USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 753 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0887 K(o=-0.089,f=-1.2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -173:sc= 0.4 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -170:sc= -0.358 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc=-0.00869 (180deg=-0.125) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.0714 (180deg=-0.501) USER MOD Single : A 47 LYS NZ :NH3+ -112:sc= 0.702 (180deg=0.00123) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.203 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -152:sc= -0.666 (180deg=-3.17!) USER MOD Single : A 69 MET CE :methyl 169:sc= -0.134 (180deg=-0.446) USER MOD Single : A 70 ASN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -0.0106 (180deg=-0.101) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.079 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.116 5.433 12.098 1.00 0.00 N ATOM 2 CA GLY A 1 -21.072 6.441 12.126 1.00 0.00 C ATOM 3 C GLY A 1 -21.590 7.800 12.550 1.00 0.00 C ATOM 4 O GLY A 1 -22.505 8.345 11.931 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.711 4.522 11.802 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.530 5.336 13.047 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.856 5.718 11.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.285 6.126 12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.621 6.520 11.137 1.00 0.00 H new ATOM 8 N SER A 2 -21.007 8.350 13.610 1.00 0.00 N ATOM 9 CA SER A 2 -21.419 9.652 14.121 1.00 0.00 C ATOM 10 C SER A 2 -20.206 10.507 14.474 1.00 0.00 C ATOM 11 O SER A 2 -20.125 11.675 14.096 1.00 0.00 O ATOM 12 CB SER A 2 -22.312 9.481 15.352 1.00 0.00 C ATOM 13 OG SER A 2 -23.004 10.682 15.650 1.00 0.00 O ATOM 0 H SER A 2 -20.247 7.914 14.132 1.00 0.00 H new ATOM 0 HA SER A 2 -21.983 10.159 13.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.028 8.678 15.177 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.705 9.185 16.208 1.00 0.00 H new ATOM 0 HG SER A 2 -23.569 10.547 16.439 1.00 0.00 H new ATOM 19 N SER A 3 -19.264 9.915 15.201 1.00 0.00 N ATOM 20 CA SER A 3 -18.055 10.620 15.608 1.00 0.00 C ATOM 21 C SER A 3 -16.808 9.823 15.240 1.00 0.00 C ATOM 22 O SER A 3 -16.835 8.593 15.197 1.00 0.00 O ATOM 23 CB SER A 3 -18.077 10.886 17.116 1.00 0.00 C ATOM 24 OG SER A 3 -18.958 9.994 17.776 1.00 0.00 O ATOM 0 H SER A 3 -19.315 8.948 15.520 1.00 0.00 H new ATOM 0 HA SER A 3 -18.025 11.572 15.077 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.072 10.777 17.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.387 11.914 17.303 1.00 0.00 H new ATOM 0 HG SER A 3 -18.954 10.182 18.738 1.00 0.00 H new ATOM 30 N GLY A 4 -15.716 10.532 14.973 1.00 0.00 N ATOM 31 CA GLY A 4 -14.474 9.875 14.611 1.00 0.00 C ATOM 32 C GLY A 4 -13.361 10.860 14.313 1.00 0.00 C ATOM 33 O GLY A 4 -12.765 11.429 15.228 1.00 0.00 O ATOM 0 H GLY A 4 -15.669 11.551 15.001 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.165 9.217 15.423 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.641 9.245 13.737 1.00 0.00 H new ATOM 37 N SER A 5 -13.081 11.064 13.029 1.00 0.00 N ATOM 38 CA SER A 5 -12.028 11.983 12.613 1.00 0.00 C ATOM 39 C SER A 5 -12.247 12.443 11.175 1.00 0.00 C ATOM 40 O SER A 5 -12.051 11.678 10.231 1.00 0.00 O ATOM 41 CB SER A 5 -10.658 11.316 12.746 1.00 0.00 C ATOM 42 OG SER A 5 -9.622 12.197 12.345 1.00 0.00 O ATOM 0 H SER A 5 -13.569 10.605 12.260 1.00 0.00 H new ATOM 0 HA SER A 5 -12.062 12.856 13.264 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.498 11.008 13.779 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.629 10.413 12.136 1.00 0.00 H new ATOM 0 HG SER A 5 -8.756 11.748 12.440 1.00 0.00 H new ATOM 48 N SER A 6 -12.653 13.699 11.017 1.00 0.00 N ATOM 49 CA SER A 6 -12.901 14.261 9.696 1.00 0.00 C ATOM 50 C SER A 6 -11.891 15.357 9.373 1.00 0.00 C ATOM 51 O SER A 6 -11.317 15.972 10.270 1.00 0.00 O ATOM 52 CB SER A 6 -14.323 14.822 9.615 1.00 0.00 C ATOM 53 OG SER A 6 -15.083 14.146 8.630 1.00 0.00 O ATOM 0 H SER A 6 -12.817 14.346 11.788 1.00 0.00 H new ATOM 0 HA SER A 6 -12.791 13.462 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.811 14.725 10.585 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.285 15.886 9.382 1.00 0.00 H new ATOM 0 HG SER A 6 -15.987 14.522 8.600 1.00 0.00 H new ATOM 59 N GLY A 7 -11.679 15.597 8.082 1.00 0.00 N ATOM 60 CA GLY A 7 -10.738 16.619 7.662 1.00 0.00 C ATOM 61 C GLY A 7 -10.961 17.058 6.228 1.00 0.00 C ATOM 62 O GLY A 7 -11.846 16.544 5.545 1.00 0.00 O ATOM 0 H GLY A 7 -12.142 15.102 7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.826 17.483 8.321 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.722 16.239 7.769 1.00 0.00 H new ATOM 66 N ASP A 8 -10.158 18.012 5.772 1.00 0.00 N ATOM 67 CA ASP A 8 -10.272 18.522 4.410 1.00 0.00 C ATOM 68 C ASP A 8 -9.547 17.608 3.425 1.00 0.00 C ATOM 69 O ASP A 8 -8.646 16.853 3.790 1.00 0.00 O ATOM 70 CB ASP A 8 -9.702 19.939 4.323 1.00 0.00 C ATOM 71 CG ASP A 8 -10.787 20.996 4.264 1.00 0.00 C ATOM 72 OD1 ASP A 8 -11.866 20.773 4.851 1.00 0.00 O ATOM 73 OD2 ASP A 8 -10.557 22.046 3.630 1.00 0.00 O ATOM 0 H ASP A 8 -9.421 18.448 6.325 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.329 18.547 4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.064 20.125 5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.071 20.020 3.438 1.00 0.00 H new ATOM 78 N PRO A 9 -9.950 17.676 2.148 1.00 0.00 N ATOM 79 CA PRO A 9 -9.354 16.862 1.086 1.00 0.00 C ATOM 80 C PRO A 9 -7.926 17.288 0.761 1.00 0.00 C ATOM 81 O PRO A 9 -7.054 16.450 0.538 1.00 0.00 O ATOM 82 CB PRO A 9 -10.273 17.113 -0.112 1.00 0.00 C ATOM 83 CG PRO A 9 -10.880 18.447 0.149 1.00 0.00 C ATOM 84 CD PRO A 9 -11.020 18.554 1.643 1.00 0.00 C ATOM 0 HA PRO A 9 -9.279 15.812 1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.714 17.109 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.037 16.340 -0.194 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.250 19.246 -0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.849 18.537 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.893 19.581 1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.003 18.224 1.979 1.00 0.00 H new ATOM 92 N GLU A 10 -7.696 18.598 0.735 1.00 0.00 N ATOM 93 CA GLU A 10 -6.373 19.134 0.437 1.00 0.00 C ATOM 94 C GLU A 10 -5.325 18.558 1.385 1.00 0.00 C ATOM 95 O GLU A 10 -4.210 18.237 0.974 1.00 0.00 O ATOM 96 CB GLU A 10 -6.383 20.661 0.538 1.00 0.00 C ATOM 97 CG GLU A 10 -6.019 21.359 -0.761 1.00 0.00 C ATOM 98 CD GLU A 10 -4.530 21.314 -1.049 1.00 0.00 C ATOM 99 OE1 GLU A 10 -3.747 21.140 -0.092 1.00 0.00 O ATOM 100 OE2 GLU A 10 -4.149 21.455 -2.230 1.00 0.00 O ATOM 0 H GLU A 10 -8.408 19.306 0.916 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.114 18.845 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.374 20.989 0.852 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.684 20.970 1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.559 20.891 -1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.345 22.398 -0.715 1.00 0.00 H new ATOM 107 N VAL A 11 -5.693 18.431 2.656 1.00 0.00 N ATOM 108 CA VAL A 11 -4.786 17.893 3.664 1.00 0.00 C ATOM 109 C VAL A 11 -4.300 16.501 3.279 1.00 0.00 C ATOM 110 O VAL A 11 -3.122 16.180 3.430 1.00 0.00 O ATOM 111 CB VAL A 11 -5.460 17.825 5.047 1.00 0.00 C ATOM 112 CG1 VAL A 11 -4.484 17.309 6.092 1.00 0.00 C ATOM 113 CG2 VAL A 11 -6.004 19.190 5.442 1.00 0.00 C ATOM 0 H VAL A 11 -6.612 18.693 3.012 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.934 18.571 3.716 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.296 17.128 4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.978 17.268 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.147 16.310 5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.626 17.978 6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.477 19.124 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.187 19.910 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.739 19.516 4.706 1.00 0.00 H new ATOM 123 N MET A 12 -5.217 15.677 2.779 1.00 0.00 N ATOM 124 CA MET A 12 -4.880 14.318 2.370 1.00 0.00 C ATOM 125 C MET A 12 -4.212 14.312 0.999 1.00 0.00 C ATOM 126 O MET A 12 -3.398 13.440 0.698 1.00 0.00 O ATOM 127 CB MET A 12 -6.136 13.446 2.343 1.00 0.00 C ATOM 128 CG MET A 12 -6.869 13.393 3.673 1.00 0.00 C ATOM 129 SD MET A 12 -6.903 11.735 4.381 1.00 0.00 S ATOM 130 CE MET A 12 -5.472 11.797 5.457 1.00 0.00 C ATOM 0 H MET A 12 -6.197 15.927 2.648 1.00 0.00 H new ATOM 0 HA MET A 12 -4.178 13.909 3.097 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.815 13.825 1.579 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.859 12.433 2.050 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.389 14.074 4.376 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.891 13.746 3.535 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.359 10.841 5.968 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.580 12.000 4.865 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.605 12.589 6.194 1.00 0.00 H new ATOM 140 N ALA A 13 -4.563 15.292 0.171 1.00 0.00 N ATOM 141 CA ALA A 13 -3.996 15.400 -1.167 1.00 0.00 C ATOM 142 C ALA A 13 -2.482 15.573 -1.110 1.00 0.00 C ATOM 143 O ALA A 13 -1.765 15.165 -2.024 1.00 0.00 O ATOM 144 CB ALA A 13 -4.633 16.560 -1.918 1.00 0.00 C ATOM 0 H ALA A 13 -5.237 16.021 0.404 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.210 14.474 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.200 16.629 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.707 16.395 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.449 17.488 -1.378 1.00 0.00 H new ATOM 150 N LYS A 14 -2.001 16.180 -0.031 1.00 0.00 N ATOM 151 CA LYS A 14 -0.571 16.407 0.147 1.00 0.00 C ATOM 152 C LYS A 14 0.175 15.086 0.296 1.00 0.00 C ATOM 153 O LYS A 14 1.305 14.943 -0.169 1.00 0.00 O ATOM 154 CB LYS A 14 -0.322 17.287 1.375 1.00 0.00 C ATOM 155 CG LYS A 14 0.417 18.575 1.060 1.00 0.00 C ATOM 156 CD LYS A 14 1.213 19.069 2.256 1.00 0.00 C ATOM 157 CE LYS A 14 2.387 18.150 2.561 1.00 0.00 C ATOM 158 NZ LYS A 14 3.654 18.910 2.742 1.00 0.00 N ATOM 0 H LYS A 14 -2.581 16.524 0.735 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.197 16.917 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.279 17.531 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.251 16.719 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.089 18.413 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.297 19.340 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.579 20.077 2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.562 19.131 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.175 17.577 3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.507 17.432 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.429 18.248 2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.870 19.437 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.549 19.577 3.533 1.00 0.00 H new ATOM 172 N VAL A 15 -0.466 14.119 0.947 1.00 0.00 N ATOM 173 CA VAL A 15 0.137 12.808 1.155 1.00 0.00 C ATOM 174 C VAL A 15 0.410 12.112 -0.173 1.00 0.00 C ATOM 175 O VAL A 15 -0.461 12.042 -1.042 1.00 0.00 O ATOM 176 CB VAL A 15 -0.766 11.906 2.018 1.00 0.00 C ATOM 177 CG1 VAL A 15 -0.122 10.544 2.223 1.00 0.00 C ATOM 178 CG2 VAL A 15 -1.062 12.571 3.354 1.00 0.00 C ATOM 0 H VAL A 15 -1.402 14.220 1.339 1.00 