USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=23 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 Single : A 3 LYS NZ :NH3+ 159:sc= -0.0245 (180deg=-0.552) USER MOD Single : A 4 GLN : amide:sc= -0.0311 K(o=-0.031,f=-1.5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -122:sc= 0.0101 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.07! K(o=-1.1!,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0232) USER MOD Single : A 28 SER OG : rot 151:sc= 0.164 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -132:sc= -1.13 (180deg=-3.41!) USER MOD Single : A 43 HIS : no HD1:sc= -0.782 K(o=-0.78,f=-0.12) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 92:sc= 0.569 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 151:sc= 1.28 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.82! K(o=-2.8!,f=-2.2) USER MOD Single : A 63 GLN : amide:sc= -5.86! C(o=-5.9!,f=-3.3!) USER MOD Single : A 67 SER OG : rot 69:sc= 1.09 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.0223 (180deg=-0.341) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.663 USER MOD Single : A 76 THR OG1 : rot -65:sc= -1.69! USER MOD Single : A 78 GLN : amide:sc= -2.94! C(o=-2.9!,f=-4.8!) USER MOD Single : A 81 LYS NZ :NH3+ -141:sc= 1.08 (180deg=-0.779) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.68! K(o=-1.7!,f=-0.042) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 129:sc= 1.14 USER MOD Single : A 93 ASN : amide:sc= -3.35! K(o=-3.4!,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ -114:sc= -4.2! (180deg=-7.84!) USER MOD Single : A 96 LYS NZ :NH3+ -143:sc= 0 (180deg=-1.06) USER MOD Single : A 100 THR OG1 : rot 80:sc= 0.464 USER MOD Single : A 102 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.9!) USER MOD Single : B 5 TYR OH : rot -164:sc= -4.65! USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.096 -1.767 8.697 1.00 0.24 N ATOM 21 CA VAL A 2 -2.728 -1.602 8.118 1.00 0.19 C ATOM 22 C VAL A 2 -1.918 -2.884 8.350 1.00 0.22 C ATOM 23 O VAL A 2 -2.190 -3.645 9.256 1.00 0.28 O ATOM 24 CB VAL A 2 -2.025 -0.423 8.796 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.601 -0.298 8.251 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.793 0.870 8.504 1.00 0.30 C ATOM 0 HA VAL A 2 -2.806 -1.410 7.048 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.993 -0.592 9.872 1.00 0.20 H new ATOM 0 HG11 VAL A 2 -0.099 0.541 8.733 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.051 -1.216 8.456 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.637 -0.130 7.175 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.291 1.708 8.987 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.826 1.038 7.428 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.809 0.784 8.889 1.00 0.30 H new ATOM 36 N LYS A 3 -0.920 -3.124 7.539 1.00 0.18 N ATOM 37 CA LYS A 3 -0.084 -4.353 7.713 1.00 0.22 C ATOM 38 C LYS A 3 1.304 -4.105 7.120 1.00 0.16 C ATOM 39 O LYS A 3 1.442 -3.776 5.960 1.00 0.13 O ATOM 40 CB LYS A 3 -0.728 -5.537 6.987 1.00 0.26 C ATOM 41 CG LYS A 3 0.020 -6.824 7.346 1.00 0.34 C ATOM 42 CD LYS A 3 -0.730 -8.028 6.772 1.00 0.81 C ATOM 43 CE LYS A 3 0.185 -9.253 6.787 1.00 1.37 C ATOM 44 NZ LYS A 3 0.862 -9.354 8.111 1.00 1.97 N ATOM 0 H LYS A 3 -0.646 -2.522 6.762 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.006 -4.581 8.776 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.777 -5.623 7.269 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.700 -5.376 5.909 1.00 0.26 H new ATOM 0 HG2 LYS A 3 1.034 -6.791 6.948 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.105 -6.918 8.429 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -1.628 -8.224 7.358 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.055 -7.816 5.753 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.395 -10.155 6.594 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.927 -9.175 5.993 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 1.188 -10.330 8.261 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 1.678 -8.709 8.134 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 0.193 -9.093 8.864 1.00 1.97 H new ATOM 58 N GLN A 4 2.332 -4.254 7.911 1.00 0.18 N ATOM 59 CA GLN A 4 3.715 -4.020 7.396 1.00 0.15 C ATOM 60 C GLN A 4 4.289 -5.323 6.834 1.00 0.13 C ATOM 61 O GLN A 4 4.195 -6.372 7.438 1.00 0.14 O ATOM 62 CB GLN A 4 4.599 -3.519 8.547 1.00 0.20 C ATOM 63 CG GLN A 4 6.090 -3.662 8.185 1.00 0.21 C ATOM 64 CD GLN A 4 6.930 -2.744 9.075 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.428 -2.165 10.017 1.00 0.81 O ATOM 66 NE2 GLN A 4 8.198 -2.587 8.813 1.00 0.98 N ATOM 0 H GLN A 4 2.276 -4.528 8.892 1.00 0.18 H new ATOM 0 HA GLN A 4 3.687 -3.275 6.601 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.369 -2.475 8.762 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.383 -4.086 9.453 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.407 -4.697 8.313 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.245 -3.408 7.136 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.619 -3.074 8.022 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.768 -1.978 9.399 1.00 0.98 H new ATOM 75 N ILE A 5 4.907 -5.247 5.687 1.00 0.10 N ATOM 76 CA ILE A 5 5.529 -6.456 5.068 1.00 0.10 C ATOM 77 C ILE A 5 7.040 -6.339 5.264 1.00 0.10 C ATOM 78 O ILE A 5 7.659 -5.410 4.784 1.00 0.11 O ATOM 79 CB ILE A 5 5.233 -6.480 3.567 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.732 -6.196 3.299 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.674 -7.823 2.955 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.796 -7.045 4.182 1.00 0.19 C ATOM 0 H ILE A 5 5.009 -4.389 5.145 1.00 0.10 H new ATOM 0 HA ILE A 5 5.134 -7.363 5.525 1.00 0.10 H new ATOM 0 HB ILE A 5 5.807 -5.689 3.084 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.530 -5.139 3.475 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.511 -6.393 2.250 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.457 -7.825 1.887 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.745 -7.958 3.108 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.133 -8.637 3.437 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.759 -6.803 3.950 1.00 0.19 H new ATOM 0 HD12 ILE A 5 2.974 -8.103 3.989 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.993 -6.830 5.232 1.00 0.19 H new ATOM 94 N GLU A 6 7.641 -7.251 5.971 1.00 0.11 N ATOM 95 CA GLU A 6 9.113 -7.170 6.206 1.00 0.14 C ATOM 96 C GLU A 6 9.837 -8.137 5.264 1.00 0.14 C ATOM 97 O GLU A 6 11.030 -8.040 5.058 1.00 0.17 O ATOM 98 CB GLU A 6 9.402 -7.556 7.658 1.00 0.18 C ATOM 99 CG GLU A 6 8.373 -6.905 8.589 1.00 0.31 C ATOM 100 CD GLU A 6 8.674 -7.304 10.035 1.00 1.20 C ATOM 101 OE1 GLU A 6 9.200 -8.386 10.233 1.00 1.97 O ATOM 102 OE2 GLU A 6 8.372 -6.521 10.921 1.00 1.96 O ATOM 0 H GLU A 6 7.178 -8.053 6.399 1.00 0.11 H new ATOM 0 HA GLU A 6 9.464 -6.156 6.015 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.369 -8.640 7.768 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.407 -7.238 7.934 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.406 -5.821 8.485 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.366 -7.221 8.315 1.00 0.31 H new ATOM 109 N SER A 7 9.125 -9.068 4.686 1.00 0.13 N ATOM 110 CA SER A 7 9.775 -10.034 3.753 1.00 0.15 C ATOM 111 C SER A 7 8.740 -10.566 2.762 1.00 0.14 C ATOM 112 O SER A 7 7.549 -10.505 2.994 1.00 0.12 O ATOM 113 CB SER A 7 10.368 -11.193 4.552 1.00 0.20 C ATOM 114 OG SER A 7 9.458 -11.573 5.576 1.00 0.23 O ATOM 0 H SER A 7 8.123 -9.201 4.820 1.00 0.13 H new ATOM 0 HA SER A 7 10.570 -9.530 3.204 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.567 -12.039 3.894 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.322 -10.898 4.989 1.00 0.20 H new ATOM 0 HG SER A 7 9.835 -12.318 6.089 1.00 0.23 H new ATOM 120 N LYS A 8 9.191 -11.089 1.656 1.00 0.15 N ATOM 121 CA LYS A 8 8.246 -11.630 0.641 1.00 0.14 C ATOM 122 C LYS A 8 7.272 -12.606 1.309 1.00 0.14 C ATOM 123 O LYS A 8 6.173 -12.823 0.838 1.00 0.13 O ATOM 124 CB LYS A 8 9.042 -12.362 -0.443 1.00 0.17 C ATOM 125 CG LYS A 8 8.129 -12.679 -1.632 1.00 0.21 C ATOM 126 CD LYS A 8 8.911 -13.466 -2.700 1.00 0.22 C ATOM 127 CE LYS A 8 9.646 -12.499 -3.636 1.00 1.06 C ATOM 128 NZ LYS A 8 10.483 -13.276 -4.594 1.00 1.90 N ATOM 0 H LYS A 8 10.178 -11.165 1.411 1.00 0.15 H new ATOM 0 HA LYS A 8 7.681 -10.812 0.195 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.880 -11.746 -0.770 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.462 -13.283 -0.039 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.270 -13.260 -1.297 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.741 -11.755 -2.060 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.626 -14.133 -2.220 1.00 0.22 H new ATOM 0 HD3 LYS A 8 8.228 -14.091 -3.275 1.00 0.22 H new ATOM 0 HE2 LYS A 8 8.928 -11.885 -4.179 1.00 1.06 H new ATOM 0 HE3 LYS A 8 10.272 -11.820 -3.057 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 11.477 -12.983 -4.503 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 10.400 -14.291 -4.383 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 10.157 -13.096 -5.565 1.00 1.90 H new ATOM 142 N THR A 9 7.670 -13.202 2.399 1.00 0.16 N ATOM 143 CA THR A 9 6.776 -14.172 3.095 1.00 0.18 C ATOM 144 C THR A 9 5.487 -13.477 3.544 1.00 0.16 C ATOM 145 O THR A 9 4.396 -13.954 3.299 1.00 0.17 O ATOM 146 CB THR A 9 7.498 -14.736 4.315 1.00 0.21 C ATOM 147 OG1 THR A 9 8.782 -15.209 3.930 1.00 0.24 O ATOM 148 CG2 THR A 9 6.683 -15.886 4.911 1.00 0.25 C ATOM 0 H THR A 9 8.579 -13.059 2.840 1.00 0.16 H new ATOM 0 HA THR A 9 6.522 -14.979 2.407 1.00 0.18 H new ATOM 0 HB THR A 9 7.611 -13.951 5.063 1.00 0.21 H new ATOM 0 HG1 THR A 9 9.246 -15.570 4.714 1.00 0.24 H new ATOM 0 HG21 THR A 9 7.202 -16.286 5.782 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.701 -15.519 5.210 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.565 -16.673 4.166 1.00 0.25 H new ATOM 156 N ALA A 10 5.607 -12.362 4.207 1.00 0.16 N ATOM 157 CA ALA A 10 4.393 -11.634 4.684 1.00 0.17 C ATOM 158 C ALA A 10 3.636 -11.043 3.494 1.00 0.15 C ATOM 159 O ALA A 10 2.455 -10.768 3.577 1.00 0.17 O ATOM 160 CB ALA A 10 4.819 -10.506 5.626 1.00 0.20 C ATOM 0 H ALA A 10 6.496 -11.920 4.441 1.00 0.16 H new ATOM 0 HA ALA A 10 3.741 -12.330 5.211 1.00 0.17 H new ATOM 0 HB1 ALA A 10 3.936 -9.972 5.977 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.352 -10.926 6.479 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.473 -9.815 5.094 1.00 0.20 H new ATOM 166 N PHE A 11 4.298 -10.839 2.391 1.00 0.12 N ATOM 167 CA PHE A 11 3.602 -10.257 1.209 1.00 0.11 C ATOM 168 C PHE A 11 2.445 -11.161 0.792 1.00 0.13 C ATOM 169 O PHE A 11 1.296 -10.786 0.882 1.00 0.16 O ATOM 170 CB PHE A 11 4.584 -10.118 0.042 1.00 0.10 C ATOM 171 CG PHE A 11 3.862 -9.549 -1.160 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.419 -8.213 -1.148 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.638 -10.353 -2.295 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.752 -7.680 -2.268 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.970 -9.822 -3.415 1.00 0.18 C ATOM 176 CZ PHE A 11 2.527 -8.485 -3.402 1.00 0.21 C ATOM 0 H PHE A 11 5.287 -11.049 2.256 1.00 0.12 H new ATOM 0 HA PHE A 11 3.216 -9.273 1.476 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.411 -9.467 0.324 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.013 -11.089 -0.204 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.591 -7.596 -0.279 1.00 0.16 H new ATOM 0 HD2 PHE A 11 3.979 -11.378 -2.306 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.413 -6.655 -2.258 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.797 -10.440 -4.284 1.00 0.18 H new ATOM 0 HZ PHE A 11 2.015 -8.077 -4.261 1.00 0.21 H new ATOM 186 N GLN A 12 2.737 -12.344 0.330 1.00 0.15 N ATOM 187 CA GLN A 12 1.645 -13.261 -0.105 1.00 0.19 C ATOM 188 C GLN A 12 0.647 -13.459 1.036 1.00 0.17 C ATOM 189 O GLN A 12 -0.551 -13.411 0.839 1.00 0.16 O ATOM 190 CB GLN A 12 2.244 -14.614 -0.496 1.00 0.24 C ATOM 191 CG GLN A 12 3.310 -14.409 -1.573 1.00 1.21 C ATOM 192 CD GLN A 12 3.775 -15.768 -2.097 1.00 1.77 C ATOM 193 OE1 GLN A 12 4.447 -15.847 -3.106 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.443 -16.852 -1.451 1.00 2.47 N ATOM 0 H GLN A 12 3.682 -12.716 0.234 1.00 0.15 H new ATOM 0 HA GLN A 12 1.130 -12.825 -0.961 1.00 0.19 H new ATOM 0 HB2 GLN A 12 2.683 -15.095 0.378 1.00 0.24 H new ATOM 0 HB3 GLN A 12 1.462 -15.277 -0.866 1.00 0.24 H new ATOM 0 HG2 GLN A 12 2.906 -13.811 -2.390 1.00 1.21 H new ATOM 0 HG3 GLN A 12 4.156 -13.857 -1.162 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.879 -16.788 -0.604 1.00 2.47 H new ATOM 0 HE22 GLN A 12 3.748 -17.763 -1.793 1.00 2.47 H new ATOM 203 N GLU A 13 1.126 -13.687 2.224 1.00 0.19 N ATOM 204 CA GLU A 13 0.201 -13.892 3.368 1.00 0.20 C ATOM 205 C GLU A 13 -0.705 -12.667 3.529 1.00 0.18 C ATOM 206 O GLU A 13 -1.861 -12.786 3.884 1.00 0.19 O ATOM 207 CB GLU A 13 1.022 -14.101 4.644 1.00 0.25 C ATOM 208 CG GLU A 13 1.536 -15.542 4.706 1.00 0.30 C ATOM 209 CD GLU A 13 2.619 -15.649 5.780 1.00 1.29 C ATOM 210 OE1 GLU A 13 2.708 -14.746 6.596 1.00 2.10 O ATOM 211 OE2 GLU A 13 3.344 -16.630 5.767 1.00 2.03 O ATOM 0 H GLU A 13 2.119 -13.740 2.452 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.420 -14.769 3.184 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.861 -13.406 4.664 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.409 -13.887 5.520 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.716 -16.223 4.932 1.00 0.30 