USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=29 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 2 GLN : amide:sc= 0.177 K(o=-1.2,f=-2.8!) USER MOD Set 1.2: A 70 MET CE :methyl 161:sc= -1.41 (180deg=-0.838) USER MOD Single : A 1 SER N :NH3+ -124:sc= 0.764 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.195 USER MOD Single : A 7 LYS NZ :NH3+ 141:sc= -1.31 (180deg=-4.29!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.4!) USER MOD Single : A 16 LYS NZ :NH3+ 138:sc= -0.615 (180deg=-2.23!) USER MOD Single : A 17 THR OG1 : rot 99:sc= 1.03 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -150:sc= -0.496 (180deg=-2.1) USER MOD Single : A 28 TYR OH : rot -139:sc= 1.02 USER MOD Single : A 29 SER OG : rot -58:sc= 0.324 USER MOD Single : A 30 HIS : no HD1:sc= -3.63! C(o=-3.6!,f=-6.3!) USER MOD Single : A 31 TYR OH : rot -29:sc= 0.702 USER MOD Single : A 32 LYS NZ :NH3+ -123:sc= -2.67! (180deg=-6.68!) USER MOD Single : A 33 GLN : amide:sc= 0.312! C(o=0.31!,f=-13!) USER MOD Single : A 35 THR OG1 : rot -163:sc= 0.644 USER MOD Single : A 40 ASN : amide:sc= -0.0317 K(o=-0.032,f=-10!) USER MOD Single : A 41 THR OG1 : rot 111:sc= 0.0266! USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 142:sc= -0.848 (180deg=-1.92) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0.979 (180deg=0.914) USER MOD Single : A 54 LYS NZ :NH3+ -155:sc= -0.839! (180deg=-2.22!) USER MOD Single : A 59 ASN :FLIP amide:sc= -6.25! C(o=-7.3!,f=-6.3!) USER MOD Single : A 62 LYS NZ :NH3+ 135:sc= -0.94! (180deg=-3.41!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -151:sc= 1.6 USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= -2.1! (180deg=-5.39!) USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= 1.24 (180deg=-0.0672) USER MOD Single : A 73 TYR OH : rot 75:sc= -0.793 USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= -2.34! (180deg=-5.13!) USER MOD Single : A 81 LYS NZ :NH3+ -136:sc= 0.433 (180deg=-1.15) USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= -4.65! (180deg=-9.7!) