USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot -67:sc= 1.14 USER MOD Set 1.2: A 30 HIS : no HE2:sc= -0.779 K(o=0.36,f=-13!) USER MOD Single : A 1 SER N :NH3+ 172:sc= -2.27! (180deg=-2.44!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -1.22! X(o=-1.2!,f=-1.1) USER MOD Single : A 7 LYS NZ :NH3+ -133:sc= 0.794 (180deg=-2.01!) USER MOD Single : A 13 LYS NZ :NH3+ 179:sc=0.000146 (180deg=-0.0459) USER MOD Single : A 14 HIS : no HE2:sc= 1.27 K(o=1.3,f=-3.8!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -116:sc= 1.11 (180deg=-0.945) USER MOD Single : A 24 MET CE :methyl 177:sc= 0 (180deg=-0.00506) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.88 K(o=-2.9,f=-4.7!) USER MOD Single : A 35 THR OG1 : rot -76:sc= 0.744 USER MOD Single : A 40 ASN : amide:sc= 1.24 K(o=1.2,f=-0.027) USER MOD Single : A 41 THR OG1 : rot -140:sc= 0.678 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -126:sc= 0.856 (180deg=-2.26!) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= -0.109 (180deg=-0.956) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -1.1 (180deg=-1.32!) USER MOD Single : A 59 ASN : amide:sc= 0.225 X(o=0.23,f=-0.24) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -92:sc= 2.09 USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= -0.0714 (180deg=-0.672) USER MOD Single : A 70 MET CE :methyl -175:sc= -0.0502 (180deg=-0.0583) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -140:sc= -1.76 USER MOD Single : A 76 LYS NZ :NH3+ 156:sc= 0.256 (180deg=-1.42!) USER MOD Single : A 81 LYS NZ :NH3+ -130:sc= -7.54! (180deg=-10.3!) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= -2.63! (180deg=-4.21!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.500 10.865 14.128 1.00 8.29 N ATOM 2 CA SER A 1 -2.300 10.291 13.011 1.00 7.46 C ATOM 3 C SER A 1 -1.591 9.094 12.340 1.00 6.37 C ATOM 4 O SER A 1 -2.048 7.990 12.560 1.00 6.79 O ATOM 5 CB SER A 1 -2.575 11.391 11.959 1.00 5.90 C ATOM 6 OG SER A 1 -3.454 10.723 11.061 1.00 6.91 O ATOM 0 H1 SER A 1 -1.947 11.744 14.459 1.00 8.29 H new ATOM 0 H2 SER A 1 -1.457 10.182 14.911 1.00 8.29 H new ATOM 0 H3 SER A 1 -0.536 11.071 13.795 1.00 8.29 H new ATOM 0 HA SER A 1 -3.237 9.923 13.428 1.00 7.46 H new ATOM 0 HB2 SER A 1 -3.036 12.274 12.402 1.00 5.90 H new ATOM 0 HB3 SER A 1 -1.661 11.722 11.466 1.00 5.90 H new ATOM 0 HG SER A 1 -3.706 11.332 10.336 1.00 6.91 H new ATOM 14 N GLN A 2 -0.538 9.276 11.575 1.00 5.19 N ATOM 15 CA GLN A 2 0.129 8.076 10.943 1.00 4.62 C ATOM 16 C GLN A 2 1.506 7.820 11.616 1.00 2.78 C ATOM 17 O GLN A 2 1.608 7.910 12.821 1.00 3.56 O ATOM 18 CB GLN A 2 0.276 8.344 9.384 1.00 5.47 C ATOM 19 CG GLN A 2 1.362 9.427 9.018 1.00 5.80 C ATOM 20 CD GLN A 2 1.828 9.315 7.548 1.00 6.61 C ATOM 21 OE1 GLN A 2 1.617 8.346 6.850 1.00 8.05 O ATOM 22 NE2 GLN A 2 2.486 10.288 7.016 1.00 5.95 N ATOM 0 H GLN A 2 -0.115 10.179 11.361 1.00 5.19 H new ATOM 0 HA GLN A 2 -0.474 7.180 11.089 1.00 4.62 H new ATOM 0 HB2 GLN A 2 0.530 7.408 8.887 1.00 5.47 H new ATOM 0 HB3 GLN A 2 -0.688 8.663 8.988 1.00 5.47 H new ATOM 0 HG2 GLN A 2 0.953 10.422 9.193 1.00 5.80 H new ATOM 0 HG3 GLN A 2 2.221 9.315 9.679 1.00 5.80 H new ATOM 0 HE21 GLN A 2 2.689 11.125 7.562 1.00 5.95 H new ATOM 0 HE22 GLN A 2 2.804 10.220 6.049 1.00 5.95 H new ATOM 31 N ALA A 3 2.485 7.478 10.821 1.00 0.87 N ATOM 32 CA ALA A 3 3.877 7.208 11.293 1.00 1.53 C ATOM 33 C ALA A 3 4.432 8.131 12.431 1.00 1.07 C ATOM 34 O ALA A 3 3.959 9.221 12.724 1.00 1.35 O ATOM 35 CB ALA A 3 4.760 7.298 10.044 1.00 3.90 C ATOM 0 H ALA A 3 2.369 7.370 9.813 1.00 0.87 H new ATOM 0 HA ALA A 3 3.878 6.229 11.771 1.00 1.53 H new ATOM 0 HB1 ALA A 3 5.798 7.110 10.318 1.00 3.90 H new ATOM 0 HB2 ALA A 3 4.437 6.555 9.315 1.00 3.90 H new ATOM 0 HB3 ALA A 3 4.674 8.294 9.609 1.00 3.90 H new ATOM 41 N GLU A 4 5.485 7.644 13.032 1.00 0.56 N ATOM 42 CA GLU A 4 6.135 8.403 14.148 1.00 0.43 C ATOM 43 C GLU A 4 6.621 9.803 13.721 1.00 0.47 C ATOM 44 O GLU A 4 6.980 10.614 14.545 1.00 0.67 O ATOM 45 CB GLU A 4 7.303 7.559 14.668 1.00 0.78 C ATOM 46 CG GLU A 4 6.777 6.111 15.015 1.00 1.38 C ATOM 47 CD GLU A 4 5.668 6.159 16.071 1.00 4.18 C ATOM 48 OE1 GLU A 4 5.973 6.172 17.251 1.00 4.78 O ATOM 49 OE2 GLU A 4 4.521 6.196 15.659 1.00 5.68 O ATOM 0 H GLU A 4 5.925 6.754 12.801 1.00 0.56 H new ATOM 0 HA GLU A 4 5.396 8.575 14.931 1.00 0.43 H new ATOM 0 HB2 GLU A 4 8.091 7.503 13.917 1.00 0.78 H new ATOM 0 HB3 GLU A 4 7.738 8.023 15.553 1.00 0.78 H new ATOM 0 HG2 GLU A 4 6.401 5.632 14.111 1.00 1.38 H new ATOM 0 HG3 GLU A 4 7.603 5.500 15.379 1.00 1.38 H new ATOM 56 N PHE A 5 6.625 10.067 12.452 1.00 0.43 N ATOM 57 CA PHE A 5 7.079 11.410 11.960 1.00 0.52 C ATOM 58 C PHE A 5 5.964 12.429 12.168 1.00 0.66 C ATOM 59 O PHE A 5 6.172 13.436 12.816 1.00 0.66 O ATOM 60 CB PHE A 5 7.418 11.273 10.500 1.00 0.47 C ATOM 61 CG PHE A 5 7.565 12.667 9.883 1.00 0.46 C ATOM 62 CD1 PHE A 5 8.647 13.478 10.156 1.00 0.36 C ATOM 63 CD2 PHE A 5 6.570 13.129 9.056 1.00 0.74 C ATOM 64 CE1 PHE A 5 8.726 14.739 9.600 1.00 0.38 C ATOM 65 CE2 PHE A 5 6.639 14.374 8.505 1.00 0.73 C ATOM 66 CZ PHE A 5 7.712 15.179 8.774 1.00 0.46 C ATOM 0 H PHE A 5 6.334 9.415 11.723 1.00 0.43 H new ATOM 0 HA PHE A 5 7.956 11.754 12.508 1.00 0.52 H new ATOM 0 HB2 PHE A 5 8.344 10.710 10.381 1.00 0.47 H new ATOM 0 HB3 PHE A 5 6.637 10.715 9.984 1.00 0.47 H new ATOM 0 HD1 PHE A 5 9.434 13.126 10.806 1.00 0.36 H new ATOM 0 HD2 PHE A 5 5.721 12.497 8.839 1.00 0.74 H new ATOM 0 HE1 PHE A 5 9.573 15.375 9.809 1.00 0.38 H new ATOM 0 HE2 PHE A 5 5.849 14.724 7.858 1.00 0.73 H new ATOM 0 HZ PHE A 5 7.766 16.165 8.337 1.00 0.46 H new ATOM 76 N ASP A 6 4.827 12.137 11.601 1.00 0.76 N ATOM 77 CA ASP A 6 3.656 13.018 11.721 1.00 0.89 C ATOM 78 C ASP A 6 3.474 13.121 13.217 1.00 0.83 C ATOM 79 O ASP A 6 3.416 14.201 13.754 1.00 0.90 O ATOM 80 CB ASP A 6 2.562 12.303 11.008 1.00 1.02 C ATOM 81 CG ASP A 6 3.014 12.106 9.581 1.00 1.06 C ATOM 82 OD1 ASP A 6 3.755 11.162 9.355 1.00 0.83 O ATOM 83 OD2 ASP A 6 2.613 12.912 8.775 1.00 1.35 O ATOM 0 H ASP A 6 4.667 11.297 11.045 1.00 0.76 H new ATOM 0 HA ASP A 6 3.714 14.020 11.295 1.00 0.89 H new ATOM 0 HB2 ASP A 6 2.356 11.343 11.482 1.00 1.02 H new ATOM 0 HB3 ASP A 6 1.638 12.880 11.043 1.00 1.02 H new ATOM 88 N LYS A 7 3.414 11.972 13.831 1.00 0.81 N ATOM 89 CA LYS A 7 3.252 11.949 15.307 1.00 0.79 C ATOM 90 C LYS A 7 4.305 12.910 15.901 1.00 0.60 C ATOM 91 O LYS A 7 3.949 13.808 16.634 1.00 0.65 O ATOM 92 CB LYS A 7 3.437 10.513 15.668 1.00 0.96 C ATOM 93 CG LYS A 7 3.356 10.210 17.172 1.00 0.92 C ATOM 94 CD LYS A 7 3.392 8.668 17.170 1.00 1.59 C ATOM 95 CE LYS A 7 3.526 8.002 18.511 1.00 0.82 C ATOM 96 NZ LYS A 7 3.533 6.546 18.173 1.00 1.54 N ATOM 0 H LYS A 7 3.470 11.059 13.379 1.00 0.81 H new ATOM 0 HA LYS A 7 2.291 12.290 15.693 1.00 0.79 H new ATOM 0 HB2 LYS A 7 2.680 9.923 15.152 1.00 0.96 H new ATOM 0 HB3 LYS A 7 4.407 10.182 15.297 1.00 0.96 H new ATOM 0 HG2 LYS A 7 4.192 10.640 17.724 1.00 0.92 H new ATOM 0 HG3 LYS A 7 2.443 10.600 17.622 1.00 0.92 H new ATOM 0 HD2 LYS A 7 2.479 8.305 16.698 1.00 1.59 H new ATOM 0 HD3 LYS A 7 4.224 8.346 16.544 1.00 1.59 H new ATOM 0 HE2 LYS A 7 4.443 8.301 19.019 1.00 0.82 H new ATOM 0 HE3 LYS A 7 2.698 8.258 19.172 1.00 0.82 H new ATOM 0 HZ1 LYS A 7 2.881 6.040 18.806 1.00 1.54 H new ATOM 0 HZ2 LYS A 7 3.229 6.417 17.187 1.00 1.54 H new ATOM 0 HZ3 LYS A 7 4.494 6.167 18.291 1.00 1.54 H new ATOM 110 N ALA A 8 5.571 12.748 15.576 1.00 0.43 N ATOM 111 CA ALA A 8 6.578 13.688 16.158 1.00 0.26 C ATOM 112 C ALA A 8 6.104 15.145 15.949 1.00 0.25 C ATOM 113 O ALA A 8 6.051 15.946 16.858 1.00 0.22 O ATOM 114 CB ALA A 8 7.922 13.351 15.457 1.00 0.13 C ATOM 0 H ALA A 8 5.938 12.029 14.953 1.00 0.43 H new ATOM 0 HA ALA A 8 6.704 13.581 17.235 1.00 0.26 H new ATOM 0 HB1 ALA A 8 8.706 14.006 15.839 1.00 0.13 H new ATOM 0 HB2 ALA A 8 8.187 12.313 15.658 1.00 0.13 H new ATOM 0 HB3 ALA A 8 7.818 13.498 14.382 1.00 0.13 H new ATOM 120 N ALA A 9 5.745 15.437 14.745 1.00 0.30 N ATOM 121 CA ALA A 9 5.265 16.819 14.408 1.00 0.30 C ATOM 122 C ALA A 9 3.975 17.200 15.190 1.00 0.15 C ATOM 123 O ALA A 9 3.816 18.342 15.608 1.00 0.28 O ATOM 124 CB ALA A 9 5.016 16.879 12.897 1.00 0.62 C ATOM 0 H ALA A 9 5.758 14.783 13.963 1.00 0.30 H new ATOM 0 HA ALA A 9 6.027 17.541 14.702 1.00 0.30 H new ATOM 0 HB1 ALA A 9 4.666 17.875 12.625 1.00 0.62 H new ATOM 0 HB2 ALA A 9 5.943 16.663 12.367 1.00 0.62 H new ATOM 0 HB3 ALA A 9 4.261 16.142 12.623 1.00 0.62 H new ATOM 130 N GLU A 10 3.090 16.253 15.393 1.00 0.15 N ATOM 131 CA GLU A 10 1.788 16.458 16.120 1.00 0.31 C ATOM 132 C GLU A 10 2.162 16.843 17.564 1.00 0.21 C ATOM 133 O GLU A 10 1.671 17.785 18.160 1.00 0.28 O ATOM 134 CB GLU A 10 0.983 15.098 16.073 1.00 0.61 C ATOM 135 CG GLU A 10 0.580 14.646 14.609 1.00 3.10 C ATOM 136 CD GLU A 10 0.215 13.138 14.468 1.00 3.69 C ATOM 137 OE1 GLU A 10 -0.110 12.486 15.448 1.00 3.12 O ATOM 138 OE2 GLU A 10 0.246 12.638 13.343 1.00 4.85 O ATOM 0 H GLU A 10 3.223 15.295 15.068 1.00 0.15 H new ATOM 0 HA GLU A 10 1.165 17.235 15.678 1.00 0.31 H new ATOM 0 HB2 GLU A 10 1.585 14.314 16.533 1.00 0.61 H new ATOM 0 HB3 GLU A 10 0.079 15.200 16.674 1.00 0.61 H new ATOM 0 HG2 GLU A 10 -0.271 15.243 14.281 1.00 3.10 H new ATOM 0 HG3 GLU A 10 1.406 14.870 13.934 1.00 3.10 H new ATOM 145 N GLU A 11 3.052 16.045 18.065 1.00 0.18 N ATOM 146 CA GLU A 11 3.610 16.169 19.426 1.00 0.21 C ATOM 147 C GLU A 11 4.349 17.498 19.629 1.00 0.08 C ATOM 148 O GLU A 11 4.072 18.244 20.546 1.00 0.15 O ATOM 149 CB GLU A 11 4.516 14.950 19.571 1.00 0.40 C ATOM 150 CG GLU A 11 3.783 13.729 20.217 1.00 0.24 C ATOM 151 CD GLU A 11 2.520 13.172 19.538 1.00 2.35 C ATOM 152 OE1 GLU A 11 1.839 13.877 18.828 1.00 4.05 O ATOM 153 OE2 GLU A 11 2.310 12.008 19.821 1.00 