H new ATOM 0 HG3 GLU A 13 1.938 -15.838 3.737 1.00 0.30 H new ATOM 218 N ALA A 14 -0.195 -11.490 3.279 1.00 0.18 N ATOM 219 CA ALA A 14 -1.041 -10.271 3.426 1.00 0.18 C ATOM 220 C ALA A 14 -2.229 -10.348 2.453 1.00 0.18 C ATOM 221 O ALA A 14 -3.362 -10.107 2.818 1.00 0.19 O ATOM 222 CB ALA A 14 -0.202 -9.034 3.108 1.00 0.20 C ATOM 0 H ALA A 14 0.766 -11.321 2.981 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.415 -10.208 4.448 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.817 -8.140 3.214 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.641 -8.979 3.797 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.169 -9.099 2.085 1.00 0.20 H new ATOM 228 N LEU A 15 -1.967 -10.683 1.216 1.00 0.17 N ATOM 229 CA LEU A 15 -3.064 -10.781 0.199 1.00 0.18 C ATOM 230 C LEU A 15 -4.035 -11.901 0.586 1.00 0.18 C ATOM 231 O LEU A 15 -5.237 -11.748 0.495 1.00 0.18 O ATOM 232 CB LEU A 15 -2.452 -11.086 -1.176 1.00 0.19 C ATOM 233 CG LEU A 15 -1.160 -10.285 -1.357 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.656 -10.450 -2.792 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.432 -8.804 -1.087 1.00 0.62 C ATOM 0 H LEU A 15 -1.034 -10.895 0.862 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.607 -9.836 0.160 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.245 -12.153 -1.264 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.161 -10.833 -1.964 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.408 -10.651 -0.658 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.264 -9.880 -2.922 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.461 -11.504 -2.990 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.411 -10.084 -3.487 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.511 -8.235 -1.216 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.185 -8.439 -1.786 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -1.794 -8.681 -0.066 1.00 0.62 H new ATOM 247 N ASP A 16 -3.526 -13.026 1.006 1.00 0.19 N ATOM 248 CA ASP A 16 -4.426 -14.153 1.385 1.00 0.21 C ATOM 249 C ASP A 16 -5.283 -13.750 2.588 1.00 0.20 C ATOM 250 O ASP A 16 -6.460 -14.047 2.650 1.00 0.20 O ATOM 251 CB ASP A 16 -3.584 -15.379 1.746 1.00 0.24 C ATOM 252 CG ASP A 16 -4.487 -16.609 1.848 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.097 -16.787 2.890 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.554 -17.352 0.883 1.00 1.09 O ATOM 0 H ASP A 16 -2.528 -13.214 1.103 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.077 -14.392 0.544 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.816 -15.541 0.990 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.069 -15.214 2.693 1.00 0.24 H new ATOM 259 N ALA A 17 -4.707 -13.079 3.547 1.00 0.22 N ATOM 260 CA ALA A 17 -5.498 -12.666 4.742 1.00 0.24 C ATOM 261 C ALA A 17 -6.329 -11.428 4.402 1.00 0.21 C ATOM 262 O ALA A 17 -7.227 -11.052 5.131 1.00 0.22 O ATOM 263 CB ALA A 17 -4.547 -12.340 5.895 1.00 0.30 C ATOM 0 H ALA A 17 -3.726 -12.799 3.556 1.00 0.22 H new ATOM 0 HA ALA A 17 -6.162 -13.479 5.036 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -5.125 -12.038 6.769 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.955 -13.222 6.139 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.883 -11.527 5.600 1.00 0.30 H new ATOM 269 N ALA A 18 -6.038 -10.788 3.303 1.00 0.21 N ATOM 270 CA ALA A 18 -6.811 -9.574 2.919 1.00 0.22 C ATOM 271 C ALA A 18 -8.241 -9.969 2.546 1.00 0.21 C ATOM 272 O ALA A 18 -9.084 -9.127 2.305 1.00 0.24 O ATOM 273 CB ALA A 18 -6.139 -8.902 1.721 1.00 0.23 C ATOM 0 H ALA A 18 -5.297 -11.054 2.654 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.837 -8.881 3.760 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.703 -8.013 1.439 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.122 -8.616 1.988 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.112 -9.597 0.882 1.00 0.23 H new ATOM 279 N GLY A 19 -8.525 -11.242 2.493 1.00 0.22 N ATOM 280 CA GLY A 19 -9.902 -11.682 2.132 1.00 0.24 C ATOM 281 C GLY A 19 -10.169 -11.361 0.659 1.00 0.20 C ATOM 282 O GLY A 19 -9.590 -11.958 -0.229 1.00 0.28 O ATOM 0 H GLY A 19 -7.864 -11.995 2.684 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -10.012 -12.752 2.308 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.634 -11.179 2.764 1.00 0.24 H new ATOM 286 N ASP A 20 -11.042 -10.423 0.392 1.00 0.13 N ATOM 287 CA ASP A 20 -11.358 -10.051 -1.023 1.00 0.18 C ATOM 288 C ASP A 20 -11.488 -8.522 -1.116 1.00 0.15 C ATOM 289 O ASP A 20 -11.782 -7.979 -2.161 1.00 0.22 O ATOM 290 CB ASP A 20 -12.675 -10.769 -1.449 1.00 0.26 C ATOM 291 CG ASP A 20 -13.815 -9.771 -1.739 1.00 1.43 C ATOM 292 OD1 ASP A 20 -14.208 -9.066 -0.823 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.273 -9.737 -2.870 1.00 2.19 O ATOM 0 H ASP A 20 -11.554 -9.894 1.098 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.564 -10.367 -1.699 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.487 -11.372 -2.338 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -12.986 -11.453 -0.659 1.00 0.26 H new ATOM 298 N LYS A 21 -11.272 -7.824 -0.033 1.00 0.12 N ATOM 299 CA LYS A 21 -11.391 -6.343 -0.080 1.00 0.19 C ATOM 300 C LYS A 21 -10.251 -5.776 -0.916 1.00 0.15 C ATOM 301 O LYS A 21 -9.308 -6.467 -1.244 1.00 0.15 O ATOM 302 CB LYS A 21 -11.317 -5.784 1.339 1.00 0.27 C ATOM 303 CG LYS A 21 -12.664 -5.973 2.035 1.00 0.29 C ATOM 304 CD LYS A 21 -12.492 -5.747 3.535 1.00 0.30 C ATOM 305 CE LYS A 21 -13.856 -5.494 4.175 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.684 -5.255 5.637 1.00 1.90 N ATOM 0 H LYS A 21 -11.020 -8.214 0.875 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.344 -6.063 -0.528 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.532 -6.291 1.900 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.056 -4.726 1.311 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.396 -5.274 1.632 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.045 -6.977 1.848 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -12.020 -6.617 3.992 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.833 -4.897 3.712 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.334 -4.632 3.709 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.511 -6.350 4.010 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.606 -5.033 6.063 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.292 -6.108 6.085 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.033 -4.457 5.784 1.00 1.90 H new ATOM 320 N LEU A 22 -10.322 -4.524 -1.267 1.00 0.13 N ATOM 321 CA LEU A 22 -9.231 -3.936 -2.081 1.00 0.11 C ATOM 322 C LEU A 22 -7.937 -3.992 -1.248 1.00 0.10 C ATOM 323 O LEU A 22 -7.974 -4.195 -0.050 1.00 0.11 O ATOM 324 CB LEU A 22 -9.597 -2.473 -2.436 1.00 0.12 C ATOM 325 CG LEU A 22 -9.257 -2.128 -3.903 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.543 -0.628 -4.140 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.779 -2.432 -4.218 1.00 0.11 C ATOM 0 H LEU A 22 -11.083 -3.889 -1.027 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.089 -4.488 -3.010 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.662 -2.314 -2.264 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.062 -1.795 -1.771 1.00 0.12 H new ATOM 0 HG LEU A 22 -9.873 -2.740 -4.562 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.307 -0.371 -5.173 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.596 -0.423 -3.947 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -8.928 -0.030 -3.468 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.569 -2.179 -5.257 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.138 -1.840 -3.564 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.583 -3.492 -4.056 1.00 0.11 H new ATOM 339 N VAL A 23 -6.798 -3.814 -1.863 1.00 0.08 N ATOM 340 CA VAL A 23 -5.517 -3.854 -1.098 1.00 0.09 C ATOM 341 C VAL A 23 -4.533 -2.858 -1.711 1.00 0.08 C ATOM 342 O VAL A 23 -3.950 -3.108 -2.746 1.00 0.09 O ATOM 343 CB VAL A 23 -4.922 -5.263 -1.166 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.795 -5.382 -0.144 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.007 -6.295 -0.852 1.00 0.10 C ATOM 0 H VAL A 23 -6.699 -3.642 -2.864 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.706 -3.591 -0.057 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.531 -5.446 -2.167 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.368 -6.384 -0.188 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.022 -4.647 -0.368 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.190 -5.200 0.856 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.581 -7.297 -0.901 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.400 -6.116 0.149 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.814 -6.208 -1.580 1.00 0.10 H new ATOM 355 N VAL A 24 -4.341 -1.728 -1.076 1.00 0.08 N ATOM 356 CA VAL A 24 -3.388 -0.709 -1.614 1.00 0.08 C ATOM 357 C VAL A 24 -2.060 -0.833 -0.865 1.00 0.08 C ATOM 358 O VAL A 24 -2.021 -0.895 0.348 1.00 0.08 O ATOM 359 CB VAL A 24 -3.971 0.694 -1.418 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.253 1.688 -2.335 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.464 0.678 -1.753 1.00 0.09 C ATOM 0 H VAL A 24 -4.805 -1.467 -0.206 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.225 -0.876 -2.679 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.833 0.998 -0.380 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.672 2.684 -2.191 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.190 1.703 -2.094 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.385 1.385 -3.374 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.879 1.676 -1.614 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.601 0.370 -2.789 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.977 -0.023 -1.095 1.00 0.09 H new ATOM 371 N VAL A 25 -0.972 -0.886 -1.587 1.00 0.09 N ATOM 372 CA VAL A 25 0.372 -1.023 -0.945 1.00 0.09 C ATOM 373 C VAL A 25 1.124 0.295 -1.067 1.00 0.10 C ATOM 374 O VAL A 25 1.128 0.921 -2.106 1.00 0.17 O ATOM 375 CB VAL A 25 1.173 -2.115 -1.667 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.366 -2.531 -0.804 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.280 -3.332 -1.921 1.00 0.09 C ATOM 0 H VAL A 25 -0.956 -0.840 -2.606 1.00 0.09 H new ATOM 0 HA VAL A 25 0.246 -1.286 0.105 1.00 0.09 H new ATOM 0 HB VAL A 25 1.530 -1.725 -2.620 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.934 -3.307 -1.318 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.007 -1.667 -0.629 1.00 0.12 H new ATOM 0 HG13 VAL A 25 2.008 -2.916 0.151 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.854 -4.104 -2.434 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.083 -3.722 -0.970 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.568 -3.038 -2.540 1.00 0.09 H new ATOM 387 N ASP A 26 1.767 0.715 -0.014 1.00 0.08 N ATOM 388 CA ASP A 26 2.535 1.994 -0.050 1.00 0.08 C ATOM 389 C ASP A 26 4.030 1.682 -0.021 1.00 0.08 C ATOM 390 O ASP A 26 4.593 1.394 1.016 1.00 0.09 O ATOM 391 CB ASP A 26 2.171 2.835 1.173 1.00 0.09 C ATOM 392 CG ASP A 26 3.033 4.099 1.199 1.00 0.09 C ATOM 393 OD1 ASP A 26 2.857 4.930 0.324 1.00 0.93 O ATOM 394 OD2 ASP A 26 3.853 4.215 2.095 1.00 0.96 O ATOM 0 H ASP A 26 1.795 0.223 0.879 1.00 0.08 H new ATOM 0 HA ASP A 26 2.292 2.545 -0.959 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.115 3.103 1.142 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.327 2.257 2.084 1.00 0.09 H new ATOM 399 N PHE A 27 4.681 1.749 -1.147 1.00 0.08 N ATOM 400 CA PHE A 27 6.140 1.469 -1.175 1.00 0.09 C ATOM 401 C PHE A 27 6.864 2.761 -0.812 1.00 0.11 C ATOM 402 O PHE A 27 7.336 3.478 -1.671 1.00 0.13 O ATOM 403 CB PHE A 27 6.549 1.052 -2.587 1.00 0.10 C ATOM 404 CG PHE A 27 6.175 -0.392 -2.843 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.850 -0.738 -3.182 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.160 -1.390 -2.760 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.517 -2.086 -3.432 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.828 -2.734 -3.011 1.00 0.21 C ATOM 409 CZ PHE A 27 5.507 -3.082 -3.348 1.00 0.23 C ATOM 0 H PHE A 27 4.265 1.985 -2.048 1.00 0.08 H new ATOM 0 HA PHE A 27 6.391 0.671 -0.477 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.060 1.695 -3.318 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.624 1.184 -2.714 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.092 0.028 -3.250 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.175 -1.125 -2.503 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.502 -2.353 -3.688 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.588 -3.499 -2.945 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.253 -4.114 -3.542 1.00 0.23 H new ATOM 419 N SER A 28 6.934 3.067 0.457 1.00 0.11 N ATOM 420 CA SER A 28 7.612 4.321 0.908 1.00 0.12 C ATOM 421 C SER A 28 8.865 3.965 1.697 1.00 0.10 C ATOM 422 O SER A 28 8.912 2.969 2.390 1.00 0.11 O ATOM 423 CB SER A 28 6.661 5.106 1.810 1.00 0.17 C ATOM 424 OG SER A 28 5.582 5.606 1.032 1.00 1.03 O ATOM 0 H SER A 28 6.547 2.496 1.209 1.00 0.11 H new ATOM 0 HA SER A 28 7.884 4.922 0.040 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.284 4.464 2.606 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.192 5.929 2.289 1.00 0.17 H new ATOM 0 HG SER A 28 4.784 5.688 1.594 1.00 1.03 H new ATOM 430 N ALA A 29 9.880 4.776 1.610 1.00 0.10 N ATOM 431 CA ALA A 29 11.128 4.489 2.368 1.00 0.15 C ATOM 432 C ALA A 29 11.041 5.175 3.736 1.00 0.18 C ATOM 433 O ALA A 29 10.837 6.368 3.832 1.00 0.26 O ATOM 434 CB ALA A 29 12.330 