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 1.14 (180deg=0.679) USER MOD Single : A 84 TYR OH : rot 60:sc= 0.501 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.682 3.531 -9.896 1.00 4.45 N ATOM 2 CA SER A 1 8.700 3.775 -8.818 1.00 4.65 C ATOM 3 C SER A 1 8.259 4.911 -7.860 1.00 3.53 C ATOM 4 O SER A 1 8.788 6.000 -7.932 1.00 3.81 O ATOM 5 CB SER A 1 10.109 4.087 -9.467 1.00 6.54 C ATOM 6 OG SER A 1 9.858 4.247 -10.871 1.00 7.44 O ATOM 0 H1 SER A 1 7.390 2.533 -9.878 1.00 4.45 H new ATOM 0 H2 SER A 1 6.853 4.137 -9.734 1.00 4.45 H new ATOM 0 H3 SER A 1 8.098 3.754 -10.823 1.00 4.45 H new ATOM 0 HA SER A 1 8.784 2.870 -8.217 1.00 4.65 H new ATOM 0 HB2 SER A 1 10.546 4.990 -9.041 1.00 6.54 H new ATOM 0 HB3 SER A 1 10.813 3.276 -9.284 1.00 6.54 H new ATOM 0 HG SER A 1 10.699 4.446 -11.333 1.00 7.44 H new ATOM 14 N GLN A 2 7.313 4.655 -6.981 1.00 2.55 N ATOM 15 CA GLN A 2 6.855 5.739 -6.029 1.00 1.44 C ATOM 16 C GLN A 2 7.474 5.391 -4.664 1.00 1.17 C ATOM 17 O GLN A 2 7.257 4.311 -4.152 1.00 1.23 O ATOM 18 CB GLN A 2 5.308 5.699 -5.898 1.00 1.27 C ATOM 19 CG GLN A 2 4.779 7.017 -5.214 1.00 0.81 C ATOM 20 CD GLN A 2 4.804 8.189 -6.200 1.00 1.17 C ATOM 21 OE1 GLN A 2 4.987 8.028 -7.391 1.00 1.93 O ATOM 22 NE2 GLN A 2 4.620 9.404 -5.785 1.00 0.80 N ATOM 0 H GLN A 2 6.841 3.757 -6.878 1.00 2.55 H new ATOM 0 HA GLN A 2 7.152 6.728 -6.379 1.00 1.44 H new ATOM 0 HB2 GLN A 2 4.856 5.587 -6.884 1.00 1.27 H new ATOM 0 HB3 GLN A 2 5.009 4.831 -5.310 1.00 1.27 H new ATOM 0 HG2 GLN A 2 3.763 6.862 -4.852 1.00 0.81 H new ATOM 0 HG3 GLN A 2 5.394 7.253 -4.345 1.00 0.81 H new ATOM 0 HE21 GLN A 2 4.463 9.586 -4.794 1.00 0.80 H new ATOM 0 HE22 GLN A 2 4.633 10.177 -6.450 1.00 0.80 H new ATOM 31 N ALA A 3 8.223 6.292 -4.104 1.00 1.07 N ATOM 32 CA ALA A 3 8.863 6.010 -2.778 1.00 0.79 C ATOM 33 C ALA A 3 8.040 6.611 -1.633 1.00 0.51 C ATOM 34 O ALA A 3 6.826 6.614 -1.686 1.00 0.79 O ATOM 35 CB ALA A 3 10.194 6.749 -2.864 1.00 1.03 C ATOM 0 H ALA A 3 8.424 7.211 -4.498 1.00 1.07 H new ATOM 0 HA ALA A 3 8.954 4.941 -2.583 1.00 0.79 H new ATOM 0 HB1 ALA A 3 10.749 6.608 -1.936 1.00 1.03 H new ATOM 0 HB2 ALA A 3 10.775 6.356 -3.698 1.00 1.03 H new ATOM 0 HB3 ALA A 3 10.010 7.812 -3.019 1.00 1.03 H new ATOM 41 N GLU A 4 8.710 7.117 -0.625 1.00 0.15 N ATOM 42 CA GLU A 4 7.972 7.728 0.517 1.00 0.42 C ATOM 43 C GLU A 4 8.035 9.214 0.183 1.00 0.36 C ATOM 44 O GLU A 4 7.727 10.071 0.957 1.00 0.47 O ATOM 45 CB GLU A 4 8.694 7.497 1.866 1.00 0.57 C ATOM 46 CG GLU A 4 10.060 8.232 1.992 1.00 0.98 C ATOM 47 CD GLU A 4 10.596 8.074 3.425 1.00 2.00 C ATOM 48 OE1 GLU A 4 11.101 7.000 3.673 1.00 1.69 O ATOM 49 OE2 GLU A 4 10.475 9.014 4.200 1.00 3.23 O ATOM 0 H GLU A 4 9.727 7.132 -0.547 1.00 0.15 H new