USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 658 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 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 45 MET CE :methyl -126:sc= -0.813 (180deg=-5.45!) USER MOD Set 2.2: A 80 MET CE :methyl 137:sc= -0.207 (180deg=-1.42!) USER MOD Set 3.1: A 50 GLN : amide:sc= -0.69! K(o=-3.4!,f=0.14) USER MOD Set 3.2: A 84 SER OG : rot -150:sc= -2.76! USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -141:sc= -0.401 (180deg=-3.13!) USER MOD Single : A 11 GLN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0651 USER MOD Single : A 16 GLN : amide:sc= -0.0226 X(o=-0.023,f=0.00042) USER MOD Single : A 17 LYS NZ :NH3+ -110:sc= -0.199 (180deg=-1.39!) USER MOD Single : A 18 ASN : amide:sc= 0.773 K(o=0.77,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -135:sc= 0.487 (180deg=-1.59!) USER MOD Single : A 35 SER OG : rot 96:sc= -0.152 USER MOD Single : A 37 SER OG : rot 160:sc= 0.0739 USER MOD Single : A 38 THR OG1 : rot 68:sc= -0.857! USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.539) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -107:sc= -10.1! (180deg=-16.8!) USER MOD Single : A 51 ASN : amide:sc= -0.0648 K(o=-0.065,f=-1.1) USER MOD Single : A 53 THR OG1 : rot 143:sc= -4.28! USER MOD Single : A 58 GLN : amide:sc= -7.21! C(o=-7.2!,f=-5.8!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -73:sc= 0.0849 USER MOD Single : A 81 MET CE :methyl 148:sc= -6.28! (180deg=-7.2!) USER MOD Single : A 85 MET CE :methyl -118:sc= -1.84! (180deg=-6.58!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 63.373 20.258 -0.882 1.00 4.98 N ATOM 2 CA ALA A 2 64.256 19.672 0.167 1.00 4.92 C ATOM 3 C ALA A 2 64.772 18.302 -0.280 1.00 4.09 C ATOM 4 O ALA A 2 64.054 17.520 -0.869 1.00 4.52 O ATOM 5 CB ALA A 2 63.365 19.532 1.403 1.00 5.75 C ATOM 0 HA ALA A 2 65.131 20.292 0.363 1.00 4.92 H new ATOM 0 HB1 ALA A 2 63.944 19.106 2.222 1.00 5.75 H new ATOM 0 HB2 ALA A 2 62.991 20.513 1.695 1.00 5.75 H new ATOM 0 HB3 ALA A 2 62.525 18.877 1.173 1.00 5.75 H new ATOM 13 N ASP A 3 66.014 18.006 -0.007 1.00 3.31 N ATOM 14 CA ASP A 3 66.571 16.685 -0.418 1.00 2.98 C ATOM 15 C ASP A 3 67.955 16.473 0.203 1.00 2.31 C ATOM 16 O ASP A 3 68.805 17.340 0.158 1.00 2.93 O ATOM 17 CB ASP A 3 66.675 16.759 -1.942 1.00 3.17 C ATOM 18 CG ASP A 3 67.589 17.919 -2.337 1.00 3.95 C ATOM 19 OD1 ASP A 3 67.294 19.038 -1.950 1.00 4.60 O ATOM 20 OD2 ASP A 3 68.570 17.670 -3.019 1.00 4.32 O ATOM 0 H ASP A 3 66.666 18.620 0.482 1.00 3.31 H new ATOM 0 HA ASP A 3 65.947 15.854 -0.089 1.00 2.98 H new ATOM 0 HB2 ASP A 3 67.069 15.822 -2.336 1.00 3.17 H new ATOM 0 HB3 ASP A 3 65.686 16.897 -2.378 1.00 3.17 H new ATOM 25 N ILE A 4 68.186 15.327 0.780 1.00 1.43 N ATOM 26 CA ILE A 4 69.515 15.058 1.403 1.00 1.28 C ATOM 27 C ILE A 4 70.194 13.879 0.701 1.00 1.13 C ATOM 28 O ILE A 4 71.239 14.021 0.098 1.00 1.61 O ATOM 29 CB ILE A 4 69.209 14.712 2.860 1.00 1.66 C ATOM 30 CG1 ILE A 4 68.625 15.939 3.563 1.00 2.36 C ATOM 31 CG2 ILE A 4 70.498 14.288 3.565 1.00 1.86 C ATOM 32 CD1 ILE A 4 67.792 15.490 4.765 1.00 2.80 C ATOM 0 H ILE A 4 67.513 14.564 0.848 1.00 1.43 H new ATOM 0 HA ILE A 4 70.190 15.910 1.322 1.00 1.28 H new ATOM 0 HB ILE A 4 68.489 13.894 2.896 1.00 1.66 H new ATOM 0 HG12 ILE A 4 69.427 16.600 3.890 1.00 2.36 H new ATOM 0 HG13 ILE A 4 68.005 16.508 2.870 1.00 2.36 H new ATOM 0 HG21 ILE A 4 70.280 14.041 4.604 1.00 1.86 H new ATOM 0 HG22 ILE A 4 70.916 13.415 3.065 1.00 1.86 H new ATOM 0 HG23 ILE A 4 71.218 15.106 3.530 1.00 1.86 H new ATOM 0 HD11 ILE A 4 67.376 16.364 5.266 1.00 2.80 H new ATOM 0 HD12 ILE A 4 66.981 14.846 4.425 1.00 2.80 H new ATOM 0 HD13 ILE A 4 68.425 14.940 5.461 1.00 2.80 H new ATOM 44 N TYR A 5 69.608 12.716 0.775 1.00 0.88 N ATOM 45 CA TYR A 5 70.218 11.529 0.109 1.00 0.86 C ATOM 46 C TYR A 5 69.849 11.511 -1.375 1.00 0.78 C ATOM 47 O TYR A 5 70.594 11.028 -2.205 1.00 0.79 O ATOM 48 CB TYR A 5 69.622 10.320 0.829 1.00 1.02 C ATOM 49 CG TYR A 5 69.811 10.480 2.318 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.010 10.078 2.918 1.00 1.94 C ATOM 51 CD2 TYR A 5 68.788 11.031 3.099 1.00 1.64 C ATOM 52 CE1 TYR A 5 71.186 10.227 4.299 1.00 2.20 C ATOM 53 CE2 TYR A 5 68.964 11.183 4.479 1.00 1.80 C ATOM 54 CZ TYR A 5 70.164 10.780 5.080 1.00 1.77 C ATOM 55 OH TYR A 5 70.338 10.930 6.441 1.00 2.07 O ATOM 0 H TYR A 5 68.733 12.535 1.268 1.00 0.88 H new ATOM 0 HA TYR A 5 71.307 11.536 0.164 1.00 0.86 H new ATOM 0 HB2 TYR A 5 68.562 10.229 0.594 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.104 9.405 0.486 1.00 1.02 H new ATOM 0 HD1 TYR A 5 71.799 9.653 2.316 1.00 1.94 H new ATOM 0 HD2 TYR A 5 67.862 11.339 2.636 1.00 1.64 H new ATOM 0 HE1 TYR A 5 72.111 9.915 4.762 1.00 2.20 H new ATOM 0 HE2 TYR A 5 68.175 11.611 5.080 1.00 1.80 H new ATOM 0 HH TYR A 5 69.533 11.330 6.832 1.00 2.07 H new ATOM 65 N LYS A 6 68.703 12.035 -1.716 1.00 0.89 N ATOM 66 CA LYS A 6 68.288 12.049 -3.148 1.00 1.01 C ATOM 67 C LYS A 6 69.396 12.664 -4.007 1.00 0.98 C ATOM 68 O LYS A 6 69.742 12.149 -5.051 1.00 1.00 O ATOM 69 CB LYS A 6 67.032 12.921 -3.191 1.00 1.28 C ATOM 70 CG LYS A 6 65.792 12.026 -3.158 1.00 1.60 C ATOM 71 CD LYS A 6 65.800 11.188 -1.879 1.00 2.04 C ATOM 72 CE LYS A 6 64.856 9.995 -2.044 1.00 2.60 C ATOM 73 NZ LYS A 6 64.885 9.298 -0.729 1.00 3.24 N ATOM 0 H LYS A 6 68.037 12.453 -1.066 1.00 0.89 H new ATOM 0 HA LYS A 6 68.100 11.047 -3.534 1.00 1.01 H new ATOM 0 HB2 LYS A 6 67.022 13.606 -2.343 1.00 1.28 H new ATOM 0 HB3 LYS A 6 67.030 13.531 -4.094 1.00 1.28 H new ATOM 0 HG2 LYS A 6 64.889 12.636 -3.200 1.00 1.60 H new ATOM 0 HG3 LYS A 6 65.778 11.375 -4.032 1.00 1.60 H new ATOM 0 HD2 LYS A 6 66.811 10.839 -1.667 1.00 2.04 H new ATOM 0 HD3 LYS A 6 65.488 11.797 -1.031 1.00 2.04 H new ATOM 0 HE2 LYS A 6 63.847 10.322 -2.296 1.00 2.60 H new ATOM 0 HE3 LYS A 6 65.188 9.337 -2.847 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 64.873 8.269 -0.881 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 65.750 9.562 -0.215 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 64.052 9.575 -0.171 1.00 3.24 H new ATOM 87 N ALA A 7 69.955 13.760 -3.573 1.00 1.07 N ATOM 88 CA ALA A 7 71.042 14.405 -4.362 1.00 1.20 C ATOM 89 C ALA A 7 72.065 13.354 -4.801 1.00 1.08 C ATOM 90 O ALA A 7 72.550 13.372 -5.914 1.00 1.19 O ATOM 91 CB ALA A 7 71.684 15.410 -3.405 1.00 1.36 C ATOM 0 H ALA A 7 69.706 14.237 -2.706 1.00 1.07 H new ATOM 0 HA ALA A 7 70.669 14.886 -5.266 1.00 1.20 H new ATOM 0 HB1 ALA A 7 72.497 15.928 -3.913 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.936 16.135 -3.084 1.00 1.36 H new ATOM 0 HB3 ALA A 7 72.077 14.884 -2.535 1.00 1.36 H new ATOM 97 N ALA A 8 72.390 12.434 -3.935 1.00 0.95 N ATOM 98 CA ALA A 8 73.377 11.380 -4.304 1.00 0.96 C ATOM 99 C ALA A 8 72.716 10.345 -5.216 1.00 0.90 C ATOM 100 O ALA A 8 73.278 9.929 -6.210 1.00 1.01 O ATOM 101 CB ALA A 8 73.788 10.741 -2.977 1.00 0.98 C ATOM 0 H ALA A 8 72.015 12.366 -2.989 1.00 0.95 H new ATOM 0 HA ALA A 8 74.235 11.782 -4.843 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.516 9.952 -3.163 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.231 11.498 -2.330 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.910 10.317 -2.490 1.00 0.98 H new ATOM 107 N VAL A 9 71.522 9.932 -4.889 1.00 0.83 N ATOM 108 CA VAL A 9 70.820 8.930 -5.739 1.00 0.82 C ATOM 109 C VAL A 9 70.400 9.572 -7.065 1.00 0.97 C ATOM 110 O VAL A 9 69.943 8.906 -7.972 1.00 1.02 O ATOM 111 CB VAL A 9 69.593 8.512 -4.929 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.674 7.651 -5.798 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.041 7.704 -3.708 1.00 0.70 C ATOM 0 H VAL A 9 71.002 10.246 -4.069 1.00 0.83 H new ATOM 0 HA VAL A 9 71.452 8.076 -5.984 1.00 0.82 H new ATOM 0 HB VAL A 9 69.054 9.401 -4.602 1.00 0.84 H new ATOM 0 HG11 VAL A 9 67.800 7.354 -5.219 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.355 8.224 -6.669 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.212 6.761 -6.126 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.167 7.405 -3.129 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.580 6.815 -4.037 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.696 8.316 -3.087 1.00 0.70 H new ATOM 123 N GLU A 10 70.558 10.863 -7.182 1.00 1.12 N ATOM 124 CA GLU A 10 70.178 11.551 -8.446 1.00 1.32 C ATOM 125 C GLU A 10 71.365 11.533 -9.416 1.00 1.37 C ATOM 126 O GLU A 10 71.203 11.639 -10.615 1.00 1.56 O ATOM 127 CB GLU A 10 69.822 12.981 -8.011 1.00 1.51 C ATOM 128 CG GLU A 10 70.173 13.982 -9.115 1.00 1.80 C ATOM 129 CD GLU A 10 69.253 15.201 -9.016 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.353 15.174 -8.191 1.00 2.61 O ATOM 131 OE2 GLU A 10 69.463 16.140 -9.767 1.00 2.28 O ATOM 0 H GLU A 10 70.935 11.471 -6.454 1.00 1.12 H new ATOM 0 HA GLU A 10 69.347 11.075 -8.966 1.00 1.32 H new ATOM 0 HB2 GLU A 10 68.758 13.043 -7.781 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.361 13.234 -7.098 1.00 1.51 H new ATOM 0 HG2 GLU A 10 71.214 14.291 -9.022 1.00 1.80 H new ATOM 0 HG3 GLU A 10 70.067 13.512 -10.093 1.00 1.80 H new ATOM 138 N GLN A 11 72.556 11.394 -8.901 1.00 1.29 N ATOM 139 CA GLN A 11 73.755 11.365 -9.787 1.00 1.45 C ATOM 140 C GLN A 11 74.107 9.917 -10.144 1.00 1.35 C ATOM 141 O GLN A 11 75.092 9.653 -10.805 1.00 1.53 O ATOM 142 CB GLN A 11 74.873 12.000 -8.961 1.00 1.61 C ATOM 143 CG GLN A 11 75.338 13.292 -9.636 1.00 2.13 C ATOM 144 CD GLN A 11 76.210 14.091 -8.665 1.00 2.44 C ATOM 145 OE1 GLN A 11 77.353 14.380 -8.954 1.00 2.96 O ATOM 146 NE2 GLN A 11 75.714 14.460 -7.516 1.00 2.71 N ATOM 0 H GLN A 11 72.751 11.299 -7.904 1.00 1.29 H new ATOM 0 HA GLN A 11 73.591 11.896 -10.725 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.519 12.212 -7.952 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.708 11.306 -8.866 