USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 919 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 LYS NZ :NH3+ 156:sc= -1.51 (180deg=-2.59!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.769 K(o=-2.3,f=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.0362 (180deg=-0.668) USER MOD Single : A 3 LYS NZ :NH3+ -120:sc= -2.22 (180deg=-4.12!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 7 SER OG : rot 180:sc= 0 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= -0.459 X(o=-0.46,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 43:sc= -0.185 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+ -137:sc= -1.39 (180deg=-3.77!) USER MOD Single : A 43 HIS : no HD1:sc= -0.826 K(o=-0.83,f=-0.22) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 104:sc= 1.22 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -3.58! K(o=-3.6!,f=-1.9) USER MOD Single : A 63 GLN : amide:sc= 0.0803 X(o=0.08,f=0) USER MOD Single : A 67 SER OG : rot 98:sc= 1.04 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.935 USER MOD Single : A 76 THR OG1 : rot -35:sc= -3.26! USER MOD Single : A 78 GLN : amide:sc= -4.01! C(o=-4!,f=-3.9!) USER MOD Single : A 81 LYS NZ :NH3+ -146:sc= 0.403 (180deg=-0.61) USER MOD Single : A 85 LYS NZ :NH3+ -158:sc= 0.036 (180deg=0) USER MOD Single : A 90 SER OG : rot 125:sc= 1.24 USER MOD Single : A 93 ASN : amide:sc= -0.863 K(o=-0.86,f=-7.2!) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.543) USER MOD Single : A 96 LYS NZ :NH3+ 176:sc= -2.37! (180deg=-2.57) USER MOD Single : A 100 THR OG1 : rot -162:sc= 0.12 USER MOD Single : A 102 ASN : amide:sc= -1.28 K(o=-1.3,f=-1.8!) USER MOD Single : B 1 PHE N :NH3+ -142:sc= 1.16 (180deg=0.264) USER MOD Single : B 5 TYR OH : rot 10:sc= -2.08 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 12 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.254 -3.167 8.839 1.00 0.73 N ATOM 2 CA MET A 1 -6.175 -2.404 9.530 1.00 0.31 C ATOM 3 C MET A 1 -4.950 -2.312 8.620 1.00 0.24 C ATOM 4 O MET A 1 -5.001 -2.662 7.457 1.00 0.21 O ATOM 5 CB MET A 1 -5.785 -3.126 10.821 1.00 0.70 C ATOM 6 CG MET A 1 -6.989 -3.192 11.762 1.00 1.55 C ATOM 7 SD MET A 1 -6.537 -4.118 13.250 1.00 2.25 S ATOM 8 CE MET A 1 -8.075 -3.850 14.165 1.00 2.89 C ATOM 0 H1 MET A 1 -8.175 -2.730 9.045 1.00 0.73 H new ATOM 0 H2 MET A 1 -7.086 -3.154 7.813 1.00 0.73 H new ATOM 0 H3 MET A 1 -7.255 -4.151 9.177 1.00 0.73 H new ATOM 0 HA MET A 1 -6.536 -1.402 9.763 1.00 0.31 H new ATOM 0 HB2 MET A 1 -5.434 -4.133 10.594 1.00 0.70 H new ATOM 0 HB3 MET A 1 -4.961 -2.603 11.306 1.00 0.70 H new ATOM 0 HG2 MET A 1 -7.311 -2.186 12.030 1.00 1.55 H new ATOM 0 HG3 MET A 1 -7.830 -3.673 11.262 1.00 1.55 H new ATOM 0 HE1 MET A 1 -8.013 -4.346 15.134 1.00 2.89 H new ATOM 0 HE2 MET A 1 -8.229 -2.781 14.313 1.00 2.89 H new ATOM 0 HE3 MET A 1 -8.911 -4.262 13.600 1.00 2.89 H new ATOM 20 N VAL A 2 -3.846 -1.851 9.145 1.00 0.24 N ATOM 21 CA VAL A 2 -2.603 -1.742 8.325 1.00 0.19 C ATOM 22 C VAL A 2 -1.762 -3.006 8.531 1.00 0.22 C ATOM 23 O VAL A 2 -2.037 -3.805 9.404 1.00 0.28 O ATOM 24 CB VAL A 2 -1.807 -0.511 8.776 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.586 -0.305 7.868 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.709 0.727 8.706 1.00 0.30 C ATOM 0 H VAL A 2 -3.751 -1.543 10.113 1.00 0.24 H new ATOM 0 HA VAL A 2 -2.857 -1.639 7.270 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.464 -0.664 9.799 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.030 0.572 8.199 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.058 -1.183 7.919 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.918 -0.157 6.840 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.148 1.605 9.026 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -3.053 0.869 7.681 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.569 0.588 9.361 1.00 0.30 H new ATOM 36 N LYS A 3 -0.742 -3.199 7.739 1.00 0.18 N ATOM 37 CA LYS A 3 0.109 -4.416 7.898 1.00 0.22 C ATOM 38 C LYS A 3 1.510 -4.135 7.354 1.00 0.16 C ATOM 39 O LYS A 3 1.679 -3.732 6.221 1.00 0.13 O ATOM 40 CB LYS A 3 -0.506 -5.588 7.125 1.00 0.26 C ATOM 41 CG LYS A 3 0.214 -6.890 7.495 1.00 0.34 C ATOM 42 CD LYS A 3 -0.588 -8.087 6.977 1.00 0.81 C ATOM 43 CE LYS A 3 0.239 -9.366 7.126 1.00 1.37 C ATOM 44 NZ LYS A 3 1.324 -9.375 6.106 1.00 1.97 N ATOM 0 H LYS A 3 -0.460 -2.568 6.989 1.00 0.18 H new ATOM 0 HA LYS A 3 0.169 -4.672 8.956 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.568 -5.671 7.356 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.426 -5.410 6.053 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.216 -6.898 7.066 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.330 -6.958 8.577 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.521 -8.179 7.532 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -0.853 -7.934 5.931 1.00 0.81 H new ATOM 0 HE2 LYS A 3 0.666 -9.422 8.127 1.00 1.37 H new ATOM 0 HE3 LYS A 3 -0.399 -10.241 7.002 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.216 -10.207 5.492 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.267 -8.510 5.531 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 2.248 -9.413 6.582 1.00 1.97 H new ATOM 58 N GLN A 4 2.518 -4.344 8.158 1.00 0.18 N ATOM 59 CA GLN A 4 3.914 -4.087 7.698 1.00 0.15 C ATOM 60 C GLN A 4 4.484 -5.353 7.054 1.00 0.13 C ATOM 61 O GLN A 4 4.432 -6.429 7.617 1.00 0.14 O ATOM 62 CB GLN A 4 4.771 -3.680 8.904 1.00 0.20 C ATOM 63 CG GLN A 4 6.267 -3.764 8.549 1.00 0.21 C ATOM 64 CD GLN A 4 7.086 -2.942 9.547 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.709 -2.802 10.694 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.201 -2.388 9.156 1.00 0.98 N ATOM 0 H GLN A 4 2.435 -4.683 9.117 1.00 0.18 H new ATOM 0 HA GLN A 4 3.919 -3.284 6.961 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.520 -2.665 9.211 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.554 -4.332 9.750 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.596 -4.803 8.564 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.431 -3.393 7.537 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.518 -2.505 8.194 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.755 -1.838 9.813 1.00 0.98 H new ATOM 75 N ILE A 5 5.043 -5.220 5.880 1.00 0.10 N ATOM 76 CA ILE A 5 5.646 -6.393 5.175 1.00 0.10 C ATOM 77 C ILE A 5 7.167 -6.286 5.289 1.00 0.10 C ATOM 78 O ILE A 5 7.776 -5.416 4.699 1.00 0.11 O ATOM 79 CB ILE A 5 5.265 -6.345 3.694 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.762 -6.034 3.516 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.636 -7.667 3.009 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.868 -6.972 4.343 1.00 0.19 C ATOM 0 H ILE A 5 5.109 -4.338 5.372 1.00 0.10 H new ATOM 0 HA ILE A 5 5.287 -7.322 5.618 1.00 0.10 H new ATOM 0 HB ILE A 5 5.826 -5.539 3.221 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.570 -5.002 3.809 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.498 -6.121 2.462 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.360 -7.621 1.956 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.710 -7.833 3.096 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.102 -8.488 3.488 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.822 -6.712 4.183 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.037 -8.003 4.033 1.00 0.19 H new ATOM 0 HD13 ILE A 5 3.110 -6.867 5.401 1.00 0.19 H new ATOM 94 N GLU A 6 7.787 -7.150 6.046 1.00 0.11 N ATOM 95 CA GLU A 6 9.272 -7.083 6.204 1.00 0.14 C ATOM 96 C GLU A 6 9.931 -8.124 5.295 1.00 0.14 C ATOM 97 O GLU A 6 11.130 -8.120 5.098 1.00 0.17 O ATOM 98 CB GLU A 6 9.625 -7.377 7.661 1.00 0.18 C ATOM 99 CG GLU A 6 8.744 -6.536 8.584 1.00 0.31 C ATOM 100 CD GLU A 6 9.216 -6.696 10.029 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.801 -7.651 10.665 1.00 1.97 O ATOM 102 OE2 GLU A 6 9.986 -5.862 10.476 1.00 1.96 O ATOM 0 H GLU A 6 7.330 -7.901 6.563 1.00 0.11 H new ATOM 0 HA GLU A 6 9.631 -6.091 5.929 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.483 -8.437 7.873 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.676 -7.154 7.843 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.789 -5.487 8.290 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.703 -6.848 8.494 1.00 0.31 H new ATOM 109 N SER A 7 9.157 -9.014 4.733 1.00 0.13 N ATOM 110 CA SER A 7 9.737 -10.050 3.829 1.00 0.15 C ATOM 111 C SER A 7 8.670 -10.507 2.832 1.00 0.14 C ATOM 112 O SER A 7 7.486 -10.459 3.103 1.00 0.12 O ATOM 113 CB SER A 7 10.221 -11.241 4.660 1.00 0.20 C ATOM 114 OG SER A 7 9.255 -11.546 5.656 1.00 0.23 O ATOM 0 H SER A 7 8.147 -9.068 4.861 1.00 0.13 H new ATOM 0 HA SER A 7 10.582 -9.630 3.283 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.381 -12.106 4.017 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.179 -11.008 5.126 1.00 0.20 H new ATOM 0 HG SER A 7 9.563 -12.310 6.188 1.00 0.23 H new ATOM 120 N LYS A 8 9.084 -10.948 1.677 1.00 0.15 N ATOM 121 CA LYS A 8 8.105 -11.405 0.651 1.00 0.14 C ATOM 122 C LYS A 8 7.140 -12.420 1.271 1.00 0.14 C ATOM 123 O LYS A 8 6.040 -12.618 0.796 1.00 0.13 O ATOM 124 CB LYS A 8 8.869 -12.052 -0.512 1.00 0.17 C ATOM 125 CG LYS A 8 7.986 -12.114 -1.767 1.00 0.21 C ATOM 126 CD LYS A 8 8.847 -12.419 -3.000 1.00 0.22 C ATOM 127 CE LYS A 8 9.687 -13.676 -2.757 1.00 1.06 C ATOM 128 NZ LYS A 8 10.218 -14.176 -4.057 1.00 1.90 N ATOM 0 H LYS A 8 10.063 -11.012 1.398 1.00 0.15 H new ATOM 0 HA LYS A 8 7.531 -10.554 0.284 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.773 -11.481 -0.724 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.185 -13.057 -0.233 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.223 -12.883 -1.647 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.465 -11.166 -1.902 1.00 0.21 H new ATOM 0 HD2 LYS A 8 8.209 -12.561 -3.872 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.499 -11.573 -3.216 1.00 0.22 H new ATOM 0 HE2 LYS A 8 10.510 -13.451 -2.078 1.00 1.06 H new ATOM 0 HE3 LYS A 8 9.080 -14.445 -2.279 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 10.789 -15.030 -3.894 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.426 -14.405 -4.691 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 10.811 -13.442 -4.495 1.00 1.90 H new ATOM 142 N THR A 9 7.543 -13.066 2.328 1.00 0.16 N ATOM 143 CA THR A 9 6.647 -14.062 2.974 1.00 0.18 C ATOM 144 C THR A 9 5.361 -13.370 3.432 1.00 0.16 C ATOM 145 O THR A 9 4.267 -13.847 3.199 1.00 0.17 O ATOM 146 CB THR A 9 7.357 -14.675 4.178 1.00 0.21 C ATOM 147 OG1 THR A 9 8.647 -15.125 3.787 1.00 0.24 O ATOM 148 CG2 THR A 9 6.542 -15.854 4.711 1.00 0.25 C ATOM 0 H THR A 9 8.454 -12.947 2.772 1.00 0.16 H new ATOM 0 HA THR A 9 6.399 -14.848 2.261 1.00 0.18 H new ATOM 0 HB THR A 9 7.456 -13.924 4.961 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.105 -15.517 4.560 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.052 -16.290 5.571 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.554 -15.507 5.013 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.439 -16.608 3.930 1.00 0.25 H new ATOM 156 N ALA A 10 5.486 -12.249 4.088 1.00 0.16 N ATOM 157 CA ALA A 10 4.280 -11.519 4.570 1.00 0.17 C ATOM 158 C ALA A 10 3.540 -10.893 3.384 1.00 0.15 C ATOM 159 O ALA A 10 2.355 -10.634 3.450 1.00 0.17 O ATOM 160 CB ALA A 10 4.713 -10.419 5.544 1.00 0.20 C ATOM 0 H ALA A 10 6.377 -11.805 4.312 1.00 0.16 H new ATOM 0 HA ALA A 10 3.613 -12.217 5.076 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.834 -9.881 5.900 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.232 -10.867 6.391 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.381 -9.725 5.035 1.00 0.20 H new ATOM 166 N PHE A 11 4.226 -10.638 2.304 1.00 0.12 N ATOM 167 CA PHE A 11 3.552 -10.016 1.127 1.00 0.11 C ATOM 168 C PHE A 11 2.403 -10.905 0.653 1.00 0.13 C ATOM 169 O PHE A 11 1.249 -10.546 0.758 1.00 0.16 O ATOM 170 CB PHE A 11 4.557 -9.837 -0.018 1.00 0.10 C ATOM 171 CG PHE A 11 3.850 -9.251 -1.222 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.396 -7.921 -1.187 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.643 -10.033 -2.374 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.737 -7.373 -2.301 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.984 -9.482 -3.488 1.00 0.18 C ATOM 176 CZ PHE A 11 2.532 -8.153 -3.451 1.00 0.21 C ATOM 0 H PHE A 11 5.220 -10.832 2.185 1.00 0.12 H new ATOM 0 HA PHE A 11 3.160 -9.043 1.423 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.369 -9.181 0.296 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.005 -10.797 -0.277 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.554 -7.320 -0.304 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.990 -11.055 -2.403 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.388 -6.351 -2.273 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.826 -10.081 -4.372 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.027 -7.731 -4.307 1.00 0.21 H new ATOM 186 N GLN A 12 2.710 -12.054 0.119 1.00 0.15 N ATOM 187 CA GLN A 12 1.630 -12.951 -0.380 1.00 0.19 C ATOM 188 C GLN A 12 0.623 -13.221 0.739 1.00 0.17 C ATOM 189 O GLN A 12 -0.575 -13.191 0.529 1.00 0.16 O ATOM 190 CB GLN A 12 2.243 -14.275 -0.839 1.00 0.24 C ATOM 191 CG GLN A 12 3.107 -14.037 -2.077 1.00 1.21 C ATOM 192 CD GLN A 12 3.623 -15.377 -2.604 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.788 -15.510 -2.923 1.00 2.35 O ATOM 194 NE2 GLN A 12 2.799 -16.384 -2.709 1.00 2.47 N ATOM 0 H GLN A 12 3.659 -12.410 0.007 1.00 0.15 H new ATOM 0 HA GLN A 12 1.121 -12.471 -1.216 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.846 -14.705 -0.039 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.455 -14.993 -1.065 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.526 -13.531 -2.847 1.00 1.21 H new ATOM 0 HG3 GLN A 12 3.944 -13.385 -1.829 1.00 1.21 H new ATOM 0 HE21 GLN A 12 1.821 -16.273 -2.441 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.133 -17.282 -3.059 1.00 2.47 H new ATOM 203 N GLU A 13 1.094 -13.491 1.921 1.00 0.19 N ATOM 204 CA GLU A 13 0.165 -13.772 3.048 1.00 0.20 C ATOM 205 C GLU A 13 -0.761 -12.574 3.279 1.00 0.18 C ATOM 206 O GLU A 13 -1.923 -12.733 3.595 1.00 0.19 O ATOM 207 CB GLU A 13 0.982 -14.052 4.314 1.00 0.25 C ATOM 208 CG GLU A 13 1.573 -15.466 4.254 1.00 0.30 C ATOM 209 CD GLU A 13 0.457 -16.499 4.423 1.00 1.29 C ATOM 210 OE1 GLU A 13 0.146 -16.825 5.557 1.00 2.10 O ATOM 211 OE2 GLU A 13 -0.067 -16.947 3.417 1.00 2.03 O ATOM 0 H GLU A 13 2.086 -13.530 2.157 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.445 -14.642 