0.00 H new ATOM 0 HA VAL A 15 1.080 12.972 1.677 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.710 11.759 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.775 9.921 2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.034 10.066 1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.837 10.667 2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.701 11.920 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.128 12.750 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.570 13.520 3.183 1.00 0.00 H new ATOM 188 N LYS A 16 1.625 11.597 -0.326 1.00 0.00 N ATOM 189 CA LYS A 16 2.015 10.904 -1.548 1.00 0.00 C ATOM 190 C LYS A 16 2.908 9.708 -1.234 1.00 0.00 C ATOM 191 O LYS A 16 3.712 9.285 -2.065 1.00 0.00 O ATOM 192 CB LYS A 16 2.742 11.862 -2.494 1.00 0.00 C ATOM 193 CG LYS A 16 4.111 12.289 -1.992 1.00 0.00 C ATOM 194 CD LYS A 16 4.582 13.562 -2.673 1.00 0.00 C ATOM 195 CE LYS A 16 6.097 13.595 -2.808 1.00 0.00 C ATOM 196 NZ LYS A 16 6.594 14.955 -3.154 1.00 0.00 N ATOM 0 H LYS A 16 2.358 11.647 0.382 1.00 0.00 H new ATOM 0 HA LYS A 16 1.109 10.542 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.854 11.384 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.126 12.749 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.072 12.445 -0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.831 11.491 -2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.126 13.638 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.248 14.427 -2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.552 13.269 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.408 12.888 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.631 14.935 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.180 15.256 -4.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.319 15.625 -2.408 1.00 0.00 H new ATOM 210 N VAL A 17 2.761 9.166 -0.030 1.00 0.00 N ATOM 211 CA VAL A 17 3.553 8.017 0.393 1.00 0.00 C ATOM 212 C VAL A 17 2.675 6.953 1.044 1.00 0.00 C ATOM 213 O VAL A 17 2.067 7.189 2.089 1.00 0.00 O ATOM 214 CB VAL A 17 4.658 8.430 1.383 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.547 7.242 1.719 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.480 9.577 0.816 1.00 0.00 C ATOM 0 H VAL A 17 2.101 9.504 0.670 1.00 0.00 H new ATOM 0 HA VAL A 17 4.015 7.604 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 17 4.186 8.772 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.322 7.554 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.945 6.453 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.012 6.866 0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.256 9.856 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.943 9.265 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.831 10.434 0.633 1.00 0.00 H new ATOM 226 N LEU A 18 2.613 5.782 0.419 1.00 0.00 N ATOM 227 CA LEU A 18 1.810 4.681 0.938 1.00 0.00 C ATOM 228 C LEU A 18 2.642 3.777 1.842 1.00 0.00 C ATOM 229 O LEU A 18 3.672 3.244 1.426 1.00 0.00 O ATOM 230 CB LEU A 18 1.223 3.866 -0.215 1.00 0.00 C ATOM 231 CG LEU A 18 0.617 4.670 -1.367 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.188 3.748 -2.496 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.561 5.500 -0.876 1.00 0.00 C ATOM 0 H LEU A 18 3.109 5.571 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 18 0.997 5.104 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.009 3.227 -0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.452 3.208 0.187 1.00 0.00 H new ATOM 0 HG LEU A 18 1.379 5.348 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.240 4.339 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.054 3.199 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.558 3.044 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.980 6.065 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.325 4.840 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.223 6.190 -0.103 1.00 0.00 H new ATOM 245 N PHE A 19 2.189 3.607 3.079 1.00 0.00 N ATOM 246 CA PHE A 19 2.892 2.767 4.041 1.00 0.00 C ATOM 247 C PHE A 19 2.433 1.315 3.934 1.00 0.00 C ATOM 248 O PHE A 19 1.402 0.935 4.489 1.00 0.00 O ATOM 249 CB PHE A 19 2.662 3.282 5.464 1.00 0.00 C ATOM 250 CG PHE A 19 3.688 2.799 6.449 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.021 3.151 6.310 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.319 1.993 7.515 1.00 0.00 C ATOM 253 CE1 PHE A 19 5.966 2.707 7.216 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.260 1.547 8.424 1.00 0.00 C ATOM 255 CZ PHE A 19 5.585 1.905 8.274 1.00 0.00 C ATOM 0 H PHE A 19 1.338 4.040 3.439 1.00 0.00 H new ATOM 0 HA PHE A 19 3.957 2.811 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.666 4.372 5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.673 2.970 5.799 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.325 3.779 5.485 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.284 1.710 7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.002 2.987 7.097 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.959 0.920 9.250 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.322 1.558 8.983 1.00 0.00 H new ATOM 265 N VAL A 20 3.206 0.508 3.213 1.00 0.00 N ATOM 266 CA VAL A 20 2.880 -0.902 3.033 1.00 0.00 C ATOM 267 C VAL A 20 3.477 -1.752 4.149 1.00 0.00 C ATOM 268 O VAL A 20 4.695 -1.801 4.322 1.00 0.00 O ATOM 269 CB VAL A 20 3.388 -1.425 1.675 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.875 -2.834 1.421 1.00 0.00 C ATOM 271 CG2 VAL A 20 2.972 -0.486 0.554 1.00 0.00 C ATOM 0 H VAL A 20 4.062 0.806 2.745 1.00 0.00 H new ATOM 0 HA VAL A 20 1.793 -0.983 3.062 1.00 0.00 H new ATOM 0 HB VAL A 20 4.477 -1.460 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.243 -3.187 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.228 -3.498 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.785 -2.828 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.339 -0.870 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.885 -0.416 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.394 0.503 0.733 1.00 0.00 H new ATOM 281 N ARG A 21 2.611 -2.420 4.903 1.00 0.00 N ATOM 282 CA ARG A 21 3.052 -3.269 6.004 1.00 0.00 C ATOM 283 C ARG A 21 2.904 -4.745 5.645 1.00 0.00 C ATOM 284 O ARG A 21 2.294 -5.090 4.634 1.00 0.00 O ATOM 285 CB ARG A 21 2.250 -2.957 7.268 1.00 0.00 C ATOM 286 CG ARG A 21 3.030 -2.165 8.305 1.00 0.00 C ATOM 287 CD ARG A 21 2.332 -2.176 9.656 1.00 0.00 C ATOM 288 NE ARG A 21 2.977 -3.087 10.597 1.00 0.00 N ATOM 289 CZ ARG A 21 4.177 -2.870 11.126 1.00 0.00 C ATOM 290 NH1 ARG A 21 4.857 -1.778 10.808 1.00 0.00 N ATOM 291 NH2 ARG A 21 4.698 -3.746 11.976 1.00 0.00 N ATOM 0 H ARG A 21 1.600 -2.390 4.772 1.00 0.00 H new ATOM 0 HA ARG A 21 4.106 -3.063 6.190 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.357 -2.397 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.914 -3.893 7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.031 -2.585 8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.149 -1.136 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.329 -1.168 10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.290 -2.469 9.524 1.00 0.00 H new ATOM 0 HE ARG A 21 2.479 -3.937 10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.460 -1.102 10.156 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.778 -1.614 11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.177 -4.587 12.224 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.619 -3.578 12.381 1.00 0.00 H new ATOM 305 N ASN A 22 3.468 -5.611 6.482 1.00 0.00 N ATOM 306 CA ASN A 22 3.400 -7.048 6.252 1.00 0.00 C ATOM 307 C ASN A 22 3.888 -7.400 4.850 1.00 0.00 C ATOM 308 O ASN A 22 3.094 -7.732 3.969 1.00 0.00 O ATOM 309 CB ASN A 22 1.968 -7.550 6.447 1.00 0.00 C ATOM 310 CG ASN A 22 1.614 -7.737 7.910 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.467 -8.080 8.728 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.349 -7.510 8.245 1.00 0.00 N ATOM 0 H ASN A 22 3.976 -5.342 7.324 1.00 0.00 H new ATOM 0 HA ASN A 22 4.051 -7.537 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.273 -6.842 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.843 -8.497 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.051 -7.618 9.214 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.324 -7.227 7.533 1.00 0.00 H new ATOM 319 N LEU A 23 5.199 -7.324 4.650 1.00 0.00 N ATOM 320 CA LEU A 23 5.794 -7.634 3.354 1.00 0.00 C ATOM 321 C LEU A 23 6.369 -9.047 3.344 1.00 0.00 C ATOM 322 O LEU A 23 6.332 -9.750 4.352 1.00 0.00 O ATOM 323 CB LEU A 23 6.892 -6.623 3.020 1.00 0.00 C ATOM 324 CG LEU A 23 6.440 -5.361 2.285 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.317 -4.672 3.045 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.611 -4.411 2.084 1.00 0.00 C ATOM 0 H LEU A 23 5.870 -7.051 5.368 1.00 0.00 H new ATOM 0 HA LEU A 23 5.011 -7.574 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.378 -6.324 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.646 -7.123 2.412 1.00 0.00 H new ATOM 0 HG LEU A 23 6.062 -5.652 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.009 -3.776 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.469 -5.351 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.667 -4.395 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.270 -3.519 1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.020 -4.127 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.383 -4.905 1.495 1.00 0.00 H new ATOM 338 N ALA A 24 6.901 -9.455 2.196 1.00 0.00 N ATOM 339 CA ALA A 24 7.489 -10.782 2.056 1.00 0.00 C ATOM 340 C ALA A 24 9.005 -10.700 1.916 1.00 0.00 C ATOM 341 O ALA A 24 9.536 -9.742 1.353 1.00 0.00 O ATOM 342 CB ALA A 24 6.883 -11.502 0.859 1.00 0.00 C ATOM 0 H ALA A 24 6.937 -8.886 1.350 1.00 0.00 H new ATOM 0 HA ALA A 24 7.266 -11.349 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.330 -12.492 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.807 -11.602 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.077 -10.928 -0.047 1.00 0.00 H new ATOM 348 N THR A 25 9.698 -11.711 2.431 1.00 0.00 N ATOM 349 CA THR A 25 11.153 -11.751 2.365 1.00 0.00 C ATOM 350 C THR A 25 11.626 -12.344 1.042 1.00 0.00 C ATOM 351 O THR A 25 12.736 -12.065 0.588 1.00 0.00 O ATOM 352 CB THR A 25 11.745 -12.575 3.525 1.00 0.00 C ATOM 353 OG1 THR A 25 10.931 -12.430 4.694 1.00 0.00 O ATOM 354 CG2 THR A 25 13.167 -12.132 3.833 1.00 0.00 C ATOM 0 H THR A 25 9.275 -12.513 2.898 1.00 0.00 H new ATOM 0 HA THR A 25 11.503 -10.722 2.445 1.00 0.00 H new ATOM 0 HB THR A 25 11.765 -13.622 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.313 -12.958 5.426 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.564 -12.728 4.655 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.791 -12.271 2.950 1.00 0.00 H new ATOM 0 HG23 THR A 25 13.167 -11.079 4.115 1.00 0.00 H new ATOM 362 N THR A 26 10.778 -13.161 0.427 1.00 0.00 N ATOM 363 CA THR A 26 11.110 -13.794 -0.843 1.00 0.00 C ATOM 364 C THR A 26 11.066 -12.786 -1.986 1.00 0.00 C ATOM 365 O THR A 26 11.792 -12.917 -2.971 1.00 0.00 O ATOM 366 CB THR A 26 10.151 -14.955 -1.160 1.00 0.00 C ATOM 367 OG1 THR A 26 8.798 -14.556 -0.911 1.00 0.00 O ATOM 368 CG2 THR A 26 10.486 -16.179 -0.321 1.00 0.00 C ATOM 0 H THR A 26 9.855 -13.400 0.788 1.00 0.00 H new ATOM 0 HA THR A 26 12.122 -14.186 -0.746 1.00 0.00 H new ATOM 0 HB THR A 26 10.265 -15.213 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.206 -15.332 -1.003 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.795 -16.986 -0.563 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.506 -16.499 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.398 -15.930 0.737 1.00 0.00 H new ATOM 376 N VAL A 27 10.209 -11.779 -1.848 1.00 0.00 N ATOM 377 CA VAL A 27 10.071 -10.748 -2.870 1.00 0.00 C ATOM 378 C VAL A 27 11.256 -9.788 -2.845 1.00 0.00 C ATOM 379 O VAL A 27 11.993 -9.717 -1.861 1.00 0.00 O ATOM 380 CB VAL A 27 8.770 -9.943 -2.684 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.565 -10.870 -2.686 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.826 -9.132 -1.397 1.00 0.00 C ATOM 0 H VAL A 27 9.600 -11.655 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 27 10.040 -11.259 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 27 8.668 -9.251 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.655 -10.284 -2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.518 -11.404 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.657 -11.587 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.900 -8.569 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.951 -9.804 -0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.668 -8.441 -1.439 1.00 0.00 H new ATOM 392 N THR A 28 11.435 -9.050 -3.936 1.00 0.00 N ATOM 393 CA THR A 28 12.531 -8.095 -4.042 1.00 0.00 C ATOM 394 C THR A 28 12.026 -6.725 -4.479 1.00 0.00 C ATOM 395 O THR A 28 10.907 -6.596 -4.975 1.00 0.00 O ATOM 396 CB THR A 28 13.603 -8.578 -5.037 1.00 0.00 C ATOM 397 OG1 THR A 28 14.690 -7.646 -5.076 1.00 0.00 O ATOM 398 CG2 THR A 28 13.014 -8.736 -6.432 1.00 0.00 C ATOM 0 H THR A 28 10.835 -9.095 -4.759 1.00 0.00 H new ATOM 0 HA THR A 28 12.977 -8.014 -3.051 1.00 0.00 H new ATOM 0 HB THR A 28 13.968 -9.549 -4.701 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.368 -7.961 -5.709 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.789 -9.078 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.206 -9.467 -6.405 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.625 -7.777 -6.773 1.00 0.00 H new ATOM 406 N GLU A 29 12.859 -5.706 -4.293 1.00 0.00 N ATOM 407 CA GLU A 29 12.495 -4.345 -4.671 1.00 0.00 C ATOM 408 C GLU A 29 12.023 -4.289 -6.121 1.00 0.00 C ATOM 409 O GLU A 29 11.202 -3.449 -6.485 1.00 0.00 O ATOM 410 CB GLU A 29 13.685 -3.402 -4.473 1.00 0.00 C ATOM 411 CG GLU A 29 13.757 -2.798 -3.081 1.00 0.00 C ATOM 412 CD GLU A 29 14.902 -1.815 -2.931 1.00 0.00 C ATOM 413 OE1 GLU A 29 14.828 -0.721 -3.526 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.874 -2.142 -2.216 1.00 0.00 O ATOM 0 H GLU A 29 13.789 -5.796 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 29 11.675 -4.024 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.607 -3.948 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.627 -2.598 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.817 -2.292 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.870 -3.597 -2.348 1.00 0.00 H new ATOM 421 N GLU A 30 12.551 -5.190 -6.944 1.00 0.00 N ATOM 422 CA GLU A 30 12.186 -5.242 -8.355 1.00 0.00 C ATOM 423 C GLU A 30 10.718 -5.624 -8.522 1.00 0.00 C ATOM 424 O GLU A 30 10.006 -5.046 -9.344 1.00 0.00 O ATOM 425 CB GLU A 30 13.072 -6.244 -9.097 1.00 0.00 C ATOM 426 CG GLU A 30 13.376 -5.843 -10.530 1.00 0.00 C ATOM 427 CD GLU A 30 13.930 -6.990 -11.353 1.00 0.00 C ATOM 428 OE1 GLU A 30 13.127 -7.749 -11.932 1.00 0.00 O ATOM 429 OE2 GLU A 30 15.171 -7.128 -11.416 1.00 0.00 O ATOM 0 H GLU A 30 13.232 -5.893 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 30 12.337 -4.250 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.010 -6.358 -8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.583 -7.218 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.466 -5.470 -11.000 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.093 -5.022 -10.529 1.00 0.00 H new ATOM 436 N ILE A 31 10.273 -6.600 -7.737 1.00 0.00 N ATOM 437 CA ILE A 31 8.891 -7.058 -7.798 1.00 0.00 C ATOM 438 C ILE A 31 7.938 -6.007 -7.239 1.00 0.00 C ATOM 439 O ILE A 31 6.975 -5.612 -7.897 1.00 0.00 O ATOM 440 CB ILE A 31 8.699 -8.375 -7.022 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.624 -9.459 -7.578 1.00 0.00 C ATOM 442 CG2 ILE A 31 7.247 -8.823 -7.091 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.783 -10.648 -6.656 1.00 0.00 C ATOM 0 H ILE A 31 10.850 -7.088 -7.052 1.00 0.00 H new ATOM 0 HA ILE A 31 8.662 -7.229 -8.850 1.00 0.00 H new ATOM 0 HB ILE A 31 8.957 -8.205 -5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.234 -9.802 -8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.605 -9.025 -7.770 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.127 -9.755 -6.538 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.608 -8.056 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.964 -8.980 -8.132 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.452 -11.377 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.202 -10.318 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.810 -11.107 -6.483 1.00 0.00 H new ATOM 455 N LEU A 32 8.213 -5.557 -6.019 1.00 0.00 N ATOM 456 CA LEU A 32 7.382 -4.550 -5.370 1.00 0.00 C ATOM 457 C LEU A 32 7.233 -3.315 -6.253 1.00 0.00 C ATOM 458 O LEU A 32 6.211 -2.631 -6.212 1.00 0.00 O ATOM 459 CB LEU A 32 7.984 -4.156 -4.020 1.00 0.00 C ATOM 460 CG LEU A 32 7.705 -5.110 -2.857 1.00 0.00 C ATOM 461 CD1 LEU A 32 8.830 -5.048 -1.835 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.371 -4.779 -2.205 1.00 0.00 C ATOM 0 H LEU A 32 9.005 -5.874 -5.460 1.00 0.00 H new ATOM 0 HA LEU A 32 6.393 -4.980 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.064 -4.066 -4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.609 -3.168 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 32 7.653 -6.126 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.615 -5.733 -1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.769 -5.334 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.914 -4.033 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.189 -5.467 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.395 -3.757 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.573 -4.875 -2.941 1.00 0.00 H new ATOM 474 N GLU A 33 8.260 -3.037 -7.051 1.00 0.00 N ATOM 475 CA GLU A 33 8.242 -1.885 -7.945 1.00 0.00 C ATOM 476 C GLU A 33 7.359 -2.153 -9.160 1.00 0.00 C ATOM 477 O GLU A 33 6.782 -1.231 -9.739 1.00 0.00 O ATOM 478 CB GLU A 33 9.662 -1.542 -8.398 1.00 0.00 C ATOM 479 CG GLU A 33 10.393 -0.605 -7.451 1.00 0.00 C ATOM 480 CD GLU A 33 11.900 -0.685 -7.601 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.395 -1.733 -8.064 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.585 0.301 -7.254 1.00 0.00 O ATOM 0 H GLU A 33 9.114 -3.593 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 33 7.828 -1.038 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.235 -2.464 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.619 -1.085 -9.387 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.067 0.419 -7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.120 -0.847 -6.424 1.00 0.00 H new ATOM 489 N LYS A 34 7.257 -3.422 -9.542 1.00 0.00 N ATOM 490 CA LYS A 34 6.444 -3.813 -10.687 1.00 0.00 C ATOM 491 C LYS A 34 4.977 -3.951 -10.292 1.00 0.00 C ATOM 492 O LYS A 34 4.083 -3.797 -11.123 1.00 0.00 O ATOM 493 CB LYS A 34 6.951 -5.134 -11.271 1.00 0.00 C ATOM 494 CG LYS A 34 7.646 -4.978 -12.613 1.00 0.00 C ATOM 495 CD LYS A 34 8.871 -5.871 -12.714 1.00 0.00 C ATOM 496 CE LYS A 34 8.853 -6.702 -13.987 1.00 0.00 C ATOM 497 NZ LYS A 34 10.190 -7.281 -14.291 1.00 0.00 N ATOM 0 H LYS A 34 7.728 -4.197 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 34 6.527 -3.032 -11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.642 -5.593 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.110 -5.818 -11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.949 -5.222 -13.415 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.940 -3.938 -12.752 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.772 -5.258 -12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.913 -6.532 -11.848 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.124 -7.506 -13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.528 -6.081 -14.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.135 -7.840 -15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.881 -6.513 -14.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.489 -7.894 -13.506 1.00 0.00 H new ATOM 511 N SER A 35 4.737 -4.240 -9.017 1.00 0.00 N ATOM 512 CA SER A 35 3.379 -4.400 -8.512 1.00 0.00 C ATOM 513 C SER A 35 2.612 -3.084 -8.588 1.00 0.00 C ATOM 514 O SER A 35 1.534 -3.012 -9.180 1.00 0.00 O ATOM 515 CB SER A 35 3.405 -4.906 -7.069 1.00 0.00 C ATOM 516 OG SER A 35 4.603 -5.611 -6.796 1.00 0.00 O ATOM 0 H SER A 35 5.466 -4.368 -8.315 1.00 0.00 H new ATOM 0 HA SER A 35 2.870 -5.133 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.311 -4.064 -6.384 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.549 -5.557 -6.893 1.00 0.00 H new ATOM 0 HG SER A 35 4.529 -6.057 -5.926 1.00 0.00 H new ATOM 522 N PHE A 36 3.175 -2.042 -7.984 1.00 0.00 N ATOM 523 CA PHE A 36 2.546 -0.727 -7.981 1.00 0.00 C ATOM 524 C PHE A 36 2.660 -0.067 -9.352 1.00 0.00 C ATOM 525 O PHE A 36 1.809 0.735 -9.739 1.00 0.00 O ATOM 526 CB PHE A 36 3.188 0.167 -6.917 1.00 0.00 C ATOM 527 CG PHE A 36 2.821 -0.216 -5.512 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.634 0.225 -4.949 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.662 -1.015 -4.755 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.292 -0.125 -3.655 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.325 -1.369 -3.462 1.00 0.00 C ATOM 532 CZ PHE A 36 2.140 -0.922 -2.911 1.00 0.00 C ATOM 0 H PHE A 36 4.066 -2.084 -7.490 1.00 0.00 H new ATOM 0 HA PHE A 36 1.490 -0.858 -7.746 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.272 0.126 -7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.889 1.200 -7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.968 0.849 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.591 -1.365 -5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.364 0.224 -3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.988 -1.995 -2.883 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.877 -1.195 -1.900 1.00 0.00 H new ATOM 542 N SER A 37 3.716 -0.409 -10.081 1.00 0.00 N ATOM 543 CA SER A 37 3.945 0.153 -11.407 1.00 0.00 C ATOM 544 C SER A 37 2.736 -0.077 -12.311 1.00 0.00 C ATOM 545 O SER A 37 2.496 0.683 -13.248 1.00 0.00 O ATOM 546 CB SER A 37 5.193 -0.468 -12.040 1.00 0.00 C ATOM 547 OG SER A 37 5.130 -0.409 -13.454 1.00 0.00 O ATOM 0 H SER A 37 4.428 -1.073 -9.776 1.00 0.00 H new ATOM 0 HA SER A 37 4.097 1.227 -11.297 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.082 0.057 -11.690 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.289 -1.506 -11.720 1.00 0.00 H new ATOM 0 HG SER A 37 5.939 -0.810 -13.835 1.00 0.00 H new ATOM 553 N GLU A 38 1.979 -1.130 -12.018 1.00 0.00 N ATOM 554 CA GLU A 38 0.796 -1.459 -12.804 1.00 0.00 C ATOM 555 C GLU A 38 -0.255 -0.358 -12.695 1.00 0.00 C ATOM 556 O GLU A 38 -1.034 -0.134 -13.621 1.00 0.00 O ATOM 557 CB GLU A 38 0.204 -2.793 -12.340 1.00 0.00 C ATOM 558 CG GLU A 38 1.153 -3.969 -12.499 1.00 0.00 C ATOM 559 CD GLU A 38 0.587 -5.058 -13.389 1.00 0.00 C ATOM 560 OE1 GLU A 38 -0.416 -5.688 -12.990 1.00 