USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 45 MET CE :methyl 177:sc= -0.0655 (180deg=-0.0801) USER MOD Set 1.2: A 81 MET CE :methyl -118:sc= -7.92! (180deg=-11.2!) USER MOD Set 2.1: A 60 MET CE :methyl 159:sc= -2.19! (180deg=-3.55!) USER MOD Set 2.2: A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 163:sc=-0.000122 (180deg=-0.436) USER MOD Single : A 11 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.11) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 16 GLN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0.232 (180deg=0.229) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 21 LYS NZ :NH3+ -146:sc= -0.0523 (180deg=-0.93) USER MOD Single : A 35 CYS SG : rot -91:sc= -1.64! USER MOD Single : A 37 SER OG : rot 160:sc= -0.0204 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0685 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -173:sc= 0 (180deg=-0.0359) USER MOD Single : A 50 GLN : amide:sc= -0.292 K(o=-0.29,f=-2!) USER MOD Single : A 51 ASN : amide:sc= -1.52! C(o=-1.5!,f=-3.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 58 GLN : amide:sc= -0.718 X(o=-0.72,f=-0.39) USER MOD Single : A 69 SER OG : rot 29:sc= 0.796 USER MOD Single : A 71 THR OG1 : rot 43:sc= 0.0157 USER MOD Single : A 80 MET CE :methyl -172:sc= -0.61 (180deg=-0.647) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.385 3.152 2.873 1.00 0.00 N ATOM 45 CA ILE A 4 83.465 1.735 3.335 1.00 0.00 C ATOM 46 C ILE A 4 82.096 1.059 3.216 1.00 0.00 C ATOM 47 O ILE A 4 81.996 -0.147 3.104 1.00 0.00 O ATOM 48 CB ILE A 4 83.894 1.823 4.799 1.00 0.00 C ATOM 49 CG1 ILE A 4 82.723 2.331 5.644 1.00 0.00 C ATOM 50 CG2 ILE A 4 85.072 2.790 4.929 1.00 0.00 C ATOM 51 CD1 ILE A 4 81.898 1.143 6.139 1.00 0.00 C ATOM 0 HA ILE A 4 84.161 1.145 2.739 1.00 0.00 H new ATOM 0 HB ILE A 4 84.194 0.835 5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 4 83.095 2.907 6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 4 82.098 3.000 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 4 85.378 2.853 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 4 85.907 2.430 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 4 84.772 3.778 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 4 81.064 1.505 6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 4 81.514 0.585 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 4 82.527 0.491 6.745 1.00 0.00 H new ATOM 63 N TYR A 5 81.041 1.826 3.245 1.00 0.00 N ATOM 64 CA TYR A 5 79.679 1.225 3.137 1.00 0.00 C ATOM 65 C TYR A 5 79.550 0.436 1.832 1.00 0.00 C ATOM 66 O TYR A 5 78.764 -0.485 1.729 1.00 0.00 O ATOM 67 CB TYR A 5 78.720 2.416 3.147 1.00 0.00 C ATOM 68 CG TYR A 5 78.882 3.179 4.440 1.00 0.00 C ATOM 69 CD1 TYR A 5 78.177 2.779 5.581 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.738 4.285 4.497 1.00 0.00 C ATOM 71 CE1 TYR A 5 78.328 3.486 6.781 1.00 0.00 C ATOM 72 CE2 TYR A 5 79.889 4.992 5.696 1.00 0.00 C ATOM 73 CZ TYR A 5 79.184 4.593 6.838 1.00 0.00 C ATOM 74 OH TYR A 5 79.332 5.289 8.020 1.00 0.00 O ATOM 0 H TYR A 5 81.062 2.841 3.339 1.00 0.00 H new ATOM 0 HA TYR A 5 79.468 0.527 3.948 1.00 0.00 H new ATOM 0 HB2 TYR A 5 78.925 3.069 2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 5 77.692 2.070 3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 5 77.517 1.926 5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.282 4.593 3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 5 77.785 3.177 7.662 1.00 0.00 H new ATOM 0 HE2 TYR A 5 80.549 5.845 5.740 1.00 0.00 H new ATOM 0 HH TYR A 5 79.963 6.028 7.888 1.00 0.00 H new ATOM 84 N LYS A 6 80.314 0.789 0.834 1.00 0.00 N ATOM 85 CA LYS A 6 80.232 0.056 -0.463 1.00 0.00 C ATOM 86 C LYS A 6 80.421 -1.445 -0.232 1.00 0.00 C ATOM 87 O LYS A 6 79.733 -2.264 -0.809 1.00 0.00 O ATOM 88 CB LYS A 6 81.378 0.617 -1.308 1.00 0.00 C ATOM 89 CG LYS A 6 80.864 0.953 -2.710 1.00 0.00 C ATOM 90 CD LYS A 6 81.955 0.655 -3.739 1.00 0.00 C ATOM 91 CE LYS A 6 81.364 0.730 -5.149 1.00 0.00 C ATOM 92 NZ LYS A 6 81.064 2.173 -5.364 1.00 0.00 N ATOM 0 H LYS A 6 80.991 1.552 0.860 1.00 0.00 H new ATOM 0 HA LYS A 6 79.266 0.184 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 6 81.788 1.510 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 6 82.187 -0.111 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 6 79.971 0.368 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 6 80.578 2.003 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 6 82.771 1.371 -3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 6 82.376 -0.335 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 6 82.069 0.358 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 6 80.463 0.123 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 80.933 2.353 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 80.195 2.427 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 81.855 2.748 -5.010 1.00 0.00 H new ATOM 106 N ALA A 7 81.347 -1.814 0.610 1.00 0.00 N ATOM 107 CA ALA A 7 81.580 -3.262 0.879 1.00 0.00 C ATOM 108 C ALA A 7 80.288 -3.927 1.357 1.00 0.00 C ATOM 109 O ALA A 7 80.041 -5.087 1.093 1.00 0.00 O ATOM 110 CB ALA A 7 82.637 -3.293 1.983 1.00 0.00 C ATOM 0 H ALA A 7 81.953 -1.175 1.124 1.00 0.00 H new ATOM 0 HA ALA A 7 81.903 -3.800 -0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 7 82.865 -4.328 2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 7 83.543 -2.798 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.258 -2.776 2.864 1.00 0.00 H new ATOM 116 N ALA A 8 79.462 -3.202 2.061 1.00 0.00 N ATOM 117 CA ALA A 8 78.186 -3.796 2.558 1.00 0.00 C ATOM 118 C ALA A 8 77.387 -4.385 1.392 1.00 0.00 C ATOM 119 O ALA A 8 76.717 -5.388 1.532 1.00 0.00 O ATOM 120 CB ALA A 8 77.428 -2.632 3.195 1.00 0.00 C ATOM 0 H ALA A 8 79.614 -2.226 2.314 1.00 0.00 H new ATOM 0 HA ALA A 8 78.356 -4.607 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.475 -2.989 3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 8 78.020 -2.214 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.247 -1.862 2.445 1.00 0.00 H new ATOM 126 N VAL A 9 77.450 -3.767 0.243 1.00 0.00 N ATOM 127 CA VAL A 9 76.692 -4.293 -0.929 1.00 0.00 C ATOM 128 C VAL A 9 77.357 -5.565 -1.463 1.00 0.00 C ATOM 129 O VAL A 9 76.705 -6.557 -1.720 1.00 0.00 O ATOM 130 CB VAL A 9 76.752 -3.177 -1.972 1.00 0.00 C ATOM 131 CG1 VAL A 9 76.249 -3.706 -3.317 1.00 0.00 C ATOM 132 CG2 VAL A 9 75.867 -2.012 -1.521 1.00 0.00 C ATOM 0 H VAL A 9 77.993 -2.922 0.065 1.00 0.00 H new ATOM 0 HA VAL A 9 75.666 -4.557 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 9 77.781 -2.835 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 9 76.292 -2.910 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 9 76.877 -4.537 -3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.220 -4.048 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 9 75.908 -1.215 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 9 74.838 -2.356 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 9 76.223 -1.634 -0.563 1.00 0.00 H new ATOM 142 N GLU A 10 78.651 -5.544 -1.633 1.00 0.00 N ATOM 143 CA GLU A 10 79.356 -6.751 -2.151 1.00 0.00 C ATOM 144 C GLU A 10 79.086 -7.953 -1.240 1.00 0.00 C ATOM 145 O GLU A 10 79.157 -9.091 -1.661 1.00 0.00 O ATOM 146 CB GLU A 10 80.840 -6.384 -2.128 1.00 0.00 C ATOM 147 CG GLU A 10 81.228 -5.745 -3.462 1.00 0.00 C ATOM 148 CD GLU A 10 81.947 -6.776 -4.333 1.00 0.00 C ATOM 149 OE1 GLU A 10 81.385 -7.839 -4.545 1.00 0.00 O ATOM 150 OE2 GLU A 10 83.048 -6.488 -4.773 1.00 0.00 O ATOM 0 H GLU A 10 79.251 -4.743 -1.435 1.00 0.00 H new ATOM 0 HA GLU A 10 79.020 -7.028 -3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.042 -5.693 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.443 -7.274 -1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.338 -5.378 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.874 -4.884 -3.290 1.00 0.00 H new ATOM 157 N GLN A 11 78.779 -7.710 0.004 1.00 0.00 N ATOM 158 CA GLN A 11 78.505 -8.837 0.939 1.00 0.00 C ATOM 159 C GLN A 11 77.361 -9.705 0.406 1.00 0.00 C ATOM 160 O GLN A 11 77.217 -10.854 0.773 1.00 0.00 O ATOM 161 CB GLN A 11 78.104 -8.172 2.257 1.00 0.00 C ATOM 162 CG GLN A 11 79.360 -7.768 3.029 1.00 0.00 C ATOM 163 CD GLN A 11 79.248 -8.252 4.476 1.00 0.00 C ATOM 164 OE1 GLN A 11 80.225 -8.665 5.069 1.00 0.00 O ATOM 165 NE2 GLN A 11 78.090 -8.216 5.075 1.00 0.00 N ATOM 0 H GLN A 11 78.706 -6.779 0.414 1.00 0.00 H new ATOM 0 HA GLN A 11 79.369 -9.491 1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 11 77.487 -7.295 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 11 77.502 -8.858 2.854 1.00 0.00 H new ATOM 0 HG2 GLN A 11 80.244 -8.199 2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 11 79.482 -6.685 3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 11 77.269 -7.869 4.578 1.00 0.00 H new ATOM 0 HE22 GLN A 11 78.005 -8.534 6.040 1.00 0.00 H new ATOM 174 N LEU A 12 76.546 -9.163 -0.458 1.00 0.00 N ATOM 175 CA LEU A 12 75.412 -9.958 -1.012 1.00 0.00 C ATOM 176 C LEU A 12 75.836 -10.652 -2.309 1.00 0.00 C ATOM 177 O LEU A 12 76.491 -10.069 -3.151 1.00 0.00 O ATOM 178 CB LEU A 12 74.311 -8.934 -1.284 1.00 0.00 C ATOM 179 CG LEU A 12 74.131 -8.040 -0.056 1.00 0.00 C ATOM 180 CD1 LEU A 12 73.223 -6.860 -0.410 1.00 0.00 C ATOM 181 CD2 LEU A 12 73.494 -8.852 1.073 1.00 0.00 C ATOM 0 H LEU A 12 76.616 -8.206 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 12 75.081 -10.741 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 12 74.569 -8.329 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 12 73.376 -9.443 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 12 75.102 -7.665 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 12 73.095 -6.224 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 12 73.675 -6.282 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 12 72.251 -7.233 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 12 73.365 -8.217 1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 12 72.523 -9.226 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.140 -9.693 1.326 1.00 0.00 H new ATOM 193 N THR A 13 75.467 -11.893 -2.476 1.00 0.00 N ATOM 194 CA THR A 13 75.848 -12.623 -3.718 1.00 0.00 C ATOM 195 C THR A 13 74.846 -12.325 -4.838 1.00 0.00 C ATOM 196 O THR A 13 73.728 -11.918 -4.591 1.00 0.00 O ATOM 197 CB THR A 13 75.801 -14.104 -3.336 1.00 0.00 C ATOM 198 OG1 THR A 13 74.933 -14.276 -2.227 1.00 0.00 O ATOM 199 CG2 THR A 13 77.205 -14.582 -2.968 1.00 0.00 C ATOM 0 H THR A 13 74.918 -12.432 -1.806 1.00 0.00 H new ATOM 0 HA THR A 13 76.830 -12.327 -4.086 1.00 0.00 H new ATOM 0 HB THR A 13 75.432 -14.687 -4.180 1.00 0.00 H new ATOM 0 HG1 THR A 13 74.900 -15.224 -1.981 1.00 0.00 H new ATOM 0 HG21 THR A 13 77.171 -15.637 -2.696 1.00 0.00 H new ATOM 0 HG22 THR A 13 77.870 -14.449 -3.821 1.00 0.00 H new ATOM 0 HG23 THR A 13 77.577 -14.002 -2.124 1.00 0.00 H new ATOM 207 N GLU A 14 75.237 -12.527 -6.066 1.00 0.00 N ATOM 208 CA GLU A 14 74.304 -12.258 -7.198 1.00 0.00 C ATOM 209 C GLU A 14 72.949 -12.921 -6.934 1.00 0.00 C ATOM 210 O GLU A 14 71.920 -12.448 -7.371 1.00 0.00 O ATOM 211 CB GLU A 14 74.977 -12.881 -8.421 1.00 0.00 C ATOM 212 CG GLU A 14 74.893 -14.406 -8.329 1.00 0.00 C ATOM 213 CD GLU A 14 76.041 -15.029 -9.125 1.00 0.00 C ATOM 214 OE1 GLU A 14 77.178 -14.671 -8.867 1.00 0.00 O ATOM 215 OE2 GLU A 14 75.763 -15.855 -9.980 1.00 0.00 O ATOM 0 H GLU A 14 76.161 -12.866 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 14 74.115 -11.193 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 14 74.491 -12.534 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 14 76.019 -12.566 -8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 14 74.946 -14.722 -7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 14 73.936 -14.752 -8.719 1.00 0.00 H new ATOM 222 N GLU A 15 72.944 -14.013 -6.219 1.00 0.00 N ATOM 223 CA GLU A 15 71.657 -14.707 -5.925 1.00 0.00 C ATOM 224 C GLU A 15 70.825 -13.881 -4.939 1.00 0.00 C ATOM 225 O GLU A 15 69.614 -13.838 -5.017 1.00 0.00 O ATOM 226 CB GLU A 15 72.061 -16.042 -5.301 1.00 0.00 C ATOM 227 CG GLU A 15 71.802 -17.172 -6.299 1.00 0.00 C ATOM 228 CD GLU A 15 72.725 -17.007 -7.507 1.00 0.00 C ATOM 229 OE1 GLU A 15 73.822 -17.540 -7.467 1.00 0.00 O ATOM 230 OE2 GLU A 15 72.320 -16.352 -8.452 1.00 0.00 O ATOM 0 H GLU A 15 73.775 -14.455 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 15 71.047 -14.844 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 15 73.115 -16.022 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 15 71.494 -16.214 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 15 71.976 -18.138 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 15 70.760 -17.157 -6.619 1.00 0.00 H new ATOM 237 N GLN A 16 71.468 -13.224 -4.012 1.00 0.00 N ATOM 238 CA GLN A 16 70.714 -12.400 -3.023 1.00 0.00 C ATOM 239 C GLN A 16 70.311 -11.064 -3.651 1.00 0.00 C ATOM 240 O GLN A 16 69.369 -10.425 -3.224 1.00 0.00 O ATOM 241 CB GLN A 16 71.692 -12.177 -1.869 1.00 0.00 C ATOM 242 CG GLN A 16 71.841 -13.473 -1.069 1.00 0.00 C ATOM 243 CD GLN A 16 71.089 -13.345 0.256 1.00 0.00 C ATOM 244 OE1 GLN A 16 71.682 -13.417 1.314 1.00 0.00 O ATOM 245 NE2 GLN A 16 69.798 -13.155 0.243 1.00 0.00 N ATOM 0 H GLN A 16 72.481 -13.222 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 16 69.796 -12.886 -2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 16 72.661 -11.862 -2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 16 71.332 -11.377 -1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 16 71.449 -14.313 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 16 72.895 -13.678 -0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 16 69.300 -13.095 -0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 16 69.287 -13.067 1.121 1.00 0.00 H new ATOM 254 N LYS A 17 71.015 -10.638 -4.662 1.00 0.00 N ATOM 255 CA LYS A 17 70.673 -9.344 -5.320 1.00 0.00 C ATOM 256 C LYS A 17 69.369 -9.483 -6.109 1.00 0.00 C ATOM 257 O LYS A 17 68.695 -8.511 -6.391 1.00 0.00 O ATOM 258 CB LYS A 17 71.842 -9.061 -6.264 1.00 0.00 C ATOM 259 CG LYS A 17 72.351 -7.636 -6.034 1.00 0.00 C ATOM 260 CD LYS A 17 73.816 -7.682 -5.597 1.00 0.00 C ATOM 261 CE LYS A 17 74.623 -6.661 -6.401 1.00 0.00 C ATOM 262 NZ LYS A 17 74.155 -5.333 -5.914 1.00 0.00 N ATOM 0 H LYS A 17 71.814 -11.130 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 17 70.525 -8.539 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 17 72.645 -9.778 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 17 71.524 -9.182 -7.300 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.251 -7.051 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.748 -7.142 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.895 -7.466 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.221 -8.682 -5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.693 -6.787 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 17 74.448 -6.773 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 74.626 -4.579 -6.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 73.126 -5.259 -6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 74.387 -5.232 -4.905 1.00 0.00 H new ATOM 276 N ASN A 18 69.009 -10.685 -6.468 1.00 0.00 N ATOM 277 CA ASN A 18 67.750 -10.889 -7.239 1.00 0.00 C ATOM 278 C ASN A 18 66.532 -10.635 -6.346 1.00 0.00 C ATOM 279 O ASN A 18 65.583 -9.988 -6.741 1.00 0.00 O ATOM 280 CB ASN A 18 67.792 -12.351 -7.683 1.00 0.00 C ATOM 281 CG ASN A 18 67.839 -12.420 -9.211 1.00 0.00 C ATOM 282 OD1 ASN A 18 66.994 -11.862 -9.882 1.00 0.00 O ATOM 283 ND2 ASN A 18 68.799 -13.087 -9.792 1.00 0.00 N ATOM 0 H ASN A 18 69.533 -11.535 -6.260 1.00 0.00 H new ATOM 0 HA ASN A 18 67.670 -10.206 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 18 68.666 -12.846 -7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 18 66.915 -12.880 -7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 18 68.840 -13.140 -10.810 1.00 0.00 H new ATOM 0 HD22 ASN A 18 69.508 -13.555 -9.228 1.00 0.00 H new ATOM 290 N GLU A 19 66.552 -11.143 -5.144 1.00 0.00 N ATOM 291 CA GLU A 19 65.395 -10.935 -4.225 1.00 0.00 C ATOM 292 C GLU A 19 65.061 -9.444 -4.119 1.00 0.00 C ATOM 293 O GLU A 19 63.939 -9.033 -4.341 1.00 0.00 O ATOM 294 CB GLU A 19 65.860 -11.478 -2.874 1.00 0.00 C ATOM 295 CG GLU A 19 65.032 -12.710 -2.508 1.00 0.00 C ATOM 296 CD GLU A 19 64.580 -12.605 -1.050 1.00 0.00 C ATOM 297 OE1 GLU A 19 65.415 -12.778 -0.178 1.00 0.00 O ATOM 298 OE2 GLU A 19 63.406 -12.354 -0.832 1.00 0.00 O ATOM 0 H GLU A 19 67.319 -11.693 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 19 64.494 -11.436 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.918 -11.738 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 19 65.752 -10.713 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.165 -12.787 -3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 19 65.623 -13.615 -2.653 1.00 0.00 H new ATOM 305 N PHE A 20 66.023 -8.631 -3.780 1.00 0.00 N ATOM 306 CA PHE A 20 65.755 -7.169 -3.659 1.00 0.00 C ATOM 307 C PHE A 20 65.262 -6.609 -4.995 1.00 0.00 C ATOM 308 O PHE A 20 64.344 -5.815 -5.047 1.00 0.00 O ATOM 309 CB PHE A 20 67.101 -6.547 -3.281 1.00 0.00 C ATOM 310 CG PHE A 20 67.153 -6.326 -1.788 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.112 -5.646 -1.145 1.00 0.00 C ATOM 312 CD2 PHE A 20 68.243 -6.798 -1.048 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.160 -5.439 0.239 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.291 -6.592 0.336 1.00 0.00 C ATOM 315 CZ PHE A 20 67.250 -5.912 0.979 1.00 0.00 C ATOM 0 H PHE A 20 66.982 -8.915 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 20 64.984 -6.952 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 20 67.916 -7.201 -3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.236 -5.600 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.272 -5.281 -1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.047 -7.321 -1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 20 65.357 -4.915 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 20 69.131 -6.958 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 20 67.288 -5.752 2.046 1.00 0.00 H new ATOM 325 N LYS A 21 65.868 -7.014 -6.077 1.00 0.00 N ATOM 326 CA LYS A 21 65.438 -6.506 -7.411 1.00 0.00 C ATOM 327 C LYS A 21 63.935 -6.727 -7.608 1.00 0.00 C ATOM 328 O LYS A 21 63.234 -5.875 -8.118 1.00 0.00 O ATOM 329 