USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 585 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 42 SER OG : rot -160:sc= -0.0161 USER MOD Set 1.2: A 84 MET CE :methyl -103:sc= -2.12! (180deg=-2.28!) USER MOD Single : A 11 SER OG : rot 26:sc= 0.103 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00668 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 23 MET CE :methyl -157:sc= -0.109 (180deg=-0.793) USER MOD Single : A 25 LYS NZ :NH3+ -165:sc= 1.29 (180deg=0.636) USER MOD Single : A 26 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.536 F(o=-1.3,f=-0.54) USER MOD Single : A 38 MET CE :methyl -169:sc= -1.43 (180deg=-1.72) USER MOD Single : A 40 ASN : amide:sc= -1.66! C(o=-1.7!,f=-3.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.221 USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= -0.0408 (180deg=-0.298) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2! C(o=-2!,f=-3.7!) USER MOD Single : A 66 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.22) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.2 F(o=-1.2,f=-0.2) USER MOD Single : A 74 MET CE :methyl 161:sc= -0.11 (180deg=-0.598) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 83 THR OG1 : rot 50:sc= -2.1! USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 8.241 -10.859 -5.723 1.00 0.00 N ATOM 56 CA SER A 11 8.778 -9.612 -5.218 1.00 0.00 C ATOM 57 C SER A 11 7.684 -8.837 -4.497 1.00 0.00 C ATOM 58 O SER A 11 7.955 -7.959 -3.691 1.00 0.00 O ATOM 59 CB SER A 11 9.353 -8.791 -6.368 1.00 0.00 C ATOM 60 OG SER A 11 10.353 -9.528 -7.059 1.00 0.00 O ATOM 0 HA SER A 11 9.580 -9.822 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.556 -8.514 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.778 -7.864 -5.983 1.00 0.00 H new ATOM 0 HG SER A 11 10.187 -10.488 -6.950 1.00 0.00 H new ATOM 66 N GLU A 12 6.448 -9.199 -4.799 1.00 0.00 N ATOM 67 CA GLU A 12 5.271 -8.614 -4.192 1.00 0.00 C ATOM 68 C GLU A 12 5.260 -8.839 -2.675 1.00 0.00 C ATOM 69 O GLU A 12 4.863 -7.967 -1.914 1.00 0.00 O ATOM 70 CB GLU A 12 4.028 -9.241 -4.828 1.00 0.00 C ATOM 71 CG GLU A 12 2.710 -8.746 -4.273 1.00 0.00 C ATOM 72 CD GLU A 12 1.529 -9.416 -4.935 1.00 0.00 C ATOM 73 OE1 GLU A 12 1.131 -8.976 -6.031 1.00 0.00 O ATOM 74 OE2 GLU A 12 1.006 -10.407 -4.376 1.00 0.00 O ATOM 0 H GLU A 12 6.234 -9.922 -5.486 1.00 0.00 H new ATOM 0 HA GLU A 12 5.278 -7.538 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.050 -9.048 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.077 -10.322 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.677 -8.931 -3.199 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.640 -7.667 -4.413 1.00 0.00 H new ATOM 81 N THR A 13 5.725 -10.004 -2.245 1.00 0.00 N ATOM 82 CA THR A 13 5.717 -10.344 -0.832 1.00 0.00 C ATOM 83 C THR A 13 7.040 -9.965 -0.164 1.00 0.00 C ATOM 84 O THR A 13 7.128 -9.867 1.057 1.00 0.00 O ATOM 85 CB THR A 13 5.467 -11.858 -0.634 1.00 0.00 C ATOM 86 OG1 THR A 13 6.494 -12.608 -1.296 1.00 0.00 O ATOM 87 CG2 THR A 13 4.115 -12.267 -1.202 1.00 0.00 C ATOM 0 H THR A 13 6.111 -10.726 -2.853 1.00 0.00 H new ATOM 0 HA THR A 13 4.910 -9.778 -0.368 1.00 0.00 H new ATOM 0 HB THR A 13 5.478 -12.066 0.436 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.334 -13.566 -1.167 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.965 -13.336 -1.050 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.325 -11.713 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.086 -12.045 -2.269 1.00 0.00 H new ATOM 95 N TYR A 14 8.056 -9.744 -0.975 1.00 0.00 N ATOM 96 CA TYR A 14 9.388 -9.450 -0.482 1.00 0.00 C ATOM 97 C TYR A 14 9.656 -7.937 -0.448 1.00 0.00 C ATOM 98 O TYR A 14 10.620 -7.479 0.175 1.00 0.00 O ATOM 99 CB TYR A 14 10.413 -10.161 -1.382 1.00 0.00 C ATOM 100 CG TYR A 14 11.857 -9.933 -1.003 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.492 -10.756 -0.090 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.583 -8.896 -1.568 1.00 0.00 C ATOM 103 CE1 TYR A 14 13.810 -10.549 0.253 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.895 -8.679 -1.234 1.00 0.00 C ATOM 105 CZ TYR A 14 14.510 -9.508 -0.322 1.00 0.00 C ATOM 106 OH TYR A 14 15.829 -9.299 0.017 1.00 0.00 O ATOM 0 H TYR A 14 7.982 -9.763 -1.992 1.00 0.00 H new ATOM 0 HA TYR A 14 9.476 -9.812 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.212 -11.232 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.265 -9.829 -2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.947 -11.572 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.105 -8.246 -2.286 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.293 -11.198 0.968 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.443 -7.864 -1.683 1.00 0.00 H new ATOM 0 HH TYR A 14 16.175 -8.527 -0.477 1.00 0.00 H new ATOM 116 N ILE A 15 8.787 -7.168 -1.068 1.00 0.00 N ATOM 117 CA ILE A 15 9.004 -5.746 -1.187 1.00 0.00 C ATOM 118 C ILE A 15 8.684 -5.030 0.114 1.00 0.00 C ATOM 119 O ILE A 15 7.726 -5.372 0.825 1.00 0.00 O ATOM 120 CB ILE A 15 8.179 -5.120 -2.340 1.00 0.00 C ATOM 121 CG1 ILE A 15 8.545 -3.638 -2.497 1.00 0.00 C ATOM 122 CG2 ILE A 15 6.682 -5.297 -2.103 1.00 0.00 C ATOM 123 CD1 ILE A 15 7.644 -2.874 -3.432 1.00 0.00 C ATOM 0 H ILE A 15 7.925 -7.505 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 15 10.061 -5.616 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 15 8.424 -5.639 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.518 -3.163 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.571 -3.565 -2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.128 -4.848 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.446 -6.360 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.401 -4.810 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.972 -1.836 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.688 -3.320 -4.425 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.619 -2.912 -3.062 1.00 0.00 H new ATOM 135 N THR A 16 9.477 -4.040 0.415 1.00 0.00 N ATOM 136 CA THR A 16 9.299 -3.284 1.611 1.00 0.00 C ATOM 137 C THR A 16 8.362 -2.102 1.343 1.00 0.00 C ATOM 138 O THR A 16 8.224 -1.663 0.206 1.00 0.00 O ATOM 139 CB THR A 16 10.650 -2.792 2.140 1.00 0.00 C ATOM 140 OG1 THR A 16 11.710 -3.618 1.603 1.00 0.00 O ATOM 141 CG2 THR A 16 10.671 -2.892 3.644 1.00 0.00 C ATOM 0 H THR A 16 10.261 -3.739 -0.164 1.00 0.00 H new ATOM 0 HA THR A 16 8.850 -3.924 2.371 1.00 0.00 H new ATOM 0 HB THR A 16 10.796 -1.756 1.836 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.574 -3.302 1.940 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.633 -2.542 4.019 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.873 -2.277 4.061 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.522 -3.930 3.942 1.00 0.00 H new ATOM 149 N CYS A 17 7.724 -1.596 2.381 1.00 0.00 N ATOM 150 CA CYS A 17 6.756 -0.515 2.234 1.00 0.00 C ATOM 151 C CYS A 17 7.412 0.785 1.764 1.00 0.00 C ATOM 152 O CYS A 17 7.066 1.300 0.711 1.00 0.00 O ATOM 153 CB CYS A 17 6.012 -0.309 3.534 1.00 0.00 C ATOM 154 SG CYS A 17 4.888 1.099 3.551 1.00 0.00 S ATOM 0 H CYS A 17 7.856 -1.915 3.341 1.00 0.00 H new ATOM 0 HA CYS A 17 6.045 -0.805 1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.443 -1.212 3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.739 -0.184 4.336 1.00 0.00 H new ATOM 159 N ALA A 18 8.364 1.309 2.543 1.00 0.00 N ATOM 160 CA ALA A 18 9.090 2.523 2.150 1.00 0.00 C ATOM 161 C ALA A 18 9.779 2.323 0.797 1.00 0.00 C ATOM 162 O ALA A 18 9.948 3.262 0.020 1.00 0.00 O ATOM 163 CB ALA A 18 10.110 2.896 3.216 1.00 0.00 C ATOM 0 H ALA A 18 8.648 0.917 3.441 1.00 0.00 H new ATOM 0 HA ALA A 18 8.374 3.339 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.641 3.798 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.599 3.078 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.822 2.080 3.340 1.00 0.00 H new ATOM 169 N GLU A 19 10.156 1.080 0.530 1.00 0.00 N ATOM 170 CA GLU A 19 10.797 0.685 -0.719 1.00 0.00 C ATOM 171 C GLU A 19 9.886 0.948 -1.936 1.00 0.00 C ATOM 172 O GLU A 19 10.358 1.025 -3.072 1.00 0.00 O ATOM 173 CB GLU A 19 11.187 -0.789 -0.621 1.00 0.00 C ATOM 174 CG GLU A 19 11.924 -1.355 -1.814 1.00 0.00 C ATOM 175 CD GLU A 19 12.470 -2.730 -1.517 1.00 0.00 C ATOM 176 OE1 GLU A 19 11.672 -3.630 -1.169 1.00 0.00 O ATOM 177 OE2 GLU A 19 13.703 -2.918 -1.599 1.00 0.00 O ATOM 0 H GLU A 19 10.024 0.307 1.182 1.00 0.00 H new ATOM 0 HA GLU A 19 11.691 1.289 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.809 -0.923 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.282 -1.375 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.251 -1.405 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.741 -0.688 -2.090 1.00 0.00 H new ATOM 184 N ALA A 20 8.582 1.090 -1.693 1.00 0.00 N ATOM 185 CA ALA A 20 7.636 1.391 -2.757 1.00 0.00 