2.806 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.782 -13.318 4.410 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.349 -13.951 5.195 1.00 0.25 H new ATOM 0 HG2 GLU A 13 2.081 -15.618 3.302 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.320 -15.592 5.038 1.00 0.30 H new ATOM 218 N ALA A 14 -0.264 -11.377 3.130 1.00 0.18 N ATOM 219 CA ALA A 14 -1.132 -10.187 3.349 1.00 0.18 C ATOM 220 C ALA A 14 -2.311 -10.233 2.368 1.00 0.18 C ATOM 221 O ALA A 14 -3.448 -10.006 2.734 1.00 0.19 O ATOM 222 CB ALA A 14 -0.313 -8.917 3.116 1.00 0.20 C ATOM 0 H ALA A 14 0.700 -11.172 2.868 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.513 -10.189 4.370 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.944 -8.043 3.275 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.525 -8.891 3.813 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.065 -8.910 2.094 1.00 0.20 H new ATOM 228 N LEU A 15 -2.042 -10.531 1.126 1.00 0.17 N ATOM 229 CA LEU A 15 -3.131 -10.601 0.105 1.00 0.18 C ATOM 230 C LEU A 15 -4.088 -11.746 0.444 1.00 0.18 C ATOM 231 O LEU A 15 -5.292 -11.607 0.358 1.00 0.18 O ATOM 232 CB LEU A 15 -2.513 -10.842 -1.278 1.00 0.19 C ATOM 233 CG LEU A 15 -1.272 -9.960 -1.460 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.708 -10.168 -2.868 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.652 -8.486 -1.275 1.00 0.62 C ATOM 0 H LEU A 15 -1.107 -10.731 0.770 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.685 -9.662 0.102 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.242 -11.892 -1.386 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.244 -10.620 -2.056 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.521 -10.233 -0.718 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.175 -9.543 -3.002 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.435 -11.215 -2.999 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.462 -9.894 -3.606 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.767 -7.863 -1.405 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.403 -8.208 -2.014 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -2.056 -8.337 -0.274 1.00 0.62 H new ATOM 247 N ASP A 16 -3.566 -12.881 0.817 1.00 0.19 N ATOM 248 CA ASP A 16 -4.451 -14.033 1.146 1.00 0.21 C ATOM 249 C ASP A 16 -5.316 -13.691 2.361 1.00 0.20 C ATOM 250 O ASP A 16 -6.475 -14.049 2.428 1.00 0.20 O ATOM 251 CB ASP A 16 -3.591 -15.259 1.459 1.00 0.24 C ATOM 252 CG ASP A 16 -4.495 -16.441 1.817 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.055 -17.029 0.907 1.00 1.09 O ATOM 254 OD2 ASP A 16 -4.614 -16.735 2.995 1.00 1.07 O ATOM 0 H ASP A 16 -2.566 -13.061 0.908 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.098 -14.247 0.295 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.970 -15.510 0.599 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.916 -15.041 2.286 1.00 0.24 H new ATOM 259 N ALA A 17 -4.763 -13.007 3.328 1.00 0.22 N ATOM 260 CA ALA A 17 -5.557 -12.653 4.539 1.00 0.24 C ATOM 261 C ALA A 17 -6.460 -11.454 4.239 1.00 0.21 C ATOM 262 O ALA A 17 -7.387 -11.168 4.970 1.00 0.22 O ATOM 263 CB ALA A 17 -4.606 -12.297 5.683 1.00 0.30 C ATOM 0 H ALA A 17 -3.797 -12.679 3.331 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.174 -13.505 4.824 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.184 -12.038 6.570 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.967 -13.152 5.904 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.988 -11.448 5.392 1.00 0.30 H new ATOM 269 N ALA A 18 -6.199 -10.748 3.171 1.00 0.21 N ATOM 270 CA ALA A 18 -7.048 -9.569 2.836 1.00 0.22 C ATOM 271 C ALA A 18 -8.443 -10.041 2.417 1.00 0.21 C ATOM 272 O ALA A 18 -9.354 -9.253 2.259 1.00 0.24 O ATOM 273 CB ALA A 18 -6.407 -8.784 1.690 1.00 0.23 C ATOM 0 H ALA A 18 -5.438 -10.936 2.519 1.00 0.21 H new ATOM 0 HA ALA A 18 -7.133 -8.926 3.712 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -7.029 -7.923 1.446 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.417 -8.443 1.992 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.318 -9.426 0.814 1.00 0.23 H new ATOM 279 N GLY A 19 -8.620 -11.321 2.240 1.00 0.22 N ATOM 280 CA GLY A 19 -9.958 -11.840 1.836 1.00 0.24 C ATOM 281 C GLY A 19 -10.258 -11.435 0.391 1.00 0.20 C ATOM 282 O GLY A 19 -9.705 -11.984 -0.543 1.00 0.28 O ATOM 0 H GLY A 19 -7.897 -12.030 2.357 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.981 -12.926 1.931 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.727 -11.446 2.501 1.00 0.24 H new ATOM 286 N ASP A 20 -11.139 -10.486 0.199 1.00 0.13 N ATOM 287 CA ASP A 20 -11.493 -10.045 -1.187 1.00 0.18 C ATOM 288 C ASP A 20 -11.636 -8.517 -1.215 1.00 0.15 C ATOM 289 O ASP A 20 -11.965 -7.937 -2.231 1.00 0.22 O ATOM 290 CB ASP A 20 -12.822 -10.706 -1.620 1.00 0.26 C ATOM 291 CG ASP A 20 -13.549 -11.274 -0.399 1.00 1.43 C ATOM 292 OD1 ASP A 20 -13.073 -12.258 0.144 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.570 -10.719 -0.027 1.00 2.19 O ATOM 0 H ASP A 20 -11.631 -9.995 0.945 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.705 -10.346 -1.877 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.455 -9.974 -2.122 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.624 -11.502 -2.338 1.00 0.26 H new ATOM 298 N LYS A 21 -11.389 -7.858 -0.116 1.00 0.12 N ATOM 299 CA LYS A 21 -11.509 -6.374 -0.101 1.00 0.19 C ATOM 300 C LYS A 21 -10.374 -5.774 -0.930 1.00 0.15 C ATOM 301 O LYS A 21 -9.416 -6.442 -1.266 1.00 0.15 O ATOM 302 CB LYS A 21 -11.411 -5.872 1.344 1.00 0.27 C ATOM 303 CG LYS A 21 -12.762 -6.055 2.048 1.00 0.29 C ATOM 304 CD LYS A 21 -12.572 -5.955 3.565 1.00 0.30 C ATOM 305 CE LYS A 21 -13.927 -5.742 4.240 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.784 -5.932 5.711 1.00 1.90 N ATOM 0 H LYS A 21 -11.110 -8.282 0.769 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.468 -6.075 -0.523 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.635 -6.420 1.878 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.124 -4.821 1.355 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.465 -5.294 1.709 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.190 -7.023 1.789 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.105 -6.864 3.944 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.902 -5.129 3.804 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.298 -4.740 4.026 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.659 -6.445 3.841 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.705 -5.787 6.171 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.448 -6.897 5.905 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.099 -5.245 6.085 1.00 1.90 H new ATOM 320 N LEU A 22 -10.467 -4.517 -1.257 1.00 0.13 N ATOM 321 CA LEU A 22 -9.388 -3.885 -2.056 1.00 0.11 C ATOM 322 C LEU A 22 -8.091 -3.940 -1.236 1.00 0.10 C ATOM 323 O LEU A 22 -8.121 -4.128 -0.037 1.00 0.11 O ATOM 324 CB LEU A 22 -9.775 -2.421 -2.343 1.00 0.12 C ATOM 325 CG LEU A 22 -9.488 -2.033 -3.808 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.814 -0.536 -4.013 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.014 -2.300 -4.151 1.00 0.11 C ATOM 0 H LEU A 22 -11.242 -3.903 -1.006 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.245 -4.406 -3.003 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.834 -2.275 -2.128 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.221 -1.760 -1.676 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.112 -2.636 -4.467 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.612 -0.258 -5.047 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.866 -0.359 -3.788 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.194 0.066 -3.348 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.826 -2.022 -5.188 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.375 -1.709 -3.495 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.795 -3.359 -4.014 1.00 0.11 H new ATOM 339 N VAL A 23 -6.955 -3.774 -1.863 1.00 0.08 N ATOM 340 CA VAL A 23 -5.668 -3.812 -1.104 1.00 0.09 C ATOM 341 C VAL A 23 -4.680 -2.829 -1.733 1.00 0.08 C ATOM 342 O VAL A 23 -4.165 -3.059 -2.810 1.00 0.09 O ATOM 343 CB VAL A 23 -5.078 -5.225 -1.154 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.875 -5.311 -0.211 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.141 -6.241 -0.726 1.00 0.10 C ATOM 0 H VAL A 23 -6.862 -3.614 -2.866 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.854 -3.535 -0.066 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.756 -5.447 -2.171 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.456 -6.316 -0.247 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.118 -4.591 -0.521 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.194 -5.087 0.807 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.720 -7.246 -0.762 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.467 -6.020 0.291 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.994 -6.181 -1.401 1.00 0.10 H new ATOM 355 N VAL A 24 -4.405 -1.737 -1.062 1.00 0.08 N ATOM 356 CA VAL A 24 -3.441 -0.733 -1.605 1.00 0.08 C ATOM 357 C VAL A 24 -2.115 -0.867 -0.858 1.00 0.08 C ATOM 358 O VAL A 24 -2.082 -0.972 0.352 1.00 0.08 O ATOM 359 CB VAL A 24 -4.007 0.679 -1.416 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.250 1.662 -2.312 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.494 0.687 -1.784 1.00 0.09 C ATOM 0 H VAL A 24 -4.810 -1.498 -0.157 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.281 -0.909 -2.669 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.890 0.979 -0.375 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.655 2.665 -2.175 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.193 1.658 -2.045 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.362 1.365 -3.355 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.897 1.691 -1.650 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.613 0.385 -2.824 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -6.032 -0.009 -1.140 1.00 0.09 H new ATOM 371 N VAL A 25 -1.025 -0.880 -1.578 1.00 0.09 N ATOM 372 CA VAL A 25 0.319 -1.024 -0.940 1.00 0.09 C ATOM 373 C VAL A 25 1.090 0.282 -1.093 1.00 0.10 C ATOM 374 O VAL A 25 1.118 0.873 -2.153 1.00 0.17 O ATOM 375 CB VAL A 25 1.092 -2.141 -1.646 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.282 -2.576 -0.787 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.162 -3.334 -1.872 1.00 0.09 C ATOM 0 H VAL A 25 -1.007 -0.796 -2.594 1.00 0.09 H new ATOM 0 HA VAL A 25 0.200 -1.263 0.117 1.00 0.09 H new ATOM 0 HB VAL A 25 1.460 -1.774 -2.604 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.827 -3.371 -1.296 1.00 0.12 H new ATOM 0 HG12 VAL A 25 2.945 -1.726 -0.627 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.922 -2.941 0.175 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.709 -4.132 -2.375 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.206 -3.696 -0.912 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.681 -3.026 -2.491 1.00 0.09 H new ATOM 387 N ASP A 26 1.723 0.729 -0.044 1.00 0.08 N ATOM 388 CA ASP A 26 2.509 1.993 -0.112 1.00 0.08 C ATOM 389 C ASP A 26 4.002 1.659 -0.079 1.00 0.08 C ATOM 390 O ASP A 26 4.556 1.353 0.957 1.00 0.09 O ATOM 391 CB ASP A 26 2.154 2.870 1.091 1.00 0.09 C ATOM 392 CG ASP A 26 3.031 4.123 1.093 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.510 4.489 0.032 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.211 4.695 2.156 1.00 0.96 O ATOM 0 H ASP A 26 1.729 0.268 0.866 1.00 0.08 H new ATOM 0 HA ASP A 26 2.275 2.526 -1.034 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.102 3.151 1.050 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.299 2.311 2.016 1.00 0.09 H new ATOM 399 N PHE A 27 4.662 1.728 -1.202 1.00 0.08 N ATOM 400 CA PHE A 27 6.120 1.429 -1.229 1.00 0.09 C ATOM 401 C PHE A 27 6.867 2.713 -0.872 1.00 0.11 C ATOM 402 O PHE A 27 7.351 3.419 -1.736 1.00 0.13 O ATOM 403 CB PHE A 27 6.521 0.992 -2.641 1.00 0.10 C ATOM 404 CG PHE A 27 6.133 -0.453 -2.885 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.801 -0.790 -3.194 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.111 -1.458 -2.828 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.453 -2.131 -3.439 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.764 -2.797 -3.077 1.00 0.21 C ATOM 409 CZ PHE A 27 5.436 -3.133 -3.381 1.00 0.23 C ATOM 0 H PHE A 27 4.254 1.979 -2.102 1.00 0.08 H new ATOM 0 HA PHE A 27 6.361 0.633 -0.524 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.036 1.633 -3.377 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.596 1.112 -2.773 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.046 -0.019 -3.243 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.133 -1.202 -2.592 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.431 -2.390 -3.672 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.520 -3.567 -3.034 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.169 -4.162 -3.570 1.00 0.23 H new ATOM 419 N SER A 28 6.938 3.026 0.398 1.00 0.11 N ATOM 420 CA SER A 28 7.631 4.272 0.848 1.00 0.12 C ATOM 421 C SER A 28 8.885 3.908 1.640 1.00 0.10 C ATOM 422 O SER A 28 8.927 2.907 2.327 1.00 0.11 O ATOM 423 CB SER A 28 6.686 5.074 1.742 1.00 0.17 C ATOM 424 OG SER A 28 5.550 5.473 0.990 1.00 1.03 O ATOM 0 H SER A 28 6.540 2.464 1.151 1.00 0.11 H new ATOM 0 HA SER A 28 7.914 4.865 -0.022 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.377 4.471 2.596 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.199 5.950 2.139 1.00 0.17 H new ATOM 0 HG SER A 28 5.243 4.723 0.438 1.00 1.03 H new ATOM 430 N ALA A 29 9.904 4.720 1.561 1.00 0.10 N ATOM 431 CA ALA A 29 11.157 4.434 2.318 1.00 0.15 C ATOM 432 C ALA A 29 11.089 5.138 3.679 1.00 0.18 C ATOM 433 O ALA A 29 10.791 6.312 3.770 1.00 0.26 O ATOM 434 CB ALA A 29 12.358 4.942 1.511 1.00 0.19 C ATOM 0 H ALA A 29 9.923 5.573 1.002 1.00 0.10 H new ATOM 0 HA ALA A 29 11.268 3.361 2.478 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.278 4.736 2.059 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.389 4.435 0.546 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.262 6.016 1.353 1.00 0.19 H new ATOM 440 N THR A 30 11.349 4.420 4.737 1.00 0.18 N ATOM 441 CA THR A 30 11.284 5.030 6.097 1.00 0.23 C ATOM 442 C THR A 30 12.398 6.070 6.275 1.00 0.26 C ATOM 443 O THR A 30 12.273 6.994 7.052 1.00 0.31 O ATOM 444 CB THR A 30 11.444 3.930 7.150 1.00 0.26 C ATOM 445 OG1 THR A 30 11.276 4.488 8.445 1.00 0.32 O ATOM 446 CG2 THR A 30 12.837 3.302 7.041 1.00 0.28 C ATOM 0 H THR A 30 