CB LYS A 21 66.235 -7.328 -8.423 1.00 0.00 C ATOM 330 CG LYS A 21 65.859 -6.896 -9.841 1.00 0.00 C ATOM 331 CD LYS A 21 66.797 -5.778 -10.299 1.00 0.00 C ATOM 332 CE LYS A 21 66.243 -5.136 -11.574 1.00 0.00 C ATOM 333 NZ LYS A 21 66.128 -6.256 -12.549 1.00 0.00 N ATOM 0 H LYS A 21 66.644 -7.676 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 21 65.617 -5.436 -7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 21 67.304 -7.188 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 21 66.029 -8.390 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.928 -7.745 -10.522 1.00 0.00 H new ATOM 0 HG3 LYS A 21 64.825 -6.551 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 21 66.896 -5.028 -9.515 1.00 0.00 H new ATOM 0 HD3 LYS A 21 67.794 -6.178 -10.484 1.00 0.00 H new ATOM 0 HE2 LYS A 21 65.275 -4.669 -11.393 1.00 0.00 H new ATOM 0 HE3 LYS A 21 66.908 -4.356 -11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 66.325 -5.903 -13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 66.813 -6.999 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 65.165 -6.648 -12.515 1.00 0.00 H new ATOM 347 N ALA A 22 63.435 -7.865 -7.210 1.00 0.00 N ATOM 348 CA ALA A 22 61.978 -8.140 -7.379 1.00 0.00 C ATOM 349 C ALA A 22 61.154 -7.223 -6.471 1.00 0.00 C ATOM 350 O ALA A 22 60.014 -6.914 -6.756 1.00 0.00 O ATOM 351 CB ALA A 22 61.801 -9.602 -6.968 1.00 0.00 C ATOM 0 H ALA A 22 63.971 -8.616 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 22 61.641 -7.959 -8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 22 60.752 -9.883 -7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 22 62.408 -10.237 -7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 22 62.117 -9.730 -5.933 1.00 0.00 H new ATOM 357 N ALA A 23 61.720 -6.787 -5.379 1.00 0.00 N ATOM 358 CA ALA A 23 60.963 -5.892 -4.456 1.00 0.00 C ATOM 359 C ALA A 23 61.419 -4.441 -4.635 1.00 0.00 C ATOM 360 O ALA A 23 60.883 -3.534 -4.030 1.00 0.00 O ATOM 361 CB ALA A 23 61.306 -6.391 -3.052 1.00 0.00 C ATOM 0 H ALA A 23 62.671 -7.011 -5.086 1.00 0.00 H new ATOM 0 HA ALA A 23 59.890 -5.914 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 23 60.786 -5.782 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 23 60.995 -7.431 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.382 -6.317 -2.892 1.00 0.00 H new ATOM 367 N PHE A 24 62.404 -4.215 -5.461 1.00 0.00 N ATOM 368 CA PHE A 24 62.892 -2.825 -5.674 1.00 0.00 C ATOM 369 C PHE A 24 62.207 -2.202 -6.894 1.00 0.00 C ATOM 370 O PHE A 24 61.677 -1.111 -6.831 1.00 0.00 O ATOM 371 CB PHE A 24 64.392 -2.972 -5.916 1.00 0.00 C ATOM 372 CG PHE A 24 65.010 -1.605 -6.061 1.00 0.00 C ATOM 373 CD1 PHE A 24 64.962 -0.946 -7.292 1.00 0.00 C ATOM 374 CD2 PHE A 24 65.628 -0.998 -4.964 1.00 0.00 C ATOM 375 CE1 PHE A 24 65.534 0.325 -7.429 1.00 0.00 C ATOM 376 CE2 PHE A 24 66.201 0.273 -5.098 1.00 0.00 C ATOM 377 CZ PHE A 24 66.154 0.934 -6.331 1.00 0.00 C ATOM 0 H PHE A 24 62.891 -4.933 -5.997 1.00 0.00 H new ATOM 0 HA PHE A 24 62.675 -2.174 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 24 64.855 -3.507 -5.087 1.00 0.00 H new ATOM 0 HB3 PHE A 24 64.571 -3.562 -6.815 1.00 0.00 H new ATOM 0 HD1 PHE A 24 64.484 -1.417 -8.138 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.664 -1.509 -4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 24 65.497 0.835 -8.380 1.00 0.00 H new ATOM 0 HE2 PHE A 24 66.679 0.743 -4.251 1.00 0.00 H new ATOM 0 HZ PHE A 24 66.596 1.914 -6.435 1.00 0.00 H new ATOM 387 N ASP A 25 62.214 -2.887 -8.007 1.00 0.00 N ATOM 388 CA ASP A 25 61.564 -2.329 -9.228 1.00 0.00 C ATOM 389 C ASP A 25 60.062 -2.146 -8.990 1.00 0.00 C ATOM 390 O ASP A 25 59.373 -1.518 -9.769 1.00 0.00 O ATOM 391 CB ASP A 25 61.809 -3.371 -10.321 1.00 0.00 C ATOM 392 CG ASP A 25 60.991 -3.011 -11.563 1.00 0.00 C ATOM 393 OD1 ASP A 25 61.379 -2.085 -12.255 1.00 0.00 O ATOM 394 OD2 ASP A 25 59.991 -3.668 -11.800 1.00 0.00 O ATOM 0 H ASP A 25 62.641 -3.806 -8.123 1.00 0.00 H new ATOM 0 HA ASP A 25 61.965 -1.352 -9.499 1.00 0.00 H new ATOM 0 HB2 ASP A 25 62.870 -3.410 -10.570 1.00 0.00 H new ATOM 0 HB3 ASP A 25 61.529 -4.362 -9.963 1.00 0.00 H new ATOM 399 N ILE A 26 59.552 -2.691 -7.921 1.00 0.00 N ATOM 400 CA ILE A 26 58.096 -2.550 -7.633 1.00 0.00 C ATOM 401 C ILE A 26 57.729 -1.074 -7.461 1.00 0.00 C ATOM 402 O ILE A 26 56.598 -0.679 -7.663 1.00 0.00 O ATOM 403 CB ILE A 26 57.875 -3.312 -6.330 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.127 -4.804 -6.572 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.435 -3.100 -5.856 1.00 0.00 C ATOM 406 CD1 ILE A 26 57.550 -5.620 -5.414 1.00 0.00 C ATOM 0 H ILE A 26 60.080 -3.228 -7.234 1.00 0.00 H new ATOM 0 HA ILE A 26 57.477 -2.937 -8.442 1.00 0.00 H new ATOM 0 HB ILE A 26 58.562 -2.947 -5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 26 57.667 -5.112 -7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 26 59.197 -4.992 -6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.275 -3.644 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 26 56.259 -2.037 -5.690 1.00 0.00 H new ATOM 0 HG23 ILE A 26 55.744 -3.468 -6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 26 57.731 -6.680 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 26 58.030 -5.320 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 26 56.477 -5.442 -5.343 1.00 0.00 H new ATOM 418 N PHE A 27 58.673 -0.255 -7.087 1.00 0.00 N ATOM 419 CA PHE A 27 58.371 1.193 -6.901 1.00 0.00 C ATOM 420 C PHE A 27 59.497 2.052 -7.483 1.00 0.00 C ATOM 421 O PHE A 27 59.787 3.125 -6.992 1.00 0.00 O ATOM 422 CB PHE A 27 58.277 1.385 -5.388 1.00 0.00 C ATOM 423 CG PHE A 27 57.031 0.707 -4.870 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.771 1.255 -5.143 1.00 0.00 C ATOM 425 CD2 PHE A 27 57.133 -0.468 -4.117 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.615 0.628 -4.663 1.00 0.00 C ATOM 427 CE2 PHE A 27 55.977 -1.096 -3.637 1.00 0.00 C ATOM 428 CZ PHE A 27 54.719 -0.548 -3.911 1.00 0.00 C ATOM 0 H PHE A 27 59.639 -0.525 -6.902 1.00 0.00 H new ATOM 0 HA PHE A 27 57.454 1.491 -7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 27 59.159 0.968 -4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 27 58.253 2.448 -5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.691 2.162 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 27 58.104 -0.891 -3.906 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.644 1.051 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 27 56.056 -2.003 -3.056 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.827 -1.033 -3.542 1.00 0.00 H new ATOM 438 N VAL A 28 60.130 1.592 -8.527 1.00 0.00 N ATOM 439 CA VAL A 28 61.233 2.388 -9.140 1.00 0.00 C ATOM 440 C VAL A 28 60.660 3.509 -10.001 1.00 0.00 C ATOM 441 O VAL A 28 61.366 4.377 -10.473 1.00 0.00 O ATOM 442 CB VAL A 28 62.011 1.387 -9.992 1.00 0.00 C ATOM 443 CG1 VAL A 28 61.249 1.103 -11.289 1.00 0.00 C ATOM 444 CG2 VAL A 28 63.389 1.964 -10.326 1.00 0.00 C ATOM 0 H VAL A 28 59.932 0.701 -8.982 1.00 0.00 H new ATOM 0 HA VAL A 28 61.869 2.864 -8.393 1.00 0.00 H new ATOM 0 HB VAL A 28 62.128 0.458 -9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 28 61.810 0.388 -11.891 1.00 0.00 H new ATOM 0 HG12 VAL A 28 60.269 0.688 -11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 28 61.124 2.030 -11.848 1.00 0.00 H new ATOM 0 HG21 VAL A 28 63.945 1.250 -10.934 1.00 0.00 H new ATOM 0 HG22 VAL A 28 63.269 2.896 -10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 28 63.936 2.158 -9.403 1.00 0.00 H new ATOM 454 N LEU A 29 59.381 3.490 -10.200 1.00 0.00 N ATOM 455 CA LEU A 29 58.727 4.545 -11.025 1.00 0.00 C ATOM 456 C LEU A 29 59.567 4.849 -12.269 1.00 0.00 C ATOM 457 O LEU A 29 59.514 5.935 -12.813 1.00 0.00 O ATOM 458 CB LEU A 29 58.659 5.772 -10.115 1.00 0.00 C ATOM 459 CG LEU A 29 57.234 5.938 -9.587 1.00 0.00 C ATOM 460 CD1 LEU A 29 57.020 5.009 -8.392 1.00 0.00 C ATOM 461 CD2 LEU A 29 57.021 7.389 -9.148 1.00 0.00 C ATOM 0 H LEU A 29 58.748 2.783 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 29 57.742 4.239 -11.377 1.00 0.00 H new ATOM 0 HB2 LEU A 29 59.355 5.660 -9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 29 58.960 6.663 -10.666 1.00 0.00 H new ATOM 0 HG LEU A 29 56.523 5.686 -10.374 1.00 0.00 H new ATOM 0 HD11 LEU A 29 56.004 5.128 -8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 29 57.173 3.975 -8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 29 57.730 5.260 -7.604 1.00 0.00 H new ATOM 0 HD21 LEU A 29 56.005 7.510 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 29 57.732 7.639 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 29 57.173 8.053 -9.999 1.00 0.00 H new ATOM 473 N GLY A 30 60.341 3.902 -12.723 1.00 0.00 N ATOM 474 CA GLY A 30 61.182 4.140 -13.932 1.00 0.00 C ATOM 475 C GLY A 30 61.832 5.522 -13.839 1.00 0.00 C ATOM 476 O GLY A 30 61.452 6.444 -14.532 1.00 0.00 O ATOM 0 H GLY A 30 60.428 2.974 -12.310 1.00 0.00 H new ATOM 0 HA2 GLY A 30 61.950 3.370 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.571 4.074 -14.832 1.00 0.00 H new ATOM 480 N ALA A 31 62.808 5.673 -12.986 1.00 0.00 N ATOM 481 CA ALA A 31 63.479 6.998 -12.849 1.00 0.00 C ATOM 482 C ALA A 31 64.685 7.083 -13.789 