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.901 13.060 -10.540 1.00 2.13 H new ATOM 0 HG3 GLN A 11 74.476 13.886 -9.941 1.00 2.13 H new ATOM 0 HE21 GLN A 11 74.754 14.217 -7.273 1.00 2.71 H new ATOM 0 HE22 GLN A 11 76.287 14.991 -6.860 1.00 2.71 H new ATOM 155 N LEU A 12 73.310 8.980 -9.710 1.00 1.18 N ATOM 156 CA LEU A 12 73.599 7.551 -10.021 1.00 1.21 C ATOM 157 C LEU A 12 73.632 7.334 -11.536 1.00 1.11 C ATOM 158 O LEU A 12 73.692 8.272 -12.307 1.00 1.25 O ATOM 159 CB LEU A 12 72.443 6.766 -9.399 1.00 1.32 C ATOM 160 CG LEU A 12 72.792 6.387 -7.958 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.701 5.473 -7.395 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.133 5.649 -7.933 1.00 1.68 C ATOM 0 H LEU A 12 72.471 9.142 -9.153 1.00 1.18 H new ATOM 0 HA LEU A 12 74.566 7.235 -9.631 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.533 7.365 -9.417 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.245 5.868 -9.984 1.00 1.32 H new ATOM 0 HG LEU A 12 72.862 7.290 -7.352 1.00 1.38 H new ATOM 0 HD11 LEU A 12 71.948 5.202 -6.368 1.00 1.49 H new ATOM 0 HD12 LEU A 12 70.744 5.995 -7.413 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.633 4.571 -8.002 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.381 5.379 -6.906 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.062 4.745 -8.538 1.00 1.68 H new ATOM 0 HD23 LEU A 12 74.912 6.296 -8.336 1.00 1.68 H new ATOM 174 N THR A 13 73.589 6.105 -11.967 1.00 1.05 N ATOM 175 CA THR A 13 73.613 5.826 -13.430 1.00 1.13 C ATOM 176 C THR A 13 72.423 4.941 -13.814 1.00 0.94 C ATOM 177 O THR A 13 72.051 4.040 -13.091 1.00 0.87 O ATOM 178 CB THR A 13 74.931 5.089 -13.671 1.00 1.38 C ATOM 179 OG1 THR A 13 75.178 4.196 -12.592 1.00 1.89 O ATOM 180 CG2 THR A 13 76.074 6.103 -13.768 1.00 1.68 C ATOM 0 H THR A 13 73.538 5.280 -11.369 1.00 1.05 H new ATOM 0 HA THR A 13 73.541 6.735 -14.028 1.00 1.13 H new ATOM 0 HB THR A 13 74.867 4.525 -14.602 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.022 3.722 -12.746 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.013 5.577 -13.940 1.00 1.68 H new ATOM 0 HG22 THR A 13 75.884 6.787 -14.595 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.139 6.668 -12.838 1.00 1.68 H new ATOM 188 N GLU A 14 71.821 5.194 -14.943 1.00 0.94 N ATOM 189 CA GLU A 14 70.654 4.368 -15.366 1.00 0.90 C ATOM 190 C GLU A 14 70.926 2.886 -15.097 1.00 0.82 C ATOM 191 O GLU A 14 70.017 2.103 -14.904 1.00 0.82 O ATOM 192 CB GLU A 14 70.513 4.624 -16.866 1.00 1.05 C ATOM 193 CG GLU A 14 69.048 4.473 -17.275 1.00 2.10 C ATOM 194 CD GLU A 14 68.936 4.514 -18.800 1.00 2.64 C ATOM 195 OE1 GLU A 14 69.833 5.056 -19.426 1.00 3.31 O ATOM 196 OE2 GLU A 14 67.956 4.003 -19.317 1.00 2.91 O ATOM 0 H GLU A 14 72.086 5.936 -15.591 1.00 0.94 H new ATOM 0 HA GLU A 14 69.746 4.626 -14.820 1.00 0.90 H new ATOM 0 HB2 GLU A 14 70.868 5.625 -17.109 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.132 3.922 -17.425 1.00 1.05 H new ATOM 0 HG2 GLU A 14 68.649 3.532 -16.896 1.00 2.10 H new ATOM 0 HG3 GLU A 14 68.452 5.273 -16.835 1.00 2.10 H new ATOM 203 N GLU A 15 72.171 2.492 -15.084 1.00 0.92 N ATOM 204 CA GLU A 15 72.496 1.060 -14.828 1.00 1.01 C ATOM 205 C GLU A 15 72.379 0.749 -13.333 1.00 0.90 C ATOM 206 O GLU A 15 72.146 -0.376 -12.939 1.00 0.89 O ATOM 207 CB GLU A 15 73.941 0.892 -15.298 1.00 1.23 C ATOM 208 CG GLU A 15 73.953 0.362 -16.734 1.00 1.92 C ATOM 209 CD GLU A 15 74.624 -1.012 -16.764 1.00 2.37 C ATOM 210 OE1 GLU A 15 75.830 -1.064 -16.587 1.00 2.80 O ATOM 211 OE2 GLU A 15 73.922 -1.989 -16.965 1.00 2.90 O ATOM 0 H GLU A 15 72.976 3.099 -15.239 1.00 0.92 H new ATOM 0 HA GLU A 15 71.817 0.384 -15.347 1.00 1.01 H new ATOM 0 HB2 GLU A 15 74.464 1.847 -15.247 1.00 1.23 H new ATOM 0 HB3 GLU A 15 74.471 0.203 -14.640 1.00 1.23 H new ATOM 0 HG2 GLU A 15 72.934 0.290 -17.115 1.00 1.92 H new ATOM 0 HG3 GLU A 15 74.488 1.054 -17.384 1.00 1.92 H new ATOM 218 N GLN A 16 72.540 1.740 -12.498 1.00 0.89 N ATOM 219 CA GLN A 16 72.438 1.502 -11.030 1.00 0.87 C ATOM 220 C GLN A 16 70.977 1.593 -10.580 1.00 0.68 C ATOM 221 O GLN A 16 70.510 0.797 -9.789 1.00 0.67 O ATOM 222 CB GLN A 16 73.267 2.617 -10.391 1.00 0.97 C ATOM 223 CG GLN A 16 73.417 2.344 -8.894 1.00 1.77 C ATOM 224 CD GLN A 16 74.769 1.679 -8.629 1.00 2.15 C ATOM 225 OE1 GLN A 16 74.827 0.526 -8.249 1.00 2.42 O ATOM 226 NE2 GLN A 16 75.866 2.361 -8.811 1.00 2.61 N ATOM 0 H GLN A 16 72.738 2.703 -12.769 1.00 0.89 H new ATOM 0 HA GLN A 16 72.796 0.513 -10.745 1.00 0.87 H new ATOM 0 HB2 GLN A 16 74.248 2.671 -10.862 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.784 3.581 -10.549 1.00 0.97 H new ATOM 0 HG2 GLN A 16 73.343 3.276 -8.334 1.00 1.77 H new ATOM 0 HG3 GLN A 16 72.609 1.699 -8.548 1.00 1.77 H new ATOM 0 HE21 GLN A 16 75.818 3.329 -9.130 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.772 1.927 -8.634 1.00 2.61 H new ATOM 235 N LYS A 17 70.252 2.559 -11.077 1.00 0.63 N ATOM 236 CA LYS A 17 68.822 2.699 -10.676 1.00 0.62 C ATOM 237 C LYS A 17 68.022 1.477 -11.138 1.00 0.60 C ATOM 238 O LYS A 17 67.214 0.939 -10.408 1.00 0.66 O ATOM 239 CB LYS A 17 68.331 3.961 -11.388 1.00 0.74 C ATOM 240 CG LYS A 17 67.529 4.819 -10.408 1.00 1.21 C ATOM 241 CD LYS A 17 68.489 5.595 -9.502 1.00 1.31 C ATOM 242 CE LYS A 17 68.721 6.992 -10.083 1.00 1.43 C ATOM 243 NZ LYS A 17 67.408 7.687 -9.963 1.00 2.06 N ATOM 0 H LYS A 17 70.587 3.256 -11.742 1.00 0.63 H new ATOM 0 HA LYS A 17 68.701 2.769 -9.595 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.179 4.527 -11.774 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.712 3.691 -12.243 1.00 0.74 H new ATOM 0 HG2 LYS A 17 66.889 5.511 -10.955 1.00 1.21 H new ATOM 0 HG3 LYS A 17 66.875 4.187 -9.806 1.00 1.21 H new ATOM 0 HD2 LYS A 17 68.075 5.672 -8.496 1.00 1.31 H new ATOM 0 HD3 LYS A 17 69.436 5.063 -9.417 1.00 1.31 H new ATOM 0 HE2 LYS A 17 69.499 7.523 -9.534 1.00 1.43 H new ATOM 0 HE3 LYS A 17 69.044 6.938 -11.122 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 66.996 7.816 -10.909 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 66.764 7.115 -9.380 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.546 8.616 -9.516 1.00 2.06 H new ATOM 257 N ASN A 18 68.243 1.037 -12.347 1.00 0.70 N ATOM 258 CA ASN A 18 67.498 -0.150 -12.857 1.00 0.85 C ATOM 259 C ASN A 18 67.839 -1.386 -12.020 1.00 0.70 C ATOM 260 O ASN A 18 67.047 -2.298 -11.888 1.00 0.66 O ATOM 261 CB ASN A 18 67.977 -0.326 -14.299 1.00 1.11 C ATOM 262 CG ASN A 18 67.011 0.388 -15.248 1.00 1.68 C ATOM 263 OD1 ASN A 18 65.901 -0.060 -15.452 1.00 2.15 O ATOM 264 ND2 ASN A 18 67.390 1.488 -15.841 1.00 2.13 N ATOM 0 H ASN A 18 68.907 1.448 -13.004 1.00 0.70 H new ATOM 0 HA ASN A 18 66.417 -0.018 -12.801 1.00 0.85 H new ATOM 0 HB2 ASN A 18 68.982 0.081 -14.412 1.00 1.11 H new ATOM 0 HB3 ASN A 18 68.032 -1.386 -14.548 1.00 1.11 H new ATOM 0 HD21 ASN A 18 66.754 1.971 -16.475 1.00 2.13 H new ATOM 0 HD22 ASN A 18 68.322 1.865 -15.670 1.00 2.13 H new ATOM 271 N GLU A 19 69.013 -1.422 -11.450 1.00 0.76 N ATOM 272 CA GLU A 19 69.405 -2.597 -10.619 1.00 0.79 C ATOM 273 C GLU A 19 68.695 -2.543 -9.264 1.00 0.65 C ATOM 274 O GLU A 19 68.264 -3.549 -8.737 1.00 0.66 O ATOM 275 CB GLU A 19 70.917 -2.464 -10.438 1.00 0.98 C ATOM 276 CG GLU A 19 71.611 -3.698 -11.016 1.00 1.21 C ATOM 277 CD GLU A 19 73.002 -3.841 -10.394 1.00 1.82 C ATOM 278 OE1 GLU A 19 73.232 -3.235 -9.360 1.00 2.44 O ATOM 279 OE2 GLU A 19 73.812 -4.554 -10.961 1.00 2.53 O ATOM 0 H GLU A 19 69.718 -0.689 -11.524 1.00 0.76 H new ATOM 0 HA GLU A 19 69.132 -3.544 -11.084 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.276 -1.564 -10.938 1.00 0.98 H new ATOM 0 HB3 GLU A 19 71.159 -2.359 -9.380 1.00 0.98 H new ATOM 0 HG2 GLU A 19 71.018 -4.590 -10.814 1.00 1.21 H new ATOM 0 HG3 GLU A 19 71.693 -3.608 -12.099 1.00 1.21 H new ATOM 286 N PHE A 20 68.571 -1.374 -8.697 1.00 0.67 N ATOM 287 CA PHE A 20 67.887 -1.253 -7.377 1.00 0.75 C ATOM 288 C PHE A 20 66.369 -1.258 -7.571 1.00 0.66 C ATOM 289 O PHE A 20 65.657 -2.019 -6.948 1.00 0.79 O ATOM 290 CB PHE A 20 68.354 0.089 -6.813 1.00 0.97 C ATOM 291 CG PHE A 20 69.815 0.000 -6.447 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.304 -1.133 -5.784 1.00 2.24 C ATOM 293 CD2 PHE A 20 70.684 1.049 -6.770 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.660 -1.216 -5.446 1.00 3.29 C ATOM 295 CE2 PHE A 20 72.040 0.965 -6.431 1.00 3.36 C ATOM 296 CZ PHE A 20 72.528 -0.167 -5.769 1.00 3.69 C ATOM 0 H PHE A 20 68.913 -0.497 -9.090 1.00 0.67 H new ATOM 0 HA PHE A 20 68.124 -2.080 -6.707 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.200 0.878 -7.549 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.764 0.352 -5.935 1.00 0.97 H new ATOM 0 HD1 PHE A 20 69.635 -1.943 -5.534 1.00 2.24 H new ATOM 0 HD2 PHE A 20 70.308 1.923 -7.281 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.036 -2.090 -4.936 1.00 3.29 H new ATOM 0 HE2 PHE A 20 72.710 1.775 -6.681 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.574 -0.231 -5.507 1.00 3.69 H new ATOM 306 N LYS A 21 65.870 -0.417 -8.435 1.00 0.60 N ATOM 307 CA LYS A 21 64.400 -0.380 -8.671 1.00 0.65 C ATOM 308 C LYS A 21 63.881 -1.791 -8.957 1.00 0.57 C ATOM 309 O LYS A 21 62.930 -2.248 -8.356 1.00 0.57 O ATOM 310 CB LYS A 21 64.222 0.515 -9.895 1.00 0.78 C ATOM 311 CG LYS A 21 62.876 1.232 -9.812 1.00 1.27 C ATOM 312 CD LYS A 21 62.677 2.077 -11.069 1.00 1.58 C ATOM 313 CE LYS A 21 63.332 3.446 -10.872 1.00 2.42 C ATOM 314 NZ LYS A 21 62.198 4.385 -10.654 1.00 2.88 N ATOM 0 H LYS A 21 66.416 0.245 -8.987 1.00 0.60 H new ATOM 0 HA LYS A 21 63.848 -0.005 -7.809 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.031 1.243 -9.947 1.00 0.78 H new ATOM 0 HB3 LYS A 21 64.272 -0.082 -10.805 1.00 0.78 H new ATOM 0 HG2 LYS A 21 62.069 0.506 -9.717 1.00 1.27 H new ATOM 0 HG3 LYS A 21 62.842 1.865 -8.925 1.00 1.27 H new ATOM 