.091 9.671 1.00 0.00 C ATOM 315 CG GLU A 23 -14.038 -4.439 9.086 1.00 0.00 C ATOM 316 CD GLU A 23 -14.842 -5.358 9.985 1.00 0.00 C ATOM 317 OE1 GLU A 23 -15.104 -4.976 11.144 1.00 0.00 O ATOM 318 OE2 GLU A 23 -15.209 -6.461 9.527 1.00 0.00 O ATOM 0 H GLU A 23 -11.004 -4.252 7.766 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.774 -2.150 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.022 -4.956 9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.793 -3.885 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -14.601 -3.522 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -13.900 -4.916 8.115 1.00 0.00 H new ATOM 325 N TYR A 24 -11.189 -0.962 10.219 1.00 0.00 N ATOM 326 CA TYR A 24 -10.298 -0.232 11.114 1.00 0.00 C ATOM 327 C TYR A 24 -11.091 0.668 12.057 1.00 0.00 C ATOM 328 O TYR A 24 -11.839 1.542 11.619 1.00 0.00 O ATOM 329 CB TYR A 24 -9.304 0.605 10.308 1.00 0.00 C ATOM 330 CG TYR A 24 -8.064 0.986 11.084 1.00 0.00 C ATOM 331 CD1 TYR A 24 -8.155 1.720 12.260 1.00 0.00 C ATOM 332 CD2 TYR A 24 -6.801 0.613 10.640 1.00 0.00 C ATOM 333 CE1 TYR A 24 -7.024 2.071 12.972 1.00 0.00 C ATOM 334 CE2 TYR A 24 -5.665 0.959 11.346 1.00 0.00 C ATOM 335 CZ TYR A 24 -5.782 1.688 12.512 1.00 0.00 C ATOM 336 OH TYR A 24 -4.653 2.035 13.217 1.00 0.00 O ATOM 0 H TYR A 24 -11.944 -0.401 9.826 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.749 -0.960 11.711 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.009 0.047 9.419 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.801 1.513 9.965 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.126 2.021 12.624 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.706 0.043 9.728 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.112 2.642 13.884 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.691 0.661 10.987 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.894 1.500 12.904 1.00 0.00 H new ATOM 346 N LYS A 25 -10.922 0.447 13.357 1.00 0.00 N ATOM 347 CA LYS A 25 -11.618 1.237 14.365 1.00 0.00 C ATOM 348 C LYS A 25 -13.130 1.111 14.206 1.00 0.00 C ATOM 349 O LYS A 25 -13.876 2.040 14.514 1.00 0.00 O ATOM 350 CB LYS A 25 -11.205 2.707 14.265 1.00 0.00 C ATOM 351 CG LYS A 25 -9.928 3.033 15.019 1.00 0.00 C ATOM 352 CD LYS A 25 -9.288 4.313 14.507 1.00 0.00 C ATOM 353 CE LYS A 25 -9.802 5.532 15.258 1.00 0.00 C ATOM 354 NZ LYS A 25 -11.029 6.093 14.629 1.00 0.00 N ATOM 0 H LYS A 25 -10.308 -0.274 13.737 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.340 0.854 15.347 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.074 2.968 13.215 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.013 3.330 14.649 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.148 3.135 16.082 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.224 2.207 14.917 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.205 4.248 14.614 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.497 4.425 13.443 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.016 5.259 16.291 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.025 6.296 15.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.857 7.081 14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.272 5.536 13.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.816 6.055 15.308 1.00 0.00 H new ATOM 368 N GLY A 26 -13.576 -0.045 13.723 1.00 0.00 N ATOM 369 CA GLY A 26 -14.997 -0.271 13.534 1.00 0.00 C ATOM 370 C GLY A 26 -15.455 0.065 12.128 1.00 0.00 C ATOM 371 O GLY A 26 -16.307 -0.621 11.565 1.00 0.00 O ATOM 0 H GLY A 26 -12.979 -0.829 13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.228 -1.315 13.748 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.556 0.332 14.249 1.00 0.00 H new ATOM 375 N SER A 27 -14.889 1.126 11.561 1.00 0.00 N ATOM 376 CA SER A 27 -15.248 1.556 10.215 1.00 0.00 C ATOM 377 C SER A 27 -14.602 0.655 9.166 1.00 0.00 C ATOM 378 O SER A 27 -13.648 -0.066 9.455 1.00 0.00 O ATOM 379 CB SER A 27 -14.822 3.007 9.989 1.00 0.00 C ATOM 380 OG SER A 27 -15.661 3.902 10.699 1.00 0.00 O ATOM 0 H SER A 27 -14.180 1.703 12.013 1.00 0.00 H new ATOM 0 HA SER A 27 -16.331 1.483 10.114 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.789 3.140 10.310 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.857 3.238 8.924 1.00 0.00 H new ATOM 0 HG SER A 27 -15.366 4.823 10.539 1.00 0.00 H new ATOM 386 N SER A 28 -15.130 0.703 7.948 1.00 0.00 N ATOM 387 CA SER A 28 -14.609 -0.111 6.856 1.00 0.00 C ATOM 388 C SER A 28 -14.208 0.763 5.671 1.00 0.00 C ATOM 389 O SER A 28 -14.670 1.896 5.537 1.00 0.00 O ATOM 390 CB SER A 28 -15.651 -1.140 6.416 1.00 0.00 C ATOM 391 OG SER A 28 -15.914 -2.074 7.449 1.00 0.00 O ATOM 0 H SER A 28 -15.919 1.297 7.692 1.00 0.00 H new ATOM 0 HA SER A 28 -13.723 -0.634 7.216 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.574 -0.631 6.138 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.296 -1.665 5.529 1.00 0.00 H new ATOM 0 HG SER A 28 -16.585 -2.720 7.143 1.00 0.00 H new ATOM 397 N TRP A 29 -13.347 0.227 4.814 1.00 0.00 N ATOM 398 CA TRP A 29 -12.883 0.957 3.639 1.00 0.00 C ATOM 399 C TRP A 29 -12.720 0.021 2.447 1.00 0.00 C ATOM 400 O TRP A 29 -12.060 -1.015 2.543 1.00 0.00 O ATOM 401 CB TRP A 29 -11.557 1.657 3.939 1.00 0.00 C ATOM 402 CG TRP A 29 -11.722 2.944 4.690 1.00 0.00 C ATOM 403 CD1 TRP A 29 -11.728 4.204 4.165 1.00 0.00 C ATOM 404 CD2 TRP A 29 -11.903 3.094 6.103 1.00 0.00 C ATOM 405 NE1 TRP A 29 -11.901 5.130 5.166 1.00 0.00 N ATOM 406 CE2 TRP A 29 -12.012 4.474 6.364 1.00 0.00 C ATOM 407 CE3 TRP A 29 -11.985 2.198 7.172 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -12.198 4.976 7.649 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -12.170 2.697 8.447 1.00 0.00 C ATOM 410 CH2 TRP A 29 -12.275 4.076 8.677 1.00 0.00 C ATOM 0 H TRP A 29 -12.956 -0.710 4.910 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.633 1.707 3.388 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -10.923 0.986 4.518 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -11.039 1.856 3.001 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.614 4.439 3.117 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -11.940 6.141 5.038 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -11.905 1.134 7.