2.89 O ATOM 0 H GLU A 11 3.439 15.258 17.544 1.00 0.18 H new ATOM 0 HA GLU A 11 2.838 16.187 20.195 1.00 0.21 H new ATOM 0 HB2 GLU A 11 4.894 14.664 18.589 1.00 0.40 H new ATOM 0 HB3 GLU A 11 5.380 15.215 20.181 1.00 0.40 H new ATOM 0 HG2 GLU A 11 4.503 12.914 20.291 1.00 0.24 H new ATOM 0 HG3 GLU A 11 3.513 14.009 21.235 1.00 0.24 H new ATOM 160 N VAL A 12 5.287 17.765 18.763 1.00 0.19 N ATOM 161 CA VAL A 12 6.083 19.025 18.852 1.00 0.14 C ATOM 162 C VAL A 12 5.134 20.207 18.893 1.00 0.15 C ATOM 163 O VAL A 12 5.276 21.075 19.733 1.00 0.22 O ATOM 164 CB VAL A 12 7.046 19.087 17.635 1.00 0.14 C ATOM 165 CG1 VAL A 12 6.615 20.012 16.479 1.00 0.15 C ATOM 166 CG2 VAL A 12 8.400 19.568 18.156 1.00 0.08 C ATOM 0 H VAL A 12 5.540 17.155 17.985 1.00 0.19 H new ATOM 0 HA VAL A 12 6.683 19.052 19.761 1.00 0.14 H new ATOM 0 HB VAL A 12 7.062 18.085 17.206 1.00 0.14 H new ATOM 0 HG11 VAL A 12 7.362 19.976 15.686 1.00 0.15 H new ATOM 0 HG12 VAL A 12 5.653 19.681 16.087 1.00 0.15 H new ATOM 0 HG13 VAL A 12 6.525 21.035 16.846 1.00 0.15 H new ATOM 0 HG21 VAL A 12 9.108 19.626 17.329 1.00 0.08 H new ATOM 0 HG22 VAL A 12 8.287 20.554 18.607 1.00 0.08 H new ATOM 0 HG23 VAL A 12 8.772 18.868 18.904 1.00 0.08 H new ATOM 176 N LYS A 13 4.179 20.232 17.993 1.00 0.18 N ATOM 177 CA LYS A 13 3.212 21.388 18.015 1.00 0.35 C ATOM 178 C LYS A 13 2.437 21.545 19.368 1.00 0.25 C ATOM 179 O LYS A 13 1.641 22.446 19.524 1.00 0.24 O ATOM 180 CB LYS A 13 2.231 21.193 16.830 1.00 0.56 C ATOM 181 CG LYS A 13 3.010 21.465 15.508 1.00 2.24 C ATOM 182 CD LYS A 13 2.032 21.543 14.299 1.00 2.75 C ATOM 183 CE LYS A 13 1.404 20.179 13.974 1.00 4.04 C ATOM 184 NZ LYS A 13 2.481 19.232 13.526 1.00 6.33 N ATOM 0 H LYS A 13 4.025 19.532 17.267 1.00 0.18 H new ATOM 0 HA LYS A 13 3.779 22.314 17.916 1.00 0.35 H new ATOM 0 HB2 LYS A 13 1.827 20.181 16.833 1.00 0.56 H new ATOM 0 HB3 LYS A 13 1.385 21.874 16.920 1.00 0.56 H new ATOM 0 HG2 LYS A 13 3.566 22.399 15.593 1.00 2.24 H new ATOM 0 HG3 LYS A 13 3.740 20.673 15.341 1.00 2.24 H new ATOM 0 HD2 LYS A 13 1.243 22.262 14.518 1.00 2.75 H new ATOM 0 HD3 LYS A 13 2.567 21.913 13.424 1.00 2.75 H new ATOM 0 HE2 LYS A 13 0.896 19.781 14.852 1.00 4.04 H new ATOM 0 HE3 LYS A 13 0.652 20.289 13.193 1.00 4.04 H new ATOM 0 HZ1 LYS A 13 2.063 18.302 13.321 1.00 6.33 H new ATOM 0 HZ2 LYS A 13 2.935 19.604 12.668 1.00 6.33 H new ATOM 0 HZ3 LYS A 13 3.192 19.133 14.279 1.00 6.33 H new ATOM 198 N HIS A 14 2.709 20.659 20.288 1.00 0.17 N ATOM 199 CA HIS A 14 2.097 20.617 21.655 1.00 0.14 C ATOM 200 C HIS A 14 3.194 20.554 22.739 1.00 0.26 C ATOM 201 O HIS A 14 2.896 20.242 23.874 1.00 0.41 O ATOM 202 CB HIS A 14 1.210 19.363 21.833 1.00 0.44 C ATOM 203 CG HIS A 14 -0.054 19.453 21.023 1.00 0.49 C ATOM 204 ND1 HIS A 14 -0.200 18.961 19.846 1.00 0.38 N ATOM 205 CD2 HIS A 14 -1.264 20.035 21.325 1.00 0.72 C ATOM 206 CE1 HIS A 14 -1.411 19.210 19.433 1.00 0.58 C ATOM 207 NE2 HIS A 14 -2.102 19.876 20.323 1.00 0.77 N ATOM 0 H HIS A 14 3.381 19.907 20.134 1.00 0.17 H new ATOM 0 HA HIS A 14 1.498 21.522 21.759 1.00 0.14 H new ATOM 0 HB2 HIS A 14 1.770 18.477 21.535 1.00 0.44 H new ATOM 0 HB3 HIS A 14 0.959 19.242 22.887 1.00 0.44 H new ATOM 0 HD1 HIS A 14 0.515 18.458 19.320 1.00 0.38 H new ATOM 0 HD2 HIS A 14 -1.492 20.547 22.248 1.00 0.72 H new ATOM 0 HE1 HIS A 14 -1.798 18.904 18.472 1.00 0.58 H new ATOM 215 N LEU A 15 4.431 20.843 22.413 1.00 0.56 N ATOM 216 CA LEU A 15 5.473 20.768 23.488 1.00 0.96 C ATOM 217 C LEU A 15 5.097 21.495 24.784 1.00 0.69 C ATOM 218 O LEU A 15 4.737 22.658 24.781 1.00 0.67 O ATOM 219 CB LEU A 15 6.799 21.378 23.009 1.00 1.64 C ATOM 220 CG LEU A 15 7.518 20.484 22.020 1.00 2.04 C ATOM 221 CD1 LEU A 15 8.703 21.266 21.497 1.00 2.75 C ATOM 222 CD2 LEU A 15 8.043 19.209 22.718 1.00 2.49 C ATOM 0 H LEU A 15 4.758 21.118 21.487 1.00 0.56 H new ATOM 0 HA LEU A 15 5.562 19.703 23.700 1.00 0.96 H new ATOM 0 HB2 LEU A 15 6.605 22.346 22.547 1.00 1.64 H new ATOM 0 HB3 LEU A 15 7.445 21.559 23.868 1.00 1.64 H new ATOM 0 HG LEU A 15 6.837 20.188 21.222 1.00 2.04 H new ATOM 0 HD11 LEU A 15 9.252 20.658 20.778 1.00 2.75 H new ATOM 0 HD12 LEU A 15 8.352 22.175 21.009 1.00 2.75 H new ATOM 0 HD13 LEU A 15 9.360 21.529 22.326 1.00 2.75 H new ATOM 0 HD21 LEU A 15 8.556 18.581 21.990 1.00 2.49 H new ATOM 0 HD22 LEU A 15 8.738 19.488 23.510 1.00 2.49 H new ATOM 0 HD23 LEU A 15 7.206 18.658 23.147 1.00 2.49 H new ATOM 234 N LYS A 16 5.199 20.751 25.858 1.00 0.64 N ATOM 235 CA LYS A 16 4.892 21.282 27.230 1.00 0.70 C ATOM 236 C LYS A 16 5.456 22.725 27.389 1.00 0.47 C ATOM 237 O LYS A 16 4.928 23.559 28.097 1.00 0.43 O ATOM 238 CB LYS A 16 5.533 20.308 28.254 1.00 1.05 C ATOM 239 CG LYS A 16 4.458 19.749 29.225 1.00 2.74 C ATOM 240 CD LYS A 16 3.741 20.884 30.029 1.00 1.49 C ATOM 241 CE LYS A 16 4.722 21.696 30.875 1.00 1.08 C ATOM 242 NZ LYS A 16 3.908 22.604 31.758 1.00 1.71 N ATOM 0 H LYS A 16 5.489 19.773 25.844 1.00 0.64 H new ATOM 0 HA LYS A 16 3.816 21.342 27.396 1.00 0.70 H new ATOM 0 HB2 LYS A 16 6.018 19.486 27.728 1.00 1.05 H new ATOM 0 HB3 LYS A 16 6.308 20.825 28.820 1.00 1.05 H new ATOM 0 HG2 LYS A 16 3.718 19.184 28.659 1.00 2.74 H new ATOM 0 HG3 LYS A 16 4.926 19.053 29.921 1.00 2.74 H new ATOM 0 HD2 LYS A 16 3.224 21.548 29.336 1.00 1.49 H new ATOM 0 HD3 LYS A 16 2.981 20.445 30.676 1.00 1.49 H new ATOM 0 HE2 LYS A 16 5.348 21.037 31.476 1.00 1.08 H new ATOM 0 HE3 LYS A 16 5.389 22.277 30.238 1.00 1.08 H new ATOM 0 HZ1 LYS A 16 4.545 23.174 32.350 1.00 1.71 H new ATOM 0 HZ2 LYS A 16 3.328 23.234 31.168 1.00 1.71 H new ATOM 0 HZ3 LYS A 16 3.288 22.032 32.367 1.00 1.71 H new ATOM 256 N THR A 17 6.551 22.915 26.698 1.00 0.43 N ATOM 257 CA THR A 17 7.289 24.224 26.676 1.00 0.56 C ATOM 258 C THR A 17 7.520 24.771 25.250 1.00 0.78 C ATOM 259 O THR A 17 7.321 24.132 24.234 1.00 0.91 O ATOM 260 CB THR A 17 8.640 24.026 27.386 1.00 0.96 C ATOM 261 OG1 THR A 17 8.301 23.582 28.685 1.00 1.28 O ATOM 262 CG2 THR A 17 9.386 25.311 27.756 1.00 1.51 C ATOM 0 H THR A 17 6.983 22.190 26.125 1.00 0.43 H new ATOM 0 HA THR A 17 6.674 24.964 27.189 1.00 0.56 H new ATOM 0 HB THR A 17 9.240 23.404 26.721 1.00 0.96 H new ATOM 0 HG1 THR A 17 9.119 23.431 29.203 1.00 1.28 H new ATOM 0 HG21 THR A 17 10.324 25.058 28.251 1.00 1.51 H new ATOM 0 HG22 THR A 17 9.595 25.883 26.852 1.00 1.51 H new ATOM 0 HG23 THR A 17 8.771 25.908 28.429 1.00 1.51 H new ATOM 270 N LYS A 18 7.972 25.992 25.262 1.00 1.17 N ATOM 271 CA LYS A 18 8.288 26.784 24.035 1.00 1.72 C ATOM 272 C LYS A 18 9.842 26.730 23.773 1.00 1.95 C ATOM 273 O LYS A 18 10.565 27.535 24.343 1.00 2.01 O ATOM 274 CB LYS A 18 7.723 28.231 24.299 1.00 2.05 C ATOM 275 CG LYS A 18 8.431 28.973 25.474 1.00 3.73 C ATOM 276 CD LYS A 18 9.234 30.180 24.887 1.00 4.60 C ATOM 277 CE LYS A 18 10.249 30.712 25.899 1.00 4.81 C ATOM 278 NZ LYS A 18 11.281 29.641 26.078 1.00 5.09 N ATOM 0 H LYS A 18 8.146 26.505 26.126 1.00 1.17 H new ATOM 0 HA LYS A 18 7.829 26.393 23.127 1.00 1.72 H new ATOM 0 HB2 LYS A 18 7.827 28.824 23.390 1.00 2.05 H new ATOM 0 HB3 LYS A 18 6.657 28.162 24.514 1.00 2.05 H new ATOM 0 HG2 LYS A 18 7.696 29.324 26.198 1.00 3.73 H new ATOM 0 HG3 LYS A 18 9.100 28.294 26.002 1.00 3.73 H new ATOM 0 HD2 LYS A 18 9.750 29.870 23.979 1.00 4.60 H new ATOM 0 HD3 LYS A 18 8.545 30.976 24.606 1.00 4.60 H new ATOM 0 HE2 LYS A 18 10.706 31.634 25.540 1.00 4.81 H new ATOM 0 HE3 LYS A 18 9.764 30.945 26.847 1.00 4.81 H new ATOM 0 HZ1 LYS A 18 11.255 29.295 27.058 1.00 5.09 H new ATOM 0 HZ2 LYS A 18 11.081 28.854 25.428 1.00 5.09 H new ATOM 0 HZ3 LYS A 18 12.224 30.029 25.873 1.00 5.09 H new ATOM 292 N PRO A 19 10.305 25.789 22.964 1.00 2.06 N ATOM 293 CA PRO A 19 11.766 25.614 22.620 1.00 2.17 C ATOM 294 C PRO A 19 12.480 26.808 21.897 1.00 1.77 C ATOM 295 O PRO A 19 11.993 27.922 21.858 1.00 2.22 O ATOM 296 CB PRO A 19 11.763 24.294 21.806 1.00 2.42 C ATOM 297 CG PRO A 19 10.395 24.354 21.104 1.00 2.20 C ATOM 298 CD PRO A 19 9.473 24.759 22.262 1.00 2.07 C ATOM 0 HA PRO A 19 12.377 25.583 23.522 1.00 2.17 H new ATOM 0 HB2 PRO A 19 12.586 24.253 21.093 1.00 2.42 H new ATOM 0 HB3 PRO A 19 11.854 23.418 22.449 1.00 2.42 H new ATOM 0 HG2 PRO A 19 10.381 25.084 20.294 1.00 2.20 H new ATOM 0 HG3 PRO A 19 10.113 23.394 20.672 1.00 2.20 H new ATOM 0 HD2 PRO A 19 8.527 25.168 21.908 1.00 2.07 H new ATOM 0 HD3 PRO A 19 9.233 23.915 22.909 1.00 2.07 H new ATOM 306 N ALA A 20 13.630 26.514 21.347 1.00 1.04 N ATOM 307 CA ALA A 20 14.461 27.529 20.614 1.00 0.83 C ATOM 308 C ALA A 20 14.334 27.561 19.053 1.00 0.47 C ATOM 309 O ALA A 20 14.062 26.578 18.384 1.00 0.30 O ATOM 310 CB ALA A 20 15.916 27.258 21.047 1.00 0.98 C ATOM 0 H ALA A 20 14.044 25.582 21.375 1.00 1.04 H new ATOM 0 HA ALA A 20 14.092 28.518 20.885 1.00 0.83 H new ATOM 0 HB1 ALA A 20 16.581 27.964 20.550 1.00 0.98 H new ATOM 0 HB2 ALA A 20 16.002 27.377 22.127 1.00 0.98 H new ATOM 0 HB3 ALA A 20 16.194 26.241 20.771 1.00 0.98 H new ATOM 316 N ASP A 21 14.550 28.744 18.545 1.00 0.47 N ATOM 317 CA ASP A 21 14.486 29.017 17.083 1.00 0.40 C ATOM 318 C ASP A 21 15.169 27.904 16.254 1.00 0.38 C ATOM 319 O ASP A 21 14.527 27.241 15.465 1.00 0.30 O ATOM 320 CB ASP A 21 15.135 30.399 16.934 1.00 0.75 C ATOM 321 CG ASP A 21 15.128 30.965 15.518 1.00 1.07 C ATOM 322 OD1 ASP A 21 14.600 30.349 14.614 1.00 1.12 O ATOM 323 OD2 ASP A 21 15.669 32.050 15.444 1.00 1.32 O ATOM 0 H ASP A 21 14.777 29.563 19.108 1.00 0.47 H new ATOM 0 HA ASP A 21 13.469 29.019 16.692 1.00 0.40 H new ATOM 0 HB2 ASP A 21 14.619 31.099 17.591 1.00 0.75 H new ATOM 0 HB3 ASP A 21 16.167 30.338 17.280 1.00 0.75 H new ATOM 328 N GLU A 22 16.447 27.729 16.469 1.00 0.51 N ATOM 329 CA GLU A 22 17.245 26.690 15.743 1.00 0.57 C ATOM 330 C GLU A 22 16.543 25.319 15.727 1.00 0.52 C