USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 441 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 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 SER OG : rot 180:sc=-0.00171 USER MOD Set 1.2: A 53 GLN : amide:sc= -2.94! C(o=-2.9!,f=-4.5!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.092 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 44:sc= 0.763 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -55:sc= 0.515 USER MOD Single : A 8 HIS : no HE2:sc= -2.06! C(o=-2.1!,f=-4.7!) USER MOD Single : A 10 MET CE :methyl -174:sc= -5.59! (180deg=-6.07!) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.465) USER MOD Single : A 14 HIS : no HD1:sc= -7.88! C(o=-7.9!,f=-8.3!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -138:sc= -1.05 USER MOD Single : A 30 THR OG1 : rot 42:sc= 0.936 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -105:sc= -0.942 (180deg=-3.64!) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= -1.9 (180deg=-2.07) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= -0.158 (180deg=-0.576) USER MOD Single : A 49 GLN : amide:sc= -1.14 K(o=-1.1,f=-5!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 56 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0031) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 70:sc= 0.412 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.781 -1.586 -0.852 1.00 0.00 N ATOM 2 CA GLY A 1 21.074 -3.001 -0.984 1.00 0.00 C ATOM 3 C GLY A 1 22.375 -3.259 -1.718 1.00 0.00 C ATOM 4 O GLY A 1 23.105 -2.324 -2.047 1.00 0.00 O ATOM 0 H1 GLY A 1 20.666 -1.348 0.154 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.564 -1.031 -1.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.903 -1.364 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.124 -3.452 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.258 -3.490 -1.516 1.00 0.00 H new ATOM 8 N SER A 2 22.667 -4.530 -1.973 1.00 0.00 N ATOM 9 CA SER A 2 23.893 -4.908 -2.667 1.00 0.00 C ATOM 10 C SER A 2 23.631 -6.043 -3.652 1.00 0.00 C ATOM 11 O SER A 2 22.681 -6.810 -3.495 1.00 0.00 O ATOM 12 CB SER A 2 24.965 -5.328 -1.660 1.00 0.00 C ATOM 13 OG SER A 2 25.134 -4.344 -0.654 1.00 0.00 O ATOM 0 H SER A 2 22.072 -5.315 -1.710 1.00 0.00 H new ATOM 0 HA SER A 2 24.248 -4.041 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.686 -6.277 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.911 -5.490 -2.177 1.00 0.00 H new ATOM 0 HG SER A 2 25.823 -4.637 -0.022 1.00 0.00 H new ATOM 19 N SER A 3 24.482 -6.144 -4.668 1.00 0.00 N ATOM 20 CA SER A 3 24.342 -7.183 -5.682 1.00 0.00 C ATOM 21 C SER A 3 24.369 -8.570 -5.046 1.00 0.00 C ATOM 22 O SER A 3 25.430 -9.172 -4.888 1.00 0.00 O ATOM 23 CB SER A 3 25.457 -7.064 -6.722 1.00 0.00 C ATOM 24 OG SER A 3 26.734 -7.167 -6.115 1.00 0.00 O ATOM 0 H SER A 3 25.276 -5.519 -4.811 1.00 0.00 H new ATOM 0 HA SER A 3 23.380 -7.047 -6.175 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.343 -7.846 -7.473 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.374 -6.109 -7.241 1.00 0.00 H new ATOM 0 HG SER A 3 26.731 -7.904 -5.469 1.00 0.00 H new ATOM 30 N GLY A 4 23.192 -9.071 -4.684 1.00 0.00 N ATOM 31 CA GLY A 4 23.102 -10.383 -4.069 1.00 0.00 C ATOM 32 C GLY A 4 21.759 -10.622 -3.408 1.00 0.00 C ATOM 33 O GLY A 4 20.877 -11.255 -3.990 1.00 0.00 O ATOM 0 H GLY A 4 22.300 -8.592 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.272 -11.148 -4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.893 -10.488 -3.326 1.00 0.00 H new ATOM 37 N SER A 5 21.603 -10.118 -2.189 1.00 0.00 N ATOM 38 CA SER A 5 20.359 -10.285 -1.446 1.00 0.00 C ATOM 39 C SER A 5 19.156 -10.238 -2.382 1.00 0.00 C ATOM 40 O SER A 5 18.386 -11.194 -2.471 1.00 0.00 O ATOM 41 CB SER A 5 20.230 -9.199 -0.375 1.00 0.00 C ATOM 42 OG SER A 5 19.043 -9.367 0.380 1.00 0.00 O ATOM 0 H SER A 5 22.322 -9.590 -1.694 1.00 0.00 H new ATOM 0 HA SER A 5 20.382 -11.261 -0.962 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.094 -9.233 0.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.229 -8.216 -0.847 1.00 0.00 H new ATOM 0 HG SER A 5 18.984 -8.662 1.059 1.00 0.00 H new ATOM 48 N SER A 6 19.001 -9.117 -3.080 1.00 0.00 N ATOM 49 CA SER A 6 17.890 -8.942 -4.008 1.00 0.00 C ATOM 50 C SER A 6 16.563 -9.287 -3.338 1.00 0.00 C ATOM 51 O SER A 6 15.698 -9.922 -3.939 1.00 0.00 O ATOM 52 CB SER A 6 18.090 -9.816 -5.247 1.00 0.00 C ATOM 53 OG SER A 6 17.105 -9.542 -6.229 1.00 0.00 O ATOM 0 H SER A 6 19.631 -8.317 -3.020 1.00 0.00 H new ATOM 0 HA SER A 6 17.864 -7.895 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.082 -9.640 -5.663 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.044 -10.868 -4.965 1.00 0.00 H new ATOM 0 HG SER A 6 16.213 -9.646 -5.836 1.00 0.00 H new ATOM 59 N GLY A 7 16.411 -8.862 -2.087 1.00 0.00 N ATOM 60 CA GLY A 7 15.188 -9.135 -1.355 1.00 0.00 C ATOM 61 C GLY A 7 14.179 -8.009 -1.471 1.00 0.00 C ATOM 62 O GLY A 7 14.404 -7.036 -2.192 1.00 0.00 O ATOM 0 H GLY A 7 17.113 -8.334 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.743 -10.057 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.426 -9.299 -0.304 1.00 0.00 H new ATOM 66 N HIS A 8 13.063 -8.141 -0.762 1.00 0.00 N ATOM 67 CA HIS A 8 12.015 -7.127 -0.789 1.00 0.00 C ATOM 68 C HIS A 8 12.580 -5.752 -0.448 1.00 0.00 C ATOM 69 O HIS A 8 13.417 -5.602 0.443 1.00 0.00 O ATOM 70 CB HIS A 8 10.898 -7.490 0.190 1.00 0.00 C ATOM 71 CG HIS A 8 9.635 -6.716 -0.028 1.00 0.00 C ATOM 72 ND1 HIS A 8 9.420 -5.461 0.502 1.00 0.00 N ATOM 73 CD2 HIS A 8 8.517 -7.025 -0.725 1.00 0.00 C ATOM 74 CE1 HIS A 8 8.224 -5.033 0.142 1.00 0.00 C ATOM 75 NE2 HIS A 8 7.655 -5.963 -0.604 1.00 0.00 N ATOM 0 H HIS A 8 12.861 -8.940 -0.161 1.00 0.00 H new ATOM 0 HA HIS A 8 11.605 -7.091 -1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.681 -8.555 0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.248 -7.318 1.208 1.00 0.00 H new ATOM 0 HD1 HIS A 8 10.082 -4.944 1.081 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.336 -7.937 -1.274 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.785 -4.084 0.412 1.00 0.00 H new ATOM 83 N PRO A 9 12.114 -4.723 -1.172 1.00 0.00 N ATOM 84 CA PRO A 9 12.560 -3.342 -0.964 1.00 0.00 C ATOM 85 C PRO A 9 12.062 -2.766 0.357 1.00 0.00 C ATOM 86 O PRO A 9 11.095 -3.260 0.936 1.00 0.00 O ATOM 87 CB PRO A 9 11.942 -2.588 -2.144 1.00 0.00 C ATOM 88 CG PRO A 9 10.752 -3.397 -2.529 1.00 0.00 C ATOM 89 CD PRO A 9 11.116 -4.829 -2.250 1.00 0.00 C ATOM 0 HA PRO A 9 13.646 -3.267 -0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.657 -1.575 -1.861 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.646 -2.502 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.875 -3.098 -1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.507 -3.255 -3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.248 -5.411 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.528 -5.318 -3.133 1.00 0.00 H new ATOM 97 N MET A 10 12.728 -1.716 0.828 1.00 0.00 N ATOM 98 CA MET A 10 12.350 -1.071 2.080 1.00 0.00 C ATOM 99 C MET A 10 11.456 0.137 1.821 1.00 0.00 C ATOM 100 O MET A 10 11.192 0.492 0.672 1.00 0.00 O ATOM 101 CB MET A 10 13.598 -0.640 2.853 1.00 0.00 C ATOM 102 CG MET A 10 14.594 -1.767 3.077 1.00 0.00 C ATOM 103 SD MET A 10 13.875 -3.163 3.964 1.00 0.00 S ATOM 104 CE MET A 10 14.436 -2.828 5.632 1.00 0.00 C ATOM 0 H MET A 10 13.531 -1.294 0.362 1.00 0.00 H new ATOM 0 HA MET A 10 11.792 -1.792 2.677 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.091 0.167 2.310 1.00 0.00 H new ATOM 0 HB3 MET A 10 13.295 -0.236 3.819 1.00 0.00 H new ATOM 0 HG2 MET A 10 14.972 -2.109 2.114 1.00 0.00 H new ATOM 0 HG3 MET A 10 15.448 -1.386 3.637 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.163 -3.659 6.282 1.00 0.00 H new ATOM 0 HE2 MET A 10 15.519 -2.707 5.634 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.968 -1.914 5.997 1.00 0.00 H new ATOM 114 N CYS A 11 10.993 0.766 2.896 1.00 0.00 N ATOM 115 CA CYS A 11 10.127 1.934 2.786 1.00 0.00 C ATOM 116 C CYS A 11 10.880 3.113 2.176 1.00 0.00 C ATOM 117 O CYS A 11 12.088 3.257 2.364 1.00 0.00 O ATOM 118 CB CYS A 11 9.580 2.321 4.162 1.00 0.00 C ATOM 119 SG CYS A 11 8.393 3.702 4.128 1.00 0.00 S ATOM 0 H CYS A 11 11.203 0.486 3.854 1.00 0.00 H new ATOM 0 HA CYS A 11 9.295 1.678 2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.097 1.451 4.607 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.414 2.589 4.811 1.00 0.00 H new ATOM 124 N LYS A 12 10.157 3.953 1.443 1.00 0.00 N ATOM 125 CA LYS A 12 10.754 5.121 0.806 1.00 0.00 C ATOM 126 C LYS A 12 11.118 6.180 1.841 1.00 0.00 C ATOM 127 O LYS A 12 12.226 6.715 1.832 1.00 0.00 O ATOM 128 CB LYS A 12 9.791 5.712 -0.227 1.00 0.00 C ATOM 129 CG LYS A 12 8.440 6.096 0.351 1.00 0.00 C ATOM 130 CD LYS A 12 7.336 5.978 -0.686 1.00 0.00 C ATOM 131 CE LYS A 12 7.141 7.282 -1.443 1.00 0.00 C ATOM 132 NZ LYS A 12 8.236 7.526 -2.421 1.00 0.00 N ATOM 0 H LYS A 12 9.157 3.847 1.275 1.00 0.00 H new ATOM 0 HA LYS A 12 11.667 4.802 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.249 6.594 -0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.642 4.988 -1.028 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.211 5.454 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.481 7.119 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.579 5.181 -1.389 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.404 5.698 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.185 7.258 -1.967 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.096 8.109 -0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.917 8.211 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.067 7.906 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.490 6.632 -2.888 1.00 0.00 H new ATOM 146 N GLU A 13 10.178 6.477 2.733 1.00 0.00 N ATOM 147 CA GLU A 13 10.402 7.472 3.776 1.00 0.00 C ATOM 148 C GLU A 13 11.496 7.016 4.737 1.00 0.00 C ATOM 149 O GLU A 13 12.553 7.639 4.832 1.00 0.00 O ATOM 150 CB GLU A 13 9.107 7.735 4.547 1.00 0.00 C ATOM 151 CG GLU A 13 8.106 8.585 3.784 1.00 0.00 C ATOM 152 CD GLU A 13 8.738 9.818 3.166 1.00 0.00 C ATOM 153 OE1 GLU A 13 9.416 10.566 3.901 1.00 0.00 O ATOM 154 OE2 GLU A 13 8.554 10.033 1.950 1.00 0.00 O ATOM 0 H GLU A 13 9.255 6.043 2.755 1.00 0.00 H new ATOM 0 HA GLU A 13 10.725 8.396 3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.644 6.781 4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.348 8.230 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.648 7.983 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.306 8.891 4.458 1.00 0.00 H new ATOM 161 N HIS A 14 11.233 5.924 5.449 1.00 0.00 N ATOM 162 CA HIS A 14 12.195 5.384 6.403 1.00 0.00 C ATOM 163 C HIS A 14 13.513 5.045 5.714 1.00 0.00 C ATOM 164 O HIS A 14 13.669 5.262 4.513 1.00 0.00 O ATOM 165 CB HIS A 14 11.626 4.138 7.083 1.00 0.00 C ATOM 166 CG HIS A 14 10.384 4.403 7.877 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.467 5.375 7.538 1.00 0.00 N ATOM 168 CD2 HIS A 14 9.909 3.815 9.000 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.482 5.375 8.419 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.726 4.437 9.316 1.00 0.00 N ATOM 0 H HIS A 14 10.362 5.397 5.383 1.00 0.00 H new ATOM 0 HA HIS A 14 12.387 6.146 7.159 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.408 3.387 6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.385 3.715 7.741 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.374 3.007 9.546 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.624 6.030 8.407 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.132 4.211 10.114 1.00 0.00 H new ATOM 178 N GLU A 15 14.458 4.513 6.483 1.00 0.00 N ATOM 179 CA GLU A 15 15.762 4.146 5.945 1.00 0.00 C ATOM 180 C GLU A 15 16.189 2.769 6.444 1.00 0.00 C ATOM 181 O GLU A 15 16.749 2.638 7.533 1.00 0.00 O ATOM 182 CB GLU A 15 16.811 5.190 6.335 1.00 0.00 C ATOM 183 CG GLU A 15 16.872 6.376 5.388 1.00 0.00 C ATOM 184 CD GLU A 15 18.184 7.131 5.481 1.00 0.00 C ATOM 185 OE1 GLU A 15 19.247 6.490 5.344 1.00 0.00 O ATOM 186 OE2 GLU A 15 18.147 8.361 5.690 1.00 0.00 O ATOM 0 H GLU A 15 14.345 4.327 7.479 1.00 0.00 H new ATOM 0 HA GLU A 15 15.681 4.110 4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.596 5.550 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.790 4.713 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.730 6.027 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.049 7.056 5.610 1.00 0.00 H new ATOM 193 N ASP A 16 15.919 1.746 5.641 1.00 0.00 N ATOM 194 CA ASP A 16 16.275 0.378 6.000 1.00 0.00 C ATOM 195 C ASP A 16 15.411 -0.124 7.154 1.00 0.00 C ATOM 196 O ASP A 16 15.920 -0.684 8.124 1.00 0.00 O ATOM 197 CB ASP A 16 17.754 0.296 6.381 1.00 0.00 C ATOM 198 CG ASP A 16 18.328 -1.092 6.179 1.00 0.00 C ATOM 199 OD1 ASP A 16 17.785 -2.050 6.767 1.00 0.00 O ATOM 200 OD2 ASP A 16 19.322 -1.221 5.433 1.00 0.00 O ATOM 0 H ASP A 16 15.455 1.838 4.737 1.00 0.00 H new ATOM 0 HA ASP A 16 16.096 -0.257 5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 16 18.320 1.011 5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 16 17.874 0.587 7.424 1.00 0.00 H new ATOM 205 N GLU A 17 14.103 0.083 7.040 1.00 0.00 N ATOM 206 CA GLU A 17 13.170 -0.347 8.075 1.00 0.00 C ATOM 207 C GLU A 17 12.187 -1.377 7.527 1.00 0.00 C ATOM 208 O GLU A 17 11.222 -1.031 6.844 1.00 0.00 O ATOM 209 CB GLU A 17 12.406 0.855 8.635 1.00 0.00 C ATOM 210 CG GLU A 17 13.289 1.846 9.376 1.00 0.00 C ATOM 211 CD GLU A 17 12.523 2.651 10.408 1.00 0.00 C ATOM 212 OE1 GLU A 17 11.743 2.045 11.172 1.00 0.00 O ATOM 213 OE2 GLU A 17 12.703 3.886 10.450 1.00 0.00 O ATOM 0 H GLU A 17 13.666 0.545 6.243 1.00 0.00 H new ATOM 0 HA GLU A 17 13.745 -0.809 8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.905 