USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 853 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 ASN : amide:sc= -1.58 K(o=-3.3,f=-7.5!) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 170:sc= -1.73 (180deg=-1.48) USER MOD Set 2.1: A 21 LYS NZ :NH3+ -136:sc= -6.2! (180deg=-0.736) USER MOD Set 2.2: A 51 ASN : amide:sc= -8.19! C(o=-14!,f=-12!) USER MOD Single : A 3 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.138) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -112:sc= -1.31 (180deg=-2.75) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.34! K(o=-1.3!,f=0) USER MOD Single : A 28 SER OG : rot 171:sc= -0.599 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -122:sc= -2.59! (180deg=-5.04!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -127:sc= -0.885 (180deg=-2.45!) USER MOD Single : A 43 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.078) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 110:sc= 0.856 USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= -0.431 (180deg=-1.1) USER MOD Single : A 49 TYR OH : rot -111:sc= 0.112 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 67 SER OG : rot 88:sc= 1.12 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.878 USER MOD Single : A 76 THR OG1 : rot -47:sc= -0.556! USER MOD Single : A 78 GLN : amide:sc= -5.67! C(o=-5.7!,f=-5.9!) USER MOD Single : A 81 LYS NZ :NH3+ -115:sc= -2.87! (180deg=-5.01!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.478 X(o=-0.48,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= 0.357 (180deg=0.0369) USER MOD Single : A 90 SER OG : rot 133:sc= 1.05 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 86:sc= 0.336 USER MOD Single : A 102 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2.1!) USER MOD Single : B 5 TYR OH : rot 4:sc= -4.12! USER MOD Single : B 11 SER OG : rot -50:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -3.710 -1.549 9.332 1.00 0.24 N ATOM 21 CA VAL A 2 -2.577 -1.569 8.355 1.00 0.19 C ATOM 22 C VAL A 2 -1.862 -2.922 8.426 1.00 0.22 C ATOM 23 O VAL A 2 -2.246 -3.801 9.171 1.00 0.28 O ATOM 24 CB VAL A 2 -1.592 -0.445 8.713 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.531 -0.279 7.605 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.366 0.866 8.891 1.00 0.30 C ATOM 0 HA VAL A 2 -2.957 -1.419 7.344 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.082 -0.702 9.641 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.157 0.521 7.877 1.00 0.18 H new ATOM 0 HG12 VAL A 2 0.023 -1.210 7.490 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -1.023 -0.031 6.665 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -1.672 1.667 9.145 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.881 1.113 7.963 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.096 0.751 9.692 1.00 0.30 H new ATOM 36 N LYS A 3 -0.824 -3.087 7.653 1.00 0.18 N ATOM 37 CA LYS A 3 -0.070 -4.374 7.661 1.00 0.22 C ATOM 38 C LYS A 3 1.364 -4.100 7.212 1.00 0.16 C ATOM 39 O LYS A 3 1.601 -3.604 6.128 1.00 0.13 O ATOM 40 CB LYS A 3 -0.724 -5.357 6.683 1.00 0.26 C ATOM 41 CG LYS A 3 -0.028 -6.735 6.744 1.00 0.34 C ATOM 42 CD LYS A 3 -0.653 -7.604 7.842 1.00 0.81 C ATOM 43 CE LYS A 3 0.231 -8.833 8.080 1.00 1.37 C ATOM 44 NZ LYS A 3 1.419 -8.440 8.887 1.00 1.97 N ATOM 0 H LYS A 3 -0.463 -2.381 7.012 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.077 -4.803 8.663 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.781 -5.467 6.924 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.668 -4.960 5.669 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.117 -7.237 5.780 1.00 0.34 H new ATOM 0 HG3 LYS A 3 1.036 -6.603 6.938 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -0.753 -7.030 8.763 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.656 -7.914 7.549 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.335 -9.607 8.599 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.549 -9.256 7.127 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.871 -9.292 9.277 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 2.097 -7.934 8.282 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 1.120 -7.819 9.666 1.00 1.97 H new ATOM 58 N GLN A 4 2.321 -4.419 8.035 1.00 0.18 N ATOM 59 CA GLN A 4 3.743 -4.183 7.660 1.00 0.15 C ATOM 60 C GLN A 4 4.310 -5.438 6.994 1.00 0.13 C ATOM 61 O GLN A 4 4.194 -6.533 7.508 1.00 0.14 O ATOM 62 CB GLN A 4 4.549 -3.864 8.923 1.00 0.20 C ATOM 63 CG GLN A 4 6.054 -3.923 8.615 1.00 0.21 C ATOM 64 CD GLN A 4 6.840 -3.184 9.699 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.533 -3.289 10.870 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.852 -2.437 9.351 1.00 0.98 N ATOM 0 H GLN A 4 2.180 -4.835 8.956 1.00 0.18 H new ATOM 0 HA GLN A 4 3.806 -3.346 6.964 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.284 -2.874 9.293 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.302 -4.576 9.711 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.382 -4.961 8.561 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.252 -3.475 7.641 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.108 -2.351 8.367 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.387 -1.940 10.063 1.00 0.98 H new ATOM 75 N ILE A 5 4.944 -5.279 5.863 1.00 0.10 N ATOM 76 CA ILE A 5 5.554 -6.441 5.151 1.00 0.10 C ATOM 77 C ILE A 5 7.077 -6.314 5.268 1.00 0.10 C ATOM 78 O ILE A 5 7.676 -5.450 4.660 1.00 0.11 O ATOM 79 CB ILE A 5 5.177 -6.390 3.672 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.674 -6.054 3.489 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.547 -7.713 2.985 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.746 -7.017 4.253 1.00 0.19 C ATOM 0 H ILE A 5 5.067 -4.381 5.395 1.00 0.10 H new ATOM 0 HA ILE A 5 5.200 -7.376 5.585 1.00 0.10 H new ATOM 0 HB ILE A 5 5.745 -5.590 3.196 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.491 -5.035 3.829 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.427 -6.085 2.428 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.273 -7.665 1.931 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.620 -7.881 3.074 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.010 -8.533 3.462 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.708 -6.731 4.086 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.904 -8.035 3.896 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.969 -6.968 5.319 1.00 0.19 H new ATOM 94 N GLU A 6 7.708 -7.148 6.044 1.00 0.11 N ATOM 95 CA GLU A 6 9.191 -7.050 6.200 1.00 0.14 C ATOM 96 C GLU A 6 9.869 -8.083 5.296 1.00 0.14 C ATOM 97 O GLU A 6 11.070 -8.063 5.107 1.00 0.17 O ATOM 98 CB GLU A 6 9.544 -7.328 7.657 1.00 0.18 C ATOM 99 CG GLU A 6 8.610 -6.523 8.560 1.00 0.31 C ATOM 100 CD GLU A 6 9.095 -6.601 10.009 1.00 1.20 C ATOM 101 OE1 GLU A 6 10.093 -5.967 10.314 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.461 -7.291 10.789 1.00 1.96 O ATOM 0 H GLU A 6 7.264 -7.895 6.579 1.00 0.11 H new ATOM 0 HA GLU A 6 9.534 -6.054 5.919 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.448 -8.393 7.871 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.582 -7.056 7.851 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.579 -5.484 8.233 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.594 -6.911 8.486 1.00 0.31 H new ATOM 109 N SER A 7 9.107 -8.980 4.726 1.00 0.13 N ATOM 110 CA SER A 7 9.704 -10.009 3.824 1.00 0.15 C ATOM 111 C SER A 7 8.653 -10.490 2.823 1.00 0.14 C ATOM 112 O SER A 7 7.465 -10.415 3.067 1.00 0.12 O ATOM 113 CB SER A 7 10.201 -11.189 4.656 1.00 0.20 C ATOM 114 OG SER A 7 9.217 -11.530 5.625 1.00 0.23 O ATOM 0 H SER A 7 8.096 -9.044 4.846 1.00 0.13 H new ATOM 0 HA SER A 7 10.541 -9.571 3.281 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.404 -12.044 4.011 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.139 -10.932 5.148 1.00 0.20 H new ATOM 0 HG SER A 7 9.533 -12.288 6.159 1.00 0.23 H new ATOM 120 N LYS A 8 9.085 -10.983 1.697 1.00 0.15 N ATOM 121 CA LYS A 8 8.121 -11.470 0.671 1.00 0.14 C ATOM 122 C LYS A 8 7.145 -12.466 1.305 1.00 0.14 C ATOM 123 O LYS A 8 6.042 -12.651 0.835 1.00 0.13 O ATOM 124 CB LYS A 8 8.889 -12.153 -0.465 1.00 0.17 C ATOM 125 CG LYS A 8 7.995 -12.248 -1.703 1.00 0.21 C ATOM 126 CD LYS A 8 8.648 -13.167 -2.737 1.00 0.22 C ATOM 127 CE LYS A 8 7.930 -13.013 -4.078 1.00 1.06 C ATOM 128 NZ LYS A 8 8.131 -11.628 -4.591 1.00 1.90 N ATOM 0 H LYS A 8 10.069 -11.070 1.441 1.00 0.15 H new ATOM 0 HA LYS A 8 7.559 -10.625 0.274 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.792 -11.589 -0.698 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.207 -13.149 -0.156 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.014 -12.634 -1.427 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.840 -11.257 -2.129 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.703 -12.918 -2.846 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.598 -14.203 -2.402 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.316 -13.738 -4.795 1.00 1.06 H new ATOM 0 HE3 LYS A 8 6.866 -13.218 -3.959 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 7.226 -11.117 -4.574 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 8.820 -11.132 -3.991 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.488 -11.668 -5.567 1.00 1.90 H new ATOM 142 N THR A 9 7.540 -13.112 2.362 1.00 0.16 N ATOM 143 CA THR A 9 6.625 -14.090 3.009 1.00 0.18 C ATOM 144 C THR A 9 5.345 -13.381 3.458 1.00 0.16 C ATOM 145 O THR A 9 4.248 -13.850 3.228 1.00 0.17 O ATOM 146 CB THR A 9 7.317 -14.711 4.213 1.00 0.21 C ATOM 147 OG1 THR A 9 8.478 -15.411 3.783 1.00 0.24 O ATOM 148 CG2 THR A 9 6.363 -15.681 4.912 1.00 0.25 C ATOM 0 H THR A 9 8.453 -13.007 2.805 1.00 0.16 H new ATOM 0 HA THR A 9 6.368 -14.873 2.295 1.00 0.18 H new ATOM 0 HB THR A 9 7.604 -13.924 4.911 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.925 -15.810 4.558 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.862 -16.124 5.774 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.475 -15.143 5.244 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.071 -16.469 4.217 1.00 0.25 H new ATOM 156 N ALA A 10 5.478 -12.253 4.100 1.00 0.16 N ATOM 157 CA ALA A 10 4.274 -11.508 4.571 1.00 0.17 C ATOM 158 C ALA A 10 3.533 -10.903 3.373 1.00 0.15 C ATOM 159 O ALA A 10 2.349 -10.640 3.433 1.00 0.17 O ATOM 160 CB ALA A 10 4.708 -10.391 5.522 1.00 0.20 C ATOM 0 H ALA A 10 6.372 -11.813 4.320 1.00 0.16 H new ATOM 0 HA ALA A 10 3.607 -12.195 5.093 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.830 -9.845 5.867 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.227 -10.823 6.378 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.377 -9.708 4.999 1.00 0.20 H new ATOM 166 N PHE A 11 4.222 -10.670 2.288 1.00 0.12 N ATOM 167 CA PHE A 11 3.553 -10.072 1.096 1.00 0.11 C ATOM 168 C PHE A 11 2.404 -10.969 0.633 1.00 0.13 C ATOM 169 O PHE A 11 1.252 -10.602 0.715 1.00 0.16 O ATOM 170 CB PHE A 11 4.567 -9.915 -0.043 1.00 0.10 C ATOM 171 CG PHE A 11 3.868 -9.413 -1.286 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.387 -8.090 -1.338 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.698 -10.267 -2.395 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.737 -7.622 -2.497 1.00 0.20 C ATOM 175 CE2 PHE A 11 3.048 -9.798 -3.553 1.00 0.18 C ATOM 176 CZ PHE A 11 2.568 -8.476 -3.605 1.00 0.21 C ATOM 0 H PHE A 11 5.216 -10.867 2.175 1.00 0.12 H new ATOM 0 HA PHE A 11 3.157 -9.094 1.369 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.352 -9.218 0.250 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.049 -10.871 -0.247 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.517 -7.435 -0.489 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.066 -11.281 -2.356 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.368 -6.608 -2.536 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.918 -10.453 -4.402 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.070 -8.116 -4.494 1.00 0.21 H new ATOM 186 N GLN A 12 2.707 -12.136 0.134 1.00 0.15 N ATOM 187 CA GLN A 12 1.624 -13.042 -0.348 1.00 0.19 C ATOM 188 C GLN A 12 0.619 -13.288 0.776 1.00 0.17 C ATOM 189 O GLN A 12 -0.578 -13.255 0.567 1.00 0.16 O ATOM 190 CB GLN A 12 2.230 -14.376 -0.787 1.00 0.24 C ATOM 191 CG GLN A 12 3.378 -14.121 -1.764 1.00 1.21 C ATOM 192 CD GLN A 12 3.942 -15.457 -2.247 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.763 -15.495 -3.143 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.534 -16.564 -1.689 1.00 2.47 N ATOM 0 H GLN A 12 3.655 -12.501 0.039 1.00 0.15 H new ATOM 0 HA GLN A 12 1.116 -12.576 -1.192 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.593 -14.925 0.082 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.468 -14.995 -1.260 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.024 -13.535 -2.612 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.160 -13.538 -1.278 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.845 -16.533 -0.937 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.904 -17.461 -2.005 1.00 2.47 H new ATOM 203 N GLU A 13 1.090 -13.542 1.962 1.00 0.19 N ATOM 204 CA GLU A 13 0.160 -13.799 3.092 1.00 0.20 C ATOM 205 C GLU A 13 -0.769 -12.596 3.284 1.00 0.18 C ATOM 206 O GLU A 13 -1.931 -12.748 3.603 1.00 0.19 O ATOM 207 CB GLU A 13 0.975 -14.038 4.366 1.00 0.25 C ATOM 208 CG GLU A 13 1.520 -15.470 4.378 1.00 0.30 C ATOM 209 CD GLU A 13 0.394 -16.452 4.713 1.00 1.29 C ATOM 210 OE1 GLU A 13 -0.603 -16.020 5.265 1.00 2.10 O ATOM 211 OE2 GLU A 13 0.549 -17.625 4.409 1.00 2.03 O ATOM 0 H GLU A 13 2.081 -13.583 2.198 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.446 -14.679 2.876 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.799 -13.326 4.420 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.351 -13.870 5.244 1.00 0.25 H new ATOM 0 HG2 GLU A 13 1.950 -15.713 3.406 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.321 -15.558 5.112 1.00 0.30 H new ATOM 218 N ALA A 14 -0.275 -11.403 3.090 1.00 0.18 N ATOM 219 CA ALA A 14 -1.151 -10.211 3.265 1.00 0.18 C ATOM 220 C ALA A 14 -2.324 -10.305 2.283 1.00 0.18 C ATOM 221 O ALA A 14 -3.470 -10.129 2.646 1.00 0.19 O ATOM 222 CB ALA A 14 -0.345 -8.942 2.980 1.00 0.20 C ATOM 0 H ALA A 14 0.688 -11.204 2.820 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.529 -10.176 4.287 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.984 -8.069 3.108 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.495 -8.881 3.672 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.030 -8.971 1.957 1.00 0.20 H new ATOM 228 N LEU A 15 -2.037 -10.588 1.041 1.00 0.17 N ATOM 229 CA LEU A 15 -3.118 -10.702 0.015 1.00 0.18 C ATOM 230 C LEU A 15 -4.023 -11.892 0.345 1.00 0.18 C ATOM 231 O LEU A 15 -5.230 -11.822 0.219 1.00 0.18 O ATOM 232 CB LEU A 15 -2.489 -10.913 -1.368 1.00 0.19 C ATOM 233 CG LEU A 15 -1.243 -10.037 -1.512 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.719 -10.133 -2.946 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.599 -8.582 -1.198 1.00 0.62 C ATOM 0 H LEU A 15 -1.093 -10.747 0.689 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.710 -9.787 0.015 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.224 -11.962 -1.501 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.210 -10.666 -2.147 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.476 -10.380 -0.817 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.169 -9.510 -3.051 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.464 -11.169 -3.172 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.488 -9.789 -3.638 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.710 -7.960 -1.301 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.366 -8.237 -1.892 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.975 -8.512 -0.177 1.00 0.62 H new ATOM 247 N ASP A 16 -3.448 -12.989 0.751 1.00 0.19 N ATOM 248 CA ASP A 16 -4.273 -14.186 1.071 1.00 0.21 C ATOM 249 C ASP A 16 -5.210 -13.870 2.240 1.00 0.20 C ATOM 250 O ASP A 16 -6.385 -14.177 2.202 1.00 0.20 O ATOM 251 CB ASP A 16 -3.351 -15.350 1.449 1.00 0.24 C ATOM 252 CG ASP A 16 -4.190 -16.533 1.939 1.00 0.28 C ATOM 253 OD1 ASP A 16 -4.472 -16.583 3.125 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.533 -17.372 1.121 1.00 1.09 O ATOM 0 H ASP A 16 -2.443 -13.108 0.875 1.00 0.19 H new ATOM 0 HA ASP A 16 -4.869 -14.461 0.200 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.753 -15.648 0.588 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -2.655 -15.038 2.228 1.00 0.24 H new ATOM 259 N ALA A 17 -4.704 -13.262 3.277 1.00 0.22 N ATOM 260 CA ALA A 17 -5.574 -12.934 4.441 1.00 0.24 C ATOM 261 C ALA A 17 -6.405 -11.687 4.128 1.00 0.21 C ATOM 262 O ALA A 17 -7.330 -11.354 4.840 1.00 0.22 O ATOM 263 CB ALA A 17 -4.704 -12.671 5.671 1.00 0.30 C ATOM 0 H ALA A 17 -3.728 -12.979 3.369 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.241 -13.773 4.640 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.341 -12.431 6.522 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -4.115 -13.560 5.897 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -4.035 -11.834 5.471 1.00 0.30 H new ATOM 269 N ALA A 18 -6.085 -10.994 3.069 1.00 0.21 N ATOM 270 CA ALA A 18 -6.864 -9.772 2.721 1.00 0.22 C ATOM 271 C ALA A 18 -8.278 -10.171 2.297 1.00 0.21 C ATOM 272 O ALA A 18 -9.131 -9.335 2.079 1.00 0.24 O ATOM 273 CB ALA A 18 -6.175 -9.033 1.571 1.00 0.23 C ATOM 0 H ALA A 18 -5.321 -11.220 2.432 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.917 -9.117 3.591 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.746 -8.140 1.318 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.168 -8.746 1.874 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.119 -9.686 0.700 1.00 0.23 H new ATOM 279 N GLY A 19 -8.535 -11.446 2.178 1.00 0.22 N ATOM 280 CA GLY A 19 -9.896 -11.896 1.769 1.00 0.24 C ATOM 281 C GLY A 19 -10.151 -11.498 0.316 1.00 0.20 C ATOM 282 O GLY A 19 -9.545 -12.025 -0.597 1.00 0.28 O ATOM 0 H GLY A 19 -7.862 -12.194 2.346 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.982 -12.977 1.881 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.649 -11.447 2.417 1.00 0.24 H new ATOM 286 N ASP A 20 -11.046 -10.570 0.093 1.00 0.13 N ATOM 287 CA ASP A 20 -11.354 -10.126 -1.302 1.00 0.18 C ATOM 288 C ASP A 20 -11.488 -8.602 -1.332 1.00 0.15 C ATOM 289 O ASP A 20 -11.820 -8.022 -2.346 1.00 0.22 O ATOM 290 CB ASP A 20 -12.669 -10.763 -1.760 1.00 0.26 C ATOM 291 CG ASP A 20 -12.583 -12.284 -1.604 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.852 -12.764 -0.516 1.00 2.21 O ATOM 293 OD2 ASP A 20 -12.250 -12.941 -2.577 1.00 2.19 O ATOM 0 H ASP A 20 -11.581 -10.097 0.822 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.549 -10.434 -1.969 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -13.499 -10.373 -1.171 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.868 -10.504 -2.800 1.00 0.26 H new ATOM 298 N LYS A 21 -11.231 -7.944 -0.232 1.00 0.12 N ATOM 299 CA LYS A 21 -11.344 -6.464 -0.215 1.00 0.19 C ATOM 300 C LYS A 21 -10.232 -5.852 -1.051 1.00 0.15 C ATOM 301 O LYS A 21 -9.327 -6.526 -1.500 1.00 0.15 O ATOM 302 CB LYS A 21 -11.208 -5.975 1.217 1.00 0.27 C ATOM 303 CG LYS A 21 -12.491 -6.279 1.971 1.00 0.29 C ATOM 304 CD LYS A 21 -12.347 -5.786 3.402 1.00 0.30 C ATOM 305 CE LYS A 21 -13.723 -5.712 4.046 1.00 1.12 C ATOM 306 NZ LYS A 21 -14.540 -4.673 3.361 1.00 1.90 N ATOM 0 H LYS A 21 -10.949 -8.370 0.651 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.310 -6.171 -0.625 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.362 -6.463 1.702 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.009 -4.903 1.231 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.338 -5.792 1.487 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -12.691 -7.350 1.959 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.703 -6.459 3.968 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.873 -4.805 3.415 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.219 -6.680 3.980 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -13.627 -5.474 5.105 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -15.040 -4.101 4.071 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.919 -4.059 2.797 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -15.233 -5.132 2.736 1.00 1.90 H new ATOM 320 N LEU A 22 -10.291 -4.569 -1.250 1.00 0.13 N ATOM 321 CA LEU A 22 -9.232 -3.903 -2.044 1.00 0.11 C ATOM 322 C LEU A 22 -7.932 -3.948 -1.226 1.00 0.10 C ATOM 323 O LEU A 22 -7.959 -4.111 -0.021 1.00 0.11 O ATOM 324 CB LEU A 22 -9.657 -2.441 -2.327 1.00 0.12 C ATOM 325 CG LEU A 22 -9.508 -2.056 -3.814 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.765 -0.548 -3.944 1.00 0.17 C ATOM 327 CD2 LEU A 22 -8.095 -2.386 -4.340 1.00 0.11 C ATOM 0 H LEU A 22 -11.025 -3.955 -0.898 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.078 -4.405 -2.999 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.694 -2.303 -2.022 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.054 -1.767 -1.719 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.224 -2.626 -4.405 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.665 -0.251 -4.988 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.772 -0.319 -3.596 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.040 -0.002 -3.340 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -8.022 -2.103 -5.390 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.354 -1.833 -3.763 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.910 -3.455 -4.239 1.00 0.11 H new ATOM 339 N VAL A 23 -6.802 -3.804 -1.860 1.00 0.08 N ATOM 340 CA VAL A 23 -5.509 -3.836 -1.112 1.00 0.09 C ATOM 341 C VAL A 23 -4.538 -2.840 -1.743 1.00 0.08 C ATOM 342 O VAL A 23 -3.985 -3.080 -2.798 1.00 0.09 O ATOM 343 CB VAL A 23 -4.910 -5.242 -1.180 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.737 -5.345 -0.202 1.00 0.12 C ATOM 345 CG2 VAL A 23 -5.980 -6.270 -0.803 1.00 0.10 C ATOM 0 H VAL A 23 -6.715 -3.665 -2.867 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.685 -3.569 -0.070 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.557 -5.438 -2.192 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.310 -6.347 -0.250 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -2.975 -4.613 -0.469 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.089 -5.149 0.811 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.555 -7.272 -0.851 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.333 -6.074 0.210 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.816 -6.197 -1.499 1.00 0.10 H new ATOM 355 N VAL A 24 -4.320 -1.724 -1.095 1.00 0.08 N ATOM 356 CA VAL A 24 -3.378 -0.699 -1.638 1.00 0.08 C ATOM 357 C VAL A 24 -2.056 -0.804 -0.879 1.00 0.08 C ATOM 358 O VAL A 24 -2.029 -0.890 0.332 1.00 0.08 O ATOM 359 CB VAL A 24 -3.981 0.698 -1.453 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.285 1.695 -2.383 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.476 0.655 -1.782 1.00 0.09 C ATOM 0 H VAL A 24 -4.757 -1.477 -0.207 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.206 -0.869 -2.701 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.840 1.014 -0.419 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.719 2.685 -2.245 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.221 1.730 -2.149 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.418 1.381 -3.418 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.906 1.648 -1.651 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.612 0.334 -2.815 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.975 -0.048 -1.115 1.00 0.09 H new ATOM 371 N VAL A 25 -0.960 -0.820 -1.588 1.00 0.09 N ATOM 372 CA VAL A 25 0.379 -0.945 -0.930 1.00 0.09 C ATOM 373 C VAL A 25 1.140 0.367 -1.053 1.00 0.10 C ATOM 374 O VAL A 25 1.193 0.969 -2.105 1.00 0.17 O ATOM 375 CB VAL A 25 1.175 -2.040 -1.638 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.366 -2.462 -0.772 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.267 -3.242 -1.883 1.00 0.09 C ATOM 0 H VAL A 25 -0.932 -0.751 -2.605 1.00 0.09 H new ATOM 0 HA VAL A 25 0.243 -1.190 0.123 1.00 0.09 H new ATOM 0 HB VAL A 25 1.546 -1.660 -2.590 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.929 -3.243 -1.283 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.013 -1.602 -0.599 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.005 -2.842 0.184 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.830 -4.027 -2.388 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.104 -3.618 -0.930 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.575 -2.941 -2.506 1.00 0.09 H new ATOM 387 N ASP A 26 1.751 0.799 0.013 1.00 0.08 N ATOM 388 CA ASP A 26 2.539 2.063 -0.023 1.00 0.08 C ATOM 389 C ASP A 26 4.025 1.713 -0.005 1.00 0.08 C ATOM 390 O ASP A 26 4.588 1.404 1.027 1.00 0.09 O ATOM 391 CB ASP A 26 2.196 2.908 1.206 1.00 0.09 C ATOM 392 CG ASP A 26 3.161 4.095 1.304 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.372 4.746 0.294 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.669 4.331 2.387 1.00 0.96 O ATOM 0 H ASP A 26 1.739 0.326 0.917 1.00 0.08 H new ATOM 0 HA ASP A 26 2.302 2.628 -0.925 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.169 3.267 1.137 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.261 2.299 2.108 1.00 0.09 H new ATOM 399 N PHE A 27 4.672 1.767 -1.136 1.00 0.08 N ATOM 400 CA PHE A 27 6.123 1.451 -1.174 1.00 0.09 C ATOM 401 C PHE A 27 6.878 2.727 -0.819 1.00 0.11 C ATOM 402 O PHE A 27 7.326 3.455 -1.683 1.00 0.13 O ATOM 403 CB PHE A 27 6.512 1.007 -2.587 1.00 0.10 C ATOM 404 CG PHE A 27 6.135 -0.443 -2.808 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.805 -0.801 -3.113 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.127 -1.438 -2.727 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.474 -2.157 -3.332 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.795 -2.789 -2.947 1.00 0.21 C ATOM 409 CZ PHE A 27 5.470 -3.147 -3.251 1.00 0.23 C ATOM 0 H PHE A 27 4.257 2.016 -2.034 1.00 0.08 H new ATOM 0 HA PHE A 27 6.363 0.651 -0.474 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.011 1.636 -3.323 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.584 1.137 -2.733 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.041 -0.040 -3.179 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.146 -1.165 -2.495 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.456 -2.434 -3.562 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.559 -3.550 -2.882 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.217 -4.183 -3.422 1.00 0.23 H new ATOM 419 N SER A 28 6.996 3.011 0.455 1.00 0.11 N ATOM 420 CA SER A 28 7.703 4.248 0.907 1.00 0.12 C ATOM 421 C SER A 28 8.965 3.865 1.673 1.00 0.10 C ATOM 422 O SER A 28 9.025 2.839 2.320 1.00 0.11 O ATOM 423 CB SER A 28 6.782 5.046 1.827 1.00 0.17 C ATOM 424 OG SER A 28 5.705 5.578 1.067 1.00 1.03 O ATOM 0 H SER A 28 6.628 2.431 1.209 1.00 0.11 H new ATOM 0 HA SER A 28 7.972 4.850 0.039 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.400 4.406 2.622 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.337 5.852 2.306 1.00 0.17 H new ATOM 0 HG SER A 28 5.038 5.965 1.672 1.00 1.03 H new ATOM 430 N ALA A 29 9.972 4.692 1.622 1.00 0.10 N ATOM 431 CA ALA A 29 11.228 4.386 2.363 1.00 0.15 C ATOM 432 C ALA A 29 11.147 5.037 3.751 1.00 0.18 C ATOM 433 O ALA A 29 10.851 6.208 3.884 1.00 0.26 O ATOM 434 CB ALA A 29 12.421 4.938 1.570 1.00 0.19 C ATOM 0 H ALA A 29 9.980 5.567 