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -12.279 6.038 7.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -12.235 2.013 9.280 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -12.419 4.435 9.685 1.00 0.00 H new ATOM 421 N HIS A 30 -13.323 0.392 1.322 1.00 0.00 N ATOM 422 CA HIS A 30 -13.243 -0.415 0.109 1.00 0.00 C ATOM 423 C HIS A 30 -11.794 -0.775 -0.209 1.00 0.00 C ATOM 424 O HIS A 30 -10.876 -0.017 0.098 1.00 0.00 O ATOM 425 CB HIS A 30 -13.865 0.333 -1.069 1.00 0.00 C ATOM 426 CG HIS A 30 -15.355 0.201 -1.144 1.00 0.00 C ATOM 427 ND1 HIS A 30 -16.219 1.232 -0.840 1.00 0.00 N ATOM 428 CD2 HIS A 30 -16.134 -0.850 -1.491 1.00 0.00 C ATOM 429 CE1 HIS A 30 -17.464 0.821 -0.996 1.00 0.00 C ATOM 430 NE2 HIS A 30 -17.441 -0.439 -1.391 1.00 0.00 N ATOM 0 H HIS A 30 -13.872 1.246 1.225 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.800 -1.337 0.278 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.605 1.389 -0.996 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.429 -0.039 -1.996 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.792 -1.830 -1.791 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -18.351 1.414 -0.829 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -18.260 -1.013 -1.589 1.00 0.00 H new ATOM 438 N GLU A 31 -11.600 -1.937 -0.826 1.00 0.00 N ATOM 439 CA GLU A 31 -10.263 -2.396 -1.183 1.00 0.00 C ATOM 440 C GLU A 31 -9.549 -1.368 -2.056 1.00 0.00 C ATOM 441 O GLU A 31 -8.323 -1.372 -2.165 1.00 0.00 O ATOM 442 CB GLU A 31 -10.340 -3.737 -1.916 1.00 0.00 C ATOM 443 CG GLU A 31 -10.895 -3.630 -3.326 1.00 0.00 C ATOM 444 CD GLU A 31 -11.236 -4.981 -3.924 1.00 0.00 C ATOM 445 OE1 GLU A 31 -10.342 -5.852 -3.966 1.00 0.00 O ATOM 446 OE2 GLU A 31 -12.395 -5.168 -4.349 1.00 0.00 O ATOM 0 H GLU A 31 -12.350 -2.576 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.693 -2.524 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.343 -4.175 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.964 -4.421 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.789 -3.006 -3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.165 -3.129 -3.962 1.00 0.00 H new ATOM 453 N THR A 32 -10.327 -0.486 -2.678 1.00 0.00 N ATOM 454 CA THR A 32 -9.771 0.547 -3.542 1.00 0.00 C ATOM 455 C THR A 32 -9.782 1.906 -2.851 1.00 0.00 C ATOM 456 O THR A 32 -9.127 2.848 -3.300 1.00 0.00 O ATOM 457 CB THR A 32 -10.551 0.651 -4.866 1.00 0.00 C ATOM 458 OG1 THR A 32 -11.909 1.025 -4.607 1.00 0.00 O ATOM 459 CG2 THR A 32 -10.518 -0.670 -5.619 1.00 0.00 C ATOM 0 H THR A 32 -11.344 -0.467 -2.599 1.00 0.00 H new ATOM 0 HA THR A 32 -8.742 0.260 -3.757 1.00 0.00 H new ATOM 0 HB THR A 32 -10.076 1.414 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.397 1.091 -5.454 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.075 -0.572 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.485 -0.937 -5.841 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.970 -1.450 -5.006 1.00 0.00 H new ATOM 467 N CYS A 33 -10.528 2.002 -1.756 1.00 0.00 N ATOM 468 CA CYS A 33 -10.624 3.246 -1.002 1.00 0.00 C ATOM 469 C CYS A 33 -9.552 3.309 0.082 1.00 0.00 C ATOM 470 O CYS A 33 -9.165 4.390 0.526 1.00 0.00 O ATOM 471 CB CYS A 33 -12.012 3.379 -0.371 1.00 0.00 C ATOM 472 SG CYS A 33 -13.312 3.898 -1.537 1.00 0.00 S ATOM 0 H CYS A 33 -11.075 1.232 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.466 4.074 -1.693 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.293 2.422 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -11.961 4.100 0.444 1.00 0.00 H new ATOM 477 N PHE A 34 -9.077 2.142 0.505 1.00 0.00 N ATOM 478 CA PHE A 34 -8.050 2.064 1.537 1.00 0.00 C ATOM 479 C PHE A 34 -6.663 2.294 0.944 1.00 0.00 C ATOM 480 O PHE A 34 -5.651 1.946 1.553 1.00 0.00 O ATOM 481 CB PHE A 34 -8.100 0.702 2.233 1.00 0.00 C ATOM 482 CG PHE A 34 -7.296 0.647 3.501 1.00 0.00 C ATOM 483 CD1 PHE A 34 -7.750 1.270 4.652 1.00 0.00 C ATOM 484 CD2 PHE A 34 -6.087 -0.028 3.541 1.00 0.00 C ATOM 485 CE1 PHE A 34 -7.012 1.221 5.820 1.00 0.00 C ATOM 486 CE2 PHE A 34 -5.344 -0.080 4.706 1.00 0.00 C ATOM 487 CZ PHE A 34 -5.809 0.544 5.847 1.00 0.00 C ATOM 0 H PHE A 34 -9.387 1.238 0.149 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.246 2.847 2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.138 0.456 2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.734 -0.062 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.691 1.800 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.720 -0.519 2.652 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.376 1.712 6.710 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.402 -0.608 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.232 0.502 6.759 1.00 0.00 H new ATOM 497 N ILE A 35 -6.626 