USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0055 K(o=-0.0055,f=-1.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= 0.457 (180deg=-0.838) USER MOD Single : A 28 SER OG : rot 136:sc= -0.596 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= -1.27 (180deg=-2.81!) USER MOD Single : A 43 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.016) USER MOD Single : A 44 SER OG : rot 92:sc= 0.84 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= -0.0667 (180deg=-0.701) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.23) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0381 USER MOD Single : A 72 LYS NZ :NH3+ 148:sc= -0.156 (180deg=-1.02) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 76 THR OG1 : rot 114:sc= 0.532 USER MOD Single : A 78 GLN : amide:sc= -0.533 K(o=-0.53,f=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ -130:sc= 0.631 (180deg=-0.147) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.51 K(o=-0.51,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -2.83! K(o=-2.8!,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.927 K(o=-0.93,f=-3.2!) USER MOD Single : B 63 LYS NZ :NH3+ -165:sc= -0.0132 (180deg=-0.328) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 68 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 3 -2.480 -2.070 8.674 1.00 0.20 N ATOM 37 CA LYS A 3 -1.546 -3.171 9.078 1.00 0.18 C ATOM 38 C LYS A 3 -0.152 -2.828 8.554 1.00 0.15 C ATOM 39 O LYS A 3 0.037 -2.580 7.381 1.00 0.16 O ATOM 40 CB LYS A 3 -2.018 -4.496 8.448 1.00 0.19 C ATOM 41 CG LYS A 3 -1.138 -5.674 8.920 1.00 0.20 C ATOM 42 CD LYS A 3 -1.607 -6.176 10.291 1.00 0.81 C ATOM 43 CE LYS A 3 -0.787 -7.406 10.695 1.00 1.03 C ATOM 44 NZ LYS A 3 -1.260 -7.911 12.017 1.00 1.67 N ATOM 0 HA LYS A 3 -1.528 -3.276 10.163 1.00 0.18 H new ATOM 0 HB2 LYS A 3 -3.057 -4.682 8.718 1.00 0.19 H new ATOM 0 HB3 LYS A 3 -1.980 -4.421 7.361 1.00 0.19 H new ATOM 0 HG2 LYS A 3 -1.185 -6.485 8.193 1.00 0.20 H new ATOM 0 HG3 LYS A 3 -0.097 -5.358 8.978 1.00 0.20 H new ATOM 0 HD2 LYS A 3 -1.493 -5.389 11.036 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -2.667 -6.429 10.254 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.886 -8.186 9.940 1.00 1.03 H new ATOM 0 HE3 LYS A 3 0.271 -7.148 10.750 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 -0.702 -8.746 12.289 1.00 1.67 H new ATOM 0 HZ2 LYS A 3 -1.143 -7.167 12.735 1.00 1.67 H new ATOM 0 HZ3 LYS A 3 -2.264 -8.173 11.950 1.00 1.67 H new ATOM 58 N GLN A 4 0.831 -2.822 9.415 1.00 0.15 N ATOM 59 CA GLN A 4 2.218 -2.504 8.967 1.00 0.14 C ATOM 60 C GLN A 4 2.959 -3.816 8.732 1.00 0.12 C ATOM 61 O GLN A 4 3.078 -4.641 9.617 1.00 0.13 O ATOM 62 CB GLN A 4 2.932 -1.698 10.056 1.00 0.16 C ATOM 63 CG GLN A 4 4.358 -1.349 9.604 1.00 0.17 C ATOM 64 CD GLN A 4 5.082 -0.614 10.731 1.00 0.22 C ATOM 65 OE1 GLN A 4 4.781 -0.808 11.893 1.00 0.29 O ATOM 66 NE2 GLN A 4 6.032 0.228 10.436 1.00 0.31 N ATOM 0 H GLN A 4 0.733 -3.024 10.410 1.00 0.15 H new ATOM 0 HA GLN A 4 2.194 -1.918 8.048 1.00 0.14 H new ATOM 0 HB2 GLN A 4 2.375 -0.785 10.268 1.00 0.16 H new ATOM 0 HB3 GLN A 4 2.966 -2.273 10.982 1.00 0.16 H new ATOM 0 HG2 GLN A 4 4.900 -2.257 9.340 1.00 0.17 H new ATOM 0 HG3 GLN A 4 4.326 -0.726 8.710 1.00 0.17 H new ATOM 0 HE21 GLN A 4 6.285 0.391 9.461 1.00 0.31 H new ATOM 0 HE22 GLN A 4 6.523 0.724 11.180 1.00 0.31 H new ATOM 75 N ILE A 5 3.471 -4.008 7.550 1.00 0.10 N ATOM 76 CA ILE A 5 4.213 -5.261 7.245 1.00 0.10 C ATOM 77 C ILE A 5 5.709 -4.978 7.328 1.00 0.10 C ATOM 78 O ILE A 5 6.249 -4.237 6.530 1.00 0.11 O ATOM 79 CB ILE A 5 3.876 -5.694 5.826 1.00 0.11 C ATOM 80 CG1 ILE A 5 2.354 -5.723 5.634 1.00 0.13 C ATOM 81 CG2 ILE A 5 4.457 -7.073 5.563 1.00 0.15 C ATOM 82 CD1 ILE A 5 1.695 -6.613 6.698 1.00 0.19 C ATOM 0 H ILE A 5 3.407 -3.346 6.777 1.00 0.10 H new ATOM 0 HA ILE A 5 3.939 -6.043 7.953 1.00 0.10 H new ATOM 0 HB ILE A 5 4.307 -4.982 5.122 1.00 0.11 H new ATOM 0 HG12 ILE A 5 1.954 -4.711 5.699 1.00 0.13 H new ATOM 0 HG13 ILE A 5 2.114 -6.097 4.639 1.00 0.13 H new ATOM 0 HG21 ILE A 5 4.215 -7.382 4.546 1.00 0.15 H new ATOM 0 HG22 ILE A 5 5.540 -7.041 5.684 1.00 0.15 H new ATOM 0 HG23 ILE A 5 4.034 -7.787 6.270 1.00 0.15 H new ATOM 0 HD11 ILE A 5 0.616 -6.622 6.547 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.082 -7.629 6.613 1.00 0.19 H new ATOM 0 HD13 ILE A 5 1.919 -6.221 7.690 1.00 0.19 H new ATOM 94 N GLU A 6 6.393 -5.545 8.288 1.00 0.11 N ATOM 95 CA GLU A 6 7.852 -5.290 8.402 1.00 0.13 C ATOM 96 C GLU A 6 8.636 -6.387 7.688 1.00 0.12 C ATOM 97 O GLU A 6 9.847 -6.342 7.626 1.00 0.13 O ATOM 98 CB GLU A 6 8.254 -5.280 9.876 1.00 0.15 C ATOM 99 CG GLU A 6 7.485 -4.184 10.621 1.00 0.17 C ATOM 100 CD GLU A 6 6.079 -4.674 10.986 1.00 1.45 C ATOM 101 OE1 GLU A 6 5.784 -5.828 10.725 1.00 2.25 O ATOM 102 OE2 GLU A 6 5.322 -3.885 11.530 1.00 2.25 O ATOM 0 H GLU A 6 6.003 -6.170 8.993 1.00 0.11 H new ATOM 0 HA GLU A 6 8.076 -4.326 7.944 1.00 0.13 H new ATOM 0 HB2 GLU A 6 8.046 -6.251 10.325 1.00 0.15 H new ATOM 0 HB3 GLU A 6 9.327 -5.110 9.968 1.00 0.15 H new ATOM 0 HG2 GLU A 6 8.025 -3.902 11.525 1.00 0.17 H new ATOM 0 HG3 GLU A 6 7.416 -3.292 9.999 1.00 0.17 H new ATOM 109 N SER A 7 7.976 -7.373 7.137 1.00 0.12 N ATOM 110 CA SER A 7 8.735 -8.451 6.435 1.00 0.13 C ATOM 111 C SER A 7 7.889 -9.080 5.335 1.00 0.12 C ATOM 112 O SER A 7 6.675 -9.103 5.400 1.00 0.12 O ATOM 113 CB SER A 7 9.112 -9.534 7.443 1.00 0.15 C ATOM 114 OG SER A 7 7.926 -10.072 8.012 1.00 0.15 O ATOM 0 H SER A 7 6.961 -7.478 7.142 1.00 0.12 H new ATOM 0 HA SER A 7 9.628 -8.013 5.989 1.00 0.13 H new ATOM 0 HB2 SER A 7 9.685 -10.321 6.953 1.00 0.15 H new ATOM 0 HB3 SER A 7 9.748 -9.116 8.224 1.00 0.15 H new ATOM 0 HG SER A 7 8.161 -10.769 8.659 1.00 0.15 H new ATOM 120 N LYS A 8 8.530 -9.624 4.341 1.00 0.14 N ATOM 121 CA LYS A 8 7.784 -10.290 3.247 1.00 0.15 C ATOM 122 C LYS A 8 7.038 -11.480 3.834 1.00 0.15 C ATOM 123 O LYS A 8 5.965 -11.837 3.394 1.00 0.16 O ATOM 124 CB LYS A 8 8.761 -10.763 2.173 1.00 0.18 C ATOM 125 CG LYS A 8 7.982 -11.222 0.941 1.00 0.21 C ATOM 126 CD LYS A 8 8.952 -11.771 -0.115 1.00 0.43 C ATOM 127 CE LYS A 8 9.688 -13.009 0.428 1.00 0.80 C ATOM 128 NZ LYS A 8 10.028 -13.922 -0.701 1.00 1.65 N ATOM 0 H LYS A 8 9.545 -9.635 4.241 1.00 0.14 H new ATOM 0 HA LYS A 8 7.078 -9.595 2.792 1.00 0.15 H new ATOM 0 HB2 LYS A 8 9.442 -9.955 1.905 1.00 0.18 H new ATOM 0 HB3 LYS A 8 9.371 -11.581 2.556 1.00 0.18 H new ATOM 0 HG2 LYS A 8 7.262 -11.991 1.221 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.414 -10.389 0.528 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.404 -12.033 -1.020 1.00 0.43 H new ATOM 0 HD3 LYS A 8 9.674 -11.002 -0.390 1.00 0.43 H new ATOM 0 HE2 LYS A 8 10.596 -12.706 0.950 1.00 0.80 H new ATOM 0 HE3 LYS A 8 9.062 -13.528 1.153 1.00 0.80 H new ATOM 0 HZ1 LYS A 8 10.525 -14.758 -0.334 1.00 1.65 H new ATOM 0 HZ2 LYS A 8 9.155 -14.221 -1.180 1.00 1.65 H new ATOM 0 HZ3 LYS A 8 10.641 -13.424 -1.377 1.00 1.65 H new ATOM 142 N THR A 9 7.598 -12.098 4.835 1.00 0.15 N ATOM 143 CA THR A 9 6.914 -13.264 5.441 1.00 0.17 C ATOM 144 C THR A 9 5.533 -12.824 5.923 1.00 0.16 C ATOM 145 O THR A 9 4.540 -13.475 5.672 1.00 0.17 O ATOM 146 CB THR A 9 7.720 -13.771 6.636 1.00 0.19 C ATOM 147 OG1 THR A 9 9.060 -14.013 6.238 1.00 0.22 O ATOM 148 CG2 THR A 9 7.098 -15.067 7.149 1.00 0.23 C ATOM 0 H THR A 9 8.493 -11.846 5.255 1.00 0.15 H new ATOM 0 HA THR A 9 6.823 -14.061 4.703 1.00 0.17 H new ATOM 0 HB THR A 9 7.710 -13.022 7.427 1.00 0.19 H new ATOM 0 HG1 THR A 9 9.576 -14.336 7.006 1.00 0.22 H new ATOM 0 HG21 THR A 9 7.670 -15.432 8.002 1.00 0.23 H new ATOM 0 HG22 THR A 9 6.069 -14.880 7.456 1.00 0.23 H new ATOM 0 HG23 THR A 9 7.110 -15.815 6.356 1.00 0.23 H new ATOM 156 N ALA A 10 5.464 -11.714 6.606 1.00 0.15 N ATOM 157 CA ALA A 10 4.144 -11.219 7.089 1.00 0.15 C ATOM 158 C ALA A 10 3.315 -10.766 5.891 1.00 0.14 C ATOM 159 O ALA A 10 2.102 -10.829 5.904 1.00 0.15 O ATOM 160 CB ALA A 10 4.343 -10.051 8.060 1.00 0.17 C ATOM 0 H ALA A 10 6.263 -11.129 6.850 1.00 0.15 H new ATOM 0 HA ALA A 10 3.623 -12.021 7.613 1.00 0.15 H new ATOM 0 HB1 ALA A 10 3.372 -9.697 8.407 1.00 0.17 H new ATOM 0 HB2 ALA A 10 4.934 -10.384 8.913 1.00 0.17 H new ATOM 0 HB3 ALA A 10 4.865 -9.240 7.552 1.00 0.17 H new ATOM 166 N PHE A 11 3.958 -10.312 4.850 1.00 0.14 N ATOM 167 CA PHE A 11 3.198 -9.855 3.655 1.00 0.13 C ATOM 168 C PHE A 11 2.378 -11.025 3.128 1.00 0.14 C ATOM 169 O PHE A 11 1.216 -10.894 2.793 1.00 0.14 O ATOM 170 CB PHE A 11 4.196 -9.425 2.573 1.00 0.14 C ATOM 171 CG PHE A 11 3.473 -8.763 1.424 1.00 0.14 C ATOM 172 CD1 PHE A 11 2.833 -7.532 1.614 1.00 0.14 C ATOM 173 CD2 PHE A 11 3.459 -9.372 0.157 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.176 -6.913 0.544 1.00 0.14 C ATOM 175 CE2 PHE A 11 2.802 -8.753 -0.909 1.00 0.14 C ATOM 176 CZ PHE A 11 2.159 -7.525 -0.717 1.00 0.14 C ATOM 0 H PHE A 11 4.973 -10.238 4.776 1.00 0.14 H new ATOM 0 HA PHE A 11 2.545 -9.022 3.916 1.00 0.13 H new ATOM 0 HB2 PHE A 11 4.927 -8.736 2.996 1.00 0.14 H new ATOM 0 HB3 PHE A 11 4.748 -10.293 2.212 1.00 0.14 H new ATOM 0 HD1 PHE A 11 2.846 -7.060 2.586 1.00 0.14 H new ATOM 0 HD2 PHE A 11 3.956 -10.319 0.008 1.00 0.14 H new ATOM 0 HE1 PHE A 11 1.682 -5.964 0.690 1.00 0.14 H new ATOM 0 HE2 PHE A 11 2.790 -9.222 -1.882 1.00 0.14 H new ATOM 0 HZ PHE A 11 1.649 -7.048 -1.541 1.00 0.14 H new ATOM 186 N GLN A 12 2.985 -12.173 3.063 1.00 0.14 N ATOM 187 CA GLN A 12 2.265 -13.374 2.564 1.00 0.16 C ATOM 188 C GLN A 12 1.120 -13.705 3.526 1.00 0.15 C ATOM 189 O GLN A 12 0.014 -14.001 3.119 1.00 0.16 O ATOM 190 CB GLN A 12 3.241 -14.553 2.544 1.00 0.18 C ATOM 191 CG GLN A 12 4.383 -14.278 1.561 1.00 0.17 C ATOM 192 CD GLN A 12 3.822 -14.149 0.146 1.00 0.40 C ATOM 193 OE1 GLN A 12 3.222 -15.070 -0.370 1.00 1.12 O ATOM 194 NE2 GLN A 12 3.993 -13.036 -0.504 1.00 1.31 N ATOM 0 H GLN A 12 3.955 -12.333 3.336 1.00 0.14 H new ATOM 0 HA GLN A 12 1.872 -13.186 1.565 1.00 0.16 H new ATOM 0 HB2 GLN A 12 3.644 -14.718 3.543 1.00 0.18 H new ATOM 0 HB3 GLN A 12 2.716 -15.464 2.257 1.00 0.18 H new ATOM 0 HG2 GLN A 12 4.905 -13.363 1.841 1.00 0.17 H new ATOM 0 HG3 GLN A 12 5.113 -15.086 1.601 1.00 0.17 H new ATOM 0 HE21 GLN A 12 4.497 -12.264 -0.069 1.00 1.31 H new ATOM 0 HE22 GLN A 12 3.623 -12.935 -1.449 1.00 1.31 H new ATOM 203 N GLU A 13 1.390 -13.646 4.804 1.00 0.16 N ATOM 204 CA GLU A 13 0.341 -13.947 5.823 1.00 0.17 C ATOM 205 C GLU A 13 -0.775 -12.914 5.736 1.00 0.15 C ATOM 206 O GLU A 13 -1.935 -13.217 5.937 1.00 0.16 O ATOM 207 CB GLU A 13 0.974 -13.907 7.221 1.00 0.19 C ATOM 208 CG GLU A 13 1.981 -15.053 7.380 1.00 0.28 C ATOM 209 CD GLU A 13 1.258 -16.399 7.299 1.00 0.95 C ATOM 210 OE1 GLU A 13 0.062 -16.424 7.542 1.00 1.77 O ATOM 211 OE2 GLU A 13 1.914 -17.384 6.999 1.00 1.67 O ATOM 0 H GLU A 13 2.302 -13.400 5.189 1.00 0.16 H new ATOM 0 HA GLU A 13 -0.076 -14.936 5.636 1.00 0.17 H new ATOM 0 HB2 GLU A 13 1.473 -12.950 7.375 1.00 0.19 H new ATOM 0 HB3 GLU A 13 0.198 -13.987 7.982 1.00 0.19 H new ATOM 0 HG2 GLU A 13 2.741 -14.991 6.601 1.00 0.28 H new ATOM 0 HG3 GLU A 13 2.497 -14.965 8.336 1.00 0.28 H new ATOM 218 N ALA A 14 -0.436 -11.690 5.451 1.00 0.15 N ATOM 219 CA ALA A 14 -1.482 -10.645 5.361 1.00 0.14 C ATOM 220 C ALA A 14 -2.360 -10.923 4.145 1.00 0.13 C ATOM 221 O ALA A 14 -3.566 -10.793 4.197 1.00 0.13 O ATOM 222 CB ALA A 14 -0.826 -9.272 5.222 1.00 0.15 C ATOM 0 H ALA A 14 0.517 -11.371 5.278 1.00 0.15 H new ATOM 0 HA ALA A 14 -2.093 -10.657 6.264 1.00 0.14 H new ATOM 0 HB1 ALA A 14 -1.598 -8.505 5.156 1.00 0.15 H new ATOM 0 HB2 ALA A 14 -0.197 -9.080 6.091 1.00 0.15 H new ATOM 0 HB3 ALA A 14 -0.215 -9.250 4.320 1.00 0.15 H new ATOM 228 N LEU A 15 -1.769 -11.302 3.048 1.00 0.12 N ATOM 229 CA LEU A 15 -2.590 -11.578 1.845 1.00 0.12 C ATOM 230 C LEU A 15 -3.552 -12.712 2.162 1.00 0.13 C ATOM 231 O LEU A 15 -4.705 -12.688 1.785 1.00 0.13 