1.099 1.00 0.10 H new ATOM 0 HA ALA A 29 11.357 3.310 2.482 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.346 4.719 2.104 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.451 4.471 0.586 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.314 6.017 1.456 1.00 0.19 H new ATOM 440 N THR A 30 11.385 4.277 4.785 1.00 0.18 N ATOM 441 CA THR A 30 11.301 4.834 6.166 1.00 0.23 C ATOM 442 C THR A 30 12.403 5.872 6.398 1.00 0.26 C ATOM 443 O THR A 30 12.274 6.750 7.227 1.00 0.31 O ATOM 444 CB THR A 30 11.451 3.694 7.179 1.00 0.26 C ATOM 445 OG1 THR A 30 11.176 4.182 8.484 1.00 0.32 O ATOM 446 CG2 THR A 30 12.878 3.138 7.129 1.00 0.28 C ATOM 0 H THR A 30 11.635 3.290 4.733 1.00 0.18 H new ATOM 0 HA THR A 30 10.334 5.321 6.292 1.00 0.23 H new ATOM 0 HB THR A 30 10.748 2.898 6.932 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.270 3.453 9.132 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.978 2.328 7.851 1.00 0.28 H new ATOM 0 HG22 THR A 30 13.086 2.760 6.128 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.586 3.930 7.372 1.00 0.28 H new ATOM 454 N TRP A 31 13.493 5.772 5.687 1.00 0.26 N ATOM 455 CA TRP A 31 14.609 6.747 5.886 1.00 0.32 C ATOM 456 C TRP A 31 14.416 7.960 4.977 1.00 0.32 C ATOM 457 O TRP A 31 15.081 8.967 5.121 1.00 0.36 O ATOM 458 CB TRP A 31 15.929 6.068 5.530 1.00 0.34 C ATOM 459 CG TRP A 31 15.935 5.715 4.080 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.555 4.524 3.569 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.326 6.541 2.949 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.702 4.558 2.195 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.170 5.781 1.761 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.801 7.867 2.841 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.476 6.318 0.503 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.110 8.413 1.578 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.948 7.639 0.410 1.00 0.40 C ATOM 0 H TRP A 31 13.661 5.059 4.977 1.00 0.26 H new ATOM 0 HA TRP A 31 14.618 7.075 6.926 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.764 6.731 5.757 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.062 5.170 6.134 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.195 3.682 4.141 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.490 3.774 1.577 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.928 8.466 3.731 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.350 5.721 -0.388 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.472 9.428 1.505 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.186 8.061 -0.555 1.00 0.40 H new ATOM 478 N CYS A 32 13.525 7.867 4.031 1.00 0.28 N ATOM 479 CA CYS A 32 13.300 9.005 3.090 1.00 0.30 C ATOM 480 C CYS A 32 12.126 9.861 3.581 1.00 0.31 C ATOM 481 O CYS A 32 11.067 9.364 3.906 1.00 0.29 O ATOM 482 CB CYS A 32 13.008 8.429 1.699 1.00 0.28 C ATOM 483 SG CYS A 32 13.551 9.596 0.422 1.00 0.32 S ATOM 0 H CYS A 32 12.939 7.049 3.866 1.00 0.28 H new ATOM 0 HA CYS A 32 14.184 9.641 3.043 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.522 7.476 1.575 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.941 8.232 1.594 1.00 0.28 H new ATOM 488 N GLY A 33 12.328 11.147 3.646 1.00 0.34 N ATOM 489 CA GLY A 33 11.257 12.067 4.119 1.00 0.36 C ATOM 490 C GLY A 33 10.140 12.218 3.071 1.00 0.35 C ATOM 491 O GLY A 33 8.986 12.056 3.401 1.00 0.33 O ATOM 0 H GLY A 33 13.202 11.606 3.388 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.835 11.688 5.050 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.686 13.045 4.338 1.00 0.36 H new ATOM 495 N PRO A 34 10.494 12.552 1.846 1.00 0.37 N ATOM 496 CA PRO A 34 9.489 12.756 0.779 1.00 0.38 C ATOM 497 C PRO A 34 8.511 11.578 0.703 1.00 0.35 C ATOM 498 O PRO A 34 7.344 11.753 0.410 1.00 0.36 O ATOM 499 CB PRO A 34 10.318 12.900 -0.518 1.00 0.42 C ATOM 500 CG PRO A 34 11.792 13.135 -0.081 1.00 0.44 C ATOM 501 CD PRO A 34 11.893 12.752 1.413 1.00 0.40 C ATOM 0 HA PRO A 34 8.867 13.632 0.960 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.235 12.004 -1.132 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.955 13.733 -1.119 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.472 12.529 -0.680 1.00 0.44 H new ATOM 0 HG3 PRO A 34 12.076 14.176 -0.231 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.483 11.846 1.550 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.378 13.539 1.991 1.00 0.40 H new ATOM 509 N ALA A 35 8.967 10.387 0.961 1.00 0.33 N ATOM 510 CA ALA A 35 8.049 9.219 0.901 1.00 0.32 C ATOM 511 C ALA A 35 7.203 9.178 2.176 1.00 0.39 C ATOM 512 O ALA A 35 5.996 9.315 2.141 1.00 0.81 O ATOM 513 CB ALA A 35 8.872 7.936 0.782 1.00 0.36 C ATOM 0 H ALA A 35 9.932 10.172 1.210 1.00 0.33 H new ATOM 0 HA ALA A 35 7.393 9.306 0.035 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.202 7.077 0.738 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.475 7.973 -0.125 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.526 7.842 1.649 1.00 0.36 H new ATOM 519 N LYS A 36 7.832 9.000 3.303 1.00 0.30 N ATOM 520 CA LYS A 36 7.080 8.960 4.590 1.00 0.28 C ATOM 521 C LYS A 36 6.310 10.271 4.779 1.00 0.24 C ATOM 522 O LYS A 36 5.397 10.357 5.575 1.00 0.25 O ATOM 523 CB LYS A 36 8.079 8.782 5.738 1.00 0.35 C ATOM 524 CG LYS A 36 7.370 8.976 7.084 1.00 0.38 C ATOM 525 CD LYS A 36 8.241 8.417 8.214 1.00 0.49 C ATOM 526 CE LYS A 36 9.571 9.176 8.270 1.00 1.22 C ATOM 527 NZ LYS A 36 10.482 8.657 7.211 1.00 1.92 N ATOM 0 H LYS A 36 8.841 8.880 3.390 1.00 0.30 H new ATOM 0 HA LYS A 36 6.373 8.131 4.580 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.525 7.789 5.692 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.892 9.501 5.639 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.174 10.035 7.253 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.404 8.471 7.073 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.719 8.509 9.167 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.425 7.355 8.052 1.00 0.49 H new ATOM 0 HE2 LYS A 36 9.400 10.243 8.127 1.00 1.22 H new ATOM 0 HE3 LYS A 36 10.030 9.056 9.251 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 11.359 8.309 7.648 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.016 7.878 6.703 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 10.707 9.421 6.542 1.00 1.92 H new ATOM 541 N MET A 37 6.684 11.293 4.064 1.00 0.23 N ATOM 542 CA MET A 37 5.989 12.603 4.212 1.00 0.24 C ATOM 543 C MET A 37 4.500 12.442 3.885 1.00 0.20 C ATOM 544 O MET A 37 3.685 13.251 4.277 1.00 0.20 O ATOM 545 CB MET A 37 6.634 13.626 3.262 1.00 0.29 C ATOM 546 CG MET A 37 5.753 14.876 3.130 1.00 1.31 C ATOM 547 SD MET A 37 5.237 15.441 4.775 1.00 2.12 S ATOM 548 CE MET A 37 6.368 16.850 4.924 1.00 3.13 C ATOM 0 H MET A 37 7.442 11.279 3.382 1.00 0.23 H new ATOM 0 HA MET A 37 6.083 12.955 5.239 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.618 13.907 3.636 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.783 13.175 2.281 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.302 15.667 2.620 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.877 14.652 2.521 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.210 17.344 5.883 1.00 3.13 H new ATOM 0 HE2 MET A 37 7.398 16.498 4.863 1.00 3.13 H new ATOM 0 HE3 MET A 37 6.177 17.557 4.116 1.00 3.13 H new ATOM 558 N ILE A 38 4.139 11.416 3.155 1.00 0.18 N ATOM 559 CA ILE A 38 2.699 11.219 2.787 1.00 0.15 C ATOM 560 C ILE A 38 2.050 10.217 3.730 1.00 0.16 C ATOM 561 O ILE A 38 0.938 9.787 3.519 1.00 0.16 O ATOM 562 CB ILE A 38 2.602 10.708 1.346 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.463 11.610 0.446 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.134 10.737 0.873 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.521 11.057 -0.989 1.00 0.28 C ATOM 0 H ILE A 38 4.777 10.706 2.797 1.00 0.18 H new ATOM 0 HA ILE A 38 2.178 12.173 2.870 1.00 0.15 H new ATOM 0 HB ILE A 38 2.961 9.680 1.293 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.051 12.619 0.435 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.471 11.682 0.854 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.075 10.372 -0.152 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.531 10.100 1.520 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.758 11.759 0.917 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.136 11.712 -1.607 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.955 10.057 -0.976 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.513 11.010 -1.402 1.00 0.28 H new ATOM 577 N LYS A 39 2.722 9.838 4.779 1.00 0.19 N ATOM 578 CA LYS A 39 2.091 8.864 5.702 1.00 0.22 C ATOM 579 C LYS A 39 0.830 9.448 6.379 1.00 0.20 C ATOM 580 O LYS A 39 -0.061 8.696 6.669 1.00 0.21 O ATOM 581 CB LYS A 39 3.101 8.319 6.753 1.00 0.31 C ATOM 582 CG LYS A 39 3.330 9.293 7.932 1.00 0.34 C ATOM 583 CD LYS A 39 3.887 8.543 9.159 1.00 0.45 C ATOM 584 CE LYS A 39 2.855 7.544 9.722 1.00 1.16 C ATOM 585 NZ LYS A 39 3.150 6.186 9.183 1.00 1.62 N ATOM 0 H LYS A 39 3.659 10.153 5.032 1.00 0.19 H new ATOM 0 HA LYS A 39 1.771 8.017 5.095 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.736 7.368 7.140 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.054 8.119 6.263 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.025 10.077 7.632 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.392 9.782 8.194 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.797 8.011 8.880 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.161 9.260 9.933 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.896 7.534 10.811 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.846 7.848 9.444 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.292 5.791 8.748 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.902 6.252 8.468 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.462 5.566 9.957 1.00 1.62 H new ATOM 599 N PRO A 40 0.755 10.743 6.665 1.00 0.20 N ATOM 600 CA PRO A 40 -0.436 11.254 7.360 1.00 0.21 C ATOM 601 C PRO A 40 -1.681 11.042 6.504 1.00 0.17 C ATOM 602 O PRO A 40 -2.787 11.284 6.941 1.00 0.20 O ATOM 603 CB PRO A 40 -0.155 12.746 7.618 1.00 0.24 C ATOM 604 CG PRO A 40 1.284 13.041 7.110 1.00 0.25 C ATOM 605 CD PRO A 40 1.764 11.789 6.345 1.00 0.21 C ATOM 0 HA PRO A 40 -0.627 10.732 8.298 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.882 13.369 7.097 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.242 12.975 8.680 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.290 13.915 6.459 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.949 13.260 7.945 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.815 11.975 5.272 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.762 11.488 6.664 1.00 0.21 H new ATOM 613 N PHE A 41 -1.507 10.588 5.294 1.00 0.14 N ATOM 614 CA PHE A 41 -2.676 10.347 4.397 1.00 0.14 C ATOM 615 C PHE A 41 -2.876 8.841 4.231 1.00 0.11 C ATOM 616 O PHE A 41 -3.753 8.254 4.827 1.00 0.13 O ATOM 617 CB PHE A 41 -2.391 10.977 3.032 1.00 0.15 C ATOM 618 CG PHE A 41 -2.628 12.466 3.105 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.655 13.306 3.682 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.821 13.010 2.595 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.880 14.697 3.747 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.044 14.399 2.659 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.074 15.244 3.235 1.00 0.27 C ATOM 0 H PHE A 41 -0.599 10.371 4.883 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.575 10.789 4.826 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.362 10.776 2.735 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.035 10.532 2.273 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.740 12.886 4.073 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.565 12.363 2.155 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.137 15.344 4.190 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.959 14.817 2.266 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.245 16.309 3.284 1.00 0.27 H new ATOM 633 N PHE A 42 -2.066 8.219 3.422 1.00 0.10 N ATOM 634 CA PHE A 42 -2.194 6.751 3.191 1.00 0.11 C ATOM 635 C PHE A 42 -2.461 6.016 4.510 1.00 0.11 C ATOM 636 O PHE A 42 -3.440 5.310 4.647 1.00 0.12 O ATOM 637 CB PHE A 42 -0.895 6.242 2.573 1.00 0.13 C ATOM 638 CG PHE A 42 -0.972 4.749 2.402 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.669 4.209 1.309 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.336 3.895 3.327 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.735 2.817 1.140 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.404 2.499 3.158 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.103 1.959 2.062 1.00 0.10 C ATOM 0 H PHE A 42 -1.311 8.669 2.904 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.033 6.563 2.521 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.727 6.721 1.608 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.050 6.503 3.210 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.153 4.864 0.600 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.203 4.312 4.165 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.272 2.402 0.300 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.079 1.844 3.868 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.155 0.889 1.928 1.00 0.10 H new ATOM 653 N HIS A 43 -1.605 6.172 5.480 1.00 0.14 N ATOM 654 CA HIS A 43 -1.827 5.474 6.778 1.00 0.16 C ATOM 655 C HIS A 43 -3.095 6.026 7.451 1.00 0.16 C ATOM 656 O HIS A 43 -3.814 5.302 8.112 1.00 0.18 O ATOM 657 CB HIS A 43 -0.575 5.651 7.671 1.00 0.21 C ATOM 658 CG HIS A 43 -0.932 5.594 9.133 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.825 4.432 9.880 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.431 