USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 495 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 Set 1.1: A 47 SER OG : rot 180:sc= -0.0899 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 10 TYR OH : rot 70:sc= 0.048 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.0503 X(o=0.098,f=0) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0887 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.153 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 16 TYR OH : rot 146:sc= 0.582 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -2.32 F(o=-4.3!,f=-2.3) USER MOD Single : A 35 MET CE :methyl 174:sc= 0 (180deg=-0.0483) USER MOD Single : A 36 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.2) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0757 K(o=-0.076,f=-0.7) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 23:sc= -0.134 USER MOD Single : A 59 ASN : amide:sc= -0.405 X(o=-0.4,f=-0.08) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -58:sc= 0.00443 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.949 -6.116 19.974 1.00 0.00 N ATOM 2 CA GLY A 1 -17.708 -4.934 19.612 1.00 0.00 C ATOM 3 C GLY A 1 -18.843 -5.244 18.656 1.00 0.00 C ATOM 4 O GLY A 1 -19.220 -6.403 18.484 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.838 -6.154 21.007 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.453 -6.965 19.648 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.011 -6.077 19.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.112 -4.475 20.514 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.041 -4.204 19.154 1.00 0.00 H new ATOM 8 N SER A 2 -19.389 -4.205 18.032 1.00 0.00 N ATOM 9 CA SER A 2 -20.492 -4.371 17.093 1.00 0.00 C ATOM 10 C SER A 2 -20.025 -5.089 15.830 1.00 0.00 C ATOM 11 O SER A 2 -20.640 -6.062 15.392 1.00 0.00 O ATOM 12 CB SER A 2 -21.089 -3.011 16.728 1.00 0.00 C ATOM 13 OG SER A 2 -20.132 -2.190 16.082 1.00 0.00 O ATOM 0 H SER A 2 -19.085 -3.240 18.160 1.00 0.00 H new ATOM 0 HA SER A 2 -21.258 -4.978 17.575 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.951 -3.152 16.076 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.449 -2.515 17.629 1.00 0.00 H new ATOM 0 HG SER A 2 -20.539 -1.327 15.858 1.00 0.00 H new ATOM 19 N SER A 3 -18.934 -4.602 15.249 1.00 0.00 N ATOM 20 CA SER A 3 -18.386 -5.194 14.034 1.00 0.00 C ATOM 21 C SER A 3 -16.861 -5.133 14.040 1.00 0.00 C ATOM 22 O SER A 3 -16.263 -4.340 14.766 1.00 0.00 O ATOM 23 CB SER A 3 -18.931 -4.473 12.799 1.00 0.00 C ATOM 24 OG SER A 3 -18.762 -5.260 11.633 1.00 0.00 O ATOM 0 H SER A 3 -18.412 -3.799 15.600 1.00 0.00 H new ATOM 0 HA SER A 3 -18.691 -6.240 14.000 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.989 -4.250 12.941 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.418 -3.519 12.675 1.00 0.00 H new ATOM 0 HG SER A 3 -19.120 -4.778 10.858 1.00 0.00 H new ATOM 30 N GLY A 4 -16.238 -5.978 13.224 1.00 0.00 N ATOM 31 CA GLY A 4 -14.789 -6.005 13.150 1.00 0.00 C ATOM 32 C GLY A 4 -14.275 -5.760 11.745 1.00 0.00 C ATOM 33 O GLY A 4 -14.007 -6.703 11.001 1.00 0.00 O ATOM 0 H GLY A 4 -16.711 -6.644 12.613 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.380 -5.249 13.820 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.428 -6.971 13.502 1.00 0.00 H new ATOM 37 N SER A 5 -14.139 -4.489 11.380 1.00 0.00 N ATOM 38 CA SER A 5 -13.660 -4.122 10.053 1.00 0.00 C ATOM 39 C SER A 5 -12.136 -4.162 9.996 1.00 0.00 C ATOM 40 O SER A 5 -11.457 -3.693 10.909 1.00 0.00 O ATOM 41 CB SER A 5 -14.159 -2.726 9.675 1.00 0.00 C ATOM 42 OG SER A 5 -13.629 -2.315 8.427 1.00 0.00 O ATOM 0 H SER A 5 -14.354 -3.696 11.985 1.00 0.00 H new ATOM 0 HA SER A 5 -14.053 -4.846 9.339 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.248 -2.726 9.629 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.873 -2.013 10.448 1.00 0.00 H new ATOM 0 HG SER A 5 -13.964 -1.421 8.208 1.00 0.00 H new ATOM 48 N SER A 6 -11.605 -4.726 8.915 1.00 0.00 N ATOM 49 CA SER A 6 -10.161 -4.832 8.739 1.00 0.00 C ATOM 50 C SER A 6 -9.814 -5.177 7.294 1.00 0.00 C ATOM 51 O SER A 6 -10.163 -6.247 6.798 1.00 0.00 O ATOM 52 CB SER A 6 -9.588 -5.893 9.680 1.00 0.00 C ATOM 53 OG SER A 6 -8.303 -6.311 9.255 1.00 0.00 O ATOM 0 H SER A 6 -12.153 -5.116 8.148 1.00 0.00 H new ATOM 0 HA SER A 6 -9.718 -3.866 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.527 -5.492 10.692 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.259 -6.751 9.717 1.00 0.00 H new ATOM 0 HG SER A 6 -7.958 -6.988 9.874 1.00 0.00 H new ATOM 59 N GLY A 7 -9.125 -4.259 6.622 1.00 0.00 N ATOM 60 CA GLY A 7 -8.742 -4.483 5.241 1.00 0.00 C ATOM 61 C GLY A 7 -7.886 -5.723 5.070 1.00 0.00 C ATOM 62 O GLY A 7 -7.858 -6.593 5.942 1.00 0.00 O ATOM 0 H GLY A 7 -8.826 -3.364 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.639 -4.577 4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.195 -3.615 4.873 1.00 0.00 H new ATOM 66 N THR A 8 -7.186 -5.807 3.943 1.00 0.00 N ATOM 67 CA THR A 8 -6.328 -6.950 3.659 1.00 0.00 C ATOM 68 C THR A 8 -4.878 -6.653 4.024 1.00 0.00 C ATOM 69 O THR A 8 -4.351 -5.576 3.745 1.00 0.00 O ATOM 70 CB THR A 8 -6.400 -7.352 2.174 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.767 -7.449 1.758 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.698 -8.681 1.938 1.00 0.00 C ATOM 0 H THR A 8 -7.197 -5.096 3.212 1.00 0.00 H new ATOM 0 HA THR A 8 -6.691 -7.777 4.269 1.00 0.00 H new ATOM 0 HB THR A 8 -5.896 -6.584 1.588 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.804 -7.703 0.812 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.762 -8.944 0.882 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.651 -8.596 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.178 -9.457 2.535 1.00 0.00 H new ATOM 80 N PRO A 9 -4.216 -7.630 4.662 1.00 0.00 N ATOM 81 CA PRO A 9 -2.816 -7.496 5.077 1.00 0.00 C ATOM 82 C PRO A 9 -1.858 -7.487 3.891 1.00 0.00 C ATOM 83 O PRO A 9 -2.008 -8.271 2.953 1.00 0.00 O ATOM 84 CB PRO A 9 -2.584 -8.737 5.944 1.00 0.00 C ATOM 85 CG PRO A 9 -3.578 -9.732 5.455 1.00 0.00 C ATOM 86 CD PRO A 9 -4.782 -8.939 5.027 1.00 0.00 C ATOM 0 HA PRO A 9 -2.632 -6.556 5.597 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.565 -9.110 5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.733 -8.515 7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.175 -10.309 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.838 -10.442 6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.292 -9.406 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.512 -8.851 5.832 1.00 0.00 H new ATOM 94 N TYR A 10 -0.873 -6.597 3.939 1.00 0.00 N ATOM 95 CA TYR A 10 0.109 -6.486 2.867 1.00 0.00 C ATOM 96 C TYR A 10 1.501 -6.213 3.430 1.00 0.00 C ATOM 97 O TYR A 10 1.666 -5.997 4.631 1.00 0.00 O ATOM 98 CB TYR A 10 -0.289 -5.372 1.897 1.00 0.00 C ATOM 99 CG TYR A 10 -1.198 -5.836 0.782 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.532 -6.139 1.028 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.724 -5.974 -0.516 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.367 -6.564 0.012 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.552 -6.397 -1.538 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.872 -6.691 -1.269 1.00 0.00 C ATOM 105 OH TYR A 10 -3.699 -7.114 -2.284 1.00 0.00 O ATOM 0 H TYR A 10 -0.733 -5.942 4.709 1.00 0.00 H new ATOM 0 HA TYR A 10 0.134 -7.434 2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.787 -4.578 2.454 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.613 -4.940 1.463 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.923 -6.041 2.030 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.310 -5.747 -0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.401 -6.795 0.220 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.167 -6.497 -2.542 