ATOM 0 HA GLU A 4 6.970 7.313 0.630 1.00 0.42 H new ATOM 0 HB2 GLU A 4 8.042 7.825 2.675 1.00 0.57 H new ATOM 0 HB3 GLU A 4 8.856 6.427 2.000 1.00 0.57 H new ATOM 0 HG2 GLU A 4 10.774 7.821 1.278 1.00 0.98 H new ATOM 0 HG3 GLU A 4 9.940 9.288 1.751 1.00 0.98 H new ATOM 56 N PHE A 5 8.449 9.521 -1.001 1.00 0.18 N ATOM 57 CA PHE A 5 8.564 10.918 -1.460 1.00 0.06 C ATOM 58 C PHE A 5 7.416 11.822 -0.990 1.00 0.10 C ATOM 59 O PHE A 5 7.647 12.880 -0.453 1.00 0.09 O ATOM 60 CB PHE A 5 8.624 10.746 -2.938 1.00 0.14 C ATOM 61 CG PHE A 5 8.361 12.020 -3.704 1.00 0.15 C ATOM 62 CD1 PHE A 5 7.069 12.361 -3.988 1.00 1.35 C ATOM 63 CD2 PHE A 5 9.386 12.828 -4.115 1.00 1.59 C ATOM 64 CE1 PHE A 5 6.792 13.494 -4.676 1.00 1.38 C ATOM 65 CE2 PHE A 5 9.144 13.980 -4.813 1.00 1.61 C ATOM 66 CZ PHE A 5 7.824 14.306 -5.090 1.00 0.19 C ATOM 0 H PHE A 5 8.724 8.830 -1.699 1.00 0.18 H new ATOM 0 HA PHE A 5 9.428 11.439 -1.047 1.00 0.06 H new ATOM 0 HB2 PHE A 5 9.607 10.363 -3.212 1.00 0.14 H new ATOM 0 HB3 PHE A 5 7.894 9.994 -3.238 1.00 0.14 H new ATOM 0 HD1 PHE A 5 6.262 11.722 -3.661 1.00 1.35 H new ATOM 0 HD2 PHE A 5 10.404 12.552 -3.884 1.00 1.59 H new ATOM 0 HE1 PHE A 5 5.769 13.759 -4.898 1.00 1.38 H new ATOM 0 HE2 PHE A 5 9.955 14.615 -5.138 1.00 1.61 H new ATOM 0 HZ PHE A 5 7.603 15.210 -5.638 1.00 0.19 H new ATOM 76 N ASP A 6 6.208 11.382 -1.193 1.00 0.13 N ATOM 77 CA ASP A 6 5.057 12.201 -0.761 1.00 0.17 C ATOM 78 C ASP A 6 5.079 12.360 0.743 1.00 0.21 C ATOM 79 O ASP A 6 4.632 13.340 1.286 1.00 0.28 O ATOM 80 CB ASP A 6 3.870 11.627 -1.385 1.00 0.15 C ATOM 81 CG ASP A 6 3.883 12.026 -2.844 1.00 0.29 C ATOM 82 OD1 ASP A 6 3.758 13.227 -3.057 1.00 0.63 O ATOM 83 OD2 ASP A 6 4.031 11.086 -3.608 1.00 1.18 O ATOM 0 H ASP A 6 5.973 10.494 -1.638 1.00 0.13 H new ATOM 0 HA ASP A 6 5.082 13.237 -1.098 1.00 0.17 H new ATOM 0 HB2 ASP A 6 3.871 10.542 -1.285 1.00 0.15 H new ATOM 0 HB3 ASP A 6 2.966 11.991 -0.896 1.00 0.15 H new ATOM 88 N LYS A 7 5.638 11.358 1.355 1.00 0.19 N ATOM 89 CA LYS A 7 5.763 11.346 2.835 1.00 0.19 C ATOM 90 C LYS A 7 6.806 12.407 3.145 1.00 0.14 C ATOM 91 O LYS A 7 6.617 13.255 3.987 1.00 0.16 O ATOM 92 CB LYS A 7 6.252 9.977 3.309 1.00 0.22 C ATOM 93 CG LYS A 7 6.354 9.845 4.847 1.00 0.20 C ATOM 94 CD LYS A 7 7.720 10.463 5.322 1.00 1.79 C ATOM 95 CE LYS A 7 8.260 9.682 6.511 1.00 2.29 C ATOM 96 NZ LYS A 7 9.546 10.298 6.945 1.00 