0 HD2 LYS A 21 63.114 1.574 -11.931 1.00 1.58 H new ATOM 0 HD3 LYS A 21 61.613 2.197 -11.275 1.00 1.58 H new ATOM 0 HE2 LYS A 21 64.010 3.440 -10.019 1.00 2.42 H new ATOM 0 HE3 LYS A 21 63.920 3.732 -11.744 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 62.345 5.245 -11.221 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 61.309 3.929 -10.942 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 62.146 4.639 -9.647 1.00 2.88 H new ATOM 328 N ALA A 22 64.505 -2.484 -9.870 1.00 0.59 N ATOM 329 CA ALA A 22 64.057 -3.867 -10.193 1.00 0.62 C ATOM 330 C ALA A 22 64.312 -4.783 -8.997 1.00 0.50 C ATOM 331 O ALA A 22 63.399 -5.358 -8.438 1.00 0.50 O ATOM 332 CB ALA A 22 64.910 -4.291 -11.389 1.00 0.76 C ATOM 0 H ALA A 22 65.306 -2.151 -10.406 1.00 0.59 H new ATOM 0 HA ALA A 22 62.992 -3.921 -10.419 1.00 0.62 H new ATOM 0 HB1 ALA A 22 64.639 -5.303 -11.689 1.00 0.76 H new ATOM 0 HB2 ALA A 22 64.736 -3.608 -12.220 1.00 0.76 H new ATOM 0 HB3 ALA A 22 65.964 -4.264 -11.112 1.00 0.76 H new ATOM 338 N ALA A 23 65.546 -4.915 -8.592 1.00 0.50 N ATOM 339 CA ALA A 23 65.850 -5.785 -7.424 1.00 0.53 C ATOM 340 C ALA A 23 64.839 -5.509 -6.311 1.00 0.46 C ATOM 341 O ALA A 23 64.262 -6.415 -5.742 1.00 0.52 O ATOM 342 CB ALA A 23 67.258 -5.386 -6.985 1.00 0.64 C ATOM 0 H ALA A 23 66.353 -4.459 -9.018 1.00 0.50 H new ATOM 0 HA ALA A 23 65.792 -6.847 -7.662 1.00 0.53 H new ATOM 0 HB1 ALA A 23 67.555 -5.986 -6.125 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.956 -5.556 -7.804 1.00 0.64 H new ATOM 0 HB3 ALA A 23 67.269 -4.331 -6.712 1.00 0.64 H new ATOM 348 N PHE A 24 64.611 -4.261 -6.008 1.00 0.47 N ATOM 349 CA PHE A 24 63.627 -3.924 -4.944 1.00 0.57 C ATOM 350 C PHE A 24 62.343 -4.724 -5.167 1.00 0.48 C ATOM 351 O PHE A 24 61.890 -5.444 -4.301 1.00 0.51 O ATOM 352 CB PHE A 24 63.364 -2.426 -5.104 1.00 0.77 C ATOM 353 CG PHE A 24 62.135 -2.040 -4.316 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.859 -2.278 -4.844 1.00 1.54 C ATOM 355 CD2 PHE A 24 62.270 -1.445 -3.056 1.00 1.58 C ATOM 356 CE1 PHE A 24 59.721 -1.921 -4.112 1.00 1.62 C ATOM 357 CE2 PHE A 24 61.131 -1.088 -2.324 1.00 1.72 C ATOM 358 CZ PHE A 24 59.857 -1.326 -2.852 1.00 1.25 C ATOM 0 H PHE A 24 65.063 -3.461 -6.451 1.00 0.47 H new ATOM 0 HA PHE A 24 63.990 -4.162 -3.944 1.00 0.57 H new ATOM 0 HB2 PHE A 24 64.225 -1.856 -4.756 1.00 0.77 H new ATOM 0 HB3 PHE A 24 63.225 -2.181 -6.157 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.754 -2.737 -5.816 1.00 1.54 H new ATOM 0 HD2 PHE A 24 63.253 -1.261 -2.648 1.00 1.58 H new ATOM 0 HE1 PHE A 24 58.738 -2.105 -4.519 1.00 1.62 H new ATOM 0 HE2 PHE A 24 61.236 -0.629 -1.352 1.00 1.72 H new ATOM 0 HZ PHE A 24 58.979 -1.051 -2.287 1.00 1.25 H new ATOM 368 N ASP A 25 61.763 -4.612 -6.331 1.00 0.45 N ATOM 369 CA ASP A 25 60.514 -5.372 -6.620 1.00 0.53 C ATOM 370 C ASP A 25 60.808 -6.874 -6.622 1.00 0.52 C ATOM 371 O ASP A 25 60.183 -7.640 -5.915 1.00 0.60 O ATOM 372 CB ASP A 25 60.076 -4.909 -8.010 1.00 0.66 C ATOM 373 CG ASP A 25 58.570 -5.121 -8.169 1.00 0.98 C ATOM 374 OD1 ASP A 25 57.972 -5.676 -7.261 1.00 1.55 O ATOM 375 OD2 ASP A 25 58.041 -4.726 -9.194 1.00 1.52 O ATOM 0 H ASP A 25 62.101 -4.026 -7.095 1.00 0.45 H new ATOM 0 HA ASP A 25 59.739 -5.196 -5.874 1.00 0.53 H new ATOM 0 HB2 ASP A 25 60.322 -3.856 -8.148 1.00 0.66 H new ATOM 0 HB3 ASP A 25 60.615 -5.466 -8.777 1.00 0.66 H new ATOM 380 N ILE A 26 61.759 -7.299 -7.408 1.00 0.50 N ATOM 381 CA ILE A 26 62.098 -8.751 -7.449 1.00 0.63 C ATOM 382 C ILE A 26 62.201 -9.297 -6.025 1.00 0.70 C ATOM 383 O ILE A 26 61.955 -10.461 -5.774 1.00 0.94 O ATOM 384 CB ILE A 26 63.455 -8.822 -8.148 1.00 0.68 C ATOM 385 CG1 ILE A 26 63.318 -8.307 -9.582 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.943 -10.271 -8.173 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.685 -7.854 -10.096 1.00 0.69 C ATOM 0 H ILE A 26 62.316 -6.705 -8.023 1.00 0.50 H new ATOM 0 HA ILE A 26 61.343 -9.341 -7.969 1.00 0.63 H new ATOM 0 HB ILE A 26 64.173 -8.206 -7.607 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.918 -9.092 -10.224 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.612 -7.477 -9.615 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.911 -10.320 -8.672 1.00 0.94 H new ATOM 0 HG22 ILE A 26 64.042 -10.639 -7.152 1.00 0.94 H new ATOM 0 HG23 ILE A 26 63.225 -10.888 -8.713 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.586 -7.487 -11.118 1.00 0.69 H new ATOM 0 HD12 ILE A 26 65.067 -7.056 -9.459 1.00 0.69 H new ATOM 0 HD13 ILE A 26 65.378 -8.695 -10.078 1.00 0.69 H new ATOM 399 N PHE A 27 62.563 -8.462 -5.092 1.00 0.61 N ATOM 400 CA PHE A 27 62.682 -8.923 -3.681 1.00 0.79 C ATOM 401 C PHE A 27 61.410 -8.572 -2.905 1.00 0.76 C ATOM 402 O PHE A 27 61.123 -9.145 -1.873 1.00 1.03 O ATOM 403 CB PHE A 27 63.882 -8.161 -3.117 1.00 0.91 C ATOM 404 CG PHE A 27 65.146 -8.950 -3.362 1.00 1.45 C ATOM 405 CD1 PHE A 27 65.521 -9.962 -2.472 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.944 -8.666 -4.477 1.00 2.23 C ATOM 407 CE1 PHE A 27 66.694 -10.694 -2.696 1.00 2.83 C ATOM 408 CE2 PHE A 27 67.118 -9.397 -4.701 1.00 3.07 C ATOM 409 CZ PHE A 27 67.493 -10.411 -3.811 1.00 3.21 C ATOM 0 H PHE A 27 62.782 -7.478 -5.246 1.00 0.61 H new ATOM 0 HA PHE A 27 62.813 -10.002 -3.606 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.957 -7.181 -3.588 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.748 -7.992 -2.048 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.906 -10.179 -1.611 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.655 -7.884 -5.164 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.982 -11.476 -2.009 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.734 -9.178 -5.561 1.00 3.07 H new ATOM 0 HZ PHE A 27 68.398 -10.975 -3.984 1.00 3.21 H new ATOM 419 N VAL A 28 60.645 -7.633 -3.394 1.00 0.63 N ATOM 420 CA VAL A 28 59.393 -7.247 -2.683 1.00 0.65 C ATOM 421 C VAL A 28 58.239 -8.156 -3.117 1.00 0.65 C ATOM 422 O VAL A 28 57.097 -7.906 -2.798 1.00 0.74 O ATOM 423 CB VAL A 28 59.149 -5.775 -3.075 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.729 -5.563 -3.618 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.342 -4.898 -1.842 1.00 1.47 C ATOM 0 H VAL A 28 60.833 -7.118 -4.254 1.00 0.63 H new ATOM 0 HA VAL A 28 59.469 -7.356 -1.601 1.00 0.65 H new ATOM 0 HB VAL A 28 59.858 -5.508 -3.859 1.00 0.68 H new ATOM 0 HG11 VAL A 28 57.594 -4.515 -3.884 1.00 1.10 H new ATOM 0 HG12 VAL A 28 57.581 -6.183 -4.502 1.00 1.10 H new ATOM 0 HG13 VAL A 28 57.002 -5.840 -2.854 1.00 1.10 H new ATOM 0 HG21 VAL A 28 59.172 -3.855 -2.107 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.634 -5.196 -1.069 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.359 -5.016 -1.467 1.00 1.47 H new ATOM 435 N LEU A 29 58.528 -9.204 -3.840 1.00 0.92 N ATOM 436 CA LEU A 29 57.439 -10.120 -4.286 1.00 0.99 C ATOM 437 C LEU A 29 56.576 -10.516 -3.087 1.00 0.99 C ATOM 438 O LEU A 29 56.818 -11.510 -2.432 1.00 1.10 O ATOM 439 CB LEU A 29 58.156 -11.338 -4.865 1.00 1.43 C ATOM 440 CG LEU A 29 58.026 -11.324 -6.388 1.00 1.74 C ATOM 441 CD1 LEU A 29 56.547 -11.243 -6.770 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.763 -10.106 -6.950 1.00 2.45 C ATOM 0 H LEU A 29 59.467 -9.465 -4.140 1.00 0.92 H new ATOM 0 HA LEU A 29 56.777 -9.659 -5.019 1.00 0.99 H new ATOM 0 HB2 LEU A 29 59.208 -11.326 -4.578 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.726 -12.254 -4.460 1.00 1.43 H new ATOM 0 HG LEU A 29 58.460 -12.235 -6.800 1.00 1.74 H new ATOM 0 HD11 LEU A 29 56.452 -11.233 -7.856 1.00 2.11 H new ATOM 0 HD12 LEU A 29 56.019 -12.108 -6.367 1.00 2.11 H new ATOM 0 HD13 LEU A 29 56.115 -10.331 -6.359 1.00 2.11 H new ATOM 0 HD21 LEU A 29 58.671 -10.094 -8.036 1.00 2.45 H new ATOM 0 HD22 LEU A 29 58.327 -9.195 -6.539 1.00 2.45 H new ATOM 0 HD23 LEU A 29 59.816 -10.160 -6.675 1.00 2.45 H new ATOM 454 N GLY A 30 55.579 -9.730 -2.784 1.00 1.16 N ATOM 455 CA GLY A 30 54.710 -10.040 -1.618 1.00 1.58 C ATOM 456 C GLY A 30 55.068 -9.094 -0.471 1.00 1.39 C ATOM 457 O GLY A 30 54.214 -8.439 0.092 1.00 1.89 O ATOM 0 H GLY A 30 55.330 -8.884 -3.297 1.00 1.16 H new ATOM 0 HA2 GLY A 30 53.660 -9.925 -1.888 1.00 1.58 H new ATOM 0 HA3 GLY A 30 54.848 -11.076 -1.310 1.00 1.58 H new ATOM 461 N ALA A 31 56.333 -9.009 -0.137 1.00 0.90 N ATOM 462 CA ALA A 31 56.771 -8.101 0.966 1.00 0.95 C ATOM 463 C ALA A 31 55.733 -8.071 2.090 1.00 1.15 C ATOM 464 O ALA A 31 54.931 -8.973 2.236 1.00 1.41 O ATOM 465 CB ALA A 31 56.896 -6.723 0.314 1.00 0.97 C ATOM 0 H ALA A 31 57.084 -9.534 -0.585 1.00 0.90 H new ATOM 0 HA ALA A 31 57.707 -8.430 1.418 1.00 0.95 H new ATOM 0 HB1 ALA A 31 57.215 -5.995 1.060 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.632 -6.766 -0.489 1.00 0.97 H new ATOM 0 HB3 ALA A 31 55.930 -6.425 -0.094 1.00 0.97 H new ATOM 471 N GLU A 32 55.740 -7.036 2.881 1.00 1.35 N ATOM 472 CA GLU A 32 54.750 -6.936 3.991 1.00 1.90 C ATOM 473 C GLU A 32 53.705 -5.876 3.642 1.00 2.05 C ATOM 474 O GLU A 32 52.557 -5.965 4.029 1.00 2.79 O ATOM 475 CB GLU A 32 55.567 -6.511 5.213 1.00 2.37 C ATOM 476 CG GLU A 32 55.971 -7.749 6.014 1.00 2.44 C ATOM 477 CD GLU A 32 54.969 -7.976 7.148 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.956 -8.609 6.900 1.00 3.29 O ATOM 479 OE2 GLU A 32 55.231 -7.511 8.244 1.00 3.24 O ATOM 0 H GLU A 32 56.389 -6.253 2.808 1.00 1.35 H new ATOM 0 HA GLU A 32 54.218 -7.870 4.171 1.00 1.90 H new ATOM 0 HB2 GLU A 32 56.455 -5.964 4.897 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.982 -5.836 5.838 1.00 2.37 H new ATOM 0 HG2 GLU A 32 56.002 -8.622 5.362 1.00 2.44 H new ATOM 0 HG3 GLU A 32 56.974 -7.620 6.421 1.00 2.44 H new ATOM 486 N ASP A 33 54.102 -4.876 2.903 1.00 1.80 N ATOM 487 CA ASP A 33 53.145 -3.804 2.511 1.00 2.11 C ATOM 488 C ASP A 33 53.619 -3.128 1.220 1.00 1.47 C ATOM 489 O ASP A 33 53.226 -2.023 0.904 