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.353 -6.413 -2.486 1.00 0.00 H new ATOM 115 N ARG A 11 2.499 -6.224 2.552 1.00 0.00 N ATOM 116 CA ARG A 11 3.877 -5.978 2.960 1.00 0.00 C ATOM 117 C ARG A 11 4.612 -5.143 1.916 1.00 0.00 C ATOM 118 O ARG A 11 4.590 -5.459 0.726 1.00 0.00 O ATOM 119 CB ARG A 11 4.611 -7.303 3.178 1.00 0.00 C ATOM 120 CG ARG A 11 6.090 -7.136 3.484 1.00 0.00 C ATOM 121 CD ARG A 11 6.806 -8.477 3.516 1.00 0.00 C ATOM 122 NE ARG A 11 6.701 -9.184 2.242 1.00 0.00 N ATOM 123 CZ ARG A 11 5.679 -9.968 1.919 1.00 0.00 C ATOM 124 NH1 ARG A 11 4.678 -10.143 2.772 1.00 0.00 N ATOM 125 NH2 ARG A 11 5.655 -10.577 0.741 1.00 0.00 N ATOM 0 H ARG A 11 2.379 -6.400 1.555 1.00 0.00 H new ATOM 0 HA ARG A 11 3.858 -5.422 3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.137 -7.840 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.500 -7.921 2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.549 -6.495 2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.210 -6.635 4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.857 -8.321 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.384 -9.094 4.309 1.00 0.00 H new ATOM 0 HE ARG A 11 7.454 -9.069 1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.692 -9.675 3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.894 -10.746 2.522 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.422 -10.443 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.869 -11.179 0.494 1.00 0.00 H new ATOM 139 N ALA A 12 5.261 -4.076 2.369 1.00 0.00 N ATOM 140 CA ALA A 12 6.004 -3.196 1.475 1.00 0.00 C ATOM 141 C ALA A 12 7.376 -3.777 1.148 1.00 0.00 C ATOM 142 O ALA A 12 8.303 -3.693 1.952 1.00 0.00 O ATOM 143 CB ALA A 12 6.148 -1.814 2.094 1.00 0.00 C ATOM 0 H ALA A 12 5.287 -3.800 3.350 1.00 0.00 H new ATOM 0 HA ALA A 12 5.444 -3.108 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.705 -1.168 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.160 -1.390 2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.683 -1.893 3.040 1.00 0.00 H new ATOM 149 N MET A 13 7.496 -4.366 -0.037 1.00 0.00 N ATOM 150 CA MET A 13 8.755 -4.961 -0.470 1.00 0.00 C ATOM 151 C MET A 13 9.881 -3.931 -0.442 1.00 0.00 C ATOM 152 O MET A 13 11.031 -4.263 -0.156 1.00 0.00 O ATOM 153 CB MET A 13 8.613 -5.539 -1.879 1.00 0.00 C ATOM 154 CG MET A 13 7.463 -6.524 -2.019 1.00 0.00 C ATOM 155 SD MET A 13 7.714 -7.699 -3.363 1.00 0.00 S ATOM 156 CE MET A 13 6.792 -6.908 -4.680 1.00 0.00 C ATOM 0 H MET A 13 6.737 -4.444 -0.714 1.00 0.00 H new ATOM 0 HA MET A 13 9.004 -5.766 0.222 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.468 -4.721 -2.585 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.543 -6.037 -2.154 1.00 0.00 H new ATOM 0 HG2 MET A 13 7.341 -7.069 -1.083 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.538 -5.974 -2.191 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.852 -7.516 -5.582 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.749 -6.803 -4.382 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.213 -5.923 -4.878 1.00 0.00 H new ATOM 166 N TYR A 14 9.541 -2.682 -0.740 1.00 0.00 N ATOM 167 CA TYR A 14 10.524 -1.605 -0.751 1.00 0.00 C ATOM 168 C TYR A 14 9.946 -0.335 -0.135 1.00 0.00 C ATOM 169 O TYR A 14 8.732 -0.201 0.015 1.00 0.00 O ATOM 170 CB TYR A 14 10.988 -1.325 -2.181 1.00 0.00 C ATOM 171 CG TYR A 14 11.007 -2.554 -3.063 1.00 0.00 C ATOM 172 CD1 TYR A 14 12.086 -3.430 -3.045 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.947 -2.838 -3.915 1.00 0.00 C ATOM 174 CE1 TYR A 14 12.108 -4.553 -3.849 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.960 -3.959 -4.722 1.00 0.00 C ATOM 176 CZ TYR A 14 11.042 -4.813 -4.685 1.00 0.00 C ATOM 177 OH TYR A 14 11.059 -5.931 -5.488 1.00 0.00 O ATOM 0 H TYR A 14 8.593 -2.390 -0.977 1.00 0.00 H new ATOM 0 HA TYR A 14 11.379 -1.921 -0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.332 -0.578 -2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.989 -0.894 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.922 -3.229 -2.391 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.098 -2.171 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.954 -5.223 -3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.127 -4.165 -5.378 1.00 0.00 H new ATOM 0 HH TYR A 14 10.233 -5.968 -6.015 1.00 0.00 H new ATOM 187 N GLN A 15 10.827 0.596 0.220 1.00 0.00 N ATOM 188 CA GLN A 15 10.405 1.856 0.821 1.00 0.00 C ATOM 189 C GLN A 15 9.948 2.843 -0.248 1.00 0.00 C ATOM 190 O GLN A 15 10.523 2.906 -1.335 1.00 0.00 O ATOM 191 CB GLN A 15 11.547 2.463 1.637 1.00 0.00 C ATOM 192 CG GLN A 15 11.186 3.781 2.303 1.00 0.00 C ATOM 193 CD GLN A 15 12.169 4.177 3.386 1.00 0.00 C ATOM 194 OE1 GLN A 15 13.269 3.631 3.472 1.00 0.00 O ATOM 195 NE2 GLN A 15 11.778 5.133 4.221 1.00 0.00 N ATOM 0 H GLN A 15 11.836 0.501 0.102 1.00 0.00 H new ATOM 0 HA GLN A 15 9.564 1.650 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.854 1.751 2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.406 2.619 0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.147 4.566 1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.188 3.704 2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.857 5.559 4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.398 5.441 4.970 1.00 0.00 H new ATOM 204 N TYR A 16 8.911 3.610 0.067 1.00 0.00 N ATOM 205 CA TYR A 16 8.374 4.592 -0.869 1.00 0.00 C ATOM 206 C TYR A 16 8.435 5.997 -0.277 1.00 0.00 C ATOM 207 O TYR A 16 8.361 6.174 0.939 1.00 0.00 O ATOM 208 CB TYR A 16 6.931 4.242 -1.235 1.00 0.00 C ATOM 209 CG TYR A 16 6.289 5.234 -2.179 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.666 5.297 -3.515 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.304 6.108 -1.735 1.00 0.00 C ATOM 212 CE1 TYR A 16 6.083 6.202 -4.380 1.00 0.00 C ATOM 213 CE2 TYR A 16 4.714 7.016 -2.593 1.00 0.00 C ATOM 214 CZ TYR A 16 5.107 7.059 -3.914 1.00 0.00 C ATOM 215 OH TYR A 16 4.523 7.961 -4.774 1.00 0.00 O ATOM 0 H TYR A 16 8.425 3.571 0.963 1.00 0.00 H new ATOM 0 HA TYR A 16 8.985 4.570 -1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.910 3.253 -1.692 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.337 4.184 -0.323 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.428 4.626 -3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.994 6.077 -0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.389 6.239 -5.415 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.950 7.688 -2.231 1.00 0.00 H new ATOM 0 HH TYR A 16 3.583 8.087 -4.527 1.00 0.00 H new ATOM 225 N ARG A 17 8.569 6.992 -1.147 1.00 0.00 N ATOM 226 CA ARG A 17 8.640 8.382 -0.713 1.00 0.00 C ATOM 227 C ARG A 17 7.521 9.206 -1.342 1.00 0.00 C ATOM 228 O ARG A 17 7.674 9.791 -2.415 1.00 0.00 O ATOM 229 CB ARG A 17 9.998 8.984 -1.078 1.00 0.00 C ATOM 230 CG ARG A 17 11.118 8.578 -0.135 1.00 0.00 C ATOM 231 CD ARG A 17 12.362 9.428 -0.347 1.00 0.00 C ATOM 232 NE ARG A 17 13.545 8.828 0.263 1.00 0.00 N ATOM 233 CZ ARG A 17 14.788 9.197 -0.027 1.00 0.00 C ATOM 234 NH1 ARG A 17 15.008 10.159 -0.911 1.00 0.00 N ATOM 235 NH2 ARG A 17 15.814 8.603 0.570 1.00 0.00 N ATOM 0 H ARG A 17 8.631 6.862 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 17 8.520 8.404 0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.260 8.680 -2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.915 10.071 -1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.780 8.677 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.363 7.527 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.533 9.561 -1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.200 10.420 0.075 1.00 0.00 H new ATOM 0 HE ARG A 17 13.410 8.085 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.222 10.618 -1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.963 10.440 