2.882 -0.247 1.00 0.00 N ATOM 498 CA ILE A 35 -5.364 3.159 -0.922 1.00 0.00 C ATOM 499 C ILE A 35 -4.469 4.051 -0.069 1.00 0.00 C ATOM 500 O ILE A 35 -4.904 4.598 0.944 1.00 0.00 O ATOM 501 CB ILE A 35 -5.593 3.835 -2.287 1.00 0.00 C ATOM 502 CG1 ILE A 35 -6.499 5.058 -2.129 1.00 0.00 C ATOM 503 CG2 ILE A 35 -6.196 2.846 -3.274 1.00 0.00 C ATOM 504 CD1 ILE A 35 -5.759 6.307 -1.704 1.00 0.00 C ATOM 0 H ILE A 35 -7.455 3.176 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.872 2.199 -1.079 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.631 4.167 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.005 5.250 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.272 4.835 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.352 3.339 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.517 2.003 -3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.151 2.487 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.463 7.134 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.275 6.134 -0.743 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.005 6.555 -2.451 1.00 0.00 H new ATOM 516 N CYS A 36 -3.216 4.195 -0.488 1.00 0.00 N ATOM 517 CA CYS A 36 -2.257 5.022 0.236 1.00 0.00 C ATOM 518 C CYS A 36 -2.564 6.504 0.044 1.00 0.00 C ATOM 519 O CYS A 36 -3.364 6.878 -0.815 1.00 0.00 O ATOM 520 CB CYS A 36 -0.833 4.719 -0.234 1.00 0.00 C ATOM 521 SG CYS A 36 0.466 5.338 0.883 1.00 0.00 S ATOM 0 H CYS A 36 -2.841 3.750 -1.325 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.339 4.786 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.720 3.640 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.687 5.157 -1.222 1.00 0.00 H new ATOM 526 N HIS A 37 -1.923 7.345 0.851 1.00 0.00 N ATOM 527 CA HIS A 37 -2.127 8.787 0.769 1.00 0.00 C ATOM 528 C HIS A 37 -0.972 9.458 0.032 1.00 0.00 C ATOM 529 O HIS A 37 -1.091 10.594 -0.425 1.00 0.00 O ATOM 530 CB HIS A 37 -2.268 9.383 2.170 1.00 0.00 C ATOM 531 CG HIS A 37 -3.653 9.279 2.729 1.00 0.00 C ATOM 532 ND1 HIS A 37 -4.362 10.367 3.192 1.00 0.00 N ATOM 533 CD2 HIS A 37 -4.462 8.206 2.896 1.00 0.00 C ATOM 534 CE1 HIS A 37 -5.546 9.969 3.622 1.00 0.00 C ATOM 535 NE2 HIS A 37 -5.632 8.662 3.452 1.00 0.00 N ATOM 0 H HIS A 37 -1.259 7.053 1.568 1.00 0.00 H new ATOM 0 HA HIS A 37 -3.045 8.968 0.211 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -1.575 8.877 2.842 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.975 10.432 2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.230 7.183 2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.313 10.604 4.041 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -6.437 8.085 3.694 1.00 0.00 H new ATOM 544 N ARG A 38 0.145 8.747 -0.079 1.00 0.00 N ATOM 545 CA ARG A 38 1.322 9.274 -0.759 1.00 0.00 C ATOM 546 C ARG A 38 1.422 8.724 -2.179 1.00 0.00 C ATOM 547 O ARG A 38 1.468 9.483 -3.148 1.00 0.00 O ATOM 548 CB ARG A 38 2.589 8.926 0.024 1.00 0.00 C ATOM 549 CG ARG A 38 3.860 9.490 -0.590 1.00 0.00 C ATOM 550 CD ARG A 38 4.909 9.782 0.471 1.00 0.00 C ATOM 551 NE ARG A 38 5.990 10.618 -0.045 1.00 0.00 N ATOM 552 CZ ARG A 38 6.791 11.344 0.728 1.00 0.00 C ATOM 553 NH1 ARG A 38 6.633 11.335 2.045 1.00 0.00 N ATOM 554 NH2 ARG A 38 7.752 12.079 0.185 1.00 0.00 N ATOM 0 H ARG A 38 0.260 7.804 0.293 1.00 0.00 H new ATOM 0 HA ARG A 38 1.223 10.358 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.491 9.301 1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.678 7.842 0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.261 8.781 -1.314 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.627 10.405 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.439 10.280 1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.321 8.843 0.841 1.00 0.00 H new ATOM 0 HE ARG A 38 6.138 10.646 -1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.896 10.770 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.249 11.893 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.877 12.088 -0.827 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.366 12.636 0.780 1.00 0.00 H new ATOM 568 N CYS A 39 1.455 7.401 -2.294 1.00 0.00 N ATOM 569 CA CYS A 39 1.551 6.748 -3.594 1.00 0.00 C ATOM 570 C CYS A 39 0.164 6.507 -4.185 1.00 0.00 C ATOM 571 O CYS A 39 0.029 6.193 -5.367 1.00 0.00 O ATOM 572 CB CYS A 39 2.301 5.421 -3.469 1.00 0.00 C ATOM 573 SG CYS A 39 1.554 4.253 -2.287 1.00 0.00 S ATOM 0 H CYS A 39 1.417 6.759 -1.502 1.00 0.00 H new ATOM 0 HA CYS A 39 2.103 7.407 -4.263 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.348 4.948 -4.450 1.00 0.00 H new ATOM 0 HB3 CYS A 39 3.328 5.624 -3.164 1.00 0.00 H new ATOM 578 N GLN A 40 -0.861 6.656 -3.353 1.00 0.00 N ATOM 579 CA GLN A 40 -2.237 6.454 -3.793 1.00 0.00 C ATOM 580 C GLN A 40 -2.421 5.059 -4.381 1.00 0.00 C ATOM 581 O GLN A 40 -3.039 4.896 -5.432 1.00 0.00 O ATOM 582 CB GLN A 40 -2.624 7.512 -4.827 1.00 0.00 C ATOM 583 CG GLN A 40 -2.897 8.881 -4.224 1.00 0.00 C ATOM 584 CD GLN A 40 -4.266 8.973 -3.580 1.00 0.00 C ATOM 585 OE1 GLN A 40 -5.246 8.436 -4.098 1.00 0.00 O ATOM 586 NE2 GLN A 40 -4.342 9.656 -2.444 1.00 0.00 N ATOM 0 H GLN A 40 -0.765 6.916 -2.371 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.888 6.550 -2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.823 7.601 -5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.512 7.177 -5.363 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.134 9.104 -3.479 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.814 9.640 -5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.505 10.085 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.238 9.752 -1.965 1.00 0.00 H new ATOM 595 N GLN A 41 -1.879 4.057 -3.697 1.00 0.00 N ATOM 596 CA GLN A 41 -1.983 2.676 -4.153 1.00 0.00 C ATOM 597 C GLN A 41 -2.703 1.815 -3.122 1.00 0.00 C ATOM 598 O GLN A 41 -2.572 2.010 -1.913 1.00 0.00 O ATOM 599 CB GLN A 41 -0.592 2.103 -4.433 1.00 0.00 C ATOM 600 CG GLN A 41 0.165 2.848 -5.521 1.00 0.00 C ATOM 601 CD GLN A 41 1.314 2.039 -6.090 1.00 0.00 C ATOM 602 OE1 GLN A 41 1.139 0.887 -6.489 1.00 0.00 O ATOM 603 NE2 GLN A 41 2.498 2.638 -6.130 1.00 0.00 N ATOM 0 H GLN A 41 -1.363 4.176 -2.825 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.564 2.667 -5.075 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.007 2.126 -3.514 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.691 1.057 -4.722 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.524 3.109 -6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.550 3.784 -5.115 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.598 3.594 -5.789 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.308 2.142 -6.502 1.00 0.00 H new ATOM 612 N PRO A 42 -3.483 0.838 -3.607 1.00 0.00 N ATOM 613 CA PRO A 42 -4.240 -0.074 -2.743 1.00 0.00 C ATOM 614 C PRO A 42 -3.335 -1.039 -1.985 1.00 0.00 C ATOM 615 O PRO A 42 -3.156 -2.187 -2.394 1.00 0.00 O ATOM 616 CB PRO A 42 -5.131 -0.837 -3.727 1.00 0.00 C ATOM 617 CG PRO A 42 -4.401 -0.776 -5.024 1.00 0.00 C ATOM 618 CD PRO A 42 -3.687 0.547 -5.036 1.00 0.00 C ATOM 0 HA PRO A 42 -4.794 0.461 -1.972 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.283 -1.868 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.117 -0.379 -3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.695 -1.601 -5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.091 -0.855 -5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.740 0.488 -5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.282 1.320 -5.523 1.00 0.00 H new ATOM 626 N ILE A 43 -2.768 -0.567 -0.881 1.00 0.00 N ATOM 627 CA ILE A 43 -1.883 -1.390 -0.065 1.00 0.00 C ATOM 628 C ILE A 43 -2.375 -2.832 -0.003 1.00 0.00 C ATOM 629 O ILE A 43 -1.739 -3.740 -0.537 1.00 0.00 O ATOM 630 CB ILE A 43 -1.762 -0.838 1.368 1.00 0.00 C ATOM 631 CG1 ILE A 43 -1.205 0.587 1.344 1.00 0.00 C ATOM 632 CG2 ILE A 43 -0.879 -1.744 2.212 1.00 0.00 C ATOM 633 CD1 ILE A 43 -1.491 1.369 2.606 1.00 0.00 C ATOM 0 H ILE A 43 -2.905 0.381 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.902 -1.364 -0.539 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.755 -0.812 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.127 0.544 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.628 1.120 0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.803 -1.340 3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.315 -2.742 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.115 -1.800 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.067 2.369 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.569 1.443 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.044 0.859 3.459 1.00 0.00 H new ATOM 645 N GLY A 44 -3.514 -3.035 0.652 1.00 0.00 N ATOM 646 CA GLY A 44 -4.074 -4.368 0.770 1.00 0.00 C ATOM 647 C GLY A 44 -3.713 -5.034 2.083 1.00 0.00 C ATOM 648 O GLY A 44 -4.460 -4.950 3.058 1.00 0.00 O ATOM 0 H GLY A 44 -4.059 -2.300 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.159 -4.312 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.717 -4.983 -0.056 1.00 0.00 H new ATOM 652 N THR A 45 -2.563 -5.701 2.110 1.00 0.00 N ATOM 653 CA THR A 45 -2.105 -6.387 3.311 1.00 0.00 C ATOM 654 C THR A 45 -0.648 -6.054 3.613 1.00 0.00 C ATOM 655 O THR A 45 -0.270 -5.865 4.769 1.00 0.00 O ATOM 656 CB THR A 45 -2.254 -7.914 3.178 1.00 0.00 C ATOM 657 OG1 THR A 45 -1.551 -8.375 2.019 1.00 0.00 O ATOM 658 CG2 THR A 45 -3.719 -8.309 3.078 1.00 0.00 C ATOM 0 H THR A 45 -1.932 -5.780 1.313 1.00 0.00 H new ATOM 0 HA THR A 45 -2.732 -6.039 4.132 1.00 0.00 H new ATOM 0 HB THR A 45 -1.830 -8.377 4.069 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.649 -9.347 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.798 -9.392 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.246 -7.982 3.975 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.164 -7.836 2.203 1.00 0.00 H new ATOM 666 N LYS A 46 0.166 -5.983 2.566 1.00 0.00 N ATOM 667 CA LYS A 46 1.583 -5.671 2.718 1.00 0.00 C ATOM 668 C LYS A 46 1.806 -4.707 3.879 1.00 0.00 C ATOM 669 O LYS A 46 0.970 -3.847 4.154 1.00 0.00 O ATOM 670 CB LYS A 46 2.133 -5.064 1.425 1.00 0.00 C ATOM 671 CG LYS A 46 1.766 -3.603 1.234 1.00 0.00 C ATOM 672 CD LYS A 46 2.338 -3.048 -0.060 1.00 0.00 C ATOM 673 CE LYS A 46 1.358 -3.202 -1.213 1.00 0.00 C ATOM 674 NZ LYS A 46 1.394 -4.573 -1.793 1.00 0.00 N ATOM 0 H LYS A 46 -0.131 -6.137 1.602 1.00 0.00 H new ATOM 0 HA LYS A 46 2.113 -6.599 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.219 -5.160 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.759 -5.638 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.681 -3.497 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.138 -3.020 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.584 -1.994 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.267 -3.565 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.349 -2.982 -0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.593 -2.473 -1.