5.019 1.574 1.00 0.19 C ATOM 0 H ALA A 29 9.900 5.626 1.046 1.00 0.10 H new ATOM 0 HA ALA A 29 11.250 3.416 2.514 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.249 4.812 2.123 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.370 4.527 0.602 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.226 6.095 1.432 1.00 0.19 H new ATOM 440 N THR A 30 11.179 4.423 4.792 1.00 0.18 N ATOM 441 CA THR A 30 11.088 5.021 6.156 1.00 0.23 C ATOM 442 C THR A 30 12.243 6.002 6.385 1.00 0.26 C ATOM 443 O THR A 30 12.167 6.874 7.227 1.00 0.31 O ATOM 444 CB THR A 30 11.155 3.906 7.203 1.00 0.26 C ATOM 445 OG1 THR A 30 10.997 4.465 8.500 1.00 0.32 O ATOM 446 CG2 THR A 30 12.507 3.196 7.112 1.00 0.28 C ATOM 0 H THR A 30 11.351 3.418 4.771 1.00 0.18 H new ATOM 0 HA THR A 30 10.144 5.559 6.245 1.00 0.23 H new ATOM 0 HB THR A 30 10.357 3.186 7.018 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.038 3.752 9.171 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.552 2.403 7.858 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.626 2.766 6.118 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.307 3.913 7.295 1.00 0.28 H new ATOM 454 N TRP A 31 13.315 5.864 5.650 1.00 0.26 N ATOM 455 CA TRP A 31 14.475 6.789 5.838 1.00 0.32 C ATOM 456 C TRP A 31 14.318 8.015 4.941 1.00 0.32 C ATOM 457 O TRP A 31 14.933 9.039 5.161 1.00 0.36 O ATOM 458 CB TRP A 31 15.769 6.062 5.463 1.00 0.34 C ATOM 459 CG TRP A 31 15.763 5.740 4.005 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.421 4.545 3.473 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.109 6.603 2.887 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.543 4.617 2.096 1.00 0.25 N ATOM 463 CE2 TRP A 31 15.958 5.864 1.684 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.538 7.947 2.798 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.222 6.440 0.432 1.00 0.32 C ATOM 466 CZ3 TRP A 31 16.804 8.529 1.543 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.647 7.778 0.361 1.00 0.40 C ATOM 0 H TRP A 31 13.439 5.153 4.929 1.00 0.26 H new ATOM 0 HA TRP A 31 14.511 7.105 6.880 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.630 6.685 5.704 1.00 0.34 H new ATOM 0 HB3 TRP A 31 15.865 5.147 6.047 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.104 3.676 4.031 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.349 3.841 1.463 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.663 8.531 3.698 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.100 5.860 -0.470 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.130 9.557 1.486 1.00 0.44 H new ATOM 0 HH2 TRP A 31 16.853 8.230 -0.598 1.00 0.40 H new ATOM 478 N CYS A 32 13.517 7.912 3.919 1.00 0.28 N ATOM 479 CA CYS A 32 13.341 9.062 2.986 1.00 0.30 C ATOM 480 C CYS A 32 12.172 9.943 3.450 1.00 0.31 C ATOM 481 O CYS A 32 11.074 9.477 3.680 1.00 0.29 O ATOM 482 CB CYS A 32 13.076 8.504 1.582 1.00 0.28 C ATOM 483 SG CYS A 32 13.728 9.645 0.336 1.00 0.32 S ATOM 0 H CYS A 32 12.975 7.080 3.688 1.00 0.28 H new ATOM 0 HA CYS A 32 14.239 9.680 2.972 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.546 7.526 1.475 1.00 0.28 H new ATOM 0 HB3 CYS A 32 12.006 8.361 1.433 1.00 0.28 H new ATOM 488 N GLY A 33 12.424 11.215 3.595 1.00 0.34 N ATOM 489 CA GLY A 33 11.369 12.166 4.051 1.00 0.36 C ATOM 490 C GLY A 33 10.213 12.266 3.039 1.00 0.35 C ATOM 491 O GLY A 33 9.081 12.027 3.400 1.00 0.33 O ATOM 0 H GLY A 33 13.332 11.643 3.414 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.980 11.842 5.016 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.808 13.152 4.199 1.00 0.36 H new ATOM 495 N PRO A 34 10.511 12.638 1.809 1.00 0.37 N ATOM 496 CA PRO A 34 9.467 12.794 0.774 1.00 0.38 C ATOM 497 C PRO A 34 8.524 11.584 0.753 1.00 0.35 C ATOM 498 O PRO A 34 7.352 11.708 0.459 1.00 0.36 O ATOM 499 CB PRO A 34 10.254 12.935 -0.552 1.00 0.42 C ATOM 500 CG PRO A 34 11.728 13.245 -0.165 1.00 0.44 C ATOM 501 CD PRO A 34 11.884 12.928 1.343 1.00 0.40 C ATOM 0 HA PRO A 34 8.824 13.655 0.956 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.192 12.018 -1.138 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.839 13.734 -1.166 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.416 12.642 -0.758 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.966 14.290 -0.365 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.545 12.076 1.502 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.316 13.771 1.882 1.00 0.40 H new ATOM 509 N ALA A 35 9.018 10.423 1.064 1.00 0.33 N ATOM 510 CA ALA A 35 8.134 9.226 1.061 1.00 0.32 C ATOM 511 C ALA A 35 7.293 9.221 2.342 1.00 0.39 C ATOM 512 O ALA A 35 6.080 9.282 2.305 1.00 0.81 O ATOM 513 CB ALA A 35 8.996 7.964 1.000 1.00 0.36 C ATOM 0 H ALA A 35 9.990 10.249 1.319 1.00 0.33 H new ATOM 0 HA ALA A 35 7.473 9.252 0.195 1.00 0.32 H new ATOM 0 HB1 ALA A 35 8.353 7.084 0.998 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.596 7.977 0.090 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.654 7.930 1.869 1.00 0.36 H new ATOM 519 N LYS A 36 7.938 9.155 3.471 1.00 0.30 N ATOM 520 CA LYS A 36 7.203 9.150 4.769 1.00 0.28 C ATOM 521 C LYS A 36 6.361 10.426 4.903 1.00 0.24 C ATOM 522 O LYS A 36 5.435 10.490 5.688 1.00 0.25 O ATOM 523 CB LYS A 36 8.236 9.065 5.908 1.00 0.35 C ATOM 524 CG LYS A 36 7.630 9.569 7.228 1.00 0.38 C ATOM 525 CD LYS A 36 8.423 9.015 8.414 1.00 0.49 C ATOM 526 CE LYS A 36 9.874 9.485 8.318 1.00 1.22 C ATOM 527 NZ LYS A 36 10.552 9.275 9.628 1.00 1.92 N ATOM 0 H LYS A 36 8.953 9.104 3.553 1.00 0.30 H new ATOM 0 HA LYS A 36 6.529 8.295 4.816 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.571 8.035 6.026 1.00 0.35 H new ATOM 0 HB3 LYS A 36 9.114 9.659 5.655 1.00 0.35 H new ATOM 0 HG2 LYS A 36 7.641 10.659 7.250 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.587 9.259 7.301 1.00 0.38 H new ATOM 0 HD2 LYS A 36 7.981 9.353 9.351 1.00 0.49 H new ATOM 0 HD3 LYS A 36 8.381 7.926 8.417 1.00 0.49 H new ATOM 0 HE2 LYS A 36 10.395 8.934 7.535 1.00 1.22 H new ATOM 0 HE3 LYS A 36 9.909 10.539 8.043 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 11.539 9.595 9.563 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 10.060 9.819 10.365 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 10.531 8.264 9.872 1.00 1.92 H new ATOM 541 N MET A 37 6.683 11.442 4.163 1.00 0.23 N ATOM 542 CA MET A 37 5.913 12.709 4.269 1.00 0.24 C ATOM 543 C MET A 37 4.435 12.460 3.955 1.00 0.20 C ATOM 544 O MET A 37 3.577 13.234 4.330 1.00 0.20 O ATOM 545 CB MET A 37 6.491 13.736 3.287 1.00 0.29 C ATOM 546 CG MET A 37 5.861 15.113 3.527 1.00 1.31 C ATOM 547 SD MET A 37 6.354 15.739 5.153 1.00 2.12 S ATOM 548 CE MET A 37 5.853 17.460 4.894 1.00 3.13 C ATOM 0 H MET A 37 7.447 11.452 3.487 1.00 0.23 H new ATOM 0 HA MET A 37 5.991 13.092 5.286 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.573 13.797 3.408 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.303 13.416 2.262 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.177 15.808 2.749 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.775 15.041 3.469 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.070 18.041 5.790 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.403 17.876 4.050 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.784 17.500 4.686 1.00 3.13 H new ATOM 558 N ILE A 38 4.128 11.394 3.262 1.00 0.18 N ATOM 559 CA ILE A 38 2.699 11.108 2.907 1.00 0.15 C ATOM 560 C ILE A 38 2.089 10.067 3.847 1.00 0.16 C ATOM 561 O ILE A 38 0.994 9.589 3.626 1.00 0.16 O ATOM 562 CB ILE A 38 2.642 10.605 1.461 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.071 11.762 0.544 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.209 10.148 1.110 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.374 11.262 -0.887 1.00 0.28 C ATOM 0 H ILE A 38 4.803 10.707 2.925 1.00 0.18 H new ATOM 0 HA ILE A 38 2.120 12.025 3.011 1.00 0.15 H new ATOM 0 HB ILE A 38 3.307 9.751 1.330 1.00 0.16 H new ATOM 0 HG12 ILE A 38 2.282 12.513 0.510 1.00 0.17 H new ATOM 0 HG13 ILE A 38 3.955 12.247 0.957 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.182 9.793 0.080 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.910 9.342 1.780 1.00 0.17 H new ATOM 0 HG23 ILE A 38 0.522 10.987 1.223 1.00 0.17 H new ATOM 0 HD11 ILE A 38 3.674 12.104 -1.511 1.00 0.28 H new ATOM 0 HD12 ILE A 38 4.180 10.529 -0.853 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.481 10.800 -1.308 1.00 0.28 H new ATOM 577 N LYS A 39 2.754 9.708 4.911 1.00 0.19 N ATOM 578 CA LYS A 39 2.128 8.700 5.806 1.00 0.22 C ATOM 579 C LYS A 39 0.873 9.239 6.510 1.00 0.20 C ATOM 580 O LYS A 39 -0.017 8.469 6.779 1.00 0.21 O ATOM 581 CB LYS A 39 3.119 8.099 6.844 1.00 0.31 C ATOM 582 CG LYS A 39 3.370 9.027 8.065 1.00 0.34 C ATOM 583 CD LYS A 39 3.801 8.207 9.299 1.00 0.45 C ATOM 584 CE LYS A 39 4.840 7.137 8.937 1.00 1.16 C ATOM 585 NZ LYS A 39 4.154 5.860 8.591 1.00 1.62 N ATOM 0 H LYS A 39 3.671 10.055 5.191 1.00 0.19 H new ATOM 0 HA LYS A 39 1.823 7.888 5.145 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.730 7.144 7.197 1.00 0.31 H new ATOM 0 HB3 LYS A 39 4.069 7.893 6.351 1.00 0.31 H new ATOM 0 HG2 LYS A 39 4.142 9.756 7.820 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.463 9.587 8.294 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.216 8.876 10.053 1.00 0.45 H new ATOM 0 HD3 LYS A 39 2.927 7.730 9.742 1.00 0.45 H new ATOM 0 HE2 LYS A 39 5.444 7.475 8.095 1.00 1.16 H new ATOM 0 HE3 LYS A 39 5.520 6.979 9.775 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 4.607 5.074 9.099 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.153 5.918 8.866 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 4.223 5.695 7.566 1.00 1.62 H new ATOM 599 N PRO A 40 0.807 10.512 6.851 1.00 0.20 N ATOM 600 CA PRO A 40 -0.367 10.992 7.586 1.00 0.21 C ATOM 601 C PRO A 40 -1.633 10.820 6.741 1.00 0.17 C ATOM 602 O PRO A 40 -2.735 10.968 7.223 1.00 0.20 O ATOM 603 CB PRO A 40 -0.070 12.471 7.907 1.00 0.24 C ATOM 604 CG PRO A 40 1.366 12.776 7.390 1.00 0.25 C ATOM 605 CD PRO A 40 1.811 11.561 6.545 1.00 0.21 C ATOM 0 HA PRO A 40 -0.548 10.429 8.502 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.799 13.123 7.425 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.139 12.653 8.979 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.375 13.686 6.790 1.00 0.25 H new ATOM 0 HG3 PRO A 40 2.050 12.937 8.224 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.825 11.800 5.482 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.817 11.238 6.812 1.00 0.21 H new ATOM 613 N PHE A 41 -1.477 10.503 5.484 1.00 0.14 N ATOM 614 CA PHE A 41 -2.661 10.310 4.596 1.00 0.14 C ATOM 615 C PHE A 41 -2.887 8.817 4.377 1.00 0.11 C ATOM 616 O PHE A 41 -3.841 8.249 4.861 1.00 0.13 O ATOM 617 CB PHE A 41 -2.390 10.990 3.255 1.00 0.15 C ATOM 618 CG PHE A 41 -2.637 12.470 3.394 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.723 13.272 4.102 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.785 13.040 2.822 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.961 14.655 4.236 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.027 14.419 2.953 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.114 15.229 3.662 1.00 0.27 C ATOM 0 H PHE A 41 -0.573 10.368 5.030 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.548 10.746 5.056 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.362 10.808 2.942 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.037 10.572 2.484 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.841 12.829 4.542 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.483 12.419 2.281 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.261 15.274 4.778 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -4.910 14.858 2.512 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.298 16.288 3.765 1.00 0.27 H new ATOM 633 N PHE A 42 -2.016 8.182 3.645 1.00 0.10 N ATOM 634 CA PHE A 42 -2.180 6.725 3.377 1.00 0.11 C ATOM 635 C PHE A 42 -2.571 5.980 4.662 1.00 0.11 C ATOM 636 O PHE A 42 -3.526 5.228 4.681 1.00 0.12 O ATOM 637 CB PHE A 42 -0.859 6.178 2.835 1.00 0.13 C ATOM 638 CG PHE A 42 -0.994 4.703 2.559 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.706 4.271 1.429 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.399 3.760 3.422 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.827 2.900 1.158 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.522 2.384 3.151 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.237 1.953 2.018 1.00 0.10 C ATOM 0 H PHE A 42 -1.194 8.610 3.219 1.00 0.10 H new ATOM 0 HA PHE A 42 -2.975 6.576 2.646 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.584 6.705 1.921 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.060 6.351 3.556 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.161 4.994 0.768 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.151 4.093 4.290 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.374 2.569 0.287 1.00 0.11 H new ATOM 0 HE2 PHE A 42 -0.068 1.660 3.812 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.333 0.898 1.808 1.00 0.10 H new ATOM 653 N HIS A 43 -1.853 6.177 5.735 1.00 0.14 N ATOM 654 CA HIS A 43 -2.203 5.471 7.006 1.00 0.16 C ATOM 655 C HIS A 43 -3.528 6.019 7.560 1.00 0.16 C ATOM 656 O HIS A 43 -4.316 5.291 8.133 1.00 0.18 O ATOM 657 CB HIS A 43 -1.053 5.647 8.029 1.00 0.21 C ATOM 658 CG HIS A 43 -1.566 5.558 9.444 1.00 0.27 C ATOM 659 ND1 HIS A 43 -1.500 4.392 10.190 1.00 0.35 N ATOM 660 CD2 HIS A 43 -2.176 6.487 10.249 1.00 0.31 C ATOM 661 CE1 HIS A 43 -2.061 4.647 11.386 1.00 