O ATOM 232 CB LEU A 15 -1.673 -11.988 0.690 1.00 0.13 C ATOM 233 CG LEU A 15 -0.833 -10.782 0.253 1.00 0.13 C ATOM 234 CD1 LEU A 15 0.303 -11.255 -0.654 1.00 0.17 C ATOM 235 CD2 LEU A 15 -1.701 -9.754 -0.503 1.00 0.17 C ATOM 0 H LEU A 15 -0.764 -11.431 2.935 1.00 0.12 H new ATOM 0 HA LEU A 15 -3.150 -10.687 1.559 1.00 0.12 H new ATOM 0 HB2 LEU A 15 -1.022 -12.805 1.001 1.00 0.13 H new ATOM 0 HB3 LEU A 15 -2.267 -12.354 -0.148 1.00 0.13 H new ATOM 0 HG LEU A 15 -0.424 -10.303 1.143 1.00 0.13 H new ATOM 0 HD11 LEU A 15 0.901 -10.398 -0.965 1.00 0.17 H new ATOM 0 HD12 LEU A 15 0.933 -11.959 -0.111 1.00 0.17 H new ATOM 0 HD13 LEU A 15 -0.114 -11.745 -1.534 1.00 0.17 H new ATOM 0 HD21 LEU A 15 -1.084 -8.907 -0.803 1.00 0.17 H new ATOM 0 HD22 LEU A 15 -2.131 -10.222 -1.389 1.00 0.17 H new ATOM 0 HD23 LEU A 15 -2.503 -9.406 0.148 1.00 0.17 H new ATOM 247 N ASP A 16 -3.085 -13.712 2.857 1.00 0.13 N ATOM 248 CA ASP A 16 -3.972 -14.853 3.203 1.00 0.15 C ATOM 249 C ASP A 16 -5.032 -14.420 4.224 1.00 0.15 C ATOM 250 O ASP A 16 -6.171 -14.840 4.167 1.00 0.16 O ATOM 251 CB ASP A 16 -3.141 -15.997 3.782 1.00 0.17 C ATOM 252 CG ASP A 16 -4.018 -17.246 3.894 1.00 0.19 C ATOM 253 OD1 ASP A 16 -5.196 -17.146 3.597 1.00 1.07 O ATOM 254 OD2 ASP A 16 -3.495 -18.280 4.275 1.00 1.07 O ATOM 0 H ASP A 16 -2.127 -13.787 3.199 1.00 0.13 H new ATOM 0 HA ASP A 16 -4.475 -15.190 2.296 1.00 0.15 H new ATOM 0 HB2 ASP A 16 -2.281 -16.198 3.143 1.00 0.17 H new ATOM 0 HB3 ASP A 16 -2.753 -15.721 4.762 1.00 0.17 H new ATOM 259 N ALA A 17 -4.657 -13.605 5.173 1.00 0.15 N ATOM 260 CA ALA A 17 -5.631 -13.163 6.219 1.00 0.16 C ATOM 261 C ALA A 17 -6.731 -12.302 5.594 1.00 0.15 C ATOM 262 O ALA A 17 -7.872 -12.344 6.006 1.00 0.17 O ATOM 263 CB ALA A 17 -4.892 -12.345 7.283 1.00 0.18 C ATOM 0 H ALA A 17 -3.716 -13.224 5.271 1.00 0.15 H new ATOM 0 HA ALA A 17 -6.087 -14.043 6.673 1.00 0.16 H new ATOM 0 HB1 ALA A 17 -5.598 -12.021 8.048 1.00 0.18 H new ATOM 0 HB2 ALA A 17 -4.117 -12.960 7.742 1.00 0.18 H new ATOM 0 HB3 ALA A 17 -4.434 -11.472 6.818 1.00 0.18 H new ATOM 269 N ALA A 18 -6.398 -11.515 4.613 1.00 0.14 N ATOM 270 CA ALA A 18 -7.429 -10.644 3.969 1.00 0.15 C ATOM 271 C ALA A 18 -8.502 -11.504 3.291 1.00 0.14 C ATOM 272 O ALA A 18 -9.639 -11.096 3.159 1.00 0.17 O ATOM 273 CB ALA A 18 -6.758 -9.764 2.919 1.00 0.15 C ATOM 0 H ALA A 18 -5.458 -11.434 4.226 1.00 0.14 H new ATOM 0 HA ALA A 18 -7.898 -10.025 4.734 1.00 0.15 H new ATOM 0 HB1 ALA A 18 -7.506 -9.127 2.446 1.00 0.15 H new ATOM 0 HB2 ALA A 18 -6.000 -9.142 3.396 1.00 0.15 H new ATOM 0 HB3 ALA A 18 -6.288 -10.393 2.163 1.00 0.15 H new ATOM 279 N GLY A 19 -8.153 -12.684 2.852 1.00 0.16 N ATOM 280 CA GLY A 19 -9.156 -13.561 2.179 1.00 0.20 C ATOM 281 C GLY A 19 -9.581 -12.943 0.841 1.00 0.16 C ATOM 282 O GLY A 19 -8.758 -12.567 0.031 1.00 0.17 O ATOM 0 H GLY A 19 -7.216 -13.079 2.930 1.00 0.16 H new ATOM 0 HA2 GLY A 19 -8.732 -14.551 2.013 1.00 0.20 H new ATOM 0 HA3 GLY A 19 -10.027 -13.691 2.822 1.00 0.20 H new ATOM 286 N ASP A 20 -10.864 -12.851 0.595 1.00 0.15 N ATOM 287 CA ASP A 20 -11.350 -12.277 -0.697 1.00 0.14 C ATOM 288 C ASP A 20 -11.545 -10.757 -0.577 1.00 0.12 C ATOM 289 O ASP A 20 -11.978 -10.108 -1.510 1.00 0.13 O ATOM 290 CB ASP A 20 -12.680 -12.940 -1.073 1.00 0.15 C ATOM 291 CG ASP A 20 -12.470 -14.448 -1.267 1.00 0.18 C ATOM 292 OD1 ASP A 20 -11.359 -14.904 -1.051 1.00 1.07 O ATOM 293 OD2 ASP A 20 -13.425 -15.118 -1.632 1.00 1.07 O ATOM 0 H ASP A 20 -11.599 -13.150 1.236 1.00 0.15 H new ATOM 0 HA ASP A 20 -10.607 -12.468 -1.471 1.00 0.14 H new ATOM 0 HB2 ASP A 20 -13.419 -12.764 -0.291 1.00 0.15 H new ATOM 0 HB3 ASP A 20 -13.072 -12.497 -1.988 1.00 0.15 H new ATOM 298 N LYS A 21 -11.232 -10.181 0.553 1.00 0.12 N ATOM 299 CA LYS A 21 -11.408 -8.704 0.713 1.00 0.12 C ATOM 300 C LYS A 21 -10.276 -7.975 -0.009 1.00 0.10 C ATOM 301 O LYS A 21 -9.178 -8.481 -0.121 1.00 0.11 O ATOM 302 CB LYS A 21 -11.345 -8.336 2.193 1.00 0.15 C ATOM 303 CG LYS A 21 -12.506 -8.997 2.936 1.00 0.21 C ATOM 304 CD LYS A 21 -12.639 -8.405 4.346 1.00 0.31 C ATOM 305 CE LYS A 21 -11.523 -8.934 5.257 1.00 0.80 C ATOM 306 NZ LYS A 21 -11.572 -10.424 5.307 1.00 1.50 N ATOM 0 H LYS A 21 -10.863 -10.666 1.371 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.372 -8.416 0.295 1.00 0.12 H new ATOM 0 HB2 LYS A 21 -10.396 -8.661 2.619 1.00 0.15 H new ATOM 0 HB3 LYS A 21 -11.394 -7.254 2.311 1.00 0.15 H new ATOM 0 HG2 LYS A 21 -13.433 -8.848 2.382 1.00 0.21 H new ATOM 0 HG3 LYS A 21 -12.341 -10.073 2.999 1.00 0.21 H new ATOM 0 HD2 LYS A 21 -12.591 -7.317 4.296 1.00 0.31 H new ATOM 0 HD3 LYS A 21 -13.612 -8.663 4.765 1.00 0.31 H new ATOM 0 HE2 LYS A 21 -10.552 -8.606 4.886 1.00 0.80 H new ATOM 0 HE3 LYS A 21 -11.636 -8.524 6.261 1.00 0.80 H new ATOM 0 HZ1 LYS A 21 -11.268 -10.750 6.247 1.00 1.50 H new ATOM 0 HZ2 LYS A 21 -12.544 -10.746 5.127 1.00 1.50 H new ATOM 0 HZ3 LYS A 21 -10.938 -10.817 4.582 1.00 1.50 H new ATOM 320 N LEU A 22 -10.524 -6.787 -0.492 1.00 0.11 N ATOM 321 CA LEU A 22 -9.444 -6.045 -1.192 1.00 0.12 C ATOM 322 C LEU A 22 -8.232 -5.851 -0.280 1.00 0.12 C ATOM 323 O LEU A 22 -8.324 -5.892 0.930 1.00 0.14 O ATOM 324 CB LEU A 22 -9.981 -4.665 -1.636 1.00 0.15 C ATOM 325 CG LEU A 22 -10.590 -4.724 -3.040 1.00 0.29 C ATOM 326 CD1 LEU A 22 -11.126 -3.331 -3.381 1.00 0.31 C ATOM 327 CD2 LEU A 22 -9.496 -5.121 -4.061 1.00 0.47 C ATOM 0 H LEU A 22 -11.421 -6.304 -0.432 1.00 0.11 H new ATOM 0 HA LEU A 22 -9.130 -6.624 -2.061 1.00 0.12 H new ATOM 0 HB2 LEU A 22 -10.733 -4.321 -0.926 1.00 0.15 H new ATOM 0 HB3 LEU A 22 -9.171 -3.936 -1.620 1.00 0.15 H new ATOM 0 HG LEU A 22 -11.393 -5.460 -3.077 1.00 0.29 H new ATOM 0 HD11 LEU A 22 -11.566 -3.345 -4.378 1.00 0.31 H new ATOM 0 HD12 LEU A 22 -11.885 -3.045 -2.653 1.00 0.31 H new ATOM 0 HD13 LEU A 22 -10.309 -2.610 -3.355 1.00 0.31 H new ATOM 0 HD21 LEU A 22 -9.929 -5.163 -5.060 1.00 0.47 H new ATOM 0 HD22 LEU A 22 -8.696 -4.381 -4.043 1.00 0.47 H new ATOM 0 HD23 LEU A 22 -9.092 -6.099 -3.799 1.00 0.47 H new ATOM 339 N VAL A 23 -7.089 -5.615 -0.882 1.00 0.11 N ATOM 340 CA VAL A 23 -5.845 -5.392 -0.108 1.00 0.11 C ATOM 341 C VAL A 23 -4.973 -4.404 -0.872 1.00 0.11 C ATOM 342 O VAL A 23 -4.416 -4.722 -1.905 1.00 0.17 O ATOM 343 CB VAL A 23 -5.087 -6.714 0.061 1.00 0.11 C ATOM 344 CG1 VAL A 23 -3.851 -6.488 0.941 1.00 0.16 C ATOM 345 CG2 VAL A 23 -5.997 -7.741 0.730 1.00 0.12 C ATOM 0 H VAL A 23 -6.974 -5.569 -1.894 1.00 0.11 H new ATOM 0 HA VAL A 23 -6.091 -4.999 0.879 1.00 0.11 H new ATOM 0 HB VAL A 23 -4.778 -7.080 -0.918 1.00 0.11 H new ATOM 0 HG11 VAL A 23 -3.313 -7.428 1.061 1.00 0.16 H new ATOM 0 HG12 VAL A 23 -3.198 -5.754 0.470 1.00 0.16 H new ATOM 0 HG13 VAL A 23 -4.163 -6.121 1.919 1.00 0.16 H new ATOM 0 HG21 VAL A 23 -5.458 -8.681 0.850 1.00 0.12 H new ATOM 0 HG22 VAL A 23 -6.305 -7.372 1.708 1.00 0.12 H new ATOM 0 HG23 VAL A 23 -6.878 -7.905 0.110 1.00 0.12 H new ATOM 355 N VAL A 24 -4.847 -3.206 -0.373 1.00 0.09 N ATOM 356 CA VAL A 24 -4.001 -2.187 -1.056 1.00 0.09 C ATOM 357 C VAL A 24 -2.674 -2.119 -0.299 1.00 0.09 C ATOM 358 O VAL A 24 -2.642 -2.272 0.906 1.00 0.10 O ATOM 359 CB VAL A 24 -4.703 -0.820 -1.023 1.00 0.11 C ATOM 360 CG1 VAL A 24 -3.841 0.233 -1.733 1.00 0.12 C ATOM 361 CG2 VAL A 24 -6.055 -0.922 -1.734 1.00 0.14 C ATOM 0 H VAL A 24 -5.297 -2.887 0.485 1.00 0.09 H new ATOM 0 HA VAL A 24 -3.833 -2.455 -2.099 1.00 0.09 H new ATOM 0 HB VAL A 24 -4.851 -0.524 0.016 1.00 0.11 H new ATOM 0 HG11 VAL A 24 -4.348 1.198 -1.704 1.00 0.12 H new ATOM 0 HG12 VAL A 24 -2.877 0.314 -1.230 1.00 0.12 H new ATOM 0 HG13 VAL A 24 -3.685 -0.064 -2.770 1.00 0.12 H new ATOM 0 HG21 VAL A 24 -6.553 0.048 -1.710 1.00 0.14 H new ATOM 0 HG22 VAL A 24 -5.900 -1.225 -2.769 1.00 0.14 H new ATOM 0 HG23 VAL A 24 -6.677 -1.661 -1.229 1.00 0.14 H new ATOM 371 N VAL A 25 -1.577 -1.927 -0.991 1.00 0.09 N ATOM 372 CA VAL A 25 -0.246 -1.886 -0.302 1.00 0.09 C ATOM 373 C VAL A 25 0.481 -0.589 -0.641 1.00 0.10 C ATOM 374 O VAL A 25 0.727 -0.286 -1.788 1.00 0.11 O ATOM 375 CB VAL A 25 0.599 -3.069 -0.782 1.00 0.09 C ATOM 376 CG1 VAL A 25 1.882 -3.159 0.046 1.00 0.13 C ATOM 377 CG2 VAL A 25 -0.207 -4.363 -0.625 1.00 0.10 C ATOM 0 H VAL A 25 -1.544 -1.797 -2.002 1.00 0.09 H new ATOM 0 HA VAL A 25 -0.399 -1.941 0.776 1.00 0.09 H new ATOM 0 HB VAL A 25 0.861 -2.926 -1.830 1.00 0.09 H new ATOM 0 HG11 VAL A 25 2.480 -4.002 -0.300 1.00 0.13 H new ATOM 0 HG12 VAL A 25 2.454 -2.238 -0.068 1.00 0.13 H new ATOM 0 HG13 VAL A 25 1.628 -3.301 1.096 1.00 0.13 H new ATOM 0 HG21 VAL A 25 0.391 -5.208 -0.966 1.00 0.10 H new ATOM 0 HG22 VAL A 25 -0.469 -4.503 0.424 1.00 0.10 H new ATOM 0 HG23 VAL A 25 -1.117 -4.299 -1.221 1.00 0.10 H new ATOM 387 N ASP A 26 0.844 0.167 0.361 1.00 0.11 N ATOM 388 CA ASP A 26 1.580 1.448 0.124 1.00 0.12 C ATOM 389 C ASP A 26 3.083 1.206 0.326 1.00 0.14 C ATOM 390 O ASP A 26 3.509 0.755 1.367 1.00 0.20 O ATOM 391 CB ASP A 26 1.079 2.503 1.117 1.00 0.14 C ATOM 392 CG ASP A 26 1.770 3.839 0.845 1.00 0.16 C ATOM 393 OD1 ASP A 26 1.684 4.312 -0.277 1.00 1.04 O ATOM 394 OD2 ASP A 26 2.381 4.364 1.762 1.00 1.05 O ATOM 0 H ASP A 26 0.662 -0.048 1.341 1.00 0.11 H new ATOM 0 HA ASP A 26 1.407 1.801 -0.893 1.00 0.12 H new ATOM 0 HB2 ASP A 26 -0.001 2.617 1.027 1.00 0.14 H new ATOM 0 HB3 ASP A 26 1.281 2.180 2.138 1.00 0.14 H new ATOM 399 N PHE A 27 3.890 1.499 -0.662 1.00 0.13 N ATOM 400 CA PHE A 27 5.376 1.293 -0.537 1.00 0.13 C ATOM 401 C PHE A 27 6.051 2.621 -0.216 1.00 0.22 C ATOM 402 O PHE A 27 7.209 2.827 -0.515 1.00 0.73 O ATOM 403 CB PHE A 27 5.942 0.742 -1.852 1.00 0.11 C ATOM 404 CG PHE A 27 5.653 -0.734 -1.965 1.00 0.10 C ATOM 405 CD1 PHE A 27 6.514 -1.653 -1.351 1.00 0.11 C ATOM 406 CD2 PHE A 27 4.544 -1.185 -2.684 1.00 0.12 C ATOM 407 CE1 PHE A 27 6.265 -3.025 -1.458 1.00 0.14 C ATOM 408 CE2 PHE A 27 4.295 -2.559 -2.790 1.00 0.14 C ATOM 409 CZ PHE A 27 5.155 -3.479 -2.177 1.00 0.14 C ATOM 0 H PHE A 27 3.586 1.876 -1.560 1.00 0.13 H new ATOM 0 HA PHE A 27 5.568 0.580 0.265 1.00 0.13 H new ATOM 0 HB2 PHE A 27 5.501 1.272 -2.696 1.00 0.11 H new ATOM 0 HB3 PHE A 27 7.018 0.914 -1.894 1.00 0.11 H new ATOM 0 HD1 PHE A 27 7.370 -1.302 -0.795 1.00 0.11 H new ATOM 0 HD2 PHE A 27 3.880 -0.476 -3.157 1.00 0.12 H new ATOM 0 HE1 PHE A 27 6.930 -3.733 -0.986 1.00 0.14 H new ATOM 0 HE2 PHE A 27 3.438 -2.910 -3.346 1.00 0.14 H new ATOM 0 HZ PHE A 27 4.961 -4.538 -2.260 1.00 0.14 H new ATOM 419 N SER A 28 5.336 3.535 0.359 1.00 0.30 N ATOM 420 CA SER A 28 5.944 4.854 0.657 1.00 0.24 C ATOM 421 C SER A 28 7.161 4.689 1.558 1.00 0.24 C ATOM 422 O SER A 28 7.222 3.815 2.397 1.00 0.28 O ATOM 423 CB SER A 28 4.925 5.738 1.372 1.00 0.27 C ATOM 424 OG SER A 28 3.768 5.877 0.558 1.00 0.29 O ATOM 0 H SER A 28 4.360 3.429 0.636 1.00 0.30 H new ATOM 0 HA SER A 28 6.249 5.313 -0.284 1.00 0.24 H new ATOM 0 HB2 SER A 28 4.657 5.299 2.333 1.00 0.27 H new ATOM 0 HB3 SER A 28 5.358 6.717 1.579 1.00 0.27 H new ATOM 0 HG SER A 28 2.965 5.779 1.111 1.00 0.29 H new ATOM 430 N ALA A 29 8.125 5.553 1.393 1.00 0.20 N ATOM 431 CA ALA A 29 9.346 5.494 2.237 1.00 0.21 C ATOM 432 C ALA A 29 9.053 6.266 3.518 1.00 0.22 C ATOM 433 O ALA A 29 8.621 7.402 3.478 1.00 0.22 O ATOM 434 CB ALA A 29 10.517 6.148 1.483 1.00 0.19 C ATOM 0 H ALA A 29 8.116 6.303 0.702 1.00 0.20 H new ATOM 0 HA ALA A 29 9.615 4.463 2.468 1.00 0.21 H new ATOM 0 HB1 ALA A 29 11.415 6.107 2.099 1.00 0.19 H new ATOM 0 HB2 ALA A 29 10.693 5.613 0.550 1.00 0.19 H new ATOM 0 HB3 ALA A 29 10.274 7.188 1.265 1.00 0.19 H new ATOM 440 N THR A 30 9.267 5.676 4.655 1.00 0.23 N ATOM 441 CA THR A 30 8.974 6.415 5.907 1.00 0.24 C ATOM 442 C THR A 30 9.951 7.583 6.034 1.00 0.22 C ATOM 443 O THR A 30 9.627 8.618 6.580 1.00 0.22 O ATOM 444 CB THR A 30 9.110 5.476 7.114 1.00 0.28 C ATOM 445 OG1 THR A 30 8.837 6.203 8.304 1.00 0.30 O ATOM 446 CG2 THR A 30 10.524 4.890 7.181 1.00 0.29 C ATOM 0 H THR A 