11.605 3.433 4.719 1.00 0.18 H new ATOM 0 HA THR A 30 10.320 5.525 6.216 1.00 0.23 H new ATOM 0 HB THR A 30 10.691 3.160 6.982 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.377 3.785 9.120 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.944 2.520 7.793 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.965 2.870 6.048 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.595 4.068 7.204 1.00 0.28 H new ATOM 454 N TRP A 31 13.495 5.915 5.582 1.00 0.26 N ATOM 455 CA TRP A 31 14.623 6.884 5.739 1.00 0.32 C ATOM 456 C TRP A 31 14.442 8.064 4.784 1.00 0.32 C ATOM 457 O TRP A 31 15.160 9.043 4.851 1.00 0.36 O ATOM 458 CB TRP A 31 15.943 6.173 5.420 1.00 0.34 C ATOM 459 CG TRP A 31 15.996 5.820 3.968 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.583 4.646 3.436 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.484 6.625 2.856 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.785 4.679 2.068 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.338 5.876 1.660 1.00 0.29 C ATOM 464 CE3 TRP A 31 17.035 7.921 2.768 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.723 6.396 0.417 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.424 8.447 1.521 1.00 0.44 C ATOM 467 CH2 TRP A 31 17.269 7.686 0.348 1.00 0.40 C ATOM 0 H TRP A 31 13.660 5.161 4.915 1.00 0.26 H new ATOM 0 HA TRP A 31 14.636 7.256 6.764 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.784 6.817 5.677 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.035 5.271 6.025 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.164 3.818 3.989 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.553 3.912 1.437 1.00 0.25 H new ATOM 0 HE3 TRP A 31 17.159 8.513 3.663 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.600 5.808 -0.481 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.844 9.440 1.465 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.570 8.095 -0.605 1.00 0.40 H new ATOM 478 N CYS A 32 13.503 7.973 3.883 1.00 0.28 N ATOM 479 CA CYS A 32 13.287 9.077 2.903 1.00 0.30 C ATOM 480 C CYS A 32 12.155 9.988 3.392 1.00 0.31 C ATOM 481 O CYS A 32 11.085 9.538 3.749 1.00 0.29 O ATOM 482 CB CYS A 32 12.941 8.453 1.548 1.00 0.28 C ATOM 483 SG CYS A 32 13.513 9.522 0.204 1.00 0.32 S ATOM 0 H CYS A 32 12.872 7.178 3.782 1.00 0.28 H new ATOM 0 HA CYS A 32 14.187 9.684 2.803 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.404 7.470 1.463 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.864 8.305 1.472 1.00 0.28 H new ATOM 488 N GLY A 33 12.405 11.269 3.430 1.00 0.34 N ATOM 489 CA GLY A 33 11.378 12.236 3.916 1.00 0.36 C ATOM 490 C GLY A 33 10.207 12.362 2.928 1.00 0.35 C ATOM 491 O GLY A 33 9.070 12.219 3.324 1.00 0.33 O ATOM 0 H GLY A 33 13.287 11.692 3.142 1.00 0.34 H new ATOM 0 HA2 GLY A 33 11.003 11.912 4.887 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.838 13.213 4.062 1.00 0.36 H new ATOM 495 N PRO A 34 10.500 12.665 1.683 1.00 0.37 N ATOM 496 CA PRO A 34 9.446 12.852 0.662 1.00 0.38 C ATOM 497 C PRO A 34 8.448 11.684 0.659 1.00 0.35 C ATOM 498 O PRO A 34 7.254 11.884 0.550 1.00 0.36 O ATOM 499 CB PRO A 34 10.216 12.952 -0.672 1.00 0.42 C ATOM 500 CG PRO A 34 11.710 13.175 -0.316 1.00 0.44 C ATOM 501 CD PRO A 34 11.882 12.842 1.179 1.00 0.40 C ATOM 0 HA PRO A 34 8.840 13.738 0.852 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.091 12.042 -1.259 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.836 13.776 -1.276 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.349 12.538 -0.927 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.002 14.206 -0.516 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.474 11.937 1.318 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.397 13.644 1.707 1.00 0.40 H new ATOM 509 N ALA A 35 8.909 10.472 0.778 1.00 0.33 N ATOM 510 CA ALA A 35 7.956 9.323 0.778 1.00 0.32 C ATOM 511 C ALA A 35 7.233 9.279 2.126 1.00 0.39 C ATOM 512 O ALA A 35 6.021 9.318 2.197 1.00 0.81 O ATOM 513 CB ALA A 35 8.730 8.019 0.562 1.00 0.36 C ATOM 0 H ALA A 35 9.894 10.226 0.875 1.00 0.33 H new ATOM 0 HA ALA A 35 7.228 9.443 -0.024 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.035 7.179 0.562 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.251 8.059 -0.395 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.456 7.889 1.365 1.00 0.36 H new ATOM 519 N LYS A 36 7.976 9.211 3.192 1.00 0.30 N ATOM 520 CA LYS A 36 7.361 9.176 4.548 1.00 0.28 C ATOM 521 C LYS A 36 6.503 10.428 4.760 1.00 0.24 C ATOM 522 O LYS A 36 5.611 10.451 5.584 1.00 0.25 O ATOM 523 CB LYS A 36 8.490 9.142 5.584 1.00 0.35 C ATOM 524 CG LYS A 36 7.923 8.891 6.983 1.00 0.38 C ATOM 525 CD LYS A 36 9.019 9.130 8.028 1.00 0.49 C ATOM 526 CE LYS A 36 8.566 8.594 9.387 1.00 1.22 C ATOM 527 NZ LYS A 36 9.493 9.085 10.445 1.00 1.92 N ATOM 0 H LYS A 36 8.995 9.178 3.183 1.00 0.30 H new ATOM 0 HA LYS A 36 6.727 8.296 4.651 1.00 0.28 H new ATOM 0 HB2 LYS A 36 9.204 8.359 5.328 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.034 10.086 5.569 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.078 9.553 7.169 1.00 0.38 H new ATOM 0 HG3 LYS A 36 7.550 7.870 7.058 1.00 0.38 H new ATOM 0 HD2 LYS A 36 9.941 8.636 7.721 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.238 10.195 8.102 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.548 8.922 9.599 1.00 1.22 H new ATOM 0 HE3 LYS A 36 8.554 7.504 9.375 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 9.187 8.722 11.370 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.457 8.752 10.244 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.482 10.125 10.461 1.00 1.92 H new ATOM 541 N MET A 37 6.782 11.474 4.038 1.00 0.23 N ATOM 542 CA MET A 37 6.004 12.731 4.217 1.00 0.24 C ATOM 543 C MET A 37 4.517 12.500 3.927 1.00 0.20 C ATOM 544 O MET A 37 3.680 13.292 4.312 1.00 0.20 O ATOM 545 CB MET A 37 6.548 13.804 3.267 1.00 0.29 C ATOM 546 CG MET A 37 5.670 15.061 3.340 1.00 1.31 C ATOM 547 SD MET A 37 6.606 16.490 2.735 1.00 2.12 S ATOM 548 CE MET A 37 7.252 17.039 4.335 1.00 3.13 C ATOM 0 H MET A 37 7.516 11.514 3.331 1.00 0.23 H new ATOM 0 HA MET A 37 6.107 13.059 5.251 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.575 14.052 3.534 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.567 13.422 2.246 1.00 0.29 H new ATOM 0 HG2 MET A 37 4.769 14.923 2.742 1.00 1.31 H new ATOM 0 HG3 MET A 37 5.347 15.233 4.367 1.00 1.31 H new ATOM 0 HE1 MET A 37 7.869 17.926 4.193 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.422 17.277 5.000 1.00 3.13 H new ATOM 0 HE3 MET A 37 7.854 16.245 4.776 1.00 3.13 H new ATOM 558 N ILE A 38 4.178 11.446 3.228 1.00 0.18 N ATOM 559 CA ILE A 38 2.740 11.202 2.887 1.00 0.15 C ATOM 560 C ILE A 38 2.115 10.172 3.829 1.00 0.16 C ATOM 561 O ILE A 38 1.043 9.664 3.569 1.00 0.16 O ATOM 562 CB ILE A 38 2.635 10.698 1.440 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.429 11.648 0.525 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.152 10.651 1.003 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.469 11.108 -0.918 1.00 0.28 C ATOM 0 H ILE A 38 4.831 10.745 2.879 1.00 0.18 H new ATOM 0 HA ILE A 38 2.199 12.142 2.997 1.00 0.15 H new ATOM 0 HB ILE A 38 3.047 9.692 1.368 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.972 12.638 0.536 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.445 11.762 0.904 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.087 10.293 -0.024 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.601 9.977 1.658 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.722 11.651 1.067 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.035 11.794 -1.548 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.948 10.129 -0.927 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.453 11.018 -1.301 1.00 0.28 H new ATOM 577 N LYS A 39 2.753 9.844 4.923 1.00 0.19 N ATOM 578 CA LYS A 39 2.135 8.834 5.828 1.00 0.22 C ATOM 579 C LYS A 39 0.845 9.339 6.498 1.00 0.20 C ATOM 580 O LYS A 39 -0.009 8.532 6.791 1.00 0.21 O ATOM 581 CB LYS A 39 3.125 8.309 6.895 1.00 0.31 C ATOM 582 CG LYS A 39 3.290 9.281 8.085 1.00 0.34 C ATOM 583 CD LYS A 39 3.787 8.523 9.328 1.00 0.45 C ATOM 584 CE LYS A 39 5.021 7.683 8.992 1.00 1.16 C ATOM 585 NZ LYS A 39 4.590 6.349 8.490 1.00 1.62 N ATOM 0 H LYS A 39 3.652 10.221 5.222 1.00 0.19 H new ATOM 0 HA LYS A 39 1.865 8.000 5.180 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.777 7.345 7.265 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.097 8.141 6.431 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.997 10.069 7.824 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.338 9.765 8.302 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.028 9.232 10.120 1.00 0.45 H new ATOM 0 HD3 LYS A 39 2.994 7.878 9.708 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.625 8.189 8.239 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.647 7.566 9.877 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 5.184 5.609 8.916 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.596 6.186 8.748 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.689 6.319 7.455 1.00 1.62 H new ATOM 599 N PRO A 40 0.720 10.619 6.790 1.00 0.20 N ATOM 600 CA PRO A 40 -0.480 11.090 7.499 1.00 0.21 C ATOM 601 C PRO A 40 -1.727 10.903 6.624 1.00 0.17 C ATOM 602 O PRO A 40 -2.838 11.090 7.072 1.00 0.20 O ATOM 603 CB PRO A 40 -0.211 12.574 7.804 1.00 0.24 C ATOM 604 CG PRO A 40 1.210 12.907 7.274 1.00 0.25 C ATOM 605 CD PRO A 40 1.691 11.693 6.459 1.00 0.21 C ATOM 0 HA PRO A 40 -0.671 10.530 8.414 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.958 13.206 7.323 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.275 12.763 8.876 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.188 13.803 6.653 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.891 13.109 8.101 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.697 11.908 5.391 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.707 11.408 6.732 1.00 0.21 H new ATOM 613 N PHE A 41 -1.546 10.542 5.380 1.00 0.14 N ATOM 614 CA PHE A 41 -2.716 10.340 4.468 1.00 0.14 C ATOM 615 C PHE A 41 -2.956 8.844 4.267 1.00 0.11 C ATOM 616 O PHE A 41 -3.908 8.286 4.771 1.00 0.13 O ATOM 617 CB PHE A 41 -2.413 10.992 3.114 1.00 0.15 C ATOM 618 CG PHE A 41 -2.664 12.477 3.206 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.672 13.324 3.725 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.894 13.007 2.780 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.909 14.708 3.815 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.132 14.388 2.871 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.140 15.239 3.388 1.00 0.27 C ATOM 0 H PHE A 41 -0.635 10.377 4.953 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.605 10.793 4.907 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.377 10.804 2.831 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.040 10.553 2.338 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.729 12.914 4.055 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.656 12.353 2.383 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.147 15.362 4.212 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.077 14.796 2.544 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.323 16.301 3.458 1.00 0.27 H new ATOM 633 N PHE A 42 -2.103 8.197 3.522 1.00 0.10 N ATOM 634 CA PHE A 42 -2.273 6.740 3.254 1.00 0.11 C ATOM 635 C PHE A 42 -2.646 5.992 4.541 1.00 0.11 C ATOM 636 O PHE A 42 -3.632 5.283 4.591 1.00 0.12 O ATOM 637 CB PHE A 42 -0.959 6.189 2.696 1.00 0.13 C ATOM 638 CG PHE A 42 -1.082 4.704 2.457 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.762 4.240 1.322 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.511 3.788 3.359 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.873 2.862 1.086 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.625 2.408 3.123 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.306 1.944 1.986 1.00 0.10 C ATOM 0 H PHE A 42 -1.286 8.620 3.082 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.078 6.597 2.533 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.709 6.696 1.764 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.146 6.387 3.395 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.200 4.944 0.630 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.015 4.145 4.232 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.395 2.506 0.211 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.189 1.704 3.816 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.394 0.883 1.804 1.00 0.10 H new ATOM 653 N HIS A 43 -1.872 6.141 5.579 1.00 0.14 N ATOM 654 CA HIS A 43 -2.193 5.434 6.853 1.00 0.16 C ATOM 655 C HIS A 43 -3.476 6.014 7.468 1.00 0.16 C ATOM 656 O HIS A 43 -4.236 5.311 8.101 1.00 0.18 O ATOM 657 CB HIS A 43 -1.004 5.574 7.824 1.00 0.21 C ATOM 658 CG HIS A 43 -1.465 5.475 9.254 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.388 4.296 9.979 1.00 0.35 N ATOM 660 CD2 HIS A 43 -2.030 6.400 10.096 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.898 4.539 11.200 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.305 5.806 11.326 1.00 0.39 N ATOM 0 H HIS A 43 -1.033 6.720 5.602 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.363 4.376 6.655 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.269 4.796 7.620 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.508 6.531 7.663 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.231 7.431 9.844 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.970 3.800 11.984 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.726 6.243 12.146 1.00 0.39 H new ATOM 670 N SER A 44 -3.727 7.286 7.296 1.00 0.20 N ATOM 671 CA SER A 44 -4.964 7.876 7.888 1.00 0.25 C ATOM 672 C SER A 44 -6.201 7.209 7.282 1.00 0.20 C ATOM 673 O SER A 44 -7.168 6.949 7.969 1.00 0.21 O ATOM 674 CB SER A 44 -5.008 9.380 7.612 1.00 0.34 C ATOM 675 OG SER A 44 -6.352 9.834 7.696 1.00 0.97 O ATOM 0 H SER A 44 -3.136 7.936 6.777 1.00 0.20 H new ATOM 0 HA SER A 44 -4.955 7.708 8.965 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.387 9.912 8.333 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.602 9.592 6.623 1.00 0.34 H new ATOM 0 HG SER A 44 -6.383 10.798 7.521 1.00 0.97 H new ATOM 681 N LEU A 45 -6.185 6.925 6.007 1.00 0.18 N ATOM 682 CA LEU A 45 -7.372 6.271 5.381 1.00 0.18 C ATOM 683 C LEU A 45 -7.748 5.029 6.192 1.00 0.16 C ATOM 684 O LEU A 45 -8.829 4.494 6.060 1.00 0.23 O ATOM 685 CB LEU A 45 -7.042 5.852 3.944 1.00 0.19 C ATOM 686 CG LEU A 45 -6.563 7.060 3.127 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.176 