ATOM 331 O GLU A 22 16.605 24.576 14.765 1.00 0.50 O ATOM 332 CB GLU A 22 18.655 26.659 16.442 1.00 0.86 C ATOM 333 CG GLU A 22 19.276 28.127 16.483 1.00 1.13 C ATOM 334 CD GLU A 22 20.728 28.168 17.007 1.00 1.73 C ATOM 335 OE1 GLU A 22 21.589 27.713 16.270 1.00 2.88 O ATOM 336 OE2 GLU A 22 20.905 28.657 18.116 1.00 2.90 O ATOM 0 H GLU A 22 16.988 28.278 17.137 1.00 0.51 H new ATOM 0 HA GLU A 22 17.352 26.938 14.687 1.00 0.57 H new ATOM 0 HB2 GLU A 22 18.559 26.267 17.455 1.00 0.86 H new ATOM 0 HB3 GLU A 22 19.323 25.988 15.902 1.00 0.86 H new ATOM 0 HG2 GLU A 22 19.248 28.553 15.480 1.00 1.13 H new ATOM 0 HG3 GLU A 22 18.652 28.759 17.115 1.00 1.13 H new ATOM 343 N GLU A 23 15.861 24.998 16.792 1.00 0.53 N ATOM 344 CA GLU A 23 15.144 23.683 16.847 1.00 0.58 C ATOM 345 C GLU A 23 13.921 23.832 15.965 1.00 0.52 C ATOM 346 O GLU A 23 13.703 23.020 15.093 1.00 0.62 O ATOM 347 CB GLU A 23 14.758 23.406 18.288 1.00 0.58 C ATOM 348 CG GLU A 23 15.424 22.092 18.737 1.00 1.20 C ATOM 349 CD GLU A 23 16.958 22.155 18.698 1.00 2.40 C ATOM 350 OE1 GLU A 23 17.497 21.998 17.612 1.00 4.80 O ATOM 351 OE2 GLU A 23 17.472 22.365 19.782 1.00 1.83 O ATOM 0 H GLU A 23 15.767 25.582 17.623 1.00 0.53 H new ATOM 0 HA GLU A 23 15.756 22.851 16.500 1.00 0.58 H new ATOM 0 HB2 GLU A 23 15.076 24.228 18.929 1.00 0.58 H new ATOM 0 HB3 GLU A 23 13.675 23.331 18.381 1.00 0.58 H new ATOM 0 HG2 GLU A 23 15.101 21.855 19.751 1.00 1.20 H new ATOM 0 HG3 GLU A 23 15.082 21.280 18.095 1.00 1.20 H new ATOM 358 N MET A 24 13.154 24.860 16.224 1.00 0.37 N ATOM 359 CA MET A 24 11.930 25.091 15.381 1.00 0.37 C ATOM 360 C MET A 24 12.397 24.936 13.906 1.00 0.30 C ATOM 361 O MET A 24 11.696 24.357 13.098 1.00 0.23 O ATOM 362 CB MET A 24 11.369 26.507 15.677 1.00 0.32 C ATOM 363 CG MET A 24 10.631 26.464 17.044 1.00 0.60 C ATOM 364 SD MET A 24 9.674 27.921 17.535 1.00 0.83 S ATOM 365 CE MET A 24 10.416 28.219 19.160 1.00 3.51 C ATOM 0 H MET A 24 13.313 25.541 16.967 1.00 0.37 H new ATOM 0 HA MET A 24 11.126 24.386 15.592 1.00 0.37 H new ATOM 0 HB2 MET A 24 12.178 27.237 15.705 1.00 0.32 H new ATOM 0 HB3 MET A 24 10.686 26.818 14.886 1.00 0.32 H new ATOM 0 HG2 MET A 24 9.956 25.608 17.033 1.00 0.60 H new ATOM 0 HG3 MET A 24 11.373 26.274 17.819 1.00 0.60 H new ATOM 0 HE1 MET A 24 9.985 29.120 19.597 1.00 3.51 H new ATOM 0 HE2 MET A 24 10.218 27.368 19.812 1.00 3.51 H new ATOM 0 HE3 MET A 24 11.493 28.349 19.050 1.00 3.51 H new ATOM 375 N LEU A 25 13.569 25.468 13.626 1.00 0.31 N ATOM 376 CA LEU A 25 14.183 25.405 12.291 1.00 0.25 C ATOM 377 C LEU A 25 14.532 23.933 12.004 1.00 0.23 C ATOM 378 O LEU A 25 14.182 23.458 10.948 1.00 0.21 O ATOM 379 CB LEU A 25 15.430 26.315 12.317 1.00 0.32 C ATOM 380 CG LEU A 25 15.112 27.833 12.354 1.00 0.35 C ATOM 381 CD1 LEU A 25 16.445 28.563 12.229 1.00 0.55 C ATOM 382 CD2 LEU A 25 14.330 28.252 11.137 1.00 0.49 C ATOM 0 H LEU A 25 14.136 25.962 14.315 1.00 0.31 H new ATOM 0 HA LEU A 25 13.521 25.753 11.498 1.00 0.25 H new ATOM 0 HB2 LEU A 25 16.033 26.061 13.189 1.00 0.32 H new ATOM 0 HB3 LEU A 25 16.038 26.104 11.437 1.00 0.32 H new ATOM 0 HG LEU A 25 14.554 28.054 13.264 1.00 0.35 H new ATOM 0 HD11 LEU A 25 16.274 29.639 12.250 1.00 0.55 H new ATOM 0 HD12 LEU A 25 17.093 28.282 13.059 1.00 0.55 H new ATOM 0 HD13 LEU A 25 16.923 28.290 11.288 1.00 0.55 H new ATOM 0 HD21 LEU A 25 14.121 29.320 11.189 1.00 0.49 H new ATOM 0 HD22 LEU A 25 14.911 28.039 10.240 1.00 0.49 H new ATOM 0 HD23 LEU A 25 13.391 27.700 11.100 1.00 0.49 H new ATOM 394 N PHE A 26 15.173 23.233 12.912 1.00 0.27 N ATOM 395 CA PHE A 26 15.535 21.787 12.679 1.00 0.25 C ATOM 396 C PHE A 26 14.229 21.055 12.291 1.00 0.26 C ATOM 397 O PHE A 26 14.135 20.463 11.235 1.00 0.16 O ATOM 398 CB PHE A 26 16.126 21.196 13.979 1.00 0.22 C ATOM 399 CG PHE A 26 16.712 19.804 13.679 1.00 0.28 C ATOM 400 CD1 PHE A 26 15.907 18.685 13.691 1.00 2.28 C ATOM 401 CD2 PHE A 26 18.050 19.652 13.377 1.00 2.50 C ATOM 402 CE1 PHE A 26 16.425 17.441 13.408 1.00 2.32 C ATOM 403 CE2 PHE A 26 18.575 18.406 13.093 1.00 2.49 C ATOM 404 CZ PHE A 26 17.759 17.297 13.109 1.00 0.44 C ATOM 0 H PHE A 26 15.466 23.602 13.816 1.00 0.27 H new ATOM 0 HA PHE A 26 16.279 21.678 11.890 1.00 0.25 H new ATOM 0 HB2 PHE A 26 16.901 21.853 14.372 1.00 0.22 H new ATOM 0 HB3 PHE A 26 15.353 21.122 14.744 1.00 0.22 H new ATOM 0 HD1 PHE A 26 14.857 18.785 13.925 1.00 2.28 H new ATOM 0 HD2 PHE A 26 18.695 20.518 13.362 1.00 2.50 H new ATOM 0 HE1 PHE A 26 15.780 16.575 13.421 1.00 2.32 H new ATOM 0 HE2 PHE A 26 19.624 18.302 12.859 1.00 2.49 H new ATOM 0 HZ PHE A 26 18.164 16.321 12.888 1.00 0.44 H new ATOM 414 N ILE A 27 13.265 21.147 13.176 1.00 0.39 N ATOM 415 CA ILE A 27 11.918 20.515 12.977 1.00 0.45 C ATOM 416 C ILE A 27 11.447 21.079 11.623 1.00 0.43 C ATOM 417 O ILE A 27 11.573 20.423 10.622 1.00 0.39 O ATOM 418 CB ILE A 27 10.998 20.963 14.160 1.00 0.50 C ATOM 419 CG1 ILE A 27 11.225 20.137 15.466 1.00 0.64 C ATOM 420 CG2 ILE A 27 9.507 20.759 13.831 1.00 0.77 C ATOM 421 CD1 ILE A 27 12.699 20.038 15.862 1.00 0.64 C ATOM 0 H ILE A 27 13.359 21.651 14.058 1.00 0.39 H new ATOM 0 HA ILE A 27 11.915 19.425 12.967 1.00 0.45 H new ATOM 0 HB ILE A 27 11.257 22.011 14.308 1.00 0.50 H new ATOM 0 HG12 ILE A 27 10.666 20.596 16.281 1.00 0.64 H new ATOM 0 HG13 ILE A 27 10.823 19.133 15.329 1.00 0.64 H new ATOM 0 HG21 ILE A 27 8.900 21.082 14.677 1.00 0.77 H new ATOM 0 HG22 ILE A 27 9.245 21.347 12.951 1.00 0.77 H new ATOM 0 HG23 ILE A 27 9.319 19.704 13.632 1.00 0.77 H new ATOM 0 HD11 ILE A 27 12.791 19.452 16.777 1.00 0.64 H new ATOM 0 HD12 ILE A 27 13.259 19.553 15.062 1.00 0.64 H new ATOM 0 HD13 ILE A 27 13.099 21.038 16.030 1.00 0.64 H new ATOM 433 N TYR A 28 10.904 22.264 11.626 1.00 0.47 N ATOM 434 CA TYR A 28 10.419 22.933 10.370 1.00 0.48 C ATOM 435 C TYR A 28 11.105 22.438 9.069 1.00 0.40 C ATOM 436 O TYR A 28 10.474 21.949 8.147 1.00 0.45 O ATOM 437 CB TYR A 28 10.631 24.444 10.527 1.00 0.59 C ATOM 438 CG TYR A 28 9.989 25.097 9.312 1.00 0.62 C ATOM 439 CD1 TYR A 28 8.633 25.354 9.328 1.00 0.68 C ATOM 440 CD2 TYR A 28 10.733 25.402 8.187 1.00 0.70 C ATOM 441 CE1 TYR A 28 8.030 25.906 8.225 1.00 0.68 C ATOM 442 CE2 TYR A 28 10.120 25.953 7.091 1.00 0.78 C ATOM 443 CZ TYR A 28 8.771 26.202 7.111 1.00 0.74 C ATOM 444 OH TYR A 28 8.142 26.736 6.018 1.00 0.82 O ATOM 0 H TYR A 28 10.769 22.820 12.471 1.00 0.47 H new ATOM 0 HA TYR A 28 9.366 22.675 10.254 1.00 0.48 H new ATOM 0 HB2 TYR A 28 10.175 24.806 11.449 1.00 0.59 H new ATOM 0 HB3 TYR A 28 11.693 24.684 10.581 1.00 0.59 H new ATOM 0 HD1 TYR A 28 8.048 25.122 10.206 1.00 0.68 H new ATOM 0 HD2 TYR A 28 11.795 25.207 8.172 1.00 0.70 H new ATOM 0 HE1 TYR A 28 6.969 26.107 8.235 1.00 0.68 H new ATOM 0 HE2 TYR A 28 10.700 26.191 6.211 1.00 0.78 H new ATOM 0 HH TYR A 28 8.798 26.893 5.307 1.00 0.82 H new ATOM 454 N SER A 29 12.405 22.562 9.026 1.00 0.31 N ATOM 455 CA SER A 29 13.236 22.140 7.854 1.00 0.29 C ATOM 456 C SER A 29 13.041 20.660 7.539 1.00 0.28 C ATOM 457 O SER A 29 12.674 20.271 6.443 1.00 0.30 O ATOM 458 CB SER A 29 14.717 22.456 8.221 1.00 0.24 C ATOM 459 OG SER A 29 15.044 21.591 9.304 1.00 0.26 O ATOM 0 H SER A 29 12.951 22.957 9.791 1.00 0.31 H new ATOM 0 HA SER A 29 12.939 22.678 6.954 1.00 0.29 H new ATOM 0 HB2 SER A 29 15.376 22.283 7.370 1.00 0.24 H new ATOM 0 HB3 SER A 29 14.834 23.501 8.507 1.00 0.24 H new ATOM 0 HG SER A 29 14.519 21.841 10.093 1.00 0.26 H new ATOM 465 N HIS A 30 13.292 19.859 8.529 1.00 0.25 N ATOM 466 CA HIS A 30 13.150 18.389 8.388 1.00 0.23 C ATOM 467 C HIS A 30 11.676 18.054 8.141 1.00 0.23 C ATOM 468 O HIS A 30 11.373 17.037 7.557 1.00 0.44 O ATOM 469 CB HIS A 30 13.702 17.773 9.676 1.00 0.20 C ATOM 470 CG HIS A 30 15.218 17.931 9.734 1.00 0.23 C ATOM 471 ND1 HIS A 30 15.865 19.043 9.817 1.00 0.22 N ATOM 472 CD2 HIS A 30 16.200 16.965 9.717 1.00 0.28 C ATOM 473 CE1 HIS A 30 17.140 18.805 9.850 1.00 0.27 C ATOM 474 NE2 HIS A 30 17.391 17.520 9.791 1.00 0.31 N ATOM 0 H HIS A 30 13.597 20.169 9.452 1.00 0.25 H new ATOM 0 HA HIS A 30 13.703 17.985 7.540 1.00 0.23 H new ATOM 0 HB2 HIS A 30 13.246 18.255 10.541 1.00 0.20 H new ATOM 0 HB3 HIS A 30 13.438 16.717 9.724 1.00 0.20 H new ATOM 0 HD1 HIS A 30 15.439 19.969 9.851 1.00 0.22 H new ATOM 0 HD2 HIS A 30 16.018 15.902 9.652 1.00 0.28 H new ATOM 0 HE1 HIS A 30 17.899 19.570 9.918 1.00 0.27 H new ATOM 482 N TYR A 31 10.788 18.899 8.583 1.00 0.22 N ATOM 483 CA TYR A 31 9.348 18.620 8.355 1.00 0.25 C ATOM 484 C TYR A 31 9.094 18.848 6.864 1.00 0.26 C ATOM 485 O TYR A 31 8.473 18.030 6.211 1.00 0.18 O ATOM 486 CB TYR A 31 8.439 19.581 9.144 1.00 0.31 C ATOM 487 CG TYR A 31 7.016 19.020 8.994 1.00 0.23 C ATOM 488 CD1 TYR A 31 6.589 17.955 9.774 1.00 0.18 C ATOM 489 CD2 TYR A 31 6.152 19.551 8.055 1.00 0.36 C ATOM 490 CE1 TYR A 31 5.325 17.424 9.619 1.00 0.35 C ATOM 491 CE2 TYR A 31 4.885 19.010 7.909 1.00 0.50 C ATOM 492 CZ TYR A 31 4.471 17.951 8.683 1.00 0.51 C ATOM 493 OH TYR A 31 3.212 17.426 8.501 1.00 0.77 O ATOM 0 H TYR A 31 10.996 19.761 9.087 1.00 0.22 H new ATOM 0 HA TYR A 31 9.122 17.605 8.681 1.00 0.25 H new ATOM 0 HB2 TYR A 31 8.734 19.627 10.192 1.00 0.31 H new ATOM 0 HB3 TYR A 31 8.504 20.595 8.749 1.00 0.31 H new ATOM 0 HD1 TYR A 31 7.256 17.536 10.513 1.00 0.18 H new ATOM 0 HD2 TYR A 31 6.462 20.382 7.439 1.00 0.36 H new ATOM 0 HE1 TYR A 31 5.008 16.594 10.234 1.00 0.35 H new ATOM 0 HE2 TYR A 31 4.211 19.427 7.175 1.00 0.50 H new ATOM 0 HH TYR A 31 2.748 17.926 7.797 1.00 0.77 H new ATOM 503 N LYS A 32 9.578 19.949 6.343 1.00 0.34 N ATOM 504 CA LYS A 32 9.326 20.171 4.880 1.00 0.38 C ATOM 505 C LYS A 32 10.069 19.110 4.063 1.00 0.33 C ATOM 506 O LYS A 32 9.491 18.570 3.143 1.00 0.42 O ATOM 507 CB LYS A 32 9.794 21.565 4.437 1.00 0.50 C ATOM 508 CG