1.370 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.629 0.498 9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.099 1.308 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.748 2.526 8.658 1.00 0.00 H new ATOM 220 N LYS A 18 12.439 -2.646 7.830 1.00 0.00 N ATOM 221 CA LYS A 18 11.578 -3.729 7.370 1.00 0.00 C ATOM 222 C LYS A 18 10.122 -3.278 7.309 1.00 0.00 C ATOM 223 O LYS A 18 9.605 -2.687 8.258 1.00 0.00 O ATOM 224 CB LYS A 18 11.709 -4.941 8.295 1.00 0.00 C ATOM 225 CG LYS A 18 13.108 -5.529 8.332 1.00 0.00 C ATOM 226 CD LYS A 18 13.341 -6.487 7.176 1.00 0.00 C ATOM 227 CE LYS A 18 14.809 -6.865 7.052 1.00 0.00 C ATOM 228 NZ LYS A 18 15.171 -7.233 5.655 1.00 0.00 N ATOM 0 H LYS A 18 13.234 -2.950 8.393 1.00 0.00 H new ATOM 0 HA LYS A 18 11.896 -4.010 6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.420 -4.650 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.009 -5.711 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.843 -4.725 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.259 -6.053 9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.744 -7.387 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.003 -6.027 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.428 -6.030 7.379 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.026 -7.702 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.179 -7.484 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.599 -8.046 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.988 -6.426 5.025 1.00 0.00 H new ATOM 242 N ILE A 19 9.466 -3.560 6.188 1.00 0.00 N ATOM 243 CA ILE A 19 8.069 -3.186 6.006 1.00 0.00 C ATOM 244 C ILE A 19 7.160 -3.985 6.933 1.00 0.00 C ATOM 245 O ILE A 19 7.461 -5.125 7.283 1.00 0.00 O ATOM 246 CB ILE A 19 7.615 -3.400 4.550 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.524 -2.630 3.590 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.166 -2.966 4.378 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.521 -1.135 3.823 1.00 0.00 C ATOM 0 H ILE A 19 9.880 -4.046 5.392 1.00 0.00 H new ATOM 0 HA ILE A 19 7.991 -2.127 6.251 1.00 0.00 H new ATOM 0 HB ILE A 19 7.687 -4.462 4.315 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.543 -3.003 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.210 -2.831 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.859 -3.123 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.529 -3.554 5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.071 -1.909 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.187 -0.654 3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.510 -0.749 3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.864 -0.924 4.836 1.00 0.00 H new ATOM 261 N ASN A 20 6.045 -3.378 7.327 1.00 0.00 N ATOM 262 CA ASN A 20 5.090 -4.034 8.213 1.00 0.00 C ATOM 263 C ASN A 20 3.766 -4.281 7.498 1.00 0.00 C ATOM 264 O ASN A 20 3.192 -5.367 7.591 1.00 0.00 O ATOM 265 CB ASN A 20 4.856 -3.183 9.464 1.00 0.00 C ATOM 266 CG ASN A 20 5.856 -3.485 10.563 1.00 0.00 C ATOM 267 OD1 ASN A 20 6.963 -3.956 10.299 1.00 0.00 O ATOM 268 ND2 ASN A 20 5.470 -3.215 11.805 1.00 0.00 N ATOM 0 H ASN A 20 5.781 -2.433 7.047 1.00 0.00 H new ATOM 0 HA ASN A 20 5.508 -4.996 8.509 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.919 -2.128 9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.847 -3.359 9.836 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.100 -3.397 12.586 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.543 -2.825 11.978 1.00 0.00 H new ATOM 275 N ILE A 21 3.286 -3.268 6.785 1.00 0.00 N ATOM 276 CA ILE A 21 2.031 -3.376 6.053 1.00 0.00 C ATOM 277 C ILE A 21 2.226 -3.053 4.575 1.00 0.00 C ATOM 278 O ILE A 21 3.314 -2.659 4.154 1.00 0.00 O ATOM 279 CB ILE A 21 0.957 -2.438 6.634 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.465 -0.994 6.650 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.566 -2.883 8.035 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.395 0.019 6.995 1.00 0.00 C ATOM 0 H ILE A 21 3.748 -2.363 6.699 1.00 0.00 H new ATOM 0 HA ILE A 21 1.695 -4.408 6.156 1.00 0.00 H new ATOM 0 HB ILE A 21 0.072 -2.486 5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.278 -0.911 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.881 -0.753 5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.194 -2.210 8.432 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.168 -3.897 7.997 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.443 -2.861 8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.826 1.020 6.988 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.408 -0.036 6.260 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.004 -0.197 7.986 1.00 0.00 H new ATOM 294 N TYR A 22 1.165 -3.220 3.793 1.00 0.00 N ATOM 295 CA TYR A 22 1.220 -2.946 2.362 1.00 0.00 C ATOM 296 C TYR A 22 0.113 -1.982 1.949 1.00 0.00 C ATOM 297 O TYR A 22 -1.043 -2.138 2.344 1.00 0.00 O ATOM 298 CB TYR A 22 1.099 -4.248 1.568 1.00 0.00 C ATOM 299 CG TYR A 22 0.834 -4.036 0.095 1.00 0.00 C ATOM 300 CD1 TYR A 22 1.882 -3.899 -0.807 1.00 0.00 C ATOM 301 CD2 TYR A 22 -0.464 -3.975 -0.396 1.00 0.00 C ATOM 302 CE1 TYR A 22 1.645 -3.704 -2.154 1.00 0.00 C ATOM 303 CE2 TYR A 22 -0.711 -3.782 -1.741 1.00 0.00 C ATOM 304 CZ TYR A 22 0.346 -3.647 -2.616 1.00 0.00 C ATOM 305 OH TYR A 22 0.105 -3.455 -3.957 1.00 0.00 O ATOM 0 H TYR A 22 0.257 -3.544 4.126 1.00 0.00 H new ATOM 0 HA TYR A 22 2.182 -2.482 2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.019 -4.822 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.293 -4.848 1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.900 -3.946 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.295 -4.080 0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.471 -3.597 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.727 -3.737 -2.105 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.862 -3.440 -4.117 1.00 0.00 H new ATOM 315 N CYS A 23 0.475 -0.982 1.152 1.00 0.00 N ATOM 316 CA CYS A 23 -0.486 0.009 0.683 1.00 0.00 C ATOM 317 C CYS A 23 -1.190 -0.471 -0.583 1.00 0.00 C ATOM 318 O CYS A 23 -0.623 -1.226 -1.374 1.00 0.00 O ATOM 319 CB CYS A 23 0.216 1.342 0.415 1.00 0.00 C ATOM 320 SG CYS A 23 -0.920 2.748 0.190 1.00 0.00 S ATOM 0 H CYS A 23 1.428 -0.837 0.817 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.235 0.149 1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.887 1.560 1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.834 1.242 -0.477 1.00 0.00 H new ATOM 325 N LEU A 24 -2.428 -0.028 -0.768 1.00 0.00 N ATOM 326 CA LEU A 24 -3.211 -0.411 -1.938 1.00 0.00 C ATOM 327 C LEU A 24 -3.315 0.745 -2.927 1.00 0.00 C ATOM 328 O LEU A 24 -2.877 0.638 -4.073 1.00 0.00 O ATOM 329 CB LEU A 24 -4.610 -0.862 -1.514 1.00 0.00 C ATOM 330 CG LEU A 24 -4.697 -2.223 -0.824 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.413 -2.520 -0.066 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.895 -2.271 0.113 1.00 0.00 C ATOM 0 H LEU A 24 -2.912 0.597 -0.123 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.702 -1.240 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.024 -0.110 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.246 -0.885 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.829 -2.988 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.493 -3.493 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.574 -2.529 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.250 -1.751 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.941 -3.247 0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.794 -1.496 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.809 -2.104 -0.457 1.00 0.00 H new ATOM 344 N THR A 25 -3.895 1.853 -2.476 1.00 0.00 N ATOM 345 CA THR A 25 -4.055 3.030 -3.320 1.00 0.00 C ATOM 346 C THR A 25 -2.886 3.176 -4.287 1.00 0.00 C ATOM 347 O THR A 25 -3.011 2.883 -5.477 1.00 0.00 O ATOM 348 CB THR A 25 -4.172 4.314 -2.477 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.370 4.278 -1.693 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.181 5.548 -3.368 1.00 0.00 C ATOM 0 H THR A 25 -4.262 1.959 -1.530 1.00 0.00 H new ATOM 0 HA THR A 25 -4.976 2.890 -3.886 1.00 0.00 H new ATOM 0 HB THR A 25 -3.307 4.368 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.798 5.159 -1.709 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.264 6.442 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.256 5.589 -3.942 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.030 5.498 -4.050 1.00 0.00 H new ATOM 358 N CYS A 26 -1.750 3.631 -3.770 1.00 0.00 N ATOM 359 CA CYS A 26 -0.557 3.816 -4.588 1.00 0.00 C ATOM 360 C CYS A 26 0.020 2.471 -5.020 1.00 0.00 C ATOM 361 O CYS A 26 0.760 2.388 -6.000 1.00 0.00 O ATOM 362 CB CYS A 26 0.498 4.611 -3.816 1.00 0.00 C ATOM 363 SG CYS A 26 0.860 3.952 -2.157 1.00 0.00 S ATOM 0 H CYS A 26 -1.630 3.879 -2.788 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.842 4.373 -5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.420 4.630 -4.397 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.161 5.643 -3.720 1.00 0.00 H new ATOM 368 N GLU A 27 -0.325 1.420 -4.282 1.00 0.00 N ATOM 369 CA GLU A 27 0.160 0.080 -4.589 1.00 0.00 C ATOM 370 C GLU A 27 1.647 -0.047 -4.274 1.00 0.00 C ATOM 371 O GLU A 27 2.444 -0.431 -5.130 1.00 0.00 O ATOM 372 CB GLU A 27 -0.091 -0.253 -6.061 1.00 0.00 C ATOM 373 CG GLU A 27 -1.524 -0.012 -6.504 1.00 0.00 C ATOM 374 CD GLU A 27 -1.671 0.022 -8.013 1.00 0.00 C ATOM 375 OE1 GLU A 27 -0.969 0.827 -8.660 1.00 0.00 O ATOM 376 OE2 GLU A 27 -2.489 -0.757 -8.546 1.00 0.00 O ATOM 0 H GLU A 27 -0.938 1.471 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.387 -0.627 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.577 0.346 -6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.164 -1.298 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.162 -0.797 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.875 0.932 -6.087 1.00 0.00 H new ATOM 383 N VAL A 28 2.014 0.279 -3.038 1.00 0.00 N ATOM 384 CA VAL A 28 3.406 0.202 -2.609 1.00 0.00 C ATOM 385 C VAL A 28 3.508 -0.241 -1.154 1.00 0.00 C ATOM 386 O VAL A 28 2.839 0.292 -0.268 1.00 0.00 O ATOM 387 CB VAL A 28 4.119 1.557 -2.772 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.604 2.288 -4.003 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.940 2.407 -1.523 1.00 0.00 C ATOM 0 H VAL A 28 1.367 0.599 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 28 3.894 -0.536 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 28 5.185 1.372 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.120 3.243 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.790 1.682 -4.890 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.533 2.463 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.450 3.361 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.878 2.584 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.363 1.886 -0.664 1.00 0.00 H new ATOM 399 N PRO A 29 4.365 -1.241 -0.899 1.00 0.00 N ATOM 400 CA PRO A 29 4.576 -1.779 0.449 1.00 0.00 C ATOM 401 C PRO A 29 5.302 -0.794 1.358 1.00 0.00 C ATOM 402 O PRO A 29 6.527 -0.830 1.480 1.00 0.00 O ATOM 403 CB PRO A 29 5.440 -3.018 0.205 1.00 0.00 C ATOM 404 CG PRO A 29 6.146 -2.741 -1.078 1.00 0.00 C ATOM 405 CD PRO A 29 5.194 -1.924 -1.906 1.00 0.00 C ATOM 0 HA PRO A 29 3.634 -1.992 0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.147 -3.175 1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.830 -3.919 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.075 -2.199 -0.903 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.409 -3.668 -1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.722 -1.213 -2.541 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.592 -2.552 -2.563 1.00 0.00 H new ATOM 413 N THR A 30 4.539 0.088 1.998 1.00 0.00 N ATOM 414 CA THR A 30 5.109 1.083 2.896 1.00 0.00 C ATOM 415 C THR A 30 4.759 0.779 4.348 1.00 0.00 C ATOM 416 O THR A 30 3.689 0.244 4.640 1.00 0.00 O ATOM 417 CB THR A 30 4.618 2.501 2.548 1.00 0.00 C ATOM 418 OG1 THR A 30 5.323 3.470 3.332 1.00 0.00 O ATOM 419 CG2 THR A 30 3.123 2.632 2.796 1.00 0.00 C ATOM 0 H THR A 30 3.524 0.132 1.910 1.00 0.00 H new ATOM 0 HA THR A 30 6.191 1.039 2.769 1.00 0.00 H new ATOM 0 HB THR A 30 4.812 2.679 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.272 3.229 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.799 3.642 2.543 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.587 1.913 2.176 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.910 2.435 3.847 1.00 0.00 H new ATOM 427 N CYS A 31 5.666 1.123 5.256 1.00 0.00 N ATOM 428 CA CYS A 31 5.454 0.887 6.678 1.00 0.00 C ATOM 429 C CYS A 31 4.133 1.495 7.139 1.00 0.00 C ATOM 430 O CYS A 31 3.439 2.156 6.367 1.00 0.00 O ATOM 431 CB CYS A 31 6.609 1.473 7.492 1.00 0.00 C ATOM 432 SG CYS A 31 6.548 3.284 7.672 1.00 0.00 S ATOM 0 H CYS A 31 6.556 1.567 5.031 1.00 0.00 H new ATOM 0 HA CYS A 31 5.414 -0.190 6.840 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.607 1.020 8.483 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.551 1.197 7.017 1.00 0.00 H new ATOM 437 N SER A 32 3.792 1.268 8.404 1.00 0.00 N ATOM 438 CA SER A 32 2.553 1.790 8.967 1.00 0.00 C ATOM 439 C SER A 32 2.751 3.208 9.496 1.00 0.00 C ATOM 440 O SER A 32 1.870 4.057 9.372 1.00 0.00 O ATOM 441 CB SER A 32 2.055 0.880 10.091 1.00 0.00 C ATOM 442 OG SER A 32 1.005 1.494 10.818 1.00 0.00 O ATOM 0 H SER A 32 4.357 0.726 9.058 1.00 0.00 H new ATOM 0 HA SER A 32 1.806 1.817 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.707 -0.064 9.671 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.879 0.645 10.765 1.00 0.00 H new ATOM 0 HG SER A 32 0.704 0.891 11.529 