6.589 1.723 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.681 8.111 3.026 1.00 0.50 C ATOM 0 H LEU A 45 -5.407 7.116 5.375 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.204 6.975 5.368 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.270 5.082 3.952 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.924 5.415 3.475 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.702 7.510 3.621 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.834 7.441 1.135 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.376 5.852 1.794 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.042 6.138 1.239 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.328 8.963 2.444 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.550 7.672 2.536 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.958 8.445 4.026 1.00 0.50 H new ATOM 700 N SER A 46 -6.862 4.570 7.032 1.00 0.20 N ATOM 701 CA SER A 46 -7.167 3.367 7.856 1.00 0.25 C ATOM 702 C SER A 46 -8.415 3.626 8.704 1.00 0.17 C ATOM 703 O SER A 46 -9.148 2.717 9.039 1.00 0.15 O ATOM 704 CB SER A 46 -5.982 3.068 8.776 1.00 0.36 C ATOM 705 OG SER A 46 -4.834 2.782 7.989 1.00 0.51 O ATOM 0 H SER A 46 -5.939 4.977 7.183 1.00 0.20 H new ATOM 0 HA SER A 46 -7.346 2.515 7.200 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.788 3.921 9.426 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.214 2.221 9.422 1.00 0.36 H new ATOM 0 HG SER A 46 -4.236 3.559 7.988 1.00 0.51 H new ATOM 711 N GLU A 47 -8.656 4.860 9.067 1.00 0.21 N ATOM 712 CA GLU A 47 -9.848 5.184 9.911 1.00 0.21 C ATOM 713 C GLU A 47 -11.014 5.625 9.021 1.00 0.18 C ATOM 714 O GLU A 47 -12.163 5.536 9.404 1.00 0.18 O ATOM 715 CB GLU A 47 -9.491 6.322 10.878 1.00 0.32 C ATOM 716 CG GLU A 47 -8.095 6.093 11.464 1.00 0.39 C ATOM 717 CD GLU A 47 -8.057 4.745 12.187 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.568 4.675 13.292 1.00 2.00 O ATOM 719 OE2 GLU A 47 -7.518 3.808 11.622 1.00 1.98 O ATOM 0 H GLU A 47 -8.077 5.661 8.815 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.140 4.297 10.473 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.523 7.278 10.355 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.227 6.373 11.680 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.349 6.112 10.670 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.844 6.896 12.157 1.00 0.39 H new ATOM 726 N LYS A 48 -10.729 6.111 7.841 1.00 0.18 N ATOM 727 CA LYS A 48 -11.825 6.571 6.935 1.00 0.17 C ATOM 728 C LYS A 48 -12.267 5.417 6.032 1.00 0.15 C ATOM 729 O LYS A 48 -13.350 5.429 5.481 1.00 0.18 O ATOM 730 CB LYS A 48 -11.309 7.730 6.073 1.00 0.21 C ATOM 731 CG LYS A 48 -12.472 8.381 5.310 1.00 0.26 C ATOM 732 CD LYS A 48 -12.048 9.761 4.791 1.00 1.09 C ATOM 733 CE LYS A 48 -10.724 9.652 4.026 1.00 1.51 C ATOM 734 NZ LYS A 48 -10.520 10.884 3.213 1.00 2.16 N ATOM 0 H LYS A 48 -9.786 6.210 7.465 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.676 6.904 7.529 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.818 8.471 6.703 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.562 7.365 5.369 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.773 7.746 4.477 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -13.338 8.479 5.964 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -12.822 10.166 4.139 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.939 10.454 5.625 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -9.897 9.523 4.724 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -10.736 8.774 3.380 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -9.622 10.812 2.693 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.304 10.988 2.537 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -10.491 11.713 3.840 1.00 2.16 H new ATOM 748 N TYR A 49 -11.435 4.417 5.881 1.00 0.13 N ATOM 749 CA TYR A 49 -11.795 3.248 5.017 1.00 0.13 C ATOM 750 C TYR A 49 -11.407 1.951 5.730 1.00 0.11 C ATOM 751 O TYR A 49 -10.545 1.219 5.282 1.00 0.11 O ATOM 752 CB TYR A 49 -11.047 3.351 3.681 1.00 0.15 C ATOM 753 CG TYR A 49 -11.755 4.344 2.786 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.004 4.013 2.233 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.178 5.598 2.515 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.674 4.932 1.409 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.849 6.517 1.693 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.097 6.185 1.138 1.00 0.21 C ATOM 759 OH TYR A 49 -13.758 7.087 0.331 1.00 0.24 O ATOM 0 H TYR A 49 -10.517 4.359 6.321 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.869 3.248 4.828 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.018 3.667 3.851 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.005 2.375 3.198 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.449 3.051 2.442 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.218 5.854 2.940 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.633 4.676 0.983 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.406 7.480 1.487 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.223 7.904 0.246 1.00 0.24 H new ATOM 769 N SER A 50 -12.043 1.655 6.827 1.00 0.12 N ATOM 770 CA SER A 50 -11.723 0.400 7.561 1.00 0.13 C ATOM 771 C SER A 50 -12.150 -0.800 6.715 1.00 0.13 C ATOM 772 O SER A 50 -11.957 -1.940 7.089 1.00 0.14 O ATOM 773 CB SER A 50 -12.477 0.378 8.889 1.00 0.16 C ATOM 774 OG SER A 50 -13.876 0.395 8.636 1.00 0.17 O ATOM 0 H SER A 50 -12.773 2.229 7.249 1.00 0.12 H new ATOM 0 HA SER A 50 -10.651 0.352 7.753 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.210 -0.513 9.457 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.195 1.239 9.495 1.00 0.16 H new ATOM 0 HG SER A 50 -14.362 0.379 9.487 1.00 0.17 H new ATOM 780 N ASN A 51 -12.743 -0.546 5.578 1.00 0.13 N ATOM 781 CA ASN A 51 -13.205 -1.659 4.697 1.00 0.15 C ATOM 782 C ASN A 51 -12.121 -1.984 3.669 1.00 0.13 C ATOM 783 O ASN A 51 -12.236 -2.927 2.912 1.00 0.14 O ATOM 784 CB ASN A 51 -14.480 -1.222 3.975 1.00 0.17 C ATOM 785 CG ASN A 51 -15.016 -2.375 3.124 1.00 0.20 C ATOM 786 OD1 ASN A 51 -15.953 -3.046 3.510 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.459 -2.636 1.973 1.00 0.32 N ATOM 0 H ASN A 51 -12.928 0.391 5.220 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.405 -2.546 5.298 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.232 -0.914 4.701 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.273 -0.358 3.344 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -14.810 -3.402 1.399 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -13.673 -2.074 1.648 1.00 0.32 H new ATOM 794 N VAL A 52 -11.060 -1.218 3.646 1.00 0.11 N ATOM 795 CA VAL A 52 -9.950 -1.478 2.678 1.00 0.10 C ATOM 796 C VAL A 52 -8.709 -1.921 3.453 1.00 0.10 C ATOM 797 O VAL A 52 -8.486 -1.510 4.574 1.00 0.11 O ATOM 798 CB VAL A 52 -9.632 -0.195 1.905 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.401 -0.415 1.016 1.00 0.12 C ATOM 800 CG2 VAL A 52 -10.837 0.181 1.038 1.00 0.12 C ATOM 0 H VAL A 52 -10.914 -0.417 4.261 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.249 -2.257 1.977 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.421 0.611 2.607 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.179 0.501 0.468 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.546 -0.682 1.638 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.602 -1.221 0.310 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.617 1.094 0.485 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.047 -0.626 0.336 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.707 0.343 1.675 1.00 0.12 H new ATOM 810 N ILE A 53 -7.904 -2.764 2.862 1.00 0.09 N ATOM 811 CA ILE A 53 -6.673 -3.255 3.550 1.00 0.09 C ATOM 812 C ILE A 53 -5.470 -2.442 3.059 1.00 0.09 C ATOM 813 O ILE A 53 -5.201 -2.370 1.877 1.00 0.14 O ATOM 814 CB ILE A 53 -6.470 -4.733 3.198 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.827 -5.467 3.188 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.501 -5.393 4.190 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.648 -5.183 4.463 1.00 0.17 C ATOM 0 H ILE A 53 -8.048 -3.137 1.924 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.772 -3.143 4.630 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.033 -4.800 2.202 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.399 -5.159 2.313 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.658 -6.540 3.097 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.368 -6.442 3.926 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.538 -4.884 4.151 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.908 -5.322 5.199 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.595 -5.720 4.413 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.089 -5.515 5.338 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.841 -4.113 4.541 1.00 0.17 H new ATOM 829 N PHE A 54 -4.746 -1.831 3.960 1.00 0.08 N ATOM 830 CA PHE A 54 -3.555 -1.019 3.561 1.00 0.08 C ATOM 831 C PHE A 54 -2.285 -1.747 3.991 1.00 0.08 C ATOM 832 O PHE A 54 -2.173 -2.213 5.107 1.00 0.11 O ATOM 833 CB PHE A 54 -3.619 0.340 4.258 1.00 0.08 C ATOM 834 CG PHE A 54 -4.869 1.066 3.816 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.953 1.571 2.508 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.949 1.233 4.704 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.113 2.243 2.086 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.108 1.905 4.281 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.189 2.410 2.972 1.00 0.09 C ATOM 0 H PHE A 54 -4.929 -1.859 4.963 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.549 -0.878 2.480 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.624 0.207 5.340 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.736 0.930 4.013 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.125 1.443 1.826 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.886 0.845 5.710 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.177 2.631 1.080 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.937 2.033 4.962 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.080 2.927 2.647 1.00 0.09 H new ATOM 849 N LEU A 55 -1.331 -1.860 3.106 1.00 0.08 N ATOM 850 CA LEU A 55 -0.055 -2.567 3.434 1.00 0.09 C ATOM 851 C LEU A 55 1.089 -1.549 3.408 1.00 0.09 C ATOM 852 O LEU A 55 0.909 -0.411 3.027 1.00 0.10 O ATOM 853 CB LEU A 55 0.211 -3.653 2.378 1.00 0.10 C ATOM 854 CG LEU A 55 -0.605 -4.924 2.674 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.098 -4.584 2.819 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.405 -5.924 1.522 1.00 0.12 C ATOM 0 H LEU A 55 -1.381 -1.488 2.157 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.126 -3.028 4.419 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.046 -3.274 1.389 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.274 -3.895 2.360 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.262 -5.363 3.611 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.660 -5.494 3.028 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.233 -3.878 3.639 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.461 -4.138 1.893 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.979 -6.829 1.722 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.746 -5.477 0.588 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.652 -6.176 1.439 1.00 0.12 H new ATOM 868 N GLU A 56 2.265 -1.958 3.799 1.00 0.09 N ATOM 869 CA GLU A 56 3.436 -1.030 3.790 1.00 0.09 C ATOM 870 C GLU A 56 4.673 -1.828 3.380 1.00 0.09 C ATOM 871 O GLU A 56 4.804 -2.987 3.713 1.00 0.10 O ATOM 872 CB GLU A 56 3.633 -0.439 5.190 1.00 0.09 C ATOM 873 CG GLU A 56 4.650 0.705 5.134 1.00 0.11 C ATOM 874 CD GLU A 56 4.656 1.452 6.470 1.00 0.53 C ATOM 875 OE1 GLU A 56 3.753 2.244 6.689 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.563 1.220 7.252 1.00 1.24 O ATOM 0 H GLU A 56 2.468 -2.902 4.127 1.00 0.09 H new ATOM 0 HA GLU A 56 3.270 -0.213 3.088 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.682 -0.073 5.577 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.980 -1.212 5.875 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.644 0.311 4.921 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.398 1.390 4.324 1.00 0.11 H new ATOM 883 N VAL A 57 5.568 -1.232 2.633 1.00 0.08 N ATOM 884 CA VAL A 57 6.777 -1.984 2.177 1.00 0.08 C ATOM 885 C VAL A 57 8.017 -1.086 2.226 1.00 0.09 C ATOM 886 O VAL A 57 7.990 0.057 1.813 1.00 0.14 O ATOM 887 CB VAL A 57 6.546 -2.455 0.738 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.780 -3.210 0.239 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.328 -3.382 0.693 1.00 0.09 C ATOM 0 H VAL A 57 5.515 -0.263 2.320 1.00 0.08 H new ATOM 0 HA VAL A 57 6.941 -2.838 2.835 1.00 0.08 H new ATOM 0 HB VAL A 57 6.369 -1.590 0.099 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.613 -3.544 -0.785 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.647 -2.550 0.268 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.960 -4.075 0.878 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.164 -3.717 -0.331 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.504 -4.246 1.334 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.448 -2.844 1.044 1.00 0.09 H new ATOM 899 N ASP A 58 9.112 -1.618 2.715 1.00 0.09 N ATOM 900 CA ASP A 58 10.384 -0.837 2.786 1.00 0.09 C ATOM 901 C ASP A 58 11.245 -1.197 1.568 1.00 0.10 C ATOM 902 O ASP A 58 11.854 -2.247 1.512 1.00 0.11 O ATOM 903 CB ASP A 58 11.127 -1.200 4.081 1.00 0.11 C ATOM 904 CG ASP A 58 12.142 -0.108 4.427 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.732 0.900 4.980 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.311 -0.297 4.134 1.00 1.06 O ATOM 0 H ASP A 58 9.177 -2.571 3.072 1.00 0.09 H new ATOM 0 HA ASP A 58 10.176 0.233 2.784 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.415 -1.318 4.898 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.636 -2.156 3.962 1.00 0.11 H new ATOM 911 N VAL A 59 11.276 -0.342 0.583 1.00 0.12 N ATOM 912 CA VAL A 59 12.064 -0.632 -0.652 1.00 0.15 C ATOM 913 C VAL A 59 13.552 -0.812 -0.330 1.00 0.18 C ATOM 914 O VAL A 59 14.330 -1.160 -1.194 1.00 0.27 O ATOM 915 CB VAL A 59 11.909 0.536 -1.628 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.476 0.576 -2.159 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.217 1.849 -0.902 1.00 0.22 C ATOM 0 H VAL A 59 10.786 0.553 0.579 1.00 0.12 H new ATOM 0 HA VAL A 59 11.688 -1.556 -1.091 1.00 0.15 H new ATOM 0 HB VAL A 59 12.600 