1.00 0.00 C ATOM 483 O ALA A 31 64.723 6.448 -14.824 1.00 0.00 O ATOM 484 CB ALA A 31 63.933 7.063 -11.392 1.00 0.00 C ATOM 0 H ALA A 31 63.170 4.938 -12.379 1.00 0.00 H new ATOM 0 HA ALA A 31 62.816 7.823 -13.108 1.00 0.00 H new ATOM 0 HB1 ALA A 31 64.438 8.012 -11.210 1.00 0.00 H new ATOM 0 HB2 ALA A 31 63.066 6.982 -10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 31 64.620 6.242 -11.188 1.00 0.00 H new ATOM 490 N GLU A 32 65.668 7.865 -13.436 1.00 0.00 N ATOM 491 CA GLU A 32 66.871 7.993 -14.309 1.00 0.00 C ATOM 492 C GLU A 32 67.505 6.620 -14.544 1.00 0.00 C ATOM 493 O GLU A 32 67.901 6.291 -15.645 1.00 0.00 O ATOM 494 CB GLU A 32 67.830 8.899 -13.537 1.00 0.00 C ATOM 495 CG GLU A 32 68.088 10.174 -14.342 1.00 0.00 C ATOM 496 CD GLU A 32 67.301 11.333 -13.730 1.00 0.00 C ATOM 497 OE1 GLU A 32 67.815 11.955 -12.814 1.00 0.00 O ATOM 498 OE2 GLU A 32 66.198 11.580 -14.187 1.00 0.00 O ATOM 0 H GLU A 32 65.691 8.421 -12.581 1.00 0.00 H new ATOM 0 HA GLU A 32 66.625 8.401 -15.289 1.00 0.00 H new ATOM 0 HB2 GLU A 32 67.406 9.150 -12.565 1.00 0.00 H new ATOM 0 HB3 GLU A 32 68.769 8.378 -13.351 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.153 10.405 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU A 32 67.791 10.027 -15.380 1.00 0.00 H new ATOM 505 N ASP A 33 67.608 5.815 -13.521 1.00 0.00 N ATOM 506 CA ASP A 33 68.223 4.468 -13.697 1.00 0.00 C ATOM 507 C ASP A 33 67.850 3.549 -12.529 1.00 0.00 C ATOM 508 O ASP A 33 68.546 3.477 -11.537 1.00 0.00 O ATOM 509 CB ASP A 33 69.731 4.724 -13.718 1.00 0.00 C ATOM 510 CG ASP A 33 70.169 5.077 -15.140 1.00 0.00 C ATOM 511 OD1 ASP A 33 70.310 4.167 -15.940 1.00 0.00 O ATOM 512 OD2 ASP A 33 70.356 6.253 -15.407 1.00 0.00 O ATOM 0 H ASP A 33 67.294 6.031 -12.575 1.00 0.00 H new ATOM 0 HA ASP A 33 67.877 3.974 -14.605 1.00 0.00 H new ATOM 0 HB2 ASP A 33 69.982 5.537 -13.037 1.00 0.00 H new ATOM 0 HB3 ASP A 33 70.266 3.840 -13.370 1.00 0.00 H new ATOM 517 N GLY A 34 66.760 2.842 -12.645 1.00 0.00 N ATOM 518 CA GLY A 34 66.344 1.923 -11.548 1.00 0.00 C ATOM 519 C GLY A 34 66.403 2.653 -10.206 1.00 0.00 C ATOM 520 O GLY A 34 67.084 2.234 -9.290 1.00 0.00 O ATOM 0 H GLY A 34 66.138 2.861 -13.453 1.00 0.00 H new ATOM 0 HA2 GLY A 34 65.332 1.560 -11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.997 1.050 -11.526 1.00 0.00 H new ATOM 524 N CYS A 35 65.691 3.738 -10.076 1.00 0.00 N ATOM 525 CA CYS A 35 65.703 4.488 -8.786 1.00 0.00 C ATOM 526 C CYS A 35 64.279 4.608 -8.238 1.00 0.00 C ATOM 527 O CYS A 35 63.342 4.855 -8.972 1.00 0.00 O ATOM 528 CB CYS A 35 66.264 5.868 -9.131 1.00 0.00 C ATOM 529 SG CYS A 35 67.799 5.680 -10.070 1.00 0.00 S ATOM 0 H CYS A 35 65.101 4.138 -10.806 1.00 0.00 H new ATOM 0 HA CYS A 35 66.299 3.989 -8.022 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.536 6.433 -9.714 1.00 0.00 H new ATOM 0 HB3 CYS A 35 66.451 6.435 -8.219 1.00 0.00 H new ATOM 0 HG CYS A 35 68.808 5.654 -9.251 1.00 0.00 H new ATOM 535 N ILE A 36 64.108 4.438 -6.956 1.00 0.00 N ATOM 536 CA ILE A 36 62.739 4.543 -6.371 1.00 0.00 C ATOM 537 C ILE A 36 62.625 5.806 -5.516 1.00 0.00 C ATOM 538 O ILE A 36 63.614 6.402 -5.134 1.00 0.00 O ATOM 539 CB ILE A 36 62.575 3.292 -5.509 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.580 3.331 -4.357 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.828 2.048 -6.362 1.00 0.00 C ATOM 542 CD1 ILE A 36 63.266 2.207 -3.367 1.00 0.00 C ATOM 0 H ILE A 36 64.852 4.232 -6.290 1.00 0.00 H new ATOM 0 HA ILE A 36 61.967 4.609 -7.138 1.00 0.00 H new ATOM 0 HB ILE A 36 61.562 3.258 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.594 3.219 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.535 4.297 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.711 1.155 -5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 36 62.113 2.019 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.841 2.082 -6.763 1.00 0.00 H new ATOM 0 HD11 ILE A 36 63.982 2.235 -2.546 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.258 2.339 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.334 1.245 -3.875 1.00 0.00 H new ATOM 554 N SER A 37 61.426 6.220 -5.214 1.00 0.00 N ATOM 555 CA SER A 37 61.243 7.445 -4.384 1.00 0.00 C ATOM 556 C SER A 37 61.420 7.114 -2.900 1.00 0.00 C ATOM 557 O SER A 37 61.048 6.052 -2.442 1.00 0.00 O ATOM 558 CB SER A 37 59.813 7.901 -4.665 1.00 0.00 C ATOM 559 OG SER A 37 58.945 7.360 -3.679 1.00 0.00 O ATOM 0 H SER A 37 60.563 5.762 -5.506 1.00 0.00 H new ATOM 0 HA SER A 37 61.973 8.218 -4.623 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.758 8.990 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.503 7.574 -5.658 1.00 0.00 H new ATOM 0 HG SER A 37 58.116 7.882 -3.651 1.00 0.00 H new ATOM 565 N THR A 38 61.985 8.017 -2.145 1.00 0.00 N ATOM 566 CA THR A 38 62.186 7.755 -0.690 1.00 0.00 C ATOM 567 C THR A 38 60.844 7.455 -0.016 1.00 0.00 C ATOM 568 O THR A 38 60.782 6.772 0.988 1.00 0.00 O ATOM 569 CB THR A 38 62.787 9.048 -0.136 1.00 0.00 C ATOM 570 OG1 THR A 38 62.245 10.159 -0.838 1.00 0.00 O ATOM 571 CG2 THR A 38 64.306 9.024 -0.311 1.00 0.00 C ATOM 0 H THR A 38 62.316 8.925 -2.472 1.00 0.00 H new ATOM 0 HA THR A 38 62.831 6.895 -0.510 1.00 0.00 H new ATOM 0 HB THR A 38 62.548 9.135 0.924 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.628 10.988 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 38 64.732 9.946 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.721 8.172 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.549 8.937 -1.370 1.00 0.00 H new ATOM 579 N LYS A 39 59.770 7.960 -0.560 1.00 0.00 N ATOM 580 CA LYS A 39 58.433 7.703 0.051 1.00 0.00 C ATOM 581 C LYS A 39 58.046 6.230 -0.118 1.00 0.00 C ATOM 582 O LYS A 39 57.476 5.624 0.767 1.00 0.00 O ATOM 583 CB LYS A 39 57.467 8.605 -0.716 1.00 0.00 C ATOM 584 CG LYS A 39 57.163 9.852 0.116 1.00 0.00 C ATOM 585 CD LYS A 39 55.710 10.276 -0.109 1.00 0.00 C ATOM 586 CE LYS A 39 55.670 11.479 -1.054 1.00 0.00 C ATOM 587 NZ LYS A 39 54.881 12.512 -0.328 1.00 0.00 N ATOM 0 H LYS A 39 59.760 8.539 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 39 58.421 7.911 1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 39 57.902 8.891 -1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 39 56.545 8.066 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 39 57.333 9.647 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 39 57.837 10.662 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 39 55.140 9.449 -0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 39 55.243 10.532 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 39 56.674 11.836 -1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 39 55.202 11.220 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 54.809 13.369 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 53.928 12.146 -0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 55.354 12.744 0.569 1.00 0.00 H new ATOM 601 N GLU A 40 58.352 5.651 -1.247 1.00 0.00 N ATOM 602 CA GLU A 40 58.001 4.219 -1.468 1.00 0.00 C ATOM 603 C GLU A 40 59.060 3.313 -0.834 1.00 0.00 C ATOM 604 O GLU A 40 58.754 2.276 -0.280 1.00 0.00 O ATOM 605 CB GLU A 40 57.983 4.044 -2.988 1.00 0.00 C ATOM 606 CG GLU A 40 56.989 5.032 -3.603 1.00 0.00 C ATOM 607 CD GLU A 40 55.568 4.488 -3.450 1.00 0.00 C ATOM 608 OE1 GLU A 40 55.401 3.284 -3.551 1.00 0.00 O ATOM 609 OE2 GLU A 40 54.668 5.285 -3.237 1.00 0.00 O ATOM 0 H GLU A 40 58.829 6.107 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 40 57.045 3.953 -1.018 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.980 4.213 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 40 57.702 3.022 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.073 6.002 -3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.219 5.187 -4.657 1.00 0.00 H new ATOM 616 N LEU A 41 60.305 3.699 -0.909 1.00 0.00 N ATOM 617 CA LEU A 41 61.383 2.862 -0.307 1.00 0.00 C ATOM 618 C LEU A 41 60.996 2.449 1.115 1.00 0.00 C ATOM 619 O LEU A 41 61.355 1.386 1.584 1.00 0.00 O ATOM 620 CB LEU A 41 62.621 3.766 -0.294 1.00 0.00 C ATOM 621 CG LEU A 41 63.817 3.037 0.338 1.00 0.00 C ATOM 622 CD1 LEU A 41 63.748 3.162 1.861 1.00 0.00 C ATOM 623 CD2 LEU A 41 63.801 1.556 -0.053 1.00 0.00 C ATOM 0 H LEU A 41 60.622 4.557 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 41 61.558 1.942 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.869 4.067 -1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.407 4.677 0.265 1.00 0.00 H new ATOM 0 HG LEU A 41 64.739 3.491 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 41 64.597 2.644 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 41 63.777 4.215 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 41 62.821 2.716 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 41 64.653 1.051 0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 41 62.877 1.097 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 41 63.861 1.465 -1.138 1.00 0.00 H new ATOM 635 N GLY A 42 60.262 3.279 1.804 1.00 0.00 N ATOM 636 CA GLY A 42 59.850 2.933 3.194 1.00 0.00 C ATOM 637 C GLY A 42 59.100 1.601 3.188 1.00 0.00 C ATOM 638 O GLY A 42 59.480 0.660 3.858 1.00 0.00 O ATOM 0 H GLY A 42 59.930 4.182 1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 42 60.727 2.866 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 42 59.214 3.719 3.602 1.00 0.00 H new ATOM 642 N LYS A 43 58.036 1.512 2.437 1.00 0.00 N ATOM 643 CA LYS A 43 57.263 0.237 2.389 1.00 0.00 C ATOM 644 C LYS A 43 58.138 -0.886 1.826 1.00 0.00 C ATOM 645 O LYS A 43 57.877 -2.054 2.035 1.00 0.00 O ATOM 646 CB LYS A 43 56.084 0.521 1.457 1.00 0.00 C ATOM 647 CG LYS A 43 55.269 1.698 2.000 1.00 0.00 C ATOM 648 CD LYS A 43 54.569 1.284 3.296 1.00 0.00 C ATOM 649 CE LYS A 43 53.304 0.488 2.963 1.00 0.00 C ATOM 650 NZ LYS A 43 52.178 1.337 3.440 1.00 0.00 N ATOM 0 H LYS A 43 57.669 2.265 1.855 1.00 0.00 H new ATOM 0 HA LYS A 43 56.930 -0.084 3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.447 0.749 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 43 55.452 -0.364 1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 43 55.922 2.551 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 43 54.532 2.014 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 43 55.240 0.681 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 43 54.312 2.167 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.228 0.297 1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.305 -0.482 3.