6.547 9.987 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.256 4.710 11.124 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.638 5.985 11.244 1.00 0.39 N ATOM 0 H HIS A 43 -0.765 6.749 5.432 1.00 0.14 H new ATOM 0 HA HIS A 43 -1.978 4.407 6.615 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.151 4.871 7.441 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.099 6.606 7.448 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.632 7.575 9.724 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.289 3.990 11.928 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.003 6.447 12.077 1.00 0.39 H new ATOM 670 N SER A 44 -3.385 7.287 7.283 1.00 0.20 N ATOM 671 CA SER A 44 -4.616 7.849 7.912 1.00 0.25 C ATOM 672 C SER A 44 -5.858 7.176 7.312 1.00 0.20 C ATOM 673 O SER A 44 -6.822 6.908 8.002 1.00 0.21 O ATOM 674 CB SER A 44 -4.683 9.357 7.665 1.00 0.34 C ATOM 675 OG SER A 44 -6.019 9.805 7.855 1.00 0.97 O ATOM 0 H SER A 44 -2.829 7.949 6.742 1.00 0.20 H new ATOM 0 HA SER A 44 -4.585 7.661 8.985 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.012 9.879 8.347 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.351 9.586 6.653 1.00 0.34 H new ATOM 0 HG SER A 44 -6.065 10.771 7.699 1.00 0.97 H new ATOM 681 N LEU A 45 -5.848 6.902 6.033 1.00 0.18 N ATOM 682 CA LEU A 45 -7.034 6.250 5.401 1.00 0.18 C ATOM 683 C LEU A 45 -7.420 5.002 6.199 1.00 0.16 C ATOM 684 O LEU A 45 -8.518 4.495 6.080 1.00 0.23 O ATOM 685 CB LEU A 45 -6.695 5.834 3.962 1.00 0.19 C ATOM 686 CG LEU A 45 -6.341 7.058 3.101 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.046 6.589 1.672 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.513 8.059 3.088 1.00 0.50 C ATOM 0 H LEU A 45 -5.073 7.101 5.401 1.00 0.18 H new ATOM 0 HA LEU A 45 -7.864 6.957 5.393 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -5.858 5.136 3.970 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.543 5.309 3.522 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.465 7.555 3.519 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.794 7.449 1.052 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.208 5.892 1.684 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -6.926 6.092 1.263 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.249 8.921 2.475 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.399 7.577 2.674 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.722 8.388 4.106 1.00 0.50 H new ATOM 700 N SER A 46 -6.530 4.501 7.008 1.00 0.20 N ATOM 701 CA SER A 46 -6.851 3.283 7.804 1.00 0.25 C ATOM 702 C SER A 46 -8.117 3.521 8.630 1.00 0.17 C ATOM 703 O SER A 46 -8.902 2.620 8.850 1.00 0.15 O ATOM 704 CB SER A 46 -5.687 2.965 8.743 1.00 0.36 C ATOM 705 OG SER A 46 -4.485 2.876 7.989 1.00 0.51 O ATOM 0 H SER A 46 -5.595 4.881 7.153 1.00 0.20 H new ATOM 0 HA SER A 46 -7.015 2.446 7.126 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.596 3.741 9.503 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.872 2.026 9.265 1.00 0.36 H new ATOM 0 HG SER A 46 -3.910 3.641 8.199 1.00 0.51 H new ATOM 711 N GLU A 47 -8.317 4.723 9.103 1.00 0.21 N ATOM 712 CA GLU A 47 -9.529 5.015 9.931 1.00 0.21 C ATOM 713 C GLU A 47 -10.651 5.562 9.049 1.00 0.18 C ATOM 714 O GLU A 47 -11.792 5.634 9.458 1.00 0.18 O ATOM 715 CB GLU A 47 -9.179 6.061 10.993 1.00 0.32 C ATOM 716 CG GLU A 47 -7.960 5.597 11.793 1.00 0.39 C ATOM 717 CD GLU A 47 -8.345 4.397 12.661 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.281 3.286 12.163 1.00 1.98 O ATOM 719 OE2 GLU A 47 -8.699 4.611 13.810 1.00 2.00 O ATOM 0 H GLU A 47 -7.694 5.517 8.953 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.861 4.092 10.407 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -8.971 7.020 10.518 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.027 6.214 11.660 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.150 5.325 11.116 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.592 6.410 12.420 1.00 0.39 H new ATOM 726 N LYS A 48 -10.341 5.958 7.844 1.00 0.18 N ATOM 727 CA LYS A 48 -11.398 6.509 6.944 1.00 0.17 C ATOM 728 C LYS A 48 -11.980 5.387 6.083 1.00 0.15 C ATOM 729 O LYS A 48 -13.105 5.465 5.631 1.00 0.18 O ATOM 730 CB LYS A 48 -10.779 7.578 6.042 1.00 0.21 C ATOM 731 CG LYS A 48 -11.892 8.405 5.393 1.00 0.26 C ATOM 732 CD LYS A 48 -11.302 9.308 4.303 1.00 1.09 C ATOM 733 CE LYS A 48 -10.286 10.281 4.914 1.00 1.51 C ATOM 734 NZ LYS A 48 -10.804 10.807 6.210 1.00 2.16 N ATOM 0 H LYS A 48 -9.404 5.924 7.443 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.195 6.949 7.543 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.123 8.225 6.624 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.164 7.109 5.274 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.644 7.744 4.962 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.394 9.011 6.147 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.819 8.699 3.538 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -12.099 9.865 3.811 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -9.334 9.775 5.071 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -10.099 11.105 4.226 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -10.331 11.706 6.434 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.829 10.965 6.136 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -10.614 10.118 6.965 1.00 2.16 H new ATOM 748 N TYR A 49 -11.224 4.343 5.854 1.00 0.13 N ATOM 749 CA TYR A 49 -11.726 3.205 5.019 1.00 0.13 C ATOM 750 C TYR A 49 -11.401 1.882 5.710 1.00 0.11 C ATOM 751 O TYR A 49 -10.586 1.111 5.245 1.00 0.11 O ATOM 752 CB TYR A 49 -11.052 3.245 3.643 1.00 0.15 C ATOM 753 CG TYR A 49 -11.709 4.311 2.802 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.012 4.109 2.310 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.026 5.511 2.519 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.633 5.103 1.533 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.647 6.507 1.744 1.00 0.20 C ATOM 758 CZ TYR A 49 -12.952 6.304 1.250 1.00 0.21 C ATOM 759 OH TYR A 49 -13.563 7.281 0.492 1.00 0.24 O ATOM 0 H TYR A 49 -10.275 4.228 6.211 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.806 3.293 4.897 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -9.988 3.455 3.752 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.138 2.275 3.154 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.535 3.190 2.529 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.026 5.666 2.897 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.632 4.946 1.153 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.124 7.427 1.527 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.111 7.353 -0.374 1.00 0.24 H new ATOM 769 N SER A 50 -12.043 1.606 6.809 1.00 0.12 N ATOM 770 CA SER A 50 -11.782 0.327 7.520 1.00 0.13 C ATOM 771 C SER A 50 -12.284 -0.832 6.654 1.00 0.13 C ATOM 772 O SER A 50 -12.127 -1.990 6.989 1.00 0.14 O ATOM 773 CB SER A 50 -12.520 0.328 8.857 1.00 0.16 C ATOM 774 OG SER A 50 -13.918 0.428 8.624 1.00 0.17 O ATOM 0 H SER A 50 -12.738 2.212 7.246 1.00 0.12 H new ATOM 0 HA SER A 50 -10.713 0.214 7.702 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.297 -0.585 9.409 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.182 1.163 9.471 1.00 0.16 H new ATOM 0 HG SER A 50 -14.393 0.427 9.481 1.00 0.17 H new ATOM 780 N ASN A 51 -12.888 -0.520 5.537 1.00 0.13 N ATOM 781 CA ASN A 51 -13.412 -1.580 4.627 1.00 0.15 C ATOM 782 C ASN A 51 -12.359 -1.884 3.560 1.00 0.13 C ATOM 783 O ASN A 51 -12.566 -2.696 2.683 1.00 0.14 O ATOM 784 CB ASN A 51 -14.694 -1.069 3.965 1.00 0.17 C ATOM 785 CG ASN A 51 -15.259 -2.125 3.012 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.752 -2.317 1.925 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.305 -2.819 3.372 1.00 0.32 N ATOM 0 H ASN A 51 -13.042 0.435 5.214 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.629 -2.490 5.187 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.433 -0.826 4.728 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.487 -0.149 3.418 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.694 -3.520 2.741 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.733 -2.660 4.284 1.00 0.32 H new ATOM 794 N VAL A 52 -11.227 -1.233 3.642 1.00 0.11 N ATOM 795 CA VAL A 52 -10.127 -1.463 2.651 1.00 0.10 C ATOM 796 C VAL A 52 -8.867 -1.900 3.404 1.00 0.10 C ATOM 797 O VAL A 52 -8.666 -1.546 4.547 1.00 0.11 O ATOM 798 CB VAL A 52 -9.838 -0.157 1.906 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.662 -0.360 0.938 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.090 0.278 1.127 1.00 0.12 C ATOM 0 H VAL A 52 -11.013 -0.543 4.362 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.423 -2.233 1.939 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.575 0.619 2.625 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.460 0.572 0.410 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.776 -0.658 1.499 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.914 -1.138 0.217 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.884 1.208 0.597 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.359 -0.497 0.409 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.916 0.432 1.822 1.00 0.12 H new ATOM 810 N ILE A 53 -8.018 -2.672 2.773 1.00 0.09 N ATOM 811 CA ILE A 53 -6.768 -3.143 3.449 1.00 0.09 C ATOM 812 C ILE A 53 -5.584 -2.289 2.970 1.00 0.09 C ATOM 813 O ILE A 53 -5.430 -2.034 1.793 1.00 0.14 O ATOM 814 CB ILE A 53 -6.520 -4.611 3.076 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.854 -5.399 3.081 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.495 -5.244 4.037 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.692 -5.139 4.354 1.00 0.17 C ATOM 0 H ILE A 53 -8.137 -2.998 1.814 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.872 -3.051 4.530 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.106 -4.654 2.069 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.438 -5.123 2.203 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.642 -6.465 3.001 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.330 -6.285 3.759 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.553 -4.699 3.975 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.875 -5.197 5.057 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.616 -5.716 4.306 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.122 -5.440 5.233 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.930 -4.078 4.422 1.00 0.17 H new ATOM 829 N PHE A 54 -4.751 -1.850 3.880 1.00 0.08 N ATOM 830 CA PHE A 54 -3.565 -1.012 3.508 1.00 0.08 C ATOM 831 C PHE A 54 -2.290 -1.731 3.939 1.00 0.08 C ATOM 832 O PHE A 54 -2.185 -2.212 5.049 1.00 0.11 O ATOM 833 CB PHE A 54 -3.652 0.329 4.234 1.00 0.08 C ATOM 834 CG PHE A 54 -4.883 1.062 3.763 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.929 1.582 2.456 1.00 0.09 C ATOM 836 CD2 PHE A 54 -5.989 1.219 4.623 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.078 2.262 2.008 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.138 1.897 4.173 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.183 2.419 2.866 1.00 0.09 C ATOM 0 H PHE A 54 -4.842 -2.038 4.878 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.552 -0.849 2.430 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.696 0.172 5.312 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.760 0.924 4.035 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.083 1.459 1.796 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.955 0.820 5.626 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.111 2.663 1.006 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -7.986 2.017 4.831 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.065 2.939 2.522 1.00 0.09 H new ATOM 849 N LEU A 55 -1.321 -1.813 3.065 1.00 0.08 N ATOM 850 CA LEU A 55 -0.036 -2.506 3.402 1.00 0.09 C ATOM 851 C LEU A 55 1.091 -1.471 3.437 1.00 0.09 C ATOM 852 O LEU A 55 0.911 -0.321 3.091 1.00 0.10 O ATOM 853 CB LEU A 55 0.278 -3.559 2.325 1.00 0.10 C ATOM 854 CG LEU A 55 -0.496 -4.862 2.582 1.00 0.11 C ATOM 855 CD1 LEU A 55 -1.992 -4.574 2.800 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.312 -5.788 1.372 1.00 0.12 C ATOM 0 H LEU A 55 -1.363 -1.426 2.122 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.125 -2.995 4.372 1.00 0.09 H new ATOM 0 HB2 LEU A 55 0.019 -3.166 1.342 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.348 -3.764 2.314 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.110 -5.339 3.483 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.520 -5.510 2.980 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.114 -3.917 3.661 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.402 -4.091 1.913 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.856 -6.718 1.539 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.697 -5.298 0.477 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.748 -6.006 1.239 1.00 0.12 H new ATOM 868 N GLU A 56 2.261 -1.886 3.840 1.00 0.09 N ATOM 869 CA GLU A 56 3.429 -0.958 3.893 1.00 0.09 C ATOM 870 C GLU A 56 4.670 -1.763 3.506 1.00 0.09 C ATOM 871 O GLU A 56 4.774 -2.932 3.821 1.00 0.10 O ATOM 872 CB GLU A 56 3.574 -0.394 5.314 1.00 0.09 C ATOM 873 CG GLU A 56 4.492 0.835 5.306 1.00 0.11 C ATOM 874 CD GLU A 56 4.355 1.584 6.636 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.228 0.926 7.655 1.00 1.24 O ATOM 876 OE2 GLU A 56 4.381 2.805 6.612 1.00 1.31 O ATOM 0 H GLU A 56 2.461 -2.841 4.139 1.00 0.09 H new ATOM 0 HA GLU A 56 3.296 -0.119 3.209 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.594 -0.122 5.707 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.982 -1.158 5.976 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.527 