USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 298 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 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) 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 9 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.042) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0425 K(o=-0.043,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc=-0.00298 (180deg=-0.112) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= -0.434 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.587 K(o=-0.59,f=-1.5!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=-0.32) USER MOD Single : A 34 THR OG1 : rot -29:sc= 0.95 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 40:sc= 0.9 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.880 5.162 2.244 1.00 0.00 N ATOM 2 CA GLY A 1 28.095 5.998 1.355 1.00 0.00 C ATOM 3 C GLY A 1 26.643 5.567 1.285 1.00 0.00 C ATOM 4 O GLY A 1 25.854 5.872 2.180 1.00 0.00 O ATOM 0 H1 GLY A 1 29.864 5.498 2.257 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.485 5.210 3.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.854 4.178 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.148 7.033 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.528 5.967 0.355 1.00 0.00 H new ATOM 8 N SER A 2 26.289 4.857 0.219 1.00 0.00 N ATOM 9 CA SER A 2 24.921 4.388 0.033 1.00 0.00 C ATOM 10 C SER A 2 24.892 2.883 -0.214 1.00 0.00 C ATOM 11 O SER A 2 24.149 2.397 -1.067 1.00 0.00 O ATOM 12 CB SER A 2 24.263 5.121 -1.138 1.00 0.00 C ATOM 13 OG SER A 2 24.382 6.526 -0.992 1.00 0.00 O ATOM 0 H SER A 2 26.930 4.594 -0.529 1.00 0.00 H new ATOM 0 HA SER A 2 24.363 4.600 0.945 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.727 4.809 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.210 4.846 -1.197 1.00 0.00 H new ATOM 0 HG SER A 2 23.955 6.971 -1.754 1.00 0.00 H new ATOM 19 N SER A 3 25.705 2.150 0.540 1.00 0.00 N ATOM 20 CA SER A 3 25.776 0.700 0.401 1.00 0.00 C ATOM 21 C SER A 3 24.595 0.030 1.096 1.00 0.00 C ATOM 22 O SER A 3 24.016 0.581 2.032 1.00 0.00 O ATOM 23 CB SER A 3 27.090 0.175 0.983 1.00 0.00 C ATOM 24 OG SER A 3 27.090 0.258 2.398 1.00 0.00 O ATOM 0 H SER A 3 26.324 2.536 1.253 1.00 0.00 H new ATOM 0 HA SER A 3 25.735 0.458 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.239 -0.860 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.925 0.750 0.582 1.00 0.00 H new ATOM 0 HG SER A 3 27.940 -0.085 2.746 1.00 0.00 H new ATOM 30 N GLY A 4 24.242 -1.165 0.630 1.00 0.00 N ATOM 31 CA GLY A 4 23.132 -1.892 1.218 1.00 0.00 C ATOM 32 C GLY A 4 22.516 -2.886 0.254 1.00 0.00 C ATOM 33 O GLY A 4 21.401 -2.686 -0.227 1.00 0.00 O ATOM 0 H GLY A 4 24.705 -1.642 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.477 -2.419 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.369 -1.184 1.543 1.00 0.00 H new ATOM 37 N SER A 5 23.244 -3.961 -0.031 1.00 0.00 N ATOM 38 CA SER A 5 22.765 -4.988 -0.949 1.00 0.00 C ATOM 39 C SER A 5 21.328 -5.383 -0.619 1.00 0.00 C ATOM 40 O SER A 5 20.450 -5.347 -1.481 1.00 0.00 O ATOM 41 CB SER A 5 23.671 -6.219 -0.888 1.00 0.00 C ATOM 42 OG SER A 5 23.347 -7.141 -1.915 1.00 0.00 O ATOM 0 H SER A 5 24.168 -4.143 0.361 1.00 0.00 H new ATOM 0 HA SER A 5 22.789 -4.578 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.713 -5.913 -0.985 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.569 -6.702 0.084 1.00 0.00 H new ATOM 0 HG SER A 5 23.941 -7.918 -1.856 1.00 0.00 H new ATOM 48 N SER A 6 21.097 -5.759 0.634 1.00 0.00 N ATOM 49 CA SER A 6 19.769 -6.165 1.078 1.00 0.00 C ATOM 50 C SER A 6 18.767 -5.027 0.906 1.00 0.00 C ATOM 51 O SER A 6 19.144 -3.857 0.848 1.00 0.00 O ATOM 52 CB SER A 6 19.810 -6.606 2.543 1.00 0.00 C ATOM 53 OG SER A 6 18.806 -7.569 2.814 1.00 0.00 O ATOM 0 H SER A 6 21.812 -5.791 1.360 1.00 0.00 H new ATOM 0 HA SER A 6 19.448 -7.005 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.790 -7.023 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.672 -5.740 3.191 1.00 0.00 H new ATOM 0 HG SER A 6 18.854 -7.836 3.756 1.00 0.00 H new ATOM 59 N GLY A 7 17.488 -5.380 0.824 1.00 0.00 N ATOM 60 CA GLY A 7 16.451 -4.378 0.659 1.00 0.00 C ATOM 61 C GLY A 7 15.813 -3.982 1.975 1.00 0.00 C ATOM 62 O GLY A 7 15.375 -4.839 2.742 1.00 0.00 O ATOM 0 H GLY A 7 17.151 -6.342 0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.877 -3.494 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.683 -4.762 -0.013 1.00 0.00 H new ATOM 66 N GLU A 8 15.761 -2.680 2.238 1.00 0.00 N ATOM 67 CA GLU A 8 15.173 -2.173 3.472 1.00 0.00 C ATOM 68 C GLU A 8 13.788 -1.586 3.215 1.00 0.00 C ATOM 69 O GLU A 8 13.615 -0.368 3.175 1.00 0.00 O ATOM 70 CB GLU A 8 16.081 -1.112 4.097 1.00 0.00 C ATOM 71 CG GLU A 8 17.353 -1.680 4.704 1.00 0.00 C ATOM 72 CD GLU A 8 17.128 -2.277 6.079 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.053 -2.877 6.296 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.024 -2.145 6.938 1.00 0.00 O ATOM 0 H GLU A 8 16.119 -1.958 1.613 1.00 0.00 H new ATOM 0 HA GLU A 8 15.071 -3.008 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.348 -0.380 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.526 -0.580 4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.757 -2.446 4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.102 -0.891 4.773 1.00 0.00 H new ATOM 81 N LYS A 9 12.804 -2.461 3.040 1.00 0.00 N ATOM 82 CA LYS A 9 11.434 -2.032 2.787 1.00 0.00 C ATOM 83 C LYS A 9 11.388 -0.981 1.683 1.00 0.00 C ATOM 84 O LYS A 9 10.838 0.107 1.851 1.00 0.00 O ATOM 85 CB LYS A 9 10.809 -1.471 4.066 1.00 0.00 C ATOM 86 CG LYS A 9 10.736 -2.478 5.200 1.00 0.00 C ATOM 87 CD LYS A 9 10.441 -1.802 6.529 1.00 0.00 C ATOM 88 CE LYS A 9 8.945 -1.698 6.781 1.00 0.00 C ATOM 89 NZ LYS A 9 8.354 -3.009 7.167 1.00 0.00 N ATOM 0 H LYS A 9 12.930 -3.473 3.069 1.00 0.00 H new ATOM 0 HA LYS A 9 10.862 -2.901 2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.388 -0.608 4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.803 -1.114 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.961 -3.214 4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.679 -3.020 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.909 -2.365 7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.883 -0.806 6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.760 -0.970 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.451 -1.327 5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.382 -2.865 7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.340 -3.640 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.926 -3.439 7.922 1.00 0.00 H new ATOM 103 N PRO A 10 11.978 -1.312 0.524 1.00 0.00 N ATOM 104 CA PRO A 10 12.016 -0.411 -0.631 1.00 0.00 C ATOM 105 C PRO A 10 10.643 -0.229 -1.269 1.00 0.00 C ATOM 106 O PRO A 10 10.381 0.780 -1.925 1.00 0.00 O ATOM 107 CB PRO A 10 12.967 -1.116 -1.600 1.00 0.00 C ATOM 108 CG PRO A 10 12.883 -2.558 -1.232 1.00 0.00 C ATOM 109 CD PRO A 10 12.653 -2.593 0.253 1.00 0.00 C ATOM 0 HA PRO A 10 12.336 0.594 -0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.669 -0.954 -2.636 1.00 0.00 H new ATOM 0 HB3 PRO A 10 13.985 -0.740 -1.499 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.069 -3.050 -1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.801 -3.083 -1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 10 12.035 -3.442 0.544 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.590 -2.678 0.803 1.00 0.00 H new ATOM 117 N TYR A 11 9.770 -1.210 -1.073 1.00 0.00 N ATOM 118 CA TYR A 11 8.424 -1.159 -1.632 1.00 0.00 C ATOM 119 C TYR A 11 7.403 -0.791 -0.560 1.00 0.00 C ATOM 120 O TYR A 11 7.453 -1.295 0.561 1.00 0.00 O ATOM 121 CB TYR A 11 8.058 -2.505 -2.260 1.00 0.00 C ATOM 122 CG TYR A 11 9.067 -2.995 -3.273 1.00 0.00 C ATOM 123 CD1 TYR A 11 8.957 -2.650 -4.615 1.00 0.00 C ATOM 124 CD2 TYR A 11 10.130 -3.803 -2.891 1.00 0.00 C ATOM 125 CE1 TYR A 11 9.876 -3.095 -5.545 1.00 0.00 C ATOM 126 CE2 TYR A 11 11.055 -4.252 -3.813 1.00 0.00 C ATOM 127 CZ TYR A 11 10.923 -3.896 -5.139 1.00 0.00 C ATOM 128 OH TYR A 11 11.841 -4.342 -6.062 1.00 0.00 O ATOM 0 H TYR A 11 9.970 -2.051 -0.531 1.00 0.00 H new ATOM 0 HA TYR A 11 8.408 -0.389 -2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.958 -3.250 -1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.084 -2.419 -2.742 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.138 -2.023 -4.936 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.235 -4.085 -1.854 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.775 -2.817 -6.584 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.877 -4.878 -3.498 1.00 0.00 H new ATOM 0 HH TYR A 11 12.515 -4.894 -5.613 1.00 0.00 H new ATOM 138 N GLY A 12 6.475 0.094 -0.914 1.00 0.00 N ATOM 139 CA GLY A 12 5.455 0.516 0.027 1.00 0.00 C ATOM 140 C GLY A 12 4.183 0.969 -0.662 1.00 0.00 C ATOM 141 O GLY A 12 4.205 1.355 -1.831 1.00 0.00 O ATOM 0 H GLY A 12 6.412 0.526 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.225 -0.308 0.703 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.843 1.331 0.638 1.00 0.00 H new ATOM 145 N CYS A 13 3.070 0.923 0.064 1.00 0.00 N ATOM 146 CA CYS A 13 1.782 1.331 -0.484 1.00 0.00 C ATOM 147 C CYS A 13 1.520 2.810 -0.216 1.00 0.00 C ATOM 148 O CYS A 13 1.543 3.256 0.930 1.00 0.00 