C ATOM 186 C ALA A 20 7.957 2.752 -3.374 1.00 0.00 C ATOM 187 O ALA A 20 7.671 3.003 -4.548 1.00 0.00 O ATOM 188 CB ALA A 20 6.213 1.371 -2.222 1.00 0.00 C ATOM 0 H ALA A 20 8.162 1.001 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 20 7.722 0.628 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.517 1.598 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.990 0.384 -1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.110 2.117 -1.434 1.00 0.00 H new ATOM 194 N ASN A 21 8.586 3.615 -2.575 1.00 0.00 N ATOM 195 CA ASN A 21 8.979 4.944 -3.028 1.00 0.00 C ATOM 196 C ASN A 21 10.124 4.818 -4.018 1.00 0.00 C ATOM 197 O ASN A 21 10.220 5.574 -4.984 1.00 0.00 O ATOM 198 CB ASN A 21 9.415 5.806 -1.842 1.00 0.00 C ATOM 199 CG ASN A 21 9.679 7.249 -2.235 1.00 0.00 C ATOM 200 OD1 ASN A 21 9.026 7.790 -3.120 1.00 0.00 O ATOM 201 ND2 ASN A 21 10.645 7.874 -1.589 1.00 0.00 N ATOM 0 H ASN A 21 8.834 3.413 -1.606 1.00 0.00 H new ATOM 0 HA ASN A 21 8.126 5.422 -3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.642 5.778 -1.074 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.318 5.382 -1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.870 8.841 -1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.166 7.390 -0.858 1.00 0.00 H new ATOM 208 N GLU A 22 10.989 3.844 -3.763 1.00 0.00 N ATOM 209 CA GLU A 22 12.109 3.559 -4.635 1.00 0.00 C ATOM 210 C GLU A 22 11.622 3.251 -6.041 1.00 0.00 C ATOM 211 O GLU A 22 12.117 3.814 -7.018 1.00 0.00 O ATOM 212 CB GLU A 22 12.931 2.396 -4.088 1.00 0.00 C ATOM 213 CG GLU A 22 13.691 2.730 -2.818 1.00 0.00 C ATOM 214 CD GLU A 22 14.620 3.909 -3.001 1.00 0.00 C ATOM 215 OE1 GLU A 22 15.490 3.855 -3.898 1.00 0.00 O ATOM 216 OE2 GLU A 22 14.496 4.894 -2.251 1.00 0.00 O ATOM 0 H GLU A 22 10.930 3.234 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 22 12.747 4.442 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.267 1.554 -3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.640 2.073 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.982 2.949 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.268 1.861 -2.503 1.00 0.00 H new ATOM 223 N MET A 23 10.659 2.348 -6.148 1.00 0.00 N ATOM 224 CA MET A 23 10.073 2.032 -7.442 1.00 0.00 C ATOM 225 C MET A 23 9.345 3.241 -8.006 1.00 0.00 C ATOM 226 O MET A 23 9.415 3.507 -9.189 1.00 0.00 O ATOM 227 CB MET A 23 9.108 0.848 -7.353 1.00 0.00 C ATOM 228 CG MET A 23 9.724 -0.429 -6.807 1.00 0.00 C ATOM 229 SD MET A 23 8.696 -1.882 -7.123 1.00 0.00 S ATOM 230 CE MET A 23 7.088 -1.298 -6.584 1.00 0.00 C ATOM 0 H MET A 23 10.270 1.826 -5.363 1.00 0.00 H new ATOM 0 HA MET A 23 10.890 1.756 -8.108 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.266 1.129 -6.721 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.707 0.647 -8.347 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.705 -0.577 -7.258 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.879 -0.324 -5.733 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.458 -2.150 -6.329 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.207 -0.660 -5.708 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.620 -0.728 -7.387 1.00 0.00 H new ATOM 240 N ALA A 24 8.661 3.979 -7.133 1.00 0.00 N ATOM 241 CA ALA A 24 7.899 5.170 -7.537 1.00 0.00 C ATOM 242 C ALA A 24 8.760 6.162 -8.325 1.00 0.00 C ATOM 243 O ALA A 24 8.264 6.842 -9.225 1.00 0.00 O ATOM 244 CB ALA A 24 7.282 5.851 -6.323 1.00 0.00 C ATOM 0 H ALA A 24 8.616 3.775 -6.135 1.00 0.00 H new ATOM 0 HA ALA A 24 7.100 4.833 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.723 6.730 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.609 5.157 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.072 6.155 -5.636 1.00 0.00 H new ATOM 250 N LYS A 25 10.047 6.231 -7.987 1.00 0.00 N ATOM 251 CA LYS A 25 10.997 7.124 -8.676 1.00 0.00 C ATOM 252 C LYS A 25 10.997 6.891 -10.191 1.00 0.00 C ATOM 253 O LYS A 25 11.305 7.799 -10.964 1.00 0.00 O ATOM 254 CB LYS A 25 12.420 6.926 -8.138 1.00 0.00 C ATOM 255 CG LYS A 25 12.548 7.077 -6.631 1.00 0.00 C ATOM 256 CD LYS A 25 13.997 6.934 -6.165 1.00 0.00 C ATOM 257 CE LYS A 25 14.627 5.638 -6.663 1.00 0.00 C ATOM 258 NZ LYS A 25 15.966 5.394 -6.066 1.00 0.00 N ATOM 0 H LYS A 25 10.464 5.679 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 25 10.671 8.145 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.768 5.933 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.081 7.646 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.164 8.052 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.932 6.326 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.580 7.783 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.033 6.960 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.969 4.802 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.717 5.675 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.459 4.657 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.522 6.272 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.855 5.082 -5.080 1.00 0.00 H new ATOM 272 N THR A 26 10.653 5.681 -10.601 1.00 0.00 N ATOM 273 CA THR A 26 10.651 5.323 -12.006 1.00 0.00 C ATOM 274 C THR A 26 9.284 4.800 -12.457 1.00 0.00 C ATOM 275 O THR A 26 8.904 4.944 -13.617 1.00 0.00 O ATOM 276 CB THR A 26 11.712 4.242 -12.281 1.00 0.00 C ATOM 277 OG1 THR A 26 11.586 3.187 -11.309 1.00 0.00 O ATOM 278 CG2 THR A 26 13.113 4.825 -12.215 1.00 0.00 C ATOM 0 H THR A 26 10.370 4.927 -9.975 1.00 0.00 H new ATOM 0 HA THR A 26 10.880 6.228 -12.569 1.00 0.00 H new ATOM 0 HB THR A 26 11.549 3.847 -13.284 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.779 2.664 -11.497 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.843 4.040 -12.413 1.00 0.00 H new ATOM 0 HG22 THR A 26 13.215 5.612 -12.962 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.288 5.241 -11.223 1.00 0.00 H new ATOM 286 N ASP A 27 8.549 4.215 -11.532 1.00 0.00 N ATOM 287 CA ASP A 27 7.278 3.575 -11.837 1.00 0.00 C ATOM 288 C ASP A 27 6.229 3.984 -10.806 1.00 0.00 C ATOM 289 O ASP A 27 5.652 3.133 -10.116 1.00 0.00 O ATOM 290 CB ASP A 27 7.447 2.047 -11.814 1.00 0.00 C ATOM 291 CG ASP A 27 8.652 1.564 -12.603 1.00 0.00 C ATOM 292 OD1 ASP A 27 8.536 1.363 -13.822 1.00 0.00 O ATOM 293 OD2 ASP A 27 9.735 1.377 -11.991 1.00 0.00 O ATOM 0 H ASP A 27 8.813 4.168 -10.548 1.00 0.00 H new ATOM 0 HA ASP A 27 6.952 3.890 -12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.541 1.714 -10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.547 1.583 -12.218 1.00 0.00 H new ATOM 298 N SER A 28 5.979 5.280 -10.710 1.00 0.00 N ATOM 299 CA SER A 28 5.042 5.819 -9.730 1.00 0.00 C ATOM 300 C SER A 28 3.615 5.346 -9.975 1.00 0.00 C ATOM 301 O SER A 28 2.936 4.918 -9.048 1.00 0.00 O ATOM 302 CB SER A 28 5.111 7.349 -9.710 1.00 0.00 C ATOM 303 OG SER A 28 5.124 7.878 -11.031 1.00 0.00 O ATOM 0 H SER A 28 6.415 5.986 -11.303 1.00 0.00 H new ATOM 0 HA SER A 28 5.340 5.439 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.256 7.748 -9.164 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.007 7.669 -9.178 1.00 0.00 H new ATOM 0 HG SER A 28 5.167 8.856 -10.991 1.00 0.00 H new ATOM 309 N ALA A 29 3.172 5.384 -11.225 1.00 0.00 N ATOM 310 CA ALA A 29 1.809 4.994 -11.554 1.00 0.00 C ATOM 311 C ALA A 29 1.612 3.499 -11.363 1.00 0.00 C ATOM 312 O ALA A 29 0.507 3.035 -11.079 1.00 0.00 O ATOM 313 CB ALA A 29 1.467 5.399 -12.977 1.00 0.00 C ATOM 0 H ALA A 29 3.734 5.679 -12.023 1.00 0.00 H new ATOM 0 HA ALA A 29 1.134 5.515 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.444 5.099 -13.205 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.560 6.480 -13.080 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.151 4.909 -13.669 1.00 0.00 H new ATOM 319 N GLN A 30 2.699 2.750 -11.492 1.00 0.00 N ATOM 320 CA GLN A 30 2.647 1.314 -11.352 1.00 0.00 C ATOM 321 C GLN A 30 2.481 0.920 -9.898 1.00 0.00 C ATOM 322 O GLN A 30 1.536 0.233 -9.550 1.00 0.00 O ATOM 323 CB GLN A 30 3.886 0.667 -11.963 1.00 0.00 C ATOM 324 CG GLN A 30 3.957 0.832 -13.473 1.00 0.00 C ATOM 325 CD GLN A 30 5.225 0.270 -14.085 1.00 0.00 C ATOM 326 OE1 GLN A 30 5.796 -0.740 -13.458 1.00 0.00 O flip ATOM 327 NE2 GLN A 30 5.685 0.748 -15.122 1.00 0.00 N flip ATOM 0 H GLN A 30 3.627 3.121 -11.694 1.00 0.00 H new ATOM 0 HA GLN A 30 1.776 0.948 -11.896 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.777 1.104 -11.513 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.893 -0.395 -11.718 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.096 0.340 -13.925 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.883 1.891 -13.718 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.213 1.530 -15.577 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.538 0.362 -15.527 1.00 0.00 H new ATOM 336 N VAL A 31 3.398 1.366 -9.040 1.00 