0.528 5.154 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.230 1.493 4.477 1.00 0.11 H new ATOM 883 N VAL A 57 5.594 -1.172 2.791 1.00 0.08 N ATOM 884 CA VAL A 57 6.805 -1.938 2.352 1.00 0.08 C ATOM 885 C VAL A 57 8.064 -1.066 2.446 1.00 0.09 C ATOM 886 O VAL A 57 8.075 0.082 2.039 1.00 0.14 O ATOM 887 CB VAL A 57 6.606 -2.375 0.893 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.876 -3.057 0.381 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.437 -3.358 0.798 1.00 0.09 C ATOM 0 H VAL A 57 5.565 -0.197 2.492 1.00 0.08 H new ATOM 0 HA VAL A 57 6.933 -2.804 3.001 1.00 0.08 H new ATOM 0 HB VAL A 57 6.391 -1.495 0.287 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.731 -3.366 -0.654 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.712 -2.360 0.438 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.091 -3.932 0.994 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.302 -3.663 -0.240 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.648 -4.235 1.410 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.527 -2.877 1.156 1.00 0.09 H new ATOM 899 N ASP A 58 9.137 -1.627 2.955 1.00 0.09 N ATOM 900 CA ASP A 58 10.428 -0.876 3.056 1.00 0.09 C ATOM 901 C ASP A 58 11.278 -1.254 1.838 1.00 0.10 C ATOM 902 O ASP A 58 11.962 -2.256 1.834 1.00 0.11 O ATOM 903 CB ASP A 58 11.158 -1.283 4.346 1.00 0.11 C ATOM 904 CG ASP A 58 12.252 -0.259 4.679 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.908 0.844 5.066 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.418 -0.603 4.558 1.00 1.06 O ATOM 0 H ASP A 58 9.172 -2.583 3.308 1.00 0.09 H new ATOM 0 HA ASP A 58 10.251 0.199 3.080 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.447 -1.348 5.170 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.599 -2.272 4.227 1.00 0.11 H new ATOM 911 N VAL A 59 11.210 -0.480 0.793 1.00 0.12 N ATOM 912 CA VAL A 59 11.978 -0.807 -0.444 1.00 0.15 C ATOM 913 C VAL A 59 13.458 -1.052 -0.132 1.00 0.18 C ATOM 914 O VAL A 59 14.205 -1.491 -0.982 1.00 0.27 O ATOM 915 CB VAL A 59 11.858 0.362 -1.425 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.440 0.403 -1.999 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.149 1.676 -0.694 1.00 0.22 C ATOM 0 H VAL A 59 10.652 0.372 0.740 1.00 0.12 H new ATOM 0 HA VAL A 59 11.565 -1.718 -0.878 1.00 0.15 H new ATOM 0 HB VAL A 59 12.575 0.230 -2.235 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.354 1.235 -2.698 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.231 -0.531 -2.520 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.723 0.534 -1.189 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.063 2.508 -1.393 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.432 1.808 0.117 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.159 1.649 -0.284 1.00 0.22 H new ATOM 927 N ASP A 60 13.897 -0.765 1.066 1.00 0.16 N ATOM 928 CA ASP A 60 15.341 -0.964 1.413 1.00 0.18 C ATOM 929 C ASP A 60 15.538 -2.249 2.222 1.00 0.17 C ATOM 930 O ASP A 60 16.443 -3.017 1.967 1.00 0.18 O ATOM 931 CB ASP A 60 15.812 0.226 2.245 1.00 0.21 C ATOM 932 CG ASP A 60 15.953 1.459 1.349 1.00 0.24 C ATOM 933 OD1 ASP A 60 14.960 2.140 1.151 1.00 1.08 O ATOM 934 OD2 ASP A 60 17.053 1.706 0.882 1.00 1.11 O ATOM 0 H ASP A 60 13.318 -0.400 1.823 1.00 0.16 H new ATOM 0 HA ASP A 60 15.917 -1.044 0.491 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.100 0.426 3.046 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.767 -0.003 2.717 1.00 0.21 H new ATOM 939 N ASP A 61 14.712 -2.486 3.204 1.00 0.17 N ATOM 940 CA ASP A 61 14.864 -3.719 4.036 1.00 0.17 C ATOM 941 C ASP A 61 13.991 -4.829 3.443 1.00 0.16 C ATOM 942 O ASP A 61 14.083 -5.978 3.830 1.00 0.18 O ATOM 943 CB ASP A 61 14.445 -3.398 5.482 1.00 0.19 C ATOM 944 CG ASP A 61 14.093 -4.685 6.243 1.00 0.22 C ATOM 945 OD1 ASP A 61 13.012 -5.205 6.017 1.00 1.07 O ATOM 946 OD2 ASP A 61 14.910 -5.124 7.034 1.00 1.12 O ATOM 0 H ASP A 61 13.936 -1.879 3.469 1.00 0.17 H new ATOM 0 HA ASP A 61 15.900 -4.058 4.041 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.254 -2.877 5.993 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.587 -2.726 5.477 1.00 0.19 H new ATOM 951 N ALA A 62 13.157 -4.491 2.495 1.00 0.16 N ATOM 952 CA ALA A 62 12.273 -5.507 1.842 1.00 0.16 C ATOM 953 C ALA A 62 12.488 -5.441 0.328 1.00 0.16 C ATOM 954 O ALA A 62 11.560 -5.541 -0.448 1.00 0.15 O ATOM 955 CB ALA A 62 10.810 -5.189 2.164 1.00 0.17 C ATOM 0 H ALA A 62 13.048 -3.541 2.139 1.00 0.16 H new ATOM 0 HA ALA A 62 12.514 -6.505 2.210 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.164 -5.928 1.689 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.661 -5.217 3.243 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.562 -4.196 1.789 1.00 0.17 H new ATOM 961 N GLN A 63 13.713 -5.264 -0.093 1.00 0.20 N ATOM 962 CA GLN A 63 13.999 -5.179 -1.552 1.00 0.22 C ATOM 963 C GLN A 63 13.465 -6.425 -2.261 1.00 0.20 C ATOM 964 O GLN A 63 13.396 -6.474 -3.474 1.00 0.20 O ATOM 965 CB GLN A 63 15.508 -5.061 -1.777 1.00 0.29 C ATOM 966 CG GLN A 63 16.241 -6.138 -0.973 1.00 0.90 C ATOM 967 CD GLN A 63 17.747 -6.009 -1.213 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.170 -5.411 -2.183 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.582 -6.546 -0.366 1.00 2.22 N ATOM 0 H GLN A 63 14.528 -5.175 0.514 1.00 0.20 H new ATOM 0 HA GLN A 63 13.505 -4.298 -1.962 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.736 -5.169 -2.837 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.853 -4.072 -1.476 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.019 -6.030 0.089 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.897 -7.128 -1.271 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.230 -7.048 0.449 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.587 -6.463 -0.519 1.00 2.22 H new ATOM 978 N ASP A 64 13.078 -7.430 -1.525 1.00 0.19 N ATOM 979 CA ASP A 64 12.544 -8.657 -2.176 1.00 0.20 C ATOM 980 C ASP A 64 11.180 -8.330 -2.784 1.00 0.17 C ATOM 981 O ASP A 64 10.865 -8.741 -3.883 1.00 0.19 O ATOM 982 CB ASP A 64 12.401 -9.772 -1.135 1.00 0.22 C ATOM 983 CG ASP A 64 11.869 -9.186 0.174 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.641 -8.552 0.874 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.699 -9.382 0.455 1.00 1.09 O ATOM 0 H ASP A 64 13.108 -7.454 -0.506 1.00 0.19 H new ATOM 0 HA ASP A 64 13.225 -8.995 -2.957 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.723 -10.542 -1.503 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.365 -10.251 -0.965 1.00 0.22 H new ATOM 990 N VAL A 65 10.377 -7.578 -2.084 1.00 0.15 N ATOM 991 CA VAL A 65 9.044 -7.209 -2.630 1.00 0.16 C ATOM 992 C VAL A 65 9.245 -6.157 -3.720 1.00 0.16 C ATOM 993 O VAL A 65 8.667 -6.230 -4.788 1.00 0.19 O ATOM 994 CB VAL A 65 8.174 -6.635 -1.510 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.720 -6.560 -1.980 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.269 -7.544 -0.278 1.00 0.18 C ATOM 0 H VAL A 65 10.587 -7.204 -1.159 1.00 0.15 H new ATOM 0 HA VAL A 65 8.549 -8.087 -3.046 1.00 0.16 H new ATOM 0 HB VAL A 65 8.522 -5.635 -1.253 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.100 -6.151 -1.182 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.654 -5.916 -2.857 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.368 -7.559 -2.236 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.650 -7.138 0.522 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.919 -8.544 -0.536 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.305 -7.597 0.056 1.00 0.18 H new ATOM 1006 N ALA A 66 10.075 -5.184 -3.461 1.00 0.16 N ATOM 1007 CA ALA A 66 10.335 -4.131 -4.481 1.00 0.18 C ATOM 1008 C ALA A 66 10.990 -4.774 -5.705 1.00 0.19 C ATOM 1009 O ALA A 66 10.766 -4.367 -6.829 1.00 0.20 O ATOM 1010 CB ALA A 66 11.275 -3.076 -3.891 1.00 0.22 C ATOM 0 H ALA A 66 10.585 -5.073 -2.585 1.00 0.16 H new ATOM 0 HA ALA A 66 9.398 -3.657 -4.773 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.468 -2.303 -4.635 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.812 -2.626 -3.013 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.216 -3.546 -3.604 1.00 0.22 H new ATOM 1016 N SER A 67 11.797 -5.779 -5.494 1.00 0.21 N ATOM 1017 CA SER A 67 12.467 -6.454 -6.639 1.00 0.26 C ATOM 1018 C SER A 67 11.411 -7.119 -7.526 1.00 0.26 C ATOM 1019 O SER A 67 11.372 -6.914 -8.722 1.00 0.29 O ATOM 1020 CB SER A 67 13.433 -7.516 -6.110 1.00 0.31 C ATOM 1021 OG SER A 67 14.580 -6.878 -5.563 1.00 1.29 O ATOM 0 H SER A 67 12.021 -6.161 -4.575 1.00 0.21 H new ATOM 0 HA SER A 67 13.021 -5.719 -7.223 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.943 -8.123 -5.349 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.727 -8.190 -6.915 1.00 0.31 H new ATOM 0 HG SER A 67 14.418 -6.667 -4.620 1.00 1.29 H new ATOM 1027 N GLU A 68 10.558 -7.916 -6.945 1.00 0.26 N ATOM 1028 CA GLU A 68 9.504 -8.600 -7.747 1.00 0.30 C ATOM 1029 C GLU A 68 8.565 -7.558 -8.363 1.00 0.31 C ATOM 1030 O GLU A 68 8.027 -7.752 -9.435 1.00 0.36 O ATOM 1031 CB GLU A 68 8.701 -9.533 -6.833 1.00 0.31 C ATOM 1032 CG GLU A 68 7.768 -10.416 -7.670 1.00 0.39 C ATOM 1033 CD GLU A 68 8.567 -11.554 -8.310 1.00 1.43 C ATOM 1034 OE1 GLU A 68 8.825 -12.529 -7.624 1.00 2.19 O ATOM 1035 OE2 GLU A 68 8.906 -11.431 -9.476 1.00 2.20 O ATOM 0 H GLU A 68 10.545 -8.124 -5.947 1.00 0.26 H new ATOM 0 HA GLU A 68 9.972 -9.178 -8.544 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.379 -10.157 -6.251 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.119 -8.946 -6.123 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.977 -10.824 -7.041 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.284 -9.819 -8.443 1.00 0.39 H new ATOM 1042 N ALA A 69 8.355 -6.457 -7.690 1.00 0.29 N ATOM 1043 CA ALA A 69 7.440 -5.407 -8.234 1.00 0.31 C ATOM 1044 C ALA A 69 8.225 -4.446 -9.133 1.00 0.29 C ATOM 1045 O ALA A 69 7.678 -3.506 -9.675 1.00 0.33 O ATOM 1046 CB ALA A 69 6.816 -4.631 -7.069 1.00 0.31 C ATOM 0 H ALA A 69 8.777 -6.238 -6.787 1.00 0.29 H new ATOM 0 HA ALA A 69 6.654 -5.880 -8.823 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.148 -3.864 -7.460 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.252 -5.316 -6.436 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.604 -4.161 -6.481 1.00 0.31 H new ATOM 1052 N GLU A 70 9.499 -4.672 -9.299 1.00 0.27 N ATOM 1053 CA GLU A 70 10.315 -3.772 -10.166 1.00 0.29 C ATOM 1054 C GLU A 70 10.019 -2.308 -9.824 1.00 0.25 C ATOM 1055 O GLU A 70 9.728 -1.505 -10.688 1.00 0.26 O ATOM 1056 CB GLU A 70 9.967 -4.029 -11.635 1.00 0.38 C ATOM 1057 CG GLU A 70 10.449 -5.423 -12.041 1.00 1.18 C ATOM 1058 CD GLU A 70 9.565 -6.482 -11.380 1.00 1.61 C ATOM 1059 OE1 GLU A 70 8.363 -6.433 -11.585 1.00 2.06 O ATOM 1060 OE2 GLU A 70 10.104 -7.323 -10.680 1.00 2.34 O ATOM 0 H GLU A 70 10.012 -5.443 -8.871 1.00 0.27 H new ATOM 0 HA GLU A 70 11.373 -3.974 -9.996 1.00 0.29 H new ATOM 0 HB2 GLU A 70 8.890 -3.948 -11.784 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.434 -3.274 -12.267 1.00 0.38 H new ATOM 0 HG2 GLU A 70 10.414 -5.530 -13.125 1.00 1.18 H new ATOM 0 HG3 GLU A 70 11.488 -5.562 -11.741 1.00 1.18 H new ATOM 1067 N VAL A 71 10.100 -1.952 -8.570 1.00 0.22 N ATOM 1068 CA VAL A 71 9.832 -0.539 -8.175 1.00 0.19 C ATOM 1069 C VAL A 71 11.072 0.310 -8.467 1.00 0.23 C ATOM 1070 O VAL A 71 12.177 -0.059 -8.122 1.00 0.28 O ATOM 1071 CB VAL A 71 9.513 -0.477 -6.682 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.053 0.933 -6.328 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.395 -1.470 -6.356 1.00 0.19 C ATOM 0 H VAL A 71 10.340 -2.579 -7.802 1.00 0.22 H new ATOM 0 HA VAL A 71 8.983 -0.156 -8.742 1.00 0.19 H new ATOM 0 HB VAL A 71 10.403 -0.731 -6.107 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.824 0.984 -5.264 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.845 1.644 -6.563 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.161 1.180 -6.904 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.168 -1.425 -5.291 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.503 -1.215 -6.928 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.717 -2.478 -6.616 1.00 0.19 H new ATOM 1083 N LYS A 72 10.896 1.445 -9.103 1.00 0.24 N ATOM 1084 CA LYS A 72 12.063 2.332 -9.429 1.00 0.29 C ATOM 1085 C LYS A 72 11.767 3.768 -8.989 1.00 0.26 C ATOM 1086 O LYS A 72 12.573 4.658 -9.174 1.00 0.27 O ATOM 1087 CB LYS A 72 12.308 2.312 -10.936 1.00 0.35 C ATOM 1088 CG LYS A 72 12.719 0.903 -11.367 1.00 0.43 C ATOM 1089 CD LYS A 72 12.859 0.855 -12.892 1.00 1.16 C ATOM 1090 CE LYS A 72 13.564 -0.441 -13.300 1.00 1.66 C ATOM 1091 NZ LYS A 72 13.329 -0.698 -14.749 1.00 2.40 N ATOM 0 H LYS A 72 9.990 1.798 -9.412 1.00 0.24 H new ATOM 0 HA LYS A 72 12.946 1.968 -8.903 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.406 2.617 -11.466 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.089 3.026 -11.198 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.663 0.628 -10.896 1.00 0.43 H new ATOM 0 HG3 LYS A 72 11.975 0.179 -11.037 1.00 0.43 H new ATOM 0 HD2 LYS A 72 11.876 0.909 -13.360 1.00 1.16 H new ATOM 0 HD3 LYS A 72 13.427 1.716 -13.243 1.00 1.16 H new ATOM 0 HE2 LYS A 72 14.633 -0.364 -13.102 1.00 1.66 H new ATOM 0 HE3 LYS A 72 13.189 -1.274 -12.706 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 13.808 -1.578 -15.028 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 12.308 -0.789 -14.924 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 13.707 0.093 -15.308 1.00 2.40 H new ATOM 1105 N ALA A 73 10.623 4.001 -8.402 1.00 0.22 N ATOM 1106 CA ALA A 73 10.277 5.384 -7.940 1.00 0.20 C ATOM 1107 C ALA A 73 9.338 5.278 -6.733 1.00 0.18 C ATOM 1108 O ALA A 73 8.339 4.601 -6.795 1.00 0.16 O ATOM 1109 CB