1.00 0.00 H new ATOM 448 N MET A 33 3.916 3.453 10.088 1.00 0.00 N ATOM 449 CA MET A 33 4.232 4.768 10.635 1.00 0.00 C ATOM 450 C MET A 33 3.884 5.870 9.640 1.00 0.00 C ATOM 451 O MET A 33 3.368 6.922 10.018 1.00 0.00 O ATOM 452 CB MET A 33 5.715 4.847 11.003 1.00 0.00 C ATOM 453 CG MET A 33 6.061 4.119 12.292 1.00 0.00 C ATOM 454 SD MET A 33 6.598 2.421 12.007 1.00 0.00 S ATOM 455 CE MET A 33 5.074 1.529 12.306 1.00 0.00 C ATOM 0 H MET A 33 4.655 2.760 10.201 1.00 0.00 H new ATOM 0 HA MET A 33 3.633 4.913 11.534 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.306 4.428 10.189 1.00 0.00 H new ATOM 0 HB3 MET A 33 6.002 5.894 11.099 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.850 4.663 12.812 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.190 4.116 12.948 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.127 1.033 13.275 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.237 2.227 12.301 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.929 0.784 11.524 1.00 0.00 H new ATOM 465 N CYS A 34 4.169 5.622 8.366 1.00 0.00 N ATOM 466 CA CYS A 34 3.886 6.593 7.315 1.00 0.00 C ATOM 467 C CYS A 34 2.387 6.687 7.051 1.00 0.00 C ATOM 468 O CYS A 34 1.858 7.767 6.786 1.00 0.00 O ATOM 469 CB CYS A 34 4.619 6.210 6.028 1.00 0.00 C ATOM 470 SG CYS A 34 6.421 6.469 6.093 1.00 0.00 S ATOM 0 H CYS A 34 4.596 4.756 8.036 1.00 0.00 H new ATOM 0 HA CYS A 34 4.240 7.568 7.650 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.421 5.161 5.808 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.209 6.791 5.202 1.00 0.00 H new ATOM 475 N LYS A 35 1.705 5.549 7.126 1.00 0.00 N ATOM 476 CA LYS A 35 0.266 5.502 6.897 1.00 0.00 C ATOM 477 C LYS A 35 -0.481 6.298 7.962 1.00 0.00 C ATOM 478 O LYS A 35 -1.282 7.178 7.646 1.00 0.00 O ATOM 479 CB LYS A 35 -0.223 4.052 6.893 1.00 0.00 C ATOM 480 CG LYS A 35 -1.736 3.920 6.873 1.00 0.00 C ATOM 481 CD LYS A 35 -2.302 4.195 5.489 1.00 0.00 C ATOM 482 CE LYS A 35 -3.759 4.625 5.558 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.672 3.463 5.744 1.00 0.00 N ATOM 0 H LYS A 35 2.126 4.646 7.344 1.00 0.00 H new ATOM 0 HA LYS A 35 0.063 5.951 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.189 3.541 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.166 3.544 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.019 2.916 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.172 4.615 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.714 4.974 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.215 3.299 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.892 5.327 6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.025 5.153 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.635 3.805 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.678 2.885 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.342 2.886 6.544 1.00 0.00 H new ATOM 497 N VAL A 36 -0.213 5.985 9.226 1.00 0.00 N ATOM 498 CA VAL A 36 -0.858 6.673 10.337 1.00 0.00 C ATOM 499 C VAL A 36 -0.168 7.999 10.637 1.00 0.00 C ATOM 500 O VAL A 36 -0.812 8.971 11.031 1.00 0.00 O ATOM 501 CB VAL A 36 -0.856 5.806 11.611 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.706 4.561 11.410 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.567 5.435 12.000 1.00 0.00 C ATOM 0 H VAL A 36 0.447 5.259 9.506 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.889 6.863 10.037 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.291 6.385 12.426 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.693 3.961 12.320 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.731 4.853 11.183 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.304 3.975 10.583 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.550 4.823 12.902 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.031 4.874 11.189 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.141 6.342 12.188 1.00 0.00 H new ATOM 513 N PHE A 37 1.147 8.032 10.448 1.00 0.00 N ATOM 514 CA PHE A 37 1.926 9.239 10.698 1.00 0.00 C ATOM 515 C PHE A 37 2.813 9.572 9.502 1.00 0.00 C ATOM 516 O PHE A 37 4.037 9.619 9.617 1.00 0.00 O ATOM 517 CB PHE A 37 2.785 9.066 11.953 1.00 0.00 C ATOM 518 CG PHE A 37 2.113 8.270 13.035 1.00 0.00 C ATOM 519 CD1 PHE A 37 0.887 8.666 13.545 1.00 0.00 C ATOM 520 CD2 PHE A 37 2.706 7.125 13.541 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.267 7.936 14.541 1.00 0.00 C ATOM 522 CE2 PHE A 37 2.091 6.390 14.537 1.00 0.00 C ATOM 523 CZ PHE A 37 0.869 6.796 15.037 1.00 0.00 C ATOM 0 H PHE A 37 1.696 7.236 10.122 1.00 0.00 H new ATOM 0 HA PHE A 37 1.231 10.064 10.853 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.719 8.576 11.679 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.044 10.050 12.344 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.411 9.555 13.160 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.661 6.803 13.152 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.688 8.257 14.931 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.565 5.500 14.924 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.385 6.223 15.814 1.00 0.00 H new ATOM 533 N GLY A 38 2.185 9.801 8.353 1.00 0.00 N ATOM 534 CA GLY A 38 2.932 10.126 7.152 1.00 0.00 C ATOM 535 C GLY A 38 2.040 10.623 6.031 1.00 0.00 C ATOM 536 O GLY A 38 0.847 10.852 6.234 1.00 0.00 O ATOM 0 H GLY A 38 1.173 9.767 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.676 10.888 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.475 9.243 6.816 1.00 0.00 H new ATOM 540 N ILE A 39 2.619 10.792 4.847 1.00 0.00 N ATOM 541 CA ILE A 39 1.868 11.266 3.691 1.00 0.00 C ATOM 542 C ILE A 39 0.815 10.248 3.265 1.00 0.00 C ATOM 543 O ILE A 39 -0.174 10.595 2.618 1.00 0.00 O ATOM 544 CB ILE A 39 2.797 11.557 2.498 1.00 0.00 C ATOM 545 CG1 ILE A 39 3.326 10.250 1.904 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.948 12.454 2.929 1.00 0.00 C ATOM 547 CD1 ILE A 39 4.226 9.480 2.845 1.00 0.00 C ATOM 0 H ILE A 39 3.605 10.608 4.663 1.00 0.00 H new ATOM 0 HA ILE A 39 1.375 12.191 3.991 1.00 0.00 H new ATOM 0 HB ILE A 39 2.225 12.077 1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.482 9.620 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.875 10.472 0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.596 12.651 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.553 13.396 3.309 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.521 11.959 3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.564 8.565 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.089 10.092 3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.674 9.227 3.750 1.00 0.00 H new ATOM 559 N HIS A 40 1.034 8.989 3.632 1.00 0.00 N ATOM 560 CA HIS A 40 0.102 7.920 3.290 1.00 0.00 C ATOM 561 C HIS A 40 -1.167 8.016 4.131 1.00 0.00 C ATOM 562 O HIS A 40 -1.436 7.155 4.969 1.00 0.00 O ATOM 563 CB HIS A 40 0.761 