30 9.627 4.729 4.772 1.00 0.23 H new ATOM 0 HA THR A 30 7.953 6.796 5.879 1.00 0.24 H new ATOM 0 HB THR A 30 8.399 4.656 7.009 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.921 5.607 9.078 1.00 0.30 H new ATOM 0 HG21 THR A 30 10.603 4.227 8.042 1.00 0.29 H new ATOM 0 HG22 THR A 30 10.728 4.327 6.270 1.00 0.29 H new ATOM 0 HG23 THR A 30 11.249 5.698 7.278 1.00 0.29 H new ATOM 454 N TRP A 31 11.144 7.435 5.522 1.00 0.22 N ATOM 455 CA TRP A 31 12.138 8.550 5.620 1.00 0.21 C ATOM 456 C TRP A 31 11.836 9.664 4.612 1.00 0.19 C ATOM 457 O TRP A 31 12.342 10.762 4.732 1.00 0.22 O ATOM 458 CB TRP A 31 13.525 8.012 5.321 1.00 0.23 C ATOM 459 CG TRP A 31 13.555 7.458 3.932 1.00 0.22 C ATOM 460 CD1 TRP A 31 13.408 6.155 3.620 1.00 0.26 C ATOM 461 CD2 TRP A 31 13.721 8.162 2.664 1.00 0.21 C ATOM 462 NE1 TRP A 31 13.524 6.001 2.250 1.00 0.25 N ATOM 463 CE2 TRP A 31 13.704 7.211 1.617 1.00 0.21 C ATOM 464 CE3 TRP A 31 13.895 9.514 2.323 1.00 0.21 C ATOM 465 CZ2 TRP A 31 13.854 7.588 0.284 1.00 0.21 C ATOM 466 CZ3 TRP A 31 14.040 9.897 0.981 1.00 0.23 C ATOM 467 CH2 TRP A 31 14.020 8.936 -0.036 1.00 0.21 C ATOM 0 H TRP A 31 11.474 6.597 5.043 1.00 0.22 H new ATOM 0 HA TRP A 31 12.080 8.958 6.629 1.00 0.21 H new ATOM 0 HB2 TRP A 31 14.265 8.806 5.424 1.00 0.23 H new ATOM 0 HB3 TRP A 31 13.789 7.236 6.040 1.00 0.23 H new ATOM 0 HD1 TRP A 31 13.228 5.358 4.327 1.00 0.26 H new ATOM 0 HE1 TRP A 31 13.481 5.103 1.768 1.00 0.25 H new ATOM 0 HE3 TRP A 31 13.917 10.264 3.100 1.00 0.21 H new ATOM 0 HZ2 TRP A 31 13.842 6.842 -0.497 1.00 0.21 H new ATOM 0 HZ3 TRP A 31 14.168 10.940 0.731 1.00 0.23 H new ATOM 0 HH2 TRP A 31 14.133 9.237 -1.067 1.00 0.21 H new ATOM 478 N CYS A 32 11.030 9.408 3.616 1.00 0.18 N ATOM 479 CA CYS A 32 10.734 10.479 2.620 1.00 0.17 C ATOM 480 C CYS A 32 9.568 11.315 3.143 1.00 0.17 C ATOM 481 O CYS A 32 8.460 10.836 3.292 1.00 0.20 O ATOM 482 CB CYS A 32 10.387 9.831 1.267 1.00 0.18 C ATOM 483 SG CYS A 32 10.437 11.087 -0.048 1.00 0.26 S ATOM 0 H CYS A 32 10.568 8.514 3.450 1.00 0.18 H new ATOM 0 HA CYS A 32 11.599 11.126 2.476 1.00 0.17 H new ATOM 0 HB2 CYS A 32 11.093 9.030 1.045 1.00 0.18 H new ATOM 0 HB3 CYS A 32 9.396 9.379 1.313 1.00 0.18 H new ATOM 488 N GLY A 33 9.818 12.561 3.453 1.00 0.20 N ATOM 489 CA GLY A 33 8.738 13.432 3.999 1.00 0.23 C ATOM 490 C GLY A 33 7.573 13.558 3.010 1.00 0.21 C ATOM 491 O GLY A 33 6.434 13.352 3.377 1.00 0.22 O ATOM 0 H GLY A 33 10.727 13.013 3.351 1.00 0.20 H new ATOM 0 HA2 GLY A 33 8.376 13.019 4.941 1.00 0.23 H new ATOM 0 HA3 GLY A 33 9.141 14.421 4.218 1.00 0.23 H new ATOM 495 N PRO A 34 7.827 13.901 1.770 1.00 0.21 N ATOM 496 CA PRO A 34 6.721 14.038 0.781 1.00 0.22 C ATOM 497 C PRO A 34 5.797 12.810 0.762 1.00 0.22 C ATOM 498 O PRO A 34 4.595 12.926 0.620 1.00 0.24 O ATOM 499 CB PRO A 34 7.496 14.173 -0.540 1.00 0.29 C ATOM 500 CG PRO A 34 8.927 14.615 -0.192 1.00 0.31 C ATOM 501 CD PRO A 34 9.202 14.191 1.262 1.00 0.24 C ATOM 0 HA PRO A 34 6.052 14.871 0.997 1.00 0.22 H new ATOM 0 HB2 PRO A 34 7.507 13.224 -1.077 1.00 0.29 H new ATOM 0 HB3 PRO A 34 7.017 14.903 -1.193 1.00 0.29 H new ATOM 0 HG2 PRO A 34 9.646 14.153 -0.869 1.00 0.31 H new ATOM 0 HG3 PRO A 34 9.033 15.694 -0.303 1.00 0.31 H new ATOM 0 HD2 PRO A 34 9.849 13.316 1.316 1.00 0.24 H new ATOM 0 HD3 PRO A 34 9.688 14.982 1.832 1.00 0.24 H new ATOM 509 N ALA A 35 6.351 11.639 0.913 1.00 0.21 N ATOM 510 CA ALA A 35 5.508 10.410 0.908 1.00 0.23 C ATOM 511 C ALA A 35 4.812 10.267 2.265 1.00 0.23 C ATOM 512 O ALA A 35 3.635 9.982 2.344 1.00 0.22 O ATOM 513 CB ALA A 35 6.403 9.190 0.633 1.00 0.24 C ATOM 0 H ALA A 35 7.350 11.480 1.040 1.00 0.21 H new ATOM 0 HA ALA A 35 4.748 10.478 0.129 1.00 0.23 H new ATOM 0 HB1 ALA A 35 5.794 8.286 0.628 1.00 0.24 H new ATOM 0 HB2 ALA A 35 6.889 9.306 -0.336 1.00 0.24 H new ATOM 0 HB3 ALA A 35 7.161 9.112 1.412 1.00 0.24 H new ATOM 519 N LYS A 36 5.531 10.480 3.330 1.00 0.25 N ATOM 520 CA LYS A 36 4.910 10.371 4.677 1.00 0.27 C ATOM 521 C LYS A 36 3.770 11.382 4.769 1.00 0.26 C ATOM 522 O LYS A 36 2.774 11.160 5.426 1.00 0.27 O ATOM 523 CB LYS A 36 5.953 10.675 5.753 1.00 0.33 C ATOM 524 CG LYS A 36 5.359 10.372 7.128 1.00 0.37 C ATOM 525 CD LYS A 36 6.331 10.817 8.217 1.00 0.44 C ATOM 526 CE LYS A 36 5.782 10.409 9.584 1.00 0.89 C ATOM 527 NZ LYS A 36 6.776 10.754 10.638 1.00 1.59 N ATOM 0 H LYS A 36 6.521 10.725 3.326 1.00 0.25 H new ATOM 0 HA LYS A 36 4.529 9.361 4.830 1.00 0.27 H new ATOM 0 HB2 LYS A 36 6.848 10.074 5.590 1.00 0.33 H new ATOM 0 HB3 LYS A 36 6.257 11.720 5.697 1.00 0.33 H new ATOM 0 HG2 LYS A 36 4.406 10.888 7.245 1.00 0.37 H new ATOM 0 HG3 LYS A 36 5.157 9.305 7.221 1.00 0.37 H new ATOM 0 HD2 LYS A 36 7.309 10.363 8.055 1.00 0.44 H new ATOM 0 HD3 LYS A 36 6.470 11.897 8.176 1.00 0.44 H new ATOM 0 HE2 LYS A 36 4.839 10.920 9.777 1.00 0.89 H new ATOM 0 HE3 LYS A 36 5.574 9.339 9.600 1.00 0.89 H new ATOM 0 HZ1 LYS A 36 6.405 10.477 11.569 1.00 1.59 H new ATOM 0 HZ2 LYS A 36 7.666 10.247 10.455 1.00 1.59 H new ATOM 0 HZ3 LYS A 36 6.953 11.779 10.626 1.00 1.59 H new ATOM 541 N MET A 37 3.912 12.491 4.097 1.00 0.28 N ATOM 542 CA MET A 37 2.854 13.540 4.127 1.00 0.30 C ATOM 543 C MET A 37 1.542 12.968 3.588 1.00 0.25 C ATOM 544 O MET A 37 0.479 13.408 3.959 1.00 0.25 O ATOM 545 CB MET A 37 3.283 14.722 3.259 1.00 0.38 C ATOM 546 CG MET A 37 2.321 15.891 3.477 1.00 0.44 C ATOM 547 SD MET A 37 2.739 17.238 2.343 1.00 1.54 S ATOM 548 CE MET A 37 1.624 18.481 3.043 1.00 2.10 C ATOM 0 H MET A 37 4.724 12.717 3.523 1.00 0.28 H new ATOM 0 HA MET A 37 2.709 13.873 5.155 1.00 0.30 H new ATOM 0 HB2 MET A 37 4.300 15.022 3.512 1.00 0.38 H new ATOM 0 HB3 MET A 37 3.288 14.432 2.208 1.00 0.38 H new ATOM 0 HG2 MET A 37 1.294 15.566 3.310 1.00 0.44 H new ATOM 0 HG3 MET A 37 2.382 16.238 4.509 1.00 0.44 H new ATOM 0 HE1 MET A 37 1.720 19.412 2.484 1.00 2.10 H new ATOM 0 HE2 MET A 37 0.596 18.124 2.980 1.00 2.10 H new ATOM 0 HE3 MET A 37 1.884 18.656 4.087 1.00 2.10 H new ATOM 558 N ILE A 38 1.613 12.011 2.701 1.00 0.23 N ATOM 559 CA ILE A 38 0.369 11.410 2.121 1.00 0.25 C ATOM 560 C ILE A 38 -0.202 10.326 3.054 1.00 0.26 C ATOM 561 O ILE A 38 -1.229 9.743 2.767 1.00 0.31 O ATOM 562 CB ILE A 38 0.658 10.776 0.745 1.00 0.33 C ATOM 563 CG1 ILE A 38 1.603 11.678 -0.060 1.00 0.34 C ATOM 564 CG2 ILE A 38 -0.659 10.601 -0.029 1.00 0.35 C ATOM 565 CD1 ILE A 38 1.980 10.988 -1.375 1.00 0.49 C ATOM 0 H ILE A 38 2.485 11.615 2.349 1.00 0.23 H new ATOM 0 HA ILE A 38 -0.359 12.213 2.008 1.00 0.25 H new ATOM 0 HB ILE A 38 1.128 9.804 0.894 1.00 0.33 H new ATOM 0 HG12 ILE A 38 1.122 12.634 -0.265 1.00 0.34 H new ATOM 0 HG13 ILE A 38 2.501 11.891 0.521 1.00 0.34 H new ATOM 0 HG21 ILE A 38 -0.453 10.153 -1.001 1.00 0.35 H new ATOM 0 HG22 ILE A 38 -1.329 9.952 0.535 1.00 0.35 H new ATOM 0 HG23 ILE A 38 -1.130 11.574 -0.170 1.00 0.35 H new ATOM 0 HD11 ILE A 38 2.651 11.631 -1.944 1.00 0.49 H new ATOM 0 HD12 ILE A 38 2.479 10.043 -1.160 1.00 0.49 H new ATOM 0 HD13 ILE A 38 1.079 10.798 -1.958 1.00 0.49 H new ATOM 577 N LYS A 39 0.456 9.988 4.136 1.00 0.27 N ATOM 578 CA LYS A 39 -0.102 8.884 4.974 1.00 0.34 C ATOM 579 C LYS A 39 -1.509 9.199 5.536 1.00 0.30 C ATOM 580 O LYS A 39 -2.275 8.285 5.731 1.00 0.33 O ATOM 581 CB LYS A 39 0.859 8.448 6.116 1.00 0.46 C ATOM 582 CG LYS A 39 0.824 9.390 7.341 1.00 0.50 C ATOM 583 CD LYS A 39 1.394 8.664 8.576 1.00 0.65 C ATOM 584 CE LYS A 39 0.492 7.487 9.000 1.00 0.80 C ATOM 585 NZ LYS A 39 1.034 6.220 8.430 1.00 0.75 N ATOM 0 H LYS A 39 1.324 10.411 4.466 1.00 0.27 H new ATOM 0 HA LYS A 39 -0.207 8.041 4.291 1.00 0.34 H new ATOM 0 HB2 LYS A 39 0.598 7.439 6.435 1.00 0.46 H new ATOM 0 HB3 LYS A 39 1.877 8.406 5.728 1.00 0.46 H new ATOM 0 HG2 LYS A 39 1.405 10.289 7.136 1.00 0.50 H new ATOM 0 HG3 LYS A 39 -0.200 9.710 7.536 1.00 0.50 H new ATOM 0 HD2 LYS A 39 2.396 8.296 8.354 1.00 0.65 H new ATOM 0 HD3 LYS A 39 1.489 9.368 9.403 1.00 0.65 H new ATOM 0 HE2 LYS A 39 0.448 7.421 10.087 1.00 0.80 H new ATOM 0 HE3 LYS A 39 -0.527 7.650 8.649 1.00 0.80 H new ATOM 0 HZ1 LYS A 39 0.298 5.751 7.864 1.00 0.75 H new ATOM 0 HZ2 LYS A 39 1.853 6.434 7.825 1.00 0.75 H new ATOM 0 HZ3 LYS A 39 1.329 5.590 9.203 1.00 0.75 H new ATOM 599 N PRO A 40 -1.873 10.434 5.848 1.00 0.26 N ATOM 600 CA PRO A 40 -3.228 10.679 6.424 1.00 0.25 C ATOM 601 C PRO A 40 -4.341 10.206 5.492 1.00 0.20 C ATOM 602 O PRO A 40 -5.345 9.711 5.933 1.00 0.21 O ATOM 603 CB PRO A 40 -3.242 12.207 6.587 1.00 0.26 C ATOM 604 CG PRO A 40 -1.788 12.672 6.536 1.00 0.28 C ATOM 605 CD PRO A 40 -1.039 11.655 5.666 1.00 0.27 C ATOM 0 HA PRO A 40 -3.405 10.136 7.353 1.00 0.25 H new ATOM 0 HB2 PRO A 40 -3.825 12.675 5.794 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -3.705 12.490 7.532 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -1.715 13.674 6.113 1.00 0.28 H new ATOM 0 HG3 PRO A 40 -1.359 12.717 7.537 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.990 11.966 4.622 1.00 0.27 H new ATOM 0 HD3 PRO A 40 -0.013 11.505 6.002 1.00 0.27 H new ATOM 613 N PHE A 41 -4.176 10.351 4.204 1.00 0.16 N ATOM 614 CA PHE A 41 -5.250 9.893 3.280 1.00 0.13 C ATOM 615 C PHE A 41 -5.261 8.363 3.248 1.00 0.13 C ATOM 616 O PHE A 41 -6.272 7.729 3.467 1.00 0.15 O ATOM 617 CB PHE A 41 -4.964 10.405 1.871 1.00 0.14 C ATOM 618 CG PHE A 41 -5.152 11.898 1.811 1.00 0.18 C ATOM 619 CD1 PHE A 41 -4.172 12.745 2.338 1.00 0.25 C ATOM 620 CD2 PHE A 41 -6.303 12.433 1.225 1.00 0.22 C ATOM 621 CE1 PHE A 41 -4.342 14.131 2.278 1.00 0.34 C ATOM 622 CE2 PHE A 41 -6.475 13.820 1.162 1.00 0.31 C ATOM 623 CZ PHE A 41 -5.494 14.671 1.689 1.00 0.37 C ATOM 0 H PHE A 41 -3.355 10.761 3.758 1.00 0.16 H new ATOM 0 HA PHE A 41 -6.211 10.273 3.625 1.00 0.13 H new ATOM 0 HB2 PHE A 41 -3.945 10.148 1.583 1.00 0.14 H new ATOM 0 HB3 PHE A 41 -5.629 9.919 1.158 1.00 0.14 H new ATOM 0 HD1 PHE A 41 -3.284 12.328 2.791 1.00 0.25 H new ATOM 0 HD2 PHE A 41 -7.059 11.776 0.821 1.00 0.22 H new ATOM 0 HE1 PHE A 41 -3.586 14.786 2.685 1.00 0.34 H new ATOM 0 HE2 PHE A 41 -7.363 14.235 0.708 1.00 0.31 H new ATOM 0 HZ PHE A 41 -5.625 15.742 1.641 1.00 0.37 H new ATOM 633 N PHE A 42 -4.125 7.767 3.006 1.00 0.12 N ATOM 634 CA PHE A 42 -4.049 6.275 2.974 1.00 0.13 C ATOM 635 C PHE A 42 -4.491 5.733 4.328 1.00 0.14 C ATOM 636 O PHE A 42 -5.297 4.832 4.431 1.00 0.16 O ATOM 637 CB PHE A 42 -2.590 5.877 2.687 1.00 0.13 C ATOM 638 CG PHE A 42 -2.447 4.368 2.620 1.00 0.12 C ATOM 639 CD1 PHE A 42 -2.822 3.679 1.460 1.00 0.12 C ATOM 640 CD2 PHE A 42 -1.943 3.658 3.722 1.00 0.12 C ATOM 641 CE1 PHE A 42 -2.697 2.284 1.399 1.00 0.13 C ATOM 642 CE2 PHE A 42 -1.816 2.260 3.659 1.00 0.13 C ATOM 643 CZ PHE A 42 -2.194 1.573 2.496 1.00 0.13 C ATOM 0 H PHE A 42 -3.244 8.249 2.828 1.00 0.12 H new ATOM 0 HA PHE A 42 -4.698 5.864 2.201 1.00 0.13 H new ATOM 0 HB2 PHE A 42 -2.266 6.320 1.745 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -1.940 6.274 3.466 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -3.208 4.223 0.611 1.00 0.12 H new ATOM 0 HD2 PHE A 42 -1.653 4.187 4.618 1.00 0.12 H new ATOM 0 HE1 PHE A 42 -2.989 1.756 0.503 1.00 0.13 H new ATOM 0 HE2 PHE A 42 -1.427 1.714 4.506 1.00 0.13 H new ATOM 0 HZ PHE A 42 -2.097 0.498 2.446 1.00 0.13 H new ATOM 653 N HIS A 43 -3.972 6.312 5.368 1.00 0.16 N ATOM 654 CA HIS A 43 -4.332 5.887 6.744 1.00 0.18 C ATOM 655 C HIS A 43 -5.790 6.236 7.059 1.00 0.16 C ATOM 656 O HIS A 43 -6.530 5.428 7.581 1.00 0.16 O ATOM 657 CB HIS A 43 -3.394 6.601 7.722 1.00 0.23 C ATOM 658 CG HIS A 43 -3.727 6.209 9.128 1.00 0.27 C ATOM 659 ND1 HIS A 43 -3.108 5.154 9.772 1.00 0.30 N ATOM 660 CD2 HIS A 43 -4.664 6.687 10.002 1.00 0.28 C ATOM 661 CE1 HIS A 43 -3.683 5.027 10.983 1.00 0.32 C ATOM 662 NE2 HIS A 43 -4.639 5.939 11.173 1.00 0.31 N ATOM 0 H HIS A 43 -3.300 7.078 5.322 1.00 0.16 H new ATOM 0 HA HIS A 43 -4.225 4.806 6.835 1.00 0.18 H new ATOM 0 HB2 HIS A 43 -2.358 6.344 7.499 1.00 