0.405 -2.460 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.369 1.409 -2.854 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.253 -0.358 -2.675 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.783 0.706 -1.327 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.107 2.683 -1.596 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.525 1.976 -0.070 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.239 1.824 -0.523 1.00 0.22 H new ATOM 927 N ASP A 60 13.964 -0.555 0.884 1.00 0.16 N ATOM 928 CA ASP A 60 15.417 -0.682 1.228 1.00 0.18 C ATOM 929 C ASP A 60 15.689 -1.971 2.008 1.00 0.17 C ATOM 930 O ASP A 60 16.619 -2.694 1.712 1.00 0.18 O ATOM 931 CB ASP A 60 15.832 0.513 2.083 1.00 0.21 C ATOM 932 CG ASP A 60 15.558 1.810 1.319 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.336 2.130 0.435 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.576 2.463 1.633 1.00 1.08 O ATOM 0 H ASP A 60 13.361 -0.263 1.653 1.00 0.16 H new ATOM 0 HA ASP A 60 15.991 -0.710 0.302 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.281 0.509 3.023 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.890 0.443 2.334 1.00 0.21 H new ATOM 939 N ASP A 61 14.906 -2.257 3.012 1.00 0.17 N ATOM 940 CA ASP A 61 15.145 -3.488 3.824 1.00 0.17 C ATOM 941 C ASP A 61 14.312 -4.649 3.267 1.00 0.16 C ATOM 942 O ASP A 61 14.470 -5.782 3.675 1.00 0.18 O ATOM 943 CB ASP A 61 14.763 -3.200 5.283 1.00 0.19 C ATOM 944 CG ASP A 61 14.553 -4.511 6.050 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.508 -5.115 5.877 1.00 1.07 O ATOM 946 OD2 ASP A 61 15.443 -4.886 6.797 1.00 1.12 O ATOM 0 H ASP A 61 14.110 -1.692 3.307 1.00 0.17 H new ATOM 0 HA ASP A 61 16.197 -3.769 3.776 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.547 -2.613 5.762 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.852 -2.602 5.316 1.00 0.19 H new ATOM 951 N ALA A 62 13.441 -4.378 2.327 1.00 0.16 N ATOM 952 CA ALA A 62 12.606 -5.466 1.722 1.00 0.16 C ATOM 953 C ALA A 62 12.799 -5.446 0.203 1.00 0.16 C ATOM 954 O ALA A 62 11.851 -5.453 -0.558 1.00 0.15 O ATOM 955 CB ALA A 62 11.130 -5.228 2.064 1.00 0.17 C ATOM 0 H ALA A 62 13.270 -3.446 1.950 1.00 0.16 H new ATOM 0 HA ALA A 62 12.909 -6.435 2.118 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.522 -6.019 1.624 1.00 0.17 H new ATOM 0 HB2 ALA A 62 11.002 -5.232 3.146 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.815 -4.264 1.665 1.00 0.17 H new ATOM 961 N GLN A 63 14.027 -5.412 -0.239 1.00 0.20 N ATOM 962 CA GLN A 63 14.305 -5.380 -1.705 1.00 0.22 C ATOM 963 C GLN A 63 13.654 -6.580 -2.396 1.00 0.20 C ATOM 964 O GLN A 63 13.512 -6.606 -3.601 1.00 0.20 O ATOM 965 CB GLN A 63 15.817 -5.430 -1.932 1.00 0.29 C ATOM 966 CG GLN A 63 16.474 -4.192 -1.311 1.00 0.90 C ATOM 967 CD GLN A 63 17.992 -4.387 -1.262 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.618 -4.633 -2.274 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.613 -4.288 -0.119 1.00 2.22 N ATOM 0 H GLN A 63 14.855 -5.405 0.356 1.00 0.20 H new ATOM 0 HA GLN A 63 13.893 -4.462 -2.124 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.231 -6.335 -1.488 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.033 -5.471 -3.000 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.230 -3.306 -1.897 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.086 -4.027 -0.306 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.088 -4.081 0.731 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.624 -4.417 -0.075 1.00 2.22 H new ATOM 978 N ASP A 64 13.262 -7.576 -1.651 1.00 0.19 N ATOM 979 CA ASP A 64 12.633 -8.768 -2.285 1.00 0.20 C ATOM 980 C ASP A 64 11.253 -8.387 -2.826 1.00 0.17 C ATOM 981 O ASP A 64 10.870 -8.786 -3.907 1.00 0.19 O ATOM 982 CB ASP A 64 12.491 -9.883 -1.241 1.00 0.22 C ATOM 983 CG ASP A 64 12.069 -9.279 0.100 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.898 -8.641 0.728 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.924 -9.468 0.478 1.00 1.09 O ATOM 0 H ASP A 64 13.349 -7.616 -0.636 1.00 0.19 H new ATOM 0 HA ASP A 64 13.257 -9.120 -3.106 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.752 -10.613 -1.572 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.436 -10.414 -1.131 1.00 0.22 H new ATOM 990 N VAL A 65 10.506 -7.616 -2.089 1.00 0.15 N ATOM 991 CA VAL A 65 9.159 -7.209 -2.573 1.00 0.16 C ATOM 992 C VAL A 65 9.326 -6.171 -3.683 1.00 0.16 C ATOM 993 O VAL A 65 8.720 -6.265 -4.733 1.00 0.19 O ATOM 994 CB VAL A 65 8.364 -6.605 -1.412 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.881 -6.527 -1.784 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.535 -7.487 -0.172 1.00 0.18 C ATOM 0 H VAL A 65 10.769 -7.250 -1.174 1.00 0.15 H new ATOM 0 HA VAL A 65 8.623 -8.075 -2.960 1.00 0.16 H new ATOM 0 HB VAL A 65 8.733 -5.601 -1.203 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.320 -6.097 -0.954 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.760 -5.901 -2.668 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.506 -7.528 -1.995 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.971 -7.061 0.658 1.00 0.18 H new ATOM 0 HG22 VAL A 65 8.166 -8.490 -0.385 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.590 -7.538 0.095 1.00 0.18 H new ATOM 1006 N ALA A 66 10.158 -5.190 -3.463 1.00 0.16 N ATOM 1007 CA ALA A 66 10.382 -4.155 -4.508 1.00 0.18 C ATOM 1008 C ALA A 66 10.983 -4.821 -5.746 1.00 0.19 C ATOM 1009 O ALA A 66 10.686 -4.457 -6.867 1.00 0.20 O ATOM 1010 CB ALA A 66 11.350 -3.096 -3.976 1.00 0.22 C ATOM 0 H ALA A 66 10.692 -5.062 -2.604 1.00 0.16 H new ATOM 0 HA ALA A 66 9.436 -3.680 -4.768 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.515 -2.337 -4.741 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.926 -2.629 -3.087 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.300 -3.566 -3.721 1.00 0.22 H new ATOM 1016 N SER A 67 11.823 -5.802 -5.551 1.00 0.21 N ATOM 1017 CA SER A 67 12.436 -6.498 -6.714 1.00 0.26 C ATOM 1018 C SER A 67 11.337 -7.204 -7.509 1.00 0.26 C ATOM 1019 O SER A 67 11.296 -7.146 -8.722 1.00 0.29 O ATOM 1020 CB SER A 67 13.455 -7.525 -6.220 1.00 0.31 C ATOM 1021 OG SER A 67 14.600 -6.848 -5.719 1.00 1.29 O ATOM 0 H SER A 67 12.110 -6.150 -4.636 1.00 0.21 H new ATOM 0 HA SER A 67 12.942 -5.773 -7.351 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.014 -8.145 -5.439 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.740 -8.192 -7.034 1.00 0.31 H new ATOM 0 HG SER A 67 14.538 -6.778 -4.743 1.00 1.29 H new ATOM 1027 N GLU A 68 10.441 -7.867 -6.831 1.00 0.26 N ATOM 1028 CA GLU A 68 9.338 -8.573 -7.539 1.00 0.30 C ATOM 1029 C GLU A 68 8.472 -7.543 -8.270 1.00 0.31 C ATOM 1030 O GLU A 68 8.076 -7.742 -9.401 1.00 0.36 O ATOM 1031 CB GLU A 68 8.487 -9.336 -6.517 1.00 0.31 C ATOM 1032 CG GLU A 68 7.500 -10.270 -7.233 1.00 0.39 C ATOM 1033 CD GLU A 68 6.355 -9.457 -7.848 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.084 -8.378 -7.348 1.00 2.20 O ATOM 1035 OE2 GLU A 68 5.768 -9.930 -8.807 1.00 2.19 O ATOM 0 H GLU A 68 10.426 -7.950 -5.814 1.00 0.26 H new ATOM 0 HA GLU A 68 9.750 -9.278 -8.261 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.133 -9.916 -5.857 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.941 -8.631 -5.890 1.00 0.31 H new ATOM 0 HG2 GLU A 68 8.017 -10.830 -8.012 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.101 -10.999 -6.528 1.00 0.39 H new ATOM 1042 N ALA A 69 8.177 -6.443 -7.631 1.00 0.29 N ATOM 1043 CA ALA A 69 7.338 -5.396 -8.286 1.00 0.31 C ATOM 1044 C ALA A 69 8.242 -4.451 -9.086 1.00 0.29 C ATOM 1045 O ALA A 69 7.779 -3.535 -9.736 1.00 0.33 O ATOM 1046 CB ALA A 69 6.584 -4.609 -7.210 1.00 0.31 C ATOM 0 H ALA A 69 8.481 -6.223 -6.682 1.00 0.29 H new ATOM 0 HA ALA A 69 6.620 -5.863 -8.960 1.00 0.31 H new ATOM 0 HB1 ALA A 69 5.970 -3.843 -7.683 1.00 0.31 H new ATOM 0 HB2 ALA A 69 5.946 -5.287 -6.643 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.299 -4.136 -6.537 1.00 0.31 H new ATOM 1052 N GLU A 70 9.528 -4.675 -9.045 1.00 0.27 N ATOM 1053 CA GLU A 70 10.471 -3.802 -9.806 1.00 0.29 C ATOM 1054 C GLU A 70 10.149 -2.327 -9.548 1.00 0.25 C ATOM 1055 O GLU A 70 9.977 -1.552 -10.467 1.00 0.26 O ATOM 1056 CB GLU A 70 10.340 -4.097 -11.301 1.00 0.38 C ATOM 1057 CG GLU A 70 10.439 -5.606 -11.534 1.00 1.18 C ATOM 1058 CD GLU A 70 10.512 -5.890 -13.035 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.310 -4.964 -13.804 1.00 2.06 O ATOM 1060 OE2 GLU A 70 10.768 -7.028 -13.390 1.00 2.34 O ATOM 0 H GLU A 70 9.968 -5.427 -8.516 1.00 0.27 H new ATOM 0 HA GLU A 70 11.490 -4.006 -9.477 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.387 -3.722 -11.674 1.00 0.38 H new ATOM 0 HB3 GLU A 70 11.124 -3.581 -11.855 1.00 0.38 H new ATOM 0 HG2 GLU A 70 11.323 -6.004 -11.035 1.00 1.18 H new ATOM 0 HG3 GLU A 70 9.575 -6.109 -11.100 1.00 1.18 H new ATOM 1067 N VAL A 71 10.078 -1.930 -8.308 1.00 0.22 N ATOM 1068 CA VAL A 71 9.780 -0.502 -7.995 1.00 0.19 C ATOM 1069 C VAL A 71 11.062 0.325 -8.131 1.00 0.23 C ATOM 1070 O VAL A 71 12.079 0.002 -7.551 1.00 0.28 O ATOM 1071 CB VAL A 71 9.248 -0.394 -6.567 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.817 1.048 -6.294 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.046 -1.325 -6.403 1.00 0.19 C ATOM 0 H VAL A 71 10.213 -2.532 -7.496 1.00 0.22 H new ATOM 0 HA VAL A 71 9.029 -0.124 -8.689 1.00 0.19 H new ATOM 0 HB VAL A 71 10.029 -0.680 -5.862 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.437 1.128 -5.276 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.672 1.713 -6.415 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.034 1.333 -6.997 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.664 -1.250 -5.385 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.264 -1.037 -7.106 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.352 -2.352 -6.601 1.00 0.19 H new ATOM 1083 N LYS A 72 11.017 1.388 -8.895 1.00 0.24 N ATOM 1084 CA LYS A 72 12.226 2.252 -9.083 1.00 0.29 C ATOM 1085 C LYS A 72 11.908 3.676 -8.622 1.00 0.26 C ATOM 1086 O LYS A 72 12.676 4.595 -8.828 1.00 0.27 O ATOM 1087 CB LYS A 72 12.608 2.274 -10.565 1.00 0.35 C ATOM 1088 CG LYS A 72 12.888 0.846 -11.045 1.00 0.43 C ATOM 1089 CD LYS A 72 13.059 0.843 -12.566 1.00 1.16 C ATOM 1090 CE LYS A 72 13.500 -0.548 -13.027 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.440 -0.620 -14.515 1.00 2.40 N ATOM 0 H LYS A 72 10.188 1.698 -9.401 1.00 0.24 H new ATOM 0 HA LYS A 72 13.054 1.854 -8.497 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.802 2.714 -11.152 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.489 2.898 -10.715 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.788 0.460 -10.566 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.068 0.188 -10.759 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.121 1.117 -13.049 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.799 1.587 -12.861 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.514 -0.753 -12.683 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.855 -1.310 -12.589 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.740 -1.565 -14.829 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.466 -0.442 -14.832 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 14.073 0.097 -14.923 1.00 2.40 H new ATOM 1105 N ALA A 73 10.774 3.867 -7.999 1.00 0.22 N ATOM 1106 CA ALA A 73 10.391 5.229 -7.522 1.00 0.20 C ATOM 1107 C ALA A 73 9.447 5.091 -6.324 1.00 0.18 C ATOM 1108 O ALA A 73 8.671 4.165 -6.253 1.00 0.16 O ATOM 1109 CB ALA A 73 9.671 5.976 -8.657 1.00 0.21 C ATOM 0 H ALA A 73 10.093 3.134 -7.799 1.00 0.22 H new ATOM 0 HA ALA A 73 11.281 5.784 -7.226 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.388 6.972 -8.315 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.337 6.062 -9.516 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.777 5.424 -8.946 1.00 0.21 H new ATOM 1115 N THR A 74 9.493 6.016 -5.395 1.00 0.18 N ATOM 1116 CA THR A 74 8.571 5.950 -4.214 1.00 0.17 C ATOM 1117 C THR A 74 7.911 7.329 -4.034 1.00 0.17 C ATOM 1118 O THR A 74 8.528 8.330 -4.341 1.00 0.19 O ATOM 1119 CB THR A 74 9.364 5.612 -2.940 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.350 6.605 -2.718 1.00 0.22 O ATOM 1121 CG2 THR A 74 10.051 4.248 -3.072 1.00 0.19 C ATOM 0 H THR A 74 10.128 6.814 -5.402 1.00 0.18 H new ATOM 0 HA THR A 74 7.820 5.179 -4.383 1.00 0.17 H new ATOM 0 HB THR A 74 8.668 5.578 -2.102 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.745 6.481 -1.830 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.606 4.030 -2.159 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.299 3.476 -3.232 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.738 4.267 -3.918 1.00 0.19 H new ATOM 1129 N PRO A 75 6.700 7.370 -3.512 1.00 0.17 N ATOM 1130 CA PRO A 75 5.901 6.183 -3.119 1.00 0.16 C ATOM 1131 C PRO A 75 5.254 5.541 -4.352 1.00 0.14 C ATOM 1132 O PRO A 75 4.809 6.224 -5.253 1.00 0.14 O ATOM 1133 CB PRO A 75 4.812 6.750 -2.187 1.00 0.17 C ATOM 1134 CG PRO A 75 4.854 8.298 -2.312 1.00 0.20 C ATOM 1135 CD PRO A 75 6.041 8.658 -3.225 1.00 0.19 C ATOM 0 HA PRO A 75 6.507 5.413 -2.642 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.830 6.369 -2.467 1.00 0.17 H new ATOM 0 HB3 PRO A 75 4.991 6.443 -1.156 1.00 0.17 H new ATOM 0 HG2 PRO A 75 3.921 8.674 -2.731 1.00 0.20 H new ATOM 0 HG3 PRO A 75 4.972 8.759 -1.331 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.703 9.142 -4.141 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.723 9.350 -2.732 1.00 0.19 H new ATOM 1143 N THR A 76 5.171 4.232 -4.383 1.00 0.13 N ATOM 1144 CA THR A 76 4.516 3.541 -5.539 1.00 0.12 C ATOM 1145 C THR A 76 3.242 2.884 -5.031 1.00 0.12 C ATOM 1146 O THR A 76 3.286 1.955 -4.252 1.00 0.18 O ATOM 1147 CB THR A 76 5.444 2.459 -6.115 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.775 2.937 -6.099 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.040 2.133 -7.560 1.00 0.13 C ATOM 0 H THR A 76 5.529 3.612 -3.657 1.00 0.13 H new ATOM 0 HA THR A 76 4.298 4.265 -6.324 1.00 0.12 H new ATOM 0 HB THR A 76 5.363 1.556 -5.510 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.778 3.901 -6.275 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.703 1.366 -7.959 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.013 1.769 -7.577 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.117 3.032 -8.171 1.00 0.13 H new ATOM 1157 N PHE A 77 2.104 3.351 -5.456 1.00 0.09 N ATOM 1158 CA PHE A 77 0.839 2.734 -4.975 1.00 0.09 C ATOM 1159 C PHE A 77 0.455 1.596 -5.904 1.00 0.09 C ATOM 1160 O PHE A 77 0.184 1.792 -7.071 