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 51.276 0.858 3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 52.273 1.496 4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 52.198 2.251 2.944 1.00 0.00 H new ATOM 664 N VAL A 44 59.179 -0.541 1.117 1.00 0.00 N ATOM 665 CA VAL A 44 60.074 -1.586 0.546 1.00 0.00 C ATOM 666 C VAL A 44 61.107 -2.018 1.591 1.00 0.00 C ATOM 667 O VAL A 44 61.731 -3.054 1.470 1.00 0.00 O ATOM 668 CB VAL A 44 60.754 -0.913 -0.649 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.018 -1.688 -1.030 1.00 0.00 C ATOM 670 CG2 VAL A 44 59.792 -0.896 -1.839 1.00 0.00 C ATOM 0 H VAL A 44 59.448 0.421 0.909 1.00 0.00 H new ATOM 0 HA VAL A 44 59.533 -2.484 0.248 1.00 0.00 H new ATOM 0 HB VAL A 44 61.024 0.108 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.498 -1.205 -1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.706 -1.701 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.751 -2.711 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.275 -0.417 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 44 59.522 -1.918 -2.103 1.00 0.00 H new ATOM 0 HG23 VAL A 44 58.893 -0.340 -1.572 1.00 0.00 H new ATOM 680 N MET A 45 61.291 -1.233 2.615 1.00 0.00 N ATOM 681 CA MET A 45 62.281 -1.599 3.668 1.00 0.00 C ATOM 682 C MET A 45 61.604 -2.427 4.762 1.00 0.00 C ATOM 683 O MET A 45 62.238 -3.204 5.448 1.00 0.00 O ATOM 684 CB MET A 45 62.775 -0.266 4.230 1.00 0.00 C ATOM 685 CG MET A 45 64.028 0.176 3.471 1.00 0.00 C ATOM 686 SD MET A 45 65.062 1.190 4.555 1.00 0.00 S ATOM 687 CE MET A 45 65.862 -0.170 5.440 1.00 0.00 C ATOM 0 H MET A 45 60.799 -0.353 2.769 1.00 0.00 H new ATOM 0 HA MET A 45 63.100 -2.201 3.275 1.00 0.00 H new ATOM 0 HB2 MET A 45 61.996 0.491 4.138 1.00 0.00 H new ATOM 0 HB3 MET A 45 62.997 -0.367 5.292 1.00 0.00 H new ATOM 0 HG2 MET A 45 64.586 -0.696 3.129 1.00 0.00 H new ATOM 0 HG3 MET A 45 63.748 0.743 2.583 1.00 0.00 H new ATOM 0 HE1 MET A 45 66.596 0.232 6.138 1.00 0.00 H new ATOM 0 HE2 MET A 45 65.111 -0.738 5.990 1.00 0.00 H new ATOM 0 HE3 MET A 45 66.361 -0.825 4.726 1.00 0.00 H new ATOM 697 N ARG A 46 60.319 -2.269 4.929 1.00 0.00 N ATOM 698 CA ARG A 46 59.603 -3.050 5.977 1.00 0.00 C ATOM 699 C ARG A 46 59.381 -4.486 5.500 1.00 0.00 C ATOM 700 O ARG A 46 59.274 -5.405 6.289 1.00 0.00 O ATOM 701 CB ARG A 46 58.266 -2.332 6.166 1.00 0.00 C ATOM 702 CG ARG A 46 57.458 -2.402 4.870 1.00 0.00 C ATOM 703 CD ARG A 46 56.032 -1.907 5.127 1.00 0.00 C ATOM 704 NE ARG A 46 55.191 -3.135 5.117 1.00 0.00 N ATOM 705 CZ ARG A 46 53.961 -3.080 4.686 1.00 0.00 C ATOM 706 NH1 ARG A 46 53.720 -2.795 3.436 1.00 0.00 N ATOM 707 NH2 ARG A 46 52.971 -3.310 5.504 1.00 0.00 N ATOM 0 H ARG A 46 59.735 -1.634 4.386 1.00 0.00 H new ATOM 0 HA ARG A 46 60.166 -3.107 6.909 1.00 0.00 H new ATOM 0 HB2 ARG A 46 57.707 -2.792 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 46 58.436 -1.292 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 46 57.932 -1.793 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 46 57.437 -3.426 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 46 55.961 -1.387 6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 46 55.713 -1.204 4.357 1.00 0.00 H new ATOM 0 HE ARG A 46 55.577 -4.020 5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 46 54.493 -2.615 2.796 1.00 0.00 H new ATOM 0 HH12 ARG A 46 52.758 -2.752 3.099 1.00 0.00 H new ATOM 0 HH21 ARG A 46 53.158 -3.533 6.482 1.00 0.00 H new ATOM 0 HH22 ARG A 46 52.010 -3.267 5.166 1.00 0.00 H new ATOM 721 N MET A 47 59.310 -4.689 4.212 1.00 0.00 N ATOM 722 CA MET A 47 59.097 -6.066 3.683 1.00 0.00 C ATOM 723 C MET A 47 60.427 -6.823 3.633 1.00 0.00 C ATOM 724 O MET A 47 60.479 -8.020 3.842 1.00 0.00 O ATOM 725 CB MET A 47 58.540 -5.868 2.273 1.00 0.00 C ATOM 726 CG MET A 47 57.029 -5.645 2.345 1.00 0.00 C ATOM 727 SD MET A 47 56.253 -6.281 0.839 1.00 0.00 S ATOM 728 CE MET A 47 56.822 -4.978 -0.280 1.00 0.00 C ATOM 0 H MET A 47 59.390 -3.960 3.503 1.00 0.00 H new ATOM 0 HA MET A 47 58.422 -6.649 4.309 1.00 0.00 H new ATOM 0 HB2 MET A 47 59.022 -5.014 1.798 1.00 0.00 H new ATOM 0 HB3 MET A 47 58.760 -6.741 1.658 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.618 -6.149 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 47 56.812 -4.583 2.458 1.00 0.00 H new ATOM 0 HE1 MET A 47 56.351 -5.105 -1.255 1.00 0.00 H new ATOM 0 HE2 MET A 47 56.553 -4.004 0.129 1.00 0.00 H new ATOM 0 HE3 MET A 47 57.905 -5.039 -0.389 1.00 0.00 H new ATOM 738 N LEU A 48 61.503 -6.138 3.355 1.00 0.00 N ATOM 739 CA LEU A 48 62.826 -6.822 3.290 1.00 0.00 C ATOM 740 C LEU A 48 63.897 -5.980 3.991 1.00 0.00 C ATOM 741 O LEU A 48 65.059 -6.018 3.636 1.00 0.00 O ATOM 742 CB LEU A 48 63.135 -6.946 1.797 1.00 0.00 C ATOM 743 CG LEU A 48 62.113 -7.873 1.138 1.00 0.00 C ATOM 744 CD1 LEU A 48 61.281 -7.082 0.129 1.00 0.00 C ATOM 745 CD2 LEU A 48 62.846 -9.006 0.416 1.00 0.00 C ATOM 0 H LEU A 48 61.523 -5.135 3.170 1.00 0.00 H new ATOM 0 HA LEU A 48 62.812 -7.792 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 63.106 -5.963 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 48 64.142 -7.338 1.655 1.00 0.00 H new ATOM 0 HG LEU A 48 61.456 -8.291 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 48 60.553 -7.744 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 48 60.760 -6.274 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 48 61.937 -6.664 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 48 62.119 -9.668 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 48 63.502 -8.587 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 48 63.440 -9.571 1.134 1.00 0.00 H new ATOM 757 N GLY A 49 63.516 -5.222 4.982 1.00 0.00 N ATOM 758 CA GLY A 49 64.515 -4.379 5.700 1.00 0.00 C ATOM 759 C GLY A 49 64.004 -4.069 7.108 1.00 0.00 C ATOM 760 O GLY A 49 64.251 -3.009 7.649 1.00 0.00 O ATOM 0 H GLY A 49 62.558 -5.149 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 49 65.472 -4.898 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 49 64.686 -3.453 5.152 1.00 0.00 H new ATOM 764 N GLN A 50 63.292 -4.985 7.706 1.00 0.00 N ATOM 765 CA GLN A 50 62.765 -4.741 9.080 1.00 0.00 C ATOM 766 C GLN A 50 61.835 -3.523 9.075 1.00 0.00 C ATOM 767 O GLN A 50 61.830 -2.741 8.146 1.00 0.00 O ATOM 768 CB GLN A 50 64.000 -4.471 9.941 1.00 0.00 C ATOM 769 CG GLN A 50 65.086 -5.500 9.618 1.00 0.00 C ATOM 770 CD GLN A 50 65.442 -6.282 10.883 1.00 0.00 C ATOM 771 OE1 GLN A 50 66.522 -6.132 11.421 1.00 0.00 O ATOM 772 NE2 GLN A 50 64.575 -7.119 11.386 1.00 0.00 N ATOM 0 H GLN A 50 63.052 -5.891 7.303 1.00 0.00 H new ATOM 0 HA GLN A 50 62.187 -5.584 9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 50 64.372 -3.464 9.755 1.00 0.00 H new ATOM 0 HB3 GLN A 50 63.738 -4.524 10.998 1.00 0.00 H new ATOM 0 HG2 GLN A 50 64.736 -6.182 8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 50 65.971 -4.999 9.226 1.00 0.00 H new ATOM 0 HE21 GLN A 50 63.668 -7.246 10.936 1.00 0.00 H new ATOM 0 HE22 GLN A 50 64.804 -7.646 12.229 1.00 0.00 H new ATOM 781 N ASN A 51 61.050 -3.360 10.104 1.00 0.00 N ATOM 782 CA ASN A 51 60.122 -2.192 10.151 1.00 0.00 C ATOM 783 C ASN A 51 60.593 -1.179 11.199 1.00 0.00 C ATOM 784 O ASN A 51 60.093 -1.152 12.306 1.00 0.00 O ATOM 785 CB ASN A 51 58.766 -2.779 10.542 1.00 0.00 C ATOM 786 CG ASN A 51 58.864 -3.419 11.928 1.00 0.00 C ATOM 787 OD1 ASN A 51 59.440 -4.477 12.082 1.00 0.00 O ATOM 788 ND2 ASN A 51 58.320 -2.816 12.950 1.00 0.00 N ATOM 0 H ASN A 51 61.010 -3.981 10.912 1.00 0.00 H new ATOM 0 HA ASN A 51 60.078 -1.663 9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 51 58.007 -1.997 10.544 1.00 0.00 H new ATOM 0 HB3 ASN A 51 58.455 -3.523 9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 51 58.379 -3.233 13.879 1.00 0.00 H new ATOM 0 HD22 ASN A 51 57.836 -1.927 12.820 1.00 0.00 H new ATOM 795 N PRO A 52 61.542 -0.375 10.807 1.00 0.00 N ATOM 796 CA PRO A 52 62.091 0.659 11.717 1.00 0.00 C ATOM 