0.00 N ATOM 337 CA VAL A 31 3.309 1.076 -7.613 1.00 0.00 C ATOM 338 C VAL A 31 2.022 1.657 -7.004 1.00 0.00 C ATOM 339 O VAL A 31 1.508 1.148 -6.004 1.00 0.00 O ATOM 340 CB VAL A 31 4.556 1.592 -6.840 1.00 0.00 C ATOM 341 CG1 VAL A 31 4.624 3.109 -6.836 1.00 0.00 C ATOM 342 CG2 VAL A 31 4.581 1.044 -5.425 1.00 0.00 C ATOM 0 H VAL A 31 4.207 1.927 -9.308 1.00 0.00 H new ATOM 0 HA VAL A 31 3.278 -0.009 -7.511 1.00 0.00 H new ATOM 0 HB VAL A 31 5.440 1.227 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.508 3.432 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.681 3.473 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.732 3.512 -6.357 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.462 1.419 -4.905 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.684 1.364 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.615 -0.045 -5.457 1.00 0.00 H new ATOM 352 N ALA A 32 1.478 2.686 -7.649 1.00 0.00 N ATOM 353 CA ALA A 32 0.246 3.306 -7.189 1.00 0.00 C ATOM 354 C ALA A 32 -0.928 2.415 -7.550 1.00 0.00 C ATOM 355 O ALA A 32 -1.946 2.389 -6.864 1.00 0.00 O ATOM 356 CB ALA A 32 0.073 4.685 -7.805 1.00 0.00 C ATOM 0 H ALA A 32 1.873 3.105 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 32 0.291 3.426 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.855 5.130 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.913 5.319 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.037 4.597 -8.891 1.00 0.00 H new ATOM 362 N GLU A 33 -0.765 1.675 -8.632 1.00 0.00 N ATOM 363 CA GLU A 33 -1.768 0.739 -9.077 1.00 0.00 C ATOM 364 C GLU A 33 -1.623 -0.574 -8.313 1.00 0.00 C ATOM 365 O GLU A 33 -2.597 -1.283 -8.088 1.00 0.00 O ATOM 366 CB GLU A 33 -1.639 0.510 -10.585 1.00 0.00 C ATOM 367 CG GLU A 33 -2.720 -0.372 -11.176 1.00 0.00 C ATOM 368 CD GLU A 33 -2.698 -0.365 -12.684 1.00 0.00 C ATOM 369 OE1 GLU A 33 -1.987 -1.198 -13.281 1.00 0.00 O ATOM 370 OE2 GLU A 33 -3.391 0.486 -13.285 1.00 0.00 O ATOM 0 H GLU A 33 0.066 1.710 -9.222 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.759 1.148 -8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.658 1.476 -11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.667 0.061 -10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.590 -1.393 -10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.695 -0.033 -10.827 1.00 0.00 H new ATOM 377 N ILE A 34 -0.399 -0.866 -7.879 1.00 0.00 N ATOM 378 CA ILE A 34 -0.124 -2.080 -7.129 1.00 0.00 C ATOM 379 C ILE A 34 -0.835 -2.016 -5.798 1.00 0.00 C ATOM 380 O ILE A 34 -1.564 -2.941 -5.422 1.00 0.00 O ATOM 381 CB ILE A 34 1.401 -2.295 -6.898 1.00 0.00 C ATOM 382 CG1 ILE A 34 2.135 -2.491 -8.236 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.652 -3.485 -5.973 1.00 0.00 C ATOM 384 CD1 ILE A 34 1.642 -3.674 -9.051 1.00 0.00 C ATOM 0 H ILE A 34 0.417 -0.274 -8.036 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.488 -2.924 -7.715 1.00 0.00 H new ATOM 0 HB ILE A 34 1.795 -1.400 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.028 -1.584 -8.832 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.199 -2.619 -8.038 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.725 -3.613 -5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.175 -3.304 -5.010 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.236 -4.388 -6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.212 -3.740 -9.978 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.774 -4.591 -8.477 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.585 -3.541 -9.284 1.00 0.00 H new ATOM 396 N VAL A 35 -0.638 -0.908 -5.084 1.00 0.00 N ATOM 397 CA VAL A 35 -1.308 -0.697 -3.813 1.00 0.00 C ATOM 398 C VAL A 35 -2.822 -0.577 -3.999 1.00 0.00 C ATOM 399 O VAL A 35 -3.585 -0.838 -3.086 1.00 0.00 O ATOM 400 CB VAL A 35 -0.779 0.561 -3.078 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.682 0.396 -2.696 1.00 0.00 C ATOM 402 CG2 VAL A 35 -0.972 1.813 -3.919 1.00 0.00 C ATOM 0 H VAL A 35 -0.020 -0.148 -5.368 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.089 -1.571 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.361 0.675 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.027 1.293 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.791 -0.465 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.278 0.241 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.591 2.678 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.430 1.707 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.033 1.953 -4.126 1.00 0.00 H new ATOM 412 N ALA A 36 -3.241 -0.182 -5.191 1.00 0.00 N ATOM 413 CA ALA A 36 -4.656 -0.040 -5.495 1.00 0.00 C ATOM 414 C ALA A 36 -5.321 -1.403 -5.628 1.00 0.00 C ATOM 415 O ALA A 36 -6.314 -1.686 -4.949 1.00 0.00 O ATOM 416 CB ALA A 36 -4.844 0.758 -6.775 1.00 0.00 C ATOM 0 H ALA A 36 -2.619 0.047 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.128 0.495 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.908 0.856 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.406 1.749 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.353 0.242 -7.601 1.00 0.00 H new ATOM 422 N VAL A 37 -4.770 -2.235 -6.513 1.00 0.00 N ATOM 423 CA VAL A 37 -5.289 -3.579 -6.779 1.00 0.00 C ATOM 424 C VAL A 37 -5.578 -4.364 -5.496 1.00 0.00 C ATOM 425 O VAL A 37 -6.720 -4.734 -5.238 1.00 0.00 O ATOM 426 CB VAL A 37 -4.321 -4.394 -7.681 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.807 -5.824 -7.848 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.176 -3.729 -9.040 1.00 0.00 C ATOM 0 H VAL A 37 -3.948 -1.996 -7.068 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.233 -3.436 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.346 -4.418 -7.194 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.112 -6.373 -8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.864 -6.305 -6.872 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.795 -5.821 -8.309 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.495 -4.312 -9.660 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.151 -3.675 -9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.778 -2.722 -8.912 1.00 0.00 H new ATOM 438 N MET A 38 -4.558 -4.624 -4.701 1.00 0.00 N ATOM 439 CA MET A 38 -4.743 -5.397 -3.481 1.00 0.00 C ATOM 440 C MET A 38 -5.269 -4.527 -2.342 1.00 0.00 C ATOM 441 O MET A 38 -6.002 -5.001 -1.483 1.00 0.00 O ATOM 442 CB MET A 38 -3.428 -6.094 -3.085 1.00 0.00 C ATOM 443 CG MET A 38 -3.567 -7.108 -1.947 1.00 0.00 C ATOM 444 SD MET A 38 -3.356 -6.382 -0.307 1.00 0.00 S ATOM 445 CE MET A 38 -1.607 -6.023 -0.328 1.00 0.00 C ATOM 0 H MET A 38 -3.601 -4.316 -4.872 1.00 0.00 H new ATOM 0 HA MET A 38 -5.494 -6.162 -3.676 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.022 -6.602 -3.960 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.703 -5.335 -2.792 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.550 -7.575 -2.005 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.829 -7.899 -2.083 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.279 -5.753 0.676 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.059 -6.903 -0.665 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.414 -5.193 -1.008 1.00 0.00 H new ATOM 455 N GLY A 39 -4.918 -3.251 -2.363 1.00 0.00 N ATOM 456 CA GLY A 39 -5.335 -2.342 -1.307 1.00 0.00 C ATOM 457 C GLY A 39 -6.833 -2.195 -1.208 1.00 0.00 C ATOM 458 O GLY A 39 -7.407 -2.395 -0.137 1.00 0.00 O ATOM 0 H GLY A 39 -4.349 -2.823 -3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.948 -2.701 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.891 -1.362 -1.483 1.00 0.00 H new ATOM 462 N ASN A 40 -7.466 -1.831 -2.321 1.00 0.00 N ATOM 463 CA ASN A 40 -8.922 -1.668 -2.360 1.00 0.00 C ATOM 464 C ASN A 40 -9.622 -2.946 -1.901 1.00 0.00 C ATOM 465 O ASN A 40 -10.648 -2.892 -1.232 1.00 0.00 O ATOM 466 CB ASN A 40 -9.399 -1.257 -3.768 1.00 0.00 C ATOM 467 CG ASN A 40 -9.814 -2.434 -4.643 1.00 0.00 C ATOM 468 OD1 ASN A 40 -10.968 -2.852 -4.639 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.880 -2.966 -5.388 1.00 0.00 N ATOM 0 H ASN A 40 -6.997 -1.643 -3.207 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.188 -0.866 -1.671 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.242 -0.573 -3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.600 -0.709 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.099 -3.757 -5.994 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.932 -2.590 -5.363 1.00 0.00 H new ATOM 476 N ALA A 41 -9.038 -4.090 -2.240 1.00 0.00 N ATOM 477 CA ALA A 41 -9.589 -5.369 -1.844 1.00 0.00 C ATOM 478 C ALA A 41 -9.398 -5.577 -0.351 1.00 0.00 C ATOM 479 O ALA A 41 -10.321 -5.963 0.348 1.00 0.00 O ATOM 480 CB ALA A 41 -8.932 -6.495 -2.629 1.00 0.00 C ATOM 0 H ALA A 41 -8.181 -4.152 -2.790 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.657 -5.376 -2.064 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.357 -7.450 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.109 -6.347 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.859 -6.496 -2.436 1.00 0.00 H new ATOM 486 N SER A 42 -8.189 -5.307 0.118 1.00 0.00 N ATOM 487 CA SER A 42 -7.846 -5.433 1.528 1.00 0.00 C ATOM 488 C SER A 42 -8.793 -4.606 2.407 1.00 0.00 C ATOM 489 O SER A 42 -9.447 -5.141 3.305 1.00 0.00 O ATOM 490 CB SER A 42 -6.389 -5.004 1.763 1.00 0.00 C ATOM 491 OG SER A 42 -6.018 -5.152 3.124 1.00 0.00 O ATOM 0 H SER A 42 -7.416 -4.994 -0.469 1.00 0.00 H new ATOM 0 HA SER A 42 -7.956 -6.481 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.727 -5.602 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.261 -3.965 1.461 1.00 0.00 H new ATOM 0 HG SER A 42 -5.233 -4.596 3.311 1.00 0.00 H new ATOM 497 N VAL A 43 -8.894 -3.315 2.124 1.00 0.00 N ATOM 498 CA VAL A 43 -9.732 -2.436 2.924 1.00 0.00 C ATOM 499 C VAL A 43 -11.208 -2.842 2.847 1.00 0.00 C ATOM 500 O VAL A 43 -11.910 -2.843 3.857 1.00 0.00 O ATOM 501 CB VAL A 43 -9.551 -0.942 2.541 1.00 0.00 C ATOM 502 CG1 VAL A 43 -8.116 -0.504 2.788 1.00 0.00 C ATOM 503 CG2 VAL A 43 -9.942 -0.686 1.093 1.00 0.00 C ATOM 0 H VAL A 43 -8.410 -2.856 1.352 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.403 -2.549 3.957 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.215 -0.353 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.004 0.545 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.873 -0.633 3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.441 -1.110 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.803 0.370 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.316 -1.289 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.988 -0.955 0.945 1.00 0.00 H new ATOM 513 N ALA A 44 -11.662 -3.226 1.659 1.00 0.00 N ATOM 514 CA ALA A 44 -13.041 -3.650 1.471 1.00 0.00 C ATOM 515 C ALA A 44 -13.298 -4.977 2.181 1.00 0.00 C ATOM 516 O ALA A 44 -14.361 -5.195 2.740 1.00 0.00 O ATOM 517 CB ALA A 44 -13.362 -3.767 -0.015 1.00 0.00 C ATOM 0 H ALA A 44 -11.093 -3.252 0.813 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.696 -2.897 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.397 -4.085 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.219 -2.799 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.699 -4.501 -0.474 1.00 0.00 H new ATOM 523 N SER A 45 -12.302 -5.846 2.151 1.00 0.00 N ATOM 524 CA SER A 45 -12.361 -7.168 2.770 1.00 0.00 C ATOM 525 C SER A 45 -12.757 -7.103 4.256 1.00 0.00 C ATOM 526 O SER A 45 -13.359 -8.044 4.781 1.00 0.00 O ATOM 527 CB SER A 45 -11.004 -7.876 2.605 1.00 0.00 C ATOM 528 OG SER A 45 -11.073 -9.248 2.958 1.00 0.00 O ATOM 0 H SER A 45 -11.413 -5.654 1.689 1.00 0.00 H new ATOM 0 HA SER A 45 -13.139 -7.738 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.671 -7.784 1.571 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.258 -7.379 3.226 1.00 0.00 H new ATOM 0 HG SER A 45 -10.193 -9.661 2.838 1.00 0.00 H new ATOM 534 N ARG A 46 -12.438 -6.002 4.935 1.00 0.00 N ATOM 535 CA ARG A 46 -12.769 -5.905 6.353 1.00 0.00 C ATOM 536 C ARG A 46 -13.842 -4.857 6.613 1.00 0.00 C ATOM 537 O ARG A 46 -14.559 -4.920 7.615 1.00 0.00 O ATOM 538 CB ARG A 46 -11.516 -5.574 7.173 1.00 0.00 C ATOM 539 CG ARG A 46 -11.655 -5.860 8.668 1.00 0.00 C ATOM 540 CD ARG A 46 -11.498 -7.350 8.976 1.00 0.00 C ATOM 541 NE ARG A 46 -12.256 -8.185 8.046 1.00 0.00 N ATOM 542 CZ ARG A 46 -13.395 -8.811 8.333 1.00 0.00 C ATOM 543 NH1 ARG A 46 -13.900 -8.758 9.564 1.00 0.00 N ATOM 544 NH2 ARG A 46 -14.030 -9.487 7.382 1.00 0.00 N ATOM 0 H ARG A 46 -11.965 -5.189 4.541 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.161 -6.874 6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.676 -6.148 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.274 -4.520 7.037 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.904 -5.294 9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.630 -5.517 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.443 -7.621 8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.832 -7.547 9.995 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.883 -8.297 7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.414 -8.236 10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.773 -9.240 9.778 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.644 -9.524 6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.903 -9.969 7.595 1.00 0.00 H new ATOM 558 N ASP A 47 -13.969 -3.915 5.709 1.00 0.00 N ATOM 559 CA ASP A 47 -14.943 -2.847 5.865 1.00 0.00 C ATOM 560 C ASP A 47 -16.271 -3.223 5.229 1.00 0.00 C ATOM 561 O ASP A 47 -17.326 -3.090 5.849 1.00 0.00 O ATOM 562 CB ASP A 47 -14.413 -1.571 5.243 1.00 0.00 C ATOM 563 CG ASP A 47 -15.260 -0.373 5.574 1.00 0.00 C ATOM 564 OD1 ASP A 47 -15.014 0.263 6.615 1.00 0.00 O ATOM 565 OD2 ASP A 47 -16.166 -0.054 4.790 1.00 0.00 O ATOM 0 H ASP A 47 -13.413 -3.861 4.856 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.109 -2.688 6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.394 -1.398 5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.366 -1.691 4.161 1.00 0.00 H new ATOM 570 N LEU A 48 -16.198 -3.706 3.987 1.00 0.00 N ATOM 571 CA LEU A 48 -17.372 -4.140 3.207 1.00 0.00 C ATOM 572 C LEU A 48 -18.244 -2.963 2.759 1.00 0.00 C ATOM 573 O LEU A 48 -19.316 -3.160 2.187 1.00 0.00 O ATOM 574 CB LEU A 48 -18.210 -5.170 3.984 1.00 0.00 C ATOM 575 CG LEU A 48 -17.480 -6.461 4.378 1.00 0.00 C ATOM 576 CD1 LEU A 48 -18.385 -7.349 5.211 1.00 0.00 C ATOM 577 CD2 LEU A 48 -16.999 -7.204 3.143 1.00 0.00 C ATOM 0 H LEU A 48 -15.317 -3.810 3.484 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.986 -4.618 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.586 -4.696 4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -19.078 -5.435 3.380 1.00 0.00 H new ATOM 0 HG LEU A 48 -16.610 -6.193 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.852 -8.260 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.681 -6.819 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.273 -7.606 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.484 -8.116 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.853 -7.460 2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.314 -6.570 2.581 1.00 0.00 H new ATOM 589 N LYS A 49 -17.784 -1.746 3.007 1.00 0.00 N ATOM 590 CA LYS A 49 -18.530 -0.555 2.613 1.00 0.00 C ATOM 591 C LYS A 49 -17.657 0.390 1.788 1.00 0.00 C ATOM 592 O LYS A 49 -18.126 1.418 1.293 1.00 0.00 O ATOM 593 CB LYS A 49 -19.058 0.158 3.857 1.00 0.00 C ATOM 594 CG LYS A 49 -20.025 -0.687 4.677 1.00 0.00 C ATOM 595 CD LYS A 49 -20.081 -0.233 6.126 1.00 0.00 C ATOM 596 CE LYS A 49 -18.741 -0.432 6.818 1.00 0.00 C ATOM 597 NZ LYS A 49 -18.833 -0.221 8.274 1.00 0.00 N ATOM 0 H LYS A 49 -16.900 -1.555 3.478 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.371 -0.862 1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.216 0.446 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.558 1.078 3.554 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.021 -0.628 4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.720 -1.733 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.363 0.819 6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.853 -0.792 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.377 -1.440 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.010 0.259 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.898 -0.367 8.