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.120 -4.533 -2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.356 -4.959 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.731 -5.186 -1.277 1.00 0.00 H new ATOM 688 N SER A 47 2.939 -4.857 4.557 1.00 0.00 N ATOM 689 CA SER A 47 3.271 -4.002 5.691 1.00 0.00 C ATOM 690 C SER A 47 2.939 -2.544 5.387 1.00 0.00 C ATOM 691 O SER A 47 3.456 -1.964 4.431 1.00 0.00 O ATOM 692 CB SER A 47 4.754 -4.137 6.041 1.00 0.00 C ATOM 693 OG SER A 47 5.111 -5.495 6.237 1.00 0.00 O ATOM 0 H SER A 47 3.643 -5.563 4.341 1.00 0.00 H new ATOM 0 HA SER A 47 2.673 -4.323 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.360 -3.710 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.971 -3.567 6.944 1.00 0.00 H new ATOM 0 HG SER A 47 6.064 -5.554 6.458 1.00 0.00 H new ATOM 699 N PHE A 48 2.073 -1.958 6.206 1.00 0.00 N ATOM 700 CA PHE A 48 1.670 -0.568 6.026 1.00 0.00 C ATOM 701 C PHE A 48 1.367 0.089 7.369 1.00 0.00 C ATOM 702 O PHE A 48 0.782 -0.532 8.257 1.00 0.00 O ATOM 703 CB PHE A 48 0.443 -0.485 5.116 1.00 0.00 C ATOM 704 CG PHE A 48 -0.855 -0.709 5.837 1.00 0.00 C ATOM 705 CD1 PHE A 48 -1.323 -1.994 6.065 1.00 0.00 C ATOM 706 CD2 PHE A 48 -1.607 0.363 6.288 1.00 0.00 C ATOM 707 CE1 PHE A 48 -2.517 -2.203 6.728 1.00 0.00 C ATOM 708 CE2 PHE A 48 -2.802 0.160 6.952 1.00 0.00 C ATOM 709 CZ PHE A 48 -3.257 -1.125 7.173 1.00 0.00 C ATOM 0 H PHE A 48 1.636 -2.424 7.001 1.00 0.00 H new ATOM 0 HA PHE A 48 2.497 -0.033 5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.420 0.495 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.540 -1.224 4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.748 -2.841 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.255 1.370 6.119 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.872 -3.209 6.898 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.379 1.005 7.297 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.190 -1.287 7.693 1.00 0.00 H new ATOM 719 N ILE A 49 1.769 1.348 7.509 1.00 0.00 N ATOM 720 CA ILE A 49 1.540 2.089 8.743 1.00 0.00 C ATOM 721 C ILE A 49 0.287 2.953 8.641 1.00 0.00 C ATOM 722 O ILE A 49 0.279 4.005 8.002 1.00 0.00 O ATOM 723 CB ILE A 49 2.741 2.987 9.092 1.00 0.00 C ATOM 724 CG1 ILE A 49 3.990 2.135 9.331 1.00 0.00 C ATOM 725 CG2 ILE A 49 2.431 3.836 10.316 1.00 0.00 C ATOM 726 CD1 ILE A 49 4.760 1.825 8.066 1.00 0.00 C ATOM 0 H ILE A 49 2.255 1.876 6.784 1.00 0.00 H new ATOM 0 HA ILE A 49 1.407 1.351 9.534 1.00 0.00 H new ATOM 0 HB ILE A 49 2.933 3.654 8.251 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.647 2.655 10.029 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.696 1.199 9.807 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.290 4.465 10.550 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.565 4.466 10.112 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.216 3.186 11.164 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.632 1.218 8.310 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.119 1.277 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.084 2.756 7.600 1.00 0.00 H new ATOM 738 N PRO A 50 -0.798 2.500 9.287 1.00 0.00 N ATOM 739 CA PRO A 50 -2.076 3.217 9.286 1.00 0.00 C ATOM 740 C PRO A 50 -2.016 4.511 10.091 1.00 0.00 C ATOM 741 O PRO A 50 -1.758 4.494 11.295 1.00 0.00 O ATOM 742 CB PRO A 50 -3.041 2.225 9.940 1.00 0.00 C ATOM 743 CG PRO A 50 -2.175 1.360 10.790 1.00 0.00 C ATOM 744 CD PRO A 50 -0.860 1.253 10.068 1.00 0.00 C ATOM 0 HA PRO A 50 -2.371 3.521 8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.794 2.740 10.537 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.574 1.638 9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.042 1.795 11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.624 0.377 10.931 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.025 1.173 10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.825 0.374 9.425 1.00 0.00 H new ATOM 752 N LYS A 51 -2.256 5.632 9.420 1.00 0.00 N ATOM 753 CA LYS A 51 -2.230 6.936 10.072 1.00 0.00 C ATOM 754 C LYS A 51 -3.576 7.245 10.722 1.00 0.00 C ATOM 755 O LYS A 51 -4.611 6.725 10.305 1.00 0.00 O ATOM 756 CB LYS A 51 -1.877 8.028 9.061 1.00 0.00 C ATOM 757 CG LYS A 51 -1.902 9.430 9.646 1.00 0.00 C ATOM 758 CD LYS A 51 -0.726 9.667 10.578 1.00 0.00 C ATOM 759 CE LYS A 51 -0.387 11.146 10.683 1.00 0.00 C ATOM 760 NZ LYS A 51 0.949 11.367 11.303 1.00 0.00 N ATOM 0 H LYS A 51 -2.471 5.664 8.423 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.467 6.911 10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.884 7.830 8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.577 7.979 8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.881 10.162 8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.834 9.582 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.960 9.275 11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.143 9.118 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.405 11.594 9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.150 11.652 11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.142 12.387 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.958 10.962 12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.680 10.906 10.725 1.00 0.00 H new ATOM 774 N ASP A 52 -3.553 8.095 11.742 1.00 0.00 N ATOM 775 CA ASP A 52 -4.771 8.476 12.447 1.00 0.00 C ATOM 776 C ASP A 52 -5.963 8.506 11.496 1.00 0.00 C ATOM 777 O ASP A 52 -6.883 7.697 11.611 1.00 0.00 O ATOM 778 CB ASP A 52 -4.597 9.843 13.109 1.00 0.00 C ATOM 