0.41 C ATOM 662 NE2 HIS A 43 -2.490 5.909 11.475 1.00 0.39 N ATOM 0 H HIS A 43 -1.042 6.793 5.789 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.332 4.406 6.813 1.00 0.16 H new ATOM 0 HB2 HIS A 43 -0.296 4.880 7.865 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.569 6.611 7.874 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -2.381 7.511 9.973 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -2.153 3.919 12.179 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.949 6.353 12.270 1.00 0.39 H new ATOM 670 N SER A 44 -3.780 7.288 7.409 1.00 0.20 N ATOM 671 CA SER A 44 -5.049 7.859 7.944 1.00 0.25 C ATOM 672 C SER A 44 -6.248 7.172 7.284 1.00 0.20 C ATOM 673 O SER A 44 -7.227 6.862 7.933 1.00 0.21 O ATOM 674 CB SER A 44 -5.099 9.360 7.663 1.00 0.34 C ATOM 675 OG SER A 44 -6.433 9.822 7.820 1.00 0.97 O ATOM 0 H SER A 44 -3.166 7.954 6.940 1.00 0.20 H new ATOM 0 HA SER A 44 -5.088 7.692 9.020 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.435 9.892 8.345 1.00 0.34 H new ATOM 0 HB3 SER A 44 -4.748 9.564 6.652 1.00 0.34 H new ATOM 0 HG SER A 44 -6.469 10.785 7.642 1.00 0.97 H new ATOM 681 N LEU A 45 -6.186 6.933 6.003 1.00 0.18 N ATOM 682 CA LEU A 45 -7.333 6.268 5.319 1.00 0.18 C ATOM 683 C LEU A 45 -7.699 4.984 6.070 1.00 0.16 C ATOM 684 O LEU A 45 -8.774 4.445 5.905 1.00 0.23 O ATOM 685 CB LEU A 45 -6.947 5.920 3.876 1.00 0.19 C ATOM 686 CG LEU A 45 -6.514 7.184 3.116 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.083 6.796 1.700 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.685 8.179 3.042 1.00 0.50 C ATOM 0 H LEU A 45 -5.396 7.168 5.402 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.187 6.945 5.310 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.136 5.192 3.876 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.792 5.455 3.369 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.681 7.653 3.640 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -5.775 7.689 1.156 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.248 6.097 1.752 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -6.918 6.326 1.181 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.370 9.072 2.502 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.523 7.716 2.521 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.993 8.455 4.051 1.00 0.50 H new ATOM 700 N SER A 46 -6.817 4.492 6.894 1.00 0.20 N ATOM 701 CA SER A 46 -7.123 3.247 7.652 1.00 0.25 C ATOM 702 C SER A 46 -8.396 3.448 8.476 1.00 0.17 C ATOM 703 O SER A 46 -9.170 2.533 8.671 1.00 0.15 O ATOM 704 CB SER A 46 -5.959 2.919 8.588 1.00 0.36 C ATOM 705 OG SER A 46 -4.751 2.882 7.840 1.00 0.51 O ATOM 0 H SER A 46 -5.899 4.897 7.075 1.00 0.20 H new ATOM 0 HA SER A 46 -7.270 2.425 6.951 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.889 3.668 9.377 1.00 0.36 H new ATOM 0 HB3 SER A 46 -6.128 1.959 9.075 1.00 0.36 H new ATOM 0 HG SER A 46 -4.335 3.769 7.847 1.00 0.51 H new ATOM 711 N GLU A 47 -8.616 4.639 8.972 1.00 0.21 N ATOM 712 CA GLU A 47 -9.836 4.899 9.796 1.00 0.21 C ATOM 713 C GLU A 47 -10.956 5.456 8.915 1.00 0.18 C ATOM 714 O GLU A 47 -12.111 5.450 9.291 1.00 0.18 O ATOM 715 CB GLU A 47 -9.499 5.916 10.889 1.00 0.32 C ATOM 716 CG GLU A 47 -8.160 5.551 11.530 1.00 0.39 C ATOM 717 CD GLU A 47 -7.903 6.463 12.732 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.485 6.215 13.775 1.00 1.98 O ATOM 719 OE2 GLU A 47 -7.126 7.393 12.589 1.00 2.00 O ATOM 0 H GLU A 47 -8.003 5.444 8.842 1.00 0.21 H new ATOM 0 HA GLU A 47 -10.169 3.964 10.248 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.450 6.919 10.465 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -10.285 5.928 11.644 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -8.169 4.508 11.847 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -7.356 5.656 10.802 1.00 0.39 H new ATOM 726 N LYS A 48 -10.630 5.943 7.748 1.00 0.18 N ATOM 727 CA LYS A 48 -11.683 6.501 6.852 1.00 0.17 C ATOM 728 C LYS A 48 -12.211 5.389 5.944 1.00 0.15 C ATOM 729 O LYS A 48 -13.301 5.472 5.415 1.00 0.18 O ATOM 730 CB LYS A 48 -11.078 7.624 5.998 1.00 0.21 C ATOM 731 CG LYS A 48 -12.193 8.523 5.454 1.00 0.26 C ATOM 732 CD LYS A 48 -11.574 9.711 4.713 1.00 1.09 C ATOM 733 CE LYS A 48 -12.666 10.728 4.372 1.00 1.51 C ATOM 734 NZ LYS A 48 -12.043 11.948 3.786 1.00 2.16 N ATOM 0 H LYS A 48 -9.681 5.978 7.377 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.503 6.902 7.448 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.383 8.213 6.596 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.507 7.198 5.173 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.836 7.956 4.781 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.821 8.878 6.272 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.807 10.179 5.331 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -11.084 9.369 3.801 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.375 10.294 3.667 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.228 10.989 5.269 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.785 12.639 3.554 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.383 12.365 4.473 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.526 11.692 2.921 1.00 2.16 H new ATOM 748 N TYR A 49 -11.442 4.343 5.766 1.00 0.13 N ATOM 749 CA TYR A 49 -11.885 3.208 4.897 1.00 0.13 C ATOM 750 C TYR A 49 -11.579 1.886 5.604 1.00 0.11 C ATOM 751 O TYR A 49 -10.730 1.127 5.182 1.00 0.11 O ATOM 752 CB TYR A 49 -11.136 3.266 3.560 1.00 0.15 C ATOM 753 CG TYR A 49 -11.789 4.292 2.663 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.038 4.012 2.078 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.155 5.526 2.418 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.655 4.963 1.247 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.772 6.480 1.588 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.024 6.200 1.002 1.00 0.21 C ATOM 759 OH TYR A 49 -13.629 7.135 0.187 1.00 0.24 O ATOM 0 H TYR A 49 -10.521 4.226 6.188 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.956 3.282 4.711 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.091 3.526 3.727 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.149 2.287 3.081 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.523 3.066 2.268 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.196 5.740 2.867 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.612 4.746 0.796 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.287 7.426 1.400 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.356 8.035 0.463 1.00 0.24 H new ATOM 769 N SER A 50 -12.271 1.604 6.673 1.00 0.12 N ATOM 770 CA SER A 50 -12.027 0.331 7.405 1.00 0.13 C ATOM 771 C SER A 50 -12.459 -0.842 6.526 1.00 0.13 C ATOM 772 O SER A 50 -12.292 -1.993 6.879 1.00 0.14 O ATOM 773 CB SER A 50 -12.837 0.327 8.701 1.00 0.16 C ATOM 774 OG SER A 50 -14.218 0.469 8.392 1.00 0.17 O ATOM 0 H SER A 50 -12.996 2.201 7.071 1.00 0.12 H new ATOM 0 HA SER A 50 -10.967 0.239 7.643 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.668 -0.602 9.246 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.512 1.141 9.349 1.00 0.16 H new ATOM 0 HG SER A 50 -14.741 0.465 9.221 1.00 0.17 H new ATOM 780 N ASN A 51 -13.019 -0.555 5.380 1.00 0.13 N ATOM 781 CA ASN A 51 -13.473 -1.640 4.464 1.00 0.15 C ATOM 782 C ASN A 51 -12.375 -1.936 3.441 1.00 0.13 C ATOM 783 O ASN A 51 -12.514 -2.805 2.603 1.00 0.14 O ATOM 784 CB ASN A 51 -14.738 -1.184 3.734 1.00 0.17 C ATOM 785 CG ASN A 51 -15.271 -2.326 2.867 1.00 0.20 C ATOM 786 OD1 ASN A 51 -16.144 -3.062 3.282 1.00 0.34 O ATOM 787 ND2 ASN A 51 -14.778 -2.507 1.673 1.00 0.32 N ATOM 0 H ASN A 51 -13.182 0.392 5.038 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.685 -2.541 5.039 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.496 -0.878 4.455 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.519 -0.315 3.114 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -15.125 -3.267 1.088 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -14.045 -1.889 1.325 1.00 0.32 H new ATOM 794 N VAL A 52 -11.279 -1.216 3.508 1.00 0.11 N ATOM 795 CA VAL A 52 -10.152 -1.441 2.547 1.00 0.10 C ATOM 796 C VAL A 52 -8.910 -1.886 3.316 1.00 0.10 C ATOM 797 O VAL A 52 -8.696 -1.502 4.449 1.00 0.11 O ATOM 798 CB VAL A 52 -9.843 -0.138 1.816 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.609 -0.324 0.926 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.048 0.256 0.958 1.00 0.12 C ATOM 0 H VAL A 52 -11.117 -0.477 4.192 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.436 -2.210 1.829 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.641 0.649 2.542 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.392 0.609 0.406 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.755 -0.603 1.542 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.802 -1.110 0.196 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.832 1.187 0.433 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.251 -0.531 0.232 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.920 0.393 1.597 1.00 0.12 H new ATOM 810 N ILE A 53 -8.090 -2.701 2.709 1.00 0.09 N ATOM 811 CA ILE A 53 -6.855 -3.188 3.395 1.00 0.09 C ATOM 812 C ILE A 53 -5.659 -2.345 2.931 1.00 0.09 C ATOM 813 O ILE A 53 -5.473 -2.120 1.752 1.00 0.14 O ATOM 814 CB ILE A 53 -6.623 -4.653 3.010 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.962 -5.430 3.024 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.594 -5.299 3.954 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.774 -5.191 4.313 1.00 0.17 C ATOM 0 H ILE A 53 -8.222 -3.053 1.761 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.966 -3.102 4.476 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.220 -4.693 1.998 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.559 -5.132 2.162 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.760 -6.496 2.919 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.440 -6.339 3.667 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.649 -4.760 3.886 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.963 -5.256 4.979 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.703 -5.760 4.269 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.191 -5.514 5.175 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -9.003 -4.129 4.407 1.00 0.17 H new ATOM 829 N PHE A 54 -4.851 -1.880 3.850 1.00 0.08 N ATOM 830 CA PHE A 54 -3.658 -1.048 3.482 1.00 0.08 C ATOM 831 C PHE A 54 -2.381 -1.785 3.887 1.00 0.08 C ATOM 832 O PHE A 54 -2.265 -2.280 4.987 1.00 0.11 O ATOM 833 CB PHE A 54 -3.727 0.285 4.233 1.00 0.08 C ATOM 834 CG PHE A 54 -4.905 1.083 3.726 1.00 0.08 C ATOM 835 CD1 PHE A 54 -4.868 1.634 2.434 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.036 1.274 4.542 1.00 0.09 C ATOM 837 CE1 PHE A 54 -5.962 2.377 1.952 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.133 2.016 4.062 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.096 2.567 2.767 1.00 0.09 C ATOM 0 H PHE A 54 -4.966 -2.041 4.851 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.653 -0.869 2.407 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.827 0.108 5.304 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.804 0.846 4.088 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -3.999 1.487 1.810 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -6.063 0.852 5.536 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -5.932 2.801 0.959 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.002 2.162 4.687 1.00 0.09 H new ATOM 0 HZ PHE A 54 -7.937 3.135 2.398 1.00 0.09 H new ATOM 849 N LEU A 55 -1.420 -1.861 3.002 1.00 0.08 N ATOM 850 CA LEU A 55 -0.131 -2.561 3.319 1.00 0.09 C ATOM 851 C LEU A 55 1.006 -1.535 3.296 1.00 0.09 C ATOM 852 O LEU A 55 0.825 -0.397 2.910 1.00 0.10 O ATOM 853 CB LEU A 55 0.147 -3.643 2.262 1.00 0.10 C ATOM 854 CG LEU A 55 -0.624 -4.934 2.577 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.117 -4.637 2.786 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.446 -5.908 1.406 1.00 0.12 C ATOM 0 H LEU A 55 -1.471 -1.465 2.063 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.200 -3.027 4.302 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.140 -3.276 1.277 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.216 -3.854 2.225 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.234 -5.373 3.495 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.645 -5.564 3.008 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.237 -3.943 3.618 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.530 -4.192 1.880 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.988 -6.830 1.614 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.836 -5.456 0.494 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.613 -6.131 1.276 1.00 0.12 H new ATOM 868 N GLU A 56 2.182 -1.939 3.691 1.00 0.09 N ATOM 869 CA GLU A 56 3.351 -1.009 3.684 1.00 0.09 C ATOM 870 C GLU A 56 4.592 -1.811 3.298 1.00 0.09 C ATOM 871 O GLU A 56 4.698 -2.981 3.609 1.00 0.10 O ATOM 872 CB GLU A 56 3.536 -0.399 5.077 1.00 0.09 C ATOM 873 CG GLU A 56 4.442 0.832 4.979 1.00 0.11 C ATOM 874 CD GLU A 56 4.756 1.350 6.383 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.747 0.551 7.304 1.00 1.31 O ATOM 876 OE2 GLU A 56 5.001 2.538 6.512 1.00 1.24 O ATOM 0 H GLU A 56 2.387 -2.882 4.022 1.00 0.09 H new ATOM 0 HA GLU A 56 3.188 -0.201 2.971 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.569 -0.120 5.495 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.975 -1.134 5.752 