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.155 0.749 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.511 -0.897 8.681 1.00 0.00 H new ATOM 611 N ILE A 50 -16.392 0.037 1.641 1.00 0.00 N ATOM 612 CA ILE A 50 -15.457 0.845 0.877 1.00 0.00 C ATOM 613 C ILE A 50 -15.576 0.543 -0.611 1.00 0.00 C ATOM 614 O ILE A 50 -15.595 -0.620 -1.022 1.00 0.00 O ATOM 615 CB ILE A 50 -13.997 0.617 1.343 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.837 1.072 2.792 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.015 1.361 0.440 1.00 0.00 C ATOM 618 CD1 ILE A 50 -12.476 0.782 3.376 1.00 0.00 C ATOM 0 H ILE A 50 -15.987 -0.808 2.043 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.713 1.890 1.051 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.775 -0.448 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.025 2.144 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.596 0.582 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.997 1.186 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.117 1.000 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.230 2.429 0.471 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.440 1.134 4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.291 -0.292 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.712 1.294 2.791 1.00 0.00 H new ATOM 630 N GLU A 51 -15.674 1.595 -1.406 1.00 0.00 N ATOM 631 CA GLU A 51 -15.798 1.462 -2.843 1.00 0.00 C ATOM 632 C GLU A 51 -14.432 1.374 -3.493 1.00 0.00 C ATOM 633 O GLU A 51 -13.424 1.794 -2.914 1.00 0.00 O ATOM 634 CB GLU A 51 -16.545 2.655 -3.423 1.00 0.00 C ATOM 635 CG GLU A 51 -17.930 2.856 -2.854 1.00 0.00 C ATOM 636 CD GLU A 51 -18.601 4.088 -3.410 1.00 0.00 C ATOM 637 OE1 GLU A 51 -18.354 5.189 -2.883 1.00 0.00 O ATOM 638 OE2 GLU A 51 -19.369 3.968 -4.382 1.00 0.00 O ATOM 0 H GLU A 51 -15.670 2.559 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.354 0.547 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.958 3.557 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.623 2.530 -4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -18.542 1.981 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.867 2.937 -1.769 1.00 0.00 H new ATOM 645 N GLN A 52 -14.402 0.841 -4.693 1.00 0.00 N ATOM 646 CA GLN A 52 -13.178 0.745 -5.449 1.00 0.00 C ATOM 647 C GLN A 52 -12.904 2.078 -6.121 1.00 0.00 C ATOM 648 O GLN A 52 -13.437 2.371 -7.189 1.00 0.00 O ATOM 649 CB GLN A 52 -13.285 -0.366 -6.491 1.00 0.00 C ATOM 650 CG GLN A 52 -13.593 -1.728 -5.897 1.00 0.00 C ATOM 651 CD GLN A 52 -13.849 -2.784 -6.949 1.00 0.00 C ATOM 652 OE1 GLN A 52 -13.321 -2.714 -8.059 1.00 0.00 O ATOM 653 NE2 GLN A 52 -14.661 -3.765 -6.611 1.00 0.00 N ATOM 0 H GLN A 52 -15.222 0.464 -5.169 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.354 0.502 -4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -14.064 -0.107 -7.208 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.348 -0.424 -7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.759 -2.042 -5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.466 -1.648 -5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.077 -3.785 -5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -14.873 -4.505 -7.280 1.00 0.00 H new ATOM 662 N SER A 53 -12.118 2.904 -5.467 1.00 0.00 N ATOM 663 CA SER A 53 -11.805 4.217 -5.985 1.00 0.00 C ATOM 664 C SER A 53 -10.311 4.511 -5.869 1.00 0.00 C ATOM 665 O SER A 53 -9.668 4.119 -4.894 1.00 0.00 O ATOM 666 CB SER A 53 -12.627 5.273 -5.237 1.00 0.00 C ATOM 667 OG SER A 53 -14.011 4.948 -5.269 1.00 0.00 O ATOM 0 H SER A 53 -11.682 2.688 -4.571 1.00 0.00 H new ATOM 0 HA SER A 53 -12.064 4.248 -7.043 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.288 5.340 -4.203 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.468 6.252 -5.689 1.00 0.00 H new ATOM 0 HG SER A 53 -14.519 5.632 -4.785 1.00 0.00 H new ATOM 673 N PRO A 54 -9.740 5.214 -6.876 1.00 0.00 N ATOM 674 CA PRO A 54 -8.307 5.567 -6.903 1.00 0.00 C ATOM 675 C PRO A 54 -7.905 6.474 -5.738 1.00 0.00 C ATOM 676 O PRO A 54 -6.721 6.627 -5.434 1.00 0.00 O ATOM 677 CB PRO A 54 -8.141 6.307 -8.240 1.00 0.00 C ATOM 678 CG PRO A 54 -9.515 6.760 -8.599 1.00 0.00 C ATOM 679 CD PRO A 54 -10.445 5.709 -8.073 1.00 0.00 C ATOM 0 HA PRO A 54 -7.673 4.685 -6.808 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.459 7.152 -8.142 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.728 5.651 -9.006 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.734 7.732 -8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.620 6.870 -9.678 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.422 6.122 -7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.611 4.915 -8.801 1.00 0.00 H new ATOM 687 N GLU A 55 -8.900 7.073 -5.090 1.00 0.00 N ATOM 688 CA GLU A 55 -8.660 7.921 -3.931 1.00 0.00 C ATOM 689 C GLU A 55 -8.053 7.106 -2.796 1.00 0.00 C ATOM 690 O GLU A 55 -7.250 7.612 -2.012 1.00 0.00 O ATOM 691 CB GLU A 55 -9.958 8.579 -3.468 1.00 0.00 C ATOM 692 CG GLU A 55 -10.528 9.577 -4.457 1.00 0.00 C ATOM 693 CD GLU A 55 -11.811 10.209 -3.970 1.00 0.00 C ATOM 694 OE1 GLU A 55 -11.797 10.842 -2.893 1.00 0.00 O ATOM 695 OE2 GLU A 55 -12.836 10.092 -4.670 1.00 0.00 O ATOM 0 H GLU A 55 -9.882 6.985 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.958 8.703 -4.218 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.700 7.803 -3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.779 9.084 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.791 10.358 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.712 9.076 -5.408 1.00 0.00 H new ATOM 702 N LEU A 56 -8.434 5.832 -2.727 1.00 0.00 N ATOM 703 CA LEU A 56 -7.899 4.937 -1.719 1.00 0.00 C ATOM 704 C LEU A 56 -6.432 4.669 -1.991 1.00 0.00 C ATOM 705 O LEU A 56 -5.628 4.595 -1.065 1.00 0.00 O ATOM 706 CB LEU A 56 -8.685 3.609 -1.668 1.00 0.00 C ATOM 707 CG LEU A 56 -10.080 3.650 -1.008 1.00 0.00 C ATOM 708 CD1 LEU A 56 -9.998 4.207 0.406 1.00 0.00 C ATOM 709 CD2 LEU A 56 -11.069 4.448 -1.846 1.00 0.00 C ATOM 0 H LEU A 56 -9.110 5.403 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.003 5.421 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.803 3.245 -2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.079 2.876 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.445 2.625 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.994 4.225 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.345 3.576 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.596 5.220 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.041 4.456 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.709 5.471 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.166 3.989 -2.830 1.00 0.00 H new ATOM 721 N SER A 57 -6.089 4.538 -3.274 1.00 0.00 N ATOM 722 CA SER A 57 -4.710 4.318 -3.693 1.00 0.00 C ATOM 723 C SER A 57 -3.827 5.471 -3.207 1.00 0.00 C ATOM 724 O SER A 57 -2.865 5.267 -2.466 1.00 0.00 O ATOM 725 CB SER A 57 -4.648 4.234 -5.214 1.00 0.00 C ATOM 726 OG SER A 57 -5.780 3.551 -5.730 1.00 0.00 O ATOM 0 H SER A 57 -6.756 4.582 -4.044 1.00 0.00 H new ATOM 0 HA SER A 57 -4.349 3.385 -3.261 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.600 5.238 -5.636 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.737 3.717 -5.517 1.00 0.00 H new ATOM 0 HG SER A 57 -5.720 3.510 -6.707 1.00 0.00 H new ATOM 732 N ALA A 58 -4.161 6.677 -3.661 1.00 0.00 N ATOM 733 CA ALA A 58 -3.465 7.895 -3.245 1.00 0.00 C ATOM 734 C ALA A 58 -3.289 7.947 -1.722 1.00 0.00 C ATOM 735 O ALA A 58 -2.220 8.284 -1.225 1.00 0.00 O ATOM 736 CB ALA A 58 -4.219 9.123 -3.734 1.00 0.00 C ATOM 0 H ALA A 58 -4.918 6.838 -4.325 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.472 7.885 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.692 10.023 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.282 9.102 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.224 9.125 -3.312 1.00 0.00 H new ATOM 742 N LYS A 59 -4.339 7.595 -1.000 1.00 0.00 N ATOM 743 CA LYS A 59 -4.323 7.604 0.458 1.00 0.00 C ATOM 744 C LYS A 59 -3.329 6.566 1.018 1.00 0.00 C ATOM 745 O LYS A 59 -2.420 6.908 1.788 1.00 0.00 O ATOM 746 CB LYS A 59 -5.733 7.305 0.977 1.00 0.00 C ATOM 747 CG LYS A 59 -5.941 7.592 2.453 1.00 0.00 C ATOM 748 CD LYS A 59 -7.317 7.128 2.904 1.00 0.00 C ATOM 749 CE LYS A 59 -7.666 7.657 4.285 1.00 0.00 C ATOM 750 NZ LYS A 59 -7.843 9.130 4.284 1.00 0.00 N ATOM 0 H LYS A 59 -5.226 7.295 -1.404 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.000 8.589 0.794 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.449 7.893 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.959 6.255 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.172 7.087 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.833 8.661 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.067 7.462 2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.348 6.038 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.582 7.181 4.635 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.878 7.386 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.365 9.417 5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.911 9.592 4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.377 9.415 3.438 1.00 0.00 H new ATOM 764 N VAL A 60 -3.518 5.308 0.623 1.00 0.00 N ATOM 765 CA VAL A 60 -2.693 4.192 1.110 1.00 0.00 C ATOM 766 C VAL A 60 -1.198 4.349 0.758 1.00 0.00 C ATOM 767 O VAL A 60 -0.336 3.839 1.464 1.00 0.00 O ATOM 768 CB VAL A 60 -3.223 2.809 0.611 1.00 0.00 C ATOM 769 CG1 VAL A 60 -3.067 2.658 -0.889 1.00 0.00 C ATOM 770 CG2 VAL A 60 -2.527 1.666 1.336 1.00 0.00 C ATOM 0 H VAL A 60 -4.242 5.030 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.777 4.222 2.196 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.288 2.768 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.446 1.684 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.629 3.443 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.013 2.738 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.914 0.715 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.454 1.717 