LYS A 32 9.054 22.705 5.142 1.00 0.28 C ATOM 509 CD LYS A 32 7.506 22.521 5.104 1.00 0.56 C ATOM 510 CE LYS A 32 6.907 23.768 5.717 1.00 0.81 C ATOM 511 NZ LYS A 32 5.409 23.686 5.742 1.00 1.45 N ATOM 0 H LYS A 32 10.109 20.670 6.832 1.00 0.34 H new ATOM 0 HA LYS A 32 8.252 20.096 4.709 1.00 0.38 H new ATOM 0 HB2 LYS A 32 10.862 21.660 4.630 1.00 0.50 H new ATOM 0 HB3 LYS A 32 9.655 21.662 3.360 1.00 0.50 H new ATOM 0 HG2 LYS A 32 9.385 22.763 6.179 1.00 0.28 H new ATOM 0 HG3 LYS A 32 9.316 23.652 4.670 1.00 0.28 H new ATOM 0 HD2 LYS A 32 7.157 22.387 4.080 1.00 0.56 H new ATOM 0 HD3 LYS A 32 7.208 21.633 5.662 1.00 0.56 H new ATOM 0 HE2 LYS A 32 7.285 23.897 6.731 1.00 0.81 H new ATOM 0 HE3 LYS A 32 7.218 24.644 5.147 1.00 0.81 H new ATOM 0 HZ1 LYS A 32 5.021 24.552 6.167 1.00 1.45 H new ATOM 0 HZ2 LYS A 32 5.051 23.586 4.771 1.00 1.45 H new ATOM 0 HZ3 LYS A 32 5.116 22.863 6.306 1.00 1.45 H new ATOM 525 N GLN A 33 11.309 18.816 4.367 1.00 0.30 N ATOM 526 CA GLN A 33 11.986 17.748 3.534 1.00 0.21 C ATOM 527 C GLN A 33 11.246 16.392 3.736 1.00 0.22 C ATOM 528 O GLN A 33 10.977 15.673 2.797 1.00 0.33 O ATOM 529 CB GLN A 33 13.459 17.608 3.955 1.00 0.30 C ATOM 530 CG GLN A 33 14.143 16.528 3.054 1.00 1.42 C ATOM 531 CD GLN A 33 14.054 16.859 1.553 1.00 0.45 C ATOM 532 OE1 GLN A 33 13.217 16.413 0.797 1.00 1.90 O ATOM 533 NE2 GLN A 33 14.904 17.666 1.024 1.00 1.43 N ATOM 0 H GLN A 33 11.865 19.236 5.111 1.00 0.30 H new ATOM 0 HA GLN A 33 11.947 18.031 2.482 1.00 0.21 H new ATOM 0 HB2 GLN A 33 13.973 18.564 3.853 1.00 0.30 H new ATOM 0 HB3 GLN A 33 13.525 17.321 5.004 1.00 0.30 H new ATOM 0 HG2 GLN A 33 15.191 16.434 3.339 1.00 1.42 H new ATOM 0 HG3 GLN A 33 13.675 15.560 3.236 1.00 1.42 H new ATOM 0 HE21 GLN A 33 15.638 18.082 1.598 1.00 1.43 H new ATOM 0 HE22 GLN A 33 14.844 17.891 0.031 1.00 1.43 H new ATOM 542 N ALA A 34 10.921 16.049 4.958 1.00 0.15 N ATOM 543 CA ALA A 34 10.202 14.765 5.220 1.00 0.13 C ATOM 544 C ALA A 34 8.853 14.699 4.445 1.00 0.11 C ATOM 545 O ALA A 34 8.499 13.645 3.955 1.00 0.12 O ATOM 546 CB ALA A 34 9.990 14.682 6.730 1.00 0.22 C ATOM 0 H ALA A 34 11.124 16.606 5.788 1.00 0.15 H new ATOM 0 HA ALA A 34 10.786 13.915 4.868 1.00 0.13 H new ATOM 0 HB1 ALA A 34 9.466 13.758 6.974 1.00 0.22 H new ATOM 0 HB2 ALA A 34 10.956 14.695 7.234 1.00 0.22 H new ATOM 0 HB3 ALA A 34 9.396 15.534 7.061 1.00 0.22 H new ATOM 552 N THR A 35 8.154 15.814 4.363 1.00 0.26 N ATOM 553 CA THR A 35 6.813 15.876 3.633 1.00 0.39 C ATOM 554 C THR A 35 6.731 16.501 2.238 1.00 0.49 C ATOM 555 O THR A 35 6.234 15.886 1.317 1.00 0.88 O ATOM 556 CB THR A 35 5.766 16.649 4.452 1.00 0.63 C ATOM 557 OG1 THR A 35 6.296 17.953 4.566 1.00 0.71 O ATOM 558 CG2 THR A 35 5.726 16.199 5.879 1.00 0.69 C ATOM 0 H THR A 35 8.450 16.700 4.772 1.00 0.26 H new ATOM 0 HA THR A 35 6.637 14.807 3.511 1.00 0.39 H new ATOM 0 HB THR A 35 4.791 16.535 3.977 1.00 0.63 H new ATOM 0 HG1 THR A 35 7.011 17.958 5.236 1.00 0.71 H new ATOM 0 HG21 THR A 35 4.973 16.772 6.420 1.00 0.69 H new ATOM 0 HG22 THR A 35 5.474 15.139 5.919 1.00 0.69 H new ATOM 0 HG23 THR A 35 6.702 16.358 6.338 1.00 0.69 H new ATOM 566 N VAL A 36 7.217 17.696 2.132 1.00 0.38 N ATOM 567 CA VAL A 36 7.215 18.473 0.835 1.00 0.38 C ATOM 568 C VAL A 36 8.342 18.061 -0.127 1.00 0.37 C ATOM 569 O VAL A 36 8.110 17.813 -1.298 1.00 0.37 O ATOM 570 CB VAL A 36 7.339 20.003 1.177 1.00 0.43 C ATOM 571 CG1 VAL A 36 7.332 20.864 -0.131 1.00 0.44 C ATOM 572 CG2 VAL A 36 6.150 20.441 2.073 1.00 0.38 C ATOM 0 H VAL A 36 7.636 18.201 2.913 1.00 0.38 H new ATOM 0 HA VAL A 36 6.281 18.253 0.318 1.00 0.38 H new ATOM 0 HB VAL A 36 8.280 20.159 1.704 1.00 0.43 H new ATOM 0 HG11 VAL A 36 7.419 21.919 0.128 1.00 0.44 H new ATOM 0 HG12 VAL A 36 8.173 20.575 -0.762 1.00 0.44 H new ATOM 0 HG13 VAL A 36 6.400 20.698 -0.671 1.00 0.44 H new ATOM 0 HG21 VAL A 36 6.242 21.502 2.306 1.00 0.38 H new ATOM 0 HG22 VAL A 36 5.213 20.265 1.545 1.00 0.38 H new ATOM 0 HG23 VAL A 36 6.159 19.864 2.998 1.00 0.38 H new ATOM 582 N GLY A 37 9.527 17.993 0.412 1.00 0.45 N ATOM 583 CA GLY A 37 10.755 17.611 -0.366 1.00 0.45 C ATOM 584 C GLY A 37 11.865 18.668 -0.255 1.00 0.26 C ATOM 585 O GLY A 37 11.986 19.389 0.726 1.00 0.23 O ATOM 0 H GLY A 37 9.708 18.193 1.396 1.00 0.45 H new ATOM 0 HA2 GLY A 37 11.130 16.654 -0.003 1.00 0.45 H new ATOM 0 HA3 GLY A 37 10.490 17.473 -1.414 1.00 0.45 H new ATOM 589 N ASP A 38 12.673 18.719 -1.283 1.00 0.32 N ATOM 590 CA ASP A 38 13.775 19.694 -1.299 1.00 0.38 C ATOM 591 C ASP A 38 13.107 21.046 -1.567 1.00 0.29 C ATOM 592 O ASP A 38 12.164 21.168 -2.325 1.00 0.27 O ATOM 593 CB ASP A 38 14.714 19.241 -2.415 1.00 0.84 C ATOM 594 CG ASP A 38 14.931 17.746 -2.325 1.00 0.76 C ATOM 595 OD1 ASP A 38 15.821 17.357 -1.592 1.00 2.30 O ATOM 596 OD2 ASP A 38 14.148 17.111 -3.006 1.00 1.47 O ATOM 0 H ASP A 38 12.607 18.122 -2.107 1.00 0.32 H new ATOM 0 HA ASP A 38 14.359 19.772 -0.382 1.00 0.38 H new ATOM 0 HB2 ASP A 38 14.291 19.499 -3.386 1.00 0.84 H new ATOM 0 HB3 ASP A 38 15.668 19.762 -2.334 1.00 0.84 H new ATOM 601 N ILE A 39 13.627 22.039 -0.916 1.00 0.52 N ATOM 602 CA ILE A 39 13.078 23.411 -1.077 1.00 0.58 C ATOM 603 C ILE A 39 12.920 23.863 -2.552 1.00 1.09 C ATOM 604 O ILE A 39 13.856 24.172 -3.263 1.00 1.49 O ATOM 605 CB ILE A 39 14.022 24.263 -0.226 1.00 0.35 C ATOM 606 CG1 ILE A 39 13.231 25.531 0.118 1.00 0.14 C ATOM 607 CG2 ILE A 39 15.389 24.517 -0.946 1.00 0.85 C ATOM 608 CD1 ILE A 39 13.907 26.166 1.343 1.00 0.41 C ATOM 0 H ILE A 39 14.415 21.962 -0.273 1.00 0.52 H new ATOM 0 HA ILE A 39 12.044 23.498 -0.742 1.00 0.58 H new ATOM 0 HB ILE A 39 14.324 23.761 0.693 1.00 0.35 H new ATOM 0 HG12 ILE A 39 13.229 26.224 -0.723 1.00 0.14 H new ATOM 0 HG13 ILE A 39 12.190 25.289 0.334 1.00 0.14 H new ATOM 0 HG21 ILE A 39 16.029 25.126 -0.307 1.00 0.85 H new ATOM 0 HG22 ILE A 39 15.878 23.563 -1.146 1.00 0.85 H new ATOM 0 HG23 ILE A 39 15.213 25.039 -1.887 1.00 0.85 H new ATOM 0 HD11 ILE A 39 13.374 27.075 1.623 1.00 0.41 H new ATOM 0 HD12 ILE A 39 13.886 25.463 2.175 1.00 0.41 H new ATOM 0 HD13 ILE A 39 14.941 26.412 1.101 1.00 0.41 H new ATOM 620 N ASN A 40 11.695 23.888 -2.991 1.00 1.36 N ATOM 621 CA ASN A 40 11.392 24.308 -4.409 1.00 1.88 C ATOM 622 C ASN A 40 10.311 25.406 -4.372 1.00 1.59 C ATOM 623 O ASN A 40 9.570 25.671 -5.298 1.00 1.70 O ATOM 624 CB ASN A 40 10.957 23.012 -5.152 1.00 2.94 C ATOM 625 CG ASN A 40 9.691 22.389 -4.566 1.00 0.87 C ATOM 626 OD1 ASN A 40 8.583 22.675 -4.949 1.00 0.89 O ATOM 627 ND2 ASN A 40 9.764 21.520 -3.617 1.00 0.55 N ATOM 0 H ASN A 40 10.878 23.636 -2.435 1.00 1.36 H new ATOM 0 HA ASN A 40 12.241 24.742 -4.938 1.00 1.88 H new ATOM 0 HB2 ASN A 40 10.790 23.241 -6.204 1.00 2.94 H new ATOM 0 HB3 ASN A 40 11.768 22.285 -5.109 1.00 2.94 H new ATOM 0 HD21 ASN A 40 8.912 21.114 -3.231 1.00 0.55 H new ATOM 0 HD22 ASN A 40 10.674 21.239 -3.252 1.00 0.55 H new ATOM 634 N THR A 41 10.305 26.018 -3.227 1.00 1.35 N ATOM 635 CA THR A 41 9.371 27.123 -2.879 1.00 1.33 C ATOM 636 C THR A 41 10.092 28.436 -2.520 1.00 0.74 C ATOM 637 O THR A 41 11.006 28.469 -1.722 1.00 0.91 O ATOM 638 CB THR A 41 8.542 26.638 -1.703 1.00 2.13 C ATOM 639 OG1 THR A 41 9.547 26.297 -0.759 1.00 1.76 O ATOM 640 CG2 THR A 41 7.945 25.244 -1.922 1.00 3.00 C ATOM 0 H THR A 41 10.949 25.782 -2.472 1.00 1.35 H new ATOM 0 HA THR A 41 8.755 27.358 -3.747 1.00 1.33 H new ATOM 0 HB THR A 41 7.773 27.377 -1.478 1.00 2.13 H new ATOM 0 HG1 THR A 41 9.293 25.473 -0.294 1.00 1.76 H new ATOM 0 HG21 THR A 41 7.364 24.955 -1.046 1.00 3.00 H new ATOM 0 HG22 THR A 41 7.297 25.259 -2.798 1.00 3.00 H new ATOM 0 HG23 THR A 41 8.749 24.524 -2.078 1.00 3.00 H new ATOM 648 N GLU A 42 9.641 29.482 -3.134 1.00 1.10 N ATOM 649 CA GLU A 42 10.155 30.876 -2.965 1.00 1.19 C ATOM 650 C GLU A 42 10.974 31.432 -1.744 1.00 1.29 C ATOM 651 O GLU A 42 10.439 31.808 -0.719 1.00 1.42 O ATOM 652 CB GLU A 42 8.972 31.782 -3.143 1.00 1.68 C ATOM 653 CG GLU A 42 8.316 31.655 -4.594 1.00 1.12 C ATOM 654 CD GLU A 42 6.934 32.321 -4.683 1.00 3.60 C ATOM 655 OE1 GLU A 42 6.110 31.998 -3.843 1.00 4.62 O ATOM 656 OE2 GLU A 42 6.775 33.113 -5.596 1.00 4.48 O ATOM 0 H GLU A 42 8.873 29.426 -3.803 1.00 1.10 H new ATOM 0 HA GLU A 42 10.968 30.842 -3.690 1.00 1.19 H new ATOM 0 HB2 GLU A 42 8.222 31.548 -2.387 1.00 1.68 H new ATOM 0 HB3 GLU A 42 9.281 32.814 -2.977 1.00 1.68 H new ATOM 0 HG2 GLU A 42 8.981 32.108 -5.329 1.00 1.12 H new ATOM 0 HG3 GLU A 42 8.224 30.601 -4.855 1.00 1.12 H new ATOM 663 N ARG A 43 12.266 31.469 -1.872 1.00 1.28 N ATOM 664 CA ARG A 43 13.168 32.005 -0.799 1.00 1.42 C ATOM 665 C ARG A 43 12.800 33.512 -0.525 1.00 1.62 C ATOM 666 O ARG A 43 12.651 34.219 -1.502 1.00 1.78 O ATOM 667 CB ARG A 43 14.563 31.889 -1.340 1.00 1.37 C ATOM 668 CG ARG A 43 15.516 32.584 -0.385 1.00 1.65 C ATOM 669 CD ARG A 43 16.910 32.349 -0.877 1.00 1.70 C ATOM 670 NE ARG A 43 17.778 32.950 0.174 1.00 2.30 N ATOM 671 CZ ARG A 43 18.066 32.288 1.217 1.00 1.70 C ATOM 672 NH1 ARG A 43 19.035 31.474 1.168 1.00 1.05 N ATOM 673 NH2 ARG A 43 17.318 32.536 2.211 1.00 3.47 N ATOM 0 H ARG A 43 12.759 31.140 -2.702 1.00 1.28 H new ATOM 0 HA ARG A 43 13.069 31.461 0.140 1.00 1.42 H new ATOM 0 HB2 ARG A 43 14.839 30.840 -1.452 1.00 1.37 H new ATOM 0 HB3 ARG A 43 14.623 32.342 -2.330 1.00 1.37 H new ATOM 0 HG2 ARG A 43 15.301 33.652 -0.341 1.00 1.65 H new ATOM 0 HG3 ARG A 43 15.397 32.193 0.625 1.00 1.65 H new ATOM 0 HD2 ARG A 43 17.114 31.285 -1.001 1.00 1.70 H new ATOM 0 HD3 ARG A 43 17.074 32.820 -1.846 1.00 1.70 H new ATOM 0 HE ARG A 43 18.141 33.896 0.055 1.00 2.30 H new ATOM 0 HH11 ARG A 43 19.564 31.362 0.303 1.00 1.05 H new ATOM 0 HH12 ARG A 43 19.286 30.930 1.993 1.00 1.05 H new ATOM 0 HH21 ARG A 43 16.564 33.218 2.125 1.00 3.47 H new ATOM 0 