O ATOM 149 CB CYS A 13 0.658 0.485 0.117 1.00 0.00 C ATOM 150 SG CYS A 13 -1.011 0.970 -0.429 1.00 0.00 S ATOM 0 H CYS A 13 3.035 0.607 1.033 1.00 0.00 H new ATOM 0 HA CYS A 13 1.808 1.175 -1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.825 -0.560 -0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.707 0.554 1.204 1.00 0.00 H new ATOM 155 N ASN A 14 1.271 3.564 -1.282 1.00 0.00 N ATOM 156 CA ASN A 14 1.004 4.993 -1.161 1.00 0.00 C ATOM 157 C ASN A 14 -0.496 5.264 -1.117 1.00 0.00 C ATOM 158 O ASN A 14 -0.957 6.323 -1.541 1.00 0.00 O ATOM 159 CB ASN A 14 1.637 5.751 -2.330 1.00 0.00 C ATOM 160 CG ASN A 14 2.020 7.170 -1.959 1.00 0.00 C ATOM 161 OD1 ASN A 14 1.640 7.671 -0.901 1.00 0.00 O ATOM 162 ND2 ASN A 14 2.775 7.826 -2.832 1.00 0.00 N ATOM 0 H ASN A 14 1.249 3.210 -2.238 1.00 0.00 H new ATOM 0 HA ASN A 14 1.445 5.343 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.523 5.215 -2.669 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.938 5.773 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.063 8.785 -2.638 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.067 7.371 -3.697 1.00 0.00 H new ATOM 169 N GLU A 15 -1.252 4.301 -0.600 1.00 0.00 N ATOM 170 CA GLU A 15 -2.700 4.437 -0.500 1.00 0.00 C ATOM 171 C GLU A 15 -3.148 4.434 0.959 1.00 0.00 C ATOM 172 O GLU A 15 -4.031 5.198 1.351 1.00 0.00 O ATOM 173 CB GLU A 15 -3.394 3.304 -1.260 1.00 0.00 C ATOM 174 CG GLU A 15 -2.915 3.150 -2.693 1.00 0.00 C ATOM 175 CD GLU A 15 -3.583 4.127 -3.641 1.00 0.00 C ATOM 176 OE1 GLU A 15 -4.822 4.264 -3.576 1.00 0.00 O ATOM 177 OE2 GLU A 15 -2.865 4.755 -4.447 1.00 0.00 O ATOM 0 H GLU A 15 -0.886 3.418 -0.244 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.981 5.391 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.229 2.367 -0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.469 3.485 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.835 3.296 -2.729 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.110 2.132 -3.030 1.00 0.00 H new ATOM 184 N CYS A 16 -2.532 3.570 1.759 1.00 0.00 N ATOM 185 CA CYS A 16 -2.867 3.465 3.174 1.00 0.00 C ATOM 186 C CYS A 16 -1.625 3.655 4.041 1.00 0.00 C ATOM 187 O CYS A 16 -1.677 4.305 5.085 1.00 0.00 O ATOM 188 CB CYS A 16 -3.506 2.108 3.470 1.00 0.00 C ATOM 189 SG CYS A 16 -2.361 0.699 3.327 1.00 0.00 S ATOM 0 H CYS A 16 -1.798 2.932 1.451 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.581 4.254 3.413 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.919 2.125 4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.341 1.955 2.786 1.00 0.00 H new ATOM 194 N GLY A 17 -0.509 3.082 3.601 1.00 0.00 N ATOM 195 CA GLY A 17 0.729 3.199 4.348 1.00 0.00 C ATOM 196 C GLY A 17 1.382 1.855 4.604 1.00 0.00 C ATOM 197 O GLY A 17 2.268 1.736 5.451 1.00 0.00 O ATOM 0 H GLY A 17 -0.440 2.539 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.422 3.837 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.530 3.690 5.301 1.00 0.00 H new ATOM 201 N LYS A 18 0.942 0.837 3.871 1.00 0.00 N ATOM 202 CA LYS A 18 1.488 -0.507 4.022 1.00 0.00 C ATOM 203 C LYS A 18 2.938 -0.561 3.554 1.00 0.00 C ATOM 204 O LYS A 18 3.389 0.301 2.799 1.00 0.00 O ATOM 205 CB LYS A 18 0.648 -1.513 3.231 1.00 0.00 C ATOM 206 CG LYS A 18 0.624 -2.902 3.845 1.00 0.00 C ATOM 207 CD LYS A 18 -0.194 -2.932 5.126 1.00 0.00 C ATOM 208 CE LYS A 18 0.108 -4.173 5.951 1.00 0.00 C ATOM 209 NZ LYS A 18 1.446 -4.097 6.599 1.00 0.00 N ATOM 0 H LYS A 18 0.209 0.917 3.166 1.00 0.00 H new ATOM 0 HA LYS A 18 1.456 -0.768 5.080 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.374 -1.141 3.156 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.038 -1.581 2.216 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.207 -3.610 3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.643 -3.225 4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.019 -2.041 5.716 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.256 -2.906 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.659 -4.296 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.064 -5.054 5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.514 -4.822 7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.186 -4.260 5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.574 -3.155 7.022 1.00 0.00 H new ATOM 223 N ASP A 19 3.664 -1.578 4.006 1.00 0.00 N ATOM 224 CA ASP A 19 5.063 -1.745 3.631 1.00 0.00 C ATOM 225 C ASP A 19 5.355 -3.195 3.255 1.00 0.00 C ATOM 226 O ASP A 19 4.822 -4.124 3.862 1.00 0.00 O ATOM 227 CB ASP A 19 5.976 -1.308 4.777 1.00 0.00 C ATOM 228 CG ASP A 19 5.329 -1.493 6.136 1.00 0.00 C ATOM 229 OD1 ASP A 19 5.121 -2.656 6.540 