797 C PRO A 52 61.089 1.805 11.887 1.00 0.00 C ATOM 798 O PRO A 52 59.911 1.654 11.629 1.00 0.00 O ATOM 799 CB PRO A 52 63.351 1.136 11.000 1.00 0.00 C ATOM 800 CG PRO A 52 63.113 0.836 9.553 1.00 0.00 C ATOM 801 CD PRO A 52 62.189 -0.354 9.490 1.00 0.00 C ATOM 0 HA PRO A 52 62.296 0.284 12.720 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.516 2.202 11.160 1.00 0.00 H new ATOM 0 HB3 PRO A 52 64.235 0.617 11.370 1.00 0.00 H new ATOM 0 HG2 PRO A 52 62.669 1.695 9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 52 64.053 0.620 9.045 1.00 0.00 H new ATOM 0 HD2 PRO A 52 61.458 -0.249 8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.739 -1.276 9.301 1.00 0.00 H new ATOM 809 N THR A 53 61.544 2.949 12.320 1.00 0.00 N ATOM 810 CA THR A 53 60.612 4.100 12.505 1.00 0.00 C ATOM 811 C THR A 53 60.624 4.999 11.267 1.00 0.00 C ATOM 812 O THR A 53 61.558 4.976 10.490 1.00 0.00 O ATOM 813 CB THR A 53 61.152 4.857 13.721 1.00 0.00 C ATOM 814 OG1 THR A 53 62.454 5.345 13.433 1.00 0.00 O ATOM 815 CG2 THR A 53 61.210 3.918 14.925 1.00 0.00 C ATOM 0 H THR A 53 62.519 3.137 12.554 1.00 0.00 H new ATOM 0 HA THR A 53 59.582 3.775 12.650 1.00 0.00 H new ATOM 0 HB THR A 53 60.493 5.695 13.950 1.00 0.00 H new ATOM 0 HG1 THR A 53 62.800 5.831 14.210 1.00 0.00 H new ATOM 0 HG21 THR A 53 61.595 4.459 15.790 1.00 0.00 H new ATOM 0 HG22 THR A 53 60.209 3.546 15.145 1.00 0.00 H new ATOM 0 HG23 THR A 53 61.868 3.078 14.700 1.00 0.00 H new ATOM 823 N PRO A 54 59.578 5.768 11.128 1.00 0.00 N ATOM 824 CA PRO A 54 59.459 6.693 9.975 1.00 0.00 C ATOM 825 C PRO A 54 60.418 7.875 10.137 1.00 0.00 C ATOM 826 O PRO A 54 60.663 8.622 9.209 1.00 0.00 O ATOM 827 CB PRO A 54 58.006 7.158 10.039 1.00 0.00 C ATOM 828 CG PRO A 54 57.610 6.992 11.472 1.00 0.00 C ATOM 829 CD PRO A 54 58.419 5.847 12.024 1.00 0.00 C ATOM 0 HA PRO A 54 59.711 6.227 9.023 1.00 0.00 H new ATOM 0 HB2 PRO A 54 57.909 8.196 9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.372 6.562 9.383 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.803 7.906 12.034 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.543 6.786 11.556 1.00 0.00 H new ATOM 0 HD2 PRO A 54 58.723 6.033 13.054 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.849 4.918 12.022 1.00 0.00 H new ATOM 837 N GLU A 55 60.964 8.051 11.310 1.00 0.00 N ATOM 838 CA GLU A 55 61.908 9.185 11.532 1.00 0.00 C ATOM 839 C GLU A 55 63.314 8.801 11.063 1.00 0.00 C ATOM 840 O GLU A 55 63.980 9.558 10.384 1.00 0.00 O ATOM 841 CB GLU A 55 61.892 9.424 13.042 1.00 0.00 C ATOM 842 CG GLU A 55 60.620 10.179 13.427 1.00 0.00 C ATOM 843 CD GLU A 55 60.600 10.411 14.939 1.00 0.00 C ATOM 844 OE1 GLU A 55 61.667 10.582 15.506 1.00 0.00 O ATOM 845 OE2 GLU A 55 59.519 10.414 15.505 1.00 0.00 O ATOM 0 H GLU A 55 60.798 7.459 12.124 1.00 0.00 H new ATOM 0 HA GLU A 55 61.621 10.077 10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 55 61.937 8.472 13.572 1.00 0.00 H new ATOM 0 HB3 GLU A 55 62.771 9.996 13.339 1.00 0.00 H new ATOM 0 HG2 GLU A 55 60.578 11.133 12.902 1.00 0.00 H new ATOM 0 HG3 GLU A 55 59.741 9.610 13.124 1.00 0.00 H new ATOM 852 N GLU A 56 63.771 7.632 11.420 1.00 0.00 N ATOM 853 CA GLU A 56 65.135 7.202 10.994 1.00 0.00 C ATOM 854 C GLU A 56 65.176 7.010 9.476 1.00 0.00 C ATOM 855 O GLU A 56 66.231 6.906 8.881 1.00 0.00 O ATOM 856 CB GLU A 56 65.372 5.871 11.709 1.00 0.00 C ATOM 857 CG GLU A 56 66.040 6.128 13.061 1.00 0.00 C ATOM 858 CD GLU A 56 67.224 5.176 13.236 1.00 0.00 C ATOM 859 OE1 GLU A 56 67.383 4.300 12.400 1.00 0.00 O ATOM 860 OE2 GLU A 56 67.953 5.338 14.201 1.00 0.00 O ATOM 0 H GLU A 56 63.260 6.956 11.988 1.00 0.00 H new ATOM 0 HA GLU A 56 65.898 7.939 11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 56 64.425 5.350 11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 56 66.002 5.225 11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 56 66.380 7.162 13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.321 5.983 13.867 1.00 0.00 H new ATOM 867 N LEU A 57 64.035 6.963 8.843 1.00 0.00 N ATOM 868 CA LEU A 57 64.007 6.778 7.364 1.00 0.00 C ATOM 869 C LEU A 57 64.432 8.069 6.661 1.00 0.00 C ATOM 870 O LEU A 57 65.362 8.085 5.879 1.00 0.00 O ATOM 871 CB LEU A 57 62.553 6.443 7.035 1.00 0.00 C ATOM 872 CG LEU A 57 62.460 5.004 6.525 1.00 0.00 C ATOM 873 CD1 LEU A 57 63.337 4.846 5.282 1.00 0.00 C ATOM 874 CD2 LEU A 57 62.944 4.046 7.615 1.00 0.00 C ATOM 0 H LEU A 57 63.120 7.045 9.287 1.00 0.00 H new ATOM 0 HA LEU A 57 64.691 5.997 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 57 61.931 6.566 7.922 1.00 0.00 H new ATOM 0 HB3 LEU A 57 62.172 7.132 6.281 1.00 0.00 H new ATOM 0 HG LEU A 57 61.425 4.774 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 57 63.271 3.821 4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 57 62.994 5.529 4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 57 64.372 5.075 5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 57 62.878 3.020 7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 57 63.979 4.276 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 57 62.320 4.159 8.502 1.00 0.00 H new ATOM 886 N GLN A 58 63.758 9.153 6.932 1.00 0.00 N ATOM 887 CA GLN A 58 64.122 10.442 6.279 1.00 0.00 C ATOM 888 C GLN A 58 65.497 10.912 6.761 1.00 0.00 C ATOM 889 O GLN A 58 66.134 11.740 6.140 1.00 0.00 O ATOM 890 CB GLN A 58 63.037 11.427 6.716 1.00 0.00 C ATOM 891 CG GLN A 58 61.770 11.191 5.891 1.00 0.00 C ATOM 892 CD GLN A 58 62.082 11.390 4.406 1.00 0.00 C ATOM 893 OE1 GLN A 58 62.088 12.502 3.918 1.00 0.00 O ATOM 894 NE2 GLN A 58 62.345 10.350 3.663 1.00 0.00 N ATOM 0 H GLN A 58 62.970 9.202 7.578 1.00 0.00 H new ATOM 0 HA GLN A 58 64.180 10.352 5.194 1.00 0.00 H new ATOM 0 HB2 GLN A 58 62.822 11.300 7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.385 12.451 6.582 1.00 0.00 H new ATOM 0 HG2 GLN A 58 61.395 10.182 6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 58 60.986 11.880 6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 58 62.340 9.416 4.073 1.00 0.00 H new ATOM 0 HE22 GLN A 58 62.556 10.471 2.672 1.00 0.00 H new ATOM 903 N GLU A 59 65.959 10.391 7.863 1.00 0.00 N ATOM 904 CA GLU A 59 67.292 10.810 8.384 1.00 0.00 C ATOM 905 C GLU A 59 68.409 10.123 7.592 1.00 0.00 C ATOM 906 O GLU A 59 69.374 10.744 7.195 1.00 0.00 O ATOM 907 CB GLU A 59 67.308 10.353 9.843 1.00 0.00 C ATOM 908 CG GLU A 59 66.435 11.288 10.681 1.00 0.00 C ATOM 909 CD GLU A 59 67.013 12.705 10.637 1.00 0.00 C ATOM 910 OE1 GLU A 59 68.116 12.857 10.137 1.00 0.00 O ATOM 911 OE2 GLU A 59 66.343 13.611 11.102 1.00 0.00 O ATOM 0 H GLU A 59 65.472 9.693 8.426 1.00 0.00 H new ATOM 0 HA GLU A 59 67.453 11.884 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 59 66.940 9.330 9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 59 68.329 10.353 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 59 65.414 11.289 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 59 66.390 10.934 11.711 1.00 0.00 H new ATOM 918 N MET A 60 68.286 8.845 7.360 1.00 0.00 N ATOM 919 CA MET A 60 69.340 8.120 6.594 1.00 0.00 C ATOM 920 C MET A 60 69.380 8.622 5.148 1.00 0.00 C ATOM 921 O MET A 60 70.431 8.735 4.549 1.00 0.00 O ATOM 922 CB MET A 60 68.923 6.650 6.642 1.00 0.00 C ATOM 923 CG MET A 60 70.091 5.805 7.154 1.00 0.00 C ATOM 924 SD MET A 60 69.608 4.976 8.689 1.00 0.00 S ATOM 925 CE MET A 60 69.172 3.379 7.957 1.00 0.00 C ATOM 0 H MET A 60 67.501 8.271 7.668 1.00 0.00 H new ATOM 0 HA MET A 60 70.335 8.274 7.011 1.00 0.00 H new ATOM 0 HB2 MET A 60 68.058 6.527 7.294 1.00 0.00 H new ATOM 0 HB3 MET A 60 68.624 6.313 5.649 1.00 0.00 H new ATOM 0 HG2 MET A 60 70.377 5.067 6.404 1.00 0.00 H new ATOM 0 HG3 MET A 60 70.962 6.437 7.328 1.00 0.00 H new ATOM 0 HE1 MET A 60 69.202 2.606 8.725 1.00 0.00 H new ATOM 0 HE2 MET A 60 68.168 3.434 7.536 1.00 0.00 H new ATOM 0 HE3 MET A 60 69.883 3.134 7.168 1.00 0.00 H new ATOM 935 N ILE A 61 68.243 8.922 4.583 1.00 0.00 N ATOM 936 CA ILE A 61 68.215 9.416 3.176 1.00 0.00 C ATOM 937 C ILE A 61 68.829 10.816 3.092 1.00 0.00 C ATOM 938 O ILE A 61 69.224 11.269 2.037 1.00 0.00 O ATOM 939 CB ILE A 61 66.733 9.459 2.803 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.171 8.035 2.784 1.00 0.00 C ATOM 941 CG2 ILE A 61 66.570 10.089 1.420 1.00 0.00 C ATOM 942 CD1 ILE A 61 64.691 8.066 3.169 1.00 0.00 C ATOM 0 H ILE A 61 67.331 8.847 5.034 1.00 0.00 H new ATOM 0 HA ILE A 61 68.788 8.778 2.503 1.00 0.00 H new ATOM 0 HB ILE A 61 66.192 10.055 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.291 7.598 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 61 66.725 7.404 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 61 65.513 10.119 1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 61 66.969 11.103 1.433 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.111 9.495 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.290 7.052 3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.584 8.485 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.143 8.682 2.457 1.00 0.00 H new ATOM 954 N ASP A 62 68.910 11.506 4.197 1.00 0.00 N ATOM 955 CA ASP A 62 69.496 12.877 4.178 1.00 0.00 C ATOM 956 C ASP A 62 70.932 12.836 3.650 1.00 0.00 C ATOM 957 O ASP A 