HH22 ARG A 43 17.470 32.053 3.097 1.00 3.47 H new ATOM 687 N PRO A 44 12.677 33.975 0.708 1.00 1.62 N ATOM 688 CA PRO A 44 12.328 35.403 1.000 1.00 1.76 C ATOM 689 C PRO A 44 12.420 36.439 -0.112 1.00 1.84 C ATOM 690 O PRO A 44 11.407 36.939 -0.551 1.00 2.31 O ATOM 691 CB PRO A 44 13.196 35.637 2.235 1.00 1.81 C ATOM 692 CG PRO A 44 12.782 34.375 3.032 1.00 1.94 C ATOM 693 CD PRO A 44 12.877 33.216 1.979 1.00 1.48 C ATOM 0 HA PRO A 44 11.258 35.551 1.145 1.00 1.76 H new ATOM 0 HB2 PRO A 44 14.261 35.665 2.007 1.00 1.81 H new ATOM 0 HB3 PRO A 44 12.956 36.565 2.754 1.00 1.81 H new ATOM 0 HG2 PRO A 44 13.446 34.201 3.878 1.00 1.94 H new ATOM 0 HG3 PRO A 44 11.773 34.469 3.433 1.00 1.94 H new ATOM 0 HD2 PRO A 44 13.841 32.708 2.010 1.00 1.48 H new ATOM 0 HD3 PRO A 44 12.111 32.456 2.131 1.00 1.48 H new ATOM 701 N GLY A 45 13.589 36.769 -0.550 1.00 1.75 N ATOM 702 CA GLY A 45 13.745 37.785 -1.667 1.00 1.85 C ATOM 703 C GLY A 45 13.423 39.252 -1.343 1.00 1.62 C ATOM 704 O GLY A 45 14.215 40.124 -1.633 1.00 1.69 O ATOM 0 H GLY A 45 14.465 36.388 -0.194 1.00 1.75 H new ATOM 0 HA2 GLY A 45 14.774 37.738 -2.023 1.00 1.85 H new ATOM 0 HA3 GLY A 45 13.107 37.476 -2.494 1.00 1.85 H new ATOM 708 N MET A 46 12.278 39.489 -0.766 1.00 1.36 N ATOM 709 CA MET A 46 11.859 40.889 -0.405 1.00 1.02 C ATOM 710 C MET A 46 12.173 41.174 1.079 1.00 0.63 C ATOM 711 O MET A 46 13.052 41.955 1.380 1.00 1.12 O ATOM 712 CB MET A 46 10.341 40.998 -0.716 1.00 1.05 C ATOM 713 CG MET A 46 9.808 42.419 -0.393 1.00 2.90 C ATOM 714 SD MET A 46 8.044 42.714 -0.677 1.00 5.55 S ATOM 715 CE MET A 46 7.387 42.203 0.932 1.00 5.78 C ATOM 0 H MET A 46 11.600 38.767 -0.523 1.00 1.36 H new ATOM 0 HA MET A 46 12.406 41.635 -0.981 1.00 1.02 H new ATOM 0 HB2 MET A 46 10.164 40.770 -1.767 1.00 1.05 H new ATOM 0 HB3 MET A 46 9.793 40.259 -0.132 1.00 1.05 H new ATOM 0 HG2 MET A 46 10.024 42.633 0.654 1.00 2.90 H new ATOM 0 HG3 MET A 46 10.373 43.137 -0.988 1.00 2.90 H new ATOM 0 HE1 MET A 46 6.303 42.320 0.936 1.00 5.78 H new ATOM 0 HE2 MET A 46 7.640 41.158 1.113 1.00 5.78 H new ATOM 0 HE3 MET A 46 7.822 42.823 1.716 1.00 5.78 H new ATOM 725 N LEU A 47 11.449 40.553 1.967 1.00 1.84 N ATOM 726 CA LEU A 47 11.684 40.753 3.439 1.00 1.86 C ATOM 727 C LEU A 47 12.541 39.541 3.861 1.00 2.37 C ATOM 728 O LEU A 47 12.291 38.465 3.359 1.00 3.93 O ATOM 729 CB LEU A 47 10.319 40.748 4.172 1.00 3.15 C ATOM 730 CG LEU A 47 10.500 40.907 5.703 1.00 5.04 C ATOM 731 CD1 LEU A 47 10.994 42.318 6.049 1.00 5.12 C ATOM 732 CD2 LEU A 47 9.150 40.681 6.377 1.00 6.00 C ATOM 0 H LEU A 47 10.694 39.906 1.741 1.00 1.84 H new ATOM 0 HA LEU A 47 12.177 41.696 3.676 1.00 1.86 H new ATOM 0 HB2 LEU A 47 9.697 41.558 3.791 1.00 3.15 H new ATOM 0 HB3 LEU A 47 9.794 39.816 3.961 1.00 3.15 H new ATOM 0 HG LEU A 47 11.236 40.182 6.050 1.00 5.04 H new ATOM 0 HD11 LEU A 47 11.114 42.407 7.129 1.00 5.12 H new ATOM 0 HD12 LEU A 47 11.952 42.498 5.561 1.00 5.12 H new ATOM 0 HD13 LEU A 47 10.267 43.053 5.703 1.00 5.12 H new ATOM 0 HD21 LEU A 47 9.259 40.789 7.456 1.00 6.00 H new ATOM 0 HD22 LEU A 47 8.433 41.415 6.010 1.00 6.00 H new ATOM 0 HD23 LEU A 47 8.792 39.677 6.148 1.00 6.00 H new ATOM 744 N ASP A 48 13.490 39.700 4.741 1.00 1.99 N ATOM 745 CA ASP A 48 14.317 38.523 5.147 1.00 2.94 C ATOM 746 C ASP A 48 13.880 37.982 6.525 1.00 1.85 C ATOM 747 O ASP A 48 13.310 36.902 6.580 1.00 2.87 O ATOM 748 CB ASP A 48 15.791 39.044 5.074 1.00 4.55 C ATOM 749 CG ASP A 48 16.352 38.896 3.642 1.00 5.69 C ATOM 750 OD1 ASP A 48 15.999 37.895 3.043 1.00 5.54 O ATOM 751 OD2 ASP A 48 17.105 39.759 3.241 1.00 6.67 O ATOM 0 H ASP A 48 13.729 40.582 5.194 1.00 1.99 H new ATOM 0 HA ASP A 48 14.198 37.655 4.499 1.00 2.94 H new ATOM 0 HB2 ASP A 48 15.828 40.090 5.378 1.00 4.55 H new ATOM 0 HB3 ASP A 48 16.414 38.487 5.773 1.00 4.55 H new ATOM 756 N PHE A 49 14.169 38.704 7.580 1.00 1.95 N ATOM 757 CA PHE A 49 13.773 38.289 8.970 1.00 1.11 C ATOM 758 C PHE A 49 13.680 36.763 9.312 1.00 1.09 C ATOM 759 O PHE A 49 14.327 35.903 8.732 1.00 1.30 O ATOM 760 CB PHE A 49 12.407 39.050 9.209 1.00 0.66 C ATOM 761 CG PHE A 49 12.615 40.567 9.429 1.00 0.90 C ATOM 762 CD1 PHE A 49 13.124 41.383 8.437 1.00 0.58 C ATOM 763 CD2 PHE A 49 12.285 41.139 10.644 1.00 2.91 C ATOM 764 CE1 PHE A 49 13.299 42.738 8.653 1.00 0.69 C ATOM 765 CE2 PHE A 49 12.459 42.492 10.866 1.00 3.81 C ATOM 766 CZ PHE A 49 12.966 43.294 9.869 1.00 2.65 C ATOM 0 H PHE A 49 14.676 39.588 7.538 1.00 1.95 H new ATOM 0 HA PHE A 49 14.582 38.555 9.651 1.00 1.11 H new ATOM 0 HB2 PHE A 49 11.752 38.895 8.352 1.00 0.66 H new ATOM 0 HB3 PHE A 49 11.903 38.624 10.077 1.00 0.66 H new ATOM 0 HD1 PHE A 49 13.389 40.957 7.480 1.00 0.58 H new ATOM 0 HD2 PHE A 49 11.885 40.518 11.432 1.00 2.91 H new ATOM 0 HE1 PHE A 49 13.698 43.362 7.867 1.00 0.69 H new ATOM 0 HE2 PHE A 49 12.197 42.920 11.822 1.00 3.81 H new ATOM 0 HZ PHE A 49 13.102 44.352 10.039 1.00 2.65 H new ATOM 776 N LYS A 50 12.878 36.453 10.300 1.00 0.95 N ATOM 777 CA LYS A 50 12.703 35.020 10.713 1.00 0.95 C ATOM 778 C LYS A 50 11.957 34.099 9.706 1.00 1.26 C ATOM 779 O LYS A 50 11.250 33.182 10.086 1.00 2.15 O ATOM 780 CB LYS A 50 11.978 35.007 12.083 1.00 1.12 C ATOM 781 CG LYS A 50 12.830 35.809 13.100 1.00 1.06 C ATOM 782 CD LYS A 50 12.675 35.257 14.541 1.00 1.99 C ATOM 783 CE LYS A 50 13.261 33.829 14.669 1.00 4.72 C ATOM 784 NZ LYS A 50 13.673 33.644 16.092 1.00 6.00 N ATOM 0 H LYS A 50 12.336 37.127 10.840 1.00 0.95 H new ATOM 0 HA LYS A 50 13.705 34.593 10.760 1.00 0.95 H new ATOM 0 HB2 LYS A 50 10.985 35.448 11.990 1.00 1.12 H new ATOM 0 HB3 LYS A 50 11.841 33.982 12.429 1.00 1.12 H new ATOM 0 HG2 LYS A 50 13.879 35.770 12.806 1.00 1.06 H new ATOM 0 HG3 LYS A 50 12.532 36.857 13.078 1.00 1.06 H new ATOM 0 HD2 LYS A 50 13.179 35.922 15.242 1.00 1.99 H new ATOM 0 HD3 LYS A 50 11.620 35.244 14.815 1.00 1.99 H new ATOM 0 HE2 LYS A 50 12.520 33.083 14.383 1.00 4.72 H new ATOM 0 HE3 LYS A 50 14.114 33.703 14.002 1.00 4.72 H new ATOM 0 HZ1 LYS A 50 14.669 33.347 16.129 1.00 6.00 H new ATOM 0 HZ2 LYS A 50 13.559 34.541 16.606 1.00 6.00 H new ATOM 0 HZ3 LYS A 50 13.078 32.914 16.534 1.00 6.00 H new ATOM 798 N GLY A 51 12.173 34.402 8.446 1.00 0.86 N ATOM 799 CA GLY A 51 11.605 33.678 7.255 1.00 0.89 C ATOM 800 C GLY A 51 12.881 33.136 6.589 1.00 0.77 C ATOM 801 O GLY A 51 13.044 31.943 6.430 1.00 1.13 O ATOM 0 H GLY A 51 12.768 35.185 8.177 1.00 0.86 H new ATOM 0 HA2 GLY A 51 10.924 32.879 7.547 1.00 0.89 H new ATOM 0 HA3 GLY A 51 11.050 34.345 6.596 1.00 0.89 H new ATOM 805 N LYS A 52 13.728 34.070 6.221 1.00 0.53 N ATOM 806 CA LYS A 52 15.048 33.749 5.574 1.00 0.59 C ATOM 807 C LYS A 52 15.662 32.558 6.330 1.00 0.44 C ATOM 808 O LYS A 52 16.185 31.658 5.708 1.00 0.54 O ATOM 809 CB LYS A 52 15.889 35.044 5.650 1.00 0.84 C ATOM 810 CG LYS A 52 17.215 34.905 4.841 1.00 1.92 C ATOM 811 CD LYS A 52 18.008 36.262 4.950 1.00 1.88 C ATOM 812 CE LYS A 52 19.443 36.088 5.410 1.00 1.37 C ATOM 813 NZ LYS A 52 19.365 35.406 6.738 1.00 2.48 N ATOM 0 H LYS A 52 13.557 35.068 6.345 1.00 0.53 H new ATOM 0 HA LYS A 52 14.977 33.451 4.528 1.00 0.59 H new ATOM 0 HB2 LYS A 52 15.309 35.881 5.261 1.00 0.84 H new ATOM 0 HB3 LYS A 52 16.118 35.272 6.691 1.00 0.84 H new ATOM 0 HG2 LYS A 52 17.814 34.083 5.233 1.00 1.92 H new ATOM 0 HG3 LYS A 52 17.000 34.674 3.798 1.00 1.92 H new ATOM 0 HD2 LYS A 52 18.003 36.756 3.978 1.00 1.88 H new ATOM 0 HD3 LYS A 52 17.489 36.922 5.645 1.00 1.88 H new ATOM 0 HE2 LYS A 52 20.013 35.492 4.697 1.00 1.37 H new ATOM 0 HE3 LYS A 52 19.946 37.051 5.494 1.00 1.37 H new ATOM 0 HZ1 LYS A 52 20.147 35.731 7.342 1.00 2.48 H new ATOM 0 HZ2 LYS A 52 18.458 35.635 7.193 1.00 2.48 H new ATOM 0 HZ3 LYS A 52 19.435 34.377 6.604 1.00 2.48 H new ATOM 827 N ALA A 53 15.562 32.596 7.637 1.00 0.30 N ATOM 828 CA ALA A 53 16.128 31.468 8.444 1.00 0.29 C ATOM 829 C ALA A 53 15.289 30.218 8.089 1.00 0.27 C ATOM 830 O ALA A 53 15.787 29.346 7.414 1.00 0.51 O ATOM 831 CB ALA A 53 16.000 31.840 9.916 1.00 0.30 C ATOM 0 H ALA A 53 15.122 33.344 8.173 1.00 0.30 H new ATOM 0 HA ALA A 53 17.180 31.270 8.237 1.00 0.29 H new ATOM 0 HB1 ALA A 53 16.405 31.036 10.531 1.00 0.30 H new ATOM 0 HB2 ALA A 53 16.554 32.759 10.109 1.00 0.30 H new ATOM 0 HB3 ALA A 53 14.949 31.992 10.163 1.00 0.30 H new ATOM 837 N LYS A 54 14.057 30.129 8.532 1.00 0.35 N ATOM 838 CA LYS A 54 13.183 28.935 8.205 1.00 0.48 C ATOM 839 C LYS A 54 13.448 28.366 6.790 1.00 0.51 C ATOM 840 O LYS A 54 13.626 27.177 6.587 1.00 0.55 O ATOM 841 CB LYS A 54 11.708 29.394 8.345 1.00 0.65 C ATOM 842 CG LYS A 54 11.425 29.841 9.826 1.00 2.72 C ATOM 843 CD LYS A 54 11.158 28.586 10.705 1.00 4.94 C ATOM 844 CE LYS A 54 9.678 28.345 10.965 1.00 6.11 C ATOM 845 NZ LYS A 54 8.899 28.704 9.737 1.00 6.40 N ATOM 0 H LYS A 54 13.607 30.836 9.113 1.00 0.35 H new ATOM 0 HA LYS A 54 13.413 28.123 8.895 1.00 0.48 H new ATOM 0 HB2 LYS A 54 11.509 30.220 7.662 1.00 0.65 H new ATOM 0 HB3 LYS A 54 11.037 28.581 8.067 1.00 0.65 H new ATOM 0 HG2 LYS A 54 12.276 30.398 10.218 1.00 2.72 H new ATOM 0 HG3 LYS A 54 10.565 30.510 9.857 1.00 2.72 H new ATOM 0 HD2 LYS A 54 11.582 27.710 10.215 1.00 4.94 H new ATOM 0 HD3 LYS A 54 11.675 28.700 11.658 1.00 4.94 H new ATOM 0 HE2 LYS A 54 9.507 27.301 11.226 1.00 6.11 H new ATOM 0 HE3 LYS A 54 9.343 28.944 11.811 1.00 6.11 H new ATOM 0 HZ1 LYS A 54 7.962 28.255 9.777 1.00 6.40 H new ATOM 0 HZ2 LYS A 54 8.787 29.737 9.687 1.00 6.40 H new ATOM 0 HZ3 LYS A 54 9.407 28.369 8.893 1.00 6.40 H new ATOM 859 N TRP A 55 13.463 29.272 5.857 1.00 0.54 N ATOM 860 CA TRP A 55 13.698 28.913 4.453 1.00 0.59 C ATOM 861 C TRP A 55 15.057 28.268 4.324 1.00 0.55 C ATOM 862 O TRP A 55 15.173 27.137 3.907 1.00 0.53 O ATOM 863 CB TRP A 55 13.618 30.179 3.603 1.00 0.65 C ATOM 