0.23 H new ATOM 0 HB3 HIS A 43 -3.486 7.681 7.605 1.00 0.23 H new ATOM 0 HD2 HIS A 43 -5.324 7.520 9.811 1.00 0.28 H new ATOM 0 HE1 HIS A 43 -3.405 4.279 11.711 1.00 0.32 H new ATOM 0 HE2 HIS A 43 -5.225 6.061 11.999 1.00 0.31 H new ATOM 670 N SER A 44 -6.206 7.434 6.759 1.00 0.15 N ATOM 671 CA SER A 44 -7.614 7.827 7.055 1.00 0.15 C ATOM 672 C SER A 44 -8.590 6.926 6.292 1.00 0.13 C ATOM 673 O SER A 44 -9.639 6.570 6.791 1.00 0.15 O ATOM 674 CB SER A 44 -7.859 9.282 6.653 1.00 0.18 C ATOM 675 OG SER A 44 -7.053 10.138 7.456 1.00 0.22 O ATOM 0 H SER A 44 -5.635 8.158 6.323 1.00 0.15 H new ATOM 0 HA SER A 44 -7.778 7.716 8.127 1.00 0.15 H new ATOM 0 HB2 SER A 44 -7.621 9.424 5.599 1.00 0.18 H new ATOM 0 HB3 SER A 44 -8.912 9.533 6.779 1.00 0.18 H new ATOM 0 HG SER A 44 -6.199 10.301 7.004 1.00 0.22 H new ATOM 681 N LEU A 45 -8.268 6.583 5.072 1.00 0.12 N ATOM 682 CA LEU A 45 -9.195 5.739 4.260 1.00 0.14 C ATOM 683 C LEU A 45 -9.420 4.387 4.917 1.00 0.13 C ATOM 684 O LEU A 45 -10.420 3.739 4.679 1.00 0.15 O ATOM 685 CB LEU A 45 -8.630 5.530 2.854 1.00 0.16 C ATOM 686 CG LEU A 45 -8.712 6.841 2.049 1.00 0.18 C ATOM 687 CD1 LEU A 45 -7.742 6.784 0.867 1.00 0.20 C ATOM 688 CD2 LEU A 45 -10.137 7.050 1.512 1.00 0.22 C ATOM 0 H LEU A 45 -7.403 6.851 4.602 1.00 0.12 H new ATOM 0 HA LEU A 45 -10.149 6.262 4.196 1.00 0.14 H new ATOM 0 HB2 LEU A 45 -7.594 5.197 2.916 1.00 0.16 H new ATOM 0 HB3 LEU A 45 -9.187 4.745 2.343 1.00 0.16 H new ATOM 0 HG LEU A 45 -8.448 7.668 2.708 1.00 0.18 H new ATOM 0 HD11 LEU A 45 -7.804 7.713 0.301 1.00 0.20 H new ATOM 0 HD12 LEU A 45 -6.725 6.651 1.237 1.00 0.20 H new ATOM 0 HD13 LEU A 45 -8.005 5.947 0.220 1.00 0.20 H new ATOM 0 HD21 LEU A 45 -10.180 7.980 0.945 1.00 0.22 H new ATOM 0 HD22 LEU A 45 -10.407 6.217 0.863 1.00 0.22 H new ATOM 0 HD23 LEU A 45 -10.836 7.101 2.346 1.00 0.22 H new ATOM 700 N SER A 46 -8.513 3.931 5.724 1.00 0.12 N ATOM 701 CA SER A 46 -8.721 2.604 6.351 1.00 0.12 C ATOM 702 C SER A 46 -10.084 2.617 7.053 1.00 0.14 C ATOM 703 O SER A 46 -10.811 1.645 7.035 1.00 0.16 O ATOM 704 CB SER A 46 -7.600 2.331 7.358 1.00 0.13 C ATOM 705 OG SER A 46 -6.349 2.358 6.675 1.00 0.14 O ATOM 0 H SER A 46 -7.648 4.410 5.975 1.00 0.12 H new ATOM 0 HA SER A 46 -8.703 1.816 5.598 1.00 0.12 H new ATOM 0 HB2 SER A 46 -7.614 3.080 8.149 1.00 0.13 H new ATOM 0 HB3 SER A 46 -7.749 1.362 7.834 1.00 0.13 H new ATOM 0 HG SER A 46 -5.625 2.186 7.312 1.00 0.14 H new ATOM 711 N GLU A 47 -10.450 3.720 7.657 1.00 0.15 N ATOM 712 CA GLU A 47 -11.779 3.793 8.329 1.00 0.18 C ATOM 713 C GLU A 47 -12.858 4.184 7.307 1.00 0.18 C ATOM 714 O GLU A 47 -14.034 3.971 7.531 1.00 0.21 O ATOM 715 CB GLU A 47 -11.735 4.833 9.450 1.00 0.22 C ATOM 716 CG GLU A 47 -10.785 4.350 10.547 1.00 0.23 C ATOM 717 CD GLU A 47 -11.394 3.141 11.261 1.00 1.34 C ATOM 718 OE1 GLU A 47 -12.561 2.867 11.036 1.00 2.16 O ATOM 719 OE2 GLU A 47 -10.684 2.512 12.027 1.00 2.05 O ATOM 0 H GLU A 47 -9.887 4.569 7.713 1.00 0.15 H new ATOM 0 HA GLU A 47 -12.019 2.817 8.751 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -11.399 5.793 9.058 1.00 0.22 H new ATOM 0 HB3 GLU A 47 -12.734 4.987 9.859 1.00 0.22 H new ATOM 0 HG2 GLU A 47 -9.821 4.082 10.115 1.00 0.23 H new ATOM 0 HG3 GLU A 47 -10.601 5.152 11.262 1.00 0.23 H new ATOM 726 N LYS A 48 -12.478 4.736 6.176 1.00 0.17 N ATOM 727 CA LYS A 48 -13.516 5.103 5.166 1.00 0.19 C ATOM 728 C LYS A 48 -13.980 3.813 4.516 1.00 0.18 C ATOM 729 O LYS A 48 -15.145 3.619 4.234 1.00 0.21 O ATOM 730 CB LYS A 48 -12.939 6.030 4.094 1.00 0.20 C ATOM 731 CG LYS A 48 -14.087 6.533 3.214 1.00 0.30 C ATOM 732 CD LYS A 48 -13.537 7.364 2.054 1.00 0.82 C ATOM 733 CE LYS A 48 -14.707 7.865 1.205 1.00 1.03 C ATOM 734 NZ LYS A 48 -15.579 8.741 2.039 1.00 1.78 N ATOM 0 H LYS A 48 -11.514 4.943 5.915 1.00 0.17 H new ATOM 0 HA LYS A 48 -14.338 5.629 5.652 1.00 0.19 H new ATOM 0 HB2 LYS A 48 -12.422 6.870 4.558 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -12.204 5.498 3.490 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -14.656 5.688 2.828 1.00 0.30 H new ATOM 0 HG3 LYS A 48 -14.774 7.135 3.809 1.00 0.30 H new ATOM 0 HD2 LYS A 48 -12.959 8.206 2.434 1.00 0.82 H new ATOM 0 HD3 LYS A 48 -12.861 6.762 1.447 1.00 0.82 H new ATOM 0 HE2 LYS A 48 -14.335 8.418 0.342 1.00 1.03 H new ATOM 0 HE3 LYS A 48 -15.280 7.021 0.820 1.00 1.03 H new ATOM 0 HZ1 LYS A 48 -16.135 9.367 1.421 1.00 1.78 H new ATOM 0 HZ2 LYS A 48 -16.223 8.152 2.605 1.00 1.78 H new ATOM 0 HZ3 LYS A 48 -14.988 9.316 2.673 1.00 1.78 H new ATOM 748 N TYR A 49 -13.058 2.908 4.318 1.00 0.16 N ATOM 749 CA TYR A 49 -13.397 1.576 3.730 1.00 0.17 C ATOM 750 C TYR A 49 -12.933 0.512 4.722 1.00 0.16 C ATOM 751 O TYR A 49 -12.015 -0.240 4.470 1.00 0.16 O ATOM 752 CB TYR A 49 -12.679 1.395 2.388 1.00 0.17 C ATOM 753 CG TYR A 49 -13.209 2.397 1.390 1.00 0.17 C ATOM 754 CD1 TYR A 49 -14.500 2.236 0.873 1.00 0.22 C ATOM 755 CD2 TYR A 49 -12.424 3.484 0.987 1.00 0.19 C ATOM 756 CE1 TYR A 49 -15.007 3.160 -0.046 1.00 0.25 C ATOM 757 CE2 TYR A 49 -12.930 4.409 0.066 1.00 0.20 C ATOM 758 CZ TYR A 49 -14.223 4.247 -0.450 1.00 0.21 C ATOM 759 OH TYR A 49 -14.724 5.158 -1.357 1.00 0.25 O ATOM 0 H TYR A 49 -12.071 3.036 4.541 1.00 0.16 H new ATOM 0 HA TYR A 49 -14.469 1.494 3.550 1.00 0.17 H new ATOM 0 HB2 TYR A 49 -11.605 1.529 2.518 1.00 0.17 H new ATOM 0 HB3 TYR A 49 -12.831 0.382 2.017 1.00 0.17 H new ATOM 0 HD1 TYR A 49 -15.105 1.397 1.184 1.00 0.22 H new ATOM 0 HD2 TYR A 49 -11.428 3.609 1.387 1.00 0.19 H new ATOM 0 HE1 TYR A 49 -16.003 3.035 -0.444 1.00 0.25 H new ATOM 0 HE2 TYR A 49 -12.324 5.247 -0.247 1.00 0.20 H new ATOM 0 HH TYR A 49 -14.053 5.851 -1.529 1.00 0.25 H new ATOM 769 N SER A 50 -13.582 0.451 5.858 1.00 0.17 N ATOM 770 CA SER A 50 -13.209 -0.547 6.894 1.00 0.18 C ATOM 771 C SER A 50 -13.472 -1.949 6.350 1.00 0.19 C ATOM 772 O SER A 50 -13.084 -2.939 6.938 1.00 0.21 O ATOM 773 CB SER A 50 -14.041 -0.298 8.151 1.00 0.20 C ATOM 774 OG SER A 50 -15.395 -0.654 7.900 1.00 0.22 O ATOM 0 H SER A 50 -14.362 1.059 6.110 1.00 0.17 H new ATOM 0 HA SER A 50 -12.152 -0.456 7.146 1.00 0.18 H new ATOM 0 HB2 SER A 50 -13.648 -0.883 8.982 1.00 0.20 H new ATOM 0 HB3 SER A 50 -13.977 0.751 8.441 1.00 0.20 H new ATOM 0 HG SER A 50 -15.930 -0.496 8.706 1.00 0.22 H new ATOM 780 N ASN A 51 -14.111 -2.038 5.215 1.00 0.20 N ATOM 781 CA ASN A 51 -14.385 -3.371 4.610 1.00 0.23 C ATOM 782 C ASN A 51 -13.235 -3.718 3.669 1.00 0.19 C ATOM 783 O ASN A 51 -13.264 -4.713 2.971 1.00 0.22 O ATOM 784 CB ASN A 51 -15.689 -3.308 3.811 1.00 0.32 C ATOM 785 CG ASN A 51 -16.116 -4.723 3.409 1.00 0.54 C ATOM 786 OD1 ASN A 51 -16.417 -5.544 4.254 1.00 1.13 O ATOM 787 ND2 ASN A 51 -16.166 -5.043 2.143 1.00 0.27 N ATOM 0 H ASN A 51 -14.456 -1.241 4.680 1.00 0.20 H new ATOM 0 HA ASN A 51 -14.476 -4.126 5.391 1.00 0.23 H new ATOM 0 HB2 ASN A 51 -16.470 -2.838 4.408 1.00 0.32 H new ATOM 0 HB3 ASN A 51 -15.553 -2.692 2.922 1.00 0.32 H new ATOM 0 HD21 ASN A 51 -16.457 -5.980 1.865 1.00 0.27 H new ATOM 0 HD22 ASN A 51 -15.914 -4.356 1.433 1.00 0.27 H new ATOM 794 N VAL A 52 -12.206 -2.903 3.668 1.00 0.21 N ATOM 795 CA VAL A 52 -11.018 -3.155 2.802 1.00 0.17 C ATOM 796 C VAL A 52 -9.782 -3.150 3.696 1.00 0.13 C ATOM 797 O VAL A 52 -9.727 -2.435 4.676 1.00 0.14 O ATOM 798 CB VAL A 52 -10.899 -2.049 1.749 1.00 0.19 C ATOM 799 CG1 VAL A 52 -9.611 -2.240 0.943 1.00 0.19 C ATOM 800 CG2 VAL A 52 -12.104 -2.112 0.805 1.00 0.24 C ATOM 0 H VAL A 52 -12.142 -2.062 4.241 1.00 0.21 H new ATOM 0 HA VAL A 52 -11.116 -4.112 2.289 1.00 0.17 H new ATOM 0 HB VAL A 52 -10.874 -1.079 2.246 1.00 0.19 H new ATOM 0 HG11 VAL A 52 -9.530 -1.451 0.195 1.00 0.19 H new ATOM 0 HG12 VAL A 52 -8.752 -2.195 1.613 1.00 0.19 H new ATOM 0 HG13 VAL A 52 -9.633 -3.210 0.447 1.00 0.19 H new ATOM 0 HG21 VAL A 52 -12.020 -1.325 0.055 1.00 0.24 H new ATOM 0 HG22 VAL A 52 -12.129 -3.083 0.311 1.00 0.24 H new ATOM 0 HG23 VAL A 52 -13.022 -1.972 1.377 1.00 0.24 H new ATOM 810 N ILE A 53 -8.797 -3.953 3.389 1.00 0.11 N ATOM 811 CA ILE A 53 -7.572 -4.000 4.253 1.00 0.09 C ATOM 812 C ILE A 53 -6.462 -3.143 3.626 1.00 0.09 C ATOM 813 O ILE A 53 -6.086 -3.338 2.488 1.00 0.12 O ATOM 814 CB ILE A 53 -7.083 -5.450 4.359 1.00 0.11 C ATOM 815 CG1 ILE A 53 -8.245 -6.371 4.764 1.00 0.13 C ATOM 816 CG2 ILE A 53 -5.970 -5.546 5.409 1.00 0.13 C ATOM 817 CD1 ILE A 53 -8.942 -5.837 6.021 1.00 0.15 C ATOM 0 H ILE A 53 -8.784 -4.577 2.582 1.00 0.11 H new ATOM 0 HA ILE A 53 -7.815 -3.615 5.243 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.698 -5.763 3.388 1.00 0.11 H new ATOM 0 HG12 ILE A 53 -8.962 -6.442 3.946 1.00 0.13 H new ATOM 0 HG13 ILE A 53 -7.871 -7.378 4.949 1.00 0.13 H new ATOM 0 HG21 ILE A 53 -5.626 -6.578 5.481 1.00 0.13 H new ATOM 0 HG22 ILE A 53 -5.138 -4.905 5.117 1.00 0.13 H new ATOM 0 HG23 ILE A 53 -6.354 -5.223 6.377 1.00 0.13 H new ATOM 0 HD11 ILE A 53 -9.762 -6.502 6.293 1.00 0.15 H new ATOM 0 HD12 ILE A 53 -8.226 -5.790 6.842 1.00 0.15 H new ATOM 0 HD13 ILE A 53 -9.334 -4.839 5.824 1.00 0.15 H new ATOM 829 N PHE A 54 -5.930 -2.198 4.368 1.00 0.08 N ATOM 830 CA PHE A 54 -4.827 -1.325 3.827 1.00 0.09 C ATOM 831 C PHE A 54 -3.490 -1.718 4.484 1.00 0.09 C ATOM 832 O PHE A 54 -3.380 -1.764 5.695 1.00 0.12 O ATOM 833 CB PHE A 54 -5.110 0.144 4.175 1.00 0.10 C ATOM 834 CG PHE A 54 -6.338 0.652 3.448 1.00 0.09 C ATOM 835 CD1 PHE A 54 -7.613 0.265 3.873 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.201 1.538 2.365 1.00 0.10 C ATOM 837 CE1 PHE A 54 -8.750 0.758 3.219 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.343 2.026 1.709 1.00 0.11 C ATOM 839 CZ PHE A 54 -8.614 1.636 2.139 1.00 0.10 C ATOM 0 H PHE A 54 -6.210 -1.991 5.327 1.00 0.08 H new ATOM 0 HA PHE A 54 -4.775 -1.455 2.746 1.00 0.09 H new ATOM 0 HB2 PHE A 54 -5.253 0.245 5.251 1.00 0.10 H new ATOM 0 HB3 PHE A 54 -4.248 0.756 3.910 1.00 0.10 H new ATOM 0 HD1 PHE A 54 -7.721 -0.414 4.706 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.218 1.843 2.038 1.00 0.10 H new ATOM 0 HE1 PHE A 54 -9.734 0.459 3.550 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.239 2.702 0.873 1.00 0.11 H new ATOM 0 HZ PHE A 54 -9.493 2.013 1.637 1.00 0.10 H new ATOM 849 N LEU A 55 -2.466 -1.983 3.698 1.00 0.09 N ATOM 850 CA LEU A 55 -1.117 -2.350 4.266 1.00 0.11 C ATOM 851 C LEU A 55 -0.116 -1.229 4.003 1.00 0.10 C ATOM 852 O LEU A 55 -0.071 -0.661 2.930 1.00 0.10 O ATOM 853 CB LEU A 55 -0.552 -3.639 3.622 1.00 0.12 C ATOM 854 CG LEU A 55 -1.261 -4.899 4.136 1.00 0.15 C ATOM 855 CD1 LEU A 55 -2.778 -4.745 4.083 1.00 0.20 C ATOM 856 CD2 LEU A 55 -0.835 -6.090 3.278 1.00 0.22 C ATOM 0 H LEU A 55 -2.506 -1.961 2.679 1.00 0.09 H new ATOM 0 HA LEU A 55 -1.258 -2.511 5.335 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.659 -3.580 2.539 1.00 0.12 H new ATOM 0 HB3 LEU A 55 0.515 -3.712 3.833 1.00 0.12 H new ATOM 0 HG LEU A 55 -0.978 -5.059 5.176 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -3.249 -5.655 4.454 1.00 0.20 H new ATOM 0 HD12 LEU A 55 -3.080 -3.901 4.703 1.00 0.20 H new ATOM 0 HD13 LEU A 55 -3.090 -4.569 3.054 1.00 0.20 H new ATOM 0 HD21 LEU A 55 -1.333 -6.992 3.634 1.00 0.22 H new ATOM 0 HD22 LEU A 55 -1.113 -5.908 2.240 1.00 0.22 H new ATOM 0 HD23 LEU A 55 0.245 -6.221 3.347 1.00 0.22 H new ATOM 868 N GLU A 56 0.724 -0.948 4.965 1.00 0.12 N ATOM 869 CA GLU A 56 1.775 0.098 4.780 1.00 0.13 C ATOM 870 C GLU A 56 3.111 -0.637 4.708 1.00 0.13 C ATOM 871 O GLU A 56 3.401 -1.475 5.539 1.00 0.14 O ATOM 872 CB GLU A 56 1.770 1.051 5.982 1.00 0.15 C ATOM 873 CG GLU A 56 2.706 2.231 5.708 1.00 0.17 C ATOM 874 CD GLU A 56 2.837 3.082 6.976 1.00 0.20 C ATOM 875 OE1 GLU A 56 3.575 2.679 7.862 1.00 1.13 O ATOM 876 OE2 GLU A 56 2.197 4.121 7.041 1.00 1.05 O ATOM 0 H GLU A 56 0.727 -1.402 5.878 1.00 0.12 H new ATOM 0 HA GLU A 56 1.598 0.685 3.879 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.759 1.412 6.168 1.00 0.15 