779 CG ASP A 52 -3.852 9.758 14.427 1.00 0.00 C ATOM 780 OD1 ASP A 52 -4.111 8.807 15.194 1.00 0.00 O ATOM 781 OD2 ASP A 52 -3.012 10.643 14.693 1.00 0.00 O ATOM 0 H ASP A 52 -2.704 8.533 12.099 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.963 7.730 13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.057 10.505 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.577 10.289 13.277 1.00 0.00 H new ATOM 786 N ASN A 53 -5.940 9.445 10.556 1.00 0.00 N ATOM 787 CA ASN A 53 -7.019 9.582 9.585 1.00 0.00 C ATOM 788 C ASN A 53 -6.498 9.398 8.162 1.00 0.00 C ATOM 789 O ASN A 53 -7.061 9.938 7.211 1.00 0.00 O ATOM 790 CB ASN A 53 -7.687 10.951 9.723 1.00 0.00 C ATOM 791 CG ASN A 53 -8.493 11.075 11.001 1.00 0.00 C ATOM 792 OD1 ASN A 53 -8.180 11.890 11.869 1.00 0.00 O ATOM 793 ND2 ASN A 53 -9.538 10.265 11.123 1.00 0.00 N ATOM 0 H ASN A 53 -5.186 10.123 10.446 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.756 8.804 9.786 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.923 11.729 9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.340 11.122 8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.118 10.303 11.961 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.761 9.605 10.378 1.00 0.00 H new ATOM 800 N GLN A 54 -5.420 8.633 8.027 1.00 0.00 N ATOM 801 CA GLN A 54 -4.823 8.379 6.721 1.00 0.00 C ATOM 802 C GLN A 54 -4.080 7.047 6.712 1.00 0.00 C ATOM 803 O GLN A 54 -4.016 6.354 7.727 1.00 0.00 O ATOM 804 CB GLN A 54 -3.867 9.512 6.345 1.00 0.00 C ATOM 805 CG GLN A 54 -4.516 10.887 6.364 1.00 0.00 C ATOM 806 CD GLN A 54 -3.668 11.942 5.681 1.00 0.00 C ATOM 807 OE1 GLN A 54 -2.441 11.934 5.789 1.00 0.00 O ATOM 808 NE2 GLN A 54 -4.318 12.858 4.973 1.00 0.00 N ATOM 0 H GLN A 54 -4.942 8.178 8.805 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.626 8.331 5.985 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.023 9.508 7.035 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.466 9.322 5.349 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.487 10.833 5.872 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.697 11.185 7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.336 12.827 4.910 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.800 13.593 4.492 1.00 0.00 H new ATOM 817 N ASN A 55 -3.521 6.695 5.559 1.00 0.00 N ATOM 818 CA ASN A 55 -2.783 5.445 5.418 1.00 0.00 C ATOM 819 C ASN A 55 -1.494 5.661 4.631 1.00 0.00 C ATOM 820 O ASN A 55 -1.507 6.233 3.541 1.00 0.00 O ATOM 821 CB ASN A 55 -3.649 4.393 4.722 1.00 0.00 C ATOM 822 CG ASN A 55 -5.110 4.496 5.115 1.00 0.00 C ATOM 823 OD1 ASN A 55 -5.797 5.450 4.750 1.00 0.00 O ATOM 824 ND2 ASN A 55 -5.592 3.510 5.863 1.00 0.00 N ATOM 0 H ASN A 55 -3.565 7.257 4.709 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.524 5.090 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.557 4.507 3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.278 3.399 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.568 3.524 6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.986 2.739 6.142 1.00 0.00 H new ATOM 831 N PHE A 56 -0.381 5.198 5.190 1.00 0.00 N ATOM 832 CA PHE A 56 0.918 5.340 4.541 1.00 0.00 C ATOM 833 C PHE A 56 1.733 4.056 4.670 1.00 0.00 C ATOM 834 O PHE A 56 1.896 3.518 5.765 1.00 0.00 O ATOM 835 CB PHE A 56 1.690 6.511 5.150 1.00 0.00 C ATOM 836 CG PHE A 56 1.037 7.844 4.921 1.00 0.00 C ATOM 837 CD1 PHE A 56 1.298 8.570 3.771 1.00 0.00 C ATOM 838 CD2 PHE A 56 0.162 8.371 5.858 1.00 0.00 C ATOM 839 CE1 PHE A 56 0.697 9.797 3.557 1.00 0.00 C ATOM 840 CE2 PHE A 56 -0.442 9.597 5.649 1.00 0.00 C ATOM 841 CZ PHE A 56 -0.173 10.311 4.498 1.00 0.00 C ATOM 0 H PHE A 56 -0.352 4.721 6.091 1.00 0.00 H new ATOM 0 HA PHE A 56 0.748 5.537 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.796 6.347 6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.695 6.531 4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.979 8.173 3.033 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.050 7.818 6.761 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.908 10.352 2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.124 9.996 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.642 11.270 4.334 1.00 0.00 H new ATOM 851 N CYS A 57 2.243 3.571 3.543 1.00 0.00 N ATOM 852 CA CYS A 57 3.041 2.351 3.526 1.00 0.00 C ATOM 853 C CYS A 57 4.317 2.525 4.345 1.00 0.00 C ATOM 854 O CYS A 57 4.534 3.567 4.962 1.00 0.00 O ATOM 855 CB CYS A 57 3.392 1.966 2.088 1.00 0.00 C ATOM 856 SG CYS A 57 2.066 2.298 0.884 1.00 0.00 S ATOM 0 H CYS A 57 2.118 4.005 2.628 1.00 0.00 H new ATOM 0 HA CYS A 57 2.449 1.553 3.974 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.287 2.510 1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.639 0.905 2.057 1.00 0.00 H new ATOM 861 N VAL A 58 5.158 1.496 4.344 1.00 0.00 N ATOM 862 CA VAL A 58 6.414 1.534 5.084 1.00 0.00 C ATOM 863 C VAL A 58 7.360 2.581 4.507 1.00 0.00 C ATOM 864 O VAL A 58 7.891 3.434 5.219 1.00 0.00 O ATOM 865 CB VAL A 58 7.115 0.163 5.072 1.00 0.00 C ATOM 866 CG1 VAL A 58 8.592 0.315 5.399 1.00 0.00 C ATOM 867 CG2 VAL A 58 6.440 -0.788 6.050 1.00 0.00 C ATOM 0 H VAL A 58 4.992 0.625 3.839 1.00 0.00 H new ATOM 0 HA VAL A 58 6.167 1.798 6.112 1.00 0.00 H new ATOM 0 HB VAL A 58 7.031 -0.260 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.070 -0.664 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.064 0.960 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.702 0.759 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.948 -1.752 6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.492 -0.372 7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.396 -0.921 5.766 1.00 0.00 H new ATOM 877 N PRO A 59 7.578 2.517 3.185 1.00 0.00 N ATOM 878 CA PRO A 59 8.461 3.453 2.482 1.00 0.00 C ATOM 879 C PRO A 59 7.879 4.861 2.417 1.00 0.00 C ATOM 880 O PRO A 59 8.611 5.839 2.266 1.00 0.00 O ATOM 881 CB PRO A 59 8.568 2.852 1.078 1.00 0.00 C ATOM 882 CG PRO A 59 7.319 2.057 0.910 1.00 0.00 C ATOM 883 CD PRO A 59 6.980 1.526 2.275 1.00 0.00 C ATOM 0 HA PRO A 59 9.421 3.566 2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.647 3.630 0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.453 2.223 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.511 2.677 0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.467 1.243 0.200 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.902 1.447 2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.397 0.531 2.434 1.00 0.00 H new ATOM 891 N CYS A 60 6.559 4.956 2.532 1.00 0.00 N ATOM 892 CA CYS A 60 5.878 6.244 2.486 1.00 0.00 C ATOM 893 C CYS A 60 5.814 6.875 3.874 1.00 0.00 C ATOM 894 O CYS A 60 6.330 7.971 4.094 1.00 0.00 O ATOM 895 CB CYS A 60 4.465 6.078 1.923 1.00 0.00 C ATOM 896 SG CYS A 60 4.415 5.461 0.210 1.00 0.00 S ATOM 0 H CYS A 60 5.939 4.156 2.658 1.00 0.00 H new ATOM 0 HA CYS A 60 6.447 6.905 1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.909 5.391 2.562 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.953 7.039 1.967 1.00 0.00 H new ATOM 901 N TYR A 61 5.177 6.176 4.806 1.00 0.00 N ATOM 902 CA TYR A 61 5.042 6.667 6.173 1.00 0.00 C ATOM 903 C TYR A 61 6.391 7.121 6.723 1.00 0.00 C ATOM 904 O TYR A 61 6.544 8.262 7.158 1.00 0.00 O ATOM 905 CB TYR A 61 4.451 5.581 7.072 1.00 0.00 C ATOM 906 CG TYR A 61 4.088 6.071 8.456 1.00 0.00 C ATOM 907 CD1 TYR A 61 3.106 7.038 8.636 1.00 0.00 C ATOM 908 CD2 TYR A 61 4.727 5.569 9.582 1.00 0.00 C ATOM 909 CE1 TYR A 61 2.771 7.490 9.898 1.00 0.00 C ATOM 910 CE2 TYR A 61 4.398 6.014 10.848 1.00 0.00 C ATOM 911 CZ TYR A 61 3.420 6.974 11.000 1.00 0.00 C ATOM 912 OH TYR A 61 3.090 7.421 12.260 1.00 0.00 O ATOM 0 H TYR A 61 4.745 5.267 4.640 1.00 0.00 H new ATOM 0 HA TYR A 61 4.368 7.523 6.160 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.560 5.172 6.595 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.168 4.765 7.161 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.596 7.443 7.775 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.494 4.818 9.466 1.00 0.00 H new ATOM 0 HE1 TYR A 61 2.006 8.242 10.021 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.904 5.612 11.713 1.00 0.00 H new ATOM 0 HH TYR A 61 3.639 6.956 12.926 1.00 0.00 H new ATOM 922 N GLU A 62 7.366 6.217 6.701 1.00 0.00 N ATOM 923 CA GLU A 62 8.702 6.524 7.198 1.00 0.00 C ATOM 924 C GLU A 62 9.166 7.892 6.705 1.00 0.00 C ATOM 925 O GLU A 62 9.715 8.686 7.468 1.00 0.00 O ATOM 926 CB GLU A 62 9.695 5.447 6.756 1.00 0.00 C ATOM 927 CG GLU A 62 9.595 4.160 7.559 1.00 0.00 C ATOM 928 CD GLU A 62 9.685 4.397 9.054 1.00 0.00 C ATOM 929 OE1 GLU A 62 10.777 4.773 9.529 1.00 0.00 O ATOM 930 OE2 GLU A 62 8.664 4.207 9.748 1.00 0.00 O ATOM 0 H GLU A 62 7.256 5.268 6.345 1.00 0.00 H new ATOM 0 HA GLU A 62 8.660 6.545 8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.529 5.222 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.708 5.841 6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.651 3.665 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.392 3.483 7.254 1.00 0.00 H new ATOM 937 N LYS A 63 8.941 8.159 5.423 1.00 0.00 N ATOM 938 CA LYS A 63 9.334 9.429 4.825 1.00 0.00 C ATOM 939 C LYS A 63 8.632 10.595 5.515 1.00 0.00 C ATOM 940 O LYS A 63 9.272 11.571 5.906 1.00 0.00 O ATOM 941 CB LYS A 63 9.006 9.436 3.330 1.00 0.00 C ATOM 942 CG LYS A 63 9.932 8.563 2.501 1.00 0.00 C ATOM 943 CD LYS A 63 9.437 8.426 1.071 1.00 0.00 C ATOM 944 CE LYS A 63 10.481 7.771 0.180 1.00 0.00 C ATOM 945 NZ LYS A 63 11.424 8.770 -0.396 1.00 0.00 N ATOM 0 H LYS A 63 8.488 7.512 4.778 1.00 0.00 H new ATOM 0 HA LYS A 63 10.410 9.546 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.979 9.098 3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.057 10.460 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.934 8.992 2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.008 7.576 2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.522 7.834 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.186 9.410 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.040 7.034 0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.984 7.233 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.120 8.284 -0.