864 CG TRP A 55 13.430 29.683 2.160 1.00 0.73 C ATOM 865 CD1 TRP A 55 12.243 29.401 1.512 1.00 0.80 C ATOM 866 CD2 TRP A 55 14.460 29.412 1.335 1.00 0.71 C ATOM 867 NE1 TRP A 55 12.657 28.970 0.336 1.00 0.81 N ATOM 868 CE2 TRP A 55 13.952 28.946 0.139 1.00 0.77 C ATOM 869 CE3 TRP A 55 15.841 29.512 1.491 1.00 0.68 C ATOM 870 CZ2 TRP A 55 14.770 28.587 -0.906 1.00 0.77 C ATOM 871 CZ3 TRP A 55 16.687 29.150 0.455 1.00 0.70 C ATOM 872 CH2 TRP A 55 16.152 28.690 -0.742 1.00 0.75 C ATOM 0 H TRP A 55 13.318 30.268 6.023 1.00 0.54 H new ATOM 0 HA TRP A 55 12.944 28.205 4.109 1.00 0.59 H new ATOM 0 HB2 TRP A 55 12.786 30.810 3.914 1.00 0.65 H new ATOM 0 HB3 TRP A 55 14.525 30.776 3.699 1.00 0.65 H new ATOM 0 HD1 TRP A 55 11.232 29.507 1.876 1.00 0.80 H new ATOM 0 HE1 TRP A 55 12.001 28.670 -0.385 1.00 0.81 H new ATOM 0 HE3 TRP A 55 16.253 29.873 2.422 1.00 0.68 H new ATOM 0 HZ2 TRP A 55 14.351 28.232 -1.836 1.00 0.77 H new ATOM 0 HZ3 TRP A 55 17.757 29.225 0.577 1.00 0.70 H new ATOM 0 HH2 TRP A 55 16.810 28.410 -1.551 1.00 0.75 H new ATOM 883 N ASP A 56 16.058 28.987 4.707 1.00 0.52 N ATOM 884 CA ASP A 56 17.424 28.386 4.597 1.00 0.53 C ATOM 885 C ASP A 56 17.560 27.075 5.397 1.00 0.54 C ATOM 886 O ASP A 56 18.161 26.130 4.937 1.00 0.56 O ATOM 887 CB ASP A 56 18.444 29.420 5.091 1.00 0.37 C ATOM 888 CG ASP A 56 18.954 30.129 3.890 1.00 0.76 C ATOM 889 OD1 ASP A 56 19.366 29.450 2.956 1.00 2.57 O ATOM 890 OD2 ASP A 56 18.911 31.340 3.937 1.00 1.04 O ATOM 0 H ASP A 56 16.009 29.935 5.081 1.00 0.52 H new ATOM 0 HA ASP A 56 17.606 28.129 3.554 1.00 0.53 H new ATOM 0 HB2 ASP A 56 17.979 30.120 5.785 1.00 0.37 H new ATOM 0 HB3 ASP A 56 19.259 28.933 5.627 1.00 0.37 H new ATOM 895 N ALA A 57 16.981 27.071 6.560 1.00 0.54 N ATOM 896 CA ALA A 57 17.006 25.906 7.459 1.00 0.54 C ATOM 897 C ALA A 57 16.448 24.734 6.644 1.00 0.47 C ATOM 898 O ALA A 57 16.963 23.637 6.700 1.00 0.38 O ATOM 899 CB ALA A 57 16.152 26.281 8.665 1.00 0.55 C ATOM 0 H ALA A 57 16.469 27.870 6.934 1.00 0.54 H new ATOM 0 HA ALA A 57 17.991 25.620 7.827 1.00 0.54 H new ATOM 0 HB1 ALA A 57 16.134 25.450 9.370 1.00 0.55 H new ATOM 0 HB2 ALA A 57 16.575 27.160 9.151 1.00 0.55 H new ATOM 0 HB3 ALA A 57 15.136 26.501 8.337 1.00 0.55 H new ATOM 905 N TRP A 58 15.404 24.973 5.887 1.00 0.50 N ATOM 906 CA TRP A 58 14.854 23.850 5.079 1.00 0.44 C ATOM 907 C TRP A 58 15.812 23.666 3.896 1.00 0.43 C ATOM 908 O TRP A 58 16.163 22.536 3.643 1.00 0.45 O ATOM 909 CB TRP A 58 13.460 24.226 4.644 1.00 0.45 C ATOM 910 CG TRP A 58 12.906 23.163 3.670 1.00 0.36 C ATOM 911 CD1 TRP A 58 13.346 21.871 3.455 1.00 0.40 C ATOM 912 CD2 TRP A 58 11.870 23.415 2.851 1.00 0.25 C ATOM 913 NE1 TRP A 58 12.518 21.466 2.502 1.00 0.27 N ATOM 914 CE2 TRP A 58 11.606 22.309 2.074 1.00 0.24 C ATOM 915 CE3 TRP A 58 11.092 24.553 2.713 1.00 0.29 C ATOM 916 CZ2 TRP A 58 10.578 22.310 1.139 1.00 0.37 C ATOM 917 CZ3 TRP A 58 10.057 24.574 1.793 1.00 0.41 C ATOM 918 CH2 TRP A 58 9.799 23.460 1.002 1.00 0.50 C ATOM 0 H TRP A 58 14.924 25.869 5.797 1.00 0.50 H new ATOM 0 HA TRP A 58 14.780 22.911 5.628 1.00 0.44 H new ATOM 0 HB2 TRP A 58 12.809 24.309 5.514 1.00 0.45 H new ATOM 0 HB3 TRP A 58 13.472 25.203 4.161 1.00 0.45 H new ATOM 0 HD1 TRP A 58 14.150 21.334 3.935 1.00 0.40 H new ATOM 0 HE1 TRP A 58 12.587 20.526 2.112 1.00 0.27 H new ATOM 0 HE3 TRP A 58 11.292 25.422 3.322 1.00 0.29 H new ATOM 0 HZ2 TRP A 58 10.386 21.439 0.531 1.00 0.37 H new ATOM 0 HZ3 TRP A 58 9.448 25.460 1.690 1.00 0.41 H new ATOM 0 HH2 TRP A 58 8.995 23.485 0.281 1.00 0.50 H new ATOM 929 N ASN A 59 16.214 24.703 3.206 1.00 0.41 N ATOM 930 CA ASN A 59 17.166 24.585 2.043 1.00 0.41 C ATOM 931 C ASN A 59 18.280 23.577 2.400 1.00 0.49 C ATOM 932 O ASN A 59 18.574 22.680 1.636 1.00 0.59 O ATOM 933 CB ASN A 59 17.679 26.035 1.782 1.00 0.50 C ATOM 934 CG ASN A 59 18.648 26.248 0.624 1.00 0.49 C ATOM 935 OD1 ASN A 59 18.654 25.568 -0.391 1.00 0.64 O ATOM 936 ND2 ASN A 59 19.497 27.229 0.751 1.00 1.10 N ATOM 0 H ASN A 59 15.916 25.659 3.402 1.00 0.41 H new ATOM 0 HA ASN A 59 16.709 24.198 1.132 1.00 0.41 H new ATOM 0 HB2 ASN A 59 16.811 26.672 1.614 1.00 0.50 H new ATOM 0 HB3 ASN A 59 18.162 26.388 2.693 1.00 0.50 H new ATOM 0 HD21 ASN A 59 20.163 27.427 0.004 1.00 1.10 H new ATOM 0 HD22 ASN A 59 19.495 27.799 1.597 1.00 1.10 H new ATOM 943 N GLU A 60 18.816 23.774 3.571 1.00 0.53 N ATOM 944 CA GLU A 60 19.906 22.941 4.146 1.00 0.65 C ATOM 945 C GLU A 60 19.671 21.400 3.961 1.00 0.71 C ATOM 946 O GLU A 60 20.587 20.603 4.016 1.00 0.94 O ATOM 947 CB GLU A 60 19.995 23.355 5.627 1.00 0.66 C ATOM 948 CG GLU A 60 21.255 22.676 6.216 1.00 0.51 C ATOM 949 CD GLU A 60 21.519 22.981 7.693 1.00 0.66 C ATOM 950 OE1 GLU A 60 20.915 23.878 8.262 1.00 0.56 O ATOM 951 OE2 GLU A 60 22.364 22.256 8.181 1.00 1.83 O ATOM 0 H GLU A 60 18.520 24.529 4.190 1.00 0.53 H new ATOM 0 HA GLU A 60 20.847 23.115 3.624 1.00 0.65 H new ATOM 0 HB2 GLU A 60 20.063 24.439 5.720 1.00 0.66 H new ATOM 0 HB3 GLU A 60 19.101 23.044 6.168 1.00 0.66 H new ATOM 0 HG2 GLU A 60 21.159 21.597 6.094 1.00 0.51 H new ATOM 0 HG3 GLU A 60 22.123 22.987 5.635 1.00 0.51 H new ATOM 958 N LEU A 61 18.440 21.024 3.725 1.00 0.54 N ATOM 959 CA LEU A 61 18.048 19.606 3.529 1.00 0.50 C ATOM 960 C LEU A 61 17.931 19.116 2.079 1.00 0.43 C ATOM 961 O LEU A 61 17.661 17.949 1.878 1.00 0.49 O ATOM 962 CB LEU A 61 16.740 19.426 4.277 1.00 0.61 C ATOM 963 CG LEU A 61 16.995 19.725 5.770 1.00 0.69 C ATOM 964 CD1 LEU A 61 15.663 19.703 6.450 1.00 0.72 C ATOM 965 CD2 LEU A 61 17.869 18.626 6.427 1.00 1.15 C ATOM 0 H LEU A 61 17.660 21.678 3.658 1.00 0.54 H new ATOM 0 HA LEU A 61 18.857 18.985 3.913 1.00 0.50 H new ATOM 0 HB2 LEU A 61 15.979 20.097 3.879 1.00 0.61 H new ATOM 0 HB3 LEU A 61 16.366 18.410 4.151 1.00 0.61 H new ATOM 0 HG LEU A 61 17.508 20.682 5.862 1.00 0.69 H new ATOM 0 HD11 LEU A 61 15.793 19.910 7.512 1.00 0.72 H new ATOM 0 HD12 LEU A 61 15.017 20.462 6.009 1.00 0.72 H new ATOM 0 HD13 LEU A 61 15.207 18.721 6.325 1.00 0.72 H new ATOM 0 HD21 LEU A 61 18.029 18.868 7.478 1.00 1.15 H new ATOM 0 HD22 LEU A 61 17.363 17.664 6.349 1.00 1.15 H new ATOM 0 HD23 LEU A 61 18.831 18.572 5.917 1.00 1.15 H new ATOM 977 N LYS A 62 18.113 19.949 1.086 1.00 0.74 N ATOM 978 CA LYS A 62 18.015 19.466 -0.333 1.00 1.25 C ATOM 979 C LYS A 62 19.064 18.321 -0.445 1.00 1.97 C ATOM 980 O LYS A 62 20.259 18.538 -0.360 1.00 4.09 O ATOM 981 CB LYS A 62 18.308 20.707 -1.193 1.00 1.05 C ATOM 982 CG LYS A 62 18.353 20.395 -2.711 1.00 1.89 C ATOM 983 CD LYS A 62 18.902 21.649 -3.439 1.00 1.87 C ATOM 984 CE LYS A 62 18.031 22.860 -3.101 1.00 2.68 C ATOM 985 NZ LYS A 62 18.624 24.050 -3.781 1.00 2.55 N ATOM 0 H LYS A 62 18.325 20.941 1.192 1.00 0.74 H new ATOM 0 HA LYS A 62 17.056 19.061 -0.656 1.00 1.25 H new ATOM 0 HB2 LYS A 62 17.544 21.461 -1.005 1.00 1.05 H new ATOM 0 HB3 LYS A 62 19.262 21.137 -0.888 1.00 1.05 H new ATOM 0 HG2 LYS A 62 18.990 19.532 -2.904 1.00 1.89 H new ATOM 0 HG3 LYS A 62 17.358 20.145 -3.079 1.00 1.89 H new ATOM 0 HD2 LYS A 62 19.933 21.834 -3.138 1.00 1.87 H new ATOM 0 HD3 LYS A 62 18.909 21.483 -4.516 1.00 1.87 H new ATOM 0 HE2 LYS A 62 17.006 22.699 -3.436 1.00 2.68 H new ATOM 0 HE3 LYS A 62 17.993 23.015 -2.023 1.00 2.68 H new ATOM 0 HZ1 LYS A 62 18.052 24.892 -3.569 1.00 2.55 H new ATOM 0 HZ2 LYS A 62 19.595 24.197 -3.439 1.00 2.55 H new ATOM 0 HZ3 LYS A 62 18.639 23.891 -4.809 1.00 2.55 H new ATOM 999 N GLY A 63 18.567 17.127 -0.649 1.00 1.33 N ATOM 1000 CA GLY A 63 19.473 15.921 -0.753 1.00 1.86 C ATOM 1001 C GLY A 63 19.241 14.942 0.413 1.00 1.80 C ATOM 1002 O GLY A 63 19.667 13.804 0.373 1.00 2.18 O ATOM 0 H GLY A 63 17.572 16.926 -0.749 1.00 1.33 H new ATOM 0 HA2 GLY A 63 19.295 15.411 -1.700 1.00 1.86 H new ATOM 0 HA3 GLY A 63 20.514 16.245 -0.757 1.00 1.86 H new ATOM 1006 N THR A 64 18.572 15.400 1.438 1.00 1.40 N ATOM 1007 CA THR A 64 18.265 14.556 2.639 1.00 1.46 C ATOM 1008 C THR A 64 16.923 13.927 2.266 1.00 1.53 C ATOM 1009 O THR A 64 15.939 14.624 2.105 1.00 2.36 O ATOM 1010 CB THR A 64 18.120 15.448 3.889 1.00 1.40 C ATOM 1011 OG1 THR A 64 19.439 15.885 4.184 1.00 1.38 O ATOM 1012 CG2 THR A 64 17.761 14.622 5.115 1.00 1.44 C ATOM 0 H THR A 64 18.213 16.353 1.497 1.00 1.40 H new ATOM 0 HA THR A 64 19.036 13.823 2.875 1.00 1.46 H new ATOM 0 HB THR A 64 17.374 16.219 3.696 1.00 1.40 H new ATOM 0 HG1 THR A 64 19.423 16.464 4.975 1.00 1.38 H new ATOM 0 HG21 THR A 64 17.666 15.278 5.980 1.00 1.44 H new ATOM 0 HG22 THR A 64 16.815 14.108 4.943 1.00 1.44 H new ATOM 0 HG23 THR A 64 18.545 13.888 5.301 1.00 1.44 H new ATOM 1020 N SER A 65 16.888 12.630 2.137 1.00 0.78 N ATOM 1021 CA SER A 65 15.607 11.939 1.753 1.00 0.83 C ATOM 1022 C SER A 65 14.461 12.198 2.735 1.00 0.80 C ATOM 1023 O SER A 65 14.673 12.518 3.895 1.00 1.14 O ATOM 1024 CB SER A 65 15.855 10.414 1.670 1.00 1.04 C ATOM 1025 OG SER A 65 15.788 9.982 3.023 1.00 3.49 O ATOM 0 H SER A 65 17.687 12.011 2.279 1.00 0.78 H new ATOM 0 HA SER A 65 15.306 12.348 0.788 1.00 0.83 H new ATOM 0 HB2 SER A 65 15.103 9.920 1.055 1.00 1.04 H new ATOM 0 HB3 SER A 65 16.826 10.191 1.227 1.00 1.04 H new ATOM 0 HG SER A 65 16.686 9.997 3.416 1.00 3.49 H new ATOM 1031 N LYS A 66 13.253 12.037 2.241 1.00 0.65 N ATOM 1032 CA LYS A 66 12.079 12.266 3.132 1.00 0.67 C ATOM 1033 C LYS A 66 12.266 11.410 4.384 1.00 0.63 C ATOM 1034 O LYS A 66 11.959 11.853 5.471 1.00 0.73 O ATOM 1035 CB LYS A 66 10.784 11.880 2.384 1.00 0.60 C ATOM 1036 CG LYS A 66 10.685 12.808 1.170 1.00 2.08 C ATOM 1037 CD LYS A 66 9.354 12.579 0.438 1.00 2.13 C ATOM 1038 CE LYS A 66 9.409 13.351 -0.875 1.00 2.18 C ATOM 1039 NZ LYS A 66 10.350 12.621 -1.800 1.00 2.18 N ATOM 0 H LYS A 66 13.037 11.764 1.282 1.00 0.65 H new ATOM 0 HA LYS A 66 12.002 13.315 3.418 1.00 0.67 H