62 71.253 13.449 2.651 1.00 0.00 O ATOM 958 CB ASP A 62 69.473 13.339 5.636 1.00 0.00 C ATOM 959 CG ASP A 62 69.731 14.845 5.697 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.802 15.596 5.448 1.00 0.00 O ATOM 961 OD2 ASP A 62 70.853 15.224 5.991 1.00 0.00 O ATOM 0 H ASP A 62 68.596 11.180 5.111 1.00 0.00 H new ATOM 0 HA ASP A 62 68.940 13.552 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 62 68.509 13.106 6.087 1.00 0.00 H new ATOM 0 HB3 ASP A 62 70.231 12.806 6.210 1.00 0.00 H new ATOM 966 N GLU A 63 71.800 12.121 4.313 1.00 0.00 N ATOM 967 CA GLU A 63 73.215 12.048 3.847 1.00 0.00 C ATOM 968 C GLU A 63 73.386 10.910 2.835 1.00 0.00 C ATOM 969 O GLU A 63 74.436 10.743 2.248 1.00 0.00 O ATOM 970 CB GLU A 63 74.032 11.767 5.109 1.00 0.00 C ATOM 971 CG GLU A 63 73.933 12.962 6.059 1.00 0.00 C ATOM 972 CD GLU A 63 74.803 12.710 7.292 1.00 0.00 C ATOM 973 OE1 GLU A 63 74.805 11.588 7.772 1.00 0.00 O ATOM 974 OE2 GLU A 63 75.454 13.642 7.734 1.00 0.00 O ATOM 0 H GLU A 63 71.591 11.585 5.155 1.00 0.00 H new ATOM 0 HA GLU A 63 73.531 12.964 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 63 73.663 10.867 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 63 75.074 11.583 4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 63 74.258 13.871 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 63 72.896 13.117 6.358 1.00 0.00 H new ATOM 981 N VAL A 64 72.364 10.129 2.626 1.00 0.00 N ATOM 982 CA VAL A 64 72.474 9.005 1.652 1.00 0.00 C ATOM 983 C VAL A 64 72.052 9.469 0.254 1.00 0.00 C ATOM 984 O VAL A 64 72.612 9.055 -0.741 1.00 0.00 O ATOM 985 CB VAL A 64 71.516 7.934 2.173 1.00 0.00 C ATOM 986 CG1 VAL A 64 71.236 6.913 1.068 1.00 0.00 C ATOM 987 CG2 VAL A 64 72.152 7.223 3.371 1.00 0.00 C ATOM 0 H VAL A 64 71.458 10.219 3.086 1.00 0.00 H new ATOM 0 HA VAL A 64 73.495 8.633 1.567 1.00 0.00 H new ATOM 0 HB VAL A 64 70.581 8.403 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.553 6.150 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.785 7.417 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.171 6.444 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 64 71.470 6.459 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.087 6.756 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.352 7.948 4.160 1.00 0.00 H new ATOM 997 N ASP A 65 71.069 10.321 0.172 1.00 0.00 N ATOM 998 CA ASP A 65 70.613 10.806 -1.162 1.00 0.00 C ATOM 999 C ASP A 65 71.226 12.174 -1.471 1.00 0.00 C ATOM 1000 O ASP A 65 70.539 13.101 -1.853 1.00 0.00 O ATOM 1001 CB ASP A 65 69.092 10.914 -1.048 1.00 0.00 C ATOM 1002 CG ASP A 65 68.445 9.676 -1.671 1.00 0.00 C ATOM 1003 OD1 ASP A 65 69.166 8.731 -1.946 1.00 0.00 O ATOM 1004 OD2 ASP A 65 67.240 9.694 -1.862 1.00 0.00 O ATOM 0 H ASP A 65 70.561 10.703 0.970 1.00 0.00 H new ATOM 0 HA ASP A 65 70.915 10.136 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.800 11.002 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.742 11.814 -1.553 1.00 0.00 H new ATOM 1043 N SER A 69 68.656 13.320 -4.554 1.00 0.00 N ATOM 1044 CA SER A 69 67.653 14.406 -4.364 1.00 0.00 C ATOM 1045 C SER A 69 66.315 13.818 -3.906 1.00 0.00 C ATOM 1046 O SER A 69 65.263 14.372 -4.159 1.00 0.00 O ATOM 1047 CB SER A 69 67.510 15.058 -5.739 1.00 0.00 C ATOM 1048 OG SER A 69 68.789 15.144 -6.353 1.00 0.00 O ATOM 0 HA SER A 69 67.961 15.123 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 69 66.833 14.474 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 69 67.074 16.052 -5.639 1.00 0.00 H new ATOM 0 HG SER A 69 69.357 14.414 -6.029 1.00 0.00 H new ATOM 1054 N GLY A 70 66.346 12.701 -3.232 1.00 0.00 N ATOM 1055 CA GLY A 70 65.077 12.082 -2.758 1.00 0.00 C ATOM 1056 C GLY A 70 64.859 10.748 -3.477 1.00 0.00 C ATOM 1057 O GLY A 70 63.761 10.230 -3.524 1.00 0.00 O ATOM 0 H GLY A 70 67.195 12.191 -2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 70 65.118 11.924 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 70 64.239 12.752 -2.951 1.00 0.00 H new ATOM 1061 N THR A 71 65.897 10.189 -4.037 1.00 0.00 N ATOM 1062 CA THR A 71 65.748 8.889 -4.752 1.00 0.00 C ATOM 1063 C THR A 71 66.924 7.966 -4.421 1.00 0.00 C ATOM 1064 O THR A 71 68.062 8.387 -4.375 1.00 0.00 O ATOM 1065 CB THR A 71 65.752 9.249 -6.238 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.885 10.057 -6.525 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.475 10.018 -6.584 1.00 0.00 C ATOM 0 H THR A 71 66.841 10.576 -4.031 1.00 0.00 H new ATOM 0 HA THR A 71 64.839 8.362 -4.463 1.00 0.00 H new ATOM 0 HB THR A 71 65.795 8.336 -6.832 1.00 0.00 H new ATOM 0 HG1 THR A 71 67.669 9.698 -6.060 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.480 10.274 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.606 9.398 -6.364 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.428 10.931 -5.991 1.00 0.00 H new ATOM 1075 N VAL A 72 66.656 6.711 -4.189 1.00 0.00 N ATOM 1076 CA VAL A 72 67.760 5.761 -3.860 1.00 0.00 C ATOM 1077 C VAL A 72 68.010 4.795 -5.015 1.00 0.00 C ATOM 1078 O VAL A 72 67.193 4.634 -5.900 1.00 0.00 O ATOM 1079 CB VAL A 72 67.300 4.979 -2.624 1.00 0.00 C ATOM 1080 CG1 VAL A 72 67.618 5.786 -1.372 1.00 0.00 C ATOM 1081 CG2 VAL A 72 65.792 4.711 -2.690 1.00 0.00 C ATOM 0 H VAL A 72 65.722 6.301 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 72 68.690 6.299 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 72 67.824 4.024 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.292 5.234 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 72 68.692 5.960 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.097 6.742 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 72 65.482 4.155 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.255 5.659 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.565 4.128 -3.583 1.00 0.00 H new ATOM 1091 N ASP A 73 69.135 4.140 -4.996 1.00 0.00 N ATOM 1092 CA ASP A 73 69.460 3.162 -6.069 1.00 0.00 C ATOM 1093 C ASP A 73 69.962 1.867 -5.429 1.00 0.00 C ATOM 1094 O ASP A 73 70.063 1.762 -4.224 1.00 0.00 O ATOM 1095 CB ASP A 73 70.566 3.823 -6.893 1.00 0.00 C ATOM 1096 CG ASP A 73 70.155 3.859 -8.365 1.00 0.00 C ATOM 1097 OD1 ASP A 73 69.722 2.833 -8.864 1.00 0.00 O ATOM 1098 OD2 ASP A 73 70.279 4.911 -8.970 1.00 0.00 O ATOM 0 H ASP A 73 69.850 4.241 -4.276 1.00 0.00 H new ATOM 0 HA ASP A 73 68.600 2.911 -6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 73 70.748 4.835 -6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 73 71.499 3.271 -6.779 1.00 0.00 H new ATOM 1103 N PHE A 74 70.274 0.879 -6.216 1.00 0.00 N ATOM 1104 CA PHE A 74 70.766 -0.398 -5.630 1.00 0.00 C ATOM 1105 C PHE A 74 72.001 -0.136 -4.763 1.00 0.00 C ATOM 1106 O PHE A 74 72.386 -0.955 -3.952 1.00 0.00 O ATOM 1107 CB PHE A 74 71.123 -1.277 -6.828 1.00 0.00 C ATOM 1108 CG PHE A 74 70.646 -2.687 -6.579 1.00 0.00 C ATOM 1109 CD1 PHE A 74 71.279 -3.479 -5.613 1.00 0.00 C ATOM 1110 CD2 PHE A 74 69.571 -3.204 -7.313 1.00 0.00 C ATOM 1111 CE1 PHE A 74 70.836 -4.787 -5.381 1.00 0.00 C ATOM 1112 CE2 PHE A 74 69.130 -4.512 -7.081 1.00 0.00 C ATOM 1113 CZ PHE A 74 69.762 -5.303 -6.114 1.00 0.00 C ATOM 0 H PHE A 74 70.211 0.898 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 74 70.023 -0.873 -4.990 1.00 0.00 H new ATOM 0 HB2 PHE A 74 70.663 -0.881 -7.733 1.00 0.00 H new ATOM 0 HB3 PHE A 74 72.201 -1.270 -6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 74 72.108 -3.081 -5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 74 69.082 -2.593 -8.058 1.00 0.00 H new ATOM 0 HE1 PHE A 74 71.324 -5.398 -4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 74 68.302 -4.911 -7.648 1.00 0.00 H new ATOM 0 HZ PHE A 74 69.420 -6.312 -5.934 1.00 0.00 H new ATOM 1123 N ASP A 75 72.622 1.000 -4.928 1.00 0.00 N ATOM 1124 CA ASP A 75 73.830 1.314 -4.111 1.00 0.00 C ATOM 1125 C ASP A 75 73.419 1.968 -2.788 1.00 0.00 C ATOM 1126 O ASP A 75 74.013 1.726 -1.755 1.00 0.00 O ATOM 1127 CB ASP A 75 74.642 2.291 -4.962 1.00 0.00 C ATOM 1128 CG ASP A 75 76.026 2.480 -4.341 1.00 0.00 C ATOM 1129 OD1 ASP A 75 76.572 1.505 -3.849 1.00 0.00 O ATOM 1130 OD2 ASP A 75 76.519 3.596 -4.366 1.00 0.00 O ATOM 0 H ASP A 75 72.346 1.724 -5.592 1.00 0.00 H new ATOM 0 HA ASP A 75 74.401 0.420 -3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 75 74.737 1.912 -5.979 1.00 0.00 H new ATOM 0 HB3 ASP A 75 74.127 3.249 -5.026 1.00 0.00 H new ATOM 1135 N GLU A 76 72.408 2.794 -2.808 1.00 0.00 N ATOM 1136 CA GLU A 76 71.965 3.460 -1.550 1.00 0.00 C ATOM 1137 C GLU A 76 70.983 2.564 -0.793 1.00 0.00 C ATOM 1138 O GLU A 76 71.130 2.326 0.390 1.00 0.00 O ATOM 1139 CB GLU A 76 71.277 4.748 -2.005 1.00 0.00 C ATOM 1140 CG GLU A 76 72.188 5.496 -2.979 1.00 0.00 C ATOM 1141 CD GLU A 76 71.385 6.577 -3.704 1.00 0.00 C ATOM 1142 OE1 GLU A 76 71.225 7.647 -3.140 1.00 0.00 O ATOM 1143 OE2 GLU A 76 70.944 6.318 -4.811 1.00 0.00 O ATOM 0 H GLU A 76 71.870 3.036 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 76 72.796 3.659 -0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.327 4.515 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 76 71.053 5.377 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 76 73.021 5.947 -2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 