1.00 0.00 O ATOM 230 OD2 ASP A 19 5.029 -0.475 6.794 1.00 0.00 O ATOM 0 H ASP A 19 3.307 -2.299 4.633 1.00 0.00 H new ATOM 0 HA ASP A 19 5.259 -1.117 2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.903 -1.881 4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.244 -0.260 4.645 1.00 0.00 H new ATOM 235 N PHE A 20 6.205 -3.380 2.251 1.00 0.00 N ATOM 236 CA PHE A 20 6.567 -4.717 1.793 1.00 0.00 C ATOM 237 C PHE A 20 8.043 -4.780 1.412 1.00 0.00 C ATOM 238 O PHE A 20 8.665 -3.758 1.124 1.00 0.00 O ATOM 239 CB PHE A 20 5.702 -5.120 0.596 1.00 0.00 C ATOM 240 CG PHE A 20 4.250 -4.772 0.761 1.00 0.00 C ATOM 241 CD1 PHE A 20 3.790 -3.501 0.459 1.00 0.00 C ATOM 242 CD2 PHE A 20 3.346 -5.717 1.219 1.00 0.00 C ATOM 243 CE1 PHE A 20 2.455 -3.178 0.610 1.00 0.00 C ATOM 244 CE2 PHE A 20 2.009 -5.400 1.372 1.00 0.00 C ATOM 245 CZ PHE A 20 1.563 -4.129 1.067 1.00 0.00 C ATOM 0 H PHE A 20 6.656 -2.622 1.739 1.00 0.00 H new ATOM 0 HA PHE A 20 6.391 -5.415 2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.085 -4.631 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.794 -6.194 0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.483 -2.754 0.101 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.690 -6.712 1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.109 -2.183 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.314 -6.145 1.730 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.519 -3.879 1.185 1.00 0.00 H new ATOM 255 N SER A 21 8.597 -5.988 1.413 1.00 0.00 N ATOM 256 CA SER A 21 10.001 -6.186 1.073 1.00 0.00 C ATOM 257 C SER A 21 10.160 -6.516 -0.408 1.00 0.00 C ATOM 258 O SER A 21 11.229 -6.324 -0.987 1.00 0.00 O ATOM 259 CB SER A 21 10.601 -7.306 1.924 1.00 0.00 C ATOM 260 OG SER A 21 12.015 -7.320 1.825 1.00 0.00 O ATOM 0 H SER A 21 8.095 -6.845 1.646 1.00 0.00 H new ATOM 0 HA SER A 21 10.534 -5.258 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.307 -7.173 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.201 -8.267 1.600 1.00 0.00 H new ATOM 0 HG SER A 21 12.375 -8.044 2.379 1.00 0.00 H new ATOM 266 N SER A 22 9.087 -7.013 -1.015 1.00 0.00 N ATOM 267 CA SER A 22 9.106 -7.374 -2.428 1.00 0.00 C ATOM 268 C SER A 22 8.221 -6.434 -3.241 1.00 0.00 C ATOM 269 O SER A 22 7.522 -5.585 -2.687 1.00 0.00 O ATOM 270 CB SER A 22 8.640 -8.819 -2.614 1.00 0.00 C ATOM 271 OG SER A 22 9.257 -9.413 -3.743 1.00 0.00 O ATOM 0 H SER A 22 8.193 -7.175 -0.550 1.00 0.00 H new ATOM 0 HA SER A 22 10.131 -7.281 -2.787 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.875 -9.398 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.557 -8.842 -2.733 1.00 0.00 H new ATOM 0 HG SER A 22 8.944 -10.337 -3.839 1.00 0.00 H new ATOM 277 N LYS A 23 8.257 -6.592 -4.560 1.00 0.00 N ATOM 278 CA LYS A 23 7.458 -5.759 -5.452 1.00 0.00 C ATOM 279 C LYS A 23 6.110 -6.411 -5.742 1.00 0.00 C ATOM 280 O LYS A 23 5.088 -5.731 -5.834 1.00 0.00 O ATOM 281 CB LYS A 23 8.210 -5.513 -6.762 1.00 0.00 C ATOM 282 CG LYS A 23 7.596 -4.420 -7.620 1.00 0.00 C ATOM 283 CD LYS A 23 8.393 -4.196 -8.894 1.00 0.00 C ATOM 284 CE LYS A 23 7.570 -3.471 -9.947 1.00 0.00 C ATOM 285 NZ LYS A 23 8.265 -3.430 -11.263 1.00 0.00 N ATOM 0 H LYS A 23 8.831 -7.289 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 23 7.281 -4.804 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.242 -5.248 -6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.238 -6.440 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.571 -4.689 -7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.551 -3.492 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.288 -3.616 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.727 -5.156 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.607 -3.968 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.366 -2.454 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.671 -2.928 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.173 -2.933 -11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.437 -4.400 -11.595 1.00 0.00 H new ATOM 299 N SER A 24 6.115 -7.732 -5.884 1.00 0.00 N ATOM 300 CA SER A 24 4.892 -8.475 -6.166 1.00 0.00 C ATOM 301 C SER A 24 3.902 -8.350 -5.012 1.00 0.00 C ATOM 302 O SER A 24 2.739 -7.996 -5.212 1.00 0.00 O ATOM 303 CB SER A 24 5.212 -9.949 -6.420 1.00 0.00 C ATOM 304 OG SER A 24 5.367 -10.655 -5.201 1.00 0.00 O ATOM 0 H SER A 24 6.952 -8.310 -5.809 1.00 0.00 H new ATOM 0 HA SER A 24 4.437 -8.050 -7.061 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.413 -10.402 -7.007 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.125 -10.030 -7.009 1.00 0.00 H new ATOM 0 HG SER A 24 5.569 -11.595 -5.391 1.00 