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.366 0.576 4.460 1.00 0.11 H new ATOM 0 HG3 GLU A 56 3.953 1.611 4.394 1.00 0.11 H new ATOM 883 N VAL A 57 5.526 -1.210 2.607 1.00 0.08 N ATOM 884 CA VAL A 57 6.747 -1.966 2.188 1.00 0.08 C ATOM 885 C VAL A 57 7.988 -1.074 2.261 1.00 0.09 C ATOM 886 O VAL A 57 7.959 0.089 1.903 1.00 0.14 O ATOM 887 CB VAL A 57 6.563 -2.447 0.747 1.00 0.09 C ATOM 888 CG1 VAL A 57 7.816 -3.200 0.301 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.355 -3.381 0.668 1.00 0.09 C ATOM 0 H VAL A 57 5.498 -0.233 2.315 1.00 0.08 H new ATOM 0 HA VAL A 57 6.884 -2.813 2.860 1.00 0.08 H new ATOM 0 HB VAL A 57 6.400 -1.588 0.096 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.688 -3.544 -0.725 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.679 -2.536 0.356 1.00 0.10 H new ATOM 0 HG13 VAL A 57 7.977 -4.058 0.954 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.226 -3.722 -0.359 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.517 -4.241 1.319 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.460 -2.847 0.988 1.00 0.09 H new ATOM 899 N ASP A 58 9.088 -1.630 2.709 1.00 0.09 N ATOM 900 CA ASP A 58 10.361 -0.854 2.799 1.00 0.09 C ATOM 901 C ASP A 58 11.211 -1.178 1.563 1.00 0.10 C ATOM 902 O ASP A 58 11.861 -2.202 1.494 1.00 0.11 O ATOM 903 CB ASP A 58 11.112 -1.261 4.073 1.00 0.11 C ATOM 904 CG ASP A 58 12.148 -0.192 4.429 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.743 0.888 4.824 1.00 1.06 O ATOM 906 OD2 ASP A 58 13.328 -0.472 4.302 1.00 1.08 O ATOM 0 H ASP A 58 9.157 -2.599 3.019 1.00 0.09 H new ATOM 0 HA ASP A 58 10.156 0.216 2.837 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.409 -1.387 4.896 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.604 -2.222 3.924 1.00 0.11 H new ATOM 911 N VAL A 59 11.186 -0.322 0.580 1.00 0.12 N ATOM 912 CA VAL A 59 11.962 -0.576 -0.673 1.00 0.15 C ATOM 913 C VAL A 59 13.452 -0.779 -0.375 1.00 0.18 C ATOM 914 O VAL A 59 14.233 -1.019 -1.274 1.00 0.27 O ATOM 915 CB VAL A 59 11.804 0.621 -1.609 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.384 0.643 -2.170 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.062 1.913 -0.833 1.00 0.22 C ATOM 0 H VAL A 59 10.658 0.551 0.588 1.00 0.12 H new ATOM 0 HA VAL A 59 11.575 -1.484 -1.137 1.00 0.15 H new ATOM 0 HB VAL A 59 12.519 0.539 -2.427 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.270 1.497 -2.838 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.197 -0.278 -2.723 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.670 0.726 -1.350 1.00 0.19 H new ATOM 0 HG21 VAL A 59 11.949 2.767 -1.501 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.346 1.995 -0.015 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.074 1.899 -0.429 1.00 0.22 H new ATOM 927 N ASP A 60 13.858 -0.670 0.866 1.00 0.16 N ATOM 928 CA ASP A 60 15.309 -0.838 1.212 1.00 0.18 C ATOM 929 C ASP A 60 15.518 -2.109 2.040 1.00 0.17 C ATOM 930 O ASP A 60 16.452 -2.854 1.817 1.00 0.18 O ATOM 931 CB ASP A 60 15.769 0.370 2.025 1.00 0.21 C ATOM 932 CG ASP A 60 15.572 1.639 1.197 1.00 0.24 C ATOM 933 OD1 ASP A 60 16.433 1.932 0.385 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.562 2.293 1.385 1.00 1.08 O ATOM 0 H ASP A 60 13.247 -0.471 1.658 1.00 0.16 H new ATOM 0 HA ASP A 60 15.887 -0.918 0.291 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.202 0.436 2.953 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.818 0.260 2.300 1.00 0.21 H new ATOM 939 N ASP A 61 14.670 -2.362 2.999 1.00 0.17 N ATOM 940 CA ASP A 61 14.836 -3.584 3.844 1.00 0.17 C ATOM 941 C ASP A 61 14.005 -4.728 3.247 1.00 0.16 C ATOM 942 O ASP A 61 14.133 -5.868 3.648 1.00 0.18 O ATOM 943 CB ASP A 61 14.378 -3.268 5.277 1.00 0.19 C ATOM 944 CG ASP A 61 14.134 -4.563 6.060 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.091 -5.098 6.595 1.00 1.07 O ATOM 946 OD2 ASP A 61 12.994 -4.997 6.108 1.00 1.12 O ATOM 0 H ASP A 61 13.869 -1.777 3.236 1.00 0.17 H new ATOM 0 HA ASP A 61 15.882 -3.890 3.868 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.134 -2.667 5.783 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.464 -2.674 5.251 1.00 0.19 H new ATOM 951 N ALA A 62 13.168 -4.431 2.284 1.00 0.16 N ATOM 952 CA ALA A 62 12.329 -5.493 1.635 1.00 0.16 C ATOM 953 C ALA A 62 12.585 -5.465 0.128 1.00 0.16 C ATOM 954 O ALA A 62 11.671 -5.516 -0.672 1.00 0.15 O ATOM 955 CB ALA A 62 10.847 -5.220 1.906 1.00 0.17 C ATOM 0 H ALA A 62 13.027 -3.491 1.915 1.00 0.16 H new ATOM 0 HA ALA A 62 12.590 -6.470 2.042 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.242 -5.994 1.433 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.667 -5.225 2.981 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.576 -4.247 1.497 1.00 0.17 H new ATOM 961 N GLN A 63 13.828 -5.377 -0.262 1.00 0.20 N ATOM 962 CA GLN A 63 14.162 -5.336 -1.712 1.00 0.22 C ATOM 963 C GLN A 63 13.569 -6.558 -2.417 1.00 0.20 C ATOM 964 O GLN A 63 13.486 -6.605 -3.629 1.00 0.20 O ATOM 965 CB GLN A 63 15.683 -5.339 -1.883 1.00 0.29 C ATOM 966 CG GLN A 63 16.294 -4.217 -1.039 1.00 0.90 C ATOM 967 CD GLN A 63 17.808 -4.185 -1.252 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.437 -5.216 -1.380 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.425 -3.036 -1.295 1.00 2.22 N ATOM 0 H GLN A 63 14.630 -5.332 0.366 1.00 0.20 H new ATOM 0 HA GLN A 63 13.744 -4.430 -2.151 1.00 0.22 H new ATOM 0 HB2 GLN A 63 16.092 -6.302 -1.578 1.00 0.29 H new ATOM 0 HB3 GLN A 63 15.942 -5.201 -2.933 1.00 0.29 H new ATOM 0 HG2 GLN A 63 15.857 -3.258 -1.318 1.00 0.90 H new ATOM 0 HG3 GLN A 63 16.068 -4.376 0.015 1.00 0.90 H new ATOM 0 HE21 GLN A 63 17.898 -2.170 -1.188 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.435 -3.004 -1.436 1.00 2.22 H new ATOM 978 N ASP A 64 13.155 -7.548 -1.674 1.00 0.19 N ATOM 979 CA ASP A 64 12.571 -8.759 -2.313 1.00 0.20 C ATOM 980 C ASP A 64 11.206 -8.406 -2.907 1.00 0.17 C ATOM 981 O ASP A 64 10.882 -8.792 -4.013 1.00 0.19 O ATOM 982 CB ASP A 64 12.407 -9.861 -1.261 1.00 0.22 C ATOM 983 CG ASP A 64 11.919 -9.249 0.052 1.00 0.23 C ATOM 984 OD1 ASP A 64 12.698 -8.557 0.687 1.00 1.11 O ATOM 985 OD2 ASP A 64 10.773 -9.482 0.401 1.00 1.09 O ATOM 0 H ASP A 64 13.196 -7.570 -0.655 1.00 0.19 H new ATOM 0 HA ASP A 64 13.231 -9.113 -3.105 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.696 -10.609 -1.611 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.357 -10.372 -1.105 1.00 0.22 H new ATOM 990 N VAL A 65 10.408 -7.670 -2.186 1.00 0.15 N ATOM 991 CA VAL A 65 9.073 -7.288 -2.715 1.00 0.16 C ATOM 992 C VAL A 65 9.260 -6.226 -3.800 1.00 0.16 C ATOM 993 O VAL A 65 8.675 -6.298 -4.862 1.00 0.19 O ATOM 994 CB VAL A 65 8.216 -6.727 -1.580 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.755 -6.665 -2.030 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.336 -7.640 -0.353 1.00 0.18 C ATOM 0 H VAL A 65 10.624 -7.317 -1.254 1.00 0.15 H new ATOM 0 HA VAL A 65 8.574 -8.160 -3.137 1.00 0.16 H new ATOM 0 HB VAL A 65 8.560 -5.725 -1.323 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.142 -6.265 -1.222 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.670 -6.019 -2.904 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.410 -7.667 -2.285 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.726 -7.242 0.458 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.990 -8.641 -0.609 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.377 -7.686 -0.034 1.00 0.18 H new ATOM 1006 N ALA A 66 10.088 -5.248 -3.545 1.00 0.16 N ATOM 1007 CA ALA A 66 10.334 -4.191 -4.565 1.00 0.18 C ATOM 1008 C ALA A 66 10.974 -4.831 -5.797 1.00 0.19 C ATOM 1009 O ALA A 66 10.741 -4.421 -6.918 1.00 0.20 O ATOM 1010 CB ALA A 66 11.280 -3.136 -3.988 1.00 0.22 C ATOM 0 H ALA A 66 10.605 -5.137 -2.673 1.00 0.16 H new ATOM 0 HA ALA A 66 9.392 -3.717 -4.842 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.460 -2.362 -4.734 1.00 0.22 H new ATOM 0 HB2 ALA A 66 10.829 -2.688 -3.102 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.226 -3.605 -3.716 1.00 0.22 H new ATOM 1016 N SER A 67 11.779 -5.841 -5.598 1.00 0.21 N ATOM 1017 CA SER A 67 12.434 -6.513 -6.753 1.00 0.26 C ATOM 1018 C SER A 67 11.365 -7.176 -7.625 1.00 0.26 C ATOM 1019 O SER A 67 11.333 -6.998 -8.827 1.00 0.29 O ATOM 1020 CB SER A 67 13.407 -7.575 -6.242 1.00 0.31 C ATOM 1021 OG SER A 67 14.579 -6.938 -5.743 1.00 1.29 O ATOM 0 H SER A 67 12.010 -6.229 -4.683 1.00 0.21 H new ATOM 0 HA SER A 67 12.981 -5.776 -7.342 1.00 0.26 H new ATOM 0 HB2 SER A 67 12.938 -8.166 -5.456 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.667 -8.263 -7.046 1.00 0.31 H new ATOM 0 HG SER A 67 14.359 -6.441 -4.928 1.00 1.29 H new ATOM 1027 N GLU A 68 10.489 -7.937 -7.029 1.00 0.26 N ATOM 1028 CA GLU A 68 9.420 -8.609 -7.818 1.00 0.30 C ATOM 1029 C GLU A 68 8.522 -7.549 -8.462 1.00 0.31 C ATOM 1030 O GLU A 68 8.052 -7.711 -9.570 1.00 0.36 O ATOM 1031 CB GLU A 68 8.585 -9.495 -6.889 1.00 0.31 C ATOM 1032 CG GLU A 68 7.764 -10.482 -7.722 1.00 0.39 C ATOM 1033 CD GLU A 68 8.678 -11.585 -8.254 1.00 1.43 C ATOM 1034 OE1 GLU A 68 8.978 -12.495 -7.499 1.00 2.19 O ATOM 1035 OE2 GLU A 68 9.065 -11.503 -9.408 1.00 2.20 O ATOM 0 H GLU A 68 10.468 -8.123 -6.026 1.00 0.26 H new ATOM 0 HA GLU A 68 9.870 -9.224 -8.597 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.237 -10.036 -6.203 1.00 0.31 H new ATOM 0 HB3 GLU A 68 7.923 -8.879 -6.280 1.00 0.31 H new ATOM 0 HG2 GLU A 68 6.970 -10.915 -7.114 1.00 0.39 H new ATOM 0 HG3 GLU A 68 7.283 -9.963 -8.551 1.00 0.39 H new ATOM 1042 N ALA A 69 8.279 -6.464 -7.773 1.00 0.29 N ATOM 1043 CA ALA A 69 7.412 -5.390 -8.346 1.00 0.31 C ATOM 1044 C ALA A 69 8.271 -4.427 -9.171 1.00 0.29 C ATOM 1045 O ALA A 69 7.771 -3.514 -9.798 1.00 0.33 O ATOM 1046 CB ALA A 69 6.736 -4.622 -7.210 1.00 0.31 C ATOM 0 H ALA A 69 8.643 -6.275 -6.839 1.00 0.29 H new ATOM 0 HA ALA A 69 6.652 -5.839 -8.985 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.103 -3.838 -7.627 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.125 -5.306 -6.621 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.497 -4.173 -6.571 1.00 0.31 H new ATOM 1052 N GLU A 70 9.558 -4.631 -9.179 1.00 0.27 N ATOM 1053 CA GLU A 70 10.457 -3.738 -9.965 1.00 0.29 C ATOM 1054 C GLU A 70 10.103 -2.268 -9.709 1.00 0.25 C ATOM 1055 O GLU A 70 9.871 -1.507 -10.627 1.00 0.26 O ATOM 1056 CB GLU A 70 10.303 -4.050 -11.456 1.00 0.38 C ATOM 1057 CG GLU A 70 10.938 -5.410 -11.760 1.00 1.18 C ATOM 1058 CD GLU A 70 10.578 -5.836 -13.183 1.00 1.61 C ATOM 1059 OE1 GLU A 70 9.470 -6.311 -13.375 1.00 2.06 O ATOM 1060 OE2 GLU A 70 11.415 -5.684 -14.056 1.00 2.34 O ATOM 0 H GLU A 70 10.029 -5.381 -8.673 1.00 0.27 H new ATOM 0 HA GLU A 70 11.488 -3.910 -9.656 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.248 -4.060 -11.730 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.780 -3.272 -12.053 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.021 -5.350 -11.650 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.586 -6.155 -11.046 1.00 1.18 H new ATOM 1067 N VAL A 71 10.073 -1.860 -8.469 1.00 0.22 N ATOM 1068 CA VAL A 71 9.749 -0.437 -8.156 1.00 0.19 C ATOM 1069 C VAL A 71 10.991 0.425 -8.393 1.00 0.23 C ATOM 1070 O VAL A 71 12.083 0.067 -7.998 1.00 0.28 O ATOM 1071 CB VAL A 71 9.314 -0.319 -6.696 1.00 0.18 C ATOM 1072 CG1 VAL A 71 8.695 1.056 -6.475 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.271 -1.395 -6.382 1.00 0.19 C ATOM 0 H VAL A 71 10.259 -2.450 -7.658 1.00 0.22 H new ATOM 0 HA VAL A 71 8.938 -0.096 -8.800 1.00 0.19 H new ATOM 0 HB VAL A 71 10.178 -0.451 -6.044 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.381 1.151 -5.436 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.431 1.827 -6.704 1.00 0.19 H new ATOM 0 HG13 VAL A 71 7.830 1.175 -7.128 1.00 0.19 H new ATOM 0 HG21 VAL A 71 7.962 -1.309 -5.340 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.404 -1.262 -7.030 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.703 -2.381 -6.552 1.00 0.19 H new ATOM 1083 N LYS A 72 10.837 1.555 -9.046 1.00 0.24 N ATOM 1084 CA LYS A 72 12.014 2.446 -9.325 1.00 0.29 C ATOM 1085 C LYS A 72 11.691 3.885 -8.908 1.00 0.26 C ATOM 1086 O LYS A 72 12.482 4.785 -9.111 1.00 0.27 O ATOM 1087 CB LYS A 72 12.329 2.412 -10.828 1.00 0.35 C ATOM 1088 CG LYS A 72 13.063 1.104 -11.190 1.00 0.43 C ATOM 1089 CD LYS A 72 14.576 1.268 -10.992 1.00 1.16 C ATOM 1090 CE LYS A 72 15.267 -0.081 -11.206 1.00 1.66 C ATOM 1091 NZ LYS A 72 15.065 -0.525 -12.613 1.00 2.40 N ATOM 0 H LYS A 72 9.945 1.900 -9.399 1.00 0.24 H new ATOM 0 HA LYS A 72 12.875 2.093 -8.757 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.406 2.490 -11.402 1.00 0.35 H new ATOM 0 HB3 LYS A 72 12.945 3.270 -11.097 1.00 0.35 H new ATOM 0 HG2 LYS A 72 12.695 0.288 -10.568 1.00 0.43 H new ATOM 0 HG3 LYS A 72 12.852 0.836 -12.225 1.00 0.43 H new ATOM 0 HD2 LYS A 72 14.968 2.005 -11.693 1.00 1.16 H new ATOM 0 HD3 LYS A 72 14.784 1.640 -9.989 1.00 1.16 H new ATOM 0 HE2 LYS A 72 16.332 0.006 -10.990 1.00 1.66 H new ATOM 0 HE3 LYS A 72 14.862 -0.823 -10.518 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 15.730 -1.294 -12.833 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 14.090 -0.865 -12.733 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 15.234 0.274 -13.257 1.00 2.40 H new ATOM 1105 N ALA A 73 10.546 4.117 -8.322 1.00 0.22 N ATOM 1106 CA ALA A 73 10.194 5.511 -7.891 1.00 0.20 C ATOM 1107 C ALA A 73 9.234 5.440 -6.699 1.00 0.18 C ATOM 1108 O ALA A 73 8.210 4.799 -6.767 1.00 0.16 O ATOM 1109 CB ALA A 73 9.533 6.265 -9.065 1.00 0.21 C ATOM 0 H