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.648 7.863 1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.768 8.887 0.347 1.00 0.00 H new ATOM 249 N PRO A 18 6.366 9.254 -0.661 1.00 0.00 N ATOM 250 CA PRO A 18 5.198 10.004 -1.134 1.00 0.00 C ATOM 251 C PRO A 18 5.413 11.512 -1.070 1.00 0.00 C ATOM 252 O PRO A 18 5.505 12.089 0.013 1.00 0.00 O ATOM 253 CB PRO A 18 4.090 9.580 -0.168 1.00 0.00 C ATOM 254 CG PRO A 18 4.805 9.172 1.074 1.00 0.00 C ATOM 255 CD PRO A 18 6.112 8.582 0.624 1.00 0.00 C ATOM 0 HA PRO A 18 4.974 9.793 -2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.398 10.400 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.503 8.757 -0.576 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.968 10.028 1.729 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.222 8.444 1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.908 8.775 1.343 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.045 7.501 0.505 1.00 0.00 H new ATOM 263 N GLN A 19 5.490 12.144 -2.236 1.00 0.00 N ATOM 264 CA GLN A 19 5.694 13.586 -2.311 1.00 0.00 C ATOM 265 C GLN A 19 4.376 14.332 -2.131 1.00 0.00 C ATOM 266 O GLN A 19 4.312 15.549 -2.300 1.00 0.00 O ATOM 267 CB GLN A 19 6.328 13.964 -3.651 1.00 0.00 C ATOM 268 CG GLN A 19 7.836 13.773 -3.685 1.00 0.00 C ATOM 269 CD GLN A 19 8.589 14.982 -3.168 1.00 0.00 C ATOM 270 OE1 GLN A 19 8.786 15.961 -3.889 1.00 0.00 O ATOM 271 NE2 GLN A 19 9.016 14.921 -1.912 1.00 0.00 N ATOM 0 H GLN A 19 5.414 11.681 -3.142 1.00 0.00 H new ATOM 0 HA GLN A 19 6.368 13.875 -1.504 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.876 13.363 -4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.097 15.006 -3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.102 12.901 -3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.149 13.565 -4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.831 14.090 -1.350 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.529 15.705 -1.509 1.00 0.00 H new ATOM 280 N ASN A 20 3.325 13.593 -1.788 1.00 0.00 N ATOM 281 CA ASN A 20 2.008 14.185 -1.586 1.00 0.00 C ATOM 282 C ASN A 20 1.284 13.517 -0.421 1.00 0.00 C ATOM 283 O ASN A 20 1.487 12.335 -0.148 1.00 0.00 O ATOM 284 CB ASN A 20 1.169 14.061 -2.860 1.00 0.00 C ATOM 285 CG ASN A 20 -0.051 14.962 -2.839 1.00 0.00 C ATOM 286 OD1 ASN A 20 -1.193 14.420 -3.247 1.00 0.00 O flip ATOM 287 ND2 ASN A 20 0.033 16.130 -2.460 1.00 0.00 N flip ATOM 0 H ASN A 20 3.360 12.584 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 20 2.144 15.240 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.786 14.309 -3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.851 13.026 -2.983 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.932 16.504 -2.155 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.796 16.724 -2.451 1.00 0.00 H new ATOM 294 N GLU A 21 0.440 14.284 0.263 1.00 0.00 N ATOM 295 CA GLU A 21 -0.313 13.766 1.399 1.00 0.00 C ATOM 296 C GLU A 21 -1.287 12.678 0.955 1.00 0.00 C ATOM 297 O GLU A 21 -1.566 11.738 1.700 1.00 0.00 O ATOM 298 CB GLU A 21 -1.076 14.897 2.092 1.00 0.00 C ATOM 299 CG GLU A 21 -2.098 15.579 1.198 1.00 0.00 C ATOM 300 CD GLU A 21 -2.806 16.727 1.891 1.00 0.00 C ATOM 301 OE1 GLU A 21 -3.278 16.530 3.030 1.00 0.00 O ATOM 302 OE2 GLU A 21 -2.887 17.821 1.295 1.00 0.00 O ATOM 0 H GLU A 21 0.261 15.265 0.050 1.00 0.00 H new ATOM 0 HA GLU A 21 0.395 13.330 2.104 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.583 14.497 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.363 15.641 2.447 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.601 15.951 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.836 14.846 0.871 1.00 0.00 H new ATOM 309 N ASP A 22 -1.801 12.813 -0.262 1.00 0.00 N ATOM 310 CA ASP A 22 -2.743 11.842 -0.806 1.00 0.00 C ATOM 311 C ASP A 22 -2.102 10.462 -0.911 1.00 0.00 C ATOM 312 O ASP A 22 -2.796 9.447 -0.965 1.00 0.00 O ATOM 313 CB ASP A 22 -3.237 12.294 -2.182 1.00 0.00 C ATOM 314 CG ASP A 22 -3.678 13.744 -2.191 1.00 0.00 C ATOM 315 OD1 ASP A 22 -2.988 14.579 -1.568 1.00 0.00 O ATOM 316 OD2 ASP A 22 -4.713 14.046 -2.821 1.00 0.00 O ATOM 0 H ASP A 22 -1.581 13.585 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.593 11.777 -0.126 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.442 12.155 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.069 11.662 -2.492 1.00 0.00 H new ATOM 321 N GLU A 23 -0.773 10.433 -0.939 1.00 0.00 N ATOM 322 CA GLU A 23 -0.039 9.177 -1.039 1.00 0.00 C ATOM 323 C GLU A 23 0.431 8.710 0.336 1.00 0.00 C ATOM 324 O GLU A 23 0.754 9.523 1.203 1.00 0.00 O ATOM 325 CB GLU A 23 1.162 9.335 -1.974 1.00 0.00 C ATOM 326 CG GLU A 23 0.824 10.018 -3.289 1.00 0.00 C ATOM 327 CD GLU A 23 2.008 10.082 -4.234 1.00 0.00 C ATOM 328 OE1 GLU A 23 2.848 10.992 -4.070 1.00 0.00 O ATOM 329 OE2 GLU A 23 2.094 9.224 -5.137 1.00 0.00 O ATOM 0 H GLU A 23 -0.183 11.264 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.713 8.424 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.936 9.909 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.581 8.351 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.007 9.483 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.469 11.029 -3.088 1.00 0.00 H new ATOM 336 N LEU A 24 0.465 7.396 0.528 1.00 0.00 N ATOM 337 CA LEU A 24 0.895 6.820 1.798 1.00 0.00 C ATOM 338 C LEU A 24 2.362 6.404 1.738 1.00 0.00 C ATOM 339 O LEU A 24 2.847 5.955 0.701 1.00 0.00 O ATOM 340 CB LEU A 24 0.025 5.613 2.153 1.00 0.00 C ATOM 341 CG LEU A 24 0.049 5.176 3.618 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.617 6.223 4.498 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.634 3.826 3.783 1.00 0.00 C ATOM 0 H LEU A 24 0.200 6.710 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 24 0.783 7.581 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.005 5.840 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.340 4.770 1.538 1.00 0.00 H new ATOM 0 HG LEU A 24 1.088 5.076 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.591 5.895 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.085 7.170 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.653 6.355 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.608 3.531 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.670 3.900 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.114 3.079 3.183 1.00 0.00 H new ATOM 355 N GLU A 25 3.060 6.555 2.859 1.00 0.00 N ATOM 356 CA GLU A 25 4.471 6.194 2.934 1.00 0.00 C ATOM 357 C GLU A 25 4.636 4.720 3.293 1.00 0.00 C ATOM 358 O GLU A 25 3.825 4.153 4.026 1.00 0.00 O ATOM 359 CB GLU A 25 5.190 7.066 3.966 1.00 0.00 C ATOM 360 CG GLU A 25 6.692 7.149 3.751 1.00 0.00 C ATOM 361 CD GLU A 25 7.340 8.239 4.582 1.00 0.00 C ATOM 362 OE1 GLU A 25 7.383 8.096 5.821 1.00 0.00 O ATOM 363 OE2 GLU A 25 7.804 9.237 3.991 1.00 0.00 O ATOM 0 H GLU A 25 2.672 6.924 3.727 1.00 0.00 H new ATOM 0 HA GLU A 25 4.916 6.364 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.771 8.072 3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.995 6.670 4.963 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.145 6.189 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.895 7.332 2.696 1.00 0.00 H new ATOM 370 N LEU A 26 5.693 4.105 2.772 1.00 0.00 N ATOM 371 CA LEU A 26 5.966 2.697 3.037 1.00 0.00 C ATOM 372 C LEU A 26 7.397 2.503 3.527 1.00 0.00 C ATOM 373 O LEU A 26 8.181 3.451 3.576 1.00 0.00 O ATOM 374 CB LEU A 26 5.730 1.865 1.775 1.00 0.00 C ATOM 375 CG LEU A 26 4.316 1.915 1.193 1.00 0.00 C ATOM 376 CD1 LEU A 26 4.277 1.246 -0.172 1.00 0.00 C ATOM 377 CD2 LEU A 26 3.326 1.255 2.142 1.00 0.00 C ATOM 0 H LEU A 26 6.374 4.559 2.164 1.00 0.00 H new ATOM 0 HA LEU A 26 5.285 2.361 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.429 2.198 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.973 0.826 