H new ATOM 0 HB3 GLU A 56 2.090 0.522 6.880 1.00 0.15 H new ATOM 0 HG2 GLU A 56 3.686 1.868 5.398 1.00 0.17 H new ATOM 0 HG3 GLU A 56 2.316 2.836 4.889 1.00 0.17 H new ATOM 883 N VAL A 57 3.920 -0.358 3.713 1.00 0.12 N ATOM 884 CA VAL A 57 5.235 -1.076 3.581 1.00 0.12 C ATOM 885 C VAL A 57 6.377 -0.068 3.499 1.00 0.11 C ATOM 886 O VAL A 57 6.314 0.919 2.793 1.00 0.13 O ATOM 887 CB VAL A 57 5.228 -1.944 2.319 1.00 0.12 C ATOM 888 CG1 VAL A 57 6.543 -2.726 2.222 1.00 0.15 C ATOM 889 CG2 VAL A 57 4.067 -2.931 2.405 1.00 0.14 C ATOM 0 H VAL A 57 3.730 0.333 2.987 1.00 0.12 H new ATOM 0 HA VAL A 57 5.379 -1.709 4.456 1.00 0.12 H new ATOM 0 HB VAL A 57 5.119 -1.309 1.440 1.00 0.12 H new ATOM 0 HG11 VAL A 57 6.534 -3.342 1.323 1.00 0.15 H new ATOM 0 HG12 VAL A 57 7.379 -2.028 2.175 1.00 0.15 H new ATOM 0 HG13 VAL A 57 6.652 -3.365 3.099 1.00 0.15 H new ATOM 0 HG21 VAL A 57 4.052 -3.554 1.511 1.00 0.14 H new ATOM 0 HG22 VAL A 57 4.190 -3.562 3.285 1.00 0.14 H new ATOM 0 HG23 VAL A 57 3.128 -2.383 2.480 1.00 0.14 H new ATOM 899 N ASP A 58 7.424 -0.328 4.230 1.00 0.10 N ATOM 900 CA ASP A 58 8.602 0.577 4.234 1.00 0.09 C ATOM 901 C ASP A 58 9.658 0.012 3.287 1.00 0.09 C ATOM 902 O ASP A 58 10.190 -1.054 3.514 1.00 0.09 O ATOM 903 CB ASP A 58 9.177 0.607 5.647 1.00 0.10 C ATOM 904 CG ASP A 58 10.229 1.713 5.750 1.00 0.11 C ATOM 905 OD1 ASP A 58 10.368 2.459 4.796 1.00 1.02 O ATOM 906 OD2 ASP A 58 10.878 1.793 6.781 1.00 1.05 O ATOM 0 H ASP A 58 7.513 -1.144 4.835 1.00 0.10 H new ATOM 0 HA ASP A 58 8.314 1.579 3.917 1.00 0.09 H new ATOM 0 HB2 ASP A 58 8.381 0.780 6.371 1.00 0.10 H new ATOM 0 HB3 ASP A 58 9.624 -0.357 5.889 1.00 0.10 H new ATOM 911 N VAL A 59 10.002 0.713 2.250 1.00 0.09 N ATOM 912 CA VAL A 59 11.047 0.177 1.336 1.00 0.10 C ATOM 913 C VAL A 59 12.359 0.104 2.105 1.00 0.11 C ATOM 914 O VAL A 59 13.289 -0.570 1.710 1.00 0.12 O ATOM 915 CB VAL A 59 11.233 1.122 0.148 1.00 0.12 C ATOM 916 CG1 VAL A 59 9.916 1.265 -0.612 1.00 0.14 C ATOM 917 CG2 VAL A 59 11.698 2.494 0.653 1.00 0.16 C ATOM 0 H VAL A 59 9.614 1.621 1.995 1.00 0.09 H new ATOM 0 HA VAL A 59 10.750 -0.807 0.974 1.00 0.10 H new ATOM 0 HB VAL A 59 11.986 0.713 -0.525 1.00 0.12 H new ATOM 0 HG11 VAL A 59 10.055 1.939 -1.457 1.00 0.14 H new ATOM 0 HG12 VAL A 59 9.598 0.288 -0.976 1.00 0.14 H new ATOM 0 HG13 VAL A 59 9.154 1.670 0.054 1.00 0.14 H new ATOM 0 HG21 VAL A 59 11.831 3.168 -0.194 1.00 0.16 H new ATOM 0 HG22 VAL A 59 10.949 2.905 1.330 1.00 0.16 H new ATOM 0 HG23 VAL A 59 12.645 2.385 1.182 1.00 0.16 H new ATOM 927 N ASP A 60 12.461 0.835 3.186 1.00 0.10 N ATOM 928 CA ASP A 60 13.736 0.837 3.962 1.00 0.12 C ATOM 929 C ASP A 60 13.740 -0.236 5.064 1.00 0.13 C ATOM 930 O ASP A 60 14.735 -0.902 5.268 1.00 0.15 O ATOM 931 CB ASP A 60 13.916 2.224 4.584 1.00 0.14 C ATOM 932 CG ASP A 60 14.453 3.189 3.524 1.00 0.16 C ATOM 933 OD1 ASP A 60 13.665 3.641 2.713 1.00 1.07 O ATOM 934 OD2 ASP A 60 15.643 3.455 3.544 1.00 1.08 O ATOM 0 H ASP A 60 11.721 1.427 3.562 1.00 0.10 H new ATOM 0 HA ASP A 60 14.559 0.605 3.286 1.00 0.12 H new ATOM 0 HB2 ASP A 60 12.965 2.587 4.974 1.00 0.14 H new ATOM 0 HB3 ASP A 60 14.606 2.171 5.426 1.00 0.14 H new ATOM 939 N ASP A 61 12.652 -0.427 5.771 1.00 0.13 N ATOM 940 CA ASP A 61 12.639 -1.476 6.849 1.00 0.15 C ATOM 941 C ASP A 61 12.009 -2.747 6.291 1.00 0.14 C ATOM 942 O ASP A 61 12.175 -3.826 6.824 1.00 0.19 O ATOM 943 CB ASP A 61 11.829 -0.986 8.054 1.00 0.16 C ATOM 944 CG ASP A 61 12.517 0.239 8.660 1.00 0.19 C ATOM 945 OD1 ASP A 61 13.703 0.402 8.428 1.00 1.07 O ATOM 946 OD2 ASP A 61 11.843 0.992 9.344 1.00 1.01 O ATOM 0 H ASP A 61 11.780 0.089 5.653 1.00 0.13 H new ATOM 0 HA ASP A 61 13.660 -1.677 7.173 1.00 0.15 H new ATOM 0 HB2 ASP A 61 10.814 -0.733 7.746 1.00 0.16 H new ATOM 0 HB3 ASP A 61 11.748 -1.778 8.799 1.00 0.16 H new ATOM 951 N ALA A 62 11.291 -2.615 5.210 1.00 0.11 N ATOM 952 CA ALA A 62 10.637 -3.791 4.563 1.00 0.12 C ATOM 953 C ALA A 62 11.177 -3.905 3.141 1.00 0.11 C ATOM 954 O ALA A 62 10.459 -4.192 2.205 1.00 0.12 O ATOM 955 CB ALA A 62 9.121 -3.581 4.535 1.00 0.14 C ATOM 0 H ALA A 62 11.126 -1.726 4.738 1.00 0.11 H new ATOM 0 HA ALA A 62 10.850 -4.704 5.119 1.00 0.12 H new ATOM 0 HB1 ALA A 62 8.643 -4.439 4.063 1.00 0.14 H new ATOM 0 HB2 ALA A 62 8.750 -3.474 5.554 1.00 0.14 H new ATOM 0 HB3 ALA A 62 8.889 -2.679 3.968 1.00 0.14 H new ATOM 961 N GLN A 63 12.441 -3.656 2.981 1.00 0.11 N ATOM 962 CA GLN A 63 13.052 -3.714 1.629 1.00 0.12 C ATOM 963 C GLN A 63 12.886 -5.119 1.048 1.00 0.12 C ATOM 964 O GLN A 63 12.971 -5.317 -0.143 1.00 0.14 O ATOM 965 CB GLN A 63 14.539 -3.365 1.733 1.00 0.13 C ATOM 966 CG GLN A 63 15.280 -4.469 2.492 1.00 0.15 C ATOM 967 CD GLN A 63 16.708 -4.004 2.787 1.00 0.77 C ATOM 968 OE1 GLN A 63 17.466 -3.725 1.882 1.00 1.47 O ATOM 969 NE2 GLN A 63 17.109 -3.905 4.024 1.00 1.43 N ATOM 0 H GLN A 63 13.084 -3.413 3.735 1.00 0.11 H new ATOM 0 HA GLN A 63 12.557 -2.999 0.972 1.00 0.12 H new ATOM 0 HB2 GLN A 63 14.965 -3.248 0.736 1.00 0.13 H new ATOM 0 HB3 GLN A 63 14.663 -2.412 2.247 1.00 0.13 H new ATOM 0 HG2 GLN A 63 14.760 -4.700 3.422 1.00 0.15 H new ATOM 0 HG3 GLN A 63 15.297 -5.385 1.901 1.00 0.15 H new ATOM 0 HE21 GLN A 63 16.473 -4.139 4.787 1.00 1.43 H new ATOM 0 HE22 GLN A 63 18.058 -3.593 4.229 1.00 1.43 H new ATOM 978 N ASP A 64 12.640 -6.096 1.872 1.00 0.13 N ATOM 979 CA ASP A 64 12.465 -7.472 1.346 1.00 0.13 C ATOM 980 C ASP A 64 11.231 -7.508 0.440 1.00 0.15 C ATOM 981 O ASP A 64 11.208 -8.194 -0.563 1.00 0.16 O ATOM 982 CB ASP A 64 12.298 -8.452 2.509 1.00 0.17 C ATOM 983 CG ASP A 64 11.232 -7.943 3.477 1.00 0.21 C ATOM 984 OD1 ASP A 64 10.118 -7.727 3.036 1.00 1.02 O ATOM 985 OD2 ASP A 64 11.549 -7.777 4.641 1.00 1.05 O ATOM 0 H ASP A 64 12.553 -6.000 2.884 1.00 0.13 H new ATOM 0 HA ASP A 64 13.343 -7.762 0.770 1.00 0.13 H new ATOM 0 HB2 ASP A 64 12.016 -9.434 2.129 1.00 0.17 H new ATOM 0 HB3 ASP A 64 13.247 -8.573 3.032 1.00 0.17 H new ATOM 990 N VAL A 65 10.211 -6.765 0.771 1.00 0.17 N ATOM 991 CA VAL A 65 8.995 -6.757 -0.090 1.00 0.22 C ATOM 992 C VAL A 65 9.297 -5.972 -1.370 1.00 0.22 C ATOM 993 O VAL A 65 8.896 -6.347 -2.455 1.00 0.26 O ATOM 994 CB VAL A 65 7.847 -6.066 0.658 1.00 0.26 C ATOM 995 CG1 VAL A 65 6.529 -6.294 -0.091 1.00 0.35 C ATOM 996 CG2 VAL A 65 7.747 -6.625 2.087 1.00 0.32 C ATOM 0 H VAL A 65 10.167 -6.166 1.596 1.00 0.17 H new ATOM 0 HA VAL A 65 8.712 -7.780 -0.335 1.00 0.22 H new ATOM 0 HB VAL A 65 8.044 -4.995 0.710 1.00 0.26 H new ATOM 0 HG11 VAL A 65 5.717 -5.802 0.444 1.00 0.35 H new ATOM 0 HG12 VAL A 65 6.605 -5.880 -1.096 1.00 0.35 H new ATOM 0 HG13 VAL A 65 6.326 -7.363 -0.154 1.00 0.35 H new ATOM 0 HG21 VAL A 65 6.931 -6.132 2.614 1.00 0.32 H new ATOM 0 HG22 VAL A 65 7.557 -7.697 2.046 1.00 0.32 H new ATOM 0 HG23 VAL A 65 8.683 -6.443 2.615 1.00 0.32 H new ATOM 1006 N ALA A 66 9.992 -4.871 -1.238 1.00 0.19 N ATOM 1007 CA ALA A 66 10.322 -4.029 -2.428 1.00 0.22 C ATOM 1008 C ALA A 66 11.317 -4.752 -3.342 1.00 0.23 C ATOM 1009 O ALA A 66 11.195 -4.710 -4.550 1.00 0.26 O ATOM 1010 CB ALA A 66 10.934 -2.702 -1.964 1.00 0.25 C ATOM 0 H ALA A 66 10.348 -4.517 -0.350 1.00 0.19 H new ATOM 0 HA ALA A 66 9.404 -3.841 -2.985 1.00 0.22 H new ATOM 0 HB1 ALA A 66 11.174 -2.089 -2.832 1.00 0.25 H new ATOM 0 HB2 ALA A 66 10.220 -2.173 -1.333 1.00 0.25 H new ATOM 0 HB3 ALA A 66 11.843 -2.899 -1.396 1.00 0.25 H new ATOM 1016 N SER A 67 12.310 -5.395 -2.792 1.00 0.21 N ATOM 1017 CA SER A 67 13.294 -6.085 -3.672 1.00 0.23 C ATOM 1018 C SER A 67 12.561 -7.130 -4.506 1.00 0.23 C ATOM 1019 O SER A 67 12.831 -7.305 -5.677 1.00 0.24 O ATOM 1020 CB SER A 67 14.360 -6.779 -2.821 1.00 0.23 C ATOM 1021 OG SER A 67 13.731 -7.741 -1.983 1.00 0.22 O ATOM 0 H SER A 67 12.481 -5.472 -1.789 1.00 0.21 H new ATOM 0 HA SER A 67 13.775 -5.354 -4.321 1.00 0.23 H new ATOM 0 HB2 SER A 67 15.097 -7.263 -3.462 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.895 -6.046 -2.217 1.00 0.23 H new ATOM 0 HG SER A 67 14.408 -8.191 -1.436 1.00 0.22 H new ATOM 1027 N GLU A 68 11.619 -7.807 -3.921 1.00 0.23 N ATOM 1028 CA GLU A 68 10.859 -8.825 -4.688 1.00 0.25 C ATOM 1029 C GLU A 68 10.040 -8.132 -5.786 1.00 0.22 C ATOM 1030 O GLU A 68 9.913 -8.632 -6.887 1.00 0.24 O ATOM 1031 CB GLU A 68 9.922 -9.579 -3.739 1.00 0.29 C ATOM 1032 CG GLU A 68 9.201 -10.691 -4.505 1.00 0.32 C ATOM 1033 CD GLU A 68 8.193 -11.385 -3.587 1.00 1.27 C ATOM 1034 OE1 GLU A 68 7.443 -10.687 -2.923 1.00 2.06 O ATOM 1035 OE2 GLU A 68 8.182 -12.605 -3.570 1.00 1.96 O ATOM 0 H GLU A 68 11.342 -7.700 -2.945 1.00 0.23 H new ATOM 0 HA GLU A 68 11.551 -9.530 -5.148 1.00 0.25 H new ATOM 0 HB2 GLU A 68 10.491 -10.003 -2.912 1.00 0.29 H new ATOM 0 HB3 GLU A 68 9.195 -8.891 -3.307 1.00 0.29 H new ATOM 0 HG2 GLU A 68 8.689 -10.274 -5.373 1.00 0.32 H new ATOM 0 HG3 GLU A 68 9.925 -11.415 -4.879 1.00 0.32 H new ATOM 1042 N ALA A 69 9.457 -6.997 -5.484 1.00 0.20 N ATOM 1043 CA ALA A 69 8.619 -6.284 -6.499 1.00 0.20 C ATOM 1044 C ALA A 69 9.467 -5.351 -7.367 1.00 0.19 C ATOM 1045 O ALA A 69 8.964 -4.743 -8.289 1.00 0.20 O ATOM 1046 CB ALA A 69 7.546 -5.465 -5.783 1.00 0.23 C ATOM 0 H ALA A 69 9.525 -6.533 -4.578 1.00 0.20 H new ATOM 0 HA ALA A 69 8.159 -7.031 -7.146 1.00 0.20 H new ATOM 0 HB1 ALA A 69 6.934 -4.944 -6.519 1.00 0.23 H new ATOM 0 HB2 ALA A 69 6.916 -6.129 -5.191 1.00 0.23 H new ATOM 0 HB3 ALA A 69 8.022 -4.736 -5.127 1.00 0.23 H new ATOM 1052 N GLU A 70 10.738 -5.222 -7.094 1.00 0.18 N ATOM 1053 CA GLU A 70 11.584 -4.321 -7.932 1.00 0.18 C ATOM 1054 C GLU A 70 10.967 -2.928 -8.008 1.00 0.17 C ATOM 1055 O GLU A 70 10.820 -2.371 -9.078 1.00 0.18 O ATOM 1056 CB GLU A 70 11.704 -4.880 -9.351 1.00 0.22 C ATOM 1057 CG GLU A 70 12.553 -6.142 -9.336 1.00 0.24 C ATOM 1058 CD GLU A 70 11.771 -7.270 -8.667 1.00 1.24 C ATOM 1059 OE1 GLU A 70 10.565 -7.317 -8.851 1.00 2.02 O ATOM 1060 OE2 GLU A 70 12.387 -8.064 -7.975 1.00 2.02 O ATOM 0 H GLU A 70 11.225 -5.697 -6.334 1.00 0.18 H new ATOM 0 HA GLU A 70 12.570 -4.260 -7.472 1.00 0.18 H new ATOM 0 HB2 GLU A 70 10.714 -5.101 -9.750 1.00 0.22 H new ATOM 0 HB3 GLU A 70 12.154 -4.136 -10.008 1.00 0.22 H new ATOM 0 HG2 GLU A 70 12.822 -6.425 -10.354 1.00 0.24 H new ATOM 0 HG3 GLU A 70 13.484 -5.961 -8.799 1.00 0.24 H new ATOM 1067 N VAL A 71 10.605 -2.346 -6.904 1.00 0.15 N ATOM 1068 CA VAL A 71 9.998 -0.990 -6.980 1.00 0.14 C ATOM 1069 C VAL A 71 11.067 -0.005 -7.459 1.00 0.14 C ATOM 1070 O VAL A 71 12.183 -0.009 -6.977 1.00 0.16 O ATOM 1071 CB VAL A 71 9.506 -0.558 -5.600 1.00 0.13 C ATOM 1072 CG1 VAL A 71 8.775 0.774 -5.739 1.00 0.14 C ATOM 1073 CG2 VAL A 71 8.551 -1.616 -5.033 1.00 0.15 C ATOM 0 H VAL A 71 10.700 -2.740 -5.968 1.00 0.15 H new ATOM 0 HA VAL A 71 9.154 -1.006 -7.670 1.00 0.14 H new ATOM 0 HB VAL A 71 10.352 -0.450 -4.922 1.00 0.13 H new ATOM 0 HG11 VAL A 71 8.417 1.096 -4.761 1.00 0.14 H new ATOM 0 HG12 VAL A 71 9.457 1.523 -6.141 1.00 0.14 H new ATOM 0 HG13 VAL A 71 7.928 0.655 -6.414 1.00 0.14 H new ATOM 0 HG21 VAL A 71 8.203 -1.302 -4.049 1.00 0.15 H new ATOM 0 HG22 VAL A 71 7.697 -1.730 -5.700 1.00 0.15 H new ATOM 0 HG23 VAL A 71 9.073 -2.569 -4.947 1.00 0.15 H new ATOM 1083 N LYS A 72 10.739 0.830 -8.419 1.00 0.15 N ATOM 1084 CA LYS A 72 11.738 1.810 -8.944 1.00 0.16 C ATOM 1085 C LYS A 72 11.455 3.214 -8.401 1.00 0.15 C ATOM 1086 O LYS A 72 12.275 4.102 -8.529 1.00 0.16 O ATOM 1087 CB LYS A 72 11.672 1.837 -10.477 1.00 0.19 C ATOM 1088 CG LYS A 72 12.077 0.469 -11.058 1.00 0.23 C ATOM 1089 CD LYS A 72 13.572 0.198 -10.800 1.00 0.74 C ATOM 1090 CE LYS A 72 14.092 -0.831 -11.806 1.00 0.88 C ATOM 1091 NZ LYS A 72 14.013 -0.262 -13.181 1.00 1.60 N ATOM 0 H LYS A 72 9.820 0.873 -8.860 1.00 0.15 H new ATOM 0 HA LYS A 72 12.732 1.501 -8.619 1.00 0.16 H new ATOM 0 HB2 LYS A 72 10.662 2.091 -10.799 1.00 0.19 H new ATOM 0 HB3 LYS A 72 12.334 2.613 -10.862 1.00 0.19 H new ATOM 0 HG2 LYS A 72 11.475 -0.318 -10.605 