3.54 N ATOM 0 H LYS A 7 6.019 10.536 0.886 1.00 0.19 H new ATOM 0 HA LYS A 7 4.813 11.541 3.332 1.00 0.19 H new ATOM 0 HB2 LYS A 7 5.575 9.210 2.933 1.00 0.22 H new ATOM 0 HB3 LYS A 7 7.231 9.781 2.872 1.00 0.22 H new ATOM 0 HG2 LYS A 7 5.521 10.360 5.326 1.00 0.20 H new ATOM 0 HG3 LYS A 7 6.292 8.797 5.140 1.00 0.20 H new ATOM 0 HD2 LYS A 7 8.441 10.442 4.505 1.00 1.79 H new ATOM 0 HD3 LYS A 7 7.579 11.508 5.597 1.00 1.79 H new ATOM 0 HE2 LYS A 7 7.540 9.695 7.329 1.00 2.29 H new ATOM 0 HE3 LYS A 7 8.414 8.638 6.238 1.00 2.29 H new ATOM 0 HZ1 LYS A 7 9.600 10.293 7.984 1.00 3.54 H new ATOM 0 HZ2 LYS A 7 10.341 9.753 6.555 1.00 3.54 H new ATOM 0 HZ3 LYS A 7 9.595 11.278 6.600 1.00 3.54 H new ATOM 110 N ALA A 8 7.891 12.319 2.429 1.00 0.09 N ATOM 111 CA ALA A 8 9.011 13.289 2.604 1.00 0.07 C ATOM 112 C ALA A 8 8.351 14.668 2.498 1.00 0.05 C ATOM 113 O ALA A 8 8.403 15.467 3.401 1.00 0.07 O ATOM 114 CB ALA A 8 10.055 12.955 1.544 1.00 0.13 C ATOM 0 H ALA A 8 8.053 11.605 1.718 1.00 0.09 H new ATOM 0 HA ALA A 8 9.546 13.256 3.553 1.00 0.07 H new ATOM 0 HB1 ALA A 8 10.897 13.642 1.633 1.00 0.13 H new ATOM 0 HB2 ALA A 8 10.404 11.932 1.687 1.00 0.13 H new ATOM 0 HB3 ALA A 8 9.611 13.052 0.553 1.00 0.13 H new ATOM 120 N ALA A 9 7.729 14.883 1.392 1.00 0.10 N ATOM 121 CA ALA A 9 7.014 16.159 1.102 1.00 0.15 C ATOM 122 C ALA A 9 6.086 16.543 2.280 1.00 0.13 C ATOM 123 O ALA A 9 6.202 17.586 2.895 1.00 0.09 O ATOM 124 CB ALA A 9 6.172 15.840 -0.141 1.00 0.20 C ATOM 0 H ALA A 9 7.679 14.201 0.635 1.00 0.10 H new ATOM 0 HA ALA A 9 7.699 16.994 0.953 1.00 0.15 H new ATOM 0 HB1 ALA A 9 5.606 16.724 -0.433 1.00 0.20 H new ATOM 0 HB2 ALA A 9 6.829 15.543 -0.959 1.00 0.20 H new ATOM 0 HB3 ALA A 9 5.483 15.026 0.085 1.00 0.20 H new ATOM 130 N GLU A 10 5.187 15.640 2.539 1.00 0.29 N ATOM 131 CA GLU A 10 4.164 15.738 3.613 1.00 0.38 C ATOM 132 C GLU A 10 4.804 16.223 4.909 1.00 0.39 C ATOM 133 O GLU A 10 4.310 17.121 5.567 1.00 0.44 O ATOM 134 CB GLU A 10 3.548 14.351 3.680 1.00 0.53 C ATOM 135 CG GLU A 10 2.558 14.192 4.841 1.00 0.20 C ATOM 136 CD GLU A 10 1.801 12.874 4.666 1.00 0.72 C ATOM 137 OE1 GLU A 10 0.885 12.885 3.856 1.00 1.77 O ATOM 138 OE2 GLU A 10 2.198 11.950 5.348 1.00 1.09 O ATOM 0 H GLU A 10 5.118 14.773 2.006 1.00 0.29 H new ATOM 0 HA GLU A 10 3.382 16.473 3.422 1.00 0.38 H new ATOM 0 HB2 GLU A 10 3.036 14.141 2.741 1.00 0.53 H new ATOM 