1.00 1.80 O ATOM 490 CB ASP A 33 53.158 -2.812 3.675 1.00 3.12 C ATOM 491 CG ASP A 33 54.591 -2.342 3.930 1.00 3.68 C ATOM 492 OD1 ASP A 33 55.445 -2.634 3.110 1.00 4.12 O ATOM 493 OD2 ASP A 33 54.810 -1.697 4.943 1.00 4.09 O ATOM 0 H ASP A 33 55.052 -4.756 2.553 1.00 1.80 H new ATOM 0 HA ASP A 33 52.143 -4.190 2.321 1.00 2.11 H new ATOM 0 HB2 ASP A 33 52.520 -1.959 3.446 1.00 3.12 H new ATOM 0 HB3 ASP A 33 52.753 -3.282 4.571 1.00 3.12 H new ATOM 498 N GLY A 34 54.467 -3.787 0.476 1.00 1.10 N ATOM 499 CA GLY A 34 54.976 -3.187 -0.792 1.00 1.40 C ATOM 500 C GLY A 34 56.320 -2.510 -0.526 1.00 1.17 C ATOM 501 O GLY A 34 56.678 -1.543 -1.170 1.00 1.39 O ATOM 0 H GLY A 34 54.830 -4.716 0.692 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.089 -3.959 -1.553 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.260 -2.461 -1.178 1.00 1.40 H new ATOM 505 N SER A 35 57.067 -3.010 0.421 1.00 0.84 N ATOM 506 CA SER A 35 58.391 -2.399 0.733 1.00 0.70 C ATOM 507 C SER A 35 59.382 -3.485 1.163 1.00 0.67 C ATOM 508 O SER A 35 59.143 -4.662 0.984 1.00 0.80 O ATOM 509 CB SER A 35 58.119 -1.433 1.885 1.00 0.75 C ATOM 510 OG SER A 35 57.078 -0.538 1.514 1.00 1.04 O ATOM 0 H SER A 35 56.817 -3.817 0.993 1.00 0.84 H new ATOM 0 HA SER A 35 58.828 -1.892 -0.127 1.00 0.70 H new ATOM 0 HB2 SER A 35 57.836 -1.987 2.780 1.00 0.75 H new ATOM 0 HB3 SER A 35 59.024 -0.876 2.128 1.00 0.75 H new ATOM 0 HG SER A 35 56.222 -0.873 1.854 1.00 1.04 H new ATOM 516 N ILE A 36 60.493 -3.099 1.728 1.00 0.69 N ATOM 517 CA ILE A 36 61.498 -4.114 2.169 1.00 0.78 C ATOM 518 C ILE A 36 61.976 -3.785 3.586 1.00 0.71 C ATOM 519 O ILE A 36 62.683 -2.820 3.804 1.00 0.98 O ATOM 520 CB ILE A 36 62.676 -4.027 1.179 1.00 1.00 C ATOM 521 CG1 ILE A 36 62.258 -3.301 -0.107 1.00 1.09 C ATOM 522 CG2 ILE A 36 63.138 -5.440 0.821 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.433 -3.283 -1.087 1.00 1.22 C ATOM 0 H ILE A 36 60.750 -2.128 1.904 1.00 0.69 H new ATOM 0 HA ILE A 36 61.071 -5.117 2.182 1.00 0.78 H new ATOM 0 HB ILE A 36 63.484 -3.469 1.652 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.402 -3.802 -0.558 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.946 -2.282 0.123 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.971 -5.384 0.121 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.458 -5.958 1.725 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.314 -5.987 0.362 1.00 1.36 H new ATOM 0 HD11 ILE A 36 63.137 -2.768 -2.001 1.00 1.22 H new ATOM 0 HD12 ILE A 36 64.277 -2.763 -0.634 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.724 -4.306 -1.326 1.00 1.22 H new ATOM 535 N SER A 37 61.594 -4.574 4.551 1.00 0.87 N ATOM 536 CA SER A 37 62.025 -4.300 5.952 1.00 0.87 C ATOM 537 C SER A 37 63.398 -4.922 6.218 1.00 0.76 C ATOM 538 O SER A 37 63.795 -5.873 5.576 1.00 0.87 O ATOM 539 CB SER A 37 60.955 -4.950 6.831 1.00 1.12 C ATOM 540 OG SER A 37 61.502 -6.094 7.475 1.00 1.52 O ATOM 0 H SER A 37 61.002 -5.396 4.431 1.00 0.87 H new ATOM 0 HA SER A 37 62.121 -3.233 6.153 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.597 -4.237 7.574 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.096 -5.237 6.225 1.00 1.12 H new ATOM 0 HG SER A 37 60.957 -6.321 8.257 1.00 1.52 H new ATOM 546 N THR A 38 64.124 -4.393 7.163 1.00 0.71 N ATOM 547 CA THR A 38 65.471 -4.953 7.475 1.00 0.65 C ATOM 548 C THR A 38 65.404 -6.479 7.573 1.00 0.70 C ATOM 549 O THR A 38 66.393 -7.164 7.402 1.00 1.37 O ATOM 550 CB THR A 38 65.853 -4.344 8.822 1.00 0.76 C ATOM 551 OG1 THR A 38 66.935 -5.075 9.379 1.00 1.55 O ATOM 552 CG2 THR A 38 64.654 -4.407 9.761 1.00 1.00 C ATOM 0 H THR A 38 63.843 -3.596 7.734 1.00 0.71 H new ATOM 0 HA THR A 38 66.202 -4.719 6.701 1.00 0.65 H new ATOM 0 HB THR A 38 66.152 -3.305 8.685 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.741 -4.926 8.842 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.923 -3.973 10.724 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.824 -3.847 9.330 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.356 -5.446 9.902 1.00 1.00 H new ATOM 560 N LYS A 39 64.247 -7.019 7.843 1.00 0.60 N ATOM 561 CA LYS A 39 64.124 -8.501 7.947 1.00 0.66 C ATOM 562 C LYS A 39 63.951 -9.105 6.551 1.00 0.64 C ATOM 563 O LYS A 39 64.364 -10.216 6.286 1.00 0.87 O ATOM 564 CB LYS A 39 62.875 -8.738 8.796 1.00 0.81 C ATOM 565 CG LYS A 39 62.577 -10.238 8.855 1.00 1.42 C ATOM 566 CD LYS A 39 63.854 -10.999 9.214 1.00 1.58 C ATOM 567 CE LYS A 39 63.485 -12.359 9.809 1.00 2.15 C ATOM 568 NZ LYS A 39 62.745 -13.064 8.724 1.00 2.80 N ATOM 0 H LYS A 39 63.383 -6.499 7.996 1.00 0.60 H new ATOM 0 HA LYS A 39 65.006 -8.964 8.391 1.00 0.66 H new ATOM 0 HB2 LYS A 39 63.026 -8.346 9.802 1.00 0.81 H new ATOM 0 HB3 LYS A 39 62.026 -8.204 8.370 1.00 0.81 H new ATOM 0 HG2 LYS A 39 61.802 -10.437 9.596 1.00 1.42 H new ATOM 0 HG3 LYS A 39 62.195 -10.581 7.894 1.00 1.42 H new ATOM 0 HD2 LYS A 39 64.472 -11.134 8.326 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.444 -10.425 9.929 1.00 1.58 H new ATOM 0 HE2 LYS A 39 64.374 -12.915 10.106 1.00 2.15 H new ATOM 0 HE3 LYS A 39 62.867 -12.246 10.700 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 62.782 -14.090 8.889 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 61.754 -12.749 8.719 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 63.183 -12.845 7.806 1.00 2.80 H new ATOM 582 N GLU A 40 63.347 -8.373 5.657 1.00 0.63 N ATOM 583 CA GLU A 40 63.147 -8.889 4.274 1.00 0.68 C ATOM 584 C GLU A 40 64.183 -8.256 3.334 1.00 0.66 C ATOM 585 O GLU A 40 64.580 -8.841 2.347 1.00 0.83 O ATOM 586 CB GLU A 40 61.706 -8.479 3.917 1.00 0.86 C ATOM 587 CG GLU A 40 61.626 -7.928 2.488 1.00 1.05 C ATOM 588 CD GLU A 40 62.138 -8.979 1.502 1.00 1.54 C ATOM 589 OE1 GLU A 40 62.062 -10.153 1.827 1.00 1.92 O ATOM 590 OE2 GLU A 40 62.596 -8.593 0.439 1.00 2.32 O ATOM 0 H GLU A 40 62.982 -7.436 5.825 1.00 0.63 H new ATOM 0 HA GLU A 40 63.280 -9.967 4.185 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.045 -9.340 4.016 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.354 -7.725 4.621 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.597 -7.661 2.248 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.220 -7.018 2.405 1.00 1.05 H new ATOM 597 N LEU A 41 64.626 -7.068 3.642 1.00 0.73 N ATOM 598 CA LEU A 41 65.636 -6.398 2.776 1.00 0.80 C ATOM 599 C LEU A 41 67.028 -6.966 3.067 1.00 0.72 C ATOM 600 O LEU A 41 67.922 -6.898 2.247 1.00 0.81 O ATOM 601 CB LEU A 41 65.570 -4.918 3.157 1.00 1.10 C ATOM 602 CG LEU A 41 66.806 -4.195 2.621 1.00 1.23 C ATOM 603 CD1 LEU A 41 66.396 -2.839 2.046 1.00 1.94 C ATOM 604 CD2 LEU A 41 67.804 -3.980 3.762 1.00 1.83 C ATOM 0 H LEU A 41 64.331 -6.532 4.458 1.00 0.73 H new ATOM 0 HA LEU A 41 65.441 -6.551 1.715 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.666 -4.467 2.748 1.00 1.10 H new ATOM 0 HB3 LEU A 41 65.516 -4.813 4.241 1.00 1.10 H new ATOM 0 HG LEU A 41 67.268 -4.798 1.839 1.00 1.23 H new ATOM 0 HD11 LEU A 41 67.278 -2.324 1.664 1.00 1.94 H new ATOM 0 HD12 LEU A 41 65.683 -2.988 1.235 1.00 1.94 H new ATOM 0 HD13 LEU A 41 65.935 -2.237 2.828 1.00 1.94 H new ATOM 0 HD21 LEU A 41 68.686 -3.465 3.382 1.00 1.83 H new ATOM 0 HD22 LEU A 41 67.340 -3.377 4.543 1.00 1.83 H new ATOM 0 HD23 LEU A 41 68.098 -4.945 4.175 1.00 1.83 H new ATOM 616 N GLY A 42 67.216 -7.528 4.230 1.00 0.72 N ATOM 617 CA GLY A 42 68.547 -8.104 4.574 1.00 0.91 C ATOM 618 C GLY A 42 69.078 -8.898 3.381 1.00 0.78 C ATOM 619 O GLY A 42 70.229 -8.781 3.008 1.00 0.84 O ATOM 0 H GLY A 42 66.505 -7.613 4.957 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.244 -7.308 4.835 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.461 -8.751 5.447 1.00 0.91 H new ATOM 623 N LYS A 43 68.249 -9.703 2.774 1.00 0.77 N ATOM 624 CA LYS A 43 68.709 -10.500 1.601 1.00 0.86 C ATOM 625 C LYS A 43 68.866 -9.589 0.381 1.00 0.79 C ATOM 626 O LYS A 43 69.545 -9.920 -0.569 1.00 0.99 O ATOM 627 CB LYS A 43 67.605 -11.533 1.363 1.00 0.95 C ATOM 628 CG LYS A 43 67.384 -12.349 2.637 1.00 1.34 C ATOM 629 CD LYS A 43 68.713 -12.949 3.099 1.00 2.13 C ATOM 630 CE LYS A 43 68.484 -14.379 3.596 1.00 2.65 C ATOM 631 NZ LYS A 43 69.786 -14.791 4.192 1.00 2.98 N ATOM 0 H LYS A 43 67.274 -9.843 3.039 1.00 0.77 H new ATOM 0 HA LYS A 43 69.675 -10.974 1.774 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.681 -11.033 1.074 1.00 0.95 H new ATOM 0 HB3 LYS A 43 67.881 -12.192 0.540 1.00 0.95 H new ATOM 0 HG2 LYS A 43 66.968 -11.715 3.420 1.00 1.34 H new ATOM 0 HG3 LYS A 43 66.660 -13.142 2.452 1.00 1.34 H new ATOM 0 HD2 LYS A 43 69.429 -12.949 2.277 1.00 2.13 H new ATOM 0 HD3 LYS A 43 69.141 -12.340 3.895 1.00 2.13 H new ATOM 0 HE2 LYS A 43 67.682 -14.417 4.333 1.00 2.65 H new ATOM 0 HE3 LYS A 43 68.197 -15.040 2.778 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 69.709 -15.762 4.556 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 70.529 -14.751 3.465 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 70.030 -14.148 4.972 1.00 2.98 H new ATOM 645 N VAL A 44 68.243 -8.443 0.403 1.00 0.72 N ATOM 646 CA VAL A 44 68.355 -7.509 -0.754 1.00 0.93 C ATOM 647 C VAL A 44 69.678 -6.741 -0.684 1.00 0.89 C ATOM 648 O VAL A 44 70.305 -6.475 -1.688 1.00 1.06 O ATOM 649 CB VAL A 44 67.174 -6.550 -0.606 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.366 -5.354 -1.542 1.00 1.72 C ATOM 651 CG2 VAL A 44 65.878 -7.277 -0.970 1.00 1.80 C ATOM 0 H VAL A 44 67.661 -8.112 1.172 1.00 0.72 H new ATOM 0 HA VAL A 44 68.338 -8.032 -1.710 1.00 0.93 H new ATOM 0 HB VAL A 44 67.118 -6.200 0.425 1.00 1.18 H new ATOM 0 HG11 VAL A 44 66.524 -4.670 -1.436 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.289 -4.835 -1.284 1.00 1.72 H new ATOM 0 HG13 VAL A 44 67.422 -5.704 -2.573 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.035 -6.594 -0.865 1.00 1.80 H new ATOM 0 HG22 VAL A 