new ATOM 0 HB2 LYS A 66 10.814 10.836 2.072 1.00 0.60 H new ATOM 0 HB3 LYS A 66 9.914 11.995 3.031 1.00 0.60 H new ATOM 0 HG2 LYS A 66 10.759 13.847 1.490 1.00 2.08 H new ATOM 0 HG3 LYS A 66 11.518 12.623 0.492 1.00 2.08 H new ATOM 0 HD2 LYS A 66 9.198 11.517 0.251 1.00 2.13 H new ATOM 0 HD3 LYS A 66 8.518 12.921 1.048 1.00 2.13 H new ATOM 0 HE2 LYS A 66 8.416 13.422 -1.318 1.00 2.18 H new ATOM 0 HE3 LYS A 66 9.755 14.370 -0.705 1.00 2.18 H new ATOM 0 HZ1 LYS A 66 10.085 12.812 -2.787 1.00 2.18 H new ATOM 0 HZ2 LYS A 66 11.323 12.948 -1.634 1.00 2.18 H new ATOM 0 HZ3 LYS A 66 10.292 11.599 -1.618 1.00 2.18 H new ATOM 1053 N GLU A 67 12.774 10.223 4.165 1.00 0.50 N ATOM 1054 CA GLU A 67 13.043 9.238 5.229 1.00 0.46 C ATOM 1055 C GLU A 67 14.110 9.806 6.198 1.00 0.24 C ATOM 1056 O GLU A 67 13.890 9.799 7.391 1.00 0.19 O ATOM 1057 CB GLU A 67 13.481 7.939 4.474 1.00 0.60 C ATOM 1058 CG GLU A 67 12.300 7.376 3.551 1.00 0.84 C ATOM 1059 CD GLU A 67 12.684 6.066 2.821 1.00 0.79 C ATOM 1060 OE1 GLU A 67 13.077 5.148 3.525 1.00 2.28 O ATOM 1061 OE2 GLU A 67 12.554 6.052 1.602 1.00 1.99 O ATOM 0 H GLU A 67 13.023 9.891 3.233 1.00 0.50 H new ATOM 0 HA GLU A 67 12.184 9.014 5.861 1.00 0.46 H new ATOM 0 HB2 GLU A 67 14.356 8.151 3.860 1.00 0.60 H new ATOM 0 HB3 GLU A 67 13.775 7.178 5.196 1.00 0.60 H new ATOM 0 HG2 GLU A 67 11.417 7.199 4.165 1.00 0.84 H new ATOM 0 HG3 GLU A 67 12.029 8.132 2.814 1.00 0.84 H new ATOM 1068 N ASP A 68 15.236 10.295 5.737 1.00 0.22 N ATOM 1069 CA ASP A 68 16.234 10.836 6.694 1.00 0.13 C ATOM 1070 C ASP A 68 15.626 11.967 7.493 1.00 0.06 C ATOM 1071 O ASP A 68 15.779 12.029 8.697 1.00 0.06 O ATOM 1072 CB ASP A 68 17.405 11.268 5.870 1.00 0.30 C ATOM 1073 CG ASP A 68 18.166 10.025 5.475 1.00 0.61 C ATOM 1074 OD1 ASP A 68 18.567 9.282 6.364 1.00 0.86 O ATOM 1075 OD2 ASP A 68 18.271 9.932 4.267 1.00 1.02 O ATOM 0 H ASP A 68 15.499 10.340 4.753 1.00 0.22 H new ATOM 0 HA ASP A 68 16.554 10.096 7.428 1.00 0.13 H new ATOM 0 HB2 ASP A 68 17.072 11.811 4.985 1.00 0.30 H new ATOM 0 HB3 ASP A 68 18.044 11.945 6.437 1.00 0.30 H new ATOM 1080 N ALA A 69 14.949 12.806 6.760 1.00 0.15 N ATOM 1081 CA ALA A 69 14.269 13.974 7.388 1.00 0.12 C ATOM 1082 C ALA A 69 13.371 13.303 8.451 1.00 0.14 C ATOM 1083 O ALA A 69 13.493 13.656 9.597 1.00 0.25 O ATOM 1084 CB ALA A 69 13.504 14.696 6.278 1.00 0.17 C ATOM 0 H ALA A 69 14.837 12.733 5.749 1.00 0.15 H new ATOM 0 HA ALA A 69 14.902 14.730 7.853 1.00 0.12 H new ATOM 0 HB1 ALA A 69 12.989 15.562 6.695 1.00 0.17 H new ATOM 0 HB2 ALA A 69 14.203 15.025 5.509 1.00 0.17 H new ATOM 0 HB3 ALA A 69 12.774 14.017 5.838 1.00 0.17 H new ATOM 1090 N MET A 70 12.509 12.379 8.105 1.00 0.18 N ATOM 1091 CA MET A 70 11.656 11.709 9.113 1.00 0.28 C ATOM 1092 C MET A 70 12.516 11.246 10.325 1.00 0.28 C ATOM 1093 O MET A 70 12.297 11.672 11.438 1.00 0.37 O ATOM 1094 CB MET A 70 11.000 10.544 8.383 1.00 0.44 C ATOM 1095 CG MET A 70 9.774 11.035 7.590 1.00 0.70 C ATOM 1096 SD MET A 70 8.633 9.812 6.897 1.00 1.13 S ATOM 1097 CE MET A 70 8.424 10.599 5.277 1.00 1.20 C ATOM 0 H MET A 70 12.364 12.061 7.147 1.00 0.18 H new ATOM 0 HA MET A 70 10.897 12.372 9.528 1.00 0.28 H new ATOM 0 HB2 MET A 70 11.717 10.079 7.707 1.00 0.44 H new ATOM 0 HB3 MET A 70 10.697 9.781 9.100 1.00 0.44 H new ATOM 0 HG2 MET A 70 9.198 11.689 8.245 1.00 0.70 H new ATOM 0 HG3 MET A 70 10.139 11.649 6.767 1.00 0.70 H new ATOM 0 HE1 MET A 70 7.677 10.053 4.701 1.00 1.20 H new ATOM 0 HE2 MET A 70 8.095 11.629 5.413 1.00 1.20 H new ATOM 0 HE3 MET A 70 9.374 10.589 4.742 1.00 1.20 H new ATOM 1107 N LYS A 71 13.474 10.406 10.034 1.00 0.22 N ATOM 1108 CA LYS A 71 14.421 9.828 11.038 1.00 0.32 C ATOM 1109 C LYS A 71 14.940 10.907 11.998 1.00 0.31 C ATOM 1110 O LYS A 71 14.609 10.937 13.166 1.00 0.35 O ATOM 1111 CB LYS A 71 15.650 9.190 10.319 1.00 0.40 C ATOM 1112 CG LYS A 71 15.610 7.650 10.242 1.00 0.92 C ATOM 1113 CD LYS A 71 17.083 7.229 9.965 1.00 1.11 C ATOM 1114 CE LYS A 71 17.237 5.715 9.866 1.00 2.34 C ATOM 1115 NZ LYS A 71 18.708 5.438 9.798 1.00 3.33 N ATOM 0 H LYS A 71 13.648 10.078 9.084 1.00 0.22 H new ATOM 0 HA LYS A 71 13.873 9.072 11.601 1.00 0.32 H new ATOM 0 HB2 LYS A 71 15.713 9.591 9.308 1.00 0.40 H new ATOM 0 HB3 LYS A 71 16.559 9.493 10.840 1.00 0.40 H new ATOM 0 HG2 LYS A 71 15.243 7.217 11.172 1.00 0.92 H new ATOM 0 HG3 LYS A 71 14.945 7.310 9.448 1.00 0.92 H new ATOM 0 HD2 LYS A 71 17.423 7.689 9.037 1.00 1.11 H new ATOM 0 HD3 LYS A 71 17.724 7.607 10.762 1.00 1.11 H new ATOM 0 HE2 LYS A 71 16.790 5.223 10.729 1.00 2.34 H new ATOM 0 HE3 LYS A 71 16.729 5.331 8.981 1.00 2.34 H new ATOM 0 HZ1 LYS A 71 18.865 4.412 9.729 1.00 3.33 H new ATOM 0 HZ2 LYS A 71 19.111 5.907 8.962 1.00 3.33 H new ATOM 0 HZ3 LYS A 71 19.170 5.802 10.656 1.00 3.33 H new ATOM 1129 N ALA A 72 15.737 11.781 11.444 1.00 0.26 N ATOM 1130 CA ALA A 72 16.337 12.889 12.223 1.00 0.24 C ATOM 1131 C ALA A 72 15.275 13.741 12.921 1.00 0.30 C ATOM 1132 O ALA A 72 15.396 14.069 14.080 1.00 0.45 O ATOM 1133 CB ALA A 72 17.177 13.700 11.235 1.00 0.42 C ATOM 0 H ALA A 72 16.000 11.768 10.459 1.00 0.26 H new ATOM 0 HA ALA A 72 16.959 12.506 13.032 1.00 0.24 H new ATOM 0 HB1 ALA A 72 17.646 14.535 11.756 1.00 0.42 H new ATOM 0 HB2 ALA A 72 17.948 13.062 10.804 1.00 0.42 H new ATOM 0 HB3 ALA A 72 16.536 14.082 10.440 1.00 0.42 H new ATOM 1139 N TYR A 73 14.241 14.068 12.198 1.00 0.25 N ATOM 1140 CA TYR A 73 13.137 14.903 12.752 1.00 0.37 C ATOM 1141 C TYR A 73 12.596 14.258 14.019 1.00 0.46 C ATOM 1142 O TYR A 73 12.533 14.854 15.077 1.00 0.52 O ATOM 1143 CB TYR A 73 12.056 14.994 11.668 1.00 0.32 C ATOM 1144 CG TYR A 73 10.837 15.796 12.111 1.00 0.25 C ATOM 1145 CD1 TYR A 73 9.847 15.267 12.916 1.00 2.17 C ATOM 1146 CD2 TYR A 73 10.735 17.096 11.697 1.00 2.56 C ATOM 1147 CE1 TYR A 73 8.773 16.055 13.290 1.00 2.22 C ATOM 1148 CE2 TYR A 73 9.673 17.870 12.070 1.00 2.50 C ATOM 1149 CZ TYR A 73 8.683 17.360 12.870 1.00 0.14 C ATOM 1150 OH TYR A 73 7.634 18.173 13.245 1.00 0.13 O ATOM 0 H TYR A 73 14.111 13.786 11.226 1.00 0.25 H new ATOM 0 HA TYR A 73 13.483 15.902 13.017 1.00 0.37 H new ATOM 0 HB2 TYR A 73 12.481 15.453 10.775 1.00 0.32 H new ATOM 0 HB3 TYR A 73 11.741 13.988 11.390 1.00 0.32 H new ATOM 0 HD1 TYR A 73 9.911 14.243 13.252 1.00 2.17 H new ATOM 0 HD2 TYR A 73 11.505 17.516 11.067 1.00 2.56 H new ATOM 0 HE1 TYR A 73 7.998 15.640 13.918 1.00 2.22 H new ATOM 0 HE2 TYR A 73 9.613 18.894 11.731 1.00 2.50 H new ATOM 0 HH TYR A 73 7.358 18.724 12.483 1.00 0.13 H new ATOM 1160 N ILE A 74 12.224 13.021 13.839 1.00 0.44 N ATOM 1161 CA ILE A 74 11.658 12.213 14.951 1.00 0.53 C ATOM 1162 C ILE A 74 12.649 12.105 16.080 1.00 0.41 C ATOM 1163 O ILE A 74 12.284 12.472 17.170 1.00 0.48 O ATOM 1164 CB ILE A 74 11.305 10.795 14.476 1.00 0.56 C ATOM 1165 CG1 ILE A 74 10.201 10.870 13.407 1.00 0.55 C ATOM 1166 CG2 ILE A 74 10.711 10.047 15.709 1.00 0.99 C ATOM 1167 CD1 ILE A 74 10.171 9.531 12.658 1.00 0.53 C ATOM 0 H ILE A 74 12.291 12.528 12.949 1.00 0.44 H new ATOM 0 HA ILE A 74 10.754 12.717 15.295 1.00 0.53 H new ATOM 0 HB ILE A 74 12.184 10.297 14.066 1.00 0.56 H new ATOM 0 HG12 ILE A 74 9.235 11.068 13.871 1.00 0.55 H new ATOM 0 HG13 ILE A 74 10.396 11.689 12.715 1.00 0.55 H new ATOM 0 HG21 ILE A 74 10.443 9.030 15.423 1.00 0.99 H new ATOM 0 HG22 ILE A 74 11.452 10.016 16.507 1.00 0.99 H new ATOM 0 HG23 ILE A 74 9.822 10.572 16.059 1.00 0.99 H new ATOM 0 HD11 ILE A 74 9.395 9.559 11.893 1.00 0.53 H new ATOM 0 HD12 ILE A 74 11.138 9.356 12.187 1.00 0.53 H new ATOM 0 HD13 ILE A 74 9.959 8.726 13.361 1.00 0.53 H new ATOM 1179 N ASP A 75 13.832 11.630 15.812 1.00 0.24 N ATOM 1180 CA ASP A 75 14.827 11.504 16.891 1.00 0.11 C ATOM 1181 C ASP A 75 14.994 12.843 17.599 1.00 0.18 C ATOM 1182 O ASP A 75 15.066 12.936 18.807 1.00 0.44 O ATOM 1183 CB ASP A 75 16.067 10.975 16.186 1.00 0.12 C ATOM 1184 CG ASP A 75 16.012 9.459 16.324 1.00 0.68 C ATOM 1185 OD1 ASP A 75 16.106 9.055 17.472 1.00 1.01 O ATOM 1186 OD2 ASP A 75 15.877 8.820 15.298 1.00 1.02 O ATOM 0 H ASP A 75 14.145 11.326 14.890 1.00 0.24 H new ATOM 0 HA ASP A 75 14.552 10.824 17.697 1.00 0.11 H new ATOM 0 HB2 ASP A 75 16.076 11.271 15.137 1.00 0.12 H new ATOM 0 HB3 ASP A 75 16.974 11.376 16.638 1.00 0.12 H new ATOM 1191 N LYS A 76 15.027 13.897 16.834 1.00 0.10 N ATOM 1192 CA LYS A 76 15.186 15.212 17.518 1.00 0.13 C ATOM 1193 C LYS A 76 13.896 15.422 18.348 1.00 0.17 C ATOM 1194 O LYS A 76 14.016 15.876 19.472 1.00 0.20 O ATOM 1195 CB LYS A 76 15.411 16.296 16.445 1.00 0.32 C ATOM 1196 CG LYS A 76 16.827 16.972 16.719 1.00 0.47 C ATOM 1197 CD LYS A 76 16.784 17.794 18.062 1.00 0.69 C ATOM 1198 CE LYS A 76 18.106 18.545 18.422 1.00 1.03 C ATOM 1199 NZ LYS A 76 19.206 17.574 18.755 1.00 3.52 N ATOM 0 H LYS A 76 14.955 13.913 15.817 1.00 0.10 H new ATOM 0 HA LYS A 76 16.045 15.259 18.187 1.00 0.13 H new ATOM 0 HB2 LYS A 76 15.385 15.857 15.448 1.00 0.32 H new ATOM 0 HB3 LYS A 76 14.618 17.043 16.485 1.00 0.32 H new ATOM 0 HG2 LYS A 76 17.599 16.205 16.778 1.00 0.47 H new ATOM 0 HG3 LYS A 76 17.092 17.628 15.890 1.00 0.47 H new ATOM 0 HD2 LYS A 76 15.976 18.523 17.998 1.00 0.69 H new ATOM 0 HD3 LYS A 76 16.537 17.115 18.878 1.00 0.69 H new ATOM 0 HE2 LYS A 76 18.411 19.172 17.585 1.00 1.03 H new ATOM 0 HE3 LYS A 76 17.932 19.208 19.270 1.00 1.03 H new ATOM 0 HZ1 LYS A 76 20.129 18.026 18.593 1.00 3.52 H new ATOM 0 HZ2 LYS A 76 19.129 17.291 19.753 1.00 3.52 H new ATOM 0 HZ3 LYS A 76 19.122 16.733 18.149 1.00 3.52 H new ATOM 1213 N VAL A 77 12.702 15.121 17.871 1.00 0.24 N ATOM 1214 CA VAL A 77 11.534 15.356 18.786 1.00 0.43 C ATOM 1215 C VAL A 77 11.813 14.449 20.019 1.00 0.57 C ATOM 1216 O VAL A 77 11.673 14.886 21.137 1.00 0.79 O ATOM 1217 CB VAL A 77 10.212 14.965 18.074 1.00 0.59 C ATOM 