0.00 O ATOM 561 OE2 GLU A 38 1.146 -5.283 -14.482 1.00 0.00 O ATOM 0 H GLU A 38 2.163 -1.768 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 38 1.098 -1.546 -13.848 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.083 -2.708 -11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.706 -2.993 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.096 -3.616 -12.917 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.376 -4.387 -11.517 1.00 0.00 H new ATOM 568 N PHE A 39 -0.271 0.325 -11.555 1.00 0.00 N ATOM 569 CA PHE A 39 -1.226 1.402 -11.322 1.00 0.00 C ATOM 570 C PHE A 39 -0.707 2.721 -11.887 1.00 0.00 C ATOM 571 O PHE A 39 -1.406 3.406 -12.633 1.00 0.00 O ATOM 572 CB PHE A 39 -1.505 1.550 -9.826 1.00 0.00 C ATOM 573 CG PHE A 39 -2.488 0.546 -9.296 1.00 0.00 C ATOM 574 CD1 PHE A 39 -3.849 0.813 -9.312 1.00 0.00 C ATOM 575 CD2 PHE A 39 -2.055 -0.666 -8.784 1.00 0.00 C ATOM 576 CE1 PHE A 39 -4.756 -0.108 -8.825 1.00 0.00 C ATOM 577 CE2 PHE A 39 -2.957 -1.592 -8.296 1.00 0.00 C ATOM 578 CZ PHE A 39 -4.310 -1.314 -8.318 1.00 0.00 C ATOM 0 H PHE A 39 0.367 0.152 -10.778 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.154 1.148 -11.834 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.568 1.452 -9.279 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.884 2.554 -9.633 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.204 1.752 -9.710 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.999 -0.890 -8.766 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.813 0.114 -8.840 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.605 -2.532 -7.898 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.017 -2.037 -7.940 1.00 0.00 H new ATOM 588 N GLY A 40 0.524 3.069 -11.525 1.00 0.00 N ATOM 589 CA GLY A 40 1.116 4.305 -12.005 1.00 0.00 C ATOM 590 C GLY A 40 2.629 4.297 -11.911 1.00 0.00 C ATOM 591 O GLY A 40 3.204 3.579 -11.093 1.00 0.00 O ATOM 0 H GLY A 40 1.122 2.518 -10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.820 4.468 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.723 5.141 -11.426 1.00 0.00 H new ATOM 595 N LYS A 41 3.277 5.097 -12.752 1.00 0.00 N ATOM 596 CA LYS A 41 4.731 5.181 -12.761 1.00 0.00 C ATOM 597 C LYS A 41 5.266 5.537 -11.378 1.00 0.00 C ATOM 598 O LYS A 41 5.166 6.684 -10.939 1.00 0.00 O ATOM 599 CB LYS A 41 5.197 6.222 -13.782 1.00 0.00 C ATOM 600 CG LYS A 41 5.764 5.615 -15.054 1.00 0.00 C ATOM 601 CD LYS A 41 7.057 4.864 -14.785 1.00 0.00 C ATOM 602 CE LYS A 41 8.075 5.092 -15.892 1.00 0.00 C ATOM 603 NZ LYS A 41 8.612 6.482 -15.874 1.00 0.00 N ATOM 0 H LYS A 41 2.816 5.697 -13.437 1.00 0.00 H new ATOM 0 HA LYS A 41 5.123 4.203 -13.042 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.357 6.867 -14.040 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.956 6.855 -13.322 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.032 4.936 -15.492 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.945 6.403 -15.785 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.476 5.188 -13.832 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.848 3.798 -14.695 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.896 4.384 -15.782 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.611 4.894 -16.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.506 6.516 -16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.924 7.126 -16.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.782 6.776 -14.891 1.00 0.00 H new ATOM 617 N LEU A 42 5.833 4.548 -10.695 1.00 0.00 N ATOM 618 CA LEU A 42 6.384 4.758 -9.360 1.00 0.00 C ATOM 619 C LEU A 42 7.504 5.794 -9.391 1.00 0.00 C ATOM 620 O LEU A 42 7.904 6.258 -10.458 1.00 0.00 O ATOM 621 CB LEU A 42 6.909 3.440 -8.791 1.00 0.00 C ATOM 622 CG LEU A 42 5.856 2.372 -8.488 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.507 1.135 -7.892 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.794 2.924 -7.549 1.00 0.00 C ATOM 0 H LEU A 42 5.923 3.594 -11.043 1.00 0.00 H new ATOM 0 HA LEU A 42 5.586 5.131 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.627 3.023 -9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.454 3.656 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 42 5.374 2.088 -9.423 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.743 0.386 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.230 0.728 -8.599 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.016 1.402 -6.966 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.053 2.152 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.261 3.236 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.306 3.780 -8.015 1.00 0.00 H new ATOM 636 N GLU A 43 8.006 6.150 -8.212 1.00 0.00 N ATOM 637 CA GLU A 43 9.081 7.129 -8.105 1.00 0.00 C ATOM 638 C GLU A 43 10.334 6.498 -7.507 1.00 0.00 C ATOM 639 O GLU A 43 11.440 6.683 -8.018 1.00 0.00 O ATOM 640 CB GLU A 43 8.636 8.316 -7.248 1.00 0.00 C ATOM 641 CG GLU A 43 8.719 9.652 -7.967 1.00 0.00 C ATOM 642 CD GLU A 43 10.148 10.109 -8.185 1.00 0.00 C ATOM 643 OE1 GLU A 43 10.810 9.571 -9.098 1.00 0.00 O ATOM 644 OE2 GLU A 43 10.605 11.004 -7.444 1.00 0.00 O ATOM 0 H GLU A 43 7.686 5.775 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 43 9.317 7.483 -9.109 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.609 8.152 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.254 8.357 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.216 9.574 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.185 10.406 -7.388 1.00 0.00 H new ATOM 651 N ARG A 44 10.155 5.752 -6.422 1.00 0.00 N ATOM 652 CA ARG A 44 11.271 5.095 -5.753 1.00 0.00 C ATOM 653 C ARG A 44 10.778 4.222 -4.602 1.00 0.00 C ATOM 654 O ARG A 44 9.927 4.637 -3.815 1.00 0.00 O ATOM 655 CB ARG A 44 12.263 6.135 -5.228 1.00 0.00 C ATOM 656 CG ARG A 44 13.691 5.621 -5.135 1.00 0.00 C ATOM 657 CD ARG A 44 14.663 6.547 -5.848 1.00 0.00 C ATOM 658 NE ARG A 44 16.050 6.269 -5.485 1.00 0.00 N ATOM 659 CZ ARG A 44 17.073 7.036 -5.848 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.865 8.121 -6.579 1.00 0.00 N ATOM 661 NH2 ARG A 44 18.307 6.717 -5.478 1.00 0.00 N ATOM 0 H ARG A 44 9.247 5.587 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 44 11.773 4.458 -6.481 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.242 7.008 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.940 6.467 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.978 5.527 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.749 4.624 -5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.542 6.439 -6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.424 7.582 -5.602 1.00 0.00 H new ATOM 0 HE ARG A 44 16.244 5.441 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.918 8.370 -6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.652 8.708 -6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.471 5.883 -4.915 1.00 0.00 H new ATOM 0 HH22 ARG A 44 19.091 7.306 -5.757 1.00 0.00 H new ATOM 675 N VAL A 45 11.317 3.011 -4.511 1.00 0.00 N ATOM 676 CA VAL A 45 10.932 2.079 -3.458 1.00 0.00 C ATOM 677 C VAL A 45 12.135 1.682 -2.610 1.00 0.00 C ATOM 678 O VAL A 45 13.259 1.600 -3.107 1.00 0.00 O ATOM 679 CB VAL A 45 10.285 0.809 -4.041 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.797 -0.101 -2.924 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.147 1.174 -4.980 1.00 0.00 C ATOM 0 H VAL A 45 12.022 2.652 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 45 10.203 2.592 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 45 11.038 0.268 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.343 -0.994 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.640 -0.390 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.059 0.427 -2.321 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.702 0.264 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.391 1.737 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.532 1.783 -5.798 1.00 0.00 H new ATOM 691 N LYS A 46 11.892 1.434 -1.327 1.00 0.00 N ATOM 692 CA LYS A 46 12.955 1.043 -0.408 1.00 0.00 C ATOM 693 C LYS A 46 12.448 0.022 0.606 1.00 0.00 C ATOM 694 O LYS A 46 11.349 0.160 1.145 1.00 0.00 O ATOM 695 CB LYS A 46 13.505 2.271 0.320 1.00 0.00 C ATOM 696 CG LYS A 46 14.986 2.174 0.642 1.00 0.00 C ATOM 697 CD LYS A 46 15.829 2.106 -0.621 1.00 0.00 C ATOM 698 CE LYS A 46 17.251 2.582 -0.369 1.00 0.00 C ATOM 699 NZ LYS A 46 17.299 4.032 -0.032 1.00 0.00 N ATOM 0 H LYS A 46 10.968 1.497 -0.900 1.00 0.00 H new ATOM 0 HA LYS A 46 13.755 0.585 -0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.332 3.155 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.949 2.413 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.287 3.037 1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.170 1.289 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.848 1.081 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.372 2.718 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.688 2.005 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.859 2.395 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.240 4.411 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.577 4.540 -0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.113 4.159 0.983 1.00 0.00 H new ATOM 713 N LYS A 47 13.255 -1.001 0.862 1.00 0.00 N ATOM 714 CA LYS A 47 12.891 -2.044 1.815 1.00 0.00 C ATOM 715 C LYS A 47 13.361 -1.685 3.221 1.00 0.00 C ATOM 716 O LYS A 47 14.537 -1.844 3.552 1.00 0.00 O ATOM 717 CB LYS A 47 13.495 -3.384 1.389 1.00 0.00 C ATOM 718 CG LYS A 47 12.550 -4.561 1.565 1.00 0.00 C ATOM 719 CD LYS A 47 12.567 -5.476 0.352 1.00 0.00 C ATOM 720 CE LYS A 47 11.828 -6.776 0.625 1.00 0.00 C ATOM 721 NZ LYS A 47 12.692 -7.966 0.389 1.00 0.00 N ATOM 0 H LYS A 47 14.166 -1.131 0.423 1.00 0.00 H new ATOM 0 HA LYS A 47 11.804 -2.129 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.794 -3.322 0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.400 -3.566 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.833 -5.127 2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.537 -4.194 1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.109 -4.967 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.598 -5.694 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.474 -6.783 1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.947 -6.834 -0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.342 -8.491 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.669 -7.656 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.669 -8.583 1.226 1.00 0.00 H new ATOM 735 N LEU A 48 12.436 -1.204 4.044 1.00 0.00 N ATOM 736 CA LEU A 48 12.755 -0.825 5.415 1.00 0.00 C ATOM 737 C LEU A 48 11.846 -1.544 6.405 1.00 0.00 C ATOM 738 O LEU A 48 10.650 -1.265 6.483 1.00 0.00 O ATOM 739 CB LEU A 48 12.623 0.690 5.591 1.00 0.00 C ATOM 740 CG LEU A 48 13.794 1.530 5.084 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.081 1.132 5.791 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.944 1.383 3.577 1.00 0.00 C ATOM 0 H LEU A 48 11.459 -1.067 3.785 1.00 0.00 H new ATOM 0 HA LEU A 48 13.785 -1.120 5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.719 1.017 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.483 0.901 6.651 1.00 0.00 H new ATOM 0 HG LEU A 48 13.589 2.577 5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.905 1.741 5.417 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.971 1.290 6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.291 0.080 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.783 1.988 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.126 0.337 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.030 1.718 3.086 1.00 0.00 H new ATOM 754 N LYS A 49 12.422 -2.473 7.163 1.00 0.00 N ATOM 755 CA LYS A 49 11.665 -3.231 8.151 1.00 0.00 C ATOM 756 C LYS A 49 10.587 -4.076 7.480 1.00 0.00 C ATOM 757 O LYS A 49 10.627 -4.305 6.270 1.00 0.00 O ATOM 758 CB LYS A 49 11.026 -2.286 9.171 1.00 0.00 C ATOM 759 CG LYS A 49 11.971 -1.210 9.677 1.00 0.00 C ATOM 760 CD LYS A 49 12.005 -1.167 11.196 1.00 0.00 C ATOM 761 CE LYS A 49 13.174 -0.337 11.704 1.00 0.00 C ATOM 762 NZ LYS A 49 12.832 0.393 12.956 1.00 0.00 N ATOM 0 H LYS A 49 13.411 -2.718 7.111 1.00 0.00 H new ATOM 0 HA LYS A 49 12.356 -3.898 8.667 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.156 -1.810 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.665 -2.869 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.975 -1.397 9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.659 -0.239 9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.071 -0.749 11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.080 -2.181 11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.030 -0.987 11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.473 0.377 10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.654 0.947 13.