ALA A 73 9.840 3.409 -8.122 1.00 0.22 H new ATOM 0 HA ALA A 73 11.096 6.046 -7.595 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.278 7.277 -8.750 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.226 6.310 -9.905 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.627 5.741 -9.370 1.00 0.21 H new ATOM 1115 N THR A 74 9.565 6.090 -5.601 1.00 0.18 N ATOM 1116 CA THR A 74 8.673 6.050 -4.391 1.00 0.17 C ATOM 1117 C THR A 74 8.047 7.445 -4.177 1.00 0.17 C ATOM 1118 O THR A 74 8.663 8.436 -4.516 1.00 0.19 O ATOM 1119 CB THR A 74 9.523 5.709 -3.145 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.714 6.479 -3.179 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.904 4.211 -3.093 1.00 0.19 C ATOM 0 H THR A 74 10.413 6.645 -5.492 1.00 0.18 H new ATOM 0 HA THR A 74 7.895 5.301 -4.538 1.00 0.17 H new ATOM 0 HB THR A 74 8.928 5.937 -2.261 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.260 6.272 -2.392 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.500 4.018 -2.201 1.00 0.19 H new ATOM 0 HG22 THR A 74 8.998 3.606 -3.061 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.483 3.952 -3.980 1.00 0.19 H new ATOM 1129 N PRO A 75 6.864 7.509 -3.580 1.00 0.17 N ATOM 1130 CA PRO A 75 6.070 6.334 -3.145 1.00 0.16 C ATOM 1131 C PRO A 75 5.393 5.674 -4.358 1.00 0.14 C ATOM 1132 O PRO A 75 4.932 6.345 -5.260 1.00 0.14 O ATOM 1133 CB PRO A 75 5.006 6.924 -2.186 1.00 0.17 C ATOM 1134 CG PRO A 75 5.039 8.471 -2.358 1.00 0.20 C ATOM 1135 CD PRO A 75 6.251 8.808 -3.256 1.00 0.19 C ATOM 0 HA PRO A 75 6.680 5.567 -2.668 1.00 0.16 H new ATOM 0 HB2 PRO A 75 4.017 6.532 -2.421 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.222 6.647 -1.154 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.114 8.827 -2.812 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.129 8.963 -1.390 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.938 9.332 -4.159 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.956 9.458 -2.738 1.00 0.19 H new ATOM 1143 N THR A 76 5.317 4.362 -4.369 1.00 0.13 N ATOM 1144 CA THR A 76 4.650 3.645 -5.506 1.00 0.12 C ATOM 1145 C THR A 76 3.390 2.987 -4.966 1.00 0.12 C ATOM 1146 O THR A 76 3.457 2.099 -4.141 1.00 0.18 O ATOM 1147 CB THR A 76 5.576 2.554 -6.077 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.911 3.023 -6.068 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.166 2.224 -7.519 1.00 0.13 C ATOM 0 H THR A 76 5.689 3.756 -3.638 1.00 0.13 H new ATOM 0 HA THR A 76 4.418 4.355 -6.300 1.00 0.12 H new ATOM 0 HB THR A 76 5.494 1.656 -5.465 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.995 3.783 -6.681 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.825 1.452 -7.917 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.137 1.865 -7.532 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.245 3.121 -8.134 1.00 0.13 H new ATOM 1157 N PHE A 77 2.242 3.402 -5.415 1.00 0.09 N ATOM 1158 CA PHE A 77 0.991 2.774 -4.909 1.00 0.09 C ATOM 1159 C PHE A 77 0.625 1.616 -5.815 1.00 0.09 C ATOM 1160 O PHE A 77 0.415 1.776 -7.000 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.145 3.792 -4.884 1.00 0.10 C ATOM 1162 CG PHE A 77 0.133 4.796 -3.801 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.110 4.456 -2.459 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.637 6.068 -4.130 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.147 5.391 -1.440 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.896 7.005 -3.115 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.652 6.671 -1.770 1.00 0.12 C ATOM 0 H PHE A 77 2.114 4.143 -6.105 1.00 0.09 H new ATOM 0 HA PHE A 77 1.152 2.415 -3.892 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.227 4.291 -5.850 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.096 3.292 -4.701 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.494 3.478 -2.210 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.825 6.324 -5.162 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.041 5.133 -0.408 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.282 7.981 -3.367 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.850 7.391 -0.990 1.00 0.12 H new ATOM 1177 N GLN A 78 0.557 0.444 -5.253 1.00 0.07 N ATOM 1178 CA GLN A 78 0.213 -0.769 -6.042 1.00 0.07 C ATOM 1179 C GLN A 78 -1.075 -1.346 -5.473 1.00 0.06 C ATOM 1180 O GLN A 78 -1.244 -1.440 -4.273 1.00 0.07 O ATOM 1181 CB GLN A 78 1.356 -1.780 -5.907 1.00 0.08 C ATOM 1182 CG GLN A 78 2.689 -1.086 -6.208 1.00 0.12 C ATOM 1183 CD GLN A 78 3.748 -2.137 -6.552 1.00 0.14 C ATOM 1184 OE1 GLN A 78 4.599 -1.908 -7.388 1.00 0.81 O ATOM 1185 NE2 GLN A 78 3.729 -3.289 -5.937 1.00 1.03 N ATOM 0 H GLN A 78 0.728 0.272 -4.262 1.00 0.07 H new ATOM 0 HA GLN A 78 0.074 -0.531 -7.097 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.370 -2.197 -4.900 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.203 -2.612 -6.595 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.569 -0.390 -7.038 1.00 0.12 H new ATOM 0 HG3 GLN A 78 3.009 -0.501 -5.346 1.00 0.12 H new ATOM 0 HE21 GLN A 78 3.014 -3.481 -5.235 1.00 1.03 H new ATOM 0 HE22 GLN A 78 4.429 -3.997 -6.159 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.000 -1.700 -6.325 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.308 -2.240 -5.848 1.00 0.07 C ATOM 1196 C PHE A 79 -3.390 -3.732 -6.145 1.00 0.07 C ATOM 1197 O PHE A 79 -3.176 -4.170 -7.258 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.445 -1.504 -6.570 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.425 -0.046 -6.160 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.375 0.781 -6.581 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.441 0.475 -5.346 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.337 2.134 -6.193 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.408 1.822 -4.949 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.358 2.655 -5.372 1.00 0.11 C ATOM 0 H PHE A 79 -1.905 -1.638 -7.339 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.397 -2.089 -4.772 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.326 -1.593 -7.650 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.405 -1.953 -6.317 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.591 0.379 -7.206 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.252 -0.162 -5.023 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.529 2.770 -6.523 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.190 2.218 -4.318 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.333 3.691 -5.069 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.704 -4.513 -5.145 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.817 -5.989 -5.325 1.00 0.08 C ATOM 1216 C PHE A 80 -5.201 -6.428 -4.862 1.00 0.11 C ATOM 1217 O PHE A 80 -5.845 -5.766 -4.072 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.758 -6.697 -4.476 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.397 -6.546 -5.117 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -0.944 -7.498 -6.053 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.577 -5.455 -4.773 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.330 -7.357 -6.640 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.695 -5.314 -5.361 1.00 0.11 C ATOM 1224 CZ PHE A 80 1.148 -6.264 -6.293 1.00 0.14 C ATOM 0 H PHE A 80 -3.890 -4.185 -4.197 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.666 -6.245 -6.374 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.745 -6.276 -3.471 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.007 -7.753 -4.376 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.572 -8.335 -6.320 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.924 -4.725 -4.057 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.679 -8.087 -7.356 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.322 -4.476 -5.096 1.00 0.11 H new ATOM 0 HZ PHE A 80 2.124 -6.156 -6.743 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.661 -7.542 -5.344 1.00 0.11 N ATOM 1235 CA LYS A 81 -6.999 -8.040 -4.939 1.00 0.14 C ATOM 1236 C LYS A 81 -7.003 -9.553 -5.130 1.00 0.14 C ATOM 1237 O LYS A 81 -6.692 -10.047 -6.194 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.072 -7.377 -5.818 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.443 -7.443 -5.132 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.425 -6.527 -5.872 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.746 -6.465 -5.101 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.263 -7.846 -4.893 1.00 1.48 N ATOM 0 H LYS A 81 -5.163 -8.135 -6.008 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.215 -7.798 -3.898 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.804 -6.338 -6.009 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.118 -7.877 -6.785 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.813 -8.468 -5.132 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.356 -7.136 -4.090 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.002 -5.527 -5.971 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.598 -6.901 -6.881 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.596 -5.972 -4.140 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.475 -5.871 -5.653 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.297 -7.851 -5.008 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -11.834 -8.486 -5.591 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.020 -8.167 -3.934 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.327 -10.292 -4.104 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.329 -11.778 -4.217 1.00 0.20 C ATOM 1258 C LYS A 82 -5.956 -12.268 -4.695 1.00 0.20 C ATOM 1259 O LYS A 82 -5.850 -13.281 -5.359 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.404 -12.222 -5.216 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.784 -12.152 -4.562 1.00 0.24 C ATOM 1262 CD LYS A 82 -10.861 -12.433 -5.615 1.00 0.36 C ATOM 1263 CE LYS A 82 -12.246 -12.186 -5.015 1.00 1.19 C ATOM 1264 NZ LYS A 82 -13.288 -12.437 -6.052 1.00 1.67 N ATOM 0 H LYS A 82 -7.592 -9.928 -3.188 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.544 -12.206 -3.238 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.378 -11.584 -6.099 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.203 -13.239 -5.552 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.852 -12.879 -3.753 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -9.940 -11.168 -4.120 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.711 -11.791 -6.483 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -10.783 -13.463 -5.963 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.405 -12.841 -4.158 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -12.319 -11.161 -4.651 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -14.230 -12.269 -5.645 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -13.139 -11.795 -6.856 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -13.222 -13.422 -6.379 1.00 1.67 H new ATOM 1278 N GLY A 83 -4.908 -11.573 -4.357 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.549 -12.018 -4.785 1.00 0.21 C ATOM 1280 C GLY A 83 -3.299 -11.628 -6.245 1.00 0.19 C ATOM 1281 O GLY A 83 -2.293 -11.991 -6.821 1.00 0.22 O ATOM 0 H GLY A 83 -4.931 -10.717 -3.804 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.792 -11.565 -4.145 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.459 -13.098 -4.669 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.205 -10.899 -6.850 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.023 -10.486 -8.284 1.00 0.17 C ATOM 1287 C GLN A 84 -3.828 -8.967 -8.375 1.00 0.16 C ATOM 1288 O GLN A 84 -4.383 -8.214 -7.603 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.271 -10.875 -9.076 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.507 -12.381 -8.944 1.00 0.23 C ATOM 1291 CD GLN A 84 -6.901 -12.727 -9.469 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.295 -13.876 -9.468 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -7.669 -11.772 -9.919 1.00 2.08 N ATOM 0 H GLN A 84 -5.066 -10.570 -6.414 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.144 -10.986 -8.692 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.137 -10.326 -8.705 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.148 -10.605 -10.125 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -4.749 -12.929 -9.504 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.414 -12.684 -7.901 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -7.337 -10.808 -9.919 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -8.601 -11.990 -10.270 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.047 -8.511 -9.324 1.00 0.17 N ATOM 1303 CA LYS A 85 -2.823 -7.041 -9.471 1.00 0.17 C ATOM 1304 C LYS A 85 -3.947 -6.445 -10.319 1.00 0.16 C ATOM 1305 O LYS A 85 -4.448 -7.078 -11.226 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.477 -6.784 -10.161 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.331 -5.283 -10.454 1.00 0.25 C ATOM 1308 CD LYS A 85 0.143 -4.933 -10.679 1.00 0.30 C ATOM 1309 CE LYS A 85 0.698 -5.762 -11.841 1.00 0.89 C ATOM 1310 NZ LYS A 85 1.975 -5.159 -12.318 1.00 1.70 N ATOM 0 H LYS A 85 -2.556 -9.094 -10.002 1.00 0.17 H new ATOM 0 HA LYS A 85 -2.815 -6.577 -8.485 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.659 -7.123 -9.525 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.417 -7.354 -11.088 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -1.915 -5.018 -11.336 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.728 -4.702 -9.622 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.245 -3.870 -10.896 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.716 -5.130 -9.773 1.00 0.30 H new ATOM 0 HE2 LYS A 85 0.867 -6.790 -11.520 1.00 0.89 H new ATOM 0 HE3 LYS A 85 -0.026 -5.797 -12.655 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 2.351 -5.722 -13.107 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 1.800 -4.186 -12.640 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 2.665 -5.148 -11.540 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.352 -5.231 -10.026 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.455 -4.582 -10.808 1.00 0.16 C ATOM 1326 C VAL A 86 -4.996 -3.213 -11.326 1.00 0.18 C ATOM 1327 O VAL A 86 -5.416 -2.772 -12.378 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.671 -4.403 -9.901 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.209 -5.775 -9.489 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.261 -3.623 -8.650 1.00 0.17 C ATOM 0 H VAL A 86 -3.964 -4.659 -9.276 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.716 -5.213 -11.658 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.446 -3.855 -10.437 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.077 -5.646 -8.842 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.500 -6.334 -10.379 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.435 -6.323 -8.953 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.127 -3.494 -8.001 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.486 -4.173 -8.116 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -5.877 -2.645 -8.941 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.144 -2.533 -10.603 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.678 -1.194 -11.076 1.00 0.18 C ATOM 1342 C GLY A 87 -2.533 -0.684 -10.194 1.00 0.10 C ATOM 1343 O GLY A 87 -2.150 -1.316 -9.231 1.00 0.08 O ATOM 0 H GLY A 87 -3.753 -2.843 -9.713 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.345 -1.263 -12.112 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.506 -0.485 -11.054 1.00 0.18 H new ATOM 1347 N GLU A 88 -1.989 0.462 -10.519 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.871 1.020 -9.703 1.00 0.10 C ATOM 1349 C GLU A 88 -0.528 2.429 -10.178 1.00 0.10 C ATOM 1350 O GLU A 88 -0.793 2.802 -11.305 1.00 0.11 O ATOM 1351 CB GLU A 88 0.361 0.125 -9.836 1.00 0.17 C ATOM 1352 CG GLU A 88 0.755 -0.012 -11.313 1.00 0.25 C ATOM 1353 CD GLU A 88 1.544 1.223 -11.753 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.430 1.629 -11.018 1.00 2.04 O ATOM 1355 OE2 GLU A 88 1.247 1.743 -12.816 1.00 1.94 O ATOM 0 H GLU A 88 -2.272 1.034 -11.315 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.182 1.060 -8.659 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.190 0.547 -9.268 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.153 -0.858 -9.414 1.00 0.17 H new ATOM 0 HG2 GLU A 88 1.356 -0.910 -11.457 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.138 -0.124 -11.929 1.00 0.25 H new ATOM 1362 N PHE A 89 0.077 3.212 -9.325 1.00 0.09 N ATOM 1363 CA PHE A 89 0.455 4.596 -9.726 1.00 0.09 C ATOM 1364 C PHE A 89 1.386 5.216 -8.679 1.00 0.09 C ATOM 1365 O PHE A 89 1.127 5.173 -7.496 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.807 5.463 -9.916 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.351 5.968 -8.590 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.687 7.003 -7.892 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.532 5.413 -8.059 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.203 7.473 -6.672 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.047 5.888 -6.839 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.384 6.917 -6.145 1.00 0.11 C ATOM 0 H PHE A 89 0.325 2.953 -8.370 1.00 0.09 H new ATOM 0 HA PHE A 89 0.987 4.553 -10.676 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.572 6.311 -10.559 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.575 4.880 -10.425 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.217 7.433 -8.297 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.042 4.622 -8.589 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.693 8.261 -6.138 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -3.953 5.462 -6.434 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.781 7.280 -5.209 1.00 0.11 H new ATOM 1382 N SER A 90 2.467 5.809 -9.115 1.00 0.13 N ATOM 1383 CA SER A 90 3.423 6.455 -8.160 1.00 0.14 C ATOM 1384 C SER A 90 3.243 7.973 -8.225 1.00 0.14 C ATOM 1385 O SER A 90 2.314 8.472 -8.828 1.00 0.17 O ATOM 1386 CB SER A 90 4.853 6.095 -8.558 1.00 0.15 C ATOM 1387 OG SER A 90 5.276 6.941 -9.619 1.00 0.16 O ATOM 0 H SER A 90 2.732 5.875 -10.098 1.00 0.13 H new ATOM 0 HA SER A 90 3.229 6.105 -7.146 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.519 6.206 -7.702 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.904 5.051 -8.868 1.00 0.15 H new ATOM 0 HG SER A 90 6.144 7.337 -9.396 1.00 0.16 H new ATOM 1393 N GLY A 91 4.122 8.713 -7.605 1.00 0.12 N ATOM 1394 CA GLY A 91 3.999 10.204 -7.626 1.00 0.13 C ATOM 1395 C GLY A 91 3.220 10.659 -6.393 1.00 0.13 C ATOM 1396 O GLY A 91 2.130 10.192 -6.132 1.00 0.13 O ATOM 0 H GLY A 91 4.921 8.352 -7.084 1.00 0.12 H new ATOM 0 HA2 GLY A 91 4.988 10.663 -7.636 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.488 10.526 -8.533 1.00 0.13 H new ATOM 1400 N ALA A 92 3.773 11.554 -5.622 1.00 0.15 N ATOM 1401 CA ALA A 92 3.058 12.015 -4.398 1.00 0.17 C ATOM 1402 C ALA A 92 1.673 12.566 -4.765 1.00 0.15 C ATOM 1403 O ALA A 92 1.523 13.727 -5.092 1.00 0.16 O ATOM 1404 CB ALA A 92 3.881 13.111 -3.694 1.00 0.20 C ATOM 0 H ALA A 92 4.683 11.984 -5.785 1.00 0.15 H new ATOM 0 HA ALA A 92 2.934 11.166 -3.725 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.354 13.444 -2.800 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.855 12.710 -3.413 1.00 0.20 H new ATOM 0 HB3 ALA A 92 4.017 13.955 -4.371 1.00 0.20 H new ATOM 1410 N ASN A 93 0.659 11.747 -4.686 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.723 12.222 -4.997 1.00 0.13 C ATOM 1412 C ASN A 93 -1.694 11.562 -4.013 1.00 0.12 C ATOM 1413 O ASN A 93 -2.425 10.654 -4.359 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.095 11.843 -6.438 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.235 12.741 -6.925 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.484 12.837 -8.110 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -2.945 13.405 -6.054 1.00 1.15 N ATOM 0 H ASN A 93 0.727 10.765 -4.418 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.776 13.306 -4.901 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.228 11.953 -7.089 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.397 10.797 -6.483 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -3.708 14.004 -6.369 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -2.737 13.325 -5.059 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.694 12.004 -2.785 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.600 11.402 -1.765 1.00 0.20 C ATOM 1426 C LYS A 94 -4.055 11.583 -2.192 1.00 0.18 C ATOM 1427 O LYS A 94 -4.912 10.791 -1.853 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.383 12.097 -0.412 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.412 13.647 -0.580 1.00 0.38 C ATOM 1430 CD LYS A 94 -1.004 14.248 -0.384 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.650 14.332 1.110 1.00 0.78 C ATOM 1432 NZ LYS A 94 -0.101 13.026 1.562 1.00 1.19 N ATOM 0 H LYS A 94 -1.102 12.761 -2.442 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.377 10.339 -1.674 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.157 11.787 0.290 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.427 11.790 0.012 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.786 13.903 -1.571 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -3.102 14.082 0.143 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.267 13.636 -0.903 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.963 15.242 -0.829 1.00 0.88 H new ATOM 0 HE2 LYS A 94 0.080 15.124 1.278 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -1.536 14.587 1.691 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 -0.753 12.593 2.247 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 0.011 12.394 0.743 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 0.824 13.176 2.013 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.347 12.617 -2.928 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.748 12.839 -3.365 1.00 0.20 C ATOM 1448 C GLU A 95 -6.157 11.721 -4.327 1.00 0.17 C ATOM 1449 O GLU A 95 -7.307 11.330 -4.393 1.00 0.18 O ATOM 1450 CB GLU A 95 -5.846 14.185 -4.083 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.463 15.315 -3.125 1.00 0.33 C ATOM 1452 CD GLU A 95 -5.544 16.654 -3.860 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -6.434 16.805 -4.681 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -4.716 17.507 -3.590 1.00 1.86 O ATOM 0 H GLU A 95 -3.676 13.316 -3.245 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.409 12.838 -2.498 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.187 14.193 -4.951 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -6.860 14.337 -4.452 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -6.132 15.319 -2.264 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.454 15.157 -2.744 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.218 11.205 -5.075 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.535 10.113 -6.039 1.00 0.14 C ATOM 1463 C LYS A 96 -5.892 8.843 -5.267 1.00 0.12 C ATOM 1464 O LYS A 96 -6.734 8.079 -5.681 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.323 9.851 -6.942 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.765 9.127 -8.217 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.539 8.784 -9.065 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.987 8.359 -10.465 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.836 7.755 -11.194 1.00 2.05 N ATOM 0 H LYS A 96 -4.240 11.495 -5.059 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.381 10.409 -6.659 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -3.840 10.794 -7.198 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.586 9.250 -6.410 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -5.308 8.217 -7.961 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.449 9.757 -8.786 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.876 9.647 -9.130 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -2.971 7.981 -8.594 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.804 7.641 -10.394 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.367 9.221 -11.014 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -2.878 8.028 -12.197 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -1.945 8.096 -10.780 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.880 6.719 -11.115 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.267 8.611 -4.140 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.603 7.386 -3.358 1.00 0.11 C ATOM 1485 C LEU A 97 -7.121 7.324 -3.184 1.00 0.11 C ATOM 1486 O LEU A 97 -7.720 6.267 -3.198 1.00 0.11 O ATOM 1487 CB LEU A 97 -4.950 7.454 -1.967 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.474 7.048 -2.037 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.838 7.314 -0.667 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.348 5.546 -2.413 1.00 0.13 C ATOM 0 H LEU A 97 -4.548 9.209 -3.733 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.237 6.505 -3.885 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.035 8.465 -1.570 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.480 6.796 -1.279 1.00 0.12 H new ATOM 0 HG LEU A 97 -2.960 7.629 -2.803 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.785 7.032 -0.694 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -2.924 8.373 -0.426 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.352 6.726 0.093 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.295 5.270 -2.460 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.849 4.939 -1.659 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.811 5.374 -3.384 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.740 8.456 -3.016 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.220 8.483 -2.833 1.00 0.14 C ATOM 1504 C GLU A 98 -9.909 8.039 -4.125 1.00 0.13 C ATOM 1505 O GLU A 98 -10.685 7.104 -4.141 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.660 9.907 -2.484 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.092 9.886 -1.947 1.00 0.21 C ATOM 1508 CD GLU A 98 -11.093 9.346 -0.516 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -10.019 9.073 -0.006 1.00 2.15 O ATOM 1510 OE2 GLU A 98 -12.169 9.214 0.046 1.00 2.05 O ATOM 0 H GLU A 98 -7.285 9.369 -2.997 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.498 7.804 -2.027 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.988 10.334 -1.739 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.602 10.543 -3.367 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.514 10.891 -1.968 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.721 9.263 -2.583 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.639 8.717 -5.206 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.281 8.358 -6.506 1.00 0.14 C ATOM 1519 C ALA A 99 -9.929 6.921 -6.911 1.00 0.12 C ATOM 1520 O ALA A 99 -10.755 6.202 -7.430 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.790 9.322 -7.588 1.00 0.15 C ATOM 0 H ALA A 99 -8.998 9.509 -5.247 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.363 8.431 -6.395 