0 HB3 GLU A 10 4.342 13.611 3.782 1.00 0.53 H new ATOM 0 HG2 GLU A 10 3.089 14.199 5.793 1.00 0.20 H new ATOM 0 HG3 GLU A 10 1.860 15.029 4.859 1.00 0.20 H new ATOM 145 N GLU A 11 5.910 15.606 5.209 1.00 0.36 N ATOM 146 CA GLU A 11 6.701 15.910 6.426 1.00 0.38 C ATOM 147 C GLU A 11 7.486 17.187 6.369 1.00 0.27 C ATOM 148 O GLU A 11 7.437 17.993 7.275 1.00 0.24 O ATOM 149 CB GLU A 11 7.661 14.743 6.654 1.00 0.39 C ATOM 150 CG GLU A 11 7.140 13.627 7.625 1.00 0.44 C ATOM 151 CD GLU A 11 8.259 12.608 7.988 1.00 0.32 C ATOM 152 OE1 GLU A 11 9.404 12.759 7.591 1.00 0.92 O ATOM 153 OE2 GLU A 11 7.994 11.643 8.673 1.00 1.48 O ATOM 0 H GLU A 11 6.314 14.869 4.630 1.00 0.36 H new ATOM 0 HA GLU A 11 5.990 16.045 7.242 1.00 0.38 H new ATOM 0 HB2 GLU A 11 7.887 14.287 5.690 1.00 0.39 H new ATOM 0 HB3 GLU A 11 8.598 15.136 7.048 1.00 0.39 H new ATOM 0 HG2 GLU A 11 6.758 14.087 8.536 1.00 0.44 H new ATOM 0 HG3 GLU A 11 6.306 13.101 7.160 1.00 0.44 H new ATOM 160 N VAL A 12 8.198 17.381 5.310 1.00 0.23 N ATOM 161 CA VAL A 12 9.012 18.595 5.156 1.00 0.14 C ATOM 162 C VAL A 12 8.136 19.821 5.462 1.00 0.20 C ATOM 163 O VAL A 12 8.496 20.675 6.247 1.00 0.39 O ATOM 164 CB VAL A 12 9.668 18.478 3.776 1.00 0.16 C ATOM 165 CG1 VAL A 12 8.983 19.275 2.728 1.00 0.28 C ATOM 166 CG2 VAL A 12 11.146 18.747 3.856 1.00 0.11 C ATOM 0 H VAL A 12 8.250 16.731 4.526 1.00 0.23 H new ATOM 0 HA VAL A 12 9.834 18.719 5.861 1.00 0.14 H new ATOM 0 HB VAL A 12 9.547 17.444 3.453 1.00 0.16 H new ATOM 0 HG11 VAL A 12 9.500 19.146 1.777 1.00 0.28 H new ATOM 0 HG12 VAL A 12 7.952 18.936 2.629 1.00 0.28 H new ATOM 0 HG13 VAL A 12 8.994 20.329 3.007 1.00 0.28 H new ATOM 0 HG21 VAL A 12 11.586 18.657 2.863 1.00 0.11 H new ATOM 0 HG22 VAL A 12 11.312 19.755 4.237 1.00 0.11 H new ATOM 0 HG23 VAL A 12 11.612 18.024 4.526 1.00 0.11 H new ATOM 176 N LYS A 13 6.986 19.862 4.838 1.00 0.21 N ATOM 177 CA LYS A 13 6.018 20.991 5.044 1.00 0.31 C ATOM 178 C LYS A 13 5.730 21.359 6.526 1.00 0.37 C ATOM 179 O LYS A 13 5.252 22.438 6.819 1.00 0.60 O ATOM 180 CB LYS A 13 4.663 20.575 4.418 1.00 0.54 C ATOM 181 CG LYS A 13 4.728 20.573 2.875 1.00 0.36 C ATOM 182 CD LYS A 13 3.321 20.218 2.286 1.00 0.75 C ATOM 183 CE LYS A 13 2.933 18.796 2.715 1.00 1.62 C ATOM 184 NZ LYS A 13 1.693 18.344 1.990 1.00 2.35 N ATOM 0 H LYS A 13 6.668 19.149 4.182 1.00 0.21 H new ATOM 0 HA LYS A 13 6.481 21.864 4.584 1.00 