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.277 3.773 -4.945 1.00 0.10 C ATOM 1162 CG PHE A 77 0.030 4.779 -3.866 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.183 4.437 -2.521 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.528 6.050 -4.202 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.098 5.369 -1.509 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.812 6.981 -3.189 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.595 6.642 -1.843 1.00 0.12 C ATOM 0 H PHE A 77 1.994 4.126 -6.110 1.00 0.09 H new ATOM 0 HA PHE A 77 0.987 2.352 -3.965 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.358 4.269 -5.912 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.236 3.292 -4.752 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.562 3.459 -2.265 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.692 6.310 -5.237 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.067 5.108 -0.474 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.197 7.957 -3.445 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.810 7.359 -1.064 1.00 0.12 H new ATOM 1177 N GLN A 78 0.429 0.406 -5.379 1.00 0.07 N ATOM 1178 CA GLN A 78 0.061 -0.781 -6.193 1.00 0.07 C ATOM 1179 C GLN A 78 -1.228 -1.352 -5.617 1.00 0.06 C ATOM 1180 O GLN A 78 -1.376 -1.483 -4.418 1.00 0.07 O ATOM 1181 CB GLN A 78 1.191 -1.812 -6.103 1.00 0.08 C ATOM 1182 CG GLN A 78 2.540 -1.119 -6.333 1.00 0.12 C ATOM 1183 CD GLN A 78 3.593 -2.152 -6.743 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.950 -3.017 -5.968 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.109 -2.097 -7.942 1.00 1.03 N ATOM 0 H GLN A 78 0.651 0.203 -4.404 1.00 0.07 H new ATOM 0 HA GLN A 78 -0.087 -0.517 -7.240 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.180 -2.294 -5.125 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.042 -2.596 -6.846 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.441 -0.360 -7.109 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.855 -0.607 -5.424 1.00 0.12 H new ATOM 0 HE21 GLN A 78 3.810 -1.371 -8.593 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.811 -2.780 -8.227 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.176 -1.652 -6.459 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.485 -2.171 -5.970 1.00 0.07 C ATOM 1196 C PHE A 79 -3.599 -3.656 -6.280 1.00 0.07 C ATOM 1197 O PHE A 79 -3.503 -4.078 -7.415 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.607 -1.403 -6.669 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.550 0.044 -6.233 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.519 0.869 -6.704 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.504 0.555 -5.341 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.440 2.207 -6.288 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.425 1.891 -4.918 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.394 2.718 -5.391 1.00 0.11 C ATOM 0 H PHE A 79 -2.101 -1.560 -7.472 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.561 -2.034 -4.891 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.498 -1.476 -7.751 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.575 -1.836 -6.417 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.783 0.474 -7.389 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.300 -0.080 -4.979 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.648 2.842 -6.656 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.158 2.283 -4.228 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.334 3.746 -5.066 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.808 -4.447 -5.263 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.939 -5.921 -5.446 1.00 0.08 C ATOM 1216 C PHE A 80 -5.319 -6.350 -4.955 1.00 0.11 C ATOM 1217 O PHE A 80 -5.957 -5.666 -4.178 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.867 -6.639 -4.618 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.508 -6.466 -5.261 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.132 -7.280 -6.343 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.613 -5.501 -4.767 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.135 -7.127 -6.932 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.653 -5.347 -5.356 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.027 -6.160 -6.437 1.00 0.14 C ATOM 0 H PHE A 80 -3.895 -4.129 -4.298 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.814 -6.177 -6.498 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.851 -6.239 -3.604 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.108 -7.699 -4.539 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.817 -8.024 -6.722 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.899 -4.877 -3.933 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.423 -7.752 -7.764 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.338 -4.603 -4.977 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.001 -6.043 -6.889 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.783 -7.477 -5.399 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.116 -7.963 -4.960 1.00 0.14 C ATOM 1236 C LYS A 81 -7.147 -9.480 -5.134 1.00 0.14 C ATOM 1237 O LYS A 81 -6.889 -9.991 -6.205 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.208 -7.301 -5.815 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.558 -7.376 -5.097 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.593 -6.564 -5.879 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.911 -6.538 -5.105 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.460 -7.921 -5.015 1.00 1.48 N ATOM 0 H LYS A 81 -5.294 -8.089 -6.052 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.296 -7.709 -3.916 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.948 -6.260 -6.009 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.274 -7.798 -6.783 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.881 -8.414 -5.013 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.465 -6.988 -4.083 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.231 -5.548 -6.036 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.746 -7.003 -6.865 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.751 -6.133 -4.106 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.625 -5.883 -5.604 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.499 -7.885 -5.044 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.111 -8.486 -5.816 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.153 -8.359 -4.123 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.438 -10.201 -4.088 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.466 -11.687 -4.192 1.00 0.20 C ATOM 1258 C LYS A 82 -6.121 -12.194 -4.729 1.00 0.20 C ATOM 1259 O LYS A 82 -6.052 -13.201 -5.407 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.600 -12.121 -5.134 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.944 -12.047 -4.397 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.096 -12.471 -5.333 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.629 -11.263 -6.120 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.623 -10.829 -7.130 1.00 1.67 N ATOM 0 H LYS A 82 -7.658 -9.826 -3.165 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.640 -12.113 -3.204 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.621 -11.477 -6.014 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.424 -13.137 -5.487 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.922 -12.695 -3.521 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.114 -11.032 -4.038 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.746 -13.237 -6.025 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.902 -12.915 -4.748 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.564 -11.525 -6.615 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -11.849 -10.442 -5.437 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -11.102 -10.320 -7.900 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.928 -10.200 -6.679 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.136 -11.663 -7.516 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.048 -11.519 -4.417 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.709 -11.977 -4.892 1.00 0.21 C ATOM 1280 C GLY A 83 -3.505 -11.599 -6.363 1.00 0.19 C ATOM 1281 O GLY A 83 -2.525 -11.981 -6.971 1.00 0.22 O ATOM 0 H GLY A 83 -5.040 -10.669 -3.853 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.926 -11.526 -4.282 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.624 -13.057 -4.772 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.418 -10.858 -6.942 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.273 -10.461 -8.382 1.00 0.17 C ATOM 1287 C GLN A 84 -4.057 -8.946 -8.488 1.00 0.16 C ATOM 1288 O GLN A 84 -4.590 -8.177 -7.715 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.549 -10.830 -9.140 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.829 -12.329 -8.985 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.245 -12.639 -9.476 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.422 -13.231 -10.523 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.267 -12.264 -8.759 1.00 2.08 N ATOM 0 H GLN A 84 -5.259 -10.510 -6.481 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.417 -10.983 -8.810 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.390 -10.252 -8.758 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.442 -10.578 -10.195 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.101 -12.906 -9.555 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.722 -12.623 -7.941 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.119 -11.767 -7.880 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.215 -12.467 -9.076 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.281 -8.515 -9.450 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.032 -7.050 -9.618 1.00 0.17 C ATOM 1304 C LYS A 85 -4.144 -6.443 -10.477 1.00 0.16 C ATOM 1305 O LYS A 85 -4.688 -7.094 -11.348 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.679 -6.829 -10.302 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.486 -5.332 -10.593 1.00 0.25 C ATOM 1308 CD LYS A 85 0.000 -5.020 -10.802 1.00 0.30 C ATOM 1309 CE LYS A 85 0.574 -5.918 -11.901 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.895 -5.383 -12.339 1.00 1.70 N ATOM 0 H LYS A 85 -2.809 -9.114 -10.127 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.021 -6.570 -8.639 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.874 -7.192 -9.663 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.632 -7.399 -11.230 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.052 -5.051 -11.481 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.876 -4.740 -9.765 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.125 -3.972 -11.075 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.547 -5.175 -9.872 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.687 -6.937 -11.531 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.112 -5.960 -12.747 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.112 -5.734 -13.294 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.862 -4.344 -12.352 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.634 -5.698 -11.678 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.494 -5.205 -10.231 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.582 -4.549 -11.022 1.00 0.16 C ATOM 1326 C VAL A 86 -5.127 -3.163 -11.508 1.00 0.18 C ATOM 1327 O VAL A 86 -5.585 -2.679 -12.524 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.829 -4.409 -10.140 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.501 -5.775 -9.976 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.423 -3.881 -8.761 1.00 0.17 C ATOM 0 H VAL A 86 -4.071 -4.617 -9.513 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.814 -5.162 -11.893 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.525 -3.714 -10.611 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.387 -5.672 -9.349 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.792 -6.157 -10.954 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.804 -6.470 -9.508 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.309 -3.781 -8.134 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.726 -4.578 -8.296 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.945 -2.908 -8.870 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.235 -2.514 -10.804 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.781 -1.164 -11.257 1.00 0.18 C ATOM 1342 C GLY A 87 -2.636 -0.664 -10.370 1.00 0.10 C ATOM 1343 O GLY A 87 -2.237 -1.320 -9.429 1.00 0.08 O ATOM 0 H GLY A 87 -3.805 -2.855 -9.944 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.452 -1.213 -12.295 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.613 -0.461 -11.219 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.103 0.497 -10.665 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.983 1.039 -9.841 1.00 0.10 C ATOM 1349 C GLU A 88 -0.651 2.473 -10.274 1.00 0.10 C ATOM 1350 O GLU A 88 -0.932 2.875 -11.385 1.00 0.11 O ATOM 1351 CB GLU A 88 0.265 0.167 -10.034 1.00 0.17 C ATOM 1352 CG GLU A 88 0.618 0.050 -11.536 1.00 0.25 C ATOM 1353 CD GLU A 88 0.284 -1.352 -12.056 1.00 1.25 C ATOM 1354 OE1 GLU A 88 -0.875 -1.594 -12.352 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.197 -2.156 -12.156 1.00 1.94 O ATOM 0 H GLU A 88 -2.397 1.091 -11.441 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.287 1.035 -8.794 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.105 0.599 -9.490 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.091 -0.825 -9.617 1.00 0.17 H new ATOM 0 HG2 GLU A 88 0.065 0.797 -12.105 1.00 0.25 H new ATOM 0 HG3 GLU A 88 1.678 0.257 -11.684 1.00 0.25 H new ATOM 1362 N PHE A 89 -0.020 3.231 -9.413 1.00 0.09 N ATOM 1363 CA PHE A 89 0.368 4.623 -9.787 1.00 0.09 C ATOM 1364 C PHE A 89 1.306 5.209 -8.723 1.00 0.09 C ATOM 1365 O PHE A 89 1.041 5.137 -7.541 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.881 5.510 -9.966 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.433 5.979 -8.632 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.781 7.001 -7.915 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.615 5.413 -8.119 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.306 7.448 -6.692 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.139 5.862 -6.896 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.486 6.880 -6.183 1.00 0.11 C ATOM 0 H PHE A 89 0.242 2.946 -8.469 1.00 0.09 H new ATOM 0 HA PHE A 89 0.896 4.595 -10.740 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.628 