1.998 1.00 0.00 H new ATOM 0 HG LEU A 26 4.030 2.960 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.263 1.291 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.957 1.762 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.583 0.204 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.325 1.299 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.609 0.214 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.334 1.779 3.098 1.00 0.00 H new ATOM 389 N ARG A 27 7.732 1.268 3.887 1.00 0.00 N ATOM 390 CA ARG A 27 9.069 0.949 4.372 1.00 0.00 C ATOM 391 C ARG A 27 9.427 -0.502 4.066 1.00 0.00 C ATOM 392 O ARG A 27 8.644 -1.413 4.332 1.00 0.00 O ATOM 393 CB ARG A 27 9.163 1.202 5.878 1.00 0.00 C ATOM 394 CG ARG A 27 10.497 0.798 6.482 1.00 0.00 C ATOM 395 CD ARG A 27 10.613 1.248 7.929 1.00 0.00 C ATOM 396 NE ARG A 27 11.825 0.740 8.566 1.00 0.00 N ATOM 397 CZ ARG A 27 13.047 1.168 8.266 1.00 0.00 C ATOM 398 NH1 ARG A 27 13.217 2.106 7.346 1.00 0.00 N ATOM 399 NH2 ARG A 27 14.101 0.656 8.889 1.00 0.00 N ATOM 0 H ARG A 27 7.095 0.472 3.852 1.00 0.00 H new ATOM 0 HA ARG A 27 9.779 1.597 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.992 2.261 6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.366 0.654 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.610 -0.285 6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.308 1.233 5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.611 2.337 7.971 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.741 0.906 8.486 1.00 0.00 H new ATOM 0 HE ARG A 27 11.728 0.018 9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.409 2.502 6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.156 2.432 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.973 -0.066 9.598 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.039 0.984 8.659 1.00 0.00 H new ATOM 413 N GLU A 28 10.614 -0.708 3.504 1.00 0.00 N ATOM 414 CA GLU A 28 11.074 -2.049 3.161 1.00 0.00 C ATOM 415 C GLU A 28 10.945 -2.990 4.355 1.00 0.00 C ATOM 416 O GLU A 28 11.715 -2.907 5.311 1.00 0.00 O ATOM 417 CB GLU A 28 12.528 -2.007 2.685 1.00 0.00 C ATOM 418 CG GLU A 28 13.064 -3.359 2.246 1.00 0.00 C ATOM 419 CD GLU A 28 14.565 -3.476 2.420 1.00 0.00 C ATOM 420 OE1 GLU A 28 15.014 -3.723 3.559 1.00 0.00 O ATOM 421 OE2 GLU A 28 15.292 -3.321 1.416 1.00 0.00 O ATOM 0 H GLU A 28 11.274 0.036 3.277 1.00 0.00 H new ATOM 0 HA GLU A 28 10.446 -2.426 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.609 -1.306 1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.154 -1.621 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.573 -4.144 2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.809 -3.524 1.199 1.00 0.00 H new ATOM 428 N GLY A 29 9.965 -3.886 4.292 1.00 0.00 N ATOM 429 CA GLY A 29 9.751 -4.830 5.373 1.00 0.00 C ATOM 430 C GLY A 29 8.729 -4.339 6.379 1.00 0.00 C ATOM 431 O GLY A 29 8.895 -4.523 7.585 1.00 0.00 O ATOM 0 H GLY A 29 9.315 -3.975 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.420 -5.782 4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.697 -5.015 5.882 1.00 0.00 H new ATOM 435 N ASP A 30 7.669 -3.710 5.883 1.00 0.00 N ATOM 436 CA ASP A 30 6.615 -3.189 6.747 1.00 0.00 C ATOM 437 C ASP A 30 5.247 -3.698 6.302 1.00 0.00 C ATOM 438 O ASP A 30 5.040 -4.003 5.127 1.00 0.00 O ATOM 439 CB ASP A 30 6.631 -1.660 6.741 1.00 0.00 C ATOM 440 CG ASP A 30 7.589 -1.088 7.768 1.00 0.00 C ATOM 441 OD1 ASP A 30 8.740 -1.568 7.839 1.00 0.00 O ATOM 442 OD2 ASP A 30 7.189 -0.158 8.499 1.00 0.00 O ATOM 0 H ASP A 30 7.517 -3.548 4.887 1.00 0.00 H new ATOM 0 HA ASP A 30 6.802 -3.542 7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.912 -1.306 5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.626 -1.288 6.939 1.00 0.00 H new ATOM 447 N ARG A 31 4.319 -3.787 7.248 1.00 0.00 N ATOM 448 CA ARG A 31 2.972 -4.261 6.954 1.00 0.00 C ATOM 449 C ARG A 31 2.105 -3.130 6.408 1.00 0.00 C ATOM 450 O ARG A 31 2.298 -1.964 6.753 1.00 0.00 O ATOM 451 CB ARG A 31 2.329 -4.849 8.212 1.00 0.00 C ATOM 452 CG ARG A 31 2.971 -6.147 8.674 1.00 0.00 C ATOM 453 CD ARG A 31 2.449 -7.338 7.887 1.00 0.00 C ATOM 454 NE ARG A 31 3.366 -8.474 7.938 1.00 0.00 N ATOM 455 CZ ARG A 31 2.996 -9.728 7.707 1.00 0.00 C ATOM 456 NH1 ARG A 31 1.735 -10.007 7.409 1.00 0.00 N ATOM 457 NH2 ARG A 31 3.890 -10.707 7.772 1.00 0.00 N ATOM 0 H ARG A 31 4.475 -3.537 8.225 1.00 0.00 H new ATOM 0 HA ARG A 31 3.045 -5.039 6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.390 -4.117 9.017 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.270 -5.025 8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.053 -6.080 8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.771 -6.295 9.735 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.479 -7.637 8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.292 -7.045 6.849 1.00 0.00 H new ATOM 0 HE ARG A 31 4.344 -8.294 8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.045 -9.257 7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.454 -10.971 7.232 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.862 -10.496 8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.605 -11.670 7.594 1.00 0.00 H new ATOM 471 N VAL A 32 1.149 -3.483 5.555 1.00 0.00 N ATOM 472 CA VAL A 32 0.251 -2.499 4.962 1.00 0.00 C ATOM 473 C VAL A 32 -1.181 -3.019 4.914 1.00 0.00 C ATOM 474 O VAL A 32 -1.424 -4.163 4.531 1.00 0.00 O ATOM 475 CB VAL A 32 0.697 -2.120 3.537 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.122 -0.950 3.015 1.00 0.00 C ATOM 477 CG2 VAL A 32 2.183 -1.796 3.512 1.00 0.00 C ATOM 0 H VAL A 32 0.976 -4.444 5.259 1.00 0.00 H new ATOM 0 HA VAL A 32 0.290 -1.613 5.595 1.00 0.00 H new ATOM 0 HB VAL A 32 0.525 -2.974 2.882 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.207 -0.696 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.177 -1.225 2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.016 -0.089 3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.480 -1.531 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.384 -0.959 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.751 -2.667 3.840 1.00 0.00 H new ATOM 487 N ASP A 33 -2.126 -2.171 5.305 1.00 0.00 N ATOM 488 CA ASP A 33 -3.535 -2.544 5.305 1.00 0.00 C ATOM 489 C ASP A 33 -4.248 -1.977 4.081 1.00 0.00 C ATOM 490 O ASP A 33 -4.735 -0.847 4.101 1.00 0.00 O ATOM 491 CB ASP A 33 -4.216 -2.047 6.582 1.00 0.00 C ATOM 492 CG ASP A 33 -3.879 -2.903 7.788 1.00 0.00 C ATOM 493 OD1 ASP A 33 -3.719 -4.129 7.618 1.00 0.00 O ATOM 494 OD2 ASP A 33 -3.776 -2.345 8.901 1.00 0.00 O ATOM 0 H ASP A 33 -1.941 -1.221 5.626 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.597 -3.632 5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.914 -1.018 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.296 -2.040 6.435 1.00 0.00 H new ATOM 499 N VAL A 34 -4.303 -2.769 3.015 1.00 0.00 N ATOM 500 CA VAL A 34 -4.956 -2.347 1.782 1.00 0.00 C ATOM 501 C VAL A 34 -6.464 -2.551 1.860 1.00 0.00 C ATOM 502 O VAL A 34 -6.937 -3.615 2.260 1.00 0.00 O ATOM 503 CB VAL A 34 -4.407 -3.116 0.565 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.339 -2.964 -0.628 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.005 -2.637 0.221 1.00 0.00 C ATOM 0 H VAL A 34 -3.903 -3.707 2.981 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.743 -1.285 1.659 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.352 -4.174 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.935 -3.514 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.322 -3.360 -0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.429 -1.909 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.633 -3.191 -0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.032 -1.573 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.345 -2.803 1.072 1.00 0.00 H