1.00 0.23 H new ATOM 0 HG3 LYS A 72 11.876 0.448 -12.129 1.00 0.23 H new ATOM 0 HD2 LYS A 72 14.140 1.125 -10.887 1.00 0.74 H new ATOM 0 HD3 LYS A 72 13.715 -0.169 -9.784 1.00 0.74 H new ATOM 0 HE2 LYS A 72 15.122 -1.099 -11.570 1.00 0.88 H new ATOM 0 HE3 LYS A 72 13.503 -1.746 -11.745 1.00 0.88 H new ATOM 0 HZ1 LYS A 72 14.790 -0.642 -13.759 1.00 1.60 H new ATOM 0 HZ2 LYS A 72 13.102 -0.520 -13.612 1.00 1.60 H new ATOM 0 HZ3 LYS A 72 14.092 0.774 -13.133 1.00 1.60 H new ATOM 1105 N ALA A 73 10.316 3.438 -7.796 1.00 0.13 N ATOM 1106 CA ALA A 73 10.036 4.806 -7.261 1.00 0.13 C ATOM 1107 C ALA A 73 8.961 4.756 -6.161 1.00 0.11 C ATOM 1108 O ALA A 73 8.135 3.868 -6.116 1.00 0.12 O ATOM 1109 CB ALA A 73 9.569 5.710 -8.419 1.00 0.14 C ATOM 0 H ALA A 73 9.580 2.747 -7.651 1.00 0.13 H new ATOM 0 HA ALA A 73 10.947 5.210 -6.820 1.00 0.13 H new ATOM 0 HB1 ALA A 73 9.362 6.710 -8.039 1.00 0.14 H new ATOM 0 HB2 ALA A 73 10.351 5.764 -9.176 1.00 0.14 H new ATOM 0 HB3 ALA A 73 8.663 5.296 -8.862 1.00 0.14 H new ATOM 1115 N THR A 74 8.971 5.735 -5.286 1.00 0.11 N ATOM 1116 CA THR A 74 7.968 5.813 -4.177 1.00 0.11 C ATOM 1117 C THR A 74 7.363 7.226 -4.182 1.00 0.12 C ATOM 1118 O THR A 74 8.017 8.155 -4.595 1.00 0.15 O ATOM 1119 CB THR A 74 8.684 5.589 -2.828 1.00 0.12 C ATOM 1120 OG1 THR A 74 9.506 6.705 -2.549 1.00 0.15 O ATOM 1121 CG2 THR A 74 9.531 4.322 -2.869 1.00 0.14 C ATOM 0 H THR A 74 9.647 6.499 -5.295 1.00 0.11 H new ATOM 0 HA THR A 74 7.194 5.058 -4.313 1.00 0.11 H new ATOM 0 HB THR A 74 7.935 5.474 -2.045 1.00 0.12 H new ATOM 0 HG1 THR A 74 9.962 6.569 -1.692 1.00 0.15 H new ATOM 0 HG21 THR A 74 10.026 4.184 -1.908 1.00 0.14 H new ATOM 0 HG22 THR A 74 8.892 3.463 -3.074 1.00 0.14 H new ATOM 0 HG23 THR A 74 10.282 4.411 -3.654 1.00 0.14 H new ATOM 1129 N PRO A 75 6.158 7.420 -3.685 1.00 0.13 N ATOM 1130 CA PRO A 75 5.296 6.325 -3.157 1.00 0.10 C ATOM 1131 C PRO A 75 4.639 5.509 -4.272 1.00 0.09 C ATOM 1132 O PRO A 75 4.202 6.043 -5.271 1.00 0.10 O ATOM 1133 CB PRO A 75 4.254 7.110 -2.341 1.00 0.12 C ATOM 1134 CG PRO A 75 4.264 8.563 -2.847 1.00 0.15 C ATOM 1135 CD PRO A 75 5.577 8.790 -3.618 1.00 0.16 C ATOM 0 HA PRO A 75 5.847 5.582 -2.580 1.00 0.10 H new ATOM 0 HB2 PRO A 75 3.264 6.670 -2.460 1.00 0.12 H new ATOM 0 HB3 PRO A 75 4.493 7.073 -1.278 1.00 0.12 H new ATOM 0 HG2 PRO A 75 3.406 8.747 -3.493 1.00 0.15 H new ATOM 0 HG3 PRO A 75 4.188 9.258 -2.011 1.00 0.15 H new ATOM 0 HD2 PRO A 75 5.398 9.203 -4.611 1.00 0.16 H new ATOM 0 HD3 PRO A 75 6.237 9.485 -3.098 1.00 0.16 H new ATOM 1143 N THR A 76 4.538 4.218 -4.078 1.00 0.09 N ATOM 1144 CA THR A 76 3.881 3.338 -5.090 1.00 0.09 C ATOM 1145 C THR A 76 2.786 2.537 -4.401 1.00 0.10 C ATOM 1146 O THR A 76 2.971 2.025 -3.314 1.00 0.12 O ATOM 1147 CB THR A 76 4.892 2.367 -5.705 1.00 0.10 C ATOM 1148 OG1 THR A 76 5.928 3.096 -6.344 1.00 0.11 O ATOM 1149 CG2 THR A 76 4.179 1.486 -6.734 1.00 0.13 C ATOM 0 H THR A 76 4.887 3.732 -3.252 1.00 0.09 H new ATOM 0 HA THR A 76 3.466 3.960 -5.883 1.00 0.09 H new ATOM 0 HB THR A 76 5.323 1.744 -4.921 1.00 0.10 H new ATOM 0 HG1 THR A 76 6.774 2.942 -5.874 1.00 0.11 H new ATOM 0 HG21 THR A 76 4.894 0.792 -7.176 1.00 0.13 H new ATOM 0 HG22 THR A 76 3.384 0.925 -6.244 1.00 0.13 H new ATOM 0 HG23 THR A 76 3.751 2.113 -7.516 1.00 0.13 H new ATOM 1157 N PHE A 77 1.647 2.436 -5.020 1.00 0.10 N ATOM 1158 CA PHE A 77 0.515 1.666 -4.419 1.00 0.10 C ATOM 1159 C PHE A 77 0.276 0.419 -5.263 1.00 0.10 C ATOM 1160 O PHE A 77 0.198 0.489 -6.473 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.752 2.525 -4.421 1.00 0.13 C ATOM 1162 CG PHE A 77 -0.510 3.776 -3.616 1.00 0.14 C ATOM 1163 CD1 PHE A 77 -0.775 3.796 -2.238 1.00 0.18 C ATOM 1164 CD2 PHE A 77 -0.018 4.920 -4.251 1.00 0.14 C ATOM 1165 CE1 PHE A 77 -0.545 4.964 -1.499 1.00 0.20 C ATOM 1166 CE2 PHE A 77 0.211 6.089 -3.514 1.00 0.16 C ATOM 1167 CZ PHE A 77 -0.051 6.111 -2.136 1.00 0.19 C ATOM 0 H PHE A 77 1.445 2.857 -5.927 1.00 0.10 H new ATOM 0 HA PHE A 77 0.759 1.389 -3.393 1.00 0.10 H new ATOM 0 HB2 PHE A 77 -1.027 2.785 -5.443 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.586 1.964 -3.999 1.00 0.13 H new ATOM 0 HD1 PHE A 77 -1.156 2.912 -1.748 1.00 0.18 H new ATOM 0 HD2 PHE A 77 0.186 4.903 -5.311 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.748 4.981 -0.438 1.00 0.20 H new ATOM 0 HE2 PHE A 77 0.589 6.973 -4.006 1.00 0.16 H new ATOM 0 HZ PHE A 77 0.128 7.011 -1.566 1.00 0.19 H new ATOM 1177 N GLN A 78 0.141 -0.721 -4.637 1.00 0.09 N ATOM 1178 CA GLN A 78 -0.111 -1.985 -5.397 1.00 0.09 C ATOM 1179 C GLN A 78 -1.387 -2.621 -4.873 1.00 0.08 C ATOM 1180 O GLN A 78 -1.680 -2.568 -3.695 1.00 0.09 O ATOM 1181 CB GLN A 78 1.056 -2.955 -5.211 1.00 0.09 C ATOM 1182 CG GLN A 78 2.286 -2.430 -5.957 1.00 0.12 C ATOM 1183 CD GLN A 78 3.411 -3.465 -5.874 1.00 0.15 C ATOM 1184 OE1 GLN A 78 3.157 -4.648 -5.763 1.00 0.27 O ATOM 1185 NE2 GLN A 78 4.653 -3.068 -5.918 1.00 0.29 N ATOM 0 H GLN A 78 0.195 -0.833 -3.625 1.00 0.09 H new ATOM 0 HA GLN A 78 -0.211 -1.758 -6.458 1.00 0.09 H new ATOM 0 HB2 GLN A 78 1.282 -3.068 -4.151 1.00 0.09 H new ATOM 0 HB3 GLN A 78 0.785 -3.942 -5.586 1.00 0.09 H new ATOM 0 HG2 GLN A 78 2.036 -2.231 -6.999 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.613 -1.485 -5.522 1.00 0.12 H new ATOM 0 HE21 GLN A 78 4.868 -2.075 -6.011 1.00 0.29 H new ATOM 0 HE22 GLN A 78 5.409 -3.750 -5.859 1.00 0.29 H new ATOM 1194 N PHE A 79 -2.157 -3.212 -5.745 1.00 0.07 N ATOM 1195 CA PHE A 79 -3.440 -3.850 -5.318 1.00 0.07 C ATOM 1196 C PHE A 79 -3.334 -5.365 -5.380 1.00 0.07 C ATOM 1197 O PHE A 79 -2.950 -5.933 -6.382 1.00 0.08 O ATOM 1198 CB PHE A 79 -4.556 -3.388 -6.249 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.755 -1.913 -6.045 1.00 0.09 C ATOM 1200 CD1 PHE A 79 -3.853 -1.011 -6.616 1.00 0.08 C ATOM 1201 CD2 PHE A 79 -5.826 -1.442 -5.272 1.00 0.12 C ATOM 1202 CE1 PHE A 79 -4.018 0.363 -6.420 1.00 0.09 C ATOM 1203 CE2 PHE A 79 -5.989 -0.066 -5.074 1.00 0.14 C ATOM 1204 CZ PHE A 79 -5.086 0.837 -5.648 1.00 0.12 C ATOM 0 H PHE A 79 -1.953 -3.282 -6.742 1.00 0.07 H new ATOM 0 HA PHE A 79 -3.655 -3.557 -4.290 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.296 -3.597 -7.287 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.478 -3.929 -6.036 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -3.028 -1.376 -7.209 1.00 0.08 H new ATOM 0 HD2 PHE A 79 -6.523 -2.139 -4.831 1.00 0.12 H new ATOM 0 HE1 PHE A 79 -3.322 1.059 -6.864 1.00 0.09 H new ATOM 0 HE2 PHE A 79 -6.812 0.300 -4.478 1.00 0.14 H new ATOM 0 HZ PHE A 79 -5.213 1.899 -5.495 1.00 0.12 H new ATOM 1214 N PHE A 80 -3.709 -6.020 -4.312 1.00 0.08 N ATOM 1215 CA PHE A 80 -3.682 -7.509 -4.266 1.00 0.08 C ATOM 1216 C PHE A 80 -5.073 -8.016 -3.905 1.00 0.09 C ATOM 1217 O PHE A 80 -5.764 -7.436 -3.089 1.00 0.12 O ATOM 1218 CB PHE A 80 -2.682 -7.981 -3.212 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.275 -7.750 -3.703 1.00 0.10 C ATOM 1220 CD1 PHE A 80 -0.622 -6.537 -3.446 1.00 0.11 C ATOM 1221 CD2 PHE A 80 -0.617 -8.765 -4.406 1.00 0.12 C ATOM 1222 CE1 PHE A 80 0.688 -6.343 -3.898 1.00 0.13 C ATOM 1223 CE2 PHE A 80 0.693 -8.571 -4.856 1.00 0.14 C ATOM 1224 CZ PHE A 80 1.346 -7.359 -4.601 1.00 0.15 C ATOM 0 H PHE A 80 -4.039 -5.576 -3.455 1.00 0.08 H new ATOM 0 HA PHE A 80 -3.382 -7.898 -5.239 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.844 -7.444 -2.278 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -2.834 -9.040 -3.001 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.128 -5.754 -2.901 1.00 0.11 H new ATOM 0 HD2 PHE A 80 -1.121 -9.700 -4.601 1.00 0.12 H new ATOM 0 HE1 PHE A 80 1.192 -5.408 -3.704 1.00 0.13 H new ATOM 0 HE2 PHE A 80 1.200 -9.355 -5.399 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.358 -7.208 -4.947 1.00 0.15 H new ATOM 1234 N LYS A 81 -5.491 -9.103 -4.493 1.00 0.09 N ATOM 1235 CA LYS A 81 -6.834 -9.662 -4.175 1.00 0.12 C ATOM 1236 C LYS A 81 -6.734 -11.189 -4.274 1.00 0.11 C ATOM 1237 O LYS A 81 -6.263 -11.721 -5.255 1.00 0.13 O ATOM 1238 CB LYS A 81 -7.856 -9.123 -5.189 1.00 0.17 C ATOM 1239 CG LYS A 81 -9.275 -9.281 -4.635 1.00 0.26 C ATOM 1240 CD LYS A 81 -10.306 -8.893 -5.702 1.00 0.73 C ATOM 1241 CE LYS A 81 -11.677 -8.728 -5.042 1.00 1.02 C ATOM 1242 NZ LYS A 81 -12.124 -10.043 -4.504 1.00 1.68 N ATOM 0 H LYS A 81 -4.957 -9.630 -5.184 1.00 0.09 H new ATOM 0 HA LYS A 81 -7.157 -9.374 -3.174 1.00 0.12 H new ATOM 0 HB2 LYS A 81 -7.653 -8.073 -5.399 1.00 0.17 H new ATOM 0 HB3 LYS A 81 -7.763 -9.661 -6.133 1.00 0.17 H new ATOM 0 HG2 LYS A 81 -9.437 -10.312 -4.320 1.00 0.26 H new ATOM 0 HG3 LYS A 81 -9.401 -8.654 -3.752 1.00 0.26 H new ATOM 0 HD2 LYS A 81 -10.010 -7.964 -6.190 1.00 0.73 H new ATOM 0 HD3 LYS A 81 -10.352 -9.659 -6.476 1.00 0.73 H new ATOM 0 HE2 LYS A 81 -11.621 -7.993 -4.239 1.00 1.02 H new ATOM 0 HE3 LYS A 81 -12.400 -8.354 -5.767 1.00 1.02 H new ATOM 0 HZ1 LYS A 81 -13.094 -10.238 -4.825 1.00 1.68 H new ATOM 0 HZ2 LYS A 81 -11.489 -10.792 -4.846 1.00 1.68 H new ATOM 0 HZ3 LYS A 81 -12.102 -10.018 -3.465 1.00 1.68 H new ATOM 1256 N LYS A 82 -7.139 -11.888 -3.249 1.00 0.12 N ATOM 1257 CA LYS A 82 -7.051 -13.382 -3.258 1.00 0.13 C ATOM 1258 C LYS A 82 -5.582 -13.803 -3.426 1.00 0.13 C ATOM 1259 O LYS A 82 -5.290 -14.855 -3.961 1.00 0.17 O ATOM 1260 CB LYS A 82 -7.893 -13.991 -4.394 1.00 0.16 C ATOM 1261 CG LYS A 82 -9.371 -13.620 -4.213 1.00 0.20 C ATOM 1262 CD LYS A 82 -10.255 -14.589 -5.007 1.00 0.32 C ATOM 1263 CE LYS A 82 -11.723 -14.170 -4.879 1.00 0.31 C ATOM 1264 NZ LYS A 82 -12.584 -15.120 -5.642 1.00 1.22 N ATOM 0 H LYS A 82 -7.531 -11.487 -2.397 1.00 0.12 H new ATOM 0 HA LYS A 82 -7.445 -13.752 -2.311 1.00 0.13 H new ATOM 0 HB2 LYS A 82 -7.534 -13.628 -5.357 1.00 0.16 H new ATOM 0 HB3 LYS A 82 -7.780 -15.075 -4.400 1.00 0.16 H new ATOM 0 HG2 LYS A 82 -9.637 -13.655 -3.156 1.00 0.20 H new ATOM 0 HG3 LYS A 82 -9.542 -12.598 -4.551 1.00 0.20 H new ATOM 0 HD2 LYS A 82 -9.958 -14.592 -6.056 1.00 0.32 H new ATOM 0 HD3 LYS A 82 -10.123 -15.605 -4.635 1.00 0.32 H new ATOM 0 HE2 LYS A 82 -12.018 -14.159 -3.830 1.00 0.31 H new ATOM 0 HE3 LYS A 82 -11.857 -13.157 -5.259 1.00 0.31 H new ATOM 0 HZ1 LYS A 82 -13.580 -14.834 -5.554 1.00 1.22 H new ATOM 0 HZ2 LYS A 82 -12.308 -15.110 -6.645 1.00 1.22 H new ATOM 0 HZ3 LYS A 82 -12.465 -16.080 -5.260 1.00 1.22 H new ATOM 1278 N GLY A 83 -4.653 -13.000 -2.972 1.00 0.13 N ATOM 1279 CA GLY A 83 -3.210 -13.369 -3.106 1.00 0.16 C ATOM 1280 C GLY A 83 -2.710 -13.089 -4.527 1.00 0.16 C ATOM 1281 O GLY A 83 -1.658 -13.560 -4.916 1.00 0.23 O ATOM 0 H GLY A 83 -4.831 -12.106 -2.515 1.00 0.13 H new ATOM 0 HA2 GLY A 83 -2.616 -12.803 -2.388 1.00 0.16 H new ATOM 0 HA3 GLY A 83 -3.076 -14.424 -2.869 1.00 0.16 H new ATOM 1285 N GLN A 84 -3.451 -12.336 -5.307 1.00 0.12 N ATOM 1286 CA GLN A 84 -3.017 -12.038 -6.712 1.00 0.15 C ATOM 1287 C GLN A 84 -2.945 -10.528 -6.952 1.00 0.12 C ATOM 1288 O GLN A 84 -3.752 -9.778 -6.460 1.00 0.13 O ATOM 1289 CB GLN A 84 -4.029 -12.647 -7.679 1.00 0.20 C ATOM 1290 CG GLN A 84 -3.947 -14.170 -7.598 1.00 0.33 C ATOM 1291 CD GLN A 84 -4.859 -14.779 -8.658 1.00 0.97 C ATOM 1292 OE1 GLN A 84 -4.522 -15.774 -9.268 1.00 0.95 O ATOM 1293 NE2 GLN A 84 -6.010 -14.220 -8.906 1.00 2.07 N ATOM 0 H GLN A 84 -4.338 -11.915 -5.032 1.00 0.12 H new ATOM 0 HA GLN A 84 -2.026 -12.464 -6.872 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -5.036 -12.311 -7.430 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.824 -12.313 -8.696 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.920 -14.499 -7.753 1.00 0.33 H new ATOM 0 HG3 GLN A 84 -4.245 -14.510 -6.606 1.00 0.33 H new ATOM 0 HE21 GLN A 84 -6.292 -13.385 -8.393 1.00 2.07 H new ATOM 0 HE22 GLN A 84 -6.629 -14.618 -9.613 1.00 2.07 H new ATOM 1302 N LYS A 85 -1.991 -10.091 -7.737 1.00 0.12 N ATOM 1303 CA LYS A 85 -1.858 -8.631 -8.039 1.00 0.12 C ATOM 1304 C LYS A 85 -2.833 -8.259 -9.153 1.00 0.14 C ATOM 1305 O LYS A 85 -2.848 -8.875 -10.202 1.00 0.21 O ATOM 1306 CB LYS A 85 -0.431 -8.355 -8.510 1.00 0.17 C ATOM 1307 CG LYS A 85 -0.226 -6.852 -8.683 1.00 0.20 C ATOM 1308 CD LYS A 85 1.148 -6.602 -9.293 1.00 0.28 C ATOM 1309 CE LYS A 85 1.393 -5.102 -9.385 1.00 1.28 C ATOM 1310 NZ LYS A 85 2.757 -4.862 -9.928 1.00 1.82 N ATOM 0 H LYS A 85 -1.294 -10.687 -8.184 1.00 0.12 H new ATOM 0 HA LYS A 85 -2.078 -8.044 -7.148 1.00 0.12 H new ATOM 0 HB2 LYS A 85 0.283 -8.748 -7.786 1.00 0.17 H new ATOM 0 HB3 LYS A 85 -0.244 -8.868 -9.453 1.00 0.17 H new ATOM 0 HG2 LYS A 85 -1.003 -6.438 -9.325 1.00 0.20 H new ATOM 0 HG3 LYS A 85 -0.307 -6.348 -7.720 1.00 0.20 H new ATOM 0 HD2 LYS A 85 1.920 -7.071 -8.683 1.00 0.28 H new ATOM 0 HD3 LYS A 85 1.206 -7.053 -10.284 1.00 0.28 H new ATOM 0 HE2 LYS A 85 0.646 -4.638 -10.029 1.00 1.28 H new ATOM 0 HE3 LYS A 85 1.295 -4.644 -8.401 1.00 1.28 H new ATOM 0 HZ1 LYS A 85 2.930 -3.838 -9.993 1.00 1.82 H new ATOM 0 HZ2 LYS A 85 3.463 -5.293 -9.297 1.00 1.82 H new ATOM 0 HZ3 LYS A 85 2.834 -5.287 -10.874 1.00 1.82 H new ATOM 1324 N VAL A 86 -3.654 -7.261 -8.930 1.00 0.13 N ATOM 1325 CA VAL A 86 -4.646 -6.841 -9.967 1.00 0.18 C ATOM 1326 C VAL A 86 -4.456 -5.367 -10.332 1.00 0.17 C ATOM 1327 O VAL A 86 -5.278 -4.791 -11.018 1.00 0.22 O ATOM 1328 CB VAL A 86 -6.055 -7.028 -9.406 1.00 0.25 C ATOM 1329 CG1 VAL A 86 -6.377 -8.522 -9.288 1.00 0.30 C ATOM 1330 CG2 VAL A 86 -6.120 -6.387 -8.017 1.00 0.26 C ATOM 0 H VAL A 86 -3.679 -6.716 -8.068 1.00 0.13 H new ATOM 0 HA VAL A 86 -4.500 -7.449 -10.860 1.00 0.18 H new ATOM 0 HB VAL A 86 -6.779 -6.559 -10.073 1.00 0.25 H new ATOM 0 HG11 VAL A 86 -7.383 -8.647 -8.887 1.00 0.30 H new ATOM 0 HG12 VAL A 86 -6.318 -8.986 -10.273 1.00 0.30 H new ATOM 0 HG13 VAL A 86 -5.659 -8.997 -8.620 1.00 0.30 H new ATOM 0 HG21 VAL A 86 -7.121 -6.513 -7.605 1.00 0.26 H new ATOM 0 HG22 VAL A 86 -5.394 -6.867 -7.361 1.00 0.26 H new ATOM 0 HG23 VAL A 86 -5.891 -5.324 -8.096 1.00 0.26 H new ATOM 1340 N GLY A 87 -3.405 -4.736 -9.887 1.00 0.14 N ATOM 1341 CA GLY A 87 -3.239 -3.299 -10.249 1.00 0.17 C ATOM 1342 C GLY A 87 -1.971 -2.710 -9.633 1.00 0.12 C ATOM 1343 O GLY A 87 -1.401 -3.252 -8.706 1.00 0.17 O ATOM 0 H GLY A 87 -2.671 -5.139 -9.304 1.00 0.14 H new ATOM 0 HA2 GLY A 87 -3.199 -3.198 -11.334 1.00 0.17 H new ATOM 0 HA3 GLY A 87 -4.107 -2.734 -9.908 1.00 0.17 H new ATOM 1347 N GLU A 88 -1.539 -1.591 -10.154 1.00 0.11 N ATOM 1348 CA GLU A 88 -0.317 -0.928 -9.622 1.00 0.13 C ATOM 1349 C GLU A 88 -0.217 0.483 -10.215 1.00 0.11 C ATOM 1350 O GLU A 88 -0.593 0.717 -11.346 1.00 0.14 O ATOM 1351 CB GLU A 88 0.912 -1.800 -10.006 1.00 0.21 C ATOM 1352 CG GLU A 88 2.172 -0.960 -10.295 1.00 0.58 C ATOM 1353 CD GLU A 88 2.508 -0.075 -9.097 1.00 1.13 C ATOM 1354 OE1 GLU A 88 1.767 -0.105 -8.132 1.00 1.87 O ATOM 1355 OE2 GLU A 88 3.506 0.620 -9.170 1.00 1.93 O ATOM 0 H GLU A 88 -1.986 -1.106 -10.932 1.00 0.11 H new ATOM 0 HA GLU A 88 -0.355 -0.834 -8.537 1.00 0.13 H new ATOM 0 HB2 GLU A 88 1.124 -2.498 -9.196 1.00 0.21 H new ATOM 0 HB3 GLU A 88 0.668 -2.396 -10.885 1.00 0.21 H new ATOM 0 HG2 GLU A 88 3.012 -1.618 -10.516 1.00 0.58 H new ATOM 0 HG3 GLU A 88 2.010 -0.342 -11.178 1.00 0.58 H new ATOM 1362 N PHE A 89 0.328 1.412 -9.478 1.00 0.10 N ATOM 1363 CA PHE A 89 0.502 2.795 -10.029 1.00 0.09 C ATOM 1364 C PHE A 89 1.421 3.603 -9.111 1.00 0.10 C ATOM 1365 O PHE A 89 1.560 3.303 -7.941 1.00 0.10 O ATOM 1366 CB PHE A 89 -0.862 3.484 -10.207 1.00 0.11 C ATOM 1367 CG PHE A 89 -1.398 4.047 -8.900 1.00 0.10 C ATOM 1368 CD1 PHE A 89 -0.868 5.232 -8.378 1.00 0.11 C ATOM 1369 CD2 PHE A 89 -2.451 3.403 -8.239 1.00 0.12 C ATOM 1370 CE1 PHE A 89 -1.392 5.778 -7.198 1.00 0.13 C ATOM 1371 CE2 PHE A 89 -2.972 3.943 -7.055 1.00 0.13 C ATOM 1372 CZ PHE A 89 -2.445 5.133 -6.535 1.00 0.14 C ATOM 0 H PHE A 89 0.660 1.279 -8.523 1.00 0.10 H new ATOM 0 HA PHE A 89 0.966 2.733 -11.013 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.768 4.289 -10.936 1.00 0.11 H new ATOM 0 HB3 PHE A 89 -1.578 2.769 -10.613 1.00 0.11 H new ATOM 0 HD1 PHE A 89 -0.053 5.727 -8.885 1.00 0.11 H new ATOM 0 HD2 PHE A 89 -2.862 2.489 -8.642 1.00 0.12 H new ATOM 0 HE1 PHE A 89 -0.984 6.695 -6.800 1.00 0.13 H new ATOM 0 HE2 PHE A 89 -3.780 3.442 -6.543 1.00 0.13 H new ATOM 0 HZ PHE A 89 -2.849 5.552 -5.625 1.00 0.14 H new ATOM 1382 N SER A 90 2.064 4.620 -9.642 1.00 0.10 N ATOM 1383 CA SER A 90 3.000 5.457 -8.819 1.00 0.10 C ATOM 1384 C SER A 90 2.619 6.925 -8.930 1.00 0.09 C ATOM 1385 O SER A 90 1.954 7.339 -9.858 1.00 0.11 O ATOM 1386 CB SER A 90 4.433 5.308 -9.327 1.00 0.11 C ATOM 1387 OG SER A 90 4.497 5.733 -10.686 1.00 0.12 O ATOM 0 H SER A 90 1.980 4.908 -10.617 1.00 0.10 H new ATOM 0 HA SER A 90 2.931 5.120 -7.785 1.00 0.10 H new ATOM 0 HB2 SER A 90 5.112 5.903 -8.716 1.00 0.11 H new ATOM 0 HB3 SER A 90 4.755 4.270 -9.243 1.00 0.11 H new ATOM 0 HG SER A 90 5.416 5.640 -11.015 1.00 0.12 H new ATOM 1393 N GLY A 91 3.059 7.717 -7.987 1.00 0.09 N ATOM 1394 CA GLY A 91 2.758 9.180 -8.012 1.00 0.09 C ATOM 1395 C GLY A 91 2.074 9.582 -6.705 1.00 0.10 C ATOM 1396 O GLY A 91 1.262 8.855 -6.171 1.00 0.12 O ATOM 0 H GLY A 91 3.620 7.410 -7.192 1.00 0.09 H new ATOM 0 HA2 GLY A 91 3.678 9.749 -8.143 1.00 0.09 H new ATOM 0 HA3 GLY A 91 2.114 9.415 -8.859 1.00 0.09 H new ATOM 1400 N ALA A 92 2.397 10.735 -6.185 1.00 0.11 N ATOM 1401 CA ALA A 92 1.764 11.171 -4.913 1.00 0.14 C ATOM 1402 C ALA A 92 0.331 11.646 -5.175 1.00 0.13 C ATOM 1403 O ALA A 92 0.004 12.799 -4.976 1.00 0.17 O ATOM 1404 CB ALA A 92 2.573 12.324 -4.321 1.00 0.18 C ATOM 0 H ALA A 92 3.069 11.390 -6.586 1.00 0.11 H new ATOM 0 HA ALA A 92 1.742 10.332 -4.217 1.00 0.14 H new ATOM 0 HB1 ALA A 92 2.114 12.649 -3.387 1.00 0.18 H new ATOM 0 HB2 ALA A 92 3.593 11.991 -4.127 1.00 0.18 H new ATOM 0 HB3 ALA A 92 2.590 13.156 -5.025 1.00 0.18 H new ATOM 1410 N ASN A 93 -0.534 10.749 -5.590 1.00 0.12 N ATOM 1411 CA ASN A 93 -1.966 11.114 -5.840 1.00 0.14 C ATOM 1412 C ASN A 93 -2.853 10.276 -4.916 1.00 0.13 C ATOM 1413 O ASN A 93 -3.157 9.135 -5.201 1.00 0.14 O ATOM 1414 CB ASN A 93 -2.319 10.807 -7.295 1.00 0.16 C ATOM 1415 CG ASN A 93 -3.690 11.404 -7.625 1.00 0.20 C ATOM 1416 OD1 ASN A 93 -4.212 11.193 -8.701 1.00 0.88 O ATOM 1417 ND2 ASN A 93 -4.301 12.139 -6.736 1.00 0.75 N ATOM 0 H ASN A 93 -0.306 9.771 -5.768 1.00 0.12 H new ATOM 0 HA ASN A 93 -2.121 12.175 -5.646 1.00 0.14 H new ATOM 0 HB2 ASN A 93 -1.561 11.221 -7.959 1.00 0.16 H new ATOM 0 HB3 ASN A 93 -2.331 9.729 -7.458 1.00 0.16 H new ATOM 0 HD21 ASN A 93 -5.217 12.536 -6.945 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.863 12.316 -5.832 1.00 0.75 H new ATOM 1424 N LYS A 94 -3.263 10.824 -3.808 1.00 0.14 N ATOM 1425 CA LYS A 94 -4.125 10.061 -2.856 1.00 0.15 C ATOM 1426 C LYS A 94 -5.533 9.828 -3.425 1.00 0.15 C ATOM 1427 O LYS A 94 -6.161 8.825 -3.149 1.00 0.15 O ATOM 1428 CB LYS A 94 -4.227 10.862 -1.559 1.00 0.18 C ATOM 1429 CG LYS A 94 -4.678 12.319 -1.856 1.00 0.18 C ATOM 1430 CD LYS A 94 -3.517 13.294 -1.636 1.00 0.24 C ATOM 1431 CE LYS A 94 -4.032 14.726 -1.749 1.00 0.59 C ATOM 1432 NZ LYS A 94 -2.905 15.675 -1.531 1.00 1.06 N ATOM 0 H LYS A 94 -3.038 11.775 -3.516 1.00 0.14 H new ATOM 0 HA LYS A 94 -3.676 9.084 -2.680 1.00 0.15 H new ATOM 0 HB2 LYS A 94 -4.938 10.385 -0.884 1.00 0.18 H new ATOM 0 HB3 LYS A 94 -3.262 10.869 -1.052 1.00 0.18 H new ATOM 0 HG2 LYS A 94 -5.034 12.394 -2.884 1.00 0.18 H new ATOM 0 HG3 LYS A 94 -5.513 12.587 -1.209 1.00 0.18 H new ATOM 0 HD2 LYS A 94 -3.072 13.132 -0.654 1.00 0.24 H new ATOM 0 HD3 LYS A 94 -2.734 13.118 -2.374 1.00 0.24 H new ATOM 0 HE2 LYS A 94 -4.474 14.889 -2.732 1.00 0.59 H new ATOM 0 HE3 LYS A 94 -4.817 14.901 -1.013 1.00 0.59 H new ATOM 0 HZ1 LYS A 94 -3.254 16.652 -1.608 1.00 1.06 H new ATOM 0 HZ2 LYS A 94 -2.503 15.524 -0.584 1.00 1.06 H new ATOM 0 HZ3 LYS A 94 -2.170 15.512 -2.249 1.00 1.06 H new ATOM 1446 N GLU A 95 -6.035 10.743 -4.209 1.00 0.15 N ATOM 1447 CA GLU A 95 -7.400 10.570 -4.782 1.00 0.15 C ATOM 1448 C GLU A 95 -7.408 9.360 -5.710 1.00 0.15 C ATOM 1449 O GLU A 95 -8.409 8.691 -5.880 1.00 0.16 O ATOM 1450 CB GLU A 95 -7.769 11.826 -5.570 1.00 0.17 C ATOM 1451 CG GLU A 95 -7.803 13.030 -4.624 1.00 0.19 C ATOM 1452 CD GLU A 95 -9.008 12.915 -3.685 1.00 0.86 C ATOM 1453 OE1 GLU A 95 -9.901 12.144 -3.994 1.00 1.61 O ATOM 1454 OE2 GLU A 95 -9.014 13.598 -2.674 1.00 1.55 O ATOM 0 H GLU A 95 -5.558 11.604 -4.478 1.00 0.15 H new ATOM 0 HA GLU A 95 -8.124 10.414 -3.982 1.00 0.15 H new ATOM 0 HB2 GLU A 95 -7.044 11.995 -6.366 1.00 0.17 H new ATOM 0 HB3 GLU A 95 -8.741 11.697 -6.047 1.00 0.17 H new ATOM 0 HG2 GLU A 95 -6.881 13.075 -4.044 1.00 0.19 H new ATOM 0 HG3 GLU A 95 -7.864 13.954 -5.198 1.00 0.19 H new ATOM 1461 N LYS A 96 -6.293 9.089 -6.313 1.00 0.14 N ATOM 1462 CA LYS A 96 -6.190 7.935 -7.241 1.00 0.15 C ATOM 1463 C LYS A 96 -6.501 6.648 -6.482 1.00 0.14 C ATOM 1464 O LYS A 96 -7.097 5.732 -7.012 1.00 0.15 O ATOM 1465 CB LYS A 96 -4.768 7.902 -7.786 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.646 6.893 -8.937 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.394 7.221 -9.764 1.00 0.25 C ATOM 1468 CE LYS A 96 -3.325 6.308 -10.991 1.00 0.82 C ATOM 1469 NZ LYS A 96 -2.072 6.591 -11.744 1.00 1.45 N ATOM 0 H LYS A 96 -5.433 9.626 -6.202 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.900 8.029 -8.063 1.00 0.15 H new ATOM 0 HB2 LYS A 96 -4.485 8.895 -8.136 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -4.075 7.636 -6.988 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.581 5.879 -8.542 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.534 6.933 -9.568 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -3.418 8.265 -10.078 1.00 0.25 H new ATOM 0 HD3 LYS A 96 -2.500 7.092 -9.153 1.00 0.25 H new ATOM 0 HE2 LYS A 96 -3.350 5.263 -10.683 1.00 0.82 H new ATOM 0 HE3 LYS A 96 -4.192 6.472 -11.630 1.00 0.82 H new ATOM 0 HZ1 LYS A 96 -2.021 5.973 -12.579 1.00 1.45 H new ATOM 0 HZ2 LYS A 96 -2.067 7.585 -12.049 1.00 1.45 H new ATOM 0 HZ3 LYS A 96 -1.251 6.413 -11.131 1.00 1.45 H new ATOM 1483 N LEU A 97 -6.110 6.575 -5.243 1.00 0.13 N ATOM 1484 CA LEU A 97 -6.398 5.353 -4.451 1.00 0.13 C ATOM 1485 C LEU A 97 -7.906 5.150 -4.393 1.00 0.14 C ATOM 1486 O LEU A 97 -8.412 4.051 -4.465 1.00 0.15 O ATOM 1487 CB LEU A 97 -5.917 5.552 -3.009 1.00 0.13 C ATOM 1488 CG LEU A 97 -4.388 5.538 -2.934 1.00 0.14 C ATOM 1489 CD1 LEU A 97 -3.963 6.136 -1.584 1.00 0.19 C ATOM 1490 CD2 LEU A 97 -3.848 4.086 -3.075 1.00 0.19 C ATOM 0 H LEU A 97 -5.604 7.308 -4.746 1.00 0.13 H new ATOM 0 HA LEU A 97 -5.897 4.502 -4.913 1.00 0.13 H new ATOM 0 HB2 LEU A 97 -6.295 6.499 -2.623 1.00 0.13 H new ATOM 0 HB3 LEU A 97 -6.323 4.764 -2.374 1.00 0.13 H new ATOM 0 HG LEU A 97 -3.974 6.129 -3.751 1.00 0.14 H new ATOM 0 HD11 LEU A 97 -2.875 6.135 -1.512 1.00 0.19 H new ATOM 0 HD12 LEU A 97 -4.330 7.159 -1.508 1.00 0.19 H new ATOM 0 HD13 LEU A 97 -4.381 5.539 -0.774 1.00 0.19 H new ATOM 0 HD21 LEU A 97 -2.759 4.096 -3.019 1.00 0.19 H new ATOM 0 HD22 LEU A 97 -4.247 3.470 -2.269 1.00 0.19 H new ATOM 0 HD23 LEU A 97 -4.159 3.674 -4.035 1.00 0.19 H new ATOM 1502 N GLU A 98 -8.618 6.222 -4.241 1.00 0.14 N ATOM 1503 CA GLU A 98 -10.104 6.121 -4.129 1.00 0.15 C ATOM 1504 C GLU A 98 -10.707 5.556 -5.415 1.00 0.16 C ATOM 1505 O GLU A 98 -11.636 4.773 -5.381 1.00 0.18 O ATOM 1506 CB GLU A 98 -10.688 7.514 -3.856 1.00 0.18 C ATOM 1507 CG GLU A 98 -12.204 7.418 -3.638 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.782 8.822 -3.450 1.00 1.28 C ATOM 1509 OE1 GLU A 98 -12.009 9.766 -3.464 1.00 2.10 O ATOM 1510 OE2 GLU A 98 -13.987 8.929 -3.290 1.00 2.00 O ATOM 0 H GLU A 98 -8.242 7.169 -4.189 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.349 5.447 -3.308 1.00 0.15 H new ATOM 0 HB2 GLU A 98 -10.213 7.950 -2.977 1.00 0.18 H new ATOM 0 HB3 GLU A 98 -10.475 8.177 -4.695 1.00 0.18 H