0.00 H new ATOM 310 N TYR A 25 4.371 -8.642 -3.804 1.00 0.00 N ATOM 311 CA TYR A 25 3.528 -8.565 -2.617 1.00 0.00 C ATOM 312 C TYR A 25 2.757 -7.248 -2.581 1.00 0.00 C ATOM 313 O TYR A 25 1.607 -7.200 -2.143 1.00 0.00 O ATOM 314 CB TYR A 25 4.377 -8.707 -1.353 1.00 0.00 C ATOM 315 CG TYR A 25 4.896 -10.109 -1.126 1.00 0.00 C ATOM 316 CD1 TYR A 25 4.034 -11.199 -1.130 1.00 0.00 C ATOM 317 CD2 TYR A 25 6.248 -10.343 -0.908 1.00 0.00 C ATOM 318 CE1 TYR A 25 4.504 -12.481 -0.923 1.00 0.00 C ATOM 319 CE2 TYR A 25 6.726 -11.623 -0.702 1.00 0.00 C ATOM 320 CZ TYR A 25 5.851 -12.688 -0.710 1.00 0.00 C ATOM 321 OH TYR A 25 6.323 -13.964 -0.503 1.00 0.00 O ATOM 0 H TYR A 25 5.331 -8.934 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 25 2.810 -9.384 -2.658 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.222 -8.021 -1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.783 -8.405 -0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.979 -11.041 -1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.937 -9.511 -0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.820 -13.317 -0.928 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.780 -11.788 -0.536 1.00 0.00 H new ATOM 0 HH TYR A 25 7.294 -13.936 -0.370 1.00 0.00 H new ATOM 331 N LEU A 26 3.399 -6.182 -3.045 1.00 0.00 N ATOM 332 CA LEU A 26 2.776 -4.863 -3.067 1.00 0.00 C ATOM 333 C LEU A 26 1.690 -4.792 -4.136 1.00 0.00 C ATOM 334 O LEU A 26 0.529 -4.513 -3.837 1.00 0.00 O ATOM 335 CB LEU A 26 3.829 -3.784 -3.322 1.00 0.00 C ATOM 336 CG LEU A 26 3.296 -2.396 -3.679 1.00 0.00 C ATOM 337 CD1 LEU A 26 2.371 -1.883 -2.587 1.00 0.00 C ATOM 338 CD2 LEU A 26 4.445 -1.425 -3.908 1.00 0.00 C ATOM 0 H LEU A 26 4.351 -6.205 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 26 2.315 -4.690 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.451 -3.694 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.477 -4.121 -4.131 1.00 0.00 H new ATOM 0 HG LEU A 26 2.724 -2.474 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.001 -0.894 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.529 -2.566 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.918 -1.820 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.046 -0.443 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.045 -1.351 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.068 -1.785 -4.726 1.00 0.00 H new ATOM 350 N ILE A 27 2.075 -5.049 -5.381 1.00 0.00 N ATOM 351 CA ILE A 27 1.133 -5.017 -6.494 1.00 0.00 C ATOM 352 C ILE A 27 -0.136 -5.795 -6.161 1.00 0.00 C ATOM 353 O ILE A 27 -1.235 -5.408 -6.557 1.00 0.00 O ATOM 354 CB ILE A 27 1.757 -5.599 -7.776 1.00 0.00 C ATOM 355 CG1 ILE A 27 2.986 -4.785 -8.186 1.00 0.00 C ATOM 356 CG2 ILE A 27 0.732 -5.622 -8.900 1.00 0.00 C ATOM 357 CD1 ILE A 27 3.831 -5.458 -9.244 1.00 0.00 C ATOM 0 H ILE A 27 3.032 -5.282 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 27 0.881 -3.970 -6.665 1.00 0.00 H new ATOM 0 HB ILE A 27 2.073 -6.623 -7.577 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.661 -3.813 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.600 -4.601 -7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.188 -6.036 -9.800 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.117 -6.240 -8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.390 -4.607 -9.101 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.684 -4.824 -9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.186 -6.418 -8.870 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.232 -5.618 -10.141 1.00 0.00 H new ATOM 369 N VAL A 28 0.024 -6.893 -5.430 1.00 0.00 N ATOM 370 CA VAL A 28 -1.109 -7.724 -5.041 1.00 0.00 C ATOM 371 C VAL A 28 -1.978 -7.019 -4.005 1.00 0.00 C ATOM 372 O VAL A 28 -3.207 -7.081 -4.063 1.00 0.00 O ATOM 373 CB VAL A 28 -0.644 -9.076 -4.469 1.00 0.00 C ATOM 374 CG1 VAL A 28 -1.838 -9.908 -4.026 1.00 0.00 C ATOM 375 CG2 VAL A 28 0.190 -9.829 -5.494 1.00 0.00 C ATOM 0 H VAL A 28 0.927 -7.228 -5.095 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.695 -7.902 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.020 -8.886 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.490 -10.860 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.391 -9.370 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.491 -10.091 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.510 -10.782 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.408 -10.009 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.066 -9.236 -5.757 1.00 0.00 H new ATOM 385 N HIS A 29 -1.332 -6.347 -3.057 1.00 0.00 N ATOM 386 CA HIS A 29 -2.046 -5.628 -2.008 1.00 0.00 C ATOM 387 C HIS A 29 -2.803 -4.435 -2.585 1.00 0.00 C ATOM 388 O HIS A 29 -3.996 -4.267 -2.336 1.00 0.00 O ATOM 389 CB HIS A 29 -1.070 -5.154 -0.930 1.00 0.00 C ATOM 390 CG HIS A 29 -1.669 -4.173 0.030 1.00 0.00 C ATOM 391 ND1 HIS A 29 -2.419 -4.552 1.123 1.00 0.00 N ATOM 392 CD2 HIS A 29 -1.623 -2.821 0.058 1.00 0.00 C ATOM 393 CE1 HIS A 29 -2.810 -3.475 1.781 1.00 0.00 C ATOM 394 NE2 HIS A 29 -2.339 -2.411 1.155 1.00 0.00 N ATOM 0 H HIS A 29 -0.316 -6.286 -2.994 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.767 -6.311 -1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.707 -6.019 -0.374 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.204 -4.698 -1.410 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.638 -5.514 1.383 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.117 -2.183 -0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.412 -3.466 2.678 1.00 0.00 H new ATOM 402 N GLN A 30 -2.100 -3.611 -3.355 1.00 0.00 N ATOM 403 CA GLN A 30 -2.707 -2.434 -3.966 1.00 0.00 C ATOM 404 C GLN A 30 -4.057 -2.776 -4.586 1.00 0.00 C ATOM 405 O GLN A 30 -4.883 -1.895 -4.826 1.00 0.00 O ATOM 406 CB GLN A 30 -1.777 -1.849 -5.031 1.00 0.00 C ATOM 407 CG GLN A 30 -0.616 -1.054 -4.455 1.00 0.00 C ATOM 408 CD GLN A 30 -0.082 -0.017 -5.423 1.00 0.00 C ATOM 409 OE1 GLN A 30 -0.823 0.521 -6.246 1.00 0.00 O ATOM 410 NE2 GLN A 30 1.212 0.269 -5.330 1.00 0.00 N ATOM 0 H GLN A 30 -1.111 -3.736 -3.571 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.865 -1.692 -3.184 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.383 -2.661 -5.643 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.356 -1.204 -5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.939 -0.559 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.187 -1.738 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.789 -0.201 -4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.628 0.959 -5.956 1.00 0.00 H new ATOM 419 N ARG A 31 -4.275 -4.062 -4.843 1.00 0.00 N ATOM 420 CA ARG A 31 -5.525 -4.520 -5.437 1.00 0.00 C ATOM 421 C ARG A 31 -6.699 -4.270 -4.495 1.00 0.00 C ATOM 422 O ARG A 31 -7.783 -3.878 -4.928 1.00 0.00 O ATOM 423 CB ARG A 31 -5.438 -6.010 -5.776 1.00 0.00 C ATOM 424 CG ARG A 31 -4.380 -6.336 -6.818 1.00 0.00 C ATOM 425 CD ARG A 31 -4.463 -7.789 -7.259 1.00 0.00 C ATOM 426 NE ARG A 31 -5.535 -8.007 -8.226 1.00 0.00 N ATOM 427 CZ ARG A 31 -5.578 -9.046 -9.054 1.00 0.00 C ATOM 428 NH1 ARG A 31 -4.615 -9.957 -9.031 1.00 0.00 N ATOM 429 NH2 ARG A 31 -6.587 -9.175 -9.906 1.00 0.00 N ATOM 0 H ARG A 31 -3.603 -4.804 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.690 -3.954 -6.354 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.224 -6.569 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.409 -6.349 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.506 -5.684 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.390 -6.135 -6.409 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.512 -8.089 -7.698 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.626 -8.423 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.292 -7.325 -8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.838 -9.862 -8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.651 -10.753 -9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.330 -8.477 -9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.619 -9.972 -10.541 1.00 0.00 H new ATOM 443 N ILE A 32 -6.475 -4.501 -3.206 1.00 0.00 N ATOM 444 CA ILE A 32 -7.514 -4.299 -2.203 1.00 0.00 C ATOM 445 C ILE A 32 -7.938 -2.836 -2.137 1.00 0.00 C ATOM 446 O ILE A 32 -8.892 -2.486 -1.440 1.00 0.00 O ATOM 447 CB ILE A 32 -7.043 -4.749 -0.807 1.00 0.00 C ATOM 448 CG1 ILE A 32 -6.025 -3.756 -0.243 1.00 0.00 C ATOM 449 CG2 ILE A 32 -6.446 -6.147 -0.874 1.00 0.00 C ATOM 450 CD1 ILE A 32 -6.122 -3.577 1.255 1.00 0.00 C ATOM 0 H ILE A 32 -5.584 -4.828 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.366 -4.908 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.905 -4.775 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.020 -4.095 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.166 -2.789 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.118 -6.451 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.198 -6.847 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.593 -6.146 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.371 -2.859 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.115 -3.208 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.951 -4.534 1.748 1.00 0.00 H new ATOM 462 N HIS A 33 -7.225 -1.985 -2.868 1.00 0.00 N ATOM 463 CA HIS A 33 -7.529 -0.559 -2.894 1.00 0.00 C ATOM 464 C HIS A 