1218 CG1 VAL A 77 9.073 15.184 19.095 1.00 0.71 C ATOM 1219 CG2 VAL A 77 9.999 15.939 16.878 1.00 0.58 C ATOM 0 H VAL A 77 12.494 14.746 16.946 1.00 0.24 H new ATOM 0 HA VAL A 77 11.424 16.401 19.076 1.00 0.43 H new ATOM 0 HB VAL A 77 10.234 13.935 17.719 1.00 0.59 H new ATOM 0 HG11 VAL A 77 8.119 14.921 18.638 1.00 0.71 H new ATOM 0 HG12 VAL A 77 9.242 14.555 19.969 1.00 0.71 H new ATOM 0 HG13 VAL A 77 9.053 16.230 19.399 1.00 0.71 H new ATOM 0 HG21 VAL A 77 9.074 15.684 16.361 1.00 0.58 H new ATOM 0 HG22 VAL A 77 9.937 16.962 17.249 1.00 0.58 H new ATOM 0 HG23 VAL A 77 10.837 15.854 16.186 1.00 0.58 H new ATOM 1229 N GLU A 78 12.169 13.216 19.798 1.00 0.50 N ATOM 1230 CA GLU A 78 12.495 12.236 20.901 1.00 0.78 C ATOM 1231 C GLU A 78 13.346 13.047 21.941 1.00 0.58 C ATOM 1232 O GLU A 78 13.009 13.143 23.117 1.00 0.55 O ATOM 1233 CB GLU A 78 13.244 11.072 20.164 1.00 1.02 C ATOM 1234 CG GLU A 78 13.079 9.656 20.813 1.00 1.58 C ATOM 1235 CD GLU A 78 13.891 9.451 22.083 1.00 1.75 C ATOM 1236 OE1 GLU A 78 14.382 10.395 22.676 1.00 3.87 O ATOM 1237 OE2 GLU A 78 13.998 8.294 22.462 1.00 1.07 O ATOM 0 H GLU A 78 12.254 12.820 18.862 1.00 0.50 H new ATOM 0 HA GLU A 78 11.665 11.799 21.456 1.00 0.78 H new ATOM 0 HB2 GLU A 78 12.887 11.026 19.135 1.00 1.02 H new ATOM 0 HB3 GLU A 78 14.306 11.314 20.123 1.00 1.02 H new ATOM 0 HG2 GLU A 78 12.025 9.493 21.039 1.00 1.58 H new ATOM 0 HG3 GLU A 78 13.369 8.899 20.084 1.00 1.58 H new ATOM 1244 N GLU A 79 14.407 13.644 21.444 1.00 0.46 N ATOM 1245 CA GLU A 79 15.332 14.468 22.300 1.00 0.40 C ATOM 1246 C GLU A 79 14.515 15.575 23.012 1.00 0.39 C ATOM 1247 O GLU A 79 14.459 15.669 24.221 1.00 0.49 O ATOM 1248 CB GLU A 79 16.439 15.182 21.427 1.00 0.44 C ATOM 1249 CG GLU A 79 17.414 14.186 20.701 1.00 0.70 C ATOM 1250 CD GLU A 79 18.460 14.950 19.879 1.00 0.91 C ATOM 1251 OE1 GLU A 79 19.209 15.703 20.485 1.00 2.49 O ATOM 1252 OE2 GLU A 79 18.516 14.807 18.666 1.00 0.99 O ATOM 0 H GLU A 79 14.678 13.595 20.462 1.00 0.46 H new ATOM 0 HA GLU A 79 15.809 13.798 23.015 1.00 0.40 H new ATOM 0 HB2 GLU A 79 15.951 15.808 20.680 1.00 0.44 H new ATOM 0 HB3 GLU A 79 17.022 15.845 22.067 1.00 0.44 H new ATOM 0 HG2 GLU A 79 17.913 13.556 21.438 1.00 0.70 H new ATOM 0 HG3 GLU A 79 16.845 13.524 20.049 1.00 0.70 H new ATOM 1259 N LEU A 80 13.875 16.407 22.230 1.00 0.26 N ATOM 1260 CA LEU A 80 13.051 17.533 22.800 1.00 0.27 C ATOM 1261 C LEU A 80 11.932 17.104 23.743 1.00 0.06 C ATOM 1262 O LEU A 80 11.540 17.813 24.638 1.00 0.49 O ATOM 1263 CB LEU A 80 12.382 18.358 21.672 1.00 0.46 C ATOM 1264 CG LEU A 80 13.390 18.934 20.672 1.00 0.71 C ATOM 1265 CD1 LEU A 80 12.539 19.689 19.651 1.00 0.87 C ATOM 1266 CD2 LEU A 80 14.324 19.987 21.297 1.00 0.81 C ATOM 0 H LEU A 80 13.884 16.359 21.211 1.00 0.26 H new ATOM 0 HA LEU A 80 13.776 18.114 23.371 1.00 0.27 H new ATOM 0 HB2 LEU A 80 11.671 17.726 21.140 1.00 0.46 H new ATOM 0 HB3 LEU A 80 11.812 19.174 22.116 1.00 0.46 H new ATOM 0 HG LEU A 80 14.004 18.124 20.278 1.00 0.71 H new ATOM 0 HD11 LEU A 80 13.187 20.134 18.896 1.00 0.87 H new ATOM 0 HD12 LEU A 80 11.846 18.997 19.173 1.00 0.87 H new ATOM 0 HD13 LEU A 80 11.977 20.475 20.156 1.00 0.87 H new ATOM 0 HD21 LEU A 80 15.014 20.357 20.539 1.00 0.81 H new ATOM 0 HD22 LEU A 80 13.731 20.816 21.683 1.00 0.81 H new ATOM 0 HD23 LEU A 80 14.889 19.534 22.112 1.00 0.81 H new ATOM 1278 N LYS A 81 11.445 15.937 23.550 1.00 0.42 N ATOM 1279 CA LYS A 81 10.338 15.402 24.380 1.00 0.36 C ATOM 1280 C LYS A 81 10.910 15.044 25.740 1.00 0.26 C ATOM 1281 O LYS A 81 10.405 15.438 26.769 1.00 0.25 O ATOM 1282 CB LYS A 81 9.822 14.225 23.596 1.00 0.57 C ATOM 1283 CG LYS A 81 8.666 13.497 24.288 1.00 0.60 C ATOM 1284 CD LYS A 81 7.311 14.196 24.006 1.00 1.09 C ATOM 1285 CE LYS A 81 6.983 14.202 22.500 1.00 2.33 C ATOM 1286 NZ LYS A 81 5.485 14.245 22.351 1.00 2.90 N ATOM 0 H LYS A 81 11.773 15.298 22.826 1.00 0.42 H new ATOM 0 HA LYS A 81 9.518 16.093 24.574 1.00 0.36 H new ATOM 0 HB2 LYS A 81 9.492 14.567 22.615 1.00 0.57 H new ATOM 0 HB3 LYS A 81 10.638 13.522 23.430 1.00 0.57 H new ATOM 0 HG2 LYS A 81 8.624 12.464 23.941 1.00 0.60 H new ATOM 0 HG3 LYS A 81 8.845 13.465 25.363 1.00 0.60 H new ATOM 0 HD2 LYS A 81 6.517 13.686 24.551 1.00 1.09 H new ATOM 0 HD3 LYS A 81 7.345 15.221 24.377 1.00 1.09 H new ATOM 0 HE2 LYS A 81 7.439 15.064 22.014 1.00 2.33 H new ATOM 0 HE3 LYS A 81 7.389 13.313 22.018 1.00 2.33 H new ATOM 0 HZ1 LYS A 81 5.180 13.501 21.691 1.00 2.90 H new ATOM 0 HZ2 LYS A 81 5.039 14.090 23.278 1.00 2.90 H new ATOM 0 HZ3 LYS A 81 5.199 15.174 21.981 1.00 2.90 H new ATOM 1300 N LYS A 82 11.973 14.313 25.702 1.00 0.32 N ATOM 1301 CA LYS A 82 12.611 13.903 26.982 1.00 0.42 C ATOM 1302 C LYS A 82 13.328 15.065 27.654 1.00 0.44 C ATOM 1303 O LYS A 82 13.497 15.084 28.856 1.00 0.75 O ATOM 1304 CB LYS A 82 13.486 12.765 26.577 1.00 0.88 C ATOM 1305 CG LYS A 82 12.496 11.556 26.451 1.00 1.28 C ATOM 1306 CD LYS A 82 12.915 10.572 25.372 1.00 0.85 C ATOM 1307 CE LYS A 82 14.363 10.195 25.550 1.00 2.07 C ATOM 1308 NZ LYS A 82 14.587 8.932 24.806 1.00 2.92 N ATOM 0 H LYS A 82 12.430 13.980 24.853 1.00 0.32 H new ATOM 0 HA LYS A 82 11.907 13.594 27.755 1.00 0.42 H new ATOM 0 HB2 LYS A 82 13.993 12.967 25.633 1.00 0.88 H new ATOM 0 HB3 LYS A 82 14.260 12.572 27.320 1.00 0.88 H new ATOM 0 HG2 LYS A 82 12.437 11.038 27.408 1.00 1.28 H new ATOM 0 HG3 LYS A 82 11.497 11.930 26.229 1.00 1.28 H new ATOM 0 HD2 LYS A 82 12.290 9.680 25.420 1.00 0.85 H new ATOM 0 HD3 LYS A 82 12.765 11.014 24.387 1.00 0.85 H new ATOM 0 HE2 LYS A 82 15.014 10.983 25.173 1.00 2.07 H new ATOM 0 HE3 LYS A 82 14.599 10.065 26.606 1.00 2.07 H new ATOM 0 HZ1 LYS A 82 15.326 8.376 25.281 1.00 2.92 H new ATOM 0 HZ2 LYS A 82 13.704 8.383 24.780 1.00 2.92 H new ATOM 0 HZ3 LYS A 82 14.888 9.150 23.835 1.00 2.92 H new ATOM 1322 N LYS A 83 13.754 16.013 26.870 1.00 0.36 N ATOM 1323 CA LYS A 83 14.462 17.209 27.434 1.00 0.52 C ATOM 1324 C LYS A 83 13.533 18.380 27.799 1.00 0.20 C ATOM 1325 O LYS A 83 13.696 18.990 28.834 1.00 0.23 O ATOM 1326 CB LYS A 83 15.486 17.621 26.396 1.00 1.06 C ATOM 1327 CG LYS A 83 16.696 18.369 27.044 1.00 1.91 C ATOM 1328 CD LYS A 83 17.339 17.465 28.155 1.00 4.70 C ATOM 1329 CE LYS A 83 18.664 18.021 28.674 1.00 5.79 C ATOM 1330 NZ LYS A 83 19.125 17.063 29.732 1.00 8.58 N ATOM 0 H LYS A 83 13.645 16.017 25.856 1.00 0.36 H new ATOM 0 HA LYS A 83 14.923 16.937 28.384 1.00 0.52 H new ATOM 0 HB2 LYS A 83 15.845 16.738 25.868 1.00 1.06 H new ATOM 0 HB3 LYS A 83 15.014 18.266 25.655 1.00 1.06 H new ATOM 0 HG2 LYS A 83 17.438 18.610 26.283 1.00 1.91 H new ATOM 0 HG3 LYS A 83 16.364 19.313 27.476 1.00 1.91 H new ATOM 0 HD2 LYS A 83 16.641 17.366 28.986 1.00 4.70 H new ATOM 0 HD3 LYS A 83 17.502 16.464 27.754 1.00 4.70 H new ATOM 0 HE2 LYS A 83 19.397 18.098 27.871 1.00 5.79 H new ATOM 0 HE3 LYS A 83 18.534 19.023 29.084 1.00 5.79 H new ATOM 0 HZ1 LYS A 83 20.030 17.390 30.126 1.00 8.58 H new ATOM 0 HZ2 LYS A 83 18.414 17.014 30.490 1.00 8.58 H new ATOM 0 HZ3 LYS A 83 19.251 16.119 29.314 1.00 8.58 H new ATOM 1344 N TYR A 84 12.604 18.642 26.935 1.00 0.41 N ATOM 1345 CA TYR A 84 11.596 19.757 27.135 1.00 0.79 C ATOM 1346 C TYR A 84 10.237 19.230 27.689 1.00 1.33 C ATOM 1347 O TYR A 84 9.584 19.968 28.399 1.00 2.21 O ATOM 1348 CB TYR A 84 11.306 20.510 25.790 1.00 1.36 C ATOM 1349 CG TYR A 84 12.435 21.473 25.386 1.00 1.41 C ATOM 1350 CD1 TYR A 84 12.499 22.731 25.949 1.00 2.72 C ATOM 1351 CD2 TYR A 84 13.390 21.112 24.457 1.00 2.71 C ATOM 1352 CE1 TYR A 84 13.498 23.610 25.582 1.00 3.13 C ATOM 1353 CE2 TYR A 84 14.391 21.996 24.090 1.00 2.68 C ATOM 1354 CZ TYR A 84 14.449 23.256 24.653 1.00 2.09 C ATOM 1355 OH TYR A 84 15.425 24.170 24.300 1.00 2.54 O ATOM 0 H TYR A 84 12.482 18.124 26.065 1.00 0.41 H new ATOM 0 HA TYR A 84 12.044 20.436 27.861 1.00 0.79 H new ATOM 0 HB2 TYR A 84 11.158 19.779 24.995 1.00 1.36 H new ATOM 0 HB3 TYR A 84 10.376 21.070 25.886 1.00 1.36 H new ATOM 0 HD1 TYR A 84 11.763 23.030 26.681 1.00 2.72 H new ATOM 0 HD2 TYR A 84 13.356 20.129 24.011 1.00 2.71 H new ATOM 0 HE1 TYR A 84 13.534 24.591 26.031 1.00 3.13 H new ATOM 0 HE2 TYR A 84 15.130 21.699 23.360 1.00 2.68 H new ATOM 0 HH TYR A 84 16.023 23.770 23.634 1.00 2.54 H new ATOM 1365 N GLY A 85 9.844 18.015 27.376 1.00 1.06 N ATOM 1366 CA GLY A 85 8.532 17.479 27.906 1.00 1.76 C ATOM 1367 C GLY A 85 7.451 17.098 26.892 1.00 2.16 C ATOM 1368 O GLY A 85 7.584 17.208 25.686 1.00 3.64 O ATOM 0 H GLY A 85 10.366 17.371 26.782 1.00 1.06 H new ATOM 0 HA2 GLY A 85 8.750 16.598 28.509 1.00 1.76 H new ATOM 0 HA3 GLY A 85 8.112 18.228 28.577 1.00 1.76 H new ATOM 1372 N ILE A 86 6.357 16.636 27.429 1.00 1.47 N ATOM 1373 CA ILE A 86 5.205 16.219 26.570 1.00 1.73 C ATOM 1374 C ILE A 86 3.906 16.978 26.928 1.00 1.35 C ATOM 1375 O ILE A 86 3.778 18.014 26.294 1.00 1.02 O ATOM 1376 CB ILE A 86 5.087 14.646 26.732 1.00 3.06 C ATOM 1377 CG1 ILE A 86 3.875 14.134 25.902 1.00 3.39 C ATOM 1378 CG2 ILE A 86 4.958 14.205 28.230 1.00 3.76 C ATOM 1379 CD1 ILE A 86 3.922 12.598 25.747 1.00 4.82 C ATOM 1380 OXT ILE A 86 3.134 16.533 27.767 1.00 2.39 O ATOM 0 H ILE A 86 6.207 16.527 28.432 1.00 1.47 H new ATOM 0 HA ILE A 86 5.372 16.475 25.524 1.00 1.73 H new ATOM 0 HB ILE A 86 6.008 14.200 26.357 1.00 3.06 H new ATOM 0 HG12 ILE A 86 2.945 14.426 26.391 1.00 3.39 H new ATOM 0 HG13 ILE A 86 3.879 14.603 24.918 1.00 3.39 H new ATOM 0 HG21 ILE A 86 4.880 13.119 28.284 1.00 3.76 H new ATOM 0 HG22 ILE A 86 5.838 14.534 28.783 1.00 3.76 H new ATOM 0 HG23 ILE A 86 4.066 14.655 28.666 1.00 3.76 H new ATOM 0 HD11 ILE A 86 3.064 12.265 25.163 1.00 4.82 H new ATOM 0 HD12 ILE A 86 4.842 12.312 25.237 1.00 4.82 H new ATOM 0 HD13 ILE A 86 3.894 12.132 26.732 1.00 4.82 H new TER 1392 ILE A 86