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.031 1.032 12.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.571 -0.290 13.696 1.00 0.00 H new ATOM 776 N ASP A 50 9.623 -4.534 8.271 1.00 0.00 N ATOM 777 CA ASP A 50 8.532 -5.351 7.753 1.00 0.00 C ATOM 778 C ASP A 50 7.724 -4.582 6.712 1.00 0.00 C ATOM 779 O ASP A 50 6.961 -5.169 5.946 1.00 0.00 O ATOM 780 CB ASP A 50 7.620 -5.804 8.893 1.00 0.00 C ATOM 781 CG ASP A 50 7.554 -7.314 9.018 1.00 0.00 C ATOM 782 OD1 ASP A 50 8.614 -7.964 8.902 1.00 0.00 O ATOM 783 OD2 ASP A 50 6.444 -7.845 9.231 1.00 0.00 O ATOM 0 H ASP A 50 9.575 -4.353 9.274 1.00 0.00 H new ATOM 0 HA ASP A 50 8.964 -6.229 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.978 -5.380 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.616 -5.412 8.729 1.00 0.00 H new ATOM 788 N TYR A 51 7.895 -3.265 6.694 1.00 0.00 N ATOM 789 CA TYR A 51 7.180 -2.414 5.751 1.00 0.00 C ATOM 790 C TYR A 51 8.111 -1.915 4.650 1.00 0.00 C ATOM 791 O TYR A 51 9.273 -2.314 4.578 1.00 0.00 O ATOM 792 CB TYR A 51 6.552 -1.225 6.480 1.00 0.00 C ATOM 793 CG TYR A 51 7.523 -0.472 7.360 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.381 0.480 6.826 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.583 -0.714 8.727 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.271 1.170 7.626 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.468 -0.028 9.536 1.00 0.00 C ATOM 798 CZ TYR A 51 9.311 0.912 8.980 1.00 0.00 C ATOM 799 OH TYR A 51 10.195 1.598 9.782 1.00 0.00 O ATOM 0 H TYR A 51 8.523 -2.763 7.322 1.00 0.00 H new ATOM 0 HA TYR A 51 6.391 -3.009 5.291 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.134 -0.538 5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.722 -1.581 7.091 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.352 0.685 5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.926 -1.451 9.165 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.931 1.907 7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.500 -0.226 10.597 1.00 0.00 H new ATOM 0 HH TYR A 51 10.095 1.299 10.710 1.00 0.00 H new ATOM 809 N ALA A 52 7.591 -1.041 3.796 1.00 0.00 N ATOM 810 CA ALA A 52 8.376 -0.486 2.699 1.00 0.00 C ATOM 811 C ALA A 52 7.990 0.964 2.428 1.00 0.00 C ATOM 812 O ALA A 52 6.907 1.411 2.810 1.00 0.00 O ATOM 813 CB ALA A 52 8.197 -1.325 1.444 1.00 0.00 C ATOM 0 H ALA A 52 6.630 -0.701 3.842 1.00 0.00 H new ATOM 0 HA ALA A 52 9.426 -0.507 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.789 -0.899 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.529 -2.345 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.145 -1.334 1.159 1.00 0.00 H new ATOM 819 N PHE A 53 8.881 1.696 1.767 1.00 0.00 N ATOM 820 CA PHE A 53 8.635 3.096 1.447 1.00 0.00 C ATOM 821 C PHE A 53 8.645 3.318 -0.063 1.00 0.00 C ATOM 822 O PHE A 53 9.698 3.288 -0.699 1.00 0.00 O ATOM 823 CB PHE A 53 9.687 3.986 2.111 1.00 0.00 C ATOM 824 CG PHE A 53 9.457 4.189 3.582 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.217 4.586 4.056 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.482 3.983 4.491 1.00 0.00 C ATOM 827 CE1 PHE A 53 8.003 4.772 5.408 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.274 4.167 5.844 1.00 0.00 C ATOM 829 CZ PHE A 53 9.033 4.563 6.304 1.00 0.00 C ATOM 0 H PHE A 53 9.781 1.342 1.443 1.00 0.00 H new ATOM 0 HA PHE A 53 7.650 3.363 1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.672 3.543 1.963 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.696 4.957 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.408 4.752 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.455 3.675 4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.031 5.081 5.764 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.081 4.001 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.869 4.709 7.361 1.00 0.00 H new ATOM 839 N VAL A 54 7.464 3.541 -0.631 1.00 0.00 N ATOM 840 CA VAL A 54 7.336 3.769 -2.065 1.00 0.00 C ATOM 841 C VAL A 54 6.832 5.178 -2.354 1.00 0.00 C ATOM 842 O VAL A 54 5.975 5.702 -1.643 1.00 0.00 O ATOM 843 CB VAL A 54 6.376 2.751 -2.711 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.250 3.010 -4.205 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.851 1.330 -2.446 1.00 0.00 C ATOM 0 H VAL A 54 6.582 3.569 -0.119 1.00 0.00 H new ATOM 0 HA VAL A 54 8.330 3.646 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 54 5.390 2.870 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.568 2.282 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.862 4.015 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.230 2.919 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.162 0.624 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.847 1.195 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.885 1.152 -1.371 1.00 0.00 H new ATOM 855 N HIS A 55 7.372 5.788 -3.405 1.00 0.00 N ATOM 856 CA HIS A 55 6.978 7.139 -3.791 1.00 0.00 C ATOM 857 C HIS A 55 6.235 7.128 -5.123 1.00 0.00 C ATOM 858 O HIS A 55 6.439 6.242 -5.952 1.00 0.00 O ATOM 859 CB HIS A 55 8.206 8.045 -3.886 1.00 0.00 C ATOM 860 CG HIS A 55 8.816 8.368 -2.556 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.631 9.574 -1.916 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.613 7.631 -1.746 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.287 9.567 -0.770 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.891 8.400 -0.643 1.00 0.00 N ATOM 0 H HIS A 55 8.083 5.369 -4.004 1.00 0.00 H new ATOM 0 HA HIS A 55 6.308 7.528 -3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.956 7.562 -4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.925 8.974 -4.383 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.964 6.627 -1.933 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.323 10.378 -0.058 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.470 8.116 0.147 1.00 0.00 H new ATOM 872 N PHE A 56 5.371 8.119 -5.322 1.00 0.00 N ATOM 873 CA PHE A 56 4.596 8.223 -6.553 1.00 0.00 C ATOM 874 C PHE A 56 4.769 9.599 -7.189 1.00 0.00 C ATOM 875 O PHE A 56 5.072 10.576 -6.507 1.00 0.00 O ATOM 876 CB PHE A 56 3.115 7.961 -6.272 1.00 0.00 C ATOM 877 CG PHE A 56 2.782 6.504 -6.125 1.00 0.00 C ATOM 878 CD1 PHE A 56 3.008 5.845 -4.928 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.242 5.793 -7.185 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.702 4.504 -4.788 1.00 0.00 C ATOM 881 CE2 PHE A 56 1.934 4.453 -7.052 1.00 0.00 C ATOM 882 CZ PHE A 56 2.165 3.807 -5.853 1.00 0.00 C ATOM 0 H PHE A 56 5.190 8.861 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 56 4.965 7.471 -7.250 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.828 8.485 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.520 8.382 -7.082 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.429 6.386 -4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.060 6.292 -8.125 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.882 4.003 -3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.513 3.910 -7.885 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.926 2.759 -5.748 1.00 0.00 H new ATOM 892 N GLU A 57 4.574 9.664 -8.503 1.00 0.00 N ATOM 893 CA GLU A 57 4.710 10.920 -9.232 1.00 0.00 C ATOM 894 C GLU A 57 3.819 12.001 -8.626 1.00 0.00 C ATOM 895 O GLU A 57 4.114 13.191 -8.727 1.00 0.00 O ATOM 896 CB GLU A 57 4.355 10.719 -10.708 1.00 0.00 C ATOM 897 CG GLU A 57 5.564 10.708 -11.628 1.00 0.00 C ATOM 898 CD GLU A 57 5.420 11.670 -12.791 1.00 0.00 C ATOM 899 OE1 GLU A 57 5.750 12.862 -12.619 1.00 0.00 O ATOM 900 OE2 GLU A 57 4.978 11.232 -13.873 1.00 0.00 O ATOM 0 H GLU A 57 4.322 8.864 -9.083 1.00 0.00 H new ATOM 0 HA GLU A 57 5.748 11.244 -9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.816 9.778 -10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.677 11.513 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.454 10.967 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.715 9.699 -12.012 1.00 0.00 H new ATOM 907 N ASP A 58 2.728 11.576 -7.999 1.00 0.00 N ATOM 908 CA ASP A 58 1.793 12.506 -7.376 1.00 0.00 C ATOM 909 C ASP A 58 0.890 11.784 -6.381 1.00 0.00 C ATOM 910 O ASP A 58 1.113 10.617 -6.059 1.00 0.00 O ATOM 911 CB ASP A 58 0.945 13.201 -8.442 1.00 0.00 C ATOM 912 CG ASP A 58 1.049 14.712 -8.371 1.00 0.00 C ATOM 913 OD1 ASP A 58 2.184 15.225 -8.275 1.00 0.00 O ATOM 914 OD2 ASP A 58 -0.004 15.381 -8.411 1.00 0.00 O ATOM 0 H ASP A 58 2.469 10.594 -7.909 1.00 0.00 H new ATOM 0 HA ASP A 58 2.371 13.256 -6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.260 12.864 -9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.097 12.906 -8.322 1.00 0.00 H new ATOM 919 N ARG A 59 -0.129 12.486 -5.896 1.00 0.00 N ATOM 920 CA ARG A 59 -1.064 11.913 -4.936 1.00 0.00 C ATOM 921 C ARG A 59 -2.128 11.080 -5.645 1.00 0.00 C ATOM 922 O ARG A 59 -2.631 10.100 -5.096 1.00 0.00 O ATOM 923 CB ARG A 59 -1.729 13.021 -4.117 1.00 0.00 C ATOM 924 CG ARG A 59 -2.874 12.530 -3.246 1.00 0.00 C ATOM 925 CD ARG A 59 -4.223 12.952 -3.808 1.00 0.00 C ATOM 926 NE ARG A 59 -5.318 12.641 -2.894 1.00 0.00 N ATOM 927 CZ ARG A 59 -6.600 12.803 -3.202 1.00 0.00 C ATOM 928 NH1 ARG A 59 -6.946 13.268 -4.394 1.00 0.00 N ATOM 929 NH2 ARG A 59 -7.540 12.499 -2.316 1.00 0.00 N ATOM 0 H ARG A 59 -0.328 13.453 -6.153 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.505 11.261 -4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.978 13.493 -3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.103 13.788 -4.795 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.834 11.443 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.760 12.925 -2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.213 14.023 -4.010 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.392 12.450 -4.760 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.086 12.280 -1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.227 13.503 -5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.931 13.391 -4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.278 12.141 -1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.524 12.624 -2.553 1.00 0.00 H new ATOM 943 N GLY A 60 -2.467 11.478 -6.867 1.00 0.00 N ATOM 944 CA GLY A 60 -3.470 10.758 -7.630 1.00 0.00 C ATOM 945 C GLY A 60 -3.042 9.342 -7.959 1.00 0.00 C ATOM 946 O GLY A 60 -3.879 8.454 -8.117 1.00 0.00 O ATOM 0 H GLY A 60 -2.065 12.286 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.402 10.731 -7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.674 11.297 -8.555 1.00 0.00 H new ATOM 950 N ALA A 61 -1.735 9.130 -8.065 1.00 0.00 N ATOM 951 CA ALA A 61 -1.197 7.812 -8.377 1.00 0.00 C ATOM 952 C ALA A 61 -1.090 6.951 -7.123 1.00 0.00 C ATOM 953 O ALA A 61 -1.112 5.724 -7.198 1.00 0.00 O ATOM 954 CB ALA A 61 0.164 7.942 -9.047 1.00 0.00 C ATOM 0 H ALA A 61 -1.028 9.855 -7.939 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.884 7.321 -9.066 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.554 6.950 -9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.062 8.512 -9.970 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.852 8.457 -8.377 1.00 0.00 H new ATOM 960 N ALA A 62 -0.974 7.603 -5.971 1.00 0.00 N ATOM 961 CA ALA A 62 -0.865 6.898 -4.700 1.00 0.00 C ATOM 962 C ALA A 62 -2.240 6.494 -4.177 1.00 0.00 C ATOM 963 O ALA A 62 -2.439 5.361 -3.737 1.00 0.00 O ATOM 964 CB ALA A 62 -0.143 7.761 -3.677 1.00 0.00 C ATOM 0 H ALA A 62 -0.953 8.620 -5.892 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.286 5.990 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.069 7.221 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.858 7.995 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.699 8.686 -3.524 1.00 0.00 H new ATOM 970 N VAL A 63 -3.185 7.426 -4.230 1.00 0.00 N ATOM 971 CA VAL A 63 -4.541 7.166 -3.761 1.00 0.00 C ATOM 972 C VAL A 63 -5.228 6.112 -4.623 1.00 0.00 C ATOM 973 O VAL A 63 -5.675 5.080 -4.121 1.00 0.00 O ATOM 974 CB VAL A 63 -5.393 8.450 -3.765 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.802 8.159 -3.274 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.735 9.527 -2.917 1.00 0.00 C ATOM 0 H VAL A 63 -3.037 8.368 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.457 6.798 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.461 8.817 -4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.388 9.078 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.270 7.423 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.759 7.767 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.350 10.427 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.634 9.172 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.748 9.755 -3.320 1.00 0.00 H new ATOM 986 N LYS A 64 -5.306 6.376 -5.922 1.00 0.00 N ATOM 987 CA LYS A 64 -5.937 5.451 -6.855 1.00 0.00 C ATOM 988 C LYS A 64 -5.316 4.061 -6.745 1.00 0.00 C ATOM 989 O LYS A 64 -5.985 3.053 -6.974 1.00 0.00 O ATOM 990 CB LYS A 64 -5.802 5.969 -8.289 1.00 0.00 C ATOM 991 CG LYS A 64 -6.587 5.157 -9.305 1.00 0.00 C ATOM 992 CD LYS A 64 -5.673 4.280 -10.144 1.00 0.00 C ATOM 993 CE LYS A 64 -6.467 3.301 -10.995 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.187 3.474 -12.447 1.00 0.00 N ATOM 0 H LYS A 64 -4.939 7.224 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.994 5.380 -6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.139 7.005 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.749 5.966 -8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.317 4.534 -8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.146 5.829 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.056 4.907 -10.788 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.995 3.730 -9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.224 2.281 -10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.532 3.441 -10.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.747 2.789 -12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.443 4.439 -12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.175 3.315 -12.627 1.00 0.00 H new ATOM 1008 N ALA A 65 -4.036 4.016 -6.392 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.328 2.750 -6.249 1.00 0.00 C ATOM 1010 C ALA A 65 -3.673 2.074 -4.926 1.00 0.00 C ATOM 1011 O ALA A 65 -4.205 0.965 -4.905 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.826 2.971 -6.354 1.00 0.00 C ATOM 0 H ALA A 65 -3.468 4.841 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.645 2.091 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.309 2.017 -6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.589 3.403 -7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.502 3.651 -5.566 1.00 0.00 H new ATOM 1018 N MET A 66 -3.367 2.751 -3.824 1.00 0.00 N ATOM 1019 CA MET A 66 -3.646 2.216 -2.496 1.00 0.00 C ATOM 1020 C MET A 66 -5.123 1.859 -2.354 1.00 0.00 C ATOM 1021 O MET A 66 -5.487 0.991 -1.559 1.00 0.00 O ATOM 1022 CB MET A 66 -3.247 3.227 -1.420 1.00 0.00 C ATOM 1023 CG MET A 66 -3.673 2.823 -0.018 1.00 0.00 C ATOM 1024 SD MET A 66 -5.197 3.632 0.506 1.00 0.00 S ATOM 1025 CE MET A 66 -4.684 5.349 0.504 1.00 0.00 C ATOM 0 H MET A 66 -2.926 3.671 -3.824 1.00 0.00 H new ATOM 0 HA MET A 66 -3.057 1.308 -2.366 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.165 3.357 -1.439 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.688 4.194 -1.660 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.809 1.742 0.019 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.876 3.068 0.684 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.273 5.906 1.233 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.628 5.413 0.766 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.839 5.774 -0.488 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.967 2.533 -3.127 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.403 2.286 -3.087 1.00 0.00 C ATOM 1037 C ASP A 67 -7.707 0.808 -3.309 1.00 0.00 C ATOM 1038 O ASP A 67 -8.458 0.198 -2.548 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.117 3.131 -4.144 1.00 0.00 C ATOM 1040 CG ASP A 67 -9.055 4.152 -3.531 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -8.614 4.902 -2.635 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -10.232 4.202 -3.947 1.00 0.00 O ATOM 0 H ASP A 67 -5.681 3.255 -3.789 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.768 2.569 -2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.376 3.644 -4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.681 2.476 -4.808 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.121 0.240 -4.358 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.331 -1.167 -4.680 1.00 0.00 C ATOM 1049 C GLU A 68 -6.262 -2.040 -4.031 1.00 0.00 C ATOM 1050 O GLU A 68 -6.562 -3.098 -3.478 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.322 -1.372 -6.197 1.00 0.00 C ATOM 1052 CG GLU A 68 -8.170 -0.364 -6.953 1.00 0.00 C ATOM 1053 CD GLU A 68 -9.651 -0.516 -6.665 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.318 -1.292 -7.382 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.143 0.140 -5.723 1.00 0.00 O ATOM 0 H GLU A 68 -6.498 0.731 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.303 -1.462 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.295 -1.312 -6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.681 -2.377 -6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.853 0.644 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.998 -0.480 -8.023 1.00 0.00 H new ATOM 1062 N MET A 69 -5.014 -1.589 -4.103 1.00 0.00 N ATOM 1063 CA MET A 69 -3.900 -2.329 -3.522 1.00 0.00 C ATOM 1064 C MET A 69 -4.182 -2.679 -2.064 1.00 0.00 C ATOM 1065 O MET A 69 -3.709 -3.695 -1.557 1.00 0.00 O ATOM 1066 CB MET A 69 -2.610 -1.513 -3.623 1.00 0.00 C ATOM 1067 CG MET A 69 -2.228 -1.154 -5.049 1.00 0.00 C ATOM 1068 SD MET A 69 -0.791 -2.072 -5.635 1.00 0.00 S ATOM 1069 CE MET A 69 -1.327 -3.757 -5.352 1.00 0.00 C ATOM 0 H MET A 69 -4.749 -0.715 -4.558 1.00 0.00 H new ATOM 0 HA MET A 69 -3.779 -3.256 -4.083 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.723 -0.596 -3.044 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.796 -2.078 -3.169 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.074 -1.351 -5.708 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.020 -0.086 -5.107 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.636 -4.445 -5.839 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.345 -3.958 -4.281 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.327 -3.895 -5.763 1.00 0.00 H new ATOM 1079 N ASN A 70 -4.954 -1.829 -1.395 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.297 -2.049 0.006 1.00 0.00 C ATOM 1081 C ASN A 70 -6.011 -3.384 0.188 1.00 0.00 C ATOM 1082 O ASN A 70 -7.180 -3.529 -0.166 1.00 0.00 O ATOM 1083 CB ASN A 70 -6.181 -0.911 0.520 1.00 0.00 C ATOM 1084 CG ASN A 70 -6.853 -1.251 1.837 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -6.256 -1.111 2.905 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -8.101 -1.698 1.766 1.00 0.00 N ATOM 0 H ASN A 70 -5.354 -0.982 -1.800 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.372 -2.071 0.582 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.576 -0.013 0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.943 -0.681 -0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.605 -1.941 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.556 -1.798 0.859 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.298 -4.359 0.746 1.00 0.00 N ATOM 1094 CA GLY A 71 -5.880 -5.670 0.966 1.00 0.00 C ATOM 1095 C GLY A 71 -5.627 -6.618 -0.190 1.00 0.00 C ATOM 1096 O GLY A 71 -6.541 -7.300 -0.655 1.00 0.00 O ATOM 0 H GLY A 71 -4.329 -4.264 1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.468 -6.098 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.954 -5.566 1.118 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.383 -6.661 -0.656 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.012 -7.532 -1.765 1.00 0.00 C ATOM 1102 C LYS A 72 -3.158 -8.699 -1.278 1.00 0.00 C ATOM 1103 O LYS A 72 -2.716 -8.718 -0.130 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.252 -6.740 -2.830 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.111 -6.337 -4.016 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.315 -7.497 -4.977 1.00 0.00 C ATOM 1107 CE LYS A 72 -3.233 -7.533 -6.045 1.00 0.00 C ATOM 1108 NZ LYS A 72 -3.488 -8.596 -7.056 1.00 0.00 N ATOM 0 H LYS A 72 -3.615 -6.103 -0.283 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.927 -7.932 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.833 -5.843 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.413 -7.338 -3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.079 -5.982 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.640 -5.506 -4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.311 -8.435 -4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.293 -7.411 -5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.180 -6.564 -6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.264 -7.703 -5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.729 -8.588 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.513 -9.523 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.401 -8.420 -7.523 1.00 0.00 H new ATOM 1122 N GLU A 73 -2.928 -9.667 -2.159 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.127 -10.836 -1.818 1.00 0.00 C ATOM 1124 C GLU A 73 -0.883 -10.919 -2.699 1.00 0.00 C ATOM 1125 O GLU A 73 -0.954 -11.351 -3.850 1.00 0.00 O ATOM 1126 CB GLU A 73 -2.956 -12.113 -1.966 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.140 -13.388 -1.835 1.00 0.00 C ATOM 1128 CD GLU A 73 -2.985 -14.639 -1.976 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -3.562 -15.083 -0.962 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -3.070 -15.172 -3.102 1.00 0.00 O ATOM 0 H GLU A 73 -3.285 -9.665 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.811 -10.736 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.742 -12.115 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.449 -12.105 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.359 -13.394 -2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.642 -13.398 -0.866 1.00 0.00 H new ATOM 1137 N ILE A 74 0.253 -10.502 -2.150 1.00 0.00 N ATOM 1138 CA ILE A 74 1.511 -10.529 -2.886 1.00 0.00 C ATOM 1139 C ILE A 74 2.410 -11.657 -2.394 1.00 0.00 C ATOM 1140 O ILE A 74 2.823 -11.675 -1.234 1.00 0.00 O ATOM 1141 CB ILE A 74 2.267 -9.193 -2.758 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.394 -8.039 -3.257 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.574 -9.248 -3.534 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.933 -6.673 -2.894 1.00 0.00 C ATOM 0 H ILE A 74 0.328 -10.142 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 74 1.261 -10.697 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 74 2.498 -9.022 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.300 -8.107 -4.341 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.392 -8.147 -2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.097 -8.297 -3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.199 -10.049 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.364 -9.438 -4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.264 -5.904 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.001 -6.585 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.923 -6.545 -3.331 1.00 0.00 H new ATOM 1156 N GLU A 75 2.713 -12.598 -3.285 1.00 0.00 N ATOM 1157 CA GLU A 75 3.564 -13.730 -2.940 1.00 0.00 C ATOM 1158 C GLU A 75 2.933 -14.570 -1.835 1.00 0.00 C ATOM 1159 O GLU A 75 3.626 -15.090 -0.961 1.00 0.00 O ATOM 1160 CB GLU A 75 4.946 -13.241 -2.498 1.00 0.00 C ATOM 1161 CG GLU A 75 6.087 -14.116 -2.989 1.00 0.00 C ATOM 1162 CD GLU A 75 6.058 -15.506 -2.382 1.00 0.00 C ATOM 1163 OE1 GLU A 75 6.192 -15.615 -1.146 1.00 0.00 O ATOM 1164 OE2 GLU A 75 5.904 -16.482 -3.144 1.00 0.00 O ATOM 0 H GLU A 75 2.382 -12.598 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 75 3.673 -14.353 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.096 -12.225 -2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.976 -13.197 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.037 -14.196 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.036 -13.638 -2.748 1.00 0.00 H new ATOM 1171 N GLY A 76 1.610 -14.699 -1.880 1.00 0.00 N ATOM 1172 CA GLY A 76 0.906 -15.477 -0.878 1.00 0.00 C ATOM 1173 C GLY A 76 1.038 -14.887 0.512 1.00 0.00 C ATOM 1174 O GLY A 76 0.851 -15.584 1.509 1.00 0.00 O ATOM 0 H GLY A 76 1.014 -14.278 -2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.149 -15.538 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.293 -16.496 -0.875 1.00 0.00 H new ATOM 1178 N GLU A 77 1.363 -13.600 0.579 1.00 0.00 N ATOM 1179 CA GLU A 77 1.523 -12.918 1.857 1.00 0.00 C ATOM 1180 C GLU A 77 0.532 -11.764 1.987 1.00 0.00 C ATOM 1181 O GLU A 77 0.452 -10.901 1.113 1.00 0.00 O ATOM 1182 CB GLU A 77 2.953 -12.395 2.006 1.00 0.00 C ATOM 1183 CG GLU A 77 3.922 -13.423 2.566 1.00 0.00 C ATOM 1184 CD GLU A 77 3.773 -13.613 4.062 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.432 -12.873 4.822 1.00 0.00 O ATOM 1186 OE2 GLU A 77 2.997 -14.500 4.474 1.00 0.00 O ATOM 0 H GLU A 77 1.521 -13.009 -0.237 1.00 0.00 H new ATOM 0 HA GLU A 77 1.322 -13.638 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.312 -12.062 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.945 -11.522 2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.762 -14.378 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.943 -13.113 2.343 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.220 -11.758 3.082 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.208 -10.712 3.325 1.00 0.00 C ATOM 1195 C GLU A 78 -0.527 -9.364 3.546 1.00 0.00 C ATOM 1196 O GLU A 78 -0.068 -9.061 4.648 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.071 -11.066 4.538 1.00 0.00 C ATOM 1198 CG GLU A 78 -2.785 -12.400 4.409 1.00 0.00 C ATOM 1199 CD GLU A 78 -3.374 -12.875 5.722 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -4.517 -12.482 6.037 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -2.692 -13.642 6.435 1.00 0.00 O ATOM 0 H GLU A 78 -0.165 -12.465 3.815 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.847 -10.638 2.445 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.442 -11.085 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.811 -10.280 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.580 -12.312 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.085 -13.148 4.037 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.465 -8.559 2.491 1.00 0.00 N ATOM 1209 CA ILE A 79 0.157 -7.244 2.570 1.00 0.00 C ATOM 1210 C ILE A 79 -0.858 -6.176 2.964 1.00 0.00 C ATOM 1211 O ILE A 79 -1.984 -6.164 2.467 1.00 0.00 O ATOM 1212 CB ILE A 79 0.807 -6.848 1.230 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.249 -6.781 0.126 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.905 -7.834 0.862 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.444 -5.392 -0.442 1.00 0.00 C ATOM 0 H ILE A 79 -0.838 -8.795 1.571 1.00 0.00 H new ATOM 0 HA ILE A 79 0.929 -7.307 3.336 1.00 0.00 H new ATOM 0 HB ILE A 79 1.255 -5.860 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.036 -7.457 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.199 -7.140 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.354 -7.541 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.668 -7.835 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.480 -8.833 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.207 -5.421 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.760 -4.715 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.495 -5.038 -0.868 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.452 -5.283 3.860 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.328 -4.211 4.320 1.00 0.00 C ATOM 1229 C GLU A 80 -0.879 -2.865 3.759 1.00 0.00 C ATOM 1230 O GLU A 80 0.279 -2.694 3.377 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.346 -4.159 5.849 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.614 -3.550 6.421 1.00 0.00 C ATOM 1233 CD GLU A 80 -3.301 -4.462 7.419 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -2.713 -4.718 8.491 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -4.425 -4.921 7.128 1.00 0.00 O ATOM 0 H GLU A 80 0.477 -5.280 4.282 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.335 -4.418 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.230 -5.170 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.488 -3.583 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.372 -2.604 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.303 -3.324 5.607 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.805 -1.912 3.713 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.506 -0.580 3.201 1.00 0.00 C ATOM 1244 C ILE A 81 -2.232 0.494 4.003 1.00 0.00 C ATOM 1245 O ILE A 81 -3.440 0.411 4.222 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.896 -0.448 1.716 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.331 -1.620 0.912 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.401 0.875 1.154 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.686 -1.570 -0.558 1.00 0.00 C ATOM 0 H ILE A 81 -2.768 -2.038 4.024 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.430 -0.438 3.300 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.983 -0.469 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.246 -1.632 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.702 -2.553 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.684 0.953 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.848 1.698 1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.316 0.924 1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.253 -2.431 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.770 -1.589 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.292 -0.653 -0.997 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.485 1.504 4.439 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.057 2.597 5.216 1.00 0.00 C ATOM 1263 C VAL A 82 -1.395 3.925 4.867 1.00 0.00 C ATOM 1264 O VAL A 82 -0.197 3.979 4.583 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.913 2.346 6.729 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.638 1.071 7.131 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.445 2.281 7.121 1.00 0.00 C ATOM 0 H VAL A 82 -0.483 1.588 4.267 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.116 2.645 4.962 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.371 3.179 7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.525 0.911 8.203 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.697 1.162 6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.213 0.225 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.362 2.103 8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.040 1.469 6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.040 3.224 6.871 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.180 4.996 4.890 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.669 6.326 4.575 1.00 0.00 C ATOM 1279 C LEU A 83 -0.658 6.782 5.622 1.00 0.00 C ATOM 1280 O LEU A 83 -0.942 6.774 6.819 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.822 7.329 4.491 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.543 7.412 3.146 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -4.926 8.018 3.318 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -2.724 8.223 2.152 1.00 0.00 C ATOM 0 H LEU A 83 -3.173 4.970 5.123 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.167 6.277 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.554 7.076 5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.435 8.318 4.735 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.658 6.401 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.424 8.069 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.513 7.398 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.834 9.022 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.252 8.272 1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.578 9.232 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.755 7.747 2.005 1.00 0.00 H new ATOM 1296 N ALA A 84 0.522 7.183 5.161 1.00 0.00 N ATOM 1297 CA ALA A 84 1.575 7.646 6.057 1.00 0.00 C ATOM 1298 C ALA A 84 1.515 9.160 6.237 1.00 0.00 C ATOM 1299 O ALA A 84 1.321 9.903 5.273 1.00 0.00 O ATOM 1300 CB ALA A 84 2.939 7.229 5.529 1.00 0.00 C ATOM 0 H ALA A 84 0.773 7.197 4.172 1.00 0.00 H new ATOM 0 HA ALA A 84 1.419 7.183 7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.715 7.582 6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.985 6.142 5.458 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.096 7.664 4.542 1.00 0.00 H new ATOM 1306 N LYS A 85 1.682 9.610 7.474 1.00 0.00 N ATOM 1307 CA LYS A 85 1.648 11.035 7.782 1.00 0.00 C ATOM 1308 C LYS A 85 2.999 11.513 8.305 1.00 0.00 C ATOM 1309 O LYS A 85 3.758 10.757 8.913 1.00 0.00 O ATOM 1310 CB LYS A 85 0.557 11.330 8.814 1.00 0.00 C ATOM 1311 CG LYS A 85 0.887 10.825 10.208 1.00 0.00 C ATOM 1312 CD LYS A 85 -0.212 9.927 10.751 1.00 0.00 C ATOM 1313 CE LYS A 85 0.356 8.813 11.618 1.00 0.00 C ATOM 1314 NZ LYS A 85 -0.183 8.861 13.005 1.00 0.00 N ATOM 0 H LYS A 85 1.843 9.008 8.282 1.00 0.00 H new ATOM 0 HA LYS A 85 1.424 11.573 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.390 12.406 8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.377 10.875 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.828 10.276 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.030 11.672 10.878 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.914 10.522 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.773 9.495 9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.120 7.848 11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.443 8.894 11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.228 8.086 13.