44 65.934 -7.627 -2.001 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.739 -8.129 -0.304 1.00 1.80 H new ATOM 661 N MET A 45 70.102 -6.381 0.494 1.00 0.86 N ATOM 662 CA MET A 45 71.381 -5.625 0.628 1.00 1.06 C ATOM 663 C MET A 45 72.577 -6.537 0.330 1.00 1.08 C ATOM 664 O MET A 45 73.462 -6.186 -0.426 1.00 1.14 O ATOM 665 CB MET A 45 71.411 -5.164 2.084 1.00 1.34 C ATOM 666 CG MET A 45 71.589 -3.645 2.135 1.00 1.88 C ATOM 667 SD MET A 45 73.142 -3.247 2.977 1.00 2.45 S ATOM 668 CE MET A 45 72.416 -2.466 4.439 1.00 3.35 C ATOM 0 H MET A 45 69.619 -6.577 1.371 1.00 0.86 H new ATOM 0 HA MET A 45 71.441 -4.790 -0.070 1.00 1.06 H new ATOM 0 HB2 MET A 45 70.487 -5.450 2.586 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.227 -5.654 2.615 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.595 -3.235 1.125 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.751 -3.187 2.660 1.00 1.88 H new ATOM 0 HE1 MET A 45 72.842 -1.471 4.570 1.00 3.35 H new ATOM 0 HE2 MET A 45 71.337 -2.384 4.310 1.00 3.35 H new ATOM 0 HE3 MET A 45 72.631 -3.071 5.320 1.00 3.35 H new ATOM 678 N ARG A 46 72.613 -7.698 0.923 1.00 1.20 N ATOM 679 CA ARG A 46 73.756 -8.626 0.677 1.00 1.46 C ATOM 680 C ARG A 46 73.793 -9.056 -0.793 1.00 1.52 C ATOM 681 O ARG A 46 74.830 -9.409 -1.319 1.00 1.73 O ATOM 682 CB ARG A 46 73.485 -9.833 1.576 1.00 1.74 C ATOM 683 CG ARG A 46 74.725 -10.727 1.617 1.00 1.93 C ATOM 684 CD ARG A 46 75.122 -10.982 3.073 1.00 2.48 C ATOM 685 NE ARG A 46 75.471 -12.429 3.128 1.00 2.64 N ATOM 686 CZ ARG A 46 75.989 -12.934 4.214 1.00 3.08 C ATOM 687 NH1 ARG A 46 75.211 -13.330 5.185 1.00 3.64 N ATOM 688 NH2 ARG A 46 77.284 -13.041 4.330 1.00 3.41 N ATOM 0 H ARG A 46 71.902 -8.045 1.567 1.00 1.20 H new ATOM 0 HA ARG A 46 74.716 -8.158 0.893 1.00 1.46 H new ATOM 0 HB2 ARG A 46 73.230 -9.500 2.582 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.630 -10.395 1.200 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.522 -11.672 1.113 1.00 1.93 H new ATOM 0 HG3 ARG A 46 75.547 -10.251 1.083 1.00 1.93 H new ATOM 0 HD2 ARG A 46 75.968 -10.360 3.366 1.00 2.48 H new ATOM 0 HD3 ARG A 46 74.303 -10.747 3.753 1.00 2.48 H new ATOM 0 HE ARG A 46 75.305 -13.025 2.317 1.00 2.64 H new ATOM 0 HH11 ARG A 46 74.199 -13.245 5.094 1.00 3.64 H new ATOM 0 HH12 ARG A 46 75.616 -13.725 6.034 1.00 3.64 H new ATOM 0 HH21 ARG A 46 77.891 -12.730 3.572 1.00 3.41 H new ATOM 0 HH22 ARG A 46 77.689 -13.436 5.179 1.00 3.41 H new ATOM 702 N MET A 47 72.672 -9.035 -1.459 1.00 1.46 N ATOM 703 CA MET A 47 72.655 -9.451 -2.892 1.00 1.73 C ATOM 704 C MET A 47 73.148 -8.310 -3.791 1.00 1.75 C ATOM 705 O MET A 47 73.620 -8.534 -4.888 1.00 2.01 O ATOM 706 CB MET A 47 71.190 -9.811 -3.185 1.00 1.70 C ATOM 707 CG MET A 47 70.422 -8.579 -3.674 1.00 1.96 C ATOM 708 SD MET A 47 70.431 -8.548 -5.483 1.00 1.94 S ATOM 709 CE MET A 47 69.215 -7.226 -5.693 1.00 1.52 C ATOM 0 H MET A 47 71.770 -8.750 -1.077 1.00 1.46 H new ATOM 0 HA MET A 47 73.318 -10.294 -3.088 1.00 1.73 H new ATOM 0 HB2 MET A 47 71.146 -10.597 -3.939 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.720 -10.206 -2.285 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.397 -8.605 -3.304 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.880 -7.671 -3.281 1.00 1.96 H new ATOM 0 HE1 MET A 47 68.275 -7.649 -6.049 1.00 1.52 H new ATOM 0 HE2 MET A 47 69.050 -6.728 -4.737 1.00 1.52 H new ATOM 0 HE3 MET A 47 69.585 -6.503 -6.420 1.00 1.52 H new ATOM 719 N LEU A 48 73.040 -7.090 -3.338 1.00 1.60 N ATOM 720 CA LEU A 48 73.504 -5.945 -4.174 1.00 1.69 C ATOM 721 C LEU A 48 75.022 -5.784 -4.053 1.00 1.68 C ATOM 722 O LEU A 48 75.664 -5.202 -4.904 1.00 1.99 O ATOM 723 CB LEU A 48 72.782 -4.719 -3.611 1.00 1.73 C ATOM 724 CG LEU A 48 71.281 -4.843 -3.876 1.00 1.75 C ATOM 725 CD1 LEU A 48 70.531 -3.767 -3.088 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.010 -4.657 -5.371 1.00 2.15 C ATOM 0 H LEU A 48 72.652 -6.837 -2.429 1.00 1.60 H new ATOM 0 HA LEU A 48 73.285 -6.091 -5.232 1.00 1.69 H new ATOM 0 HB2 LEU A 48 72.967 -4.635 -2.540 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.170 -3.811 -4.074 1.00 1.73 H new ATOM 0 HG LEU A 48 70.939 -5.829 -3.562 1.00 1.75 H new ATOM 0 HD11 LEU A 48 69.461 -3.856 -3.278 1.00 1.86 H new ATOM 0 HD12 LEU A 48 70.723 -3.896 -2.023 1.00 1.86 H new ATOM 0 HD13 LEU A 48 70.874 -2.781 -3.401 1.00 1.86 H new ATOM 0 HD21 LEU A 48 69.940 -4.745 -5.561 1.00 2.15 H new ATOM 0 HD22 LEU A 48 71.354 -3.671 -5.683 1.00 2.15 H new ATOM 0 HD23 LEU A 48 71.543 -5.422 -5.935 1.00 2.15 H new ATOM 738 N GLY A 49 75.602 -6.301 -3.003 1.00 1.63 N ATOM 739 CA GLY A 49 77.078 -6.179 -2.833 1.00 1.87 C ATOM 740 C GLY A 49 77.392 -5.546 -1.477 1.00 1.54 C ATOM 741 O GLY A 49 78.394 -4.876 -1.312 1.00 1.53 O ATOM 0 H GLY A 49 75.118 -6.801 -2.257 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.544 -7.162 -2.902 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.497 -5.570 -3.635 1.00 1.87 H new ATOM 745 N GLN A 50 76.549 -5.750 -0.503 1.00 1.37 N ATOM 746 CA GLN A 50 76.807 -5.159 0.842 1.00 1.17 C ATOM 747 C GLN A 50 77.174 -6.259 1.840 1.00 1.24 C ATOM 748 O GLN A 50 77.214 -7.427 1.505 1.00 1.75 O ATOM 749 CB GLN A 50 75.492 -4.488 1.240 1.00 1.29 C ATOM 750 CG GLN A 50 75.024 -3.571 0.109 1.00 1.28 C ATOM 751 CD GLN A 50 75.873 -2.299 0.099 1.00 1.41 C ATOM 752 OE1 GLN A 50 76.705 -2.115 -0.769 1.00 1.89 O ATOM 753 NE2 GLN A 50 75.698 -1.405 1.034 1.00 1.85 N ATOM 0 H GLN A 50 75.693 -6.300 -0.579 1.00 1.37 H new ATOM 0 HA GLN A 50 77.636 -4.452 0.831 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.734 -5.244 1.447 1.00 1.29 H new ATOM 0 HB3 GLN A 50 75.628 -3.913 2.156 1.00 1.29 H new ATOM 0 HG2 GLN A 50 75.108 -4.085 -0.849 1.00 1.28 H new ATOM 0 HG3 GLN A 50 73.972 -3.318 0.243 1.00 1.28 H new ATOM 0 HE21 GLN A 50 75.001 -1.558 1.762 1.00 1.85 H new ATOM 0 HE22 GLN A 50 76.259 -0.553 1.036 1.00 1.85 H new ATOM 762 N ASN A 51 77.444 -5.898 3.064 1.00 1.18 N ATOM 763 CA ASN A 51 77.810 -6.925 4.080 1.00 1.29 C ATOM 764 C ASN A 51 77.257 -6.533 5.454 1.00 1.07 C ATOM 765 O ASN A 51 78.007 -6.283 6.376 1.00 1.45 O ATOM 766 CB ASN A 51 79.339 -6.933 4.101 1.00 1.96 C ATOM 767 CG ASN A 51 79.840 -8.368 4.269 1.00 2.61 C ATOM 768 OD1 ASN A 51 79.141 -9.211 4.797 1.00 3.07 O ATOM 769 ND2 ASN A 51 81.031 -8.683 3.840 1.00 3.29 N ATOM 0 H ASN A 51 77.427 -4.937 3.405 1.00 1.18 H new ATOM 0 HA ASN A 51 77.399 -7.906 3.841 1.00 1.29 H new ATOM 0 HB2 ASN A 51 79.728 -6.507 3.176 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.705 -6.311 4.918 1.00 1.96 H new ATOM 0 HD21 ASN A 51 81.376 -9.637 3.947 1.00 3.29 H new ATOM 0 HD22 ASN A 51 81.617 -7.975 3.397 1.00 3.29 H new ATOM 776 N PRO A 52 75.956 -6.495 5.540 1.00 1.47 N ATOM 777 CA PRO A 52 75.289 -6.131 6.813 1.00 2.11 C ATOM 778 C PRO A 52 75.451 -7.254 7.840 1.00 1.79 C ATOM 779 O PRO A 52 76.295 -8.118 7.703 1.00 2.07 O ATOM 780 CB PRO A 52 73.825 -5.960 6.414 1.00 2.97 C ATOM 781 CG PRO A 52 73.663 -6.792 5.182 1.00 2.97 C ATOM 782 CD PRO A 52 74.992 -6.785 4.473 1.00 2.03 C ATOM 0 HA PRO A 52 75.705 -5.236 7.276 1.00 2.11 H new ATOM 0 HB2 PRO A 52 73.157 -6.295 7.208 1.00 2.97 H new ATOM 0 HB3 PRO A 52 73.588 -4.914 6.219 1.00 2.97 H new ATOM 0 HG2 PRO A 52 73.367 -7.809 5.439 1.00 2.97 H new ATOM 0 HG3 PRO A 52 72.881 -6.385 4.541 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.197 -7.744 3.998 1.00 2.03 H new ATOM 0 HD3 PRO A 52 75.023 -6.028 3.689 1.00 2.03 H new ATOM 790 N THR A 53 74.648 -7.250 8.869 1.00 1.42 N ATOM 791 CA THR A 53 74.757 -8.320 9.904 1.00 1.16 C ATOM 792 C THR A 53 73.387 -8.537 10.553 1.00 0.98 C ATOM 793 O THR A 53 72.392 -8.041 10.063 1.00 0.92 O ATOM 794 CB THR A 53 75.772 -7.805 10.940 1.00 1.19 C ATOM 795 OG1 THR A 53 75.087 -7.083 11.951 1.00 1.40 O ATOM 796 CG2 THR A 53 76.807 -6.892 10.275 1.00 1.36 C ATOM 0 H THR A 53 73.922 -6.554 9.039 1.00 1.42 H new ATOM 0 HA THR A 53 75.079 -9.272 9.482 1.00 1.16 H new ATOM 0 HB THR A 53 76.289 -8.659 11.377 1.00 1.19 H new ATOM 0 HG1 THR A 53 75.508 -7.257 12.819 1.00 1.40 H new ATOM 0 HG21 THR A 53 77.515 -6.539 11.024 1.00 1.36 H new ATOM 0 HG22 THR A 53 77.341 -7.448 9.505 1.00 1.36 H new ATOM 0 HG23 THR A 53 76.302 -6.039 9.822 1.00 1.36 H new ATOM 804 N PRO A 54 73.373 -9.271 11.634 1.00 0.99 N ATOM 805 CA PRO A 54 72.102 -9.541 12.336 1.00 1.04 C ATOM 806 C PRO A 54 71.727 -8.352 13.224 1.00 0.93 C ATOM 807 O PRO A 54 70.609 -7.877 13.201 1.00 0.94 O ATOM 808 CB PRO A 54 72.411 -10.777 13.172 1.00 1.19 C ATOM 809 CG PRO A 54 73.895 -10.760 13.383 1.00 1.18 C ATOM 810 CD PRO A 54 74.513 -9.913 12.294 1.00 1.10 C ATOM 0 HA PRO A 54 71.259 -9.694 11.663 1.00 1.04 H new ATOM 0 HB2 PRO A 54 71.879 -10.750 14.123 1.00 1.19 H new ATOM 0 HB3 PRO A 54 72.098 -11.686 12.658 1.00 1.19 H new ATOM 0 HG2 PRO A 54 74.135 -10.353 14.365 1.00 1.18 H new ATOM 0 HG3 PRO A 54 74.296 -11.773 13.351 1.00 1.18 H new ATOM 0 HD2 PRO A 54 75.199 -9.174 12.708 1.00 1.10 H new ATOM 0 HD3 PRO A 54 75.085 -10.522 11.594 1.00 1.10 H new ATOM 818 N GLU A 55 72.654 -7.864 13.997 1.00 0.98 N ATOM 819 CA GLU A 55 72.352 -6.699 14.873 1.00 1.08 C ATOM 820 C GLU A 55 72.500 -5.404 14.072 1.00 0.97 C ATOM 821 O GLU A 55 72.018 -4.359 14.462 1.00 1.01 O ATOM 822 CB GLU A 55 73.391 -6.763 15.993 1.00 1.28 C ATOM 823 CG GLU A 55 73.104 -7.972 16.887 1.00 2.15 C ATOM 824 CD GLU A 55 72.106 -7.576 17.977 1.00 2.57 C ATOM 825 OE1 GLU A 55 71.988 -6.391 18.242 1.00 3.14 O ATOM 826 OE2 GLU A 55 71.476 -8.464 18.527 1.00 2.81 O ATOM 0 H GLU A 55 73.607 -8.221 14.061 1.00 0.98 H new ATOM 0 HA GLU A 55 71.336 -6.722 15.267 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.393 -6.840 15.570 1.00 1.28 H new ATOM 0 HB3 GLU A 55 73.363 -5.847 16.582 1.00 1.28 H new ATOM 0 HG2 GLU A 55 72.702 -8.791 16.291 1.00 2.15 H new ATOM 0 HG3 GLU A 55 74.029 -8.331 