0.31 H new ATOM 0 HB2 LYS A 13 4.387 19.582 4.773 1.00 0.54 H new ATOM 0 HB3 LYS A 13 3.883 21.260 4.749 1.00 0.54 H new ATOM 0 HG2 LYS A 13 5.048 21.551 2.514 1.00 0.36 H new ATOM 0 HG3 LYS A 13 5.468 19.850 2.534 1.00 0.36 H new ATOM 0 HD2 LYS A 13 2.576 20.932 2.638 1.00 0.75 H new ATOM 0 HD3 LYS A 13 3.341 20.289 1.198 1.00 0.75 H new ATOM 0 HE2 LYS A 13 3.754 18.110 2.505 1.00 1.62 H new ATOM 0 HE3 LYS A 13 2.762 18.769 3.791 1.00 1.62 H new ATOM 0 HZ1 LYS A 13 1.446 17.380 2.293 1.00 2.35 H new ATOM 0 HZ2 LYS A 13 0.907 18.989 2.211 1.00 2.35 H new ATOM 0 HZ3 LYS A 13 1.868 18.350 0.965 1.00 2.35 H new ATOM 198 N HIS A 14 6.038 20.438 7.397 1.00 0.23 N ATOM 199 CA HIS A 14 5.827 20.592 8.876 1.00 0.32 C ATOM 200 C HIS A 14 7.071 20.717 9.731 1.00 0.46 C ATOM 201 O HIS A 14 6.965 20.803 10.946 1.00 1.13 O ATOM 202 CB HIS A 14 5.232 19.265 9.385 1.00 0.17 C ATOM 203 CG HIS A 14 3.815 19.104 8.854 1.00 0.77 C ATOM 204 ND1 HIS A 14 3.465 18.492 7.770 1.00 1.32 N ATOM 205 CD2 HIS A 14 2.627 19.567 9.384 1.00 1.19 C ATOM 206 CE1 HIS A 14 2.175 18.569 7.635 1.00 2.03 C ATOM 207 NE2 HIS A 14 1.615 19.229 8.616 1.00 1.98 N ATOM 0 H HIS A 14 6.447 19.541 7.135 1.00 0.23 H new ATOM 0 HA HIS A 14 5.233 21.501 8.969 1.00 0.32 H new ATOM 0 HB2 HIS A 14 5.850 18.429 9.059 1.00 0.17 H new ATOM 0 HB3 HIS A 14 5.226 19.252 10.475 1.00 0.17 H new ATOM 0 HD1 HIS A 14 4.100 18.024 7.124 1.00 1.32 H new ATOM 0 HD2 HIS A 14 2.541 20.129 10.302 1.00 1.19 H new ATOM 0 HE1 HIS A 14 1.629 18.138 6.809 1.00 2.03 H new ATOM 215 N LEU A 15 8.216 20.704 9.115 1.00 0.33 N ATOM 216 CA LEU A 15 9.426 20.821 9.931 1.00 0.29 C ATOM 217 C LEU A 15 9.363 21.912 10.987 1.00 0.24 C ATOM 218 O LEU A 15 9.064 23.067 10.748 1.00 0.13 O ATOM 219 CB LEU A 15 10.577 20.990 9.022 1.00 0.30 C ATOM 220 CG LEU A 15 10.704 19.743 8.161 1.00 0.26 C ATOM 221 CD1 LEU A 15 11.783 19.988 7.216 1.00 0.30 C ATOM 222 CD2 LEU A 15 10.980 18.471 8.932 1.00 0.24 C ATOM 0 H LEU A 15 8.355 20.619 8.108 1.00 0.33 H new ATOM 0 HA LEU A 15 9.533 19.905 10.513 1.00 0.29 H new ATOM 0 HB2 LEU A 15 10.437 21.870 8.394 1.00 0.30 H new ATOM 0 HB3 LEU A 15 11.491 21.149 9.595 1.00 0.30 H new ATOM 0 HG LEU A 15 9.744 19.574 7.674 1.00 0.26 H new ATOM 0 HD11 LEU A 15 11.910 19.116 6.575 1.00 0.30 H new ATOM 0 HD12 LEU A 15 11.540 20.856 6.603 1.00 0.30 H new ATOM 0 HD13 LEU A 15 12.708 20.176 7.761 1.00 