33 -8.130 -0.157 -4.238 1.00 0.00 C ATOM 465 O HIS A 33 -9.059 0.649 -4.298 1.00 0.00 O ATOM 466 CB HIS A 33 -6.266 0.259 -2.622 1.00 0.00 C ATOM 467 CG HIS A 33 -5.765 0.136 -1.216 1.00 0.00 C ATOM 468 ND1 HIS A 33 -6.466 0.602 -0.123 1.00 0.00 N ATOM 469 CD2 HIS A 33 -4.626 -0.406 -0.726 1.00 0.00 C ATOM 470 CE1 HIS A 33 -5.778 0.354 0.977 1.00 0.00 C ATOM 471 NE2 HIS A 33 -4.658 -0.258 0.639 1.00 0.00 N ATOM 0 H HIS A 33 -6.433 -2.258 -3.450 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.260 -0.354 -2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.481 -0.060 -3.308 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.469 1.308 -2.836 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.838 -0.869 -1.302 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.080 0.609 1.982 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.934 -0.570 1.286 1.00 0.00 H new ATOM 479 N THR A 34 -7.593 -0.723 -5.314 1.00 0.00 N ATOM 480 CA THR A 34 -8.074 -0.422 -6.656 1.00 0.00 C ATOM 481 C THR A 34 -9.598 -0.410 -6.704 1.00 0.00 C ATOM 482 O THR A 34 -10.254 -1.250 -6.090 1.00 0.00 O ATOM 483 CB THR A 34 -7.547 -1.441 -7.684 1.00 0.00 C ATOM 484 OG1 THR A 34 -7.831 -2.773 -7.242 1.00 0.00 O ATOM 485 CG2 THR A 34 -6.049 -1.277 -7.888 1.00 0.00 C ATOM 0 H THR A 34 -6.824 -1.393 -5.282 1.00 0.00 H new ATOM 0 HA THR A 34 -7.697 0.568 -6.912 1.00 0.00 H new ATOM 0 HB THR A 34 -8.049 -1.259 -8.634 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.860 -2.793 -6.263 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.699 -2.007 -8.618 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.839 -0.271 -8.252 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.533 -1.435 -6.941 1.00 0.00 H new ATOM 493 N GLY A 35 -10.155 0.547 -7.440 1.00 0.00 N ATOM 494 CA GLY A 35 -11.598 0.649 -7.555 1.00 0.00 C ATOM 495 C GLY A 35 -12.120 0.057 -8.849 1.00 0.00 C ATOM 496 O GLY A 35 -12.642 0.775 -9.701 1.00 0.00 O ATOM 0 H GLY A 35 -9.633 1.253 -7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.063 0.139 -6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.891 1.697 -7.494 1.00 0.00 H new ATOM 500 N GLU A 36 -11.977 -1.257 -8.997 1.00 0.00 N ATOM 501 CA GLU A 36 -12.436 -1.944 -10.199 1.00 0.00 C ATOM 502 C GLU A 36 -13.367 -3.100 -9.842 1.00 0.00 C ATOM 503 O GLU A 36 -14.545 -3.097 -10.200 1.00 0.00 O ATOM 504 CB GLU A 36 -11.243 -2.464 -11.003 1.00 0.00 C ATOM 505 CG GLU A 36 -11.525 -2.602 -12.490 1.00 0.00 C ATOM 506 CD GLU A 36 -10.673 -3.670 -13.148 1.00 0.00 C ATOM 507 OE1 GLU A 36 -9.431 -3.543 -13.114 1.00 0.00 O ATOM 508 OE2 GLU A 36 -11.249 -4.632 -13.697 1.00 0.00 O ATOM 0 H GLU A 36 -11.548 -1.866 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.990 -1.229 -10.807 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.399 -1.789 -10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.944 -3.434 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.578 -2.842 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.345 -1.645 -12.981 1.00 0.00 H new ATOM 515 N LYS A 37 -12.829 -4.088 -9.135 1.00 0.00 N ATOM 516 CA LYS A 37 -13.609 -5.251 -8.729 1.00 0.00 C ATOM 517 C LYS A 37 -15.042 -4.854 -8.391 1.00 0.00 C ATOM 518 O LYS A 37 -15.993 -5.534 -8.778 1.00 0.00 O ATOM 519 CB LYS A 37 -12.958 -5.930 -7.521 1.00 0.00 C ATOM 520 CG LYS A 37 -13.521 -7.309 -7.223 1.00 0.00 C ATOM 521 CD LYS A 37 -14.718 -7.233 -6.290 1.00 0.00 C ATOM 522 CE LYS A 37 -15.238 -8.618 -5.937 1.00 0.00 C ATOM 523 NZ LYS A 37 -14.381 -9.291 -4.922 1.00 0.00 N ATOM 0 H LYS A 37 -11.855 -4.106 -8.831 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.632 -5.952 -9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.886 -6.015 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.089 -5.296 -6.644 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.815 -7.792 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.746 -7.930 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.437 -6.705 -5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.512 -6.654 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.256 -8.537 -5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.282 -9.230 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.769 -10.232 -4.