new ATOM 515 N MET A 35 -7.216 -1.525 1.475 1.00 0.00 N ATOM 516 CA MET A 35 -8.672 -1.593 1.500 1.00 0.00 C ATOM 517 C MET A 35 -9.241 -1.587 0.085 1.00 0.00 C ATOM 518 O MET A 35 -9.983 -2.491 -0.299 1.00 0.00 O ATOM 519 CB MET A 35 -9.245 -0.420 2.298 1.00 0.00 C ATOM 520 CG MET A 35 -9.188 -0.624 3.803 1.00 0.00 C ATOM 521 SD MET A 35 -9.765 0.817 4.721 1.00 0.00 S ATOM 522 CE MET A 35 -8.550 0.890 6.035 1.00 0.00 C ATOM 0 H MET A 35 -6.841 -0.637 1.142 1.00 0.00 H new ATOM 0 HA MET A 35 -8.959 -2.527 1.984 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.696 0.486 2.041 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.281 -0.260 2.000 1.00 0.00 H new ATOM 0 HG2 MET A 35 -9.795 -1.488 4.072 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.163 -0.851 4.097 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.708 1.792 6.627 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.653 0.014 6.675 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.549 0.909 5.604 1.00 0.00 H new ATOM 532 N GLN A 36 -8.889 -0.562 -0.685 1.00 0.00 N ATOM 533 CA GLN A 36 -9.367 -0.439 -2.057 1.00 0.00 C ATOM 534 C GLN A 36 -8.257 -0.765 -3.051 1.00 0.00 C ATOM 535 O GLN A 36 -7.083 -0.497 -2.794 1.00 0.00 O ATOM 536 CB GLN A 36 -9.896 0.973 -2.311 1.00 0.00 C ATOM 537 CG GLN A 36 -10.315 1.217 -3.752 1.00 0.00 C ATOM 538 CD GLN A 36 -10.272 2.683 -4.132 1.00 0.00 C ATOM 539 OE1 GLN A 36 -10.151 3.556 -3.272 1.00 0.00 O ATOM 540 NE2 GLN A 36 -10.370 2.963 -5.426 1.00 0.00 N ATOM 0 H GLN A 36 -8.275 0.194 -0.382 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.178 -1.154 -2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.749 1.155 -1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.126 1.695 -2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.660 0.654 -4.417 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.325 0.836 -3.902 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.469 2.208 -6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.346 3.933 -5.741 1.00 0.00 H new ATOM 549 N GLN A 37 -8.636 -1.343 -4.186 1.00 0.00 N ATOM 550 CA GLN A 37 -7.671 -1.706 -5.218 1.00 0.00 C ATOM 551 C GLN A 37 -8.006 -1.023 -6.540 1.00 0.00 C ATOM 552 O GLN A 37 -8.979 -1.378 -7.204 1.00 0.00 O ATOM 553 CB GLN A 37 -7.642 -3.223 -5.407 1.00 0.00 C ATOM 554 CG GLN A 37 -7.507 -3.996 -4.105 1.00 0.00 C ATOM 555 CD GLN A 37 -7.151 -5.453 -4.326 1.00 0.00 C ATOM 556 OE1 GLN A 37 -6.139 -5.941 -3.821 1.00 0.00 O ATOM 557 NE2 GLN A 37 -7.983 -6.158 -5.084 1.00 0.00 N ATOM 0 H GLN A 37 -9.604 -1.570 -4.415 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.686 -1.368 -4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.556 -3.535 -5.912 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.811 -3.483 -6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.741 -3.528 -3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.444 -3.935 -3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.810 -5.714 -5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.795 -7.144 -5.267 1.00 0.00 H new ATOM 566 N CYS A 38 -7.193 -0.041 -6.915 1.00 0.00 N ATOM 567 CA CYS A 38 -7.403 0.693 -8.157 1.00 0.00 C ATOM 568 C CYS A 38 -7.205 -0.216 -9.366 1.00 0.00 C ATOM 569 O CYS A 38 -6.585 -1.274 -9.264 1.00 0.00 O ATOM 570 CB CYS A 38 -6.448 1.884 -8.238 1.00 0.00 C ATOM 571 SG CYS A 38 -6.987 3.329 -7.293 1.00 0.00 S ATOM 0 H CYS A 38 -6.383 0.265 -6.376 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.430 1.059 -8.164 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.467 1.574 -7.879 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.329 2.170 -9.283 1.00 0.00 H new ATOM 0 HG CYS A 38 -6.113 4.283 -7.422 1.00 0.00 H new ATOM 577 N ASP A 39 -7.739 0.203 -10.508 1.00 0.00 N ATOM 578 CA ASP A 39 -7.622 -0.574 -11.737 1.00 0.00 C ATOM 579 C ASP A 39 -6.293 -0.294 -12.432 1.00 0.00 C ATOM 580 O ASP A 39 -5.584 -1.217 -12.833 1.00 0.00 O ATOM 581 CB ASP A 39 -8.782 -0.254 -12.680 1.00 0.00 C ATOM 582 CG ASP A 39 -8.733 -1.071 -13.957 1.00 0.00 C ATOM 583 OD1 ASP A 39 -7.624 -1.254 -14.501 1.00 0.00 O ATOM 584 OD2 ASP A 39 -9.803 -1.527 -14.410 1.00 0.00 O ATOM 0 H ASP A 39 -8.257 1.076 -10.609 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.659 -1.631 -11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.725 -0.442 -12.168 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.761 0.807 -12.930 1.00 0.00 H new ATOM 589 N ASP A 40 -5.963 0.985 -12.573 1.00 0.00 N ATOM 590 CA ASP A 40 -4.719 1.388 -13.219 1.00 0.00 C ATOM 591 C ASP A 40 -3.556 0.521 -12.747 1.00 0.00 C ATOM 592 O ASP A 40 -2.654 0.199 -13.519 1.00 0.00 O ATOM 593 CB ASP A 40 -4.424 2.861 -12.933 1.00 0.00 C ATOM 594 CG ASP A 40 -5.549 3.774 -13.378 1.00 0.00 C ATOM 595 OD1 ASP A 40 -6.198 3.463 -14.399 1.00 0.00 O ATOM 596 OD2 ASP A 40 -5.782 4.799 -12.704 1.00 0.00 O ATOM 0 H ASP A 40 -6.540 1.761 -12.248 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.836 1.252 -14.294 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.254 2.994 -11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.504 3.149 -13.441 1.00 0.00 H new ATOM 601 N GLY A 41 -3.583 0.148 -11.471 1.00 0.00 N ATOM 602 CA GLY A 41 -2.525 -0.677 -10.917 1.00 0.00 C ATOM 603 C GLY A 41 -1.978 -0.121 -9.617 1.00 0.00 C ATOM 604 O GLY A 41 -0.777 -0.200 -9.358 1.00 0.00 O ATOM 0 H GLY A 41 -4.318 0.402 -10.811 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.905 -1.684 -10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.716 -0.760 -11.642 1.00 0.00 H new ATOM 608 N TRP A 42 -2.859 0.442 -8.799 1.00 0.00 N ATOM 609 CA TRP A 42 -2.457 1.015 -7.519 1.00 0.00 C ATOM 610 C TRP A 42 -3.346 0.504 -6.391 1.00 0.00 C ATOM 611 O TRP A 42 -4.440 -0.005 -6.632 1.00 0.00 O ATOM 612 CB TRP A 42 -2.515 2.542 -7.580 1.00 0.00 C ATOM 613 CG TRP A 42 -1.256 3.164 -8.104 1.00 0.00 C ATOM 614 CD1 TRP A 42 -0.660 2.917 -9.308 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.439 4.135 -7.441 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.479 3.675 -9.433 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.637 4.431 -8.302 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.511 4.783 -6.206 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.629 5.347 -7.963 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.475 5.692 -5.871 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.533 5.968 -6.747 1.00 0.00 C ATOM 0 H TRP A 42 -3.857 0.514 -8.999 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.432 0.706 -7.316 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.350 2.842 -8.213 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.716 2.931 -6.582 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.030 2.227 -10.052 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.106 3.675 -10.238 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.323 4.577 -5.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.446 5.560 -8.