6.556 3.494 1.00 0.00 C ATOM 564 CG HIS A 40 1.766 6.212 2.437 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.415 5.859 1.151 1.00 0.00 N ATOM 566 CD2 HIS A 40 3.118 6.171 2.481 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.507 5.614 0.451 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.555 5.796 1.235 1.00 0.00 N ATOM 0 H HIS A 40 1.848 8.684 4.166 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.170 8.030 2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.250 6.540 4.468 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.012 5.787 3.513 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.738 6.392 3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.539 5.315 -0.586 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.530 5.677 0.959 1.00 0.00 H new ATOM 576 N LYS A 41 -1.945 9.069 3.903 1.00 0.00 N ATOM 577 CA LYS A 41 -3.186 9.278 4.638 1.00 0.00 C ATOM 578 C LYS A 41 -4.393 8.887 3.791 1.00 0.00 C ATOM 579 O LYS A 41 -5.249 8.121 4.230 1.00 0.00 O ATOM 580 CB LYS A 41 -3.306 10.741 5.072 1.00 0.00 C ATOM 581 CG LYS A 41 -2.194 11.193 6.003 1.00 0.00 C ATOM 582 CD LYS A 41 -2.312 10.540 7.370 1.00 0.00 C ATOM 583 CE LYS A 41 -3.237 11.328 8.285 1.00 0.00 C ATOM 584 NZ LYS A 41 -2.697 12.682 8.588 1.00 0.00 N ATOM 0 H LYS A 41 -1.737 9.792 3.214 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.165 8.643 5.524 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.306 11.375 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.265 10.886 5.568 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.227 10.947 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.228 12.277 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.689 9.523 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.325 10.465 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.216 11.424 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.382 10.779 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.112 13.030 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.663 12.629 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.939 13.333 7.814 1.00 0.00 H new ATOM 598 N ALA A 42 -4.453 9.419 2.574 1.00 0.00 N ATOM 599 CA ALA A 42 -5.553 9.122 1.665 1.00 0.00 C ATOM 600 C ALA A 42 -5.332 7.793 0.952 1.00 0.00 C ATOM 601 O ALA A 42 -5.714 7.627 -0.207 1.00 0.00 O ATOM 602 CB ALA A 42 -5.717 10.246 0.652 1.00 0.00 C ATOM 0 H ALA A 42 -3.753 10.057 2.196 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.467 9.041 2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.542 10.012 -0.021 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.929 11.179 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.798 10.354 0.076 1.00 0.00 H new ATOM 608 N CYS A 43 -4.713 6.847 1.651 1.00 0.00 N ATOM 609 CA CYS A 43 -4.441 5.532 1.085 1.00 0.00 C ATOM 610 C CYS A 43 -5.142 4.439 1.887 1.00 0.00 C ATOM 611 O CYS A 43 -5.831 4.720 2.866 1.00 0.00 O ATOM 612 CB CYS A 43 -2.934 5.269 1.053 1.00 0.00 C ATOM 613 SG CYS A 43 -2.066 6.085 -0.325 1.00 0.00 S ATOM 0 H CYS A 43 -4.390 6.967 2.611 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.828 5.516 0.066 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.497 5.605 1.993 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.765 4.194 0.989 1.00 0.00 H new ATOM 618 N GLU A 44 -4.960 3.192 1.462 1.00 0.00 N ATOM 619 CA GLU A 44 -5.575 2.057 2.141 1.00 0.00 C ATOM 620 C GLU A 44 -4.595 0.893 2.253 1.00 0.00 C ATOM 621 O GLU A 44 -4.325 0.197 1.273 1.00 0.00 O ATOM 622 CB GLU A 44 -6.833 1.609 1.393 1.00 0.00 C ATOM 623 CG GLU A 44 -7.734 2.758 0.974 1.00 0.00 C ATOM 624 CD GLU A 44 -8.413 3.427 2.154 1.00 0.00 C ATOM 625 OE1 GLU A 44 -7.822 3.434 3.254 1.00 0.00 O ATOM 626 OE2 GLU A 44 -9.536 3.944 1.976 1.00 0.00 O ATOM 0 H GLU A 44 -4.393 2.943 0.652 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.851 2.374 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.538 1.048 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.399 0.927 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.145 3.497 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.493 2.387 0.285 1.00 0.00 H new ATOM 633 N VAL A 45 -4.063 0.688 3.454 1.00 0.00 N ATOM 634 CA VAL A 45 -3.113 -0.391 3.695 1.00 0.00 C ATOM 635 C VAL A 45 -3.825 -1.654 4.166 1.00 0.00 C ATOM 636 O VAL A 45 -4.851 -1.586 4.842 1.00 0.00 O ATOM 637 CB VAL A 45 -2.060 0.013 4.744 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.242 1.197 4.252 1.00 0.00 C ATOM 639 CG2 VAL A 45 -2.728 0.332 6.074 1.00 0.00 C ATOM 0 H VAL A 45 -4.274 1.255 4.275 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.613 -0.591 2.747 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.383 -0.828 4.895 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.504 1.468 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.733 0.928 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.902 2.045 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.969 0.615 6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.429 1.156 5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.265 -0.547 6.432 1.00 0.00 H new ATOM 649 N ALA A 46 -3.272 -2.808 3.804 1.00 0.00 N ATOM 650 CA ALA A 46 -3.852 -4.087 4.191 1.00 0.00 C ATOM 651 C ALA A 46 -2.771 -5.074 4.618 1.00 0.00 C ATOM 652 O ALA A 46 -1.593 -4.919 4.294 1.00 0.00 O ATOM 653 CB ALA A 46 -4.672 -4.663 3.046 1.00 0.00 C ATOM 0 H ALA A 46 -2.423 -2.882 3.243 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.509 -3.916 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.099 -5.619 3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.475 -3.972 2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.030 -4.812 2.178 1.00 0.00 H new ATOM 659 N PRO A 47 -3.177 -6.112 5.364 1.00 0.00 N ATOM 660 CA PRO A 47 -2.257 -7.144 5.851 1.00 0.00 C ATOM 661 C PRO A 47 -1.732 -8.031 4.727 1.00 0.00 C ATOM 662 O PRO A 47 -2.440 -8.909 4.233 1.00 0.00 O ATOM 663 CB PRO A 47 -3.119 -7.961 6.817 1.00 0.00 C ATOM 664 CG PRO A 47 -4.517 -7.756 6.343 1.00 0.00 C ATOM 665 CD PRO A 47 -4.565 -6.359 5.788 1.00 0.00 C ATOM 0 HA PRO A 47 -1.368 -6.712 6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.845 -9.016 6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.995 -7.619 7.844 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.782 -8.488 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.228 -7.876 7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.260 -6.283 4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.890 -5.639 6.539 1.00 0.00 H new ATOM 673 N LEU A 48 -0.487 -7.796 4.327 1.00 0.00 N ATOM 674 CA LEU A 48 0.134 -8.574 3.261 1.00 0.00 C ATOM 675 C LEU A 48 -0.371 -10.013 3.272 1.00 0.00 C ATOM 676 O LEU A 48 -0.853 -10.519 2.259 1.00 0.00 O ATOM 677 CB LEU A 48 1.656 -8.554 3.408 1.00 0.00 C ATOM 678 CG LEU A 48 2.391 -7.455 2.638 1.00 0.00 