ALA A 73 9.586 6.150 -9.092 1.00 0.21 C ATOM 0 H ALA A 73 9.910 3.294 -8.221 1.00 0.22 H new ATOM 0 HA ALA A 73 11.178 5.924 -7.651 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.333 7.157 -8.759 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.261 6.209 -9.946 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.676 5.625 -9.384 1.00 0.21 H new ATOM 1115 N THR A 74 9.646 5.952 -5.645 1.00 0.18 N ATOM 1116 CA THR A 74 8.757 5.896 -4.432 1.00 0.17 C ATOM 1117 C THR A 74 8.165 7.305 -4.199 1.00 0.17 C ATOM 1118 O THR A 74 8.811 8.279 -4.525 1.00 0.19 O ATOM 1119 CB THR A 74 9.596 5.498 -3.193 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.831 6.192 -3.229 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.888 3.981 -3.158 1.00 0.19 C ATOM 0 H THR A 74 10.474 6.539 -5.544 1.00 0.18 H new ATOM 0 HA THR A 74 7.964 5.164 -4.585 1.00 0.17 H new ATOM 0 HB THR A 74 9.022 5.758 -2.304 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.367 5.946 -2.446 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.479 3.745 -2.273 1.00 0.19 H new ATOM 0 HG22 THR A 74 8.948 3.430 -3.125 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.444 3.697 -4.052 1.00 0.19 H new ATOM 1129 N PRO A 75 6.976 7.396 -3.624 1.00 0.17 N ATOM 1130 CA PRO A 75 6.149 6.240 -3.210 1.00 0.16 C ATOM 1131 C PRO A 75 5.461 5.606 -4.426 1.00 0.14 C ATOM 1132 O PRO A 75 5.043 6.290 -5.339 1.00 0.14 O ATOM 1133 CB PRO A 75 5.097 6.847 -2.252 1.00 0.17 C ATOM 1134 CG PRO A 75 5.180 8.396 -2.397 1.00 0.20 C ATOM 1135 CD PRO A 75 6.384 8.711 -3.314 1.00 0.19 C ATOM 0 HA PRO A 75 6.739 5.453 -2.741 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.098 6.490 -2.502 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.295 6.546 -1.223 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.258 8.791 -2.824 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.307 8.866 -1.422 1.00 0.20 H new ATOM 0 HD2 PRO A 75 6.066 9.226 -4.221 1.00 0.19 H new ATOM 0 HD3 PRO A 75 7.103 9.360 -2.814 1.00 0.19 H new ATOM 1143 N THR A 76 5.321 4.302 -4.425 1.00 0.13 N ATOM 1144 CA THR A 76 4.632 3.602 -5.557 1.00 0.12 C ATOM 1145 C THR A 76 3.372 2.957 -5.013 1.00 0.12 C ATOM 1146 O THR A 76 3.430 2.056 -4.201 1.00 0.18 O ATOM 1147 CB THR A 76 5.533 2.500 -6.143 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.868 2.959 -6.174 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.079 2.155 -7.565 1.00 0.13 C ATOM 0 H THR A 76 5.657 3.688 -3.683 1.00 0.13 H new ATOM 0 HA THR A 76 4.403 4.323 -6.342 1.00 0.12 H new ATOM 0 HB THR A 76 5.463 1.608 -5.520 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.894 3.865 -6.547 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.721 1.375 -7.973 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.048 1.801 -7.542 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.144 3.043 -8.193 1.00 0.13 H new ATOM 1157 N PHE A 77 2.230 3.396 -5.450 1.00 0.09 N ATOM 1158 CA PHE A 77 0.976 2.780 -4.946 1.00 0.09 C ATOM 1159 C PHE A 77 0.618 1.615 -5.848 1.00 0.09 C ATOM 1160 O PHE A 77 0.421 1.767 -7.036 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.156 3.798 -4.950 1.00 0.10 C ATOM 1162 CG PHE A 77 0.111 4.817 -3.878 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.140 4.491 -2.534 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.613 6.089 -4.218 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.110 5.439 -1.524 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.862 7.040 -3.208 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.610 6.716 -1.862 1.00 0.12 C ATOM 0 H PHE A 77 2.110 4.148 -6.128 1.00 0.09 H new ATOM 0 HA PHE A 77 1.124 2.436 -3.922 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.225 4.283 -5.924 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.111 3.303 -4.772 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.524 3.515 -2.277 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.807 6.335 -5.252 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.081 5.190 -0.491 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.246 8.016 -3.467 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.799 7.444 -1.087 1.00 0.12 H new ATOM 1177 N GLN A 78 0.547 0.449 -5.280 1.00 0.07 N ATOM 1178 CA GLN A 78 0.212 -0.768 -6.065 1.00 0.07 C ATOM 1179 C GLN A 78 -1.085 -1.338 -5.511 1.00 0.06 C ATOM 1180 O GLN A 78 -1.286 -1.404 -4.315 1.00 0.07 O ATOM 1181 CB GLN A 78 1.348 -1.776 -5.901 1.00 0.08 C ATOM 1182 CG GLN A 78 2.687 -1.067 -6.105 1.00 0.12 C ATOM 1183 CD GLN A 78 3.799 -2.106 -6.253 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.544 -3.237 -6.621 1.00 0.81 O ATOM 1185 NE2 GLN A 78 5.029 -1.770 -5.980 1.00 1.03 N ATOM 0 H GLN A 78 0.710 0.284 -4.287 1.00 0.07 H new ATOM 0 HA GLN A 78 0.089 -0.539 -7.124 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.309 -2.226 -4.909 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.238 -2.585 -6.623 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.644 -0.436 -6.993 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.897 -0.413 -5.259 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.242 -0.821 -5.671 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.778 -2.456 -6.075 1.00 1.03 H new ATOM 1194 N PHE A 79 -1.985 -1.712 -6.376 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.307 -2.242 -5.922 1.00 0.07 C ATOM 1196 C PHE A 79 -3.393 -3.734 -6.214 1.00 0.07 C ATOM 1197 O PHE A 79 -3.195 -4.176 -7.327 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.415 -1.505 -6.679 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.394 -0.048 -6.279 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.326 0.770 -6.683 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.425 0.487 -5.487 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.282 2.123 -6.303 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.383 1.839 -5.097 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.313 2.657 -5.505 1.00 0.11 C ATOM 0 H PHE A 79 -1.863 -1.674 -7.388 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.420 -2.086 -4.849 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.267 -1.603 -7.754 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.385 -1.945 -6.450 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.533 0.357 -7.289 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.249 -0.139 -5.178 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.462 2.750 -6.621 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.172 2.249 -4.484 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.282 3.694 -5.206 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.699 -4.514 -5.207 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.819 -5.990 -5.387 1.00 0.08 C ATOM 1216 C PHE A 80 -5.203 -6.418 -4.917 1.00 0.11 C ATOM 1217 O PHE A 80 -5.840 -5.746 -4.128 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.760 -6.705 -4.543 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.403 -6.550 -5.185 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.964 -7.475 -6.154 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.572 -5.481 -4.809 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.309 -7.324 -6.744 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.697 -5.331 -5.396 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.138 -6.251 -6.362 1.00 0.14 C ATOM 0 H PHE A 80 -3.872 -4.185 -4.257 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.673 -6.248 -6.436 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.745 -6.291 -3.535 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.009 -7.762 -4.449 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.601 -8.298 -6.444 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.909 -4.772 -4.067 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.647 -8.030 -7.488 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.333 -4.508 -5.104 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.113 -6.136 -6.812 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.676 -7.526 -5.399 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.019 -8.005 -4.990 1.00 0.14 C ATOM 1236 C LYS A 81 -7.049 -9.517 -5.191 1.00 0.14 C ATOM 1237 O LYS A 81 -6.793 -10.004 -6.271 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.083 -7.319 -5.861 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.450 -7.345 -5.162 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.402 -6.371 -5.866 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.681 -6.207 -5.041 1.00 0.72 C ATOM 1242 NZ LYS A 81 -11.339 -5.775 -3.656 1.00 1.48 N ATOM 0 H LYS A 81 -5.187 -8.125 -6.064 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.226 -7.768 -3.947 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.789 -6.288 -6.060 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.152 -7.822 -6.825 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.863 -8.354 -5.184 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.340 -7.069 -4.113 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -9.916 -5.404 -5.996 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.646 -6.742 -6.861 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -12.335 -5.471 -5.510 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.229 -7.149 -5.013 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -11.608 -6.521 -2.983 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -10.316 -5.601 -3.589 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -11.854 -4.901 -3.428 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.334 -10.256 -4.156 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.361 -11.739 -4.282 1.00 0.20 C ATOM 1258 C LYS A 82 -6.018 -12.240 -4.823 1.00 0.20 C ATOM 1259 O LYS A 82 -5.947 -13.251 -5.493 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.479 -12.160 -5.239 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.845 -11.961 -4.571 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.914 -12.752 -5.327 1.00 0.36 C ATOM 1263 CE LYS A 82 -10.905 -12.361 -6.805 1.00 1.19 C ATOM 1264 NZ LYS A 82 -12.131 -12.897 -7.464 1.00 1.67 N ATOM 0 H LYS A 82 -7.550 -9.896 -3.226 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.542 -12.173 -3.299 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.424 -11.573 -6.156 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.352 -13.205 -5.522 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.803 -12.290 -3.533 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.103 -10.902 -4.560 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.728 -13.821 -5.224 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -11.896 -12.556 -4.896 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -10.869 -11.276 -6.906 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.014 -12.756 -7.292 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -12.128 -12.633 -8.470 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -12.146 -13.933 -7.378 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -12.975 -12.499 -7.004 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.950 -11.551 -4.527 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.614 -12.001 -5.016 1.00 0.21 C ATOM 1280 C GLY A 83 -3.412 -11.577 -6.472 1.00 0.19 C ATOM 1281 O GLY A 83 -2.427 -11.929 -7.090 1.00 0.22 O ATOM 0 H GLY A 83 -4.944 -10.697 -3.969 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.828 -11.574 -4.393 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.534 -13.085 -4.931 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.337 -10.831 -7.027 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.200 -10.382 -8.458 1.00 0.17 C ATOM 1287 C GLN A 84 -4.003 -8.866 -8.519 1.00 0.16 C ATOM 1288 O GLN A 84 -4.539 -8.125 -7.723 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.471 -10.744 -9.222 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.732 -12.245 -9.091 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.028 -12.604 -9.819 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.090 -13.595 -10.518 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.075 -11.837 -9.680 1.00 2.08 N ATOM 0 H GLN A 84 -5.183 -10.511 -6.555 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.337 -10.877 -8.903 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.318 -10.181 -8.829 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.367 -10.472 -10.272 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.899 -12.808 -9.512 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.805 -12.522 -8.039 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.023 -11.005 -9.093 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.945 -12.070 -10.158 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.237 -8.399 -9.473 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.003 -6.929 -9.602 1.00 0.17 C ATOM 1304 C LYS A 85 -4.122 -6.308 -10.438 1.00 0.16 C ATOM 1305 O LYS A 85 -4.636 -6.922 -11.351 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.659 -6.681 -10.286 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.413 -5.172 -10.395 1.00 0.25 C ATOM 1308 CD LYS A 85 0.069 -4.907 -10.679 1.00 0.30 C ATOM 1309 CE LYS A 85 0.468 -5.558 -12.006 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.712 -4.917 -12.516 1.00 1.70 N ATOM 0 H LYS A 85 -2.763 -8.974 -10.169 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.993 -6.476 -8.611 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.857 -7.151 -9.717 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.654 -7.134 -11.277 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.026 -4.751 -11.192 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.709 -4.678 -9.470 