0.30 H new ATOM 0 HD21 LEU A 15 11.055 17.634 8.238 1.00 0.24 H new ATOM 0 HD22 LEU A 15 11.917 18.573 9.480 1.00 0.24 H new ATOM 0 HD23 LEU A 15 10.167 18.288 9.635 1.00 0.24 H new ATOM 234 N LYS A 16 9.643 21.416 12.153 1.00 0.35 N ATOM 235 CA LYS A 16 9.684 22.225 13.418 1.00 0.40 C ATOM 236 C LYS A 16 10.200 23.622 13.109 1.00 0.32 C ATOM 237 O LYS A 16 9.716 24.611 13.619 1.00 0.25 O ATOM 238 CB LYS A 16 10.578 21.483 14.430 1.00 0.49 C ATOM 239 CG LYS A 16 9.927 20.128 14.756 1.00 1.75 C ATOM 240 CD LYS A 16 8.605 20.337 15.558 1.00 2.32 C ATOM 241 CE LYS A 16 7.771 19.082 15.429 1.00 3.61 C ATOM 242 NZ LYS A 16 7.358 18.946 14.000 1.00 3.89 N ATOM 0 H LYS A 16 9.858 20.429 12.297 1.00 0.35 H new ATOM 0 HA LYS A 16 8.690 22.338 13.851 1.00 0.40 H new ATOM 0 HB2 LYS A 16 11.575 21.334 14.016 1.00 0.49 H new ATOM 0 HB3 LYS A 16 10.695 22.075 15.338 1.00 0.49 H new ATOM 0 HG2 LYS A 16 9.718 19.587 13.833 1.00 1.75 H new ATOM 0 HG3 LYS A 16 10.618 19.516 15.335 1.00 1.75 H new ATOM 0 HD2 LYS A 16 8.824 20.542 16.606 1.00 2.32 H new ATOM 0 HD3 LYS A 16 8.059 21.198 15.173 1.00 2.32 H new ATOM 0 HE2 LYS A 16 8.344 18.210 15.745 1.00 3.61 H new ATOM 0 HE3 LYS A 16 6.895 19.139 16.075 1.00 3.61 H new ATOM 0 HZ1 LYS A 16 7.447 17.952 13.706 1.00 3.89 H new ATOM 0 HZ2 LYS A 16 6.369 19.251 13.894 1.00 3.89 H new ATOM 0 HZ3 LYS A 16 7.969 19.540 13.404 1.00 3.89 H new ATOM 256 N THR A 17 11.179 23.606 12.259 1.00 0.34 N ATOM 257 CA THR A 17 11.845 24.854 11.788 1.00 0.31 C ATOM 258 C THR A 17 11.489 24.927 10.309 1.00 0.47 C ATOM 259 O THR A 17 11.297 23.925 9.641 1.00 0.83 O ATOM 260 CB THR A 17 13.341 24.707 11.773 1.00 0.30 C ATOM 261 OG1 THR A 17 13.689 24.268 13.070 1.00 0.36 O ATOM 262 CG2 THR A 17 14.085 26.032 11.652 1.00 0.24 C ATOM 0 H THR A 17 11.562 22.751 11.854 1.00 0.34 H new ATOM 0 HA THR A 17 11.547 25.693 12.417 1.00 0.31 H new ATOM 0 HB THR A 17 13.598 24.059 10.935 1.00 0.30 H new ATOM 0 HG1 THR A 17 13.826 23.298 13.061 1.00 0.36 H new ATOM 0 HG21 THR A 17 15.159 25.847 11.648 1.00 0.24 H new ATOM 0 HG22 THR A 17 13.798 26.527 10.724 1.00 0.24 H new ATOM 0 HG23 THR A 17 13.830 26.671 12.498 1.00 0.24 H new ATOM 270 N LYS A 18 11.460 26.128 9.844 1.00 0.34 N ATOM 271 CA LYS A 18 11.120 26.380 8.420 1.00 0.49 C ATOM 272 C LYS A 18 12.410 26.270 7.603 1.00 0.38 C ATOM 273 O LYS A 18 13.256 27.131 7.759 1.00 0.32 O ATOM 