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.415 -9.391 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.359 -8.720 -4.053 1.00 0.00 H new ATOM 537 N LEU A 38 -15.190 -3.749 -7.668 1.00 0.00 N ATOM 538 CA LEU A 38 -16.509 -3.260 -7.279 1.00 0.00 C ATOM 539 C LEU A 38 -17.518 -3.460 -8.406 1.00 0.00 C ATOM 540 O LEU A 38 -17.233 -3.165 -9.566 1.00 0.00 O ATOM 541 CB LEU A 38 -16.435 -1.780 -6.902 1.00 0.00 C ATOM 542 CG LEU A 38 -17.591 -1.244 -6.057 1.00 0.00 C ATOM 543 CD1 LEU A 38 -17.128 -0.079 -5.196 1.00 0.00 C ATOM 544 CD2 LEU A 38 -18.751 -0.823 -6.947 1.00 0.00 C ATOM 0 H LEU A 38 -14.414 -3.175 -7.339 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.841 -3.833 -6.413 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.505 -1.610 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.380 -1.194 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.935 -2.042 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.964 0.289 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.330 -0.412 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.757 0.722 -5.836 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.565 -0.444 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -18.420 -0.041 -7.630 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -19.100 -1.682 -7.520 1.00 0.00 H new ATOM 556 N SER A 39 -18.698 -3.960 -8.054 1.00 0.00 N ATOM 557 CA SER A 39 -19.749 -4.200 -9.036 1.00 0.00 C ATOM 558 C SER A 39 -20.265 -2.885 -9.613 1.00 0.00 C ATOM 559 O SER A 39 -21.116 -2.225 -9.019 1.00 0.00 O ATOM 560 CB SER A 39 -20.903 -4.978 -8.400 1.00 0.00 C ATOM 561 OG SER A 39 -21.472 -4.255 -7.322 1.00 0.00 O ATOM 0 H SER A 39 -18.950 -4.207 -7.097 1.00 0.00 H new ATOM 0 HA SER A 39 -19.325 -4.791 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.667 -5.179 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 39 -20.543 -5.943 -8.045 1.00 0.00 H new ATOM 0 HG SER A 39 -21.518 -3.304 -7.554 1.00 0.00 H new ATOM 567 N GLY A 40 -19.740 -2.510 -10.776 1.00 0.00 N ATOM 568 CA GLY A 40 -20.158 -1.276 -11.415 1.00 0.00 C ATOM 569 C GLY A 40 -20.713 -1.502 -12.807 1.00 0.00 C ATOM 570 O GLY A 40 -20.502 -2.550 -13.419 1.00 0.00 O ATOM 0 H GLY A 40 -19.033 -3.039 -11.287 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.916 -0.791 -10.800 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -19.309 -0.595 -11.472 1.00 0.00 H new ATOM 574 N PRO A 41 -21.441 -0.504 -13.328 1.00 0.00 N ATOM 575 CA PRO A 41 -22.043 -0.576 -14.663 1.00 0.00 C ATOM 576 C PRO A 41 -20.999 -0.525 -15.773 1.00 0.00 C ATOM 577 O PRO A 41 -20.698 0.542 -16.307 1.00 0.00 O ATOM 578 CB PRO A 41 -22.939 0.664 -14.715 1.00 0.00 C ATOM 579 CG PRO A 41 -22.324 1.617 -13.749 1.00 0.00 C ATOM 580 CD PRO A 41 -21.732 0.773 -12.655 1.00 0.00 C ATOM 0 HA PRO A 41 -22.578 -1.513 -14.819 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -22.973 1.086 -15.720 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -23.965 0.423 -14.435 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -21.558 2.223 -14.233 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -23.070 2.305 -13.351 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -20.830 1.225 -12.243 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -22.429 0.641 -11.827 1.00 0.00 H new ATOM 588 N SER A 42 -20.451 -1.686 -16.117 1.00 0.00 N ATOM 589 CA SER A 42 -19.438 -1.774 -17.162 1.00 0.00 C ATOM 590 C SER A 42 -19.971 -1.225 -18.482 1.00 0.00 C ATOM 591 O SER A 42 -19.294 -0.457 -19.167 1.00 0.00 O ATOM 592 CB SER A 42 -18.987 -3.224 -17.345 1.00 0.00 C ATOM 593 OG SER A 42 -18.527 -3.773 -16.122 1.00 0.00 O ATOM 0 H SER A 42 -20.692 -2.579 -15.687 1.00 0.00 H new ATOM 0 HA SER A 42 -18.583 -1.171 -16.856 1.00 0.00 H new ATOM 0 HB2 SER A 42 -19.816 -3.821 -17.726 1.00 0.00 H new ATOM 0 HB3 SER A 42 -18.192 -3.270 -18.090 1.00 0.00 H new ATOM 0 HG SER A 42 -18.246 -4.701 -16.265 1.00 0.00 H new ATOM 599 N SER A 43 -21.189 -1.624 -18.833 1.00 0.00 N ATOM 600 CA SER A 43 -21.813 -1.177 -20.073 1.00 0.00 C ATOM 601 C SER A 43 -20.822 -1.235 -21.232 1.00 0.00 C ATOM 602 O SER A 43 -20.764 -0.327 -22.060 1.00 0.00 O ATOM 603 CB SER A 43 -22.346 0.248 -19.914 1.00 0.00 C ATOM 604 OG SER A 43 -23.496 0.273 -19.087 1.00 0.00 O ATOM 0 H SER A 43 -21.764 -2.256 -18.276 1.00 0.00 H new ATOM 0 HA SER A 43 -22.644 -1.846 -20.295 1.00 0.00 H new ATOM 0 HB2 SER A 43 -21.572 0.883 -19.485 1.00 0.00 H new ATOM 0 HB3 SER A 43 -22.589 0.660 -20.893 1.00 0.00 H new ATOM 0 HG SER A 43 -23.816 1.195 -19.000 1.00 0.00 H new ATOM 610 N GLY A 44 -20.042 -2.310 -21.282 1.00 0.00 N ATOM 611 CA GLY A 44 -19.063 -2.468 -22.342 1.00 0.00 C ATOM 612 C GLY A 44 -17.872 -3.302 -21.912 1.00 0.00 C ATOM 613 O GLY A 44 -16.799 -3.158 -22.495 1.00 0.00 O ATOM 0 H GLY A 44 -20.070 -3.075 -20.607 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -19.538 -2.936 -23.204 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.718 -1.485 -22.663 1.00 0.00 H new TER 617 GLY A 44 HETATM 618 ZN ZN A 201 -2.386 -0.081 1.132 1.00 0.00 ZN