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.714 1.747 2.407 1.00 0.00 H new ATOM 780 N VAL A 61 -0.891 5.087 -0.295 1.00 0.00 N ATOM 781 CA VAL A 61 0.503 5.254 -0.695 1.00 0.00 C ATOM 782 C VAL A 61 1.091 6.517 -0.058 1.00 0.00 C ATOM 783 O VAL A 61 2.305 6.660 0.078 1.00 0.00 O ATOM 784 CB VAL A 61 0.670 5.300 -2.244 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.111 6.588 -2.832 1.00 0.00 C ATOM 786 CG2 VAL A 61 2.131 5.106 -2.641 1.00 0.00 C ATOM 0 H VAL A 61 -1.570 5.573 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 61 1.050 4.382 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 61 0.092 4.475 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.246 6.583 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.951 6.663 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.637 7.442 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.221 5.142 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.736 5.898 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.481 4.139 -2.280 1.00 0.00 H new ATOM 796 N GLU A 62 0.217 7.421 0.341 1.00 0.00 N ATOM 797 CA GLU A 62 0.631 8.667 0.948 1.00 0.00 C ATOM 798 C GLU A 62 0.929 8.496 2.438 1.00 0.00 C ATOM 799 O GLU A 62 2.040 8.759 2.896 1.00 0.00 O ATOM 800 CB GLU A 62 -0.446 9.739 0.751 1.00 0.00 C ATOM 801 CG GLU A 62 -0.079 11.101 1.315 1.00 0.00 C ATOM 802 CD GLU A 62 1.133 11.704 0.640 1.00 0.00 C ATOM 803 OE1 GLU A 62 2.270 11.368 1.032 1.00 0.00 O ATOM 804 OE2 GLU A 62 0.953 12.524 -0.286 1.00 0.00 O ATOM 0 H GLU A 62 -0.793 7.312 0.253 1.00 0.00 H new ATOM 0 HA GLU A 62 1.550 8.984 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.649 9.842 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.370 9.401 1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.927 11.777 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.114 11.007 2.384 1.00 0.00 H new ATOM 811 N LYS A 63 -0.062 8.036 3.181 1.00 0.00 N ATOM 812 CA LYS A 63 0.054 7.955 4.630 1.00 0.00 C ATOM 813 C LYS A 63 0.811 6.724 5.104 1.00 0.00 C ATOM 814 O LYS A 63 1.654 6.824 5.985 1.00 0.00 O ATOM 815 CB LYS A 63 -1.326 8.046 5.287 1.00 0.00 C ATOM 816 CG LYS A 63 -2.070 9.335 4.951 1.00 0.00 C ATOM 817 CD LYS A 63 -1.230 10.559 5.299 1.00 0.00 C ATOM 818 CE LYS A 63 -1.885 11.845 4.832 1.00 0.00 C ATOM 819 NZ LYS A 63 -1.017 13.018 5.083 1.00 0.00 N ATOM 0 H LYS A 63 -0.955 7.713 2.808 1.00 0.00 H new ATOM 0 HA LYS A 63 0.650 8.812 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.928 7.194 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.212 7.972 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.318 9.350 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.012 9.369 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.077 10.600 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.245 10.466 4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.106 11.776 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.836 11.978 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.495 13.880 4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.827 13.097 6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.119 12.901 4.571 1.00 0.00 H new ATOM 833 N LEU A 64 0.509 5.573 4.541 1.00 0.00 N ATOM 834 CA LEU A 64 1.200 4.350 4.952 1.00 0.00 C ATOM 835 C LEU A 64 2.708 4.443 4.727 1.00 0.00 C ATOM 836 O LEU A 64 3.475 4.157 5.630 1.00 0.00 O ATOM 837 CB LEU A 64 0.600 3.091 4.312 1.00 0.00 C ATOM 838 CG LEU A 64 -0.636 2.520 5.012 1.00 0.00 C ATOM 839 CD1 LEU A 64 -0.295 2.065 6.426 1.00 0.00 C ATOM 840 CD2 LEU A 64 -1.768 3.541 5.041 1.00 0.00 C ATOM 0 H LEU A 64 -0.194 5.449 3.812 1.00 0.00 H new ATOM 0 HA LEU A 64 1.042 4.253 6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.338 3.320 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.368 2.318 4.282 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.972 1.654 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.188 1.663 6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.473 1.293 6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.074 2.913 7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.634 3.110 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.442 4.431 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.039 3.813 4.021 1.00 0.00 H new ATOM 852 N ASN A 65 3.124 4.887 3.542 1.00 0.00 N ATOM 853 CA ASN A 65 4.557 5.063 3.247 1.00 0.00 C ATOM 854 C ASN A 65 5.160 6.109 4.187 1.00 0.00 C ATOM 855 O ASN A 65 6.349 6.085 4.489 1.00 0.00 O ATOM 856 CB ASN A 65 4.760 5.484 1.785 1.00 0.00 C ATOM 857 CG ASN A 65 6.224 5.692 1.415 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.108 4.980 1.887 1.00 0.00 O ATOM 859 ND2 ASN A 65 6.487 6.686 0.581 1.00 0.00 N ATOM 0 H ASN A 65 2.501 5.131 2.773 1.00 0.00 H new ATOM 0 HA ASN A 65 5.064 4.111 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.332 4.723 1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.211 6.407 1.601 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.450 6.883 0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.726 7.255 0.210 1.00 0.00 H new ATOM 866 N GLN A 66 4.312 7.011 4.665 1.00 0.00 N ATOM 867 CA GLN A 66 4.741 8.028 5.602 1.00 0.00 C ATOM 868 C GLN A 66 5.062 7.357 6.935 1.00 0.00 C ATOM 869 O GLN A 66 6.057 7.672 7.582 1.00 0.00 O ATOM 870 CB GLN A 66 3.658 9.095 5.781 1.00 0.00 C ATOM 871 CG GLN A 66 4.200 10.513 5.811 1.00 0.00 C ATOM 872 CD GLN A 66 4.834 10.925 4.487 1.00 0.00 C ATOM 873 OE1 GLN A 66 5.788 11.699 4.460 1.00 0.00 O ATOM 874 NE2 GLN A 66 4.294 10.430 3.383 1.00 0.00 N ATOM 0 H GLN A 66 3.324 7.055 4.416 1.00 0.00 H new ATOM 0 HA GLN A 66 5.631 8.527 5.217 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.936 9.008 4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.119 8.901 6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.391 11.202 6.053 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.940 10.599 6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.502 9.790 3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.670 10.689 2.471 1.00 0.00 H new ATOM 883 N VAL A 67 4.197 6.431 7.336 1.00 0.00 N ATOM 884 CA VAL A 67 4.426 5.626 8.529 1.00 0.00 C ATOM 885 C VAL A 67 5.640 4.719 8.322 1.00 0.00 C ATOM 886 O VAL A 67 6.450 4.538 9.216 1.00 0.00 O ATOM 887 CB VAL A 67 3.196 4.750 8.876 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.418 3.986 10.176 1.00 0.00 C ATOM 889 CG2 VAL A 67 1.937 5.598 8.961 1.00 0.00 C ATOM 0 H VAL A 67 3.326 6.219 6.849 1.00 0.00 H new ATOM 0 HA VAL A 67 4.604 6.313 9.356 1.00 0.00 H new ATOM 0 HB VAL A 67 3.066 4.023 8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.540 3.379 10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.289 3.339 10.074 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.584 4.692 10.989 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.086 4.962 9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.060 6.355 9.736 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.762 6.086 8.002 1.00 0.00 H new ATOM 899 N CYS A 68 5.766 4.161 7.135 1.00 0.00 N ATOM 900 CA CYS A 68 6.898 3.302 6.802 1.00 0.00 C ATOM 901 C CYS A 68 8.198 4.099 6.736 1.00 0.00 C ATOM 902 O CYS A 68 9.284 3.533 6.649 1.00 0.00 O ATOM 903 CB CYS A 68 6.633 2.603 5.488 1.00 0.00 C ATOM 904 SG CYS A 68 5.040 1.725 5.456 1.00 0.00 S ATOM 0 H CYS A 68 5.096 4.285 6.376 1.00 0.00 H new ATOM 0 HA CYS A 68 7.012 2.556 7.589 1.00 0.00 H new ATOM 0 HB2 CYS A 68 6.653 3.337 4.682 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.437 1.893 5.292 1.00 0.00 H new ATOM 909 N ALA A 69 8.074 5.413 6.781 1.00 0.00 N ATOM 910 CA ALA A 69 9.233 6.285 6.815 1.00 0.00 C ATOM 911 C ALA A 69 9.764 6.378 8.244 1.00 0.00 C ATOM 912 O ALA A 69 10.910 6.747 8.473 1.00 0.00 O ATOM 913 CB ALA A 69 8.888 7.665 6.280 1.00 0.00 C ATOM 0 H ALA A 69 7.178 5.901 6.795 1.00 0.00 H new ATOM 0 HA ALA A 69 10.008 5.864 6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.773 8.301 6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.543 7.580 5.249 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.100 8.105 6.891 1.00 0.00 H new ATOM 919 N LYS A 70 8.914 6.021 9.208 1.00 0.00 N ATOM 920 CA LYS A 70 9.306 6.024 10.613 1.00 0.00 C ATOM 921 C LYS A 70 9.576 4.587 11.062 1.00 0.00 C ATOM 922 O LYS A 70 9.965 4.332 12.204 1.00 0.00 O ATOM 923 CB LYS A 70 8.233 6.691 11.502 1.00 0.00 C ATOM 924 CG LYS A 70 6.972 5.864 11.708 1.00 0.00 C ATOM 925 CD LYS A 70 5.909 6.626 12.489 1.00 0.00 C ATOM 926 CE LYS A 70 6.385 6.988 13.887 1.00 0.00 C ATOM 927 NZ LYS A 70 5.291 7.561 14.708 1.00 0.00 N ATOM 0 H LYS A 70 7.952 5.727 9.039 1.00 0.00 H new ATOM 0 HA LYS A 70 10.216 6.614 10.722 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.672 6.908 12.476 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.955 7.647 11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.569 5.571 10.739 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.224 4.946 12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.643 7.535 11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.005 6.021 12.558 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.781 6.099 14.378 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.203 7.706 13.