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.429 6.198 -4.918 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.287 6.685 -6.457 1.00 0.00 H new ATOM 632 N PHE A 43 -2.870 0.644 -5.158 1.00 0.00 N ATOM 633 CA PHE A 43 -3.622 0.196 -3.992 1.00 0.00 C ATOM 634 C PHE A 43 -3.845 1.346 -3.014 1.00 0.00 C ATOM 635 O PHE A 43 -3.024 2.258 -2.913 1.00 0.00 O ATOM 636 CB PHE A 43 -2.886 -0.948 -3.293 1.00 0.00 C ATOM 637 CG PHE A 43 -2.795 -2.198 -4.121 1.00 0.00 C ATOM 638 CD1 PHE A 43 -3.890 -2.647 -4.843 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.616 -2.923 -4.178 1.00 0.00 C ATOM 640 CE1 PHE A 43 -3.810 -3.796 -5.606 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.530 -4.073 -4.940 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.628 -4.511 -5.654 1.00 0.00 C ATOM 0 H PHE A 43 -1.966 1.064 -4.941 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.594 -0.161 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.879 -0.618 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.395 -1.178 -2.357 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.816 -2.092 -4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.754 -2.586 -3.621 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.670 -4.135 -6.164 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.605 -4.629 -4.977 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.563 -5.410 -6.249 1.00 0.00 H new ATOM 652 N VAL A 44 -4.961 1.295 -2.295 1.00 0.00 N ATOM 653 CA VAL A 44 -5.293 2.331 -1.324 1.00 0.00 C ATOM 654 C VAL A 44 -5.679 1.722 0.019 1.00 0.00 C ATOM 655 O VAL A 44 -6.545 0.851 0.092 1.00 0.00 O ATOM 656 CB VAL A 44 -6.448 3.219 -1.823 1.00 0.00 C ATOM 657 CG1 VAL A 44 -6.867 4.208 -0.745 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.049 3.946 -3.098 1.00 0.00 C ATOM 0 H VAL A 44 -5.651 0.547 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.401 2.945 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.302 2.580 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.684 4.826 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.197 3.664 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.020 4.843 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.877 4.569 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.180 4.574 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.804 3.217 -3.871 1.00 0.00 H new ATOM 668 N GLY A 45 -5.030 2.187 1.083 1.00 0.00 N ATOM 669 CA GLY A 45 -5.319 1.677 2.410 1.00 0.00 C ATOM 670 C GLY A 45 -4.661 2.497 3.502 1.00 0.00 C ATOM 671 O GLY A 45 -4.655 3.727 3.447 1.00 0.00 O ATOM 0 H GLY A 45 -4.309 2.908 1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.398 1.669 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.979 0.644 2.481 1.00 0.00 H new ATOM 675 N VAL A 46 -4.105 1.816 4.499 1.00 0.00 N ATOM 676 CA VAL A 46 -3.442 2.489 5.609 1.00 0.00 C ATOM 677 C VAL A 46 -2.099 1.839 5.923 1.00 0.00 C ATOM 678 O VAL A 46 -1.887 0.660 5.639 1.00 0.00 O ATOM 679 CB VAL A 46 -4.316 2.473 6.878 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.551 3.046 8.061 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.607 3.243 6.644 1.00 0.00 C ATOM 0 H VAL A 46 -4.101 0.798 4.560 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.280 3.522 5.301 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.572 1.439 7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.184 3.026 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.657 2.448 8.240 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.262 4.074 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.213 3.222 7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.373 4.276 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.162 2.783 5.826 1.00 0.00 H new ATOM 691 N SER A 47 -1.195 2.616 6.510 1.00 0.00 N ATOM 692 CA SER A 47 0.130 2.117 6.859 1.00 0.00 C ATOM 693 C SER A 47 0.127 1.497 8.253 1.00 0.00 C ATOM 694 O SER A 47 -0.860 1.589 8.983 1.00 0.00 O ATOM 695 CB SER A 47 1.158 3.249 6.795 1.00 0.00 C ATOM 696 OG SER A 47 2.425 2.814 7.257 1.00 0.00 O ATOM 0 H SER A 47 -1.356 3.593 6.754 1.00 0.00 H new ATOM 0 HA SER A 47 0.402 1.347 6.138 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.245 3.608 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.816 4.090 7.399 1.00 0.00 H new ATOM 0 HG SER A 47 3.064 3.555 7.204 1.00 0.00 H new ATOM 702 N ARG A 48 1.239 0.866 8.616 1.00 0.00 N ATOM 703 CA ARG A 48 1.365 0.229 9.922 1.00 0.00 C ATOM 704 C ARG A 48 2.501 0.856 10.725 1.00 0.00 C ATOM 705 O ARG A 48 2.807 0.416 11.833 1.00 0.00 O ATOM 706 CB ARG A 48 1.609 -1.272 9.759 1.00 0.00 C ATOM 707 CG ARG A 48 0.409 -2.029 9.214 1.00 0.00 C ATOM 708 CD ARG A 48 -0.710 -2.113 10.241 1.00 0.00 C ATOM 709 NE ARG A 48 -0.235 -2.615 11.528 1.00 0.00 N ATOM 710 CZ ARG A 48 -0.892 -2.448 12.670 1.00 0.00 C ATOM 711 NH1 ARG A 48 -2.047 -1.796 12.684 1.00 0.00 N ATOM 712 NH2 ARG A 48 -0.395 -2.934 13.800 1.00 0.00 N ATOM 0 H ARG A 48 2.066 0.782 8.024 1.00 0.00 H new ATOM 0 HA ARG A 48 0.432 0.382 10.465 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.457 -1.423 9.091 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.885 -1.694 10.725 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.043 -1.534 8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.713 -3.034 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.152 -1.126 10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.498 -2.766 9.866 1.00 0.00 H new ATOM 0 HE ARG A 48 0.650 -3.122 11.551 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -2.432 -1.422 11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.550 -1.669 13.562 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.493 -3.436 13.792 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.900 -2.805 14.677 1.00 0.00 H new ATOM 726 N ARG A 49 3.122 1.885 10.158 1.00 0.00 N ATOM 727 CA ARG A 49 4.225 2.571 10.820 1.00 0.00 C ATOM 728 C ARG A 49 3.840 4.005 11.173 1.00 0.00 C ATOM 729 O ARG A 49 4.246 4.532 12.209 1.00 0.00 O ATOM 730 CB ARG A 49 5.465 2.571 9.924 1.00 0.00 C ATOM 731 CG ARG A 49 6.657 3.291 10.534 1.00 0.00 C ATOM 732 CD ARG A 49 7.961 2.862 9.880 1.00 0.00 C ATOM 733 NE ARG A 49 8.030 3.266 8.478 1.00 0.00 N ATOM 734 CZ ARG A 49 8.206 4.522 8.083 1.00 0.00 C ATOM 735 NH1 ARG A 49 8.332 5.491 8.980 1.00 0.00 N ATOM 736 NH2 ARG A 49 8.258 4.811 6.789 1.00 0.00 N ATOM 0 H ARG A 49 2.880 2.262 9.242 1.00 0.00 H new ATOM 0 HA ARG A 49 4.451 2.036 11.742 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.746 1.540 9.707 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.215 3.041 8.973 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.529 4.368 10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.700 3.085 11.603 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.799 3.297 10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.063 1.779 9.950 1.00 0.00 H new ATOM 0 HE ARG A 49 7.938 2.544 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.294 5.272 9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.467 6.455 8.674 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.163 4.068 6.096 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.393 5.776 6.487 1.00 0.00 H new ATOM 750 N THR A 50 3.053 4.632 10.304 1.00 0.00 N ATOM 751 CA THR A 50 2.615 6.005 10.522 1.00 0.00 C ATOM 752 C THR A 50 1.102 6.077 10.697 1.00 0.00 C ATOM 753 O THR A 50 0.561 7.119 11.068 1.00 0.00 O ATOM 754 CB THR A 50 3.030 6.920 9.355 1.00 0.00 C ATOM 755 OG1 THR A 50 2.544 6.386 8.118 1.00 0.00 O ATOM 756 CG2 THR A 50 4.543 7.064 9.292 1.00 0.00 C ATOM 0 H THR A 50 2.706 4.210 9.442 1.00 0.00 H new ATOM 0 HA THR A 50 3.101 6.351 11.434 1.00 0.00 H new ATOM 0 HB THR A 50 2.594 7.905 9.521 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.810 6.974 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.812 7.715 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.906 7.497 10.224 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.996 6.083 9.147 1.00 0.00 H new ATOM 764 N GLN A 51 0.426 4.965 10.428 1.00 0.00 N ATOM 765 CA GLN A 51 -1.025 4.904 10.556 1.00 0.00 C ATOM 766 C GLN A 51 -1.692 5.985 9.712 1.00 0.00 C ATOM 767 O GLN A 51 -2.763 6.485 10.057 1.00 0.00 O ATOM 768 CB GLN A 51 -1.436 5.060 12.022 1.00 0.00 C ATOM 769 CG GLN A 51 -0.927 3.942 12.918 1.00 0.00 C ATOM 770 CD GLN A 51 -1.501 2.589 12.547 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.618 2.494 12.037 1.00 0.00 O ATOM 772 NE2 GLN A 51 -0.739 1.532 12.801 1.00 0.00 N ATOM 0 H GLN A 51 0.860 4.095 10.120 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.355 3.930 10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.062 6.013 12.396 