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.064 9.772 13.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.218 8.758 12.979 1.00 0.00 H new ATOM 1328 N PRO A 86 3.308 12.795 8.066 1.00 0.00 N ATOM 1329 CA PRO A 86 4.568 13.401 8.506 1.00 0.00 C ATOM 1330 C PRO A 86 4.634 13.566 10.021 1.00 0.00 C ATOM 1331 O PRO A 86 3.637 13.424 10.729 1.00 0.00 O ATOM 1332 CB PRO A 86 4.562 14.770 7.820 1.00 0.00 C ATOM 1333 CG PRO A 86 3.121 15.076 7.598 1.00 0.00 C ATOM 1334 CD PRO A 86 2.450 13.754 7.348 1.00 0.00 C ATOM 0 HA PRO A 86 5.429 12.783 8.249 1.00 0.00 H new ATOM 0 HB2 PRO A 86 5.036 15.528 8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 86 5.111 14.744 6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.690 15.574 8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.991 15.746 6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.429 13.743 7.729 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.395 13.526 6.284 1.00 0.00 H new ATOM 1342 N PRO A 87 5.836 13.871 10.532 1.00 0.00 N ATOM 1343 CA PRO A 87 6.060 14.061 11.968 1.00 0.00 C ATOM 1344 C PRO A 87 5.405 15.334 12.493 1.00 0.00 C ATOM 1345 O PRO A 87 5.385 16.360 11.813 1.00 0.00 O ATOM 1346 CB PRO A 87 7.584 14.160 12.079 1.00 0.00 C ATOM 1347 CG PRO A 87 8.031 14.642 10.742 1.00 0.00 C ATOM 1348 CD PRO A 87 7.069 14.054 9.747 1.00 0.00 C ATOM 0 HA PRO A 87 5.627 13.254 12.558 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.879 14.852 12.868 1.00 0.00 H new ATOM 0 HB3 PRO A 87 8.027 13.194 12.320 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.022 15.731 10.697 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.052 14.323 10.533 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.910 14.720 8.899 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.434 13.109 9.346 1.00 0.00 H new ATOM 1356 N ASP A 88 4.869 15.261 13.706 1.00 0.00 N ATOM 1357 CA ASP A 88 4.214 16.408 14.324 1.00 0.00 C ATOM 1358 C ASP A 88 5.065 16.976 15.456 1.00 0.00 C ATOM 1359 O ASP A 88 5.827 16.251 16.098 1.00 0.00 O ATOM 1360 CB ASP A 88 2.835 16.011 14.854 1.00 0.00 C ATOM 1361 CG ASP A 88 2.102 15.074 13.915 1.00 0.00 C ATOM 1362 OD1 ASP A 88 1.529 15.561 12.917 1.00 0.00 O ATOM 1363 OD2 ASP A 88 2.101 13.853 14.176 1.00 0.00 O ATOM 0 H ASP A 88 4.875 14.419 14.281 1.00 0.00 H new ATOM 0 HA ASP A 88 4.093 17.179 13.563 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.947 15.532 15.827 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.236 16.908 15.008 1.00 0.00 H new ATOM 1368 N LYS A 89 4.929 18.275 15.697 1.00 0.00 N ATOM 1369 CA LYS A 89 5.684 18.941 16.752 1.00 0.00 C ATOM 1370 C LYS A 89 4.770 19.341 17.906 1.00 0.00 C ATOM 1371 O LYS A 89 5.070 19.075 19.070 1.00 0.00 O ATOM 1372 CB LYS A 89 6.394 20.178 16.197 1.00 0.00 C ATOM 1373 CG LYS A 89 7.519 20.683 17.085 1.00 0.00 C ATOM 1374 CD LYS A 89 8.739 19.781 17.006 1.00 0.00 C ATOM 1375 CE LYS A 89 9.163 19.296 18.384 1.00 0.00 C ATOM 1376 NZ LYS A 89 9.568 20.424 19.268 1.00 0.00 N ATOM 0 H LYS A 89 4.302 18.888 15.176 1.00 0.00 H new ATOM 0 HA LYS A 89 6.429 18.240 17.128 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.797 19.944 15.212 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.664 20.976 16.061 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.793 21.695 16.786 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.172 20.738 18.117 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.519 18.924 16.369 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.563 20.321 16.540 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.341 18.750 18.846 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.993 18.597 18.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.127 20.057 20.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.142 21.101 18.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.719 20.902 19.631 1.00 0.00 H new ATOM 1390 N LYS A 90 3.653 19.979 17.576 1.00 0.00 N ATOM 1391 CA LYS A 90 2.693 20.414 18.584 1.00 0.00 C ATOM 1392 C LYS A 90 3.340 21.380 19.571 1.00 0.00 C ATOM 1393 O LYS A 90 4.514 21.725 19.437 1.00 0.00 O ATOM 1394 CB LYS A 90 2.127 19.206 19.333 1.00 0.00 C ATOM 1395 CG LYS A 90 0.648 18.969 19.078 1.00 0.00 C ATOM 1396 CD LYS A 90 0.086 17.906 20.006 1.00 0.00 C ATOM 1397 CE LYS A 90 -1.435 17.896 19.985 1.00 0.00 C ATOM 1398 NZ LYS A 90 -2.012 18.693 21.103 1.00 0.00 N ATOM 0 H LYS A 90 3.389 20.207 16.617 1.00 0.00 H new ATOM 0 HA LYS A 90 1.880 20.932 18.076 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.684 18.315 19.042 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.285 19.346 20.402 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.100 19.901 19.217 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.501 18.664 18.042 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.462 16.927 19.709 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.436 18.087 21.022 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.787 18.296 19.034 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.792 16.868 20.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.050 18.661 21.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.697 18.296 22.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.692 19.680 21.027 1.00 0.00 H new ATOM 1412 N ARG A 91 2.568 21.812 20.562 1.00 0.00 N ATOM 1413 CA ARG A 91 3.066 22.738 21.571 1.00 0.00 C ATOM 1414 C ARG A 91 4.024 22.034 22.529 1.00 0.00 C ATOM 1415 O ARG A 91 4.085 20.806 22.569 1.00 0.00 O ATOM 1416 CB ARG A 91 1.901 23.348 22.354 1.00 0.00 C ATOM 1417 CG ARG A 91 2.038 24.844 22.583 1.00 0.00 C ATOM 1418 CD ARG A 91 1.291 25.289 23.829 1.00 0.00 C ATOM 1419 NE ARG A 91 2.178 25.920 24.804 1.00 0.00 N ATOM 1420 CZ ARG A 91 1.775 26.350 25.994 1.00 0.00 C ATOM 1421 NH1 ARG A 91 0.506 26.217 26.356 1.00 0.00 N ATOM 1422 NH2 ARG A 91 2.642 26.913 26.825 1.00 0.00 N ATOM 0 H ARG A 91 1.594 21.535 20.688 1.00 0.00 H new ATOM 0 HA ARG A 91 3.608 23.534 21.061 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.973 23.155 21.817 1.00 0.00 H new ATOM 0 HB3 ARG A 91 1.821 22.847 23.319 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.092 25.103 22.678 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.654 25.382 21.716 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.504 25.989 23.549 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.804 24.428 24.286 1.00 0.00 H new ATOM 0 HE ARG A 91 3.161 26.037 24.557 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.163 25.784 25.720 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.199 26.548 27.271 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.619 27.016 26.550 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.332 27.243 27.739 1.00 0.00 H new ATOM 1436 N SER A 92 4.769 22.822 23.297 1.00 0.00 N ATOM 1437 CA SER A 92 5.727 22.276 24.251 1.00 0.00 C ATOM 1438 C SER A 92 5.506 22.865 25.641 1.00 0.00 C ATOM 1439 O SER A 92 5.518 24.082 25.821 1.00 0.00 O ATOM 1440 CB SER A 92 7.157 22.556 23.787 1.00 0.00 C ATOM 1441 OG SER A 92 7.281 22.391 22.385 1.00 0.00 O ATOM 0 H SER A 92 4.728 23.841 23.277 1.00 0.00 H new ATOM 0 HA SER A 92 5.575 21.198 24.304 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.440 23.572 24.063 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.846 21.884 24.298 1.00 0.00 H new ATOM 0 HG SER A 92 8.204 22.578 22.114 1.00 0.00 H new ATOM 1447 N GLY A 93 5.303 21.990 26.623 1.00 0.00 N ATOM 1448 CA GLY A 93 5.082 22.442 27.983 1.00 0.00 C ATOM 1449 C GLY A 93 4.244 21.468 28.789 1.00 0.00 C ATOM 1450 O GLY A 93 3.068 21.708 29.064 1.00 0.00 O ATOM 0 H GLY A 93 5.288 20.978 26.500 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.044 22.584 28.476 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.587 23.413 27.964 1.00 0.00 H new ATOM 1454 N PRO A 94 4.854 20.339 29.178 1.00 0.00 N ATOM 1455 CA PRO A 94 4.174 19.302 29.959 1.00 0.00 C ATOM 1456 C PRO A 94 3.880 19.752 31.387 1.00 0.00 C ATOM 1457 O PRO A 94 4.226 20.865 31.780 1.00 0.00 O ATOM 1458 CB PRO A 94 5.175 18.144 29.960 1.00 0.00 C ATOM 1459 CG PRO A 94 6.501 18.790 29.761 1.00 0.00 C ATOM 1460 CD PRO A 94 6.253 19.987 28.885 1.00 0.00 C ATOM 0 HA PRO A 94 3.203 19.044 29.536 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.141 17.592 30.899 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.958 17.432 29.164 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.937 19.088 30.715 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.204 18.102 29.291 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.932 20.806 29.122 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.396 19.750 27.831 1.00 0.00 H new ATOM 1468 N SER A 95 3.239 18.877 32.158 1.00 0.00 N ATOM 1469 CA SER A 95 2.897 19.187 33.542 1.00 0.00 C ATOM 1470 C SER A 95 3.774 18.397 34.507 1.00 0.00 C ATOM 1471 O SER A 95 4.588 17.573 34.093 1.00 0.00 O ATOM 1472 CB SER A 95 1.422 18.876 33.804 1.00 0.00 C ATOM 1473 OG SER A 95 0.606 20.000 33.522 1.00 0.00 O ATOM 0 H SER A 95 2.947 17.950 31.848 1.00 0.00 H new ATOM 0 HA SER A 95 3.073 20.250 33.706 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.110 18.032 33.188 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.289 18.578 34.844 1.00 0.00 H new ATOM 0 HG SER A 95 -0.332 19.775 33.696 1.00 0.00 H new ATOM 1479 N SER A 96 3.602 18.658 35.800 1.00 0.00 N ATOM 1480 CA SER A 96 4.381 17.975 36.827 1.00 0.00 C ATOM 1481 C SER A 96 5.869 18.270 36.665 1.00 0.00 C ATOM 1482 O SER A 96 6.283 18.925 35.711 1.00 0.00 O ATOM 1483 CB SER A 96 4.138 16.466 36.763 1.00 0.00 C ATOM 1484 OG SER A 96 2.868 16.177 36.204 1.00 0.00 O ATOM 0 H SER A 96 2.931 19.336 36.160 1.00 0.00 H new ATOM 0 HA SER A 96 4.058 18.346 37.800 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.918 15.994 36.165 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.203 16.041 37.765 1.00 0.00 H new ATOM 0 HG SER A 96 2.738 15.206 36.173 1.00 0.00 H new ATOM 1490 N GLY A 97 6.668 17.779 37.608 1.00 0.00 N ATOM 1491 CA GLY A 97 8.101 18.000 37.554 1.00 0.00 C ATOM 1492 C GLY A 97 8.852 17.194 38.595 1.00 0.00 C ATOM 1493 O GLY A 97 9.123 17.684 39.692 1.00 0.00 O ATOM 0 H GLY A 97 6.348 17.233 38.408 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.469 17.738 36.562 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.308 19.060 37.701 1.00 0.00 H new TER 1497 GLY A 97