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.254 9.067 -8.541 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.059 10.343 -7.315 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.707 9.245 -7.680 1.00 0.15 H new ATOM 1527 N THR A 100 -8.710 6.502 -6.698 1.00 0.11 N ATOM 1528 CA THR A 100 -8.314 5.117 -7.098 1.00 0.11 C ATOM 1529 C THR A 100 -9.054 4.086 -6.241 1.00 0.10 C ATOM 1530 O THR A 100 -9.592 3.122 -6.747 1.00 0.11 O ATOM 1531 CB THR A 100 -6.803 4.945 -6.917 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.135 6.096 -7.417 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.332 3.707 -7.683 1.00 0.12 C ATOM 0 H THR A 100 -7.971 7.057 -6.265 1.00 0.11 H new ATOM 0 HA THR A 100 -8.578 4.961 -8.144 1.00 0.11 H new ATOM 0 HB THR A 100 -6.575 4.822 -5.858 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.179 6.815 -6.752 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.257 3.586 -7.553 1.00 0.12 H new ATOM 0 HG22 THR A 100 -6.845 2.825 -7.300 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.558 3.827 -8.743 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.090 4.280 -4.954 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.804 3.307 -4.074 1.00 0.11 C ATOM 1543 C ILE A 101 -11.283 3.273 -4.471 1.00 0.13 C ATOM 1544 O ILE A 101 -11.843 2.223 -4.712 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.657 3.747 -2.605 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.203 3.501 -2.150 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.619 2.939 -1.720 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.880 4.316 -0.886 1.00 0.18 C ATOM 0 H ILE A 101 -8.658 5.068 -4.471 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.377 2.311 -4.189 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.898 4.806 -2.515 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.054 2.440 -1.952 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.516 3.775 -2.950 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.511 3.254 -0.682 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.645 3.111 -2.046 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.385 1.878 -1.803 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.850 4.126 -0.584 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -8.007 5.378 -1.096 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.554 4.022 -0.081 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.921 4.409 -4.538 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.365 4.435 -4.915 1.00 0.17 C ATOM 1562 C ASN A 102 -13.545 3.832 -6.310 1.00 0.18 C ATOM 1563 O ASN A 102 -14.636 3.470 -6.705 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.861 5.883 -4.919 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.379 5.904 -5.108 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -15.880 5.498 -6.137 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.136 6.364 -4.150 1.00 1.03 N ATOM 0 H ASN A 102 -11.506 5.321 -4.348 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.938 3.852 -4.194 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.594 6.372 -3.982 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.377 6.442 -5.720 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.149 6.383 -4.265 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.714 6.705 -3.286 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.485 3.727 -7.061 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.593 3.154 -8.432 1.00 0.18 C ATOM 1576 C GLU A 103 -12.727 1.628 -8.356 1.00 0.19 C ATOM 1577 O GLU A 103 -13.707 1.058 -8.791 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.328 3.511 -9.226 1.00 0.17 C ATOM 1579 CG GLU A 103 -11.601 3.370 -10.726 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.383 3.856 -11.513 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.005 5.002 -11.333 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -9.851 3.075 -12.283 1.00 2.02 O ATOM 0 H GLU A 103 -11.546 4.014 -6.784 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.474 3.565 -8.925 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.020 4.531 -8.997 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.507 2.857 -8.933 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -11.815 2.330 -10.972 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.481 3.950 -11.003 1.00 0.22 H new ATOM 1589 N LEU A 104 -11.732 0.968 -7.829 1.00 0.17 N ATOM 1590 CA LEU A 104 -11.766 -0.523 -7.738 1.00 0.19 C ATOM 1591 C LEU A 104 -12.313 -0.967 -6.377 1.00 0.19 C ATOM 1592 O LEU A 104 -12.063 -2.071 -5.934 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.343 -1.055 -7.916 1.00 0.17 C ATOM 1594 CG LEU A 104 -9.752 -0.522 -9.227 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.276 -0.911 -9.305 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.507 -1.119 -10.425 1.00 0.35 C ATOM 0 H LEU A 104 -10.888 1.401 -7.454 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.419 -0.918 -8.516 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.722 -0.748 -7.075 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.350 -2.145 -7.926 1.00 0.17 H new ATOM 0 HG LEU A 104 -9.850 0.563 -9.254 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -7.849 -0.535 -10.235 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -7.741 -0.479 -8.459 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.184 -1.997 -9.276 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.081 -0.735 -11.352 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.417 -2.205 -10.407 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.559 -0.841 -10.367 1.00 0.35 H new ATOM 1672 N PHE B 3 19.102 2.485 1.344 1.00 0.00 N ATOM 1673 CA PHE B 3 18.798 3.400 0.197 1.00 0.00 C ATOM 1674 C PHE B 3 18.548 2.565 -1.062 1.00 0.00 C ATOM 1675 O PHE B 3 18.964 1.428 -1.156 1.00 0.00 O ATOM 1676 CB PHE B 3 19.996 4.325 -0.037 1.00 0.00 C ATOM 1677 CG PHE B 3 19.977 5.443 0.981 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.303 5.181 2.325 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.639 6.747 0.581 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.289 6.224 3.269 1.00 0.00 C ATOM 1681 CE2 PHE B 3 19.624 7.791 1.524 1.00 0.00 C ATOM 1682 CZ PHE B 3 19.950 7.531 2.868 1.00 0.00 C ATOM 0 HA PHE B 3 17.913 3.995 0.423 1.00 0.00 H new ATOM 0 HB2 PHE B 3 20.925 3.761 0.044 1.00 0.00 H new ATOM 0 HB3 PHE B 3 19.959 4.737 -1.046 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.564 4.179 2.632 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.391 6.948 -0.451 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.538 6.023 4.300 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.362 8.793 1.216 1.00 0.00 H new ATOM 0 HZ PHE B 3 19.940 8.333 3.591 1.00 0.00 H new ATOM 1692 N ARG B 4 17.876 3.126 -2.035 1.00 0.00 N ATOM 1693 CA ARG B 4 17.604 2.369 -3.293 1.00 0.00 C ATOM 1694 C ARG B 4 17.537 3.348 -4.478 1.00 0.00 C ATOM 1695 O ARG B 4 18.553 3.671 -5.061 1.00 0.00 O ATOM 1696 CB ARG B 4 16.286 1.595 -3.153 1.00 0.00 C ATOM 1697 CG ARG B 4 16.199 0.507 -4.247 1.00 0.00 C ATOM 1698 CD ARG B 4 16.815 -0.809 -3.757 1.00 0.00 C ATOM 1699 NE ARG B 4 16.486 -1.887 -4.732 1.00 0.00 N ATOM 1700 CZ ARG B 4 17.127 -3.022 -4.697 1.00 0.00 C ATOM 1701 NH1 ARG B 4 18.067 -3.213 -3.814 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.831 -3.965 -5.550 1.00 0.00 N ATOM 0 H ARG B 4 17.504 4.076 -2.012 1.00 0.00 H new ATOM 0 HA ARG B 4 18.408 1.656 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.226 1.137 -2.166 1.00 0.00 H new ATOM 0 HB3 ARG B 4 15.441 2.279 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG B 4 15.157 0.345 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.718 0.845 -5.144 1.00 0.00 H new ATOM 0 HD2 ARG B 4 17.896 -0.706 -3.659 1.00 0.00 H new ATOM 0 HD3 ARG B 4 16.428 -1.062 -2.770 1.00 0.00 H new ATOM 0 HE ARG B 4 15.757 -1.736 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG B 4 18.301 -2.475 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG B 4 18.568 -4.101 -3.787 1.00 0.00 H new ATOM 0 HH21 ARG B 4 16.099 -3.814 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG B 4 17.332 -4.853 -5.523 1.00 0.00 H new ATOM 1716 N TYR B 5 16.362 3.833 -4.842 1.00 0.00 N ATOM 1717 CA TYR B 5 16.254 4.800 -5.990 1.00 0.00 C ATOM 1718 C TYR B 5 15.744 6.165 -5.497 1.00 0.00 C ATOM 1719 O TYR B 5 15.764 6.462 -4.318 1.00 0.00 O ATOM 1720 CB TYR B 5 15.327 4.237 -7.089 1.00 0.00 C ATOM 1721 CG TYR B 5 14.151 3.513 -6.500 1.00 0.00 C ATOM 1722 CD1 TYR B 5 12.992 4.230 -6.195 1.00 0.00 C ATOM 1723 CD2 TYR B 5 14.199 2.121 -6.289 1.00 0.00 C ATOM 1724 CE1 TYR B 5 11.877 3.570 -5.672 1.00 0.00 C ATOM 1725 CE2 TYR B 5 13.077 1.453 -5.758 1.00 0.00 C ATOM 1726 CZ TYR B 5 11.915 2.181 -5.447 1.00 0.00 C ATOM 1727 OH TYR B 5 10.809 1.537 -4.929 1.00 0.00 O ATOM 0 H TYR B 5 15.477 3.599 -4.393 1.00 0.00 H new ATOM 0 HA TYR B 5 17.247 4.938 -6.419 1.00 0.00 H new ATOM 0 HB2 TYR B 5 14.974 5.052 -7.721 1.00 0.00 H new ATOM 0 HB3 TYR B 5 15.890 3.558 -7.729 1.00 0.00 H new ATOM 0 HD1 TYR B 5 12.957 5.296 -6.364 1.00 0.00 H new ATOM 0 HD2 TYR B 5 15.093 1.567 -6.533 1.00 0.00 H new ATOM 0 HE1 TYR B 5 10.982 4.128 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR B 5 13.110 0.387 -5.591 1.00 0.00 H new ATOM 0 HH TYR B 5 11.070 0.652 -4.599 1.00 0.00 H new ATOM 1737 N VAL B 6 15.340 7.013 -6.406 1.00 0.00 N ATOM 1738 CA VAL B 6 14.882 8.388 -6.032 1.00 0.00 C ATOM 1739 C VAL B 6 13.529 8.386 -5.314 1.00 0.00 C ATOM 1740 O VAL B 6 12.673 7.557 -5.558 1.00 0.00 O ATOM 1741 CB VAL B 6 14.747 9.222 -7.308 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.711 10.705 -6.947 1.00 0.00 C ATOM 1743 CG2 VAL B 6 15.937 8.954 -8.224 1.00 0.00 C ATOM 0 H VAL B 6 15.307 6.810 -7.405 1.00 0.00 H new ATOM 0 HA VAL B 6 15.622 8.805 -5.349 1.00 0.00 H new ATOM 0 HB VAL B 6 13.825 8.948 -7.821 1.00 0.00 H new ATOM 0 HG11 VAL B 6 14.615 11.299 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL B 6 13.860 10.900 -6.295 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.633 10.977 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL B 6 15.839 9.549 -9.132 1.00 0.00 H new ATOM 0 HG22 VAL B 6 16.860 9.225 -7.711 1.00 0.00 H new ATOM 0 HG23 VAL B 6 15.964 7.896 -8.485 1.00 0.00 H new ATOM 1753 N CYS B 7 13.327 9.366 -4.463 1.00 0.00 N ATOM 1754 CA CYS B 7 12.029 9.514 -3.736 1.00 0.00 C ATOM 1755 C CYS B 7 11.222 10.602 -4.438 1.00 0.00 C ATOM 1756 O CYS B 7 11.353 11.770 -4.133 1.00 0.00 O ATOM 1757 CB CYS B 7 12.277 9.950 -2.288 1.00 0.00 C ATOM 1758 SG CYS B 7 13.328 8.750 -1.433 1.00 0.00 S ATOM 0 H CYS B 7 14.020 10.080 -4.240 1.00 0.00 H new ATOM 0 HA CYS B 7 11.498 8.562 -3.734 1.00 0.00 H new ATOM 0 HB2 CYS B 7 12.751 10.932 -2.274 1.00 0.00 H new ATOM 0 HB3 CYS B 7 11.326 10.047 -1.764 1.00 0.00 H new ATOM 1763 N GLU B 8 10.404 10.246 -5.389 1.00 0.00 N ATOM 1764 CA GLU B 8 9.620 11.291 -6.110 1.00 0.00 C ATOM 1765 C GLU B 8 8.347 11.632 -5.341 1.00 0.00 C ATOM 1766 O GLU B 8 7.286 11.808 -5.915 1.00 0.00 O ATOM 1767 CB GLU B 8 9.251 10.797 -7.507 1.00 0.00 C ATOM 1768 CG GLU B 8 8.699 9.374 -7.415 1.00 0.00 C ATOM 1769 CD GLU B 8 7.981 9.023 -8.720 1.00 0.00 C ATOM 1770 OE1 GLU B 8 8.578 9.206 -9.768 1.00 0.00 O ATOM 1771 OE2 GLU B 8 6.848 8.578 -8.649 1.00 0.00 O ATOM 0 H GLU B 8 10.244 9.287 -5.697 1.00 0.00 H new ATOM 0 HA GLU B 8 10.236 12.187 -6.191 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.509 11.458 -7.954 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.127 10.817 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.510 8.669 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.010 9.293 -6.574 1.00 0.00 H new ATOM 1778 N GLY B 9 8.443 11.765 -4.053 1.00 0.00 N ATOM 1779 CA GLY B 9 7.241 12.141 -3.270 1.00 0.00 C ATOM 1780 C GLY B 9 6.919 13.606 -3.620 1.00 0.00 C ATOM 1781 O GLY B 9 6.979 13.954 -4.784 1.00 0.00 O ATOM 0 H GLY B 9 9.296 11.631 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.401 11.492 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.426 12.031 -2.202 1.00 0.00 H new ATOM 1785 N PRO B 10 6.615 14.451 -2.650 1.00 0.00 N ATOM 1786 CA PRO B 10 6.337 15.867 -2.954 1.00 0.00 C ATOM 1787 C PRO B 10 7.622 16.541 -3.470 1.00 0.00 C ATOM 1788 O PRO B 10 7.789 17.742 -3.376 1.00 0.00 O ATOM 1789 CB PRO B 10 5.868 16.484 -1.612 1.00 0.00 C ATOM 1790 CG PRO B 10 5.960 15.366 -0.530 1.00 0.00 C ATOM 1791 CD PRO B 10 6.506 14.093 -1.222 1.00 0.00 C ATOM 0 HA PRO B 10 5.581 15.998 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.494 17.334 -1.340 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.846 16.854 -1.696 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.618 15.673 0.283 1.00 0.00 H new ATOM 0 HG3 PRO B 10 4.980 15.174 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.474 13.806 -0.812 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.835 13.246 -1.077 1.00 0.00 H new ATOM 1799 N SER B 11 8.528 15.768 -4.014 1.00 0.00 N ATOM 1800 CA SER B 11 9.801 16.335 -4.537 1.00 0.00 C ATOM 1801 C SER B 11 9.616 16.730 -6.002 1.00 0.00 C ATOM 1802 O SER B 11 9.822 17.866 -6.381 1.00 0.00 O ATOM 1803 CB SER B 11 10.902 15.272 -4.431 1.00 0.00 C ATOM 1804 OG SER B 11 12.119 15.805 -4.933 1.00 0.00 O ATOM 0 H SER B 11 8.436 14.757 -4.118 1.00 0.00 H new ATOM 0 HA SER B 11 10.080 17.215 -3.957 1.00 0.00 H new ATOM 0 HB2 SER B 11 11.027 14.964 -3.393 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.621 14.383 -4.996 1.00 0.00 H new ATOM 0 HG SER B 11 12.825 15.129 -4.865 1.00 0.00 H new