17.339 1.00 2.15 H new ATOM 833 N GLU A 56 73.166 -5.469 12.950 1.00 0.92 N ATOM 834 CA GLU A 56 73.351 -4.248 12.114 1.00 0.94 C ATOM 835 C GLU A 56 72.223 -4.130 11.084 1.00 0.84 C ATOM 836 O GLU A 56 71.723 -3.054 10.823 1.00 0.94 O ATOM 837 CB GLU A 56 74.697 -4.448 11.415 1.00 1.06 C ATOM 838 CG GLU A 56 75.807 -4.554 12.461 1.00 1.60 C ATOM 839 CD GLU A 56 76.070 -3.173 13.065 1.00 1.83 C ATOM 840 OE1 GLU A 56 75.226 -2.307 12.903 1.00 2.08 O ATOM 841 OE2 GLU A 56 77.112 -3.005 13.676 1.00 2.50 O ATOM 0 H GLU A 56 73.591 -6.317 12.576 1.00 0.92 H new ATOM 0 HA GLU A 56 73.331 -3.335 12.709 1.00 0.94 H new ATOM 0 HB2 GLU A 56 74.671 -5.351 10.805 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.896 -3.614 10.742 1.00 1.06 H new ATOM 0 HG2 GLU A 56 75.519 -5.256 13.243 1.00 1.60 H new ATOM 0 HG3 GLU A 56 76.717 -4.942 12.004 1.00 1.60 H new ATOM 848 N LEU A 57 71.821 -5.224 10.491 1.00 0.73 N ATOM 849 CA LEU A 57 70.729 -5.154 9.475 1.00 0.78 C ATOM 850 C LEU A 57 69.603 -4.244 9.972 1.00 0.80 C ATOM 851 O LEU A 57 68.857 -3.683 9.192 1.00 0.89 O ATOM 852 CB LEU A 57 70.230 -6.595 9.281 1.00 0.85 C ATOM 853 CG LEU A 57 69.991 -7.287 10.628 1.00 0.84 C ATOM 854 CD1 LEU A 57 68.803 -6.653 11.349 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.681 -8.762 10.374 1.00 1.10 C ATOM 0 H LEU A 57 72.198 -6.156 10.664 1.00 0.73 H new ATOM 0 HA LEU A 57 71.082 -4.736 8.532 1.00 0.78 H new ATOM 0 HB2 LEU A 57 69.305 -6.587 8.704 1.00 0.85 H new ATOM 0 HB3 LEU A 57 70.961 -7.161 8.704 1.00 0.85 H new ATOM 0 HG LEU A 57 70.882 -7.181 11.247 1.00 0.84 H new ATOM 0 HD11 LEU A 57 68.646 -7.155 12.304 1.00 1.30 H new ATOM 0 HD12 LEU A 57 69.005 -5.596 11.524 1.00 1.30 H new ATOM 0 HD13 LEU A 57 67.908 -6.754 10.735 1.00 1.30 H new ATOM 0 HD21 LEU A 57 69.509 -9.267 11.325 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.789 -8.845 9.753 1.00 1.10 H new ATOM 0 HD23 LEU A 57 70.524 -9.228 9.863 1.00 1.10 H new ATOM 867 N GLN A 58 69.472 -4.088 11.260 1.00 0.81 N ATOM 868 CA GLN A 58 68.394 -3.209 11.797 1.00 0.95 C ATOM 869 C GLN A 58 68.975 -1.849 12.193 1.00 0.99 C ATOM 870 O GLN A 58 68.277 -0.858 12.250 1.00 1.13 O ATOM 871 CB GLN A 58 67.854 -3.943 13.025 1.00 1.09 C ATOM 872 CG GLN A 58 66.640 -3.192 13.579 1.00 1.25 C ATOM 873 CD GLN A 58 65.363 -3.750 12.948 1.00 1.41 C ATOM 874 OE1 GLN A 58 64.982 -4.873 13.211 1.00 1.97 O ATOM 875 NE2 GLN A 58 64.679 -3.006 12.122 1.00 1.74 N ATOM 0 H GLN A 58 70.063 -4.530 11.964 1.00 0.81 H new ATOM 0 HA GLN A 58 67.610 -3.019 11.063 1.00 0.95 H new ATOM 0 HB2 GLN A 58 67.573 -4.962 12.758 1.00 1.09 H new ATOM 0 HB3 GLN A 58 68.629 -4.015 13.788 1.00 1.09 H new ATOM 0 HG2 GLN A 58 66.598 -3.296 14.663 1.00 1.25 H new ATOM 0 HG3 GLN A 58 66.729 -2.127 13.365 1.00 1.25 H new ATOM 0 HE21 GLN A 58 64.999 -2.063 11.901 1.00 1.74 H new ATOM 0 HE22 GLN A 58 63.825 -3.368 11.698 1.00 1.74 H new ATOM 884 N GLU A 59 70.251 -1.797 12.465 1.00 0.97 N ATOM 885 CA GLU A 59 70.878 -0.501 12.854 1.00 1.14 C ATOM 886 C GLU A 59 71.216 0.316 11.603 1.00 1.11 C ATOM 887 O GLU A 59 71.240 1.530 11.631 1.00 1.18 O ATOM 888 CB GLU A 59 72.154 -0.889 13.604 1.00 1.23 C ATOM 889 CG GLU A 59 72.787 0.362 14.218 1.00 1.60 C ATOM 890 CD GLU A 59 74.069 -0.024 14.958 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.036 -0.999 15.690 1.00 2.77 O ATOM 892 OE2 GLU A 59 75.062 0.661 14.778 1.00 2.75 O ATOM 0 H GLU A 59 70.886 -2.595 12.435 1.00 0.97 H new ATOM 0 HA GLU A 59 70.217 0.113 13.466 1.00 1.14 H new ATOM 0 HB2 GLU A 59 71.923 -1.613 14.385 1.00 1.23 H new ATOM 0 HB3 GLU A 59 72.857 -1.368 12.923 1.00 1.23 H new ATOM 0 HG2 GLU A 59 73.010 1.090 13.438 1.00 1.60 H new ATOM 0 HG3 GLU A 59 72.087 0.837 14.905 1.00 1.60 H new ATOM 899 N MET A 60 71.476 -0.342 10.507 1.00 1.11 N ATOM 900 CA MET A 60 71.810 0.394 9.254 1.00 1.18 C ATOM 901 C MET A 60 70.627 1.264 8.820 1.00 1.13 C ATOM 902 O MET A 60 70.800 2.342 8.286 1.00 1.25 O ATOM 903 CB MET A 60 72.083 -0.695 8.216 1.00 1.22 C ATOM 904 CG MET A 60 73.445 -0.450 7.564 1.00 1.62 C ATOM 905 SD MET A 60 73.514 1.242 6.926 1.00 1.82 S ATOM 906 CE MET A 60 75.283 1.267 6.547 1.00 2.02 C ATOM 0 H MET A 60 71.472 -1.359 10.424 1.00 1.11 H new ATOM 0 HA MET A 60 72.664 1.060 9.381 1.00 1.18 H new ATOM 0 HB2 MET A 60 72.066 -1.676 8.690 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.300 -0.694 7.458 1.00 1.22 H new ATOM 0 HG2 MET A 60 74.242 -0.609 8.291 1.00 1.62 H new ATOM 0 HG3 MET A 60 73.606 -1.162 6.754 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.553 2.238 6.133 1.00 2.02 H new ATOM 0 HE2 MET A 60 75.853 1.091 7.459 1.00 2.02 H new ATOM 0 HE3 MET A 60 75.511 0.487 5.821 1.00 2.02 H new ATOM 916 N ILE A 61 69.426 0.804 9.046 1.00 1.04 N ATOM 917 CA ILE A 61 68.235 1.607 8.645 1.00 1.11 C ATOM 918 C ILE A 61 67.920 2.656 9.717 1.00 1.23 C ATOM 919 O ILE A 61 67.710 3.815 9.421 1.00 1.40 O ATOM 920 CB ILE A 61 67.096 0.591 8.527 1.00 1.13 C ATOM 921 CG1 ILE A 61 67.200 -0.129 7.180 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.745 1.308 8.612 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.481 -1.613 7.417 1.00 1.14 C ATOM 0 H ILE A 61 69.218 -0.091 9.490 1.00 1.04 H new ATOM 0 HA ILE A 61 68.393 2.149 7.712 1.00 1.11 H new ATOM 0 HB ILE A 61 67.172 -0.130 9.341 1.00 1.13 H new ATOM 0 HG12 ILE A 61 66.274 -0.008 6.618 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.996 0.312 6.580 1.00 1.17 H new ATOM 0 HG21 ILE A 61 64.940 0.578 8.527 1.00 1.36 H new ATOM 0 HG22 ILE A 61 65.667 1.825 9.568 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.666 2.032 7.801 1.00 1.36 H new ATOM 0 HD11 ILE A 61 67.555 -2.127 6.459 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.419 -1.723 7.962 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.670 -2.048 8.000 1.00 1.14 H new ATOM 935 N ASP A 62 67.882 2.257 10.960 1.00 1.23 N ATOM 936 CA ASP A 62 67.578 3.233 12.047 1.00 1.43 C ATOM 937 C ASP A 62 68.346 4.538 11.823 1.00 1.48 C ATOM 938 O ASP A 62 67.897 5.604 12.195 1.00 1.67 O ATOM 939 CB ASP A 62 68.043 2.551 13.334 1.00 1.51 C ATOM 940 CG ASP A 62 66.833 2.246 14.218 1.00 1.54 C ATOM 941 OD1 ASP A 62 65.734 2.203 13.689 1.00 1.79 O ATOM 942 OD2 ASP A 62 67.024 2.063 15.409 1.00 2.13 O ATOM 0 H ASP A 62 68.048 1.299 11.270 1.00 1.23 H new ATOM 0 HA ASP A 62 66.520 3.492 12.082 1.00 1.43 H new ATOM 0 HB2 ASP A 62 68.575 1.630 13.098 1.00 1.51 H new ATOM 0 HB3 ASP A 62 68.742 3.195 13.867 1.00 1.51 H new ATOM 947 N GLU A 63 69.500 4.464 11.220 1.00 1.41 N ATOM 948 CA GLU A 63 70.294 5.703 10.975 1.00 1.52 C ATOM 949 C GLU A 63 69.801 6.406 9.708 1.00 1.47 C ATOM 950 O GLU A 63 69.619 7.607 9.685 1.00 1.80 O ATOM 951 CB GLU A 63 71.734 5.222 10.796 1.00 1.55 C ATOM 952 CG GLU A 63 72.506 5.422 12.102 1.00 2.11 C ATOM 953 CD GLU A 63 73.938 4.910 11.931 1.00 2.26 C ATOM 954 OE1 GLU A 63 74.171 4.163 10.996 1.00 2.32 O ATOM 955 OE2 GLU A 63 74.777 5.275 12.738 1.00 2.93 O ATOM 0 H GLU A 63 69.928 3.601 10.886 1.00 1.41 H new ATOM 0 HA GLU A 63 70.202 6.420 11.791 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.744 4.169 10.513 1.00 1.55 H new ATOM 0 HB3 GLU A 63 72.215 5.774 9.989 1.00 1.55 H new ATOM 0 HG2 GLU A 63 72.516 6.478 12.373 1.00 2.11 H new ATOM 0 HG3 GLU A 63 72.012 4.889 12.914 1.00 2.11 H new ATOM 962 N VAL A 64 69.586 5.668 8.654 1.00 1.33 N ATOM 963 CA VAL A 64 69.106 6.295 7.390 1.00 1.29 C ATOM 964 C VAL A 64 67.590 6.498 7.444 1.00 1.21 C ATOM 965 O VAL A 64 67.017 7.194 6.629 1.00 1.50 O ATOM 966 CB VAL A 64 69.478 5.302 6.289 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.924 4.843 6.484 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.547 4.089 6.359 1.00 1.31 C ATOM 0 H VAL A 64 69.722 4.658 8.613 1.00 1.33 H new ATOM 0 HA VAL A 64 69.551 7.276 7.219 1.00 1.29 H new ATOM 0 HB VAL A 64 69.376 5.784 5.317 1.00 1.40 H new ATOM 0 HG11 VAL A 64 71.190 4.135 5.699 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.589 5.705 6.435 1.00 1.69 H new ATOM 0 HG13 VAL A 64 71.025 4.361 7.457 1.00 1.69 H new ATOM 0 HG21 VAL A 64 68.812 3.381 5.574 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.649 3.608 7.332 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.516 4.414 6.221 1.00 1.31 H new ATOM 978 N ASP A 65 66.935 5.897 8.399 1.00 1.27 N ATOM 979 CA ASP A 65 65.457 6.054 8.507 1.00 1.38 C ATOM 980 C ASP A 65 65.118 7.252 9.397 1.00 2.07 C ATOM 981 O ASP A 65 65.383 7.252 10.583 1.00 2.61 O ATOM 982 CB ASP A 65 64.969 4.754 9.149 1.00 1.38 C ATOM 983 CG ASP A 65 63.571 4.417 8.626 1.00 1.66 C ATOM 984 OD1 ASP A 65 63.125 5.088 7.710 1.00 1.47 O ATOM 985 OD2 ASP A 65 62.972 3.494 9.151 1.00 2.59 O ATOM 0 H ASP A 65 67.360 5.303 9.111 1.00 1.27 H new ATOM 0 HA ASP A 65 64.987 6.233 7.540 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.659 3.942 8.920 1.00 1.38 H new ATOM 0 HB3 ASP A 65 64.947 4.858 10.234 1.00 1.38 H new ATOM 990 N GLU A 66 64.533 8.276 8.837 1.00 2.65 N ATOM 991 CA GLU A 66 64.178 9.471 9.655 1.00 3.74 C ATOM 992 C GLU A 66 62.857 9.237 10.389 1.00 4.00 C ATOM 993 O GLU A 66 62.294 10.139 10.979 1.00 4.93 O ATOM 994 CB GLU A 66 64.041 10.615 8.649 1.00 4.58 C ATOM 995 CG GLU A 66 63.023 10.232 7.574 1.00 5.25 C ATOM 996 CD GLU A 66 62.429 11.500 6.958 1.00 6.17 C ATOM 997 OE1 GLU A 66 61.473 12.014 7.515 1.00 6.61 O ATOM 998 OE2 GLU A 66 62.941 11.936 5.940 1.00 6.67 O ATOM 0 H GLU A 66 64.286 8.337 7.849 1.00 2.65 H new ATOM 0 HA GLU A 66 64.928 9.687 10.416 1.00 3.74 H new ATOM 0 HB2 GLU A 66 63.723 11.525 9.158 1.00 4.58 H new ATOM 0 HB3 GLU A 66 65.007 10.828 8.191 1.00 4.58 H new ATOM 0 HG2 GLU A 66 63.503 9.630 6.802 1.00 5.25 H new ATOM 0 HG3 GLU A 66 62.232 9.621 8.009 1.00 5.25 H new ATOM 1005 N ASP A 67 62.356 8.032 10.361 1.00 3.32 N ATOM 1006 CA ASP A 67 61.073 7.740 11.061 1.00 3.69 C ATOM 1007 C ASP A 67 61.266 