new ATOM 0 HG2 GLU A 98 -12.675 6.931 -4.492 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -12.418 6.805 -2.763 1.00 0.21 H new ATOM 1517 N ALA A 99 -10.214 5.963 -6.546 1.00 0.16 N ATOM 1518 CA ALA A 99 -10.796 5.463 -7.824 1.00 0.17 C ATOM 1519 C ALA A 99 -10.493 3.977 -8.043 1.00 0.16 C ATOM 1520 O ALA A 99 -11.352 3.218 -8.448 1.00 0.17 O ATOM 1521 CB ALA A 99 -10.218 6.271 -8.985 1.00 0.19 C ATOM 0 H ALA A 99 -9.437 6.617 -6.645 1.00 0.16 H new ATOM 0 HA ALA A 99 -11.878 5.581 -7.773 1.00 0.17 H new ATOM 0 HB1 ALA A 99 -10.639 5.911 -9.924 1.00 0.19 H new ATOM 0 HB2 ALA A 99 -10.468 7.324 -8.855 1.00 0.19 H new ATOM 0 HB3 ALA A 99 -9.134 6.155 -9.005 1.00 0.19 H new ATOM 1527 N THR A 100 -9.284 3.550 -7.804 1.00 0.16 N ATOM 1528 CA THR A 100 -8.953 2.114 -8.038 1.00 0.16 C ATOM 1529 C THR A 100 -9.711 1.237 -7.038 1.00 0.15 C ATOM 1530 O THR A 100 -10.192 0.172 -7.371 1.00 0.15 O ATOM 1531 CB THR A 100 -7.442 1.893 -7.894 1.00 0.17 C ATOM 1532 OG1 THR A 100 -6.753 2.852 -8.680 1.00 0.19 O ATOM 1533 CG2 THR A 100 -7.084 0.489 -8.385 1.00 0.20 C ATOM 0 H THR A 100 -8.516 4.126 -7.460 1.00 0.16 H new ATOM 0 HA THR A 100 -9.253 1.839 -9.049 1.00 0.16 H new ATOM 0 HB THR A 100 -7.155 1.998 -6.848 1.00 0.17 H new ATOM 0 HG1 THR A 100 -5.787 2.716 -8.590 1.00 0.19 H new ATOM 0 HG21 THR A 100 -6.010 0.331 -8.283 1.00 0.20 H new ATOM 0 HG22 THR A 100 -7.618 -0.252 -7.790 1.00 0.20 H new ATOM 0 HG23 THR A 100 -7.368 0.386 -9.432 1.00 0.20 H new ATOM 1541 N ILE A 101 -9.834 1.682 -5.817 1.00 0.14 N ATOM 1542 CA ILE A 101 -10.571 0.874 -4.799 1.00 0.13 C ATOM 1543 C ILE A 101 -12.010 0.696 -5.272 1.00 0.14 C ATOM 1544 O ILE A 101 -12.529 -0.398 -5.313 1.00 0.14 O ATOM 1545 CB ILE A 101 -10.568 1.624 -3.455 1.00 0.14 C ATOM 1546 CG1 ILE A 101 -9.155 1.605 -2.854 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -11.545 0.958 -2.476 1.00 0.15 C ATOM 1548 CD1 ILE A 101 -9.036 2.685 -1.770 1.00 0.16 C ATOM 0 H ILE A 101 -9.458 2.568 -5.479 1.00 0.14 H new ATOM 0 HA ILE A 101 -10.093 -0.098 -4.673 1.00 0.13 H new ATOM 0 HB ILE A 101 -10.879 2.654 -3.627 1.00 0.14 H new ATOM 0 HG12 ILE A 101 -8.945 0.624 -2.428 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -8.415 1.778 -3.636 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -11.535 1.497 -1.529 1.00 0.15 H new ATOM 0 HG22 ILE A 101 -12.551 0.980 -2.895 1.00 0.15 H new ATOM 0 HG23 ILE A 101 -11.244 -0.076 -2.309 1.00 0.15 H new ATOM 0 HD11 ILE A 101 -8.032 2.667 -1.347 1.00 0.16 H new ATOM 0 HD12 ILE A 101 -9.227 3.664 -2.209 1.00 0.16 H new ATOM 0 HD13 ILE A 101 -9.765 2.492 -0.983 1.00 0.16 H new ATOM 1560 N ASN A 102 -12.645 1.768 -5.645 1.00 0.17 N ATOM 1561 CA ASN A 102 -14.045 1.684 -6.141 1.00 0.20 C ATOM 1562 C ASN A 102 -14.084 0.788 -7.372 1.00 0.19 C ATOM 1563 O ASN A 102 -15.029 0.065 -7.613 1.00 0.20 O ATOM 1564 CB ASN A 102 -14.530 3.085 -6.526 1.00 0.25 C ATOM 1565 CG ASN A 102 -15.989 3.022 -6.978 1.00 0.31 C ATOM 1566 OD1 ASN A 102 -16.316 2.346 -7.935 1.00 0.95 O ATOM 1567 ND2 ASN A 102 -16.884 3.725 -6.342 1.00 0.55 N ATOM 0 H ASN A 102 -12.251 2.709 -5.628 1.00 0.17 H new ATOM 0 HA ASN A 102 -14.687 1.273 -5.362 1.00 0.20 H new ATOM 0 HB2 ASN A 102 -14.432 3.760 -5.676 1.00 0.25 H new ATOM 0 HB3 ASN A 102 -13.909 3.488 -7.326 1.00 0.25 H new ATOM 0 HD21 ASN A 102 -17.857 3.708 -6.647 1.00 0.55 H new ATOM 0 HD22 ASN A 102 -16.611 4.292 -5.539 1.00 0.55 H new ATOM 1574 N GLU A 103 -13.063 0.866 -8.170 1.00 0.18 N ATOM 1575 CA GLU A 103 -13.016 0.066 -9.417 1.00 0.18 C ATOM 1576 C GLU A 103 -12.909 -1.429 -9.089 1.00 0.16 C ATOM 1577 O GLU A 103 -13.511 -2.255 -9.750 1.00 0.18 O ATOM 1578 CB GLU A 103 -11.780 0.502 -10.208 1.00 0.19 C ATOM 1579 CG GLU A 103 -11.813 -0.099 -11.619 1.00 0.21 C ATOM 1580 CD GLU A 103 -11.472 -1.589 -11.551 1.00 1.34 C ATOM 1581 OE1 GLU A 103 -10.346 -1.899 -11.203 1.00 2.04 O ATOM 1582 OE2 GLU A 103 -12.341 -2.393 -11.846 1.00 2.21 O ATOM 0 H GLU A 103 -12.248 1.458 -8.009 1.00 0.18 H new ATOM 0 HA GLU A 103 -13.925 0.227 -9.996 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.744 1.590 -10.269 1.00 0.19 H new ATOM 0 HB3 GLU A 103 -10.876 0.182 -9.690 1.00 0.19 H new ATOM 0 HG2 GLU A 103 -12.800 0.039 -12.061 1.00 0.21 H new ATOM 0 HG3 GLU A 103 -11.101 0.418 -12.262 1.00 0.21 H new ATOM 1589 N LEU A 104 -12.129 -1.791 -8.099 1.00 0.14 N ATOM 1590 CA LEU A 104 -11.968 -3.242 -7.759 1.00 0.14 C ATOM 1591 C LEU A 104 -12.855 -3.636 -6.567 1.00 0.13 C ATOM 1592 O LEU A 104 -12.899 -4.790 -6.190 1.00 0.15 O ATOM 1593 CB LEU A 104 -10.508 -3.513 -7.370 1.00 0.14 C ATOM 1594 CG LEU A 104 -9.557 -3.154 -8.520 1.00 0.16 C ATOM 1595 CD1 LEU A 104 -8.118 -3.162 -7.998 1.00 0.17 C ATOM 1596 CD2 LEU A 104 -9.686 -4.172 -9.662 1.00 0.25 C ATOM 0 H LEU A 104 -11.598 -1.147 -7.513 1.00 0.14 H new ATOM 0 HA LEU A 104 -12.259 -3.825 -8.633 1.00 0.14 H new ATOM 0 HB2 LEU A 104 -10.250 -2.932 -6.485 1.00 0.14 H new ATOM 0 HB3 LEU A 104 -10.387 -4.564 -7.108 1.00 0.14 H new ATOM 0 HG LEU A 104 -9.816 -2.166 -8.900 1.00 0.16 H new ATOM 0 HD11 LEU A 104 -7.435 -2.908 -8.809 1.00 0.17 H new ATOM 0 HD12 LEU A 104 -8.018 -2.430 -7.196 1.00 0.17 H new ATOM 0 HD13 LEU A 104 -7.875 -4.154 -7.616 1.00 0.17 H new ATOM 0 HD21 LEU A 104 -9.005 -3.902 -10.469 1.00 0.25 H new ATOM 0 HD22 LEU A 104 -9.435 -5.167 -9.293 1.00 0.25 H new ATOM 0 HD23 LEU A 104 -10.710 -4.171 -10.036 1.00 0.25 H new ATOM 1608 N VAL A 105 -13.543 -2.712 -5.943 1.00 0.14 N ATOM 1609 CA VAL A 105 -14.379 -3.108 -4.766 1.00 0.15 C ATOM 1610 C VAL A 105 -15.490 -4.056 -5.228 1.00 0.16 C ATOM 1611 O VAL A 105 -16.058 -3.807 -6.279 1.00 1.08 O ATOM 1612 CB VAL A 105 -15.000 -1.874 -4.087 1.00 0.17 C ATOM 1613 CG1 VAL A 105 -16.163 -1.323 -4.927 1.00 0.21 C ATOM 1614 CG2 VAL A 105 -15.514 -2.276 -2.697 1.00 0.19 C ATOM 1615 OXT VAL A 105 -15.752 -5.018 -4.524 1.00 1.08 O ATOM 0 H VAL A 105 -13.564 -1.722 -6.189 1.00 0.14 H new ATOM 0 HA VAL A 105 -13.739 -3.610 -4.040 1.00 0.15 H new ATOM 0 HB VAL A 105 -14.241 -1.097 -3.996 1.00 0.17 H new ATOM 0 HG11 VAL A 105 -16.589 -0.451 -4.431 1.00 0.21 H new ATOM 0 HG12 VAL A 105 -15.796 -1.036 -5.913 1.00 0.21 H new ATOM 0 HG13 VAL A 105 -16.930 -2.090 -5.034 1.00 0.21 H new ATOM 0 HG21 VAL A 105 -15.956 -1.408 -2.208 1.00 0.19 H new ATOM 0 HG22 VAL A 105 -16.267 -3.057 -2.799 1.00 0.19 H new ATOM 0 HG23 VAL A 105 -14.684 -2.648 -2.096 1.00 0.19 H new ATOM 1683 N LYS B 63 6.867 14.869 -5.809 1.00 0.19 N ATOM 1684 CA LYS B 63 5.772 13.867 -5.928 1.00 0.14 C ATOM 1685 C LYS B 63 6.360 12.456 -5.840 1.00 0.12 C ATOM 1686 O LYS B 63 5.680 11.521 -5.463 1.00 0.12 O ATOM 1687 CB LYS B 63 5.084 14.036 -7.287 1.00 0.17 C ATOM 1688 CG LYS B 63 4.373 15.395 -7.362 1.00 0.20 C ATOM 1689 CD LYS B 63 3.038 15.357 -6.608 1.00 0.40 C ATOM 1690 CE LYS B 63 2.255 16.631 -6.923 1.00 0.35 C ATOM 1691 NZ LYS B 63 3.027 17.815 -6.447 1.00 1.31 N ATOM 0 HA LYS B 63 5.052 14.016 -5.123 1.00 0.14 H new ATOM 0 HB2 LYS B 63 5.821 13.959 -8.087 1.00 0.17 H new ATOM 0 HB3 LYS B 63 4.363 13.233 -7.439 1.00 0.17 H new ATOM 0 HG2 LYS B 63 5.013 16.169 -6.938 1.00 0.20 H new ATOM 0 HG3 LYS B 63 4.199 15.662 -8.404 1.00 0.20 H new ATOM 0 HD2 LYS B 63 2.463 14.479 -6.903 1.00 0.40 H new ATOM 0 HD3 LYS B 63 3.213 15.278 -5.535 1.00 0.40 H new ATOM 0 HE2 LYS B 63 2.077 16.706 -7.996 1.00 0.35 H new ATOM 0 HE3 LYS B 63 1.279 16.601 -6.439 1.00 0.35 H new ATOM 0 HZ1 LYS B 63 2.405 18.648 -6.424 1.00 1.31 H new ATOM 0 HZ2 LYS B 63 3.393 17.629 -5.492 1.00 1.31 H new ATOM 0 HZ3 LYS B 63 3.822 17.994 -7.094 1.00 1.31 H new ATOM 1705 N ILE B 64 7.605 12.298 -6.222 1.00 0.11 N ATOM 1706 CA ILE B 64 8.268 10.946 -6.192 1.00 0.11 C ATOM 1707 C ILE B 64 9.610 11.031 -5.452 1.00 0.10 C ATOM 1708 O ILE B 64 10.355 11.978 -5.612 1.00 0.11 O ATOM 1709 CB ILE B 64 8.554 10.488 -7.631 1.00 0.12 C ATOM 1710 CG1 ILE B 64 7.242 10.243 -8.395 1.00 0.15 C ATOM 1711 CG2 ILE B 64 9.397 9.204 -7.617 1.00 0.13 C ATOM 1712 CD1 ILE B 64 6.361 9.212 -7.667 1.00 0.15 C ATOM 0 H ILE B 64 8.201 13.055 -6.558 1.00 0.11 H new ATOM 0 HA ILE B 64 7.605 10.245 -5.685 1.00 0.11 H new ATOM 0 HB ILE B 64 9.109 11.277 -8.139 1.00 0.12 H new ATOM 0 HG12 ILE B 64 6.698 11.182 -8.500 1.00 0.15 H new ATOM 0 HG13 ILE B 64 7.464 9.890 -9.402 1.00 0.15 H new ATOM 0 HG21 ILE B 64 9.594 8.887 -8.641 1.00 0.13 H new ATOM 0 HG22 ILE B 64 10.342 9.394 -7.108 1.00 0.13 H new ATOM 0 HG23 ILE B 64 8.854 8.418 -7.092 1.00 0.13 H new ATOM 0 HD11 ILE B 64 5.440 9.058 -8.230 1.00 0.15 H new ATOM 0 HD12 ILE B 64 6.898 8.267 -7.586 1.00 0.15 H new ATOM 0 HD13 ILE B 64 6.120 9.579 -6.669 1.00 0.15 H new ATOM 1724 N CYS B 65 9.946 10.026 -4.676 1.00 0.09 N ATOM 1725 CA CYS B 65 11.268 10.019 -3.974 1.00 0.10 C ATOM 1726 C CYS B 65 12.192 9.092 -4.777 1.00 0.10 C ATOM 1727 O CYS B 65 11.830 7.975 -5.091 1.00 0.11 O ATOM 1728 CB CYS B 65 11.137 9.481 -2.535 1.00 0.10 C ATOM 1729 SG CYS B 65 9.687 10.192 -1.707 1.00 0.19 S ATOM 0 H CYS B 65 9.360 9.210 -4.499 1.00 0.09 H new ATOM 0 HA CYS B 65 11.660 11.034 -3.911 1.00 0.10 H new ATOM 0 HB2 CYS B 65 11.053 8.394 -2.555 1.00 0.10 H new ATOM 0 HB3 CYS B 65 12.038 9.721 -1.970 1.00 0.10 H new ATOM 1734 N SER B 66 13.362 9.542 -5.142 1.00 0.12 N ATOM 1735 CA SER B 66 14.269 8.669 -5.951 1.00 0.14 C ATOM 1736 C SER B 66 14.987 7.661 -5.048 1.00 0.14 C ATOM 1737 O SER B 66 15.394 7.968 -3.942 1.00 0.15 O ATOM 1738 CB SER B 66 15.304 9.532 -6.672 1.00 0.18 C ATOM 1739 OG SER B 66 14.635 10.414 -7.560 1.00 0.20 O ATOM 0 H SER B 66 13.729 10.467 -4.919 1.00 0.12 H new ATOM 0 HA SER B 66 13.670 8.125 -6.681 1.00 0.14 H new ATOM 0 HB2 SER B 66 15.890 10.099 -5.949 1.00 0.18 H new ATOM 0 HB3 SER B 66 16.002 8.901 -7.223 1.00 0.18 H new ATOM 0 HG SER B 66 15.293 10.972 -8.025 1.00 0.20 H new ATOM 1745 N TRP B 67 15.147 6.455 -5.516 1.00 0.15 N ATOM 1746 CA TRP B 67 15.835 5.415 -4.701 1.00 0.16 C ATOM 1747 C TRP B 67 17.340 5.694 -4.690 1.00 0.19 C ATOM 1748 O TRP B 67 18.084 5.125 -3.917 1.00 0.21 O ATOM 1749 CB TRP B 67 15.555 4.029 -5.288 1.00 0.16 C ATOM 1750 CG TRP B 67 14.113 3.700 -5.071 1.00 0.14 C ATOM 1751 CD1 TRP B 67 13.079 4.434 -5.534 1.00 0.13 C ATOM 1752 CD2 TRP B 67 13.524 2.581 -4.344 1.00 0.14 C ATOM 1753 NE1 TRP B 67 11.902 3.840 -5.144 1.00 0.13 N ATOM 1754 CE2 TRP B 67 12.122 2.702 -4.403 1.00 0.13 C ATOM 1755 CE3 TRP B 67 14.061 1.488 -3.647 1.00 0.16 C ATOM 1756 CZ2 TRP B 67 11.285 1.780 -3.790 1.00 0.14 C ATOM 1757 CZ3 TRP B 67 13.217 0.554 -3.030 1.00 0.17 C ATOM 1758 CH2 TRP B 67 11.830 0.704 -3.102 1.00 0.16 C ATOM 0 H TRP B 67 14.829 6.143 -6.434 1.00 0.15 H new ATOM 0 HA TRP B 67 15.460 5.443 -3.678 1.00 0.16 H new ATOM 0 HB2 TRP B 67 15.790 4.015 -6.352 1.00 0.16 H new ATOM 0 HB3 TRP B 67 16.189 3.281 -4.811 1.00 0.16 H new ATOM 0 HD1 TRP B 67 13.163 5.340 -6.116 1.00 0.13 H new ATOM 0 HE1 TRP B 67 10.976 4.200 -5.376 1.00 0.13 H new ATOM 0 HE3 TRP B 67 15.132 1.365 -3.585 1.00 0.16 H new ATOM 0 HZ2 TRP B 67 10.213 1.899 -3.848 1.00 0.14 H new ATOM 0 HZ3 TRP B 67 13.641 -0.284 -2.497 1.00 0.17 H new ATOM 0 HH2 TRP B 67 11.183 -0.016 -2.623 1.00 0.16 H new ATOM 1769 N ASN B 68 17.795 6.576 -5.541 1.00 0.23 N ATOM 1770 CA ASN B 68 19.248 6.893 -5.582 1.00 0.27 C ATOM 1771 C ASN B 68 19.724 7.222 -4.166 1.00 0.26 C ATOM 1772 O ASN B 68 20.906 7.300 -3.899 1.00 0.30 O ATOM 1773 CB ASN B 68 19.483 8.109 -6.490 1.00 0.34 C ATOM 1774 CG ASN B 68 19.215 7.721 -7.948 1.00 0.40 C ATOM 1775 OD1 ASN B 68 19.413 8.515 -8.846 1.00 0.49 O ATOM 1776 ND2 ASN B 68 18.769 6.523 -8.222 1.00 0.40 N ATOM 0 H ASN B 68 17.220 7.090 -6.209 1.00 0.23 H new ATOM 0 HA ASN B 68 19.800 6.038 -5.972 1.00 0.27 H new ATOM 0 HB2 ASN B 68 18.827 8.928 -6.195 1.00 0.34 H new ATOM 0 HB3 ASN B 68 20.507 8.465 -6.380 1.00 0.34 H new ATOM 0 HD21 ASN B 68 18.587 6.255 -9.189 1.00 0.40 H new ATOM 0 HD22 ASN B 68 18.603 5.856 -7.468 1.00 0.40 H new