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.524 5.098 12.084 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.161 3.900 12.858 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.180 4.168 13.954 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.181 1.656 13.225 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.073 0.596 12.572 1.00 0.00 H new ATOM 781 N LYS A 52 -1.052 6.341 8.603 1.00 0.00 N ATOM 782 CA LYS A 52 -1.583 7.362 7.707 1.00 0.00 C ATOM 783 C LYS A 52 -2.453 6.735 6.623 1.00 0.00 C ATOM 784 O LYS A 52 -2.384 5.531 6.377 1.00 0.00 O ATOM 785 CB LYS A 52 -0.439 8.152 7.066 1.00 0.00 C ATOM 786 CG LYS A 52 0.174 9.192 7.988 1.00 0.00 C ATOM 787 CD LYS A 52 0.863 10.295 7.203 1.00 0.00 C ATOM 788 CE LYS A 52 2.274 9.894 6.800 1.00 0.00 C ATOM 789 NZ LYS A 52 2.889 10.884 5.873 1.00 0.00 N ATOM 0 H LYS A 52 -0.165 5.937 8.303 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.200 8.041 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.338 7.457 6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.809 8.647 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.603 9.624 8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.893 8.712 8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.281 10.527 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.899 11.203 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.893 9.799 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.251 8.915 6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.850 10.575 5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.312 10.957 5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.935 11.813 6.338 1.00 0.00 H new ATOM 803 N PHE A 53 -3.269 7.560 5.975 1.00 0.00 N ATOM 804 CA PHE A 53 -4.152 7.086 4.916 1.00 0.00 C ATOM 805 C PHE A 53 -3.772 7.704 3.574 1.00 0.00 C ATOM 806 O PHE A 53 -3.266 8.824 3.515 1.00 0.00 O ATOM 807 CB PHE A 53 -5.608 7.418 5.249 1.00 0.00 C ATOM 808 CG PHE A 53 -6.593 6.839 4.275 1.00 0.00 C ATOM 809 CD1 PHE A 53 -7.068 5.547 4.435 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.045 7.586 3.199 1.00 0.00 C ATOM 811 CE1 PHE A 53 -7.975 5.011 3.541 1.00 0.00 C ATOM 812 CE2 PHE A 53 -7.952 7.055 2.302 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.417 5.766 2.472 1.00 0.00 C ATOM 0 H PHE A 53 -3.337 8.560 6.165 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.041 6.004 4.843 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.837 7.048 6.248 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -5.729 8.501 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.725 4.952 5.268 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -6.684 8.594 3.060 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.338 4.003 3.678 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.297 7.648 1.468 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.125 5.349 1.771 1.00 0.00 H new ATOM 823 N GLY A 54 -4.020 6.965 2.497 1.00 0.00 N ATOM 824 CA GLY A 54 -3.697 7.456 1.170 1.00 0.00 C ATOM 825 C GLY A 54 -3.567 6.339 0.154 1.00 0.00 C ATOM 826 O GLY A 54 -4.005 5.213 0.397 1.00 0.00 O ATOM 0 H GLY A 54 -4.439 6.035 2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.471 8.151 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.763 8.016 1.211 1.00 0.00 H new ATOM 830 N THR A 55 -2.966 6.648 -0.991 1.00 0.00 N ATOM 831 CA THR A 55 -2.783 5.663 -2.049 1.00 0.00 C ATOM 832 C THR A 55 -1.305 5.469 -2.370 1.00 0.00 C ATOM 833 O THR A 55 -0.522 6.419 -2.335 1.00 0.00 O ATOM 834 CB THR A 55 -3.526 6.073 -3.334 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.448 5.021 -4.302 1.00 0.00 O ATOM 836 CG2 THR A 55 -2.937 7.350 -3.915 1.00 0.00 C ATOM 0 H THR A 55 -2.598 7.574 -1.209 1.00 0.00 H new ATOM 0 HA THR A 55 -3.199 4.725 -1.682 1.00 0.00 H new ATOM 0 HB THR A 55 -4.570 6.256 -3.081 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.282 4.169 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.478 7.620 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.025 8.156 -3.186 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.886 7.190 -4.153 1.00 0.00 H new ATOM 844 N PHE A 56 -0.929 4.234 -2.684 1.00 0.00 N ATOM 845 CA PHE A 56 0.456 3.916 -3.011 1.00 0.00 C ATOM 846 C PHE A 56 0.526 2.899 -4.147 1.00 0.00 C ATOM 847 O PHE A 56 -0.418 2.152 -4.405 1.00 0.00 O ATOM 848 CB PHE A 56 1.182 3.372 -1.779 1.00 0.00 C ATOM 849 CG PHE A 56 0.339 2.450 -0.945 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.610 2.958 -0.072 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.496 1.077 -1.033 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.388 2.112 0.697 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.279 0.226 -0.267 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.221 0.745 0.600 1.00 0.00 C ATOM 0 H PHE A 56 -1.564 3.437 -2.719 1.00 0.00 H new ATOM 0 HA PHE A 56 0.946 4.834 -3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.078 2.841 -2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.511 4.208 -1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.743 4.027 0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.232 0.666 -1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.125 2.520 1.373 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.148 -0.843 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.826 0.082 1.201 1.00 0.00 H new ATOM 864 N PRO A 57 1.673 2.868 -4.842 1.00 0.00 N ATOM 865 CA PRO A 57 1.895 1.947 -5.961 1.00 0.00 C ATOM 866 C PRO A 57 2.019 0.498 -5.504 1.00 0.00 C ATOM 867 O PRO A 57 3.046 0.094 -4.960 1.00 0.00 O ATOM 868 CB PRO A 57 3.216 2.433 -6.563 1.00 0.00 C ATOM 869 CG PRO A 57 3.918 3.112 -5.438 1.00 0.00 C ATOM 870 CD PRO A 57 2.841 3.728 -4.589 1.00 0.00 C ATOM 0 HA PRO A 57 1.062 1.952 -6.664 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.804 1.601 -6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.044 3.118 -7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.510 2.401 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.605 3.872 -5.809 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.115 3.733 -3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.648 4.762 -4.873 1.00 0.00 H new ATOM 878 N GLY A 58 0.966 -0.281 -5.729 1.00 0.00 N ATOM 879 CA GLY A 58 0.978 -1.678 -5.334 1.00 0.00 C ATOM 880 C GLY A 58 2.210 -2.409 -5.829 1.00 0.00 C ATOM 881 O GLY A 58 2.528 -3.497 -5.351 1.00 0.00 O ATOM 0 H GLY A 58 0.104 0.030 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.931 -1.746 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.086 -2.170 -5.723 1.00 0.00 H new ATOM 885 N ASN A 59 2.905 -1.812 -6.791 1.00 0.00 N ATOM 886 CA ASN A 59 4.108 -2.415 -7.353 1.00 0.00 C ATOM 887 C ASN A 59 5.214 -2.499 -6.306 1.00 0.00 C ATOM 888 O ASN A 59 6.223 -3.177 -6.506 1.00 0.00 O ATOM 889 CB ASN A 59 4.593 -1.608 -8.559 1.00 0.00 C ATOM 890 CG ASN A 59 3.468 -1.271 -9.519 1.00 0.00 C ATOM 891 OD1 ASN A 59 3.107 -2.077 -10.377 1.00 0.00 O ATOM 892 ND2 ASN A 59 2.909 -0.075 -9.379 1.00 0.00 N ATOM 0 H ASN A 59 2.656 -0.911 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 59 3.860 -3.426 -7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.059 -0.686 -8.212 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.360 -2.174 -9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.148 0.208 -9.997 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.240 0.561 -8.654 1.00 0.00 H new ATOM 899 N TYR A 60 5.017 -1.807 -5.189 1.00 0.00 N ATOM 900 CA TYR A 60 5.999 -1.802 -4.110 1.00 0.00 C ATOM 901 C TYR A 60 5.578 -2.744 -2.986 1.00 0.00 C ATOM 902 O TYR A 60 6.416 -3.267 -2.252 1.00 0.00 O ATOM 903 CB TYR A 60 6.178 -0.385 -3.563 1.00 0.00 C ATOM 904 CG TYR A 60 7.041 0.496 -4.437 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.645 0.832 -5.726 1.00 0.00 C