6.375 -10.579 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.649 4.953 -10.502 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.124 7.441 -8.307 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.120 4.632 -8.667 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.802 8.229 -6.142 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.045 5.424 -6.504 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.891 7.226 -5.243 1.00 0.11 H new ATOM 1382 N SER A 90 2.403 5.794 -9.142 1.00 0.13 N ATOM 1383 CA SER A 90 3.369 6.401 -8.171 1.00 0.14 C ATOM 1384 C SER A 90 3.220 7.924 -8.201 1.00 0.14 C ATOM 1385 O SER A 90 2.271 8.453 -8.746 1.00 0.17 O ATOM 1386 CB SER A 90 4.797 6.025 -8.570 1.00 0.15 C ATOM 1387 OG SER A 90 5.235 6.880 -9.619 1.00 0.16 O ATOM 0 H SER A 90 2.672 5.878 -10.122 1.00 0.13 H new ATOM 0 HA SER A 90 3.162 6.029 -7.167 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.462 6.115 -7.711 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.834 4.985 -8.894 1.00 0.15 H new ATOM 0 HG SER A 90 6.076 7.311 -9.360 1.00 0.16 H new ATOM 1393 N GLY A 91 4.148 8.634 -7.618 1.00 0.12 N ATOM 1394 CA GLY A 91 4.058 10.124 -7.608 1.00 0.13 C ATOM 1395 C GLY A 91 3.230 10.572 -6.402 1.00 0.13 C ATOM 1396 O GLY A 91 2.165 10.050 -6.141 1.00 0.13 O ATOM 0 H GLY A 91 4.966 8.247 -7.147 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.056 10.560 -7.561 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.599 10.478 -8.531 1.00 0.13 H new ATOM 1400 N ALA A 92 3.718 11.522 -5.653 1.00 0.15 N ATOM 1401 CA ALA A 92 2.959 11.981 -4.452 1.00 0.17 C ATOM 1402 C ALA A 92 1.571 12.493 -4.853 1.00 0.15 C ATOM 1403 O ALA A 92 1.405 13.637 -5.227 1.00 0.16 O ATOM 1404 CB ALA A 92 3.733 13.107 -3.754 1.00 0.20 C ATOM 0 H ALA A 92 4.604 11.999 -5.818 1.00 0.15 H new ATOM 0 HA ALA A 92 2.840 11.136 -3.773 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.178 13.441 -2.878 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.711 12.739 -3.445 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.860 13.942 -4.443 1.00 0.20 H new ATOM 1410 N ASN A 93 0.568 11.659 -4.741 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.826 12.091 -5.070 1.00 0.13 C ATOM 1412 C ASN A 93 -1.784 11.457 -4.056 1.00 0.12 C ATOM 1413 O ASN A 93 -2.471 10.496 -4.344 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.190 11.647 -6.492 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.373 12.478 -6.995 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.354 12.642 -6.298 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.315 13.020 -8.179 1.00 1.15 N ATOM 0 H ASN A 93 0.655 10.690 -4.434 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.902 13.177 -5.020 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.334 11.773 -7.155 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.446 10.587 -6.500 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.094 13.583 -8.521 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.491 12.882 -8.763 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.816 11.979 -2.862 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.703 11.402 -1.812 1.00 0.20 C ATOM 1426 C LYS A 94 -4.174 11.565 -2.207 1.00 0.18 C ATOM 1427 O LYS A 94 -5.005 10.747 -1.874 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.447 12.112 -0.476 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.406 13.644 -0.679 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.951 14.144 -0.792 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.374 14.397 0.605 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.092 14.653 0.499 1.00 1.19 N ATOM 0 H LYS A 94 -1.264 12.784 -2.566 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.482 10.339 -1.710 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.231 11.854 0.236 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.504 11.770 -0.050 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.958 13.911 -1.580 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.901 14.139 0.156 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.344 13.406 -1.317 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.918 15.061 -1.380 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.871 15.251 1.066 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.558 13.536 1.248 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.543 14.473 1.419 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.504 14.022 -0.218 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.252 15.643 0.222 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.508 12.613 -2.905 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.929 12.812 -3.297 1.00 0.20 C ATOM 1448 C GLU A 95 -6.337 11.715 -4.282 1.00 0.17 C ATOM 1449 O GLU A 95 -7.484 11.322 -4.350 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.081 14.179 -3.964 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.755 15.282 -2.955 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.110 16.645 -3.553 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.296 16.711 -4.757 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -6.187 17.599 -2.797 1.00 1.95 O ATOM 0 H GLU A 95 -3.862 13.337 -3.220 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.566 12.765 -2.414 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.416 14.251 -4.824 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.098 14.302 -4.336 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.313 15.122 -2.033 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.697 15.251 -2.697 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.401 11.221 -5.044 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.719 10.151 -6.029 1.00 0.14 C ATOM 1463 C LYS A 96 -6.070 8.857 -5.293 1.00 0.12 C ATOM 1464 O LYS A 96 -6.909 8.097 -5.733 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.509 9.920 -6.938 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.802 8.769 -7.911 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.752 8.742 -9.040 1.00 0.24 C ATOM 1468 CE LYS A 96 -4.249 9.546 -10.252 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.961 10.771 -9.790 1.00 2.05 N ATOM 0 H LYS A 96 -4.424 11.515 -5.026 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.572 10.457 -6.634 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.281 10.829 -7.494 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.630 9.686 -6.337 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.794 7.820 -7.375 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.799 8.887 -8.335 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.811 9.158 -8.680 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.553 7.712 -9.336 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.407 9.822 -10.887 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.917 8.933 -10.857 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -5.235 11.344 -10.613 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -5.813 10.498 -9.259 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -4.333 11.327 -9.175 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.445 8.596 -4.175 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.765 7.345 -3.426 1.00 0.11 C ATOM 1485 C LEU A 97 -7.279 7.245 -3.250 1.00 0.11 C ATOM 1486 O LEU A 97 -7.850 6.174 -3.263 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.103 7.386 -2.037 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.623 6.994 -2.128 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.966 7.262 -0.768 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.490 5.499 -2.498 1.00 0.13 C ATOM 0 H LEU A 97 -4.732 9.190 -3.751 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.392 6.485 -3.981 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.194 8.387 -1.615 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.623 6.707 -1.361 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.129 7.582 -2.902 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.912 6.989 -0.813 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.057 8.320 -0.522 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.462 6.668 -0.001 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.435 5.232 -2.560 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.974 4.891 -1.734 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.967 5.319 -3.461 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.927 8.360 -3.079 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.404 8.339 -2.894 1.00 0.14 C ATOM 1504 C GLU A 98 -10.080 7.889 -4.192 1.00 0.13 C ATOM 1505 O GLU A 98 -10.838 6.939 -4.213 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.890 9.744 -2.520 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.368 9.696 -2.106 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.732 10.979 -1.352 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -11.425 11.057 -0.173 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.311 11.860 -1.966 1.00 2.05 O ATOM 0 H GLU A 98 -7.499 9.286 -3.059 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.660 7.642 -2.096 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.288 10.140 -1.703 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.763 10.419 -3.366 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -12.000 9.589 -2.988 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.551 8.827 -1.475 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.820 8.573 -5.272 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.455 8.204 -6.569 1.00 0.14 C ATOM 1519 C ALA A 99 -10.069 6.776 -6.973 1.00 0.12 C ATOM 1520 O ALA A 99 -10.880 6.035 -7.486 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.990 9.176 -7.655 1.00 0.15 C ATOM 0 H ALA A 99 -9.192 9.376 -5.312 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.538 8.257 -6.455 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.453 8.909 -8.605 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.280 10.191 -7.383 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.906 9.122 -7.752 1.00 0.15 H new ATOM 1527 N THR A 100 -8.838 6.391 -6.768 1.00 0.11 N ATOM 1528 CA THR A 100 -8.411 5.018 -7.175 1.00 0.11 C ATOM 1529 C THR A 100 -9.126 3.969 -6.320 1.00 0.10 C ATOM 1530 O THR A 100 -9.627 2.984 -6.824 1.00 0.11 O ATOM 1531 CB THR A 100 -6.896 4.878 -6.997 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.251 5.996 -7.588 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.409 3.592 -7.671 1.00 0.12 C ATOM 0 H THR A 100 -8.111 6.964 -6.338 1.00 0.11 H new ATOM 0 HA THR A 100 -8.672 4.861 -8.222 1.00 0.11 H new ATOM 0 HB THR A 100 -6.659 4.835 -5.934 1.00 0.11 H new ATOM 0 HG1 THR A 100 -5.305 5.787 -7.737 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.331 3.499 -7.541 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.905 2.734 -7.218 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.644 3.627 -8.735 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.183 4.169 -5.034 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.873 3.176 -4.162 1.00 0.11 C ATOM 1543 C ILE A 101 -11.342 3.085 -4.585 1.00 0.13 C ATOM 1544 O ILE A 101 -11.854 2.015 -4.840 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.761 3.631 -2.693 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.341 3.322 -2.175 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.800 2.897 -1.829 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -8.057 4.080 -0.868 1.00 0.18 C ATOM 0 H ILE A 101 -8.784 4.973 -4.549 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.411 2.194 -4.262 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.951 4.703 -2.632 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.235 2.250 -2.009 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.606 3.601 -2.929 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.711 3.227 -0.794 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.802 3.121 -2.196 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.625 1.823 -1.884 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -7.050 3.846 -0.523 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.140 5.152 -1.044 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.780 3.780 -0.109 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.020 4.197 -4.669 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.453 4.166 -5.077 1.00 0.17 C ATOM 1562 C ASN A 102 -13.574 3.575 -6.484 1.00 0.18 C ATOM 1563 O ASN A 102 -14.637 3.167 -6.907 1.00 0.21 O ATOM 1564 CB ASN A 102 -14.015 5.588 -5.074 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.528 5.541 -5.300 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -15.983 5.149 -6.357 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.330 5.928 -4.348 1.00 1.03 N ATOM 0 H ASN A 102 -11.644 5.125 -4.473 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.015 3.550 -4.375 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.794 6.076 -4.125 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.538 6.180 -5.855 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.340 5.902 -4.490 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.948 6.257 -3.461 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.494 3.532 -7.214 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.546 2.975 -8.596 1.00 0.18 C ATOM 1576 C GLU A 103 -12.626 1.446 -8.540 1.00 0.19 C ATOM 1577 O GLU A 103 -13.498 0.837 -9.127 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.276 3.384 -9.356 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.499 3.243 -10.870 1.00 0.22 C ATOM 1580 CD GLU A 103 -12.321 4.427 -11.382 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -11.917 5.553 -11.140 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -13.341 4.189 -12.010 1.00 2.02 O ATOM 0 H GLU A 103 -11.576 3.859 -6.913 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.427 3.365 -9.106 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.013 4.414 -9.113 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.439 2.759 -9.044 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -10.540 3.203 -11.387 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.016 2.308 -11.086 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.698 0.824 -7.862 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.678 -0.668 -7.786 1.00 0.19 C ATOM 1591 C LEU A 104 -12.393 -1.152 -6.521 1.00 0.19 C ATOM 1592 O LEU A 104 -12.296 -2.306 -6.154 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.219 -1.142 -7.761 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.385 -0.306 -8.739 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -7.954 -0.848 -8.787 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.004 -0.374 -10.141 1.00 0.35 C ATOM 0 H LEU A 104 -10.946 1.289 -7.353 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.194 -1.078 -8.654 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.814 -1.050 -6.753 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.165 -2.196 -8.032 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.371 0.730 -8.401 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.363 -0.253 -9.483 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.510 -0.792 -7.793 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -7.969 -1.886 -9.120 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -9.407 0.222 -10.832 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.025 -1.410 -10.480 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.021 0.018 -10.109 1.00 0.35 H new ATOM 1608 N VAL A 105 -13.105 -0.293 -5.846 1.00 0.20 N ATOM 1609 CA VAL A 105 -13.805 -0.738 -4.609 1.00 0.22 C ATOM 1610 C VAL A 105 -14.844 -1.803 -4.971 1.00 0.26 C ATOM 1611 O VAL A 105 -15.261 -2.524 -4.079 1.00 1.04 O ATOM 1612 CB VAL A 105 -14.495 0.459 -3.940 1.00 0.23 C ATOM 1613 CG1 VAL A 105 -15.611 0.992 -4.846 1.00 0.24 C ATOM 1614 CG2 VAL A 105 -15.087 0.024 -2.596 1.00 0.27 C ATOM 1615 OXT VAL A 105 -15.200 -1.882 -6.135 1.00 1.18 O ATOM 0 H VAL A 105 -13.232 0.688 -6.094 1.00 0.20 H new ATOM 0 HA VAL A 105 -13.080 -1.160 -3.913 1.00 0.22 H new ATOM 0 HB VAL A 105 -13.762 1.249 -3.775 1.00 0.23 H new ATOM 0 HG11 VAL A 105 -16.096 1.841 -4.365 1.00 0.24 H new ATOM 0 HG12 VAL A 105 -15.186 1.309 -5.799 1.00 0.24 H new ATOM 0 HG13 VAL A 105 -16.345 0.205 -5.020 1.00 0.24 H new ATOM 0 HG21 VAL A 105 -15.577 0.875 -2.122 1.00 0.27 H new ATOM 0 HG22 VAL A 105 -15.816 -0.770 -2.759 1.00 0.27 H new ATOM 0 HG23 VAL A 105 -14.290 -0.343 -1.949 1.00 0.27 H new TER 1625 VAL A 105 ATOM 1626 N PHE B 1 23.423 0.365 5.074 1.00 0.00 N ATOM 1627 CA PHE B 1 22.441 1.469 5.270 1.00 0.00 C ATOM 1628 C PHE B 1 21.135 1.117 4.550 1.00 0.00 C ATOM 1629 O PHE B 1 20.905 -0.022 4.197 1.00 0.00 O ATOM 1630 CB PHE B 1 23.025 2.771 4.710 1.00 0.00 C ATOM 1631 CG PHE B 1 23.710 2.491 3.390 1.00 0.00 C ATOM 1632 CD1 PHE B 1 22.941 2.258 2.236 1.00 0.00 C ATOM 1633 CD2 PHE B 1 25.115 2.464 3.313 1.00 0.00 C ATOM 1634 CE1 PHE B 1 23.575 1.998 1.010 1.00 0.00 C ATOM 1635 CE2 PHE B 1 25.748 2.204 2.085 1.00 0.00 C ATOM 1636 CZ PHE B 1 24.977 1.972 0.934 1.00 0.00 C ATOM 0 H1 PHE B 1 23.968 0.226 5.949 1.00 0.00 H new ATOM 0 H2 PHE B 1 22.917 -0.512 4.839 1.00 0.00 H new ATOM 0 H3 PHE B 1 24.070 0.610 4.298 1.00 0.00 H new ATOM 0 HA PHE B 1 22.235 1.602 6.332 1.00 0.00 H new ATOM 0 HB2 PHE B 1 22.233 3.507 4.572 1.00 0.00 H new ATOM 0 HB3 PHE B 1 23.736 3.197 5.418 1.00 0.00 H new ATOM 0 HD1 PHE B 1 21.863 2.279 2.292 1.00 0.00 H new ATOM 0 HD2 PHE B 1 25.707 2.643 4.198 1.00 0.00 H new ATOM 0 HE1 PHE B 1 22.983 1.818 0.125 1.00 0.00 H new ATOM 0 HE2 PHE B 1 26.826 2.183 2.027 1.00 0.00 H new ATOM 0 HZ PHE B 1 25.463 1.774 -0.010 1.00 0.00 H new ATOM 1648 N ARG B 2 20.268 2.082 4.347 1.00 0.00 N ATOM 1649 CA ARG B 2 18.961 1.806 3.666 1.00 0.00 C ATOM 1650 C ARG B 2 18.770 2.770 2.487 1.00 0.00 C ATOM 1651 O ARG B 2 17.905 3.622 2.515 1.00 0.00 O ATOM 1652 CB ARG B 2 17.816 2.011 4.670 1.00 0.00 C ATOM 1653 CG ARG B 2 17.961 1.043 5.862 1.00 0.00 C ATOM 1654 CD ARG B 2 17.369 1.683 7.126 1.00 0.00 C ATOM 1655 NE ARG B 2 17.243 0.653 8.207 1.00 0.00 N ATOM 1656 CZ ARG B 2 16.498 -0.408 8.057 1.00 0.00 C ATOM 1657 NH1 ARG B 2 15.726 -0.531 7.013 1.00 0.00 N ATOM 1658 NH2 ARG B 2 16.494 -1.331 8.979 1.00 0.00 N ATOM 0 H ARG B 2 20.410 3.053 4.625 1.00 0.00 H new ATOM 0 HA ARG B 2 18.959 0.780 3.298 1.00 0.00 H new ATOM 0 HB2 ARG B 2 17.819 3.041 5.028 1.00 0.00 H new ATOM 0 HB3 ARG B 2 16.858 1.848 4.176 1.00 0.00 H new ATOM 0 HG2 ARG B 2 17.450 0.105 5.645 1.00 0.00 H new ATOM 0 HG3 ARG B 2 19.012 0.804 6.022 1.00 0.00 H new ATOM 0 HD2 ARG B 2 18.006 2.501 7.463 1.00 0.00 H new ATOM 0 HD3 ARG B 2 16.392 2.111 6.904 1.00 0.00 H new ATOM 0 HE ARG B 2 17.752 0.784 9.081 1.00 0.00 H new ATOM 0 HH11 ARG B 2 15.702 0.205 6.307 1.00 0.00 H new ATOM 0 HH12 ARG B 2 15.146 -1.363 6.902 1.00 0.00 H new ATOM 0 HH21 ARG B 2 17.071 -1.222 9.813 1.00 0.00 H new ATOM 0 HH22 ARG B 2 15.913 -2.162 8.866 1.00 0.00 H new ATOM 1672 N PHE B 3 19.561 2.634 1.447 1.00 0.00 N ATOM 1673 CA PHE B 3 19.426 3.532 0.249 1.00 0.00 C ATOM 1674 C PHE B 3 19.214 2.688 -1.012 1.00 0.00 C ATOM 1675 O PHE B 3 19.814 1.646 -1.182 1.00 0.00 O ATOM 1676 CB PHE B 3 20.700 4.377 0.084 1.00 0.00 C ATOM 1677 CG PHE B 3 20.644 5.581 1.001 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.876 5.430 2.377 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.363 6.854 0.472 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.826 6.550 3.226 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.313 7.973 1.320 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.546 7.822 2.697 1.00 0.00 C ATOM 0 H PHE B 3 20.300 1.935 1.375 1.00 0.00 H new ATOM 0 HA PHE B 3 18.569 4.190 0.396 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.579 3.774 0.314 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.799 4.702 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.093 4.453 2.784 1.00 0.00 H new ATOM 0 HD2 PHE B 3 20.186 6.971 -0.587 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.003 6.433 4.285 1.00 0.00 H new ATOM 0 HE2 PHE B 3 20.095 8.949 0.913 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.510 8.682 3.349 1.00 0.00 H new ATOM 1692 N ARG B 4 18.369 3.147 -1.902 1.00 0.00 N ATOM 1693 CA ARG B 4 18.106 2.396 -3.169 1.00 0.00 C ATOM 1694 C ARG B 4 17.917 3.407 -4.312 1.00 0.00 C ATOM 1695 O ARG B 4 18.878 3.918 -4.851 1.00 0.00 O ATOM 1696 CB ARG B 4 16.842 1.535 -2.991 1.00 0.00 C ATOM 1697 CG ARG B 4 17.215 0.137 -2.458 1.00 0.00 C ATOM 1698 CD ARG B 4 17.605 -0.795 -3.616 1.00 0.00 C ATOM 1699 NE ARG B 4 16.393 -1.535 -4.074 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.403 -2.175 -5.212 1.00 0.00 C ATOM 1701 NH1 ARG B 4 17.474 -2.166 -5.958 1.00 0.00 N ATOM 1702 NH2 ARG B 4 15.340 -2.823 -5.604 1.00 0.00 N ATOM 0 H ARG B 4 17.846 4.017 -1.804 1.00 0.00 H new ATOM 0 HA ARG B 4 18.944 1.741 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.156 2.024 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG B 4 16.321 1.441 -3.944 1.00 0.00 H new ATOM 0 HG2 ARG B 4 18.044 0.219 -1.755 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.373 -0.286 -1.911 1.00 0.00 H new ATOM 0 HD2 ARG B 4 18.026 -0.217 -4.439 1.00 0.00 H new ATOM 0 HD3 ARG B 4 18.374 -1.496 -3.292 1.00 0.00 H new ATOM 0 HE ARG B 4 15.553 -1.541 -3.496 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.304 -1.659 -5.652 1.00 0.00 H new ATOM 0 HH12 ARG B 4 17.481 -2.666 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG B 4 14.503 -2.829 -5.022 1.00 0.00 H new ATOM 0 HH22 ARG B 4 15.347 -3.323 -6.493 1.00 0.00 H new ATOM 1716 N TYR B 5 16.689 3.705 -4.683 1.00 0.00 N ATOM 1717 CA TYR B 5 16.443 4.691 -5.790 1.00 0.00 C ATOM 1718 C TYR B 5 15.835 5.995 -5.242 1.00 0.00 C ATOM 1719 O TYR B 5 15.810 6.229 -4.051 1.00 0.00 O ATOM 1720 CB TYR B 5 15.552 4.059 -6.877 1.00 0.00 C ATOM 1721 CG TYR B 5 14.522 3.139 -6.263 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.853 1.794 -6.017 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.232 3.605 -5.975 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.897 0.920 -5.471 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.274 2.729 -5.437 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.607 1.388 -5.182 1.00 0.00 C ATOM 1727 OH TYR B 5 11.663 0.531 -4.652 1.00 0.00 O ATOM 0 H TYR B 5 15.847 3.308 -4.266 1.00 0.00 H new ATOM 0 HA TYR B 5 17.398 4.950 -6.247 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.052 4.844 -7.445 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.170 3.501 -7.581 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.844 1.432 -6.248 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.974 4.636 -6.166 1.00 0.00 H new ATOM 0 HE1 TYR B 5 14.155 -0.110 -5.274 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.279 3.088 -5.219 1.00 0.00 H new ATOM 0 HH TYR B 5 12.094 -0.311 -4.394 1.00 0.00 H new ATOM 1737 N VAL B 6 15.426 6.879 -6.121 1.00 0.00 N ATOM 1738 CA VAL B 6 14.911 8.221 -5.688 1.00 0.00 C ATOM 1739 C VAL B 6 13.467 8.173 -5.182 1.00 0.00 C ATOM 1740 O VAL B 6 12.655 7.378 -5.620 1.00 0.00 O ATOM 1741 CB VAL B 6 14.965 9.185 -6.880 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.927 10.633 -6.380 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.252 8.952 -7.665 1.00 0.00 C ATOM 0 H VAL B 6 15.426 6.728 -7.130 1.00 0.00 H new ATOM 0 HA VAL B 6 15.544 8.553 -4.865 1.00 0.00 H new ATOM 0 HB VAL B 6 14.105 9.005 -7.526 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.966 11.313 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.006 10.801 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.783 10.816 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.291 9.637 -8.512 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.110 9.128 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.276 7.924 -8.028 1.00 0.00 H new ATOM 1753 N CYS B 7 13.142 9.082 -4.293 1.00 0.00 N ATOM 1754 CA CYS B 7 11.751 9.191 -3.768 1.00 0.00 C ATOM 1755 C CYS B 7 11.054 10.360 -4.468 1.00 0.00 C ATOM 1756 O CYS B 7 11.205 11.501 -4.081 1.00 0.00 O ATOM 1757 CB CYS B 7 11.779 9.457 -2.256 1.00 0.00 C ATOM 1758 SG CYS B 7 13.084 8.480 -1.474 1.00 0.00 S ATOM 0 H CYS B 7 13.796 9.762 -3.905 1.00 0.00 H new ATOM 0 HA CYS B 7 11.217 8.260 -3.957 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.947 10.518 -2.069 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.814 9.205 -1.817 1.00 0.00 H new ATOM 1763 N GLU B 8 10.298 10.099 -5.498 1.00 0.00 N ATOM 1764 CA GLU B 8 9.611 11.219 -6.206 1.00 0.00 C ATOM 1765 C GLU B 8 8.304 11.563 -5.487 1.00 0.00 C ATOM 1766 O GLU B 8 7.269 11.759 -6.100 1.00 0.00 O ATOM 1767 CB GLU B 8 9.322 10.814 -7.656 1.00 0.00 C ATOM 1768 CG GLU B 8 8.882 9.349 -7.703 1.00 0.00 C ATOM 1769 CD GLU B 8 8.245 9.049 -9.062 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.957 9.098 -10.051 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.056 8.777 -9.089 1.00 0.00 O ATOM 0 H GLU B 8 10.126 9.168 -5.879 1.00 0.00 H new ATOM 0 HA GLU B 8 10.258 12.097 -6.204 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.543 11.452 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.213 10.956 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.739 8.696 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.170 9.147 -6.903 1.00 0.00 H new ATOM 1778 N GLY B 9 8.353 11.685 -4.193 1.00 0.00 N ATOM 1779 CA GLY B 9 7.127 12.075 -3.448 1.00 0.00 C ATOM 1780 C GLY B 9 6.871 13.561 -3.752 1.00 0.00 C ATOM 1781 O GLY B 9 6.945 13.947 -4.901 1.00 0.00 O ATOM 0 H GLY B 9 9.184 11.533 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.278 11.466 -3.757 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.259 11.917 -2.378 1.00 0.00 H new ATOM 1785 N PRO B 10 6.620 14.378 -2.750 1.00 0.00 N ATOM 1786 CA PRO B 10 6.417 15.819 -2.993 1.00 0.00 C ATOM 1787 C PRO B 10 7.759 16.445 -3.399 1.00 0.00 C ATOM 1788 O PRO B 10 8.005 17.615 -3.183 1.00 0.00 O ATOM 1789 CB PRO B 10 5.924 16.382 -1.644 1.00 0.00 C ATOM 1790 CG PRO B 10 6.011 15.235 -0.600 1.00 0.00 C ATOM 1791 CD PRO B 10 6.501 13.971 -1.333 1.00 0.00 C ATOM 0 HA PRO B 10 5.704 16.029 -3.791 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.537 17.229 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.900 16.744 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.697 15.501 0.204 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.037 15.059 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.458 13.630 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.796 13.148 -1.216 1.00 0.00 H new ATOM 1799 N SER B 11 8.634 15.662 -3.974 1.00 0.00 N ATOM 1800 CA SER B 11 9.969 16.187 -4.383 1.00 0.00 C ATOM 1801 C SER B 11 9.886 16.754 -5.803 1.00 0.00 C ATOM 1802 O SER B 11 10.532 17.730 -6.131 1.00 0.00 O ATOM 1803 CB SER B 11 10.987 15.042 -4.340 1.00 0.00 C ATOM 1804 OG SER B 11 12.301 15.582 -4.288 1.00 0.00 O ATOM 0 H SER B 11 8.479 14.675 -4.179 1.00 0.00 H new ATOM 0 HA SER B 11 10.279 16.980 -3.703 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.806 14.412 -3.469 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.876 14.409 -5.220 1.00 0.00 H new ATOM 0 HG SER B 11 12.954 14.852 -4.259 1.00 0.00 H new ATOM 1810 N HIS B 12 9.095 16.149 -6.646 1.00 0.00 N ATOM 1811 CA HIS B 12 8.970 16.652 -8.046 1.00 0.00 C ATOM 1812 C HIS B 12 7.998 17.835 -8.075 1.00 0.00 C ATOM 1813 O HIS B 12 7.187 18.008 -7.189 1.00 0.00 O ATOM 1814 CB HIS B 12 8.439 15.528 -8.941 1.00 0.00 C ATOM 1815 CG HIS B 12 8.199 16.056 -10.330 1.00 0.00 C ATOM 1816 ND1 HIS B 12 7.018 16.687 -10.684 1.00 0.00 N ATOM 1817 CD2 HIS B 12 8.979 16.054 -11.460 1.00 0.00 C ATOM 1818 CE1 HIS B 12 7.119 17.037 -11.980 1.00 0.00 C ATOM 1819 NE2 HIS B 12 8.294 16.674 -12.502 1.00 0.00 N ATOM 0 H HIS B 12 8.530 15.329 -6.427 1.00 0.00 H new ATOM 0 HA HIS B 12 9.945 16.976 -8.409 1.00 0.00 H new ATOM 0 HB2 HIS B 12 9.155 14.706 -8.972 1.00 0.00 H new ATOM 0 HB3 HIS B 12 7.513 15.128 -8.528 1.00 0.00 H new ATOM 0 HD2 HIS B 12 9.972 15.635 -11.530 1.00 0.00 H new ATOM 0 HE1 HIS B 12 6.344 17.549 -12.531 1.00 0.00 H new ATOM 0 HE2 HIS B 12 8.619 16.820 -13.458 1.00 0.00 H new ATOM 1827 N GLY B 13 8.075 18.650 -9.093 1.00 0.00 N ATOM 1828 CA GLY B 13 7.157 19.822 -9.184 1.00 0.00 C ATOM 1829 C GLY B 13 7.671 20.788 -10.252 1.00 0.00 C ATOM 1830 O GLY B 13 8.811 20.635 -10.660 1.00 0.00 O ATOM 1831 OXT GLY B 13 6.918 21.663 -10.644 1.00 0.00 O ATOM 0 H GLY B 13 8.734 18.555 -9.866 1.00 0.00 H new ATOM 0 HA2 GLY B 13 6.149 19.490 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY B 13 7.097 20.327 -8.220 1.00 0.00 H new TER 1835 GLY B 13 HETATM 1836 O HOH A 106 -7.061 -10.586 -1.289 1.00 0.24 O HETATM 1839 O HOH A 107 8.791 -3.166 5.114 1.00 0.40 O HETATM 1842 O HOH A 108 12.446 1.303 2.100 1.00 0.32 O HETATM 1845 O HOH A 109 -9.101 -8.988 -0.215 1.00 0.26 O HETATM 1848 O HOH A 110 -7.609 -13.042 0.355 1.00 0.21 O HETATM 1851 O HOH A 111 -12.432 -2.914 0.393 1.00 0.37 O