76 72.615 4.800 -3.701 1.00 0.00 H new ATOM 1150 N PHE A 77 69.981 2.062 -1.463 1.00 0.00 N ATOM 1151 CA PHE A 77 68.995 1.182 -0.775 1.00 0.00 C ATOM 1152 C PHE A 77 69.725 0.117 0.047 1.00 0.00 C ATOM 1153 O PHE A 77 69.461 -0.065 1.219 1.00 0.00 O ATOM 1154 CB PHE A 77 68.189 0.536 -1.902 1.00 0.00 C ATOM 1155 CG PHE A 77 67.244 -0.487 -1.321 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.673 -0.274 -0.060 1.00 0.00 C ATOM 1157 CD2 PHE A 77 66.941 -1.649 -2.039 1.00 0.00 C ATOM 1158 CE1 PHE A 77 65.797 -1.222 0.481 1.00 0.00 C ATOM 1159 CE2 PHE A 77 66.066 -2.598 -1.498 1.00 0.00 C ATOM 1160 CZ PHE A 77 65.494 -2.385 -0.238 1.00 0.00 C ATOM 0 H PHE A 77 69.803 2.223 -2.454 1.00 0.00 H new ATOM 0 HA PHE A 77 68.357 1.733 -0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.629 1.297 -2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.860 0.062 -2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.909 0.622 0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 77 67.382 -1.814 -3.011 1.00 0.00 H new ATOM 0 HE1 PHE A 77 65.355 -1.057 1.452 1.00 0.00 H new ATOM 0 HE2 PHE A 77 65.832 -3.495 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 77 64.819 -3.118 0.179 1.00 0.00 H new ATOM 1170 N LEU A 78 70.645 -0.585 -0.556 1.00 0.00 N ATOM 1171 CA LEU A 78 71.392 -1.634 0.196 1.00 0.00 C ATOM 1172 C LEU A 78 72.063 -1.020 1.427 1.00 0.00 C ATOM 1173 O LEU A 78 71.977 -1.547 2.519 1.00 0.00 O ATOM 1174 CB LEU A 78 72.439 -2.156 -0.786 1.00 0.00 C ATOM 1175 CG LEU A 78 71.871 -3.359 -1.540 1.00 0.00 C ATOM 1176 CD1 LEU A 78 70.650 -2.922 -2.349 1.00 0.00 C ATOM 1177 CD2 LEU A 78 72.935 -3.919 -2.486 1.00 0.00 C ATOM 0 H LEU A 78 70.912 -0.478 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 78 70.741 -2.431 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.718 -1.371 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.345 -2.442 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 78 71.579 -4.129 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 78 70.244 -3.779 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 78 69.891 -2.524 -1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 78 70.943 -2.151 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 78 72.529 -4.776 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 78 73.228 -3.149 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 78 73.806 -4.231 -1.910 1.00 0.00 H new ATOM 1189 N VAL A 79 72.725 0.092 1.264 1.00 0.00 N ATOM 1190 CA VAL A 79 73.391 0.735 2.432 1.00 0.00 C ATOM 1191 C VAL A 79 72.412 0.817 3.603 1.00 0.00 C ATOM 1192 O VAL A 79 72.780 0.663 4.750 1.00 0.00 O ATOM 1193 CB VAL A 79 73.774 2.136 1.956 1.00 0.00 C ATOM 1194 CG1 VAL A 79 74.485 2.882 3.086 1.00 0.00 C ATOM 1195 CG2 VAL A 79 74.709 2.027 0.750 1.00 0.00 C ATOM 0 H VAL A 79 72.834 0.582 0.376 1.00 0.00 H new ATOM 0 HA VAL A 79 74.261 0.175 2.774 1.00 0.00 H new ATOM 0 HB VAL A 79 72.874 2.681 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 79 74.758 3.881 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 79 73.819 2.960 3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 79 75.385 2.337 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 79 74.982 3.026 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 79 75.609 1.482 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 79 74.203 1.495 -0.056 1.00 0.00 H new ATOM 1205 N MET A 80 71.161 1.055 3.316 1.00 0.00 N ATOM 1206 CA MET A 80 70.148 1.144 4.406 1.00 0.00 C ATOM 1207 C MET A 80 69.882 -0.247 4.988 1.00 0.00 C ATOM 1208 O MET A 80 69.394 -0.389 6.091 1.00 0.00 O ATOM 1209 CB MET A 80 68.893 1.697 3.730 1.00 0.00 C ATOM 1210 CG MET A 80 68.764 3.188 4.039 1.00 0.00 C ATOM 1211 SD MET A 80 67.091 3.745 3.630 1.00 0.00 S ATOM 1212 CE MET A 80 67.475 4.449 2.008 1.00 0.00 C ATOM 0 H MET A 80 70.797 1.192 2.373 1.00 0.00 H new ATOM 0 HA MET A 80 70.476 1.775 5.232 1.00 0.00 H new ATOM 0 HB2 MET A 80 68.949 1.541 2.653 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.011 1.163 4.084 1.00 0.00 H new ATOM 0 HG2 MET A 80 68.973 3.371 5.093 1.00 0.00 H new ATOM 0 HG3 MET A 80 69.498 3.754 3.466 1.00 0.00 H new ATOM 0 HE1 MET A 80 66.604 4.982 1.627 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.312 5.141 2.101 1.00 0.00 H new ATOM 0 HE3 MET A 80 67.741 3.648 1.318 1.00 0.00 H new ATOM 1222 N MET A 81 70.204 -1.275 4.251 1.00 0.00 N ATOM 1223 CA MET A 81 69.975 -2.659 4.757 1.00 0.00 C ATOM 1224 C MET A 81 71.029 -3.014 5.808 1.00 0.00 C ATOM 1225 O MET A 81 70.711 -3.353 6.931 1.00 0.00 O ATOM 1226 CB MET A 81 70.121 -3.557 3.528 1.00 0.00 C ATOM 1227 CG MET A 81 68.787 -4.247 3.238 1.00 0.00 C ATOM 1228 SD MET A 81 67.672 -3.083 2.416 1.00 0.00 S ATOM 1229 CE MET A 81 66.141 -3.647 3.199 1.00 0.00 C ATOM 0 H MET A 81 70.616 -1.217 3.320 1.00 0.00 H new ATOM 0 HA MET A 81 69.000 -2.772 5.231 1.00 0.00 H new ATOM 0 HB2 MET A 81 70.431 -2.965 2.667 1.00 0.00 H new ATOM 0 HB3 MET A 81 70.898 -4.302 3.699 1.00 0.00 H new ATOM 0 HG2 MET A 81 68.947 -5.121 2.607 1.00 0.00 H new ATOM 0 HG3 MET A 81 68.340 -4.602 4.166 1.00 0.00 H new ATOM 0 HE1 MET A 81 65.460 -4.024 2.436 1.00 0.00 H new ATOM 0 HE2 MET A 81 66.367 -4.443 3.909 1.00 0.00 H new ATOM 0 HE3 MET A 81 65.673 -2.814 3.724 1.00 0.00 H new ATOM 1239 N VAL A 82 72.282 -2.937 5.453 1.00 0.00 N ATOM 1240 CA VAL A 82 73.357 -3.268 6.430 1.00 0.00 C ATOM 1241 C VAL A 82 73.387 -2.222 7.549 1.00 0.00 C ATOM 1242 O VAL A 82 74.073 -2.378 8.539 1.00 0.00 O ATOM 1243 CB VAL A 82 74.653 -3.226 5.621 1.00 0.00 C ATOM 1244 CG1 VAL A 82 74.553 -4.202 4.447 1.00 0.00 C ATOM 1245 CG2 VAL A 82 74.874 -1.809 5.087 1.00 0.00 C ATOM 0 H VAL A 82 72.608 -2.659 4.527 1.00 0.00 H new ATOM 0 HA VAL A 82 73.205 -4.238 6.903 1.00 0.00 H new ATOM 0 HB VAL A 82 75.490 -3.509 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 82 75.477 -4.172 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 82 74.394 -5.212 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 82 73.717 -3.918 3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.798 -1.778 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 82 74.037 -1.526 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 82 74.944 -1.112 5.922 1.00 0.00 H new ATOM 1255 N ARG A 83 72.647 -1.157 7.397 1.00 0.00 N ATOM 1256 CA ARG A 83 72.633 -0.102 8.449 1.00 0.00 C ATOM 1257 C ARG A 83 71.791 -0.558 9.644 1.00 0.00 C ATOM 1258 O ARG A 83 72.148 -0.342 10.786 1.00 0.00 O ATOM 1259 CB ARG A 83 71.997 1.116 7.779 1.00 0.00 C ATOM 1260 CG ARG A 83 72.230 2.357 8.644 1.00 0.00 C ATOM 1261 CD ARG A 83 73.649 2.880 8.414 1.00 0.00 C ATOM 1262 NE ARG A 83 74.181 3.162 9.776 1.00 0.00 N ATOM 1263 CZ ARG A 83 75.440 2.948 10.043 1.00 0.00 C ATOM 1264 NH1 ARG A 83 75.960 1.769 9.834 1.00 0.00 N ATOM 1265 NH2 ARG A 83 76.180 3.912 10.518 1.00 0.00 N ATOM 0 H ARG A 83 72.052 -0.973 6.590 1.00 0.00 H new ATOM 0 HA ARG A 83 73.631 0.116 8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 83 72.427 1.265 6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 83 70.928 0.951 7.641 1.00 0.00 H new ATOM 0 HG2 ARG A 83 71.502 3.129 8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 83 72.087 2.112 9.696 1.00 0.00 H new ATOM 0 HD2 ARG A 83 74.262 2.143 7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 83 73.643 3.780 7.798 1.00 0.00 H new ATOM 0 HE ARG A 83 73.561 3.523 10.501 1.00 0.00 H new ATOM 0 HH11 ARG A 83 75.382 1.015 9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 83 76.944 1.601 10.043 1.00 0.00 H new ATOM 0 HH21 ARG A 83 75.774 4.834 10.681 1.00 0.00 H new ATOM 0 HH22 ARG A 83 77.164 3.744 10.727 1.00 0.00 H new ATOM 1279 N CYS A 84 70.676 -1.187 9.392 1.00 0.00 N ATOM 1280 CA CYS A 84 69.815 -1.656 10.515 1.00 0.00 C ATOM 1281 C CYS A 84 70.104 -3.130 10.824 1.00 0.00 C ATOM 1282 O CYS A 84 71.037 -3.448 11.535 1.00 0.00 O ATOM 1283 CB CYS A 84 68.380 -1.474 10.016 1.00 0.00 C ATOM 1284 SG CYS A 84 67.920 0.273 10.123 1.00 0.00 S ATOM 0 H CYS A 84 70.324 -1.396 8.458 1.00 0.00 H new ATOM 0 HA CYS A 84 69.995 -1.102 11.436 1.00 0.00 H new ATOM 0 HB2 CYS A 84 68.295 -1.821 8.986 1.00 0.00 H new ATOM 0 HB3 CYS A 84 67.697 -2.078 10.613 1.00 0.00 H new ATOM 0 HG CYS A 84 66.702 0.428 9.697 1.00 0.00 H new ATOM 1290 N MET A 85 69.317 -4.032 10.298 1.00 0.00 N ATOM 1291 CA MET A 85 69.554 -5.481 10.565 1.00 0.00 C ATOM 1292 C MET A 85 69.919 -5.697 12.036 1.00 0.00 C ATOM 1293 O MET A 85 70.942 -6.270 12.354 1.00 0.00 O ATOM 1294 CB MET A 85 70.725 -5.866 9.659 1.00 0.00 C ATOM 1295 CG MET A 85 70.239 -5.971 8.213 1.00 0.00 C ATOM 1296 SD MET A 85 71.656 -6.243 7.120 1.00 0.00 S ATOM 1297 CE MET A 85 70.745 -7.008 5.756 1.00 0.00 C ATOM 0 H MET A 85 68.520 -3.827 9.695 1.00 0.00 H new ATOM 0 HA MET A 85 68.669 -6.086 10.366 1.00 0.00 H new ATOM 0 HB2 MET A 85 71.517 -5.121 9.734 1.00 0.00 H new ATOM 0 HB3 MET A 85 71.150 -6.817 9.981 1.00 0.00 H new ATOM 0 HG2 MET A 85 69.528 -6.791 8.116 1.00 0.00 H new ATOM 0 HG3 MET A 85 69.715 -5.059 7.927 1.00 0.00 H new ATOM 0 HE1 MET A 85 71.437 -7.263 4.954 1.00 0.00 H new ATOM 0 HE2 MET A 85 70.251 -7.913 6.110 1.00 0.00 H new ATOM 0 HE3 MET A 85 69.997 -6.310 5.381 1.00 0.00 H new