C ATOM 679 CD1 LEU A 48 2.564 -6.219 3.507 1.00 0.00 C ATOM 680 CD2 LEU A 48 3.741 -7.959 2.149 1.00 0.00 C ATOM 0 H LEU A 48 0.112 -7.073 4.725 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.138 -8.120 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.897 -8.452 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.045 -9.519 3.084 1.00 0.00 H new ATOM 0 HG LEU A 48 1.791 -7.182 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.089 -5.448 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.585 -5.846 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.142 -6.476 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.250 -7.164 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.348 -8.260 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.593 -8.814 1.490 1.00 0.00 H new ATOM 692 N GLN A 49 -0.258 -10.665 4.425 1.00 0.00 N ATOM 693 CA GLN A 49 -0.704 -12.046 4.568 1.00 0.00 C ATOM 694 C GLN A 49 -2.044 -12.260 3.872 1.00 0.00 C ATOM 695 O GLN A 49 -2.185 -13.152 3.036 1.00 0.00 O ATOM 696 CB GLN A 49 -0.820 -12.416 6.047 1.00 0.00 C ATOM 697 CG GLN A 49 -1.372 -13.812 6.284 1.00 0.00 C ATOM 698 CD GLN A 49 -0.479 -14.897 5.716 1.00 0.00 C ATOM 699 OE1 GLN A 49 0.521 -14.612 5.057 1.00 0.00 O ATOM 700 NE2 GLN A 49 -0.835 -16.151 5.971 1.00 0.00 N ATOM 0 H GLN A 49 0.138 -10.259 5.273 1.00 0.00 H new ATOM 0 HA GLN A 49 0.037 -12.691 4.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.164 -12.340 6.510 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.463 -11.691 6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.496 -13.973 7.355 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.362 -13.889 5.834 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.672 -16.342 6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.271 -16.923 5.616 1.00 0.00 H new ATOM 709 N SER A 50 -3.026 -11.435 4.222 1.00 0.00 N ATOM 710 CA SER A 50 -4.356 -11.537 3.634 1.00 0.00 C ATOM 711 C SER A 50 -4.762 -10.220 2.978 1.00 0.00 C ATOM 712 O SER A 50 -5.458 -9.402 3.579 1.00 0.00 O ATOM 713 CB SER A 50 -5.381 -11.924 4.702 1.00 0.00 C ATOM 714 OG SER A 50 -6.560 -12.445 4.113 1.00 0.00 O ATOM 0 H SER A 50 -2.925 -10.689 4.910 1.00 0.00 H new ATOM 0 HA SER A 50 -4.329 -12.312 2.868 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.948 -12.665 5.374 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.628 -11.051 5.307 1.00 0.00 H new ATOM 0 HG SER A 50 -7.198 -12.686 4.817 1.00 0.00 H new ATOM 720 N VAL A 51 -4.321 -10.023 1.740 1.00 0.00 N ATOM 721 CA VAL A 51 -4.638 -8.808 1.000 1.00 0.00 C ATOM 722 C VAL A 51 -5.765 -9.050 0.002 1.00 0.00 C ATOM 723 O VAL A 51 -6.713 -8.269 -0.082 1.00 0.00 O ATOM 724 CB VAL A 51 -3.406 -8.272 0.246 1.00 0.00 C ATOM 725 CG1 VAL A 51 -3.758 -7.007 -0.522 1.00 0.00 C ATOM 726 CG2 VAL A 51 -2.260 -8.017 1.213 1.00 0.00 C ATOM 0 H VAL A 51 -3.743 -10.690 1.228 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.958 -8.066 1.732 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.085 -9.026 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.875 -6.643 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.546 -7.226 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.106 -6.244 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.398 -7.639 0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.568 -7.282 1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.992 -8.948 1.713 1.00 0.00 H new ATOM 736 N PHE A 52 -5.655 -10.137 -0.754 1.00 0.00 N ATOM 737 CA PHE A 52 -6.665 -10.483 -1.747 1.00 0.00 C ATOM 738 C PHE A 52 -8.058 -10.085 -1.268 1.00 0.00 C ATOM 739 O PHE A 52 -8.817 -9.447 -1.998 1.00 0.00 O ATOM 740 CB PHE A 52 -6.625 -11.984 -2.045 1.00 0.00 C ATOM 741 CG PHE A 52 -7.055 -12.329 -3.442 1.00 0.00 C ATOM 742 CD1 PHE A 52 -8.328 -12.012 -3.888 1.00 0.00 C ATOM 743 CD2 PHE A 52 -6.186 -12.970 -4.310 1.00 0.00 C ATOM 744 CE1 PHE A 52 -8.727 -12.330 -5.172 1.00 0.00 C ATOM 745 CE2 PHE A 52 -6.578 -13.289 -5.596 1.00 0.00 C ATOM 746 CZ PHE A 52 -7.850 -12.968 -6.028 1.00 0.00 C ATOM 0 H PHE A 52 -4.876 -10.794 -0.698 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.443 -9.932 -2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.611 -12.351 -1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.269 -12.504 -1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.016 -11.510 -3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.190 -13.223 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.723 -12.080 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.891 -13.789 -6.263 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.159 -13.215 -7.033 1.00 0.00 H new ATOM 756 N GLN A 53 -8.386 -10.467 -0.038 1.00 0.00 N ATOM 757 CA GLN A 53 -9.688 -10.151 0.538 1.00 0.00 C ATOM 758 C GLN A 53 -9.691 -8.749 1.139 1.00 0.00 C ATOM 759 O GLN A 53 -10.617 -7.970 0.917 1.00 0.00 O ATOM 760 CB GLN A 53 -10.059 -11.179 1.608 1.00 0.00 C ATOM 761 CG GLN A 53 -9.062 -11.252 2.753 1.00 0.00 C ATOM 762 CD GLN A 53 -9.352 -10.241 3.845 1.00 0.00 C ATOM 763 OE1 GLN A 53 -10.503 -9.861 4.065 1.00 0.00 O ATOM 764 NE2 GLN A 53 -8.308 -9.800 4.537 1.00 0.00 N ATOM 0 H GLN A 53 -7.769 -10.995 0.579 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.429 -10.186 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.043 -10.935 2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.139 -12.162 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.077 -12.255 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.057 -11.085 2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.372 -10.142 4.321 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.442 -9.119 5.285 1.00 0.00 H new ATOM 773 N GLY A 54 -8.649 -8.436 1.903 1.00 0.00 N ATOM 774 CA GLY A 54 -8.552 -7.128 2.525 1.00 0.00 C ATOM 775 C GLY A 54 -8.760 -5.998 1.536 1.00 0.00 C ATOM 776 O GLY A 54 -8.026 -5.880 0.556 1.00 0.00 O ATOM 0 H GLY A 54 -7.871 -9.064 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.293 -7.052 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.572 -7.023 2.991 1.00 0.00 H new ATOM 780 N GLN A 55 -9.765 -5.168 1.793 1.00 0.00 N ATOM 781 CA GLN A 55 -10.070 -4.043 0.916 1.00 0.00 C ATOM 782 C GLN A 55 -9.708 -2.720 1.582 1.00 0.00 C ATOM 783 O GLN A 55 -9.126 -1.835 0.954 1.00 0.00 O ATOM 784 CB GLN A 55 -11.552 -4.050 0.539 1.00 0.00 C ATOM 785 CG GLN A 55 -12.482 -3.852 1.725 1.00 0.00 C ATOM 786 CD GLN A 55 -13.935 -3.725 1.312 1.00 0.00 C ATOM 787 OE1 GLN A 55 -14.265 -2.997 0.376 1.00 0.00 O ATOM 788 NE2 GLN A 55 -14.814 -4.434 2.011 1.00 0.00 N ATOM 0 H GLN A 55 -10.382 -5.253 2.601 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.472 -4.148 0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.736 -3.263 -0.192 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.791 -4.997 0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.375 -4.693 2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.184 -2.957 2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.497 -5.025 2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.806 -4.388 1.779 1.00 0.00 H new ATOM 797 N LYS A 56 -10.056 -2.590 2.857 1.00 0.00 N ATOM 798 CA LYS A 56 -9.768 -1.375 3.610 1.00 0.00 C ATOM 799 C LYS A 56 -9.053 -1.702 4.917 1.00 0.00 C ATOM 800 O LYS A 56 -8.819 -2.869 5.235 1.00 0.00 O ATOM 801 CB LYS A 56 -11.062 -0.612 3.901 1.00 0.00 C ATOM 802 CG LYS A 56 -11.706 -0.013 2.663 1.00 0.00 C ATOM 803 CD LYS A 56 -13.088 0.543 2.967 1.00 0.00 C ATOM 804 CE LYS A 56 -13.526 1.552 1.917 1.00 0.00 C ATOM 805 NZ LYS A 56 -13.707 0.920 0.581 1.00 0.00 N ATOM 0 H LYS A 56 -10.539 -3.312 3.392 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.113 -0.749 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.772 -1.287 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.851 0.186 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.072 0.781 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.782 -0.774 1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.808 -0.274 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.083 1.017 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.461 2.017 2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.783 2.347 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.038 1.634 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.800 0.528 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.409 0.156 0.651 1.00 0.00 H new ATOM 819 N THR A 57 -8.709 -0.664 5.674 1.00 0.00 N ATOM 820 CA THR A 57 -8.021 -0.841 6.946 1.00 0.00 C ATOM 821 C THR A 57 -8.930 -0.484 8.117 1.00 0.00 C ATOM 822 O THR A 57 -8.842 -1.083 9.188 1.00 0.00 O ATOM 823 CB THR A 57 -6.746 0.020 7.020 1.00 0.00 C ATOM 824 OG1 THR A 57 -6.098 -0.171 8.283 1.00 0.00 O ATOM 825 CG2 THR A 57 -7.075 1.493 6.831 1.00 0.00 C ATOM 0 H THR A 57 -8.896 0.308 5.427 1.00 0.00 H new ATOM 0 HA THR A 57 -7.744 -1.893 7.012 1.00 0.00 H new ATOM 0 HB THR A 57 -6.077 -0.292 6.218 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.288 0.379 8.321 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.159 2.081 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.541 1.640 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.762 1.816 7.614 1.00 0.00 H new ATOM 833 N GLU A 58 -9.803 0.496 7.905 1.00 0.00 N ATOM 834 CA GLU A 58 -10.728 0.932 8.944 1.00 0.00 C ATOM 835 C GLU A 58 -12.166 0.577 8.576 1.00 0.00 C ATOM 836 O GLU A 58 -12.699 1.056 7.576 1.00 0.00 O ATOM 837 CB GLU A 58 -10.605 2.441 9.167 1.00 0.00 C ATOM 838 CG GLU A 58 -9.312 2.851 9.851 1.00 0.00 C ATOM 839 CD GLU A 58 -9.360 2.658 11.354 1.00 0.00 C ATOM 840 OE1 GLU A 58 -9.256 1.498 11.805 1.00 0.00 O ATOM 841 OE2 GLU A 58 -9.500 3.665 12.078 1.00 0.00 O ATOM 0 H GLU A 58 -9.889 1.002 7.024 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.468 0.413 9.867 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.674 2.949 8.205 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.448 2.781 9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.487 2.269 9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.104 3.898 9.629 1.00 0.00 H new ATOM 848 N SER A 59 -12.788 -0.268 9.393 1.00 0.00 N ATOM 849 CA SER A 59 -14.163 -0.691 9.153 1.00 0.00 C ATOM 850 C SER A 59 -15.126 0.482 9.299 1.00 0.00 C ATOM 851 O SER A 59 -15.530 0.834 10.406 1.00 0.00 O ATOM 852 CB SER A 59 -14.551 -1.809 10.122 1.00 0.00 C ATOM 853 OG SER A 59 -15.866 -2.271 9.867 1.00 0.00 O ATOM 0 H SER A 59 -12.362 -0.673 10.226 1.00 0.00 H new ATOM 0 HA SER A 59 -14.229 -1.066 8.132 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.847 -2.636 10.029 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.482 -1.446 11.147 1.00 0.00 H new ATOM 0 HG SER A 59 -16.090 -2.986 10.498 1.00 0.00 H new ATOM 859 N GLY A 60 -15.491 1.084 8.171 1.00 0.00 N ATOM 860 CA GLY A 60 -16.404 2.212 8.193 1.00 0.00 C ATOM 861 C GLY A 60 -17.640 1.975 7.348 1.00 0.00 C ATOM 862 O GLY A 60 -17.555 1.617 6.173 1.00 0.00 O ATOM 0 H GLY A 60 -15.171 0.810 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.704 2.412 9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.887 3.101 7.833 1.00 0.00 H new ATOM 866 N PRO A 61 -18.821 2.174 7.951 1.00 0.00 N ATOM 867 CA PRO A 61 -20.103 1.984 7.265 1.00 0.00 C ATOM 868 C PRO A 61 -20.355 3.048 6.203 1.00 0.00 C ATOM 869 O PRO A 61 -20.645 4.201 6.522 1.00 0.00 O ATOM 870 CB PRO A 61 -21.131 2.100 8.393 1.00 0.00 C ATOM 871 CG PRO A 61 -20.461 2.934 9.430 1.00 0.00 C ATOM 872 CD PRO A 61 -18.998 2.600 9.350 1.00 0.00 C ATOM 0 HA PRO A 61 -20.142 1.035 6.731 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -22.052 2.567 8.043 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -21.400 1.120 8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -20.629 3.995 9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -20.857 2.716 10.422 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -18.375 3.462 9.589 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -18.728 1.808 10.048 1.00 0.00 H new ATOM 880 N SER A 62 -20.242 2.655 4.938 1.00 0.00 N ATOM 881 CA SER A 62 -20.455 3.576 3.829 1.00 0.00 C ATOM 882 C SER A 62 -21.891 3.494 3.321 1.00 0.00 C ATOM 883 O SER A 62 -22.138 3.510 2.115 1.00 0.00 O ATOM 884 CB SER A 62 -19.481 3.269 2.689 1.00 0.00 C ATOM 885 OG SER A 62 -19.866 2.097 1.992 1.00 0.00 O ATOM 0 H SER A 62 -20.004 1.704 4.656 1.00 0.00 H new ATOM 0 HA SER A 62 -20.274 4.588 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.447 4.112 1.999 1.00 0.00 H new ATOM 0 HB3 SER A 62 -18.475 3.144 3.090 1.00 0.00 H new ATOM 0 HG SER A 62 -20.687 2.272 1.486 1.00 0.00 H new ATOM 891 N SER A 63 -22.837 3.406 4.252 1.00 0.00 N ATOM 892 CA SER A 63 -24.249 3.318 3.901 1.00 0.00 C ATOM 893 C SER A 63 -24.587 4.276 2.763 1.00 0.00 C ATOM 894 O SER A 63 -24.423 5.489 2.889 1.00 0.00 O ATOM 895 CB SER A 63 -25.120 3.627 5.120 1.00 0.00 C ATOM 896 OG SER A 63 -26.384 2.996 5.017 1.00 0.00 O ATOM 0 H SER A 63 -22.650 3.394 5.255 1.00 0.00 H new ATOM 0 HA SER A 63 -24.452 2.300 3.568 1.00 0.00 H new ATOM 0 HB2 SER A 63 -24.615 3.291 6.026 1.00 0.00 H new ATOM 0 HB3 SER A 63 -25.255 4.705 5.211 1.00 0.00 H new ATOM 0 HG SER A 63 -26.921 3.208 5.809 1.00 0.00 H new ATOM 902 N GLY A 64 -25.061 3.722 1.652 1.00 0.00 N ATOM 903 CA GLY A 64 -25.415 4.541 0.507 1.00 0.00 C ATOM 904 C GLY A 64 -24.199 5.057 -0.236 1.00 0.00 C ATOM 905 O GLY A 64 -24.276 6.123 -0.844 1.00 0.00 O ATOM 0 H GLY A 64 -25.206 2.721 1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -26.033 3.958 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -26.018 5.385 0.841 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.730 4.554 6.166 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.056 4.819 -0.303 1.00 0.00 ZN