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.254 -3.834 -10.720 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.681 -5.306 -9.870 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.628 -6.627 -11.866 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.336 -5.448 -12.734 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 1.694 -4.903 -13.556 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.772 -3.943 -12.158 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.539 -5.457 -12.191 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.509 -5.095 -10.123 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.611 -4.418 -10.884 1.00 0.16 C ATOM 1326 C VAL A 86 -5.149 -3.038 -11.364 1.00 0.18 C ATOM 1327 O VAL A 86 -5.750 -2.450 -12.240 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.833 -4.263 -9.975 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.493 -5.628 -9.777 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.404 -3.707 -8.612 1.00 0.17 C ATOM 0 H VAL A 86 -4.107 -4.540 -9.367 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.873 -5.024 -11.751 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.539 -3.574 -10.439 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.364 -5.521 -9.130 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.805 -6.025 -10.743 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.781 -6.313 -9.317 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.279 -3.600 -7.971 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.695 -4.392 -8.147 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.932 -2.734 -8.748 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.090 -2.510 -10.808 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.619 -1.166 -11.260 1.00 0.18 C ATOM 1342 C GLY A 87 -2.475 -0.674 -10.373 1.00 0.10 C ATOM 1343 O GLY A 87 -2.068 -1.334 -9.438 1.00 0.08 O ATOM 0 H GLY A 87 -3.536 -2.944 -10.070 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.286 -1.220 -12.296 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.444 -0.455 -11.227 1.00 0.18 H new ATOM 1347 N GLU A 88 -1.955 0.489 -10.666 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.839 1.036 -9.848 1.00 0.10 C ATOM 1349 C GLU A 88 -0.509 2.457 -10.304 1.00 0.10 C ATOM 1350 O GLU A 88 -0.772 2.837 -11.429 1.00 0.11 O ATOM 1351 CB GLU A 88 0.397 0.151 -10.012 1.00 0.17 C ATOM 1352 CG GLU A 88 0.584 -0.195 -11.490 1.00 0.25 C ATOM 1353 CD GLU A 88 1.971 -0.805 -11.698 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.102 -2.002 -11.505 1.00 2.04 O ATOM 1355 OE2 GLU A 88 2.875 -0.066 -12.047 1.00 1.94 O ATOM 0 H GLU A 88 -2.257 1.083 -11.438 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.140 1.054 -8.800 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.280 0.667 -9.634 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.285 -0.761 -9.425 1.00 0.17 H new ATOM 0 HG2 GLU A 88 -0.186 -0.897 -11.811 1.00 0.25 H new ATOM 0 HG3 GLU A 88 0.473 0.701 -12.101 1.00 0.25 H new ATOM 1362 N PHE A 89 0.083 3.238 -9.442 1.00 0.09 N ATOM 1363 CA PHE A 89 0.451 4.629 -9.828 1.00 0.09 C ATOM 1364 C PHE A 89 1.369 5.238 -8.763 1.00 0.09 C ATOM 1365 O PHE A 89 1.100 5.175 -7.584 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.816 5.488 -10.027 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.396 5.961 -8.704 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.751 6.974 -7.959 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.601 5.402 -8.227 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.306 7.419 -6.747 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.155 5.852 -7.012 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.507 6.861 -6.274 1.00 0.11 C ATOM 0 H PHE A 89 0.327 2.973 -8.488 1.00 0.09 H new ATOM 0 HA PHE A 89 0.989 4.606 -10.776 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.575 6.352 -10.647 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.566 4.909 -10.565 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.170 7.407 -8.322 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.099 4.629 -8.794 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.809 8.191 -6.178 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.076 5.423 -6.647 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.933 7.207 -5.344 1.00 0.11 H new ATOM 1382 N SER A 90 2.458 5.834 -9.180 1.00 0.13 N ATOM 1383 CA SER A 90 3.411 6.462 -8.208 1.00 0.14 C ATOM 1384 C SER A 90 3.238 7.982 -8.255 1.00 0.14 C ATOM 1385 O SER A 90 2.284 8.490 -8.811 1.00 0.17 O ATOM 1386 CB SER A 90 4.845 6.102 -8.602 1.00 0.15 C ATOM 1387 OG SER A 90 5.279 6.962 -9.648 1.00 0.16 O ATOM 0 H SER A 90 2.731 5.914 -10.159 1.00 0.13 H new ATOM 0 HA SER A 90 3.208 6.098 -7.201 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.505 6.198 -7.740 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.894 5.063 -8.927 1.00 0.15 H new ATOM 0 HG SER A 90 6.173 7.305 -9.440 1.00 0.16 H new ATOM 1393 N GLY A 91 4.150 8.712 -7.677 1.00 0.12 N ATOM 1394 CA GLY A 91 4.035 10.204 -7.687 1.00 0.13 C ATOM 1395 C GLY A 91 3.210 10.654 -6.482 1.00 0.13 C ATOM 1396 O GLY A 91 2.145 10.134 -6.219 1.00 0.13 O ATOM 0 H GLY A 91 4.971 8.344 -7.197 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.026 10.657 -7.654 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.563 10.538 -8.611 1.00 0.13 H new ATOM 1400 N ALA A 92 3.699 11.606 -5.737 1.00 0.15 N ATOM 1401 CA ALA A 92 2.941 12.070 -4.539 1.00 0.17 C ATOM 1402 C ALA A 92 1.545 12.567 -4.939 1.00 0.15 C ATOM 1403 O ALA A 92 1.363 13.716 -5.292 1.00 0.16 O ATOM 1404 CB ALA A 92 3.714 13.208 -3.849 1.00 0.20 C ATOM 0 H ALA A 92 4.586 12.081 -5.904 1.00 0.15 H new ATOM 0 HA ALA A 92 2.828 11.231 -3.852 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.159 13.546 -2.974 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.695 12.846 -3.540 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.836 14.038 -4.544 1.00 0.20 H new ATOM 1410 N ASN A 93 0.555 11.717 -4.853 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.841 12.138 -5.191 1.00 0.13 C ATOM 1412 C ASN A 93 -1.797 11.481 -4.192 1.00 0.12 C ATOM 1413 O ASN A 93 -2.468 10.513 -4.496 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.190 11.705 -6.621 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.354 12.556 -7.135 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -3.360 12.699 -6.470 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.257 13.133 -8.300 1.00 1.15 N ATOM 0 H ASN A 93 0.652 10.744 -4.562 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.929 13.223 -5.132 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.323 11.823 -7.271 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.460 10.649 -6.638 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.026 13.704 -8.652 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -1.413 13.014 -8.859 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.846 11.991 -2.994 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.733 11.395 -1.954 1.00 0.20 C ATOM 1426 C LYS A 94 -4.199 11.511 -2.373 1.00 0.18 C ATOM 1427 O LYS A 94 -5.009 10.662 -2.060 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.527 12.127 -0.622 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.530 13.664 -0.842 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.092 14.215 -0.837 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.623 14.438 0.607 1.00 0.78 C ATOM 1432 NZ LYS A 94 0.811 14.845 0.610 1.00 1.19 N ATOM 0 H LYS A 94 -1.307 12.801 -2.687 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.479 10.341 -1.840 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.317 11.852 0.077 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.583 11.819 -0.173 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -3.012 13.900 -1.791 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -3.113 14.148 -0.059 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.424 13.517 -1.342 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -1.051 15.153 -1.391 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -1.231 15.208 1.083 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.753 13.525 1.188 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.127 14.996 1.589 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.385 14.097 0.172 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.923 15.727 0.071 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.556 12.555 -3.066 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.975 12.706 -3.480 1.00 0.20 C ATOM 1448 C GLU A 95 -6.335 11.586 -4.460 1.00 0.17 C ATOM 1449 O GLU A 95 -7.474 11.175 -4.564 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.161 14.065 -4.157 1.00 0.24 C ATOM 1451 CG GLU A 95 -6.177 15.169 -3.097 1.00 0.33 C ATOM 1452 CD GLU A 95 -6.486 16.511 -3.763 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -5.564 17.123 -4.275 1.00 1.86 O ATOM 1454 OE2 GLU A 95 -7.641 16.904 -3.750 1.00 1.95 O ATOM 0 H GLU A 95 -3.931 13.305 -3.361 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.625 12.646 -2.607 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.354 14.242 -4.868 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.093 14.076 -4.723 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.926 14.947 -2.337 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -5.213 15.216 -2.591 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.362 11.085 -5.171 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.625 9.987 -6.140 1.00 0.14 C ATOM 1463 C LYS A 96 -5.981 8.715 -5.376 1.00 0.12 C ATOM 1464 O LYS A 96 -6.818 7.945 -5.796 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.374 9.746 -6.989 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.680 8.722 -8.088 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.533 8.683 -9.129 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.842 9.621 -10.305 1.00 1.18 C ATOM 1469 NZ LYS A 96 -4.087 11.001 -9.803 1.00 2.05 N ATOM 0 H LYS A 96 -4.391 11.392 -5.121 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.454 10.263 -6.791 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.040 10.683 -7.435 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.560 9.385 -6.360 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.812 7.734 -7.646 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.618 8.978 -8.581 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.596 8.978 -8.657 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.399 7.665 -9.494 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -3.009 9.623 -11.008 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.716 9.262 -10.848 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -4.127 11.661 -10.606 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -4.990 11.028 -9.287 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -3.315 11.280 -9.164 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.359 8.487 -4.251 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.677 7.262 -3.466 1.00 0.11 C ATOM 1485 C LEU A 97 -7.191 7.181 -3.265 1.00 0.11 C ATOM 1486 O LEU A 97 -7.781 6.120 -3.314 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.004 7.342 -2.089 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.516 6.999 -2.199 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.850 7.327 -0.857 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.330 5.492 -2.541 1.00 0.13 C ATOM 0 H LEU A 97 -4.647 9.094 -3.844 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.316 6.384 -4.002 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.123 8.344 -1.677 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.492 6.654 -1.399 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.057 7.581 -2.998 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.787 7.091 -0.911 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.975 8.387 -0.638 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.314 6.736 -0.067 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.267 5.264 -2.616 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.777 4.883 -1.756 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.816 5.272 -3.492 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.818 8.297 -3.025 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.293 8.290 -2.803 1.00 0.14 C ATOM 1504 C GLU A 98 -10.010 7.885 -4.094 1.00 0.13 C ATOM 1505 O GLU A 98 -10.748 6.919 -4.130 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.749 9.692 -2.371 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.093 9.601 -1.637 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.166 9.074 -2.592 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.584 9.828 -3.456 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.554 7.927 -2.441 1.00 2.05 O ATOM 0 H GLU A 98 -7.375 9.214 -2.973 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.539 7.572 -2.021 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -9.000 10.143 -1.721 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.844 10.338 -3.244 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.004 8.940 -0.775 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.379 10.582 -1.259 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.810 8.624 -5.148 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.489 8.298 -6.434 1.00 0.14 C ATOM 1519 C ALA A 99 -10.130 6.878 -6.884 1.00 0.12 C ATOM 1520 O ALA A 99 -10.950 6.172 -7.429 1.00 0.13 O ATOM 1521 CB ALA A 99 -10.045 9.297 -7.503 1.00 0.15 C ATOM 0 H ALA A 99 -9.203 9.443 -5.175 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.568 8.358 -6.291 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.538 9.064 -8.446 