ATOM 906 CD2 TYR A 60 8.253 0.994 -3.974 1.00 0.00 C ATOM 907 CE1 TYR A 60 7.430 1.636 -6.528 1.00 0.00 C ATOM 908 CE2 TYR A 60 9.044 1.800 -4.769 1.00 0.00 C ATOM 909 CZ TYR A 60 8.629 2.119 -6.045 1.00 0.00 C ATOM 910 OH TYR A 60 9.415 2.921 -6.841 1.00 0.00 O ATOM 0 H TYR A 60 4.187 -1.243 -5.007 1.00 0.00 H new ATOM 0 HA TYR A 60 6.949 -2.151 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.198 0.078 -3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.621 -0.442 -2.569 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.706 0.457 -6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.582 0.747 -2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.107 1.886 -7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.983 2.179 -4.393 1.00 0.00 H new ATOM 0 HH TYR A 60 10.224 3.176 -6.350 1.00 0.00 H new ATOM 920 N VAL A 61 4.272 -2.957 -2.859 1.00 0.00 N ATOM 921 CA VAL A 61 3.737 -3.837 -1.827 1.00 0.00 C ATOM 922 C VAL A 61 3.176 -5.118 -2.433 1.00 0.00 C ATOM 923 O VAL A 61 3.113 -5.264 -3.654 1.00 0.00 O ATOM 924 CB VAL A 61 2.631 -3.140 -1.013 1.00 0.00 C ATOM 925 CG1 VAL A 61 3.153 -1.853 -0.394 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.418 -2.866 -1.889 1.00 0.00 C ATOM 0 H VAL A 61 3.565 -2.532 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 61 4.565 -4.085 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 61 2.325 -3.805 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.357 -1.375 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.988 -2.080 0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.488 -1.180 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.646 -2.373 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.707 -2.221 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.031 -3.807 -2.279 1.00 0.00 H new ATOM 936 N ALA A 62 2.770 -6.045 -1.572 1.00 0.00 N ATOM 937 CA ALA A 62 2.211 -7.314 -2.023 1.00 0.00 C ATOM 938 C ALA A 62 1.322 -7.934 -0.951 1.00 0.00 C ATOM 939 O ALA A 62 1.493 -7.697 0.245 1.00 0.00 O ATOM 940 CB ALA A 62 3.327 -8.275 -2.406 1.00 0.00 C ATOM 0 H ALA A 62 2.818 -5.941 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 62 1.595 -7.120 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.896 -9.218 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.920 -7.841 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.965 -8.455 -1.541 1.00 0.00 H new ATOM 946 N PRO A 63 0.348 -8.748 -1.386 1.00 0.00 N ATOM 947 CA PRO A 63 -0.587 -9.418 -0.479 1.00 0.00 C ATOM 948 C PRO A 63 0.087 -10.507 0.349 1.00 0.00 C ATOM 949 O PRO A 63 0.360 -11.600 -0.149 1.00 0.00 O ATOM 950 CB PRO A 63 -1.623 -10.030 -1.426 1.00 0.00 C ATOM 951 CG PRO A 63 -0.898 -10.210 -2.715 1.00 0.00 C ATOM 952 CD PRO A 63 0.087 -9.076 -2.797 1.00 0.00 C ATOM 0 HA PRO A 63 -1.011 -8.728 0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.995 -10.981 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.486 -9.375 -1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.388 -11.173 -2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.589 -10.189 -3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.999 -9.372 -3.316 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.325 -8.224 -3.338 1.00 0.00 H new ATOM 960 N VAL A 64 0.353 -10.203 1.615 1.00 0.00 N ATOM 961 CA VAL A 64 0.994 -11.157 2.512 1.00 0.00 C ATOM 962 C VAL A 64 0.020 -12.248 2.941 1.00 0.00 C ATOM 963 O VAL A 64 0.430 -13.328 3.367 1.00 0.00 O ATOM 964 CB VAL A 64 1.552 -10.460 3.767 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.573 -9.412 4.276 1.00 0.00 C ATOM 966 CG2 VAL A 64 1.863 -11.482 4.850 1.00 0.00 C ATOM 0 H VAL A 64 0.134 -9.303 2.043 1.00 0.00 H new ATOM 0 HA VAL A 64 1.818 -11.607 1.959 1.00 0.00 H new ATOM 0 HB VAL A 64 2.480 -9.955 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.984 -8.930 5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.406 -8.664 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.373 -9.890 4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.256 -10.972 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.952 -12.017 5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.604 -12.190 4.480 1.00 0.00 H new ATOM 976 N SER A 65 -1.272 -11.959 2.826 1.00 0.00 N ATOM 977 CA SER A 65 -2.306 -12.915 3.205 1.00 0.00 C ATOM 978 C SER A 65 -2.012 -14.294 2.621 1.00 0.00 C ATOM 979 O SER A 65 -2.295 -15.317 3.244 1.00 0.00 O ATOM 980 CB SER A 65 -3.678 -12.430 2.731 1.00 0.00 C ATOM 981 OG SER A 65 -4.687 -13.375 3.039 1.00 0.00 O ATOM 0 H SER A 65 -1.628 -11.071 2.473 1.00 0.00 H new ATOM 0 HA SER A 65 -2.312 -12.994 4.292 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.913 -11.476 3.203 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.654 -12.256 1.655 1.00 0.00 H new ATOM 0 HG SER A 65 -5.554 -13.041 2.727 1.00 0.00 H new ATOM 987 N GLY A 66 -1.442 -14.312 1.420 1.00 0.00 N ATOM 988 CA GLY A 66 -1.118 -15.569 0.772 1.00 0.00 C ATOM 989 C GLY A 66 -2.098 -15.922 -0.329 1.00 0.00 C ATOM 990 O GLY A 66 -3.290 -15.623 -0.249 1.00 0.00 O ATOM 0 H GLY A 66 -1.199 -13.479 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.113 -15.511 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.109 -16.366 1.516 1.00 0.00 H new ATOM 994 N PRO A 67 -1.595 -16.572 -1.389 1.00 0.00 N ATOM 995 CA PRO A 67 -2.417 -16.979 -2.532 1.00 0.00 C ATOM 996 C PRO A 67 -3.385 -18.103 -2.179 1.00 0.00 C ATOM 997 O PRO A 67 -3.100 -18.932 -1.315 1.00 0.00 O ATOM 998 CB PRO A 67 -1.387 -17.462 -3.556 1.00 0.00 C ATOM 999 CG PRO A 67 -0.211 -17.879 -2.742 1.00 0.00 C ATOM 1000 CD PRO A 67 -0.184 -16.960 -1.553 1.00 0.00 C ATOM 0 HA PRO A 67 -3.046 -16.165 -2.892 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.775 -18.292 -4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.123 -16.669 -4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.302 -18.919 -2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.711 -17.799 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.200 -17.463 -0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.453 -16.093 -1.729 1.00 0.00 H new ATOM 1008 N SER A 68 -4.531 -18.125 -2.853 1.00 0.00 N ATOM 1009 CA SER A 68 -5.542 -19.146 -2.608 1.00 0.00 C ATOM 1010 C SER A 68 -5.319 -20.359 -3.506 1.00 0.00 C ATOM 1011 O SER A 68 -5.695 -20.355 -4.678 1.00 0.00 O ATOM 1012 CB SER A 68 -6.942 -18.574 -2.843 1.00 0.00 C ATOM 1013 OG SER A 68 -7.912 -19.269 -2.078 1.00 0.00 O ATOM 0 H SER A 68 -4.782 -17.447 -3.573 1.00 0.00 H new ATOM 0 HA SER A 68 -5.456 -19.465 -1.569 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.955 -17.517 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.193 -18.641 -3.902 1.00 0.00 H new ATOM 0 HG SER A 68 -8.797 -18.884 -2.244 1.00 0.00 H new ATOM 1019 N SER A 69 -4.705 -21.396 -2.946 1.00 0.00 N ATOM 1020 CA SER A 69 -4.427 -22.616 -3.696 1.00 0.00 C ATOM 1021 C SER A 69 -3.869 -22.289 -5.078 1.00 0.00 C ATOM 1022 O SER A 69 -4.189 -22.953 -6.062 1.00 0.00 O ATOM 1023 CB SER A 69 -5.698 -23.456 -3.833 1.00 0.00 C ATOM 1024 OG SER A 69 -5.386 -24.818 -4.070 1.00 0.00 O ATOM 0 H SER A 69 -4.390 -21.416 -1.976 1.00 0.00 H new ATOM 0 HA SER A 69 -3.679 -23.188 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.295 -23.369 -2.925 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.306 -23.071 -4.652 1.00 0.00 H new ATOM 0 HG SER A 69 -4.848 -24.893 -4.885 1.00 0.00 H new ATOM 1030 N GLY A 70 -3.031 -21.258 -5.142 1.00 0.00 N ATOM 1031 CA GLY A 70 -2.441 -20.860 -6.406 1.00 0.00 C ATOM 1032 C GLY A 70 -3.484 -20.512 -7.449 1.00 0.00 C ATOM 1033 O GLY A 70 -3.274 -20.728 -8.643 1.00 0.00 O ATOM 0 H GLY A 70 -2.751 -20.692 -4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.791 -20.000 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.813 -21.668 -6.781 1.00 0.00 H new TER 1037 GLY A 70