6.599 12.062 1.00 3.25 C ATOM 1008 O ASP A 67 60.376 6.265 12.818 1.00 3.49 O ATOM 1009 CB ASP A 67 60.103 7.325 9.954 1.00 3.68 C ATOM 1010 CG ASP A 67 60.793 6.335 9.014 1.00 3.08 C ATOM 1011 OD1 ASP A 67 61.589 6.776 8.202 1.00 3.83 O ATOM 1012 OD2 ASP A 67 60.514 5.153 9.122 1.00 2.33 O ATOM 0 H ASP A 67 62.780 7.237 9.883 1.00 3.32 H new ATOM 0 HA ASP A 67 60.705 8.597 11.624 1.00 3.69 H new ATOM 0 HB2 ASP A 67 59.213 6.870 10.388 1.00 3.68 H new ATOM 0 HB3 ASP A 67 59.774 8.202 9.397 1.00 3.68 H new ATOM 1017 N GLY A 68 62.424 5.998 12.071 1.00 2.98 N ATOM 1018 CA GLY A 68 62.675 4.879 13.023 1.00 3.17 C ATOM 1019 C GLY A 68 61.606 3.801 12.838 1.00 2.42 C ATOM 1020 O GLY A 68 60.728 3.636 13.662 1.00 3.05 O ATOM 0 H GLY A 68 63.207 6.233 11.461 1.00 2.98 H new ATOM 0 HA2 GLY A 68 63.665 4.457 12.852 1.00 3.17 H new ATOM 0 HA3 GLY A 68 62.659 5.249 14.048 1.00 3.17 H new ATOM 1024 N SER A 69 61.672 3.064 11.763 1.00 1.46 N ATOM 1025 CA SER A 69 60.657 1.998 11.528 1.00 1.52 C ATOM 1026 C SER A 69 61.349 0.686 11.150 1.00 1.64 C ATOM 1027 O SER A 69 61.055 -0.361 11.693 1.00 2.49 O ATOM 1028 CB SER A 69 59.807 2.510 10.367 1.00 2.44 C ATOM 1029 OG SER A 69 60.578 2.478 9.173 1.00 2.71 O ATOM 0 H SER A 69 62.384 3.154 11.038 1.00 1.46 H new ATOM 0 HA SER A 69 60.055 1.796 12.414 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.915 1.894 10.255 1.00 2.44 H new ATOM 0 HB3 SER A 69 59.469 3.526 10.569 1.00 2.44 H new ATOM 1035 N GLY A 70 62.267 0.734 10.224 1.00 1.28 N ATOM 1036 CA GLY A 70 62.977 -0.511 9.813 1.00 1.43 C ATOM 1037 C GLY A 70 62.554 -0.902 8.396 1.00 1.29 C ATOM 1038 O GLY A 70 62.971 -1.916 7.872 1.00 1.59 O ATOM 0 H GLY A 70 62.556 1.581 9.734 1.00 1.28 H new ATOM 0 HA2 GLY A 70 64.055 -0.356 9.851 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.747 -1.319 10.508 1.00 1.43 H new ATOM 1042 N THR A 71 61.728 -0.107 7.768 1.00 0.89 N ATOM 1043 CA THR A 71 61.282 -0.442 6.386 1.00 0.79 C ATOM 1044 C THR A 71 62.029 0.418 5.362 1.00 0.76 C ATOM 1045 O THR A 71 62.575 1.455 5.687 1.00 0.83 O ATOM 1046 CB THR A 71 59.786 -0.124 6.364 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.602 1.285 6.356 1.00 1.45 O ATOM 1048 CG2 THR A 71 59.116 -0.722 7.601 1.00 1.08 C ATOM 0 H THR A 71 61.345 0.757 8.152 1.00 0.89 H new ATOM 0 HA THR A 71 61.482 -1.483 6.130 1.00 0.79 H new ATOM 0 HB THR A 71 59.337 -0.554 5.469 1.00 0.84 H new ATOM 0 HG1 THR A 71 59.821 1.648 7.239 1.00 1.45 H new ATOM 0 HG21 THR A 71 58.050 -0.494 7.583 1.00 1.08 H new ATOM 0 HG22 THR A 71 59.256 -1.803 7.604 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.563 -0.296 8.499 1.00 1.08 H new ATOM 1056 N VAL A 72 62.056 -0.004 4.127 1.00 0.73 N ATOM 1057 CA VAL A 72 62.767 0.787 3.083 1.00 0.77 C ATOM 1058 C VAL A 72 62.044 0.656 1.739 1.00 0.80 C ATOM 1059 O VAL A 72 62.108 -0.367 1.087 1.00 1.00 O ATOM 1060 CB VAL A 72 64.164 0.173 3.002 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.854 0.638 1.718 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.988 0.620 4.213 1.00 1.13 C ATOM 0 H VAL A 72 61.616 -0.863 3.796 1.00 0.73 H new ATOM 0 HA VAL A 72 62.803 1.850 3.323 1.00 0.77 H new ATOM 0 HB VAL A 72 64.082 -0.914 2.997 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.850 0.200 1.661 1.00 1.13 H new ATOM 0 HG12 VAL A 72 64.268 0.321 0.855 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.936 1.725 1.722 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.985 0.183 4.156 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.068 1.707 4.217 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.498 0.289 5.129 1.00 1.13 H new ATOM 1072 N ASP A 73 61.355 1.683 1.321 1.00 0.77 N ATOM 1073 CA ASP A 73 60.629 1.614 0.020 1.00 0.83 C ATOM 1074 C ASP A 73 61.558 2.021 -1.128 1.00 0.87 C ATOM 1075 O ASP A 73 62.760 2.095 -0.971 1.00 0.87 O ATOM 1076 CB ASP A 73 59.475 2.610 0.157 1.00 0.85 C ATOM 1077 CG ASP A 73 60.037 4.006 0.433 1.00 1.80 C ATOM 1078 OD1 ASP A 73 61.231 4.109 0.656 1.00 2.57 O ATOM 1079 OD2 ASP A 73 59.262 4.948 0.416 1.00 2.47 O ATOM 0 H ASP A 73 61.263 2.566 1.823 1.00 0.77 H new ATOM 0 HA ASP A 73 60.274 0.608 -0.202 1.00 0.83 H new ATOM 0 HB2 ASP A 73 58.879 2.620 -0.755 1.00 0.85 H new ATOM 0 HB3 ASP A 73 58.812 2.306 0.967 1.00 0.85 H new ATOM 1084 N PHE A 74 61.007 2.284 -2.282 1.00 0.94 N ATOM 1085 CA PHE A 74 61.856 2.685 -3.441 1.00 0.98 C ATOM 1086 C PHE A 74 62.731 3.887 -3.070 1.00 0.86 C ATOM 1087 O PHE A 74 63.760 4.126 -3.669 1.00 0.83 O ATOM 1088 CB PHE A 74 60.864 3.064 -4.541 1.00 1.12 C ATOM 1089 CG PHE A 74 61.617 3.564 -5.750 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.892 3.063 -6.037 1.00 2.22 C ATOM 1091 CD2 PHE A 74 61.039 4.528 -6.586 1.00 1.97 C ATOM 1092 CE1 PHE A 74 63.589 3.526 -7.160 1.00 3.01 C ATOM 1093 CE2 PHE A 74 61.736 4.991 -7.707 1.00 2.84 C ATOM 1094 CZ PHE A 74 63.012 4.491 -7.994 1.00 3.18 C ATOM 0 H PHE A 74 60.006 2.239 -2.473 1.00 0.94 H new ATOM 0 HA PHE A 74 62.531 1.888 -3.754 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.256 2.200 -4.810 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.182 3.834 -4.180 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.338 2.320 -5.393 1.00 2.22 H new ATOM 0 HD2 PHE A 74 60.055 4.914 -6.365 1.00 1.97 H new ATOM 0 HE1 PHE A 74 64.572 3.138 -7.383 1.00 3.01 H new ATOM 0 HE2 PHE A 74 61.290 5.734 -8.351 1.00 2.84 H new ATOM 0 HZ PHE A 74 63.551 4.850 -8.858 1.00 3.18 H new ATOM 1104 N ASP A 75 62.328 4.645 -2.087 1.00 0.83 N ATOM 1105 CA ASP A 75 63.135 5.832 -1.680 1.00 0.76 C ATOM 1106 C ASP A 75 64.266 5.407 -0.738 1.00 0.69 C ATOM 1107 O ASP A 75 65.432 5.518 -1.062 1.00 0.65 O ATOM 1108 CB ASP A 75 62.150 6.751 -0.956 1.00 0.81 C ATOM 1109 CG ASP A 75 61.280 7.477 -1.982 1.00 0.99 C ATOM 1110 OD1 ASP A 75 60.983 6.883 -3.006 1.00 1.49 O ATOM 1111 OD2 ASP A 75 60.924 8.617 -1.728 1.00 1.57 O ATOM 0 H ASP A 75 61.475 4.494 -1.548 1.00 0.83 H new ATOM 0 HA ASP A 75 63.602 6.325 -2.532 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.524 6.169 -0.279 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.692 7.474 -0.346 1.00 0.81 H new ATOM 1116 N GLU A 76 63.930 4.923 0.427 1.00 0.77 N ATOM 1117 CA GLU A 76 64.986 4.494 1.389 1.00 0.78 C ATOM 1118 C GLU A 76 65.950 3.512 0.716 1.00 0.70 C ATOM 1119 O GLU A 76 67.114 3.440 1.055 1.00 0.70 O ATOM 1120 CB GLU A 76 64.231 3.807 2.528 1.00 0.95 C ATOM 1121 CG GLU A 76 63.131 4.735 3.046 1.00 1.51 C ATOM 1122 CD GLU A 76 62.801 4.378 4.497 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.730 4.203 5.268 1.00 1.94 O ATOM 1124 OE2 GLU A 76 61.626 4.286 4.812 1.00 1.72 O ATOM 0 H GLU A 76 62.971 4.806 0.754 1.00 0.77 H new ATOM 0 HA GLU A 76 65.584 5.333 1.744 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.796 2.871 2.177 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.919 3.556 3.335 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.456 5.773 2.981 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.240 4.641 2.426 1.00 1.51 H new ATOM 1131 N PHE A 77 65.474 2.756 -0.237 1.00 0.72 N ATOM 1132 CA PHE A 77 66.368 1.782 -0.928 1.00 0.73 C ATOM 1133 C PHE A 77 67.558 2.512 -1.556 1.00 0.67 C ATOM 1134 O PHE A 77 68.700 2.235 -1.251 1.00 0.69 O ATOM 1135 CB PHE A 77 65.499 1.140 -2.009 1.00 0.84 C ATOM 1136 CG PHE A 77 66.113 -0.172 -2.434 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.569 -1.078 -1.469 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.228 -0.482 -3.795 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.139 -2.293 -1.865 1.00 1.48 C ATOM 1140 CE2 PHE A 77 66.797 -1.697 -4.191 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.254 -2.603 -3.225 1.00 1.46 C ATOM 0 H PHE A 77 64.509 2.770 -0.566 1.00 0.72 H new ATOM 0 HA PHE A 77 66.777 1.039 -0.243 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.490 0.976 -1.630 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.413 1.808 -2.866 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.481 -0.839 -0.419 1.00 1.32 H new ATOM 0 HD2 PHE A 77 65.877 0.218 -4.539 1.00 1.83 H new ATOM 0 HE1 PHE A 77 67.490 -2.992 -1.121 1.00 1.48 H new ATOM 0 HE2 PHE A 77 66.884 -1.936 -5.241 1.00 2.03 H new ATOM 0 HZ PHE A 77 67.695 -3.541 -3.530 1.00 1.46 H new ATOM 1151 N LEU A 78 67.299 3.447 -2.429 1.00 0.66 N ATOM 1152 CA LEU A 78 68.417 4.196 -3.072 1.00 0.68 C ATOM 1153 C LEU A 78 69.157 5.025 -2.021 1.00 0.62 C ATOM 1154 O LEU A 78 70.294 5.412 -2.209 1.00 0.64 O ATOM 1155 CB LEU A 78 67.750 5.108 -4.106 1.00 0.77 C ATOM 1156 CG LEU A 78 66.843 4.279 -5.017 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.363 5.146 -6.184 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.624 3.082 -5.563 1.00 1.41 C ATOM 0 H LEU A 78 66.363 3.725 -2.725 1.00 0.66 H new ATOM 0 HA LEU A 78 69.149 3.533 -3.534 1.00 0.68 H new ATOM 0 HB2 LEU A 78 67.168 5.880 -3.602 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.509 5.617 -4.699 1.00 0.77 H new ATOM 0 HG LEU A 78 65.984 3.925 -4.448 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.717 4.556 -6.834 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.807 6.000 -5.798 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.223 5.500 -6.752 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.978 2.491 -6.212 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.483 3.437 -6.132 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.968 2.464 -4.734 1.00 1.41 H new ATOM 1170 N VAL A 79 68.524 5.294 -0.913 1.00 0.59 N ATOM 1171 CA VAL A 79 69.196 6.089 0.152 1.00 0.61 C ATOM 1172 C VAL A 79 70.197 5.208 0.902 1.00 0.63 C ATOM 1173 O VAL A 79 71.092 5.691 1.565 1.00 0.68 O ATOM 1174 CB VAL A 79 68.070 6.538 1.084 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.646 7.421 2.192 1.00 0.73 C ATOM 1176 CG2 VAL A 79 67.036 7.334 0.286 1.00 0.70 C ATOM 0 H VAL A 79 67.572 4.998 -0.699 1.00 0.59 H new ATOM 0 HA VAL A 79 69.751 6.938 -0.248 1.00 0.61 H new ATOM 0 HB VAL A 79 67.594 5.663 1.527 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.843 7.741 2.856 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.384 6.856 2.761 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.121 8.296 1.749 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.233 7.655 0.949 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.513 8.209 -0.156 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.625 6.706 -0.505 1.00 0.70 H new ATOM 1186 N MET A 80 70.053 3.915 0.796 1.00 0.65 N ATOM 1187 CA MET A 80 70.995 2.999 1.498 1.00 0.72 C ATOM 1188 C MET A 80 72.401 3.137 0.906 1.00 0.71 C ATOM 1189 O MET A 80 73.345 3.465 1.596 1.00 0.76 O ATOM 1190 CB MET A 80 70.443 1.595 1.247 1.00 0.80 C ATOM 1191 CG MET A 80 71.359 0.561 1.902 1.00 1.12 C ATOM 1192 SD MET A 80 71.046 0.521 3.685 1.00 2.17 S ATOM 1193 CE MET A 80 69.404 -0.234 3.612 1.00 2.77 C ATOM 0 H MET A 80 69.323 3.454 0.253 1.00 0.65 H new ATOM 0 HA MET A 80 71.074 3.221 2.562 1.00 0.72 H new ATOM 0 HB2 MET A 80 69.435 1.512 1.652 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.372 1.407 0.176 1.00 0.80 H new ATOM 0 HG2 MET A 80 71.182 -0.423 1.469 1.00 1.12 H new ATOM 0 HG3 MET A 80 72.403 0.811 1.711 1.00 1.12 H new ATOM 0 HE1 MET A 80 69.321 -0.999 4.384 1.00 2.77 H new ATOM 0 HE2 MET A 80 68.644 0.531 3.775 1.00 2.77 H new ATOM 0 HE3 MET A 80 69.256 -0.689 2.633 1.00 2.77 H new ATOM 1203 N MET A 81 72.548 2.892 -0.369 1.00 0.69 N ATOM 1204 CA MET A 81 73.898 3.015 -0.996 1.00 0.74 C ATOM 1205 C MET A 81 74.466 4.416 -0.753 1.00 0.75 C ATOM 1206 O MET A 81 75.662 4.597 -0.631 1.00 0.82 O ATOM 1207 CB MET A 81 73.704 2.766 -2.499 1.00 0.73 C ATOM 1208 CG MET A 81 72.421 3.441 -2.999 1.00 0.89 C ATOM 1209 SD MET A 81 71.360 2.214 -3.810 1.00 1.41 S ATOM 1210 CE MET A 81 71.317 0.978 -2.484 1.00 1.21 C ATOM 0 H MET A 81 71.797 2.614 -1.001 1.00 0.69 H new ATOM 0 HA MET A 81 74.601 2.300 -0.569 1.00 0.74 H new ATOM 0 HB2 MET A 81 74.562 3.151 -3.050 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.656 1.694 -2.692 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.891 3.899 -2.164 1.00 0.89 H new ATOM 0 HG3 MET A 81 72.668 4.241 -3.697 1.00 0.89 H new ATOM 0 HE1 MET A 81 70.356 0.464 -2.497 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.118 0.254 -2.635 1.00 1.21 H new ATOM 0 HE3 MET A 81 71.452 1.472 -1.522 1.00 1.21 H new ATOM 1220 N VAL A 82 73.623 5.409 -0.674 1.00 0.72 N ATOM 1221 CA VAL A 82 74.126 6.792 -0.431 1.00 0.78 C ATOM 1222 C VAL A 82 75.012 6.808 0.817 1.00 0.81 C ATOM 1223 O VAL A 82 76.044 7.448 0.852 1.00 0.93 O ATOM 1224 CB VAL A 82 72.874 7.640 -0.210 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.271 8.991 0.388 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.169 7.866 -1.548 1.00 1.36 C ATOM 0 H VAL A 82 72.611 5.324 -0.767 1.00 0.72 H new ATOM 0 HA VAL A 82 74.726 7.168 -1.259 1.00 0.78 H new ATOM 0 HB VAL A 82 72.202 7.122 0.474 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.378 9.596 0.546 1.00 1.08 H new ATOM 0 HG12 VAL A 82 73.775 8.833 1.341 1.00 1.08 H new ATOM 0 HG13 VAL A 82 73.943 9.508 -0.296 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.276 8.471 -1.391 1.00 1.36 H new ATOM 0 HG22 VAL A 82 72.842 8.384 -2.231 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.886 6.905 -1.977 1.00 1.36 H new ATOM 1236 N ARG A 83 74.617 6.101 1.840 1.00 0.79 N ATOM 1237 CA ARG A 83 75.434 6.065 3.085 1.00 0.85 C ATOM 1238 C ARG A 83 76.162 4.722 3.195 1.00 0.90 C ATOM 1239 O ARG A 83 76.823 4.440 4.174 1.00 1.00 O ATOM 1240 CB ARG A 83 74.426 6.224 4.225 1.00 0.87 C ATOM 1241 CG ARG A 83 73.981 7.686 4.312 1.00 1.07 C ATOM 1242 CD ARG A 83 73.128 7.885 5.567 1.00 0.92 C ATOM 1243 NE ARG A 83 73.755 9.031 6.280 1.00 1.62 N ATOM 1244 CZ ARG A 83 73.427 9.288 7.516 1.00 1.83 C ATOM 1245 NH1 ARG A 83 72.343 8.766 8.024 1.00 2.14 N ATOM 1246 NH2 ARG A 83 74.181 10.064 8.245 1.00 2.49 N ATOM 0 H ARG A 83 73.762 5.546 1.867 1.00 0.79 H new ATOM 0 HA ARG A 83 76.196 6.844 3.105 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.563 5.580 4.055 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.875 5.913 5.168 1.00 0.87 H new ATOM 0 HG2 ARG A 83 74.852 8.341 4.343 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.410 7.957 3.424 1.00 1.07 H new ATOM 0 HD2 ARG A 83 72.091 8.100 5.310 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.123 6.989 6.187 1.00 0.92 H new ATOM 0 HE ARG A 83 74.441 9.615 5.802 1.00 1.62 H new ATOM 0 HH11 ARG A 83 71.754 8.158 7.454 1.00 2.14 H new ATOM 0 HH12 ARG A 83 72.085 8.966 8.990 1.00 2.14 H new ATOM 0 HH21 ARG A 83 75.028 10.471 7.849 1.00 2.49 H new ATOM 0 HH22 ARG A 83 73.923 10.264 9.211 1.00 2.49 H new ATOM 1260 N SER A 84 76.043 3.891 2.194 1.00 0.92 N ATOM 1261 CA SER A 84 76.726 2.566 2.239 1.00 1.01 C ATOM 1262 C SER A 84 77.658 2.411 1.034 1.00 1.06 C ATOM 1263 O SER A 84 78.239 1.367 0.815 1.00 1.38 O ATOM 1264 CB SER A 84 75.595 1.541 2.178 1.00 1.04 C ATOM 1265 OG SER A 84 75.510 1.011 0.861 1.00 1.52 O ATOM 0 H SER A 84 75.503 4.072 1.348 1.00 0.92 H new ATOM 0 HA SER A 84 77.340 2.445 3.131 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.777 0.739 2.894 1.00 1.04 H new ATOM 0 HB3 SER A 84 74.650 2.008 2.456 1.00 1.04 H new ATOM 0 HG SER A 84 74.583 0.758 0.669 1.00 1.52 H new ATOM 1271 N MET A 85 77.807 3.444 0.250 1.00 0.00 N ATOM 1272 CA MET A 85 78.702 3.357 -0.939 1.00 0.00 C ATOM 1273 C MET A 85 80.128 3.762 -0.556 1.00 0.00 C ATOM 1274 O MET A 85 80.968 3.988 -1.403 1.00 0.00 O ATOM 1275 CB MET A 85 78.116 4.347 -1.947 1.00 0.00 C ATOM 1276 CG MET A 85 77.035 3.653 -2.778 1.00 0.00 C ATOM 1277 SD MET A 85 76.262 4.857 -3.887 1.00 0.00 S ATOM 1278 CE MET A 85 75.659 3.677 -5.119 1.00 0.00 C ATOM 0 H MET A 85 77.347 4.345 0.382 1.00 0.00 H new ATOM 0 HA MET A 85 78.756 2.346 -1.344 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.693 5.205 -1.425 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.903 4.726 -2.599 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.472 2.838 -3.356 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.284 3.212 -2.122 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.130 3.882 -6.080 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.905 2.663 -4.803 1.00 0.00 H new ATOM 0 HE3 MET A 85 74.578 3.774 -5.217 1.00 0.00 H new ATOM 1288 N LYS A 86 80.407 3.857 0.716 1.00 0.00 N ATOM 1289 CA LYS A 86 81.778 4.249 1.153 1.00 0.00 C ATOM 1290 C LYS A 86 82.589 3.007 1.533 1.00 0.00 C ATOM 1291 O LYS A 86 82.322 2.360 2.526 1.00 0.00 O ATOM 1292 CB LYS A 86 81.562 5.144 2.374 1.00 0.00 C ATOM 1293 CG LYS A 86 80.866 6.436 1.943 1.00 0.00 C ATOM 1294 CD LYS A 86 81.917 7.465 1.522 1.00 0.00 C ATOM 1295 CE LYS A 86 81.374 8.307 0.366 1.00 0.00 C ATOM 1296 NZ LYS A 86 82.581 8.762 -0.379 1.00 0.00 N ATOM 0 H LYS A 86 79.745 3.680 1.471 1.00 0.00 H new ATOM 0 HA LYS A 86 82.333 4.760 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 86 80.958 4.624 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 86 82.518 5.373 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 86 80.185 6.236 1.116 1.00 0.00 H new ATOM 0 HG3 LYS A 86 80.265 6.829 2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.171 8.107 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 86 82.834 6.960 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 86 80.713 7.721 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 86 80.794 9.154 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 82.290 9.347 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 83.188 9.323 0.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 83.110 7.935 -0.722 1.00 0.00 H new ATOM 1310 N ASP A 87 83.578 2.671 0.750 1.00 0.00 N ATOM 1311 CA ASP A 87 84.406 1.471 1.069 1.00 0.00 C ATOM 1312 C ASP A 87 85.535 1.846 2.031 1.00 0.00 C ATOM 1313 O ASP A 87 85.860 1.108 2.940 1.00 0.00 O ATOM 1314 CB ASP A 87 84.977 1.015 -0.275 1.00 0.00 C ATOM 1315 CG ASP A 87 85.558 -0.392 -0.129 1.00 0.00 C ATOM 1316 OD1 ASP A 87 85.637 -0.867 0.993 1.00 0.00 O ATOM 1317 OD2 ASP A 87 85.916 -0.973 -1.141 1.00 0.00 O ATOM 0 H ASP A 87 83.849 3.174 -0.095 1.00 0.00 H new ATOM 0 HA ASP A 87 83.825 0.686 1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 87 84.196 1.021 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 87 85.751 1.707 -0.608 1.00 0.00 H new ATOM 1322 N ASP A 88 86.135 2.989 1.841 1.00 0.00 N ATOM 1323 CA ASP A 88 87.243 3.410 2.745 1.00 0.00 C ATOM 1324 C ASP A 88 87.346 4.937 2.778 1.00 0.00 C ATOM 1325 O ASP A 88 88.415 5.500 2.645 1.00 0.00 O ATOM 1326 CB ASP A 88 88.506 2.799 2.136 1.00 0.00 C ATOM 1327 CG ASP A 88 88.537 3.082 0.634 1.00 0.00 C ATOM 1328 OD1 ASP A 88 87.667 2.583 -0.060 1.00 0.00 O ATOM 1329 OD2 ASP A 88 89.430 3.793 0.203 1.00 0.00 O ATOM 0 H ASP A 88 85.906 3.650 1.099 1.00 0.00 H new ATOM 0 HA ASP A 88 87.087 3.080 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 88 89.392 3.217 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 88 88.525 1.724 2.315 1.00 0.00 H new ATOM 1334 N SER A 89 86.243 5.612 2.952 1.00 0.00 N ATOM 1335 CA SER A 89 86.279 7.101 2.994 1.00 0.00 C ATOM 1336 C SER A 89 86.331 7.590 4.444 1.00 0.00 C ATOM 1337 O SER A 89 87.366 8.103 4.838 1.00 0.00 O ATOM 1338 CB SER A 89 84.981 7.548 2.324 1.00 0.00 C ATOM 1339 OG SER A 89 84.736 8.913 2.636 1.00 0.00 O ATOM 1340 OXT SER A 89 85.336 7.444 5.133 1.00 0.00 O ATOM 0 H SER A 89 85.318 5.197 3.067 1.00 0.00 H new ATOM 0 HA SER A 89 87.157 7.506 2.492 1.00 0.00 H new ATOM 0 HB2 SER A 89 85.052 7.417 1.244 1.00 0.00 H new ATOM 0 HB3 SER A 89 84.151 6.930 2.666 1.00 0.00 H new ATOM 0 HG SER A 89 83.999 9.248 2.084 1.00 0.00 H new TER 1346 SER A 89 HETATM 1347 CA CA A 90 61.861 3.573 7.258 1.00 1.15 CA