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.315 10.306 -7.192 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.965 9.234 -7.633 1.00 0.15 H new ATOM 1527 N THR A 100 -8.912 6.458 -6.673 1.00 0.11 N ATOM 1528 CA THR A 100 -8.503 5.087 -7.107 1.00 0.11 C ATOM 1529 C THR A 100 -9.218 4.033 -6.258 1.00 0.10 C ATOM 1530 O THR A 100 -9.768 3.080 -6.769 1.00 0.11 O ATOM 1531 CB THR A 100 -6.988 4.936 -6.949 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.347 6.059 -7.527 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.512 3.662 -7.652 1.00 0.12 C ATOM 0 H THR A 100 -8.180 7.004 -6.218 1.00 0.11 H new ATOM 0 HA THR A 100 -8.778 4.944 -8.152 1.00 0.11 H new ATOM 0 HB THR A 100 -6.741 4.871 -5.889 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.299 6.783 -6.868 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.433 3.563 -7.534 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.006 2.797 -7.211 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.758 3.718 -8.712 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.214 4.198 -4.966 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.895 3.204 -4.083 1.00 0.11 C ATOM 1543 C ILE A 101 -11.389 3.170 -4.429 1.00 0.13 C ATOM 1544 O ILE A 101 -11.959 2.119 -4.642 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.697 3.611 -2.610 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.243 3.309 -2.201 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.662 2.819 -1.713 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.910 3.952 -0.843 1.00 0.18 C ATOM 0 H ILE A 101 -8.770 4.977 -4.480 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.469 2.212 -4.235 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.902 4.675 -2.493 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.093 2.231 -2.144 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.561 3.685 -2.963 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.516 3.112 -0.673 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.690 3.030 -2.009 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.466 1.752 -1.820 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.878 3.724 -0.576 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.038 5.032 -0.911 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.578 3.555 -0.079 1.00 0.18 H new ATOM 1560 N ASN A 102 -12.025 4.308 -4.487 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.479 4.332 -4.816 1.00 0.17 C ATOM 1562 C ASN A 102 -13.699 3.738 -6.210 1.00 0.18 C ATOM 1563 O ASN A 102 -14.800 3.371 -6.574 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.980 5.778 -4.797 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.509 5.790 -4.829 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.127 4.823 -5.231 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.150 6.850 -4.420 1.00 1.03 N ATOM 0 H ASN A 102 -11.602 5.221 -4.321 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.027 3.744 -4.080 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.621 6.287 -3.902 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.584 6.322 -5.654 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.170 6.868 -4.437 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.631 7.661 -4.083 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.663 3.650 -6.994 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.807 3.091 -8.367 1.00 0.18 C ATOM 1576 C GLU A 103 -12.927 1.564 -8.310 1.00 0.19 C ATOM 1577 O GLU A 103 -13.911 0.991 -8.734 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.572 3.468 -9.194 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.887 3.345 -10.687 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.639 3.686 -11.503 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -9.554 3.345 -11.058 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.788 4.283 -12.555 1.00 2.02 O ATOM 0 H GLU A 103 -11.719 3.942 -6.743 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.707 3.501 -8.826 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.265 4.488 -8.961 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.737 2.817 -8.935 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.219 2.333 -10.917 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.703 4.016 -10.954 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.914 0.904 -7.814 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.938 -0.589 -7.752 1.00 0.19 C ATOM 1591 C LEU A 104 -12.500 -1.064 -6.407 1.00 0.19 C ATOM 1592 O LEU A 104 -12.270 -2.182 -5.992 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.509 -1.112 -7.932 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.953 -0.668 -9.296 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.425 -0.788 -9.281 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.521 -1.554 -10.418 1.00 0.35 C ATOM 0 H LEU A 104 -11.066 1.336 -7.447 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.580 -0.973 -8.545 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.872 -0.737 -7.131 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.500 -2.200 -7.863 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.245 0.366 -9.479 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.026 -0.474 -10.246 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.018 -0.151 -8.496 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.143 -1.824 -9.091 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.119 -1.228 -11.377 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.239 -2.592 -10.240 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.608 -1.470 -10.433 1.00 0.35 H new ATOM 1672 N PHE B 3 19.358 2.610 1.555 1.00 0.00 N ATOM 1673 CA PHE B 3 19.268 3.563 0.400 1.00 0.00 C ATOM 1674 C PHE B 3 18.985 2.766 -0.870 1.00 0.00 C ATOM 1675 O PHE B 3 19.598 1.750 -1.128 1.00 0.00 O ATOM 1676 CB PHE B 3 20.589 4.329 0.246 1.00 0.00 C ATOM 1677 CG PHE B 3 20.634 5.478 1.225 1.00 0.00 C ATOM 1678 CD1 PHE B 3 21.125 5.281 2.530 1.00 0.00 C ATOM 1679 CD2 PHE B 3 20.182 6.753 0.828 1.00 0.00 C ATOM 1680 CE1 PHE B 3 21.165 6.358 3.437 1.00 0.00 C ATOM 1681 CE2 PHE B 3 20.222 7.828 1.735 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.713 7.631 3.039 1.00 0.00 C ATOM 0 HA PHE B 3 18.467 4.281 0.577 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.431 3.659 0.420 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.685 4.704 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE B 3 21.471 4.304 2.835 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.805 6.905 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE B 3 21.542 6.207 4.438 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.876 8.805 1.430 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.743 8.456 3.735 1.00 0.00 H new ATOM 1692 N ARG B 4 18.046 3.219 -1.661 1.00 0.00 N ATOM 1693 CA ARG B 4 17.692 2.498 -2.922 1.00 0.00 C ATOM 1694 C ARG B 4 17.615 3.506 -4.073 1.00 0.00 C ATOM 1695 O ARG B 4 18.626 3.997 -4.531 1.00 0.00 O ATOM 1696 CB ARG B 4 16.336 1.814 -2.725 1.00 0.00 C ATOM 1697 CG ARG B 4 16.510 0.522 -1.901 1.00 0.00 C ATOM 1698 CD ARG B 4 16.821 -0.663 -2.825 1.00 0.00 C ATOM 1699 NE ARG B 4 15.583 -1.075 -3.544 1.00 0.00 N ATOM 1700 CZ ARG B 4 15.666 -1.842 -4.598 1.00 0.00 C ATOM 1701 NH1 ARG B 4 16.833 -2.238 -5.028 1.00 0.00 N ATOM 1702 NH2 ARG B 4 14.582 -2.213 -5.223 1.00 0.00 N ATOM 0 H ARG B 4 17.504 4.065 -1.486 1.00 0.00 H new ATOM 0 HA ARG B 4 18.447 1.749 -3.160 1.00 0.00 H new ATOM 0 HB2 ARG B 4 15.649 2.490 -2.215 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.893 1.580 -3.693 1.00 0.00 H new ATOM 0 HG2 ARG B 4 17.316 0.650 -1.179 1.00 0.00 H new ATOM 0 HG3 ARG B 4 15.602 0.320 -1.333 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.594 -0.385 -3.541 1.00 0.00 H new ATOM 0 HD3 ARG B 4 17.211 -1.498 -2.243 1.00 0.00 H new ATOM 0 HE ARG B 4 14.671 -0.758 -3.214 1.00 0.00 H new ATOM 0 HH11 ARG B 4 17.681 -1.949 -4.541 1.00 0.00 H new ATOM 0 HH12 ARG B 4 16.897 -2.837 -5.851 1.00 0.00 H new ATOM 0 HH21 ARG B 4 13.669 -1.904 -4.888 1.00 0.00 H new ATOM 0 HH22 ARG B 4 14.648 -2.812 -6.046 1.00 0.00 H new ATOM 1716 N TYR B 5 16.427 3.824 -4.540 1.00 0.00 N ATOM 1717 CA TYR B 5 16.288 4.813 -5.666 1.00 0.00 C ATOM 1718 C TYR B 5 15.684 6.126 -5.150 1.00 0.00 C ATOM 1719 O TYR B 5 15.485 6.314 -3.967 1.00 0.00 O ATOM 1720 CB TYR B 5 15.428 4.217 -6.793 1.00 0.00 C ATOM 1721 CG TYR B 5 14.307 3.383 -6.229 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.545 2.053 -5.835 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.019 3.927 -6.125 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.488 1.271 -5.324 1.00 0.00 C ATOM 1725 CE2 TYR B 5 11.963 3.149 -5.622 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.197 1.821 -5.215 1.00 0.00 C ATOM 1727 OH TYR B 5 11.160 1.059 -4.717 1.00 0.00 O ATOM 0 H TYR B 5 15.548 3.443 -4.191 1.00 0.00 H new ATOM 0 HA TYR B 5 17.277 5.030 -6.070 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.017 5.019 -7.406 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.050 3.604 -7.446 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.535 1.632 -5.924 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.838 4.946 -6.432 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.669 0.252 -5.017 1.00 0.00 H new ATOM 0 HE2 TYR B 5 10.971 3.569 -5.547 1.00 0.00 H new ATOM 0 HH TYR B 5 11.503 0.187 -4.430 1.00 0.00 H new ATOM 1737 N VAL B 6 15.446 7.053 -6.039 1.00 0.00 N ATOM 1738 CA VAL B 6 14.918 8.392 -5.636 1.00 0.00 C ATOM 1739 C VAL B 6 13.498 8.317 -5.075 1.00 0.00 C ATOM 1740 O VAL B 6 12.693 7.497 -5.471 1.00 0.00 O ATOM 1741 CB VAL B 6 14.899 9.309 -6.862 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.814 10.771 -6.417 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.175 9.097 -7.672 1.00 0.00 C ATOM 0 H VAL B 6 15.597 6.939 -7.041 1.00 0.00 H new ATOM 0 HA VAL B 6 15.572 8.777 -4.854 1.00 0.00 H new ATOM 0 HB VAL B 6 14.031 9.071 -7.476 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.801 11.418 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.902 10.923 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.679 11.014 -5.800 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.164 9.749 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.042 9.333 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.232 8.058 -7.996 1.00 0.00 H new ATOM 1753 N CYS B 7 13.183 9.223 -4.181 1.00 0.00 N ATOM 1754 CA CYS B 7 11.810 9.290 -3.604 1.00 0.00 C ATOM 1755 C CYS B 7 11.059 10.418 -4.312 1.00 0.00 C ATOM 1756 O CYS B 7 11.186 11.574 -3.959 1.00 0.00 O ATOM 1757 CB CYS B 7 11.877 9.584 -2.098 1.00 0.00 C ATOM 1758 SG CYS B 7 13.210 8.631 -1.326 1.00 0.00 S ATOM 0 H CYS B 7 13.830 9.926 -3.824 1.00 0.00 H new ATOM 0 HA CYS B 7 11.300 8.337 -3.745 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.042 10.649 -1.936 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.925 9.334 -1.630 1.00 0.00 H new ATOM 1763 N GLU B 8 10.295 10.102 -5.322 1.00 0.00 N ATOM 1764 CA GLU B 8 9.563 11.174 -6.059 1.00 0.00 C ATOM 1765 C GLU B 8 8.254 11.529 -5.338 1.00 0.00 C ATOM 1766 O GLU B 8 7.216 11.700 -5.954 1.00 0.00 O ATOM 1767 CB GLU B 8 9.255 10.697 -7.485 1.00 0.00 C ATOM 1768 CG GLU B 8 8.812 9.233 -7.449 1.00 0.00 C ATOM 1769 CD GLU B 8 8.096 8.878 -8.753 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.691 9.064 -9.802 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.966 8.425 -8.681 1.00 0.00 O ATOM 0 H GLU B 8 10.146 9.154 -5.668 1.00 0.00 H new ATOM 0 HA GLU B 8 10.191 12.064 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.472 11.314 -7.925 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.138 10.805 -8.115 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.677 8.585 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.148 9.065 -6.601 1.00 0.00 H new ATOM 1778 N GLY B 9 8.298 11.688 -4.045 1.00 0.00 N ATOM 1779 CA GLY B 9 7.066 12.081 -3.317 1.00 0.00 C ATOM 1780 C GLY B 9 6.813 13.567 -3.639 1.00 0.00 C ATOM 1781 O GLY B 9 6.809 13.916 -4.802 1.00 0.00 O ATOM 0 H GLY B 9 9.129 11.563 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.220 11.468 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.187 11.933 -2.244 1.00 0.00 H new ATOM 1785 N PRO B 10 6.643 14.432 -2.652 1.00 0.00 N ATOM 1786 CA PRO B 10 6.435 15.863 -2.943 1.00 0.00 C ATOM 1787 C PRO B 10 7.704 16.459 -3.576 1.00 0.00 C ATOM 1788 O PRO B 10 7.913 17.657 -3.565 1.00 0.00 O ATOM 1789 CB PRO B 10 6.136 16.516 -1.572 1.00 0.00 C ATOM 1790 CG PRO B 10 6.288 15.410 -0.487 1.00 0.00 C ATOM 1791 CD PRO B 10 6.628 14.089 -1.211 1.00 0.00 C ATOM 0 HA PRO B 10 5.622 16.032 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.825 17.339 -1.380 1.00 0.00 H new ATOM 0 HB3 PRO B 10 5.129 16.933 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO B 10 7.075 15.673 0.220 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.367 15.306 0.086 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.594 13.700 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.886 13.320 -0.997 1.00 0.00 H new ATOM 1799 N SER B 11 8.548 15.627 -4.122 1.00 0.00 N ATOM 1800 CA SER B 11 9.806 16.116 -4.754 1.00 0.00 C ATOM 1801 C SER B 11 9.566 16.377 -6.246 1.00 0.00 C ATOM 1802 O SER B 11 10.492 16.559 -7.011 1.00 0.00 O ATOM 1803 CB SER B 11 10.891 15.047 -4.590 1.00 0.00 C ATOM 1804 OG SER B 11 12.168 15.634 -4.798 1.00 0.00 O ATOM 0 H SER B 11 8.417 14.616 -4.157 1.00 0.00 H new ATOM 0 HA SER B 11 10.123 17.043 -4.276 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.838 14.609 -3.593 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.730 14.238 -5.302 1.00 0.00 H new ATOM 0 HG SER B 11 12.162 16.141 -5.637 1.00 0.00 H new