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.653 7.795 15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.930 8.423 14.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.521 6.867 14.794 1.00 0.00 H new ATOM 941 N ASP A 71 9.354 3.658 10.142 1.00 0.00 N ATOM 942 CA ASP A 71 9.577 2.237 10.372 1.00 0.00 C ATOM 943 C ASP A 71 9.755 1.535 9.031 1.00 0.00 C ATOM 944 O ASP A 71 8.780 1.148 8.385 1.00 0.00 O ATOM 945 CB ASP A 71 8.412 1.616 11.146 1.00 0.00 C ATOM 946 CG ASP A 71 8.557 0.118 11.330 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.642 -0.336 11.752 1.00 0.00 O ATOM 948 OD2 ASP A 71 7.579 -0.609 11.063 1.00 0.00 O ATOM 0 H ASP A 71 9.011 3.872 9.206 1.00 0.00 H new ATOM 0 HA ASP A 71 10.478 2.114 10.973 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.338 2.091 12.124 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.481 1.824 10.619 1.00 0.00 H new ATOM 953 N PRO A 72 11.007 1.380 8.584 1.00 0.00 N ATOM 954 CA PRO A 72 11.310 0.803 7.277 1.00 0.00 C ATOM 955 C PRO A 72 11.195 -0.714 7.260 1.00 0.00 C ATOM 956 O PRO A 72 11.274 -1.333 6.208 1.00 0.00 O ATOM 957 CB PRO A 72 12.755 1.232 7.039 1.00 0.00 C ATOM 958 CG PRO A 72 13.347 1.324 8.403 1.00 0.00 C ATOM 959 CD PRO A 72 12.233 1.748 9.325 1.00 0.00 C ATOM 0 HA PRO A 72 10.612 1.141 6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.288 0.507 6.423 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.804 2.189 6.520 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.762 0.364 8.711 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.164 2.046 8.424 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.290 1.235 10.285 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.270 2.817 9.533 1.00 0.00 H new ATOM 967 N GLN A 73 11.014 -1.307 8.429 1.00 0.00 N ATOM 968 CA GLN A 73 10.892 -2.753 8.543 1.00 0.00 C ATOM 969 C GLN A 73 9.506 -3.233 8.091 1.00 0.00 C ATOM 970 O GLN A 73 9.253 -4.438 7.981 1.00 0.00 O ATOM 971 CB GLN A 73 11.160 -3.184 9.986 1.00 0.00 C ATOM 972 CG GLN A 73 11.553 -4.642 10.127 1.00 0.00 C ATOM 973 CD GLN A 73 12.850 -4.969 9.400 1.00 0.00 C ATOM 974 OE1 GLN A 73 13.752 -4.001 9.317 1.00 0.00 O flip ATOM 975 NE2 GLN A 73 13.040 -6.084 8.924 1.00 0.00 N flip ATOM 0 H GLN A 73 10.948 -0.808 9.316 1.00 0.00 H new ATOM 0 HA GLN A 73 11.632 -3.211 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.954 -2.562 10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.267 -2.999 10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.661 -4.885 11.184 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.753 -5.270 9.736 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.322 -6.803 9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.916 -6.291 8.444 1.00 0.00 H new ATOM 984 N MET A 74 8.624 -2.288 7.825 1.00 0.00 N ATOM 985 CA MET A 74 7.271 -2.594 7.394 1.00 0.00 C ATOM 986 C MET A 74 7.248 -2.969 5.908 1.00 0.00 C ATOM 987 O MET A 74 7.789 -2.245 5.068 1.00 0.00 O ATOM 988 CB MET A 74 6.365 -1.379 7.643 1.00 0.00 C ATOM 989 CG MET A 74 4.911 -1.589 7.247 1.00 0.00 C ATOM 990 SD MET A 74 4.081 -2.841 8.242 1.00 0.00 S ATOM 991 CE MET A 74 4.125 -2.082 9.864 1.00 0.00 C ATOM 0 H MET A 74 8.823 -1.290 7.901 1.00 0.00 H new ATOM 0 HA MET A 74 6.904 -3.445 7.968 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.407 -1.120 8.701 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.760 -0.527 7.090 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.375 -0.645 7.341 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.865 -1.878 6.197 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.379 -2.551 10.505 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.114 -2.215 10.301 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.909 -1.018 9.774 1.00 0.00 H new ATOM 1001 N LEU A 75 6.639 -4.103 5.590 1.00 0.00 N ATOM 1002 CA LEU A 75 6.514 -4.546 4.200 1.00 0.00 C ATOM 1003 C LEU A 75 5.337 -3.857 3.545 1.00 0.00 C ATOM 1004 O LEU A 75 4.462 -3.331 4.232 1.00 0.00 O ATOM 1005 CB LEU A 75 6.322 -6.062 4.128 1.00 0.00 C ATOM 1006 CG LEU A 75 7.451 -6.908 4.706 1.00 0.00 C ATOM 1007 CD1 LEU A 75 7.119 -8.387 4.581 1.00 0.00 C ATOM 1008 CD2 LEU A 75 8.764 -6.596 4.008 1.00 0.00 C ATOM 0 H LEU A 75 6.222 -4.736 6.273 1.00 0.00 H new ATOM 0 HA LEU A 75 7.432 -4.285 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.400 -6.317 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.184 -6.341 3.084 1.00 0.00 H new ATOM 0 HG LEU A 75 7.560 -6.664 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.934 -8.979 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.199 -8.601 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.986 -8.642 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.558 -7.210 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.671 -6.812 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.007 -5.542 4.144 1.00 0.00 H new ATOM 1020 N LEU A 76 5.312 -3.857 2.222 1.00 0.00 N ATOM 1021 CA LEU A 76 4.230 -3.214 1.495 1.00 0.00 C ATOM 1022 C LEU A 76 2.918 -3.939 1.757 1.00 0.00 C ATOM 1023 O LEU A 76 1.894 -3.313 2.017 1.00 0.00 O ATOM 1024 CB LEU A 76 4.526 -3.175 -0.006 1.00 0.00 C ATOM 1025 CG LEU A 76 3.518 -2.397 -0.859 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.472 -0.935 -0.436 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.859 -2.515 -2.336 1.00 0.00 C ATOM 0 H LEU A 76 6.023 -4.292 1.633 1.00 0.00 H new ATOM 0 HA LEU A 76 4.143 -2.187 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.513 -2.737 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.574 -4.199 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 76 2.531 -2.831 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.751 -0.400 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.174 -0.868 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.458 -0.489 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.131 -1.955 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.856 -2.111 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.835 -3.564 -2.632 1.00 0.00 H new ATOM 1039 N ILE A 77 2.965 -5.264 1.709 1.00 0.00 N ATOM 1040 CA ILE A 77 1.790 -6.083 1.971 1.00 0.00 C ATOM 1041 C ILE A 77 1.260 -5.810 3.370 1.00 0.00 C ATOM 1042 O ILE A 77 0.060 -5.612 3.562 1.00 0.00 O ATOM 1043 CB ILE A 77 2.109 -7.593 1.830 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.658 -7.902 0.429 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.873 -8.442 2.120 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.713 -7.536 -0.701 1.00 0.00 C ATOM 0 H ILE A 77 3.808 -5.795 1.490 1.00 0.00 H new ATOM 0 HA ILE A 77 1.034 -5.818 1.232 1.00 0.00 H new ATOM 0 HB ILE A 77 2.874 -7.846 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.597 -7.365 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.887 -8.966 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.124 -9.498 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.530 -8.251 3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.082 -8.185 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.175 -7.785 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.782 -8.092 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.503 -6.467 -0.668 1.00 0.00 H new ATOM 1058 N THR A 78 2.165 -5.777 4.338 1.00 0.00 N ATOM 1059 CA THR A 78 1.801 -5.533 5.716 1.00 0.00 C ATOM 1060 C THR A 78 1.202 -4.134 5.881 1.00 0.00 C ATOM 1061 O THR A 78 0.166 -3.977 6.503 1.00 0.00 O ATOM 1062 CB THR A 78 3.022 -5.677 6.632 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.846 -6.752 6.157 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.584 -5.976 8.059 1.00 0.00 C ATOM 0 H THR A 78 3.164 -5.918 4.186 1.00 0.00 H new ATOM 0 HA THR A 78 1.053 -6.274 5.998 1.00 0.00 H new ATOM 0 HB THR A 78 3.582 -4.742 6.622 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.629 -6.846 6.739 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.463 -6.075 8.696 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.960 -5.161 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.015 -6.906 8.078 1.00 0.00 H new ATOM 1072 N ALA A 79 1.875 -3.126 5.325 1.00 0.00 N ATOM 1073 CA ALA A 79 1.389 -1.743 5.371 1.00 0.00 C ATOM 1074 C ALA A 79 -0.042 -1.631 4.856 1.00 0.00 C ATOM 1075 O ALA A 79 -0.897 -1.019 5.497 1.00 0.00 O ATOM 1076 CB ALA A 79 2.302 -0.836 4.573 1.00 0.00 C ATOM 0 H ALA A 79 2.762 -3.241 4.835 1.00 0.00 H new ATOM 0 HA ALA A 79 1.394 -1.428 6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.928 0.187 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.308 -0.873 4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.329 -1.168 3.535 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.304 -2.229 3.705 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.638 -2.201 3.118 1.00 0.00 C ATOM 1084 C ILE A 80 -2.630 -2.945 4.013 1.00 0.00 C ATOM 1085 O ILE A 80 -3.767 -2.509 4.201 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.643 -2.813 1.701 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.664 -2.058 0.795 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -3.045 -2.782 1.111 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.523 -2.655 -0.589 1.00 0.00 C ATOM 0 H ILE A 80 0.388 -2.740 3.157 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.942 -1.158 3.037 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.323 -3.853 1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.995 -1.024 0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.316 -2.038 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.029 -3.217 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.720 -3.356 1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.392 -1.750 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.186 -2.065 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.162 -3.680 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.492 -2.650 -1.088 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.180 -4.052 4.587 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.007 -4.827 5.504 1.00 0.00 C ATOM 1103 C ASP A 81 -3.253 -4.025 6.779 1.00 0.00 C ATOM 1104 O ASP A 81 -4.285 -4.165 7.434 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.333 -6.162 5.838 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.228 -7.089 6.636 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.206 -7.024 7.879 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.954 -7.895 6.017 1.00 0.00 O ATOM 0 H ASP A 81 -1.247 -4.434 4.434 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.963 -5.037 5.024 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.039 -6.657 4.912 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.420 -5.972 6.402 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.297 -3.170 7.117 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.416 -2.301 8.275 1.00 0.00 C ATOM 1115 C ASP A 82 -3.408 -1.188 7.983 1.00 0.00 C ATOM 1116 O ASP A 82 -4.117 -0.704 8.872 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.057 -1.719 8.679 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.137 -0.859 9.930 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.308 -1.416 11.040 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -1.010 0.378 9.819 1.00 0.00 O ATOM 0 H ASP A 82 -1.425 -3.061 6.600 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.781 -2.895 9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.353 -2.534 8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.663 -1.122 7.857 1.00 0.00 H new ATOM 1125 N THR A 83 -3.470 -0.815 6.719 1.00 0.00 N ATOM 1126 CA THR A 83 -4.405 0.190 6.237 1.00 0.00 C ATOM 1127 C THR A 83 -5.829 -0.297 6.476 1.00 0.00 C ATOM 1128 O THR A 83 -6.741 0.491 6.762 1.00 0.00 O ATOM 1129 CB THR A 83 -4.212 0.437 4.727 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.825 0.605 4.434 1.00 0.00 O ATOM 1131 CG2 THR A 83 -4.971 1.675 4.278 1.00 0.00 C ATOM 0 H THR A 83 -2.870 -1.202 5.991 1.00 0.00 H new ATOM 0 HA THR A 83 -4.223 1.121 6.774 1.00 0.00 H new ATOM 0 HB THR A 83 -4.601 -0.428 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.315 -0.129 4.835 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.819 1.828 3.210 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.034 1.542 4.478 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.605 2.544 4.824 1.00 0.00 H new ATOM 1139 N MET A 84 -6.003 -1.611 6.368 1.00 0.00 N ATOM 1140 CA MET A 84 -7.278 -2.255 6.616 1.00 0.00 C ATOM 1141 C MET A 84 -7.778 -1.934 8.012 1.00 0.00 C ATOM 1142 O MET A 84 -8.955 -1.740 8.221 1.00 0.00 O ATOM 1143 CB MET A 84 -7.143 -3.769 6.470 1.00 0.00 C ATOM 1144 CG MET A 84 -8.267 -4.548 7.135 1.00 0.00 C ATOM 1145 SD MET A 84 -7.969 -6.317 7.157 1.00 0.00 S ATOM 1146 CE MET A 84 -7.910 -6.635 5.409 1.00 0.00 C ATOM 0 H MET A 84 -5.258 -2.256 6.105 1.00 0.00 H new ATOM 0 HA MET A 84 -7.993 -1.879 5.884 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.114 -4.022 5.410 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.191 -4.083 6.899 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.393 -4.193 8.158 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.201 -4.348 6.610 1.00 0.00 H new ATOM 0 HE1 MET A 84 -8.848 -7.090 5.090 1.00 0.00 H new ATOM 0 HE2 MET A 84 -7.762 -5.697 4.873 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.085 -7.312 5.190 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.871 -1.888 8.956 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.219 -1.616 10.340 1.00 0.00 C ATOM 1158 C ARG A 85 -7.569 -0.149 10.519 1.00 0.00 C ATOM 1159 O ARG A 85 -8.522 0.194 11.221 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.047 -1.988 11.234 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.498 -3.372 10.942 1.00 0.00 C ATOM 1162 CD ARG A 85 -3.989 -3.385 11.010 1.00 0.00 C ATOM 1163 NE ARG A 85 -3.421 -4.566 10.347 1.00 0.00 N ATOM 1164 CZ ARG A 85 -2.142 -4.947 10.441 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -1.279 -4.229 11.152 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -1.726 -6.025 9.792 1.00 0.00 N ATOM 0 H ARG A 85 -5.875 -2.036 8.795 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.089 -2.212 10.615 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.252 -1.253 11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.362 -1.940 12.276 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.903 -4.086 11.659 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.823 -3.694 9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.597 -2.482 10.542 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.672 -3.367 12.053 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.045 -5.135 9.775 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.591 -3.383 11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.305 -4.524 11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.380 -6.562 9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.751 -6.318 9.862 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.782 0.710 9.890 1.00 0.00 N ATOM 1181 CA ALA A 86 -7.007 2.145 9.945 1.00 0.00 C ATOM 1182 C ALA A 86 -8.367 2.535 9.365 1.00 0.00 C ATOM 1183 O ALA A 86 -9.168 3.194 10.031 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.890 2.881 9.216 1.00 0.00 C ATOM 0 H ALA A 86 -5.975 0.434 9.331 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.005 2.437 10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.070 3.955 9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.935 2.652 9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.865 2.564 8.173 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.636 2.112 8.140 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.876 2.496 7.465 1.00 0.00 C ATOM 1192 C ILE A 87 -11.022 1.558 7.802 1.00 0.00 C ATOM 1193 O ILE A 87 -12.153 2.003 7.927 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.722 2.526 5.944 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.435 3.211 5.544 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -10.909 3.246 5.313 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.174 3.104 4.074 1.00 0.00 C ATOM 0 H ILE A 87 -8.022 1.508 7.593 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.102 3.499 7.828 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.690 1.497 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.481 4.262 5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.604 2.769 6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.791 3.262 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.830 2.723 5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.956 4.268 5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.239 3.610 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.101 2.053 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.992 3.570 3.524 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.715 0.260 7.913 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.723 -0.758 8.217 1.00 0.00 C ATOM 1211 C GLY A 88 -12.587 -0.401 9.409 1.00 0.00 C ATOM 1212 O GLY A 88 -12.225 -0.677 10.556 1.00 0.00 O ATOM 0 H GLY A 88 -9.772 -0.109 7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.360 -0.902 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.225 -1.708 8.408 1.00 0.00 H new