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.894 9.459 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.917 9.266 0.374 1.00 0.00 H new ATOM 959 N GLN A 64 7.316 10.485 5.662 1.00 0.00 N ATOM 960 CA GLN A 64 6.530 11.530 6.306 1.00 0.00 C ATOM 961 C GLN A 64 7.108 11.882 7.673 1.00 0.00 C ATOM 962 O GLN A 64 7.406 13.044 7.951 1.00 0.00 O ATOM 963 CB GLN A 64 5.074 11.084 6.455 1.00 0.00 C ATOM 964 CG GLN A 64 4.216 11.392 5.239 1.00 0.00 C ATOM 965 CD GLN A 64 3.788 12.845 5.179 1.00 0.00 C ATOM 966 OE1 GLN A 64 4.298 13.685 5.921 1.00 0.00 O ATOM 967 NE2 GLN A 64 2.847 13.149 4.293 1.00 0.00 N ATOM 0 H GLN A 64 6.772 9.683 5.344 1.00 0.00 H new ATOM 0 HA GLN A 64 6.568 12.418 5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.049 10.011 6.645 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.641 11.572 7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.772 11.143 4.335 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.330 10.757 5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.452 12.421 3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.519 14.111 4.207 1.00 0.00 H new ATOM 976 N HIS A 65 7.263 10.872 8.523 1.00 0.00 N ATOM 977 CA HIS A 65 7.806 11.076 9.861 1.00 0.00 C ATOM 978 C HIS A 65 9.209 11.671 9.793 1.00 0.00 C ATOM 979 O HIS A 65 9.530 12.612 10.518 1.00 0.00 O ATOM 980 CB HIS A 65 7.837 9.754 10.629 1.00 0.00 C ATOM 981 CG HIS A 65 7.709 9.919 12.112 1.00 0.00 C ATOM 982 ND1 HIS A 65 8.360 10.908 12.818 1.00 0.00 N ATOM 983 CD2 HIS A 65 6.997 9.215 13.023 1.00 0.00 C ATOM 984 CE1 HIS A 65 8.056 10.804 14.099 1.00 0.00 C ATOM 985 NE2 HIS A 65 7.230 9.784 14.250 1.00 0.00 N ATOM 0 H HIS A 65 7.020 9.905 8.309 1.00 0.00 H new ATOM 0 HA HIS A 65 7.158 11.778 10.386 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.028 9.117 10.272 1.00 0.00 H new ATOM 0 HB3 HIS A 65 8.771 9.237 10.409 1.00 0.00 H new ATOM 0 HD1 HIS A 65 8.980 11.610 12.414 1.00 0.00 H new ATOM 0 HD2 HIS A 65 6.363 8.364 12.822 1.00 0.00 H new ATOM 0 HE1 HIS A 65 8.421 11.444 14.889 1.00 0.00 H new ATOM 994 N ALA A 66 10.041 11.115 8.919 1.00 0.00 N ATOM 995 CA ALA A 66 11.409 11.592 8.756 1.00 0.00 C ATOM 996 C ALA A 66 11.621 12.189 7.368 1.00 0.00 C ATOM 997 O ALA A 66 12.107 11.515 6.460 1.00 0.00 O ATOM 998 CB ALA A 66 12.395 10.460 9.001 1.00 0.00 C ATOM 0 H ALA A 66 9.792 10.334 8.313 1.00 0.00 H new ATOM 0 HA ALA A 66 11.584 12.377 9.491 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.413 10.830 8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.269 10.081 10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.211 9.657 8.288 1.00 0.00 H new ATOM 1004 N SER A 67 11.251 13.456 7.212 1.00 0.00 N ATOM 1005 CA SER A 67 11.397 14.142 5.933 1.00 0.00 C ATOM 1006 C SER A 67 12.696 13.737 5.244 1.00 0.00 C ATOM 1007 O SER A 67 13.783 13.897 5.799 1.00 0.00 O ATOM 1008 CB SER A 67 11.365 15.658 6.137 1.00 0.00 C ATOM 1009 OG SER A 67 11.323 16.339 4.895 1.00 0.00 O ATOM 0 H SER A 67 10.848 14.028 7.954 1.00 0.00 H new ATOM 0 HA SER A 67 10.562 13.851 5.295 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.494 15.929 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.246 15.971 6.698 1.00 0.00 H new ATOM 0 HG SER A 67 11.301 17.306 5.053 1.00 0.00 H new ATOM 1015 N GLY A 68 12.576 13.211 4.029 1.00 0.00 N ATOM 1016 CA GLY A 68 13.748 12.791 3.283 1.00 0.00 C ATOM 1017 C GLY A 68 14.860 13.820 3.322 1.00 0.00 C ATOM 1018 O GLY A 68 15.930 13.588 3.886 1.00 0.00 O ATOM 0 H GLY A 68 11.688 13.068 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.115 11.849 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.467 12.603 2.247 1.00 0.00 H new ATOM 1022 N PRO A 69 14.612 14.988 2.711 1.00 0.00 N ATOM 1023 CA PRO A 69 15.590 16.079 2.664 1.00 0.00 C ATOM 1024 C PRO A 69 15.803 16.726 4.028 1.00 0.00 C ATOM 1025 O PRO A 69 14.849 16.966 4.768 1.00 0.00 O ATOM 1026 CB PRO A 69 14.959 17.078 1.691 1.00 0.00 C ATOM 1027 CG PRO A 69 13.496 16.809 1.767 1.00 0.00 C ATOM 1028 CD PRO A 69 13.359 15.333 2.020 1.00 0.00 C ATOM 0 HA PRO A 69 16.576 15.730 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 69 15.188 18.105 1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 69 15.336 16.936 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.034 17.387 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.998 17.094 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 69 12.487 15.110 2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.246 14.775 1.091 1.00 0.00 H new ATOM 1036 N SER A 70 17.061 17.007 4.355 1.00 0.00 N ATOM 1037 CA SER A 70 17.399 17.624 5.632 1.00 0.00 C ATOM 1038 C SER A 70 17.346 19.146 5.532 1.00 0.00 C ATOM 1039 O SER A 70 16.770 19.815 6.389 1.00 0.00 O ATOM 1040 CB SER A 70 18.791 17.180 6.084 1.00 0.00 C ATOM 1041 OG SER A 70 19.767 17.480 5.101 1.00 0.00 O ATOM 0 H SER A 70 17.862 16.817 3.753 1.00 0.00 H new ATOM 0 HA SER A 70 16.664 17.300 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.048 17.676 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.788 16.108 6.282 1.00 0.00 H new ATOM 0 HG SER A 70 20.648 17.188 5.415 1.00 0.00 H new ATOM 1047 N SER A 71 17.951 19.684 4.478 1.00 0.00 N ATOM 1048 CA SER A 71 17.977 21.127 4.266 1.00 0.00 C ATOM 1049 C SER A 71 16.661 21.611 3.664 1.00 0.00 C ATOM 1050 O SER A 71 15.770 20.816 3.371 1.00 0.00 O ATOM 1051 CB SER A 71 19.141 21.508 3.350 1.00 0.00 C ATOM 1052 OG SER A 71 20.332 21.702 4.093 1.00 0.00 O ATOM 0 H SER A 71 18.430 19.143 3.758 1.00 0.00 H new ATOM 0 HA SER A 71 18.113 21.610 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.295 20.725 2.608 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.896 22.420 2.805 1.00 0.00 H new ATOM 0 HG SER A 71 21.062 21.943 3.485 1.00 0.00 H new ATOM 1058 N GLY A 72 16.548 22.924 3.483 1.00 0.00 N ATOM 1059 CA GLY A 72 15.339 23.493 2.918 1.00 0.00 C ATOM 1060 C GLY A 72 14.275 23.751 3.965 1.00 0.00 C ATOM 1061 O GLY A 72 13.860 24.898 4.128 1.00 0.00 O ATOM 0 H GLY A 72 17.272 23.603 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.583 24.428 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.943 22.817 2.161 1.00 0.00 H new TER 1065 GLY A 72 HETATM 1066 ZN ZN A 201 -15.422 3.426 -0.673 1.00 0.00 ZN HETATM 1067 ZN ZN A 401 2.389 4.372 -0.118 1.00 0.00 ZN