274 CB LYS A 18 10.592 27.847 8.353 1.00 0.53 C ATOM 275 CG LYS A 18 10.430 28.318 6.879 1.00 1.51 C ATOM 276 CD LYS A 18 10.270 29.871 6.864 1.00 1.62 C ATOM 277 CE LYS A 18 10.194 30.370 5.411 1.00 3.00 C ATOM 278 NZ LYS A 18 9.999 31.861 5.421 1.00 4.00 N ATOM 0 H LYS A 18 11.659 26.965 10.392 1.00 0.34 H new ATOM 0 HA LYS A 18 10.382 25.676 8.035 1.00 0.49 H new ATOM 0 HB2 LYS A 18 9.633 27.915 8.867 1.00 0.53 H new ATOM 0 HB3 LYS A 18 11.282 28.509 8.876 1.00 0.53 H new ATOM 0 HG2 LYS A 18 11.298 28.022 6.290 1.00 1.51 H new ATOM 0 HG3 LYS A 18 9.560 27.844 6.424 1.00 1.51 H new ATOM 0 HD2 LYS A 18 9.369 30.159 7.405 1.00 1.62 H new ATOM 0 HD3 LYS A 18 11.112 30.338 7.376 1.00 1.62 H new ATOM 0 HE2 LYS A 18 11.107 30.112 4.875 1.00 3.00 H new ATOM 0 HE3 LYS A 18 9.370 29.885 4.888 1.00 3.00 H new ATOM 0 HZ1 LYS A 18 9.946 32.211 4.443 1.00 4.00 H new ATOM 0 HZ2 LYS A 18 9.116 32.092 5.920 1.00 4.00 H new ATOM 0 HZ3 LYS A 18 10.800 32.313 5.907 1.00 4.00 H new ATOM 292 N PRO A 19 12.587 25.265 6.770 1.00 0.38 N ATOM 293 CA PRO A 19 13.842 25.196 5.990 1.00 0.27 C ATOM 294 C PRO A 19 14.102 26.509 5.219 1.00 0.09 C ATOM 295 O PRO A 19 13.155 27.163 4.814 1.00 0.28 O ATOM 296 CB PRO A 19 13.603 24.045 5.032 1.00 0.50 C ATOM 297 CG PRO A 19 12.649 23.114 5.817 1.00 0.58 C ATOM 298 CD PRO A 19 11.674 24.117 6.498 1.00 0.55 C ATOM 0 HA PRO A 19 14.719 25.052 6.622 1.00 0.27 H new ATOM 0 HB2 PRO A 19 13.154 24.386 4.099 1.00 0.50 H new ATOM 0 HB3 PRO A 19 14.533 23.540 4.772 1.00 0.50 H new ATOM 0 HG2 PRO A 19 12.124 22.424 5.157 1.00 0.58 H new ATOM 0 HG3 PRO A 19 13.185 22.510 6.549 1.00 0.58 H new ATOM 0 HD2 PRO A 19 10.846 24.395 5.845 1.00 0.55 H new ATOM 0 HD3 PRO A 19 11.238 23.712 7.411 1.00 0.55 H new ATOM 306 N ALA A 20 15.346 26.868 5.036 1.00 0.15 N ATOM 307 CA ALA A 20 15.598 28.142 4.280 1.00 0.36 C ATOM 308 C ALA A 20 15.029 27.956 2.870 1.00 0.40 C ATOM 309 O ALA A 20 14.833 26.833 2.435 1.00 0.33 O ATOM 310 CB ALA A 20 17.121 28.398 4.176 1.00 0.59 C ATOM 0 H ALA A 20 16.171 26.363 5.360 1.00 0.15 H new ATOM 0 HA ALA A 20 15.131 28.986 4.789 1.00 0.36 H new ATOM 0 HB1 ALA A 20 17.298 29.323 3.627 1.00 0.59 H new ATOM 0 HB2 ALA A 20 17.545 28.483 5.177 1.00 0.59 H new ATOM 0 HB3 ALA A 20 17.594 27.568 3.651 1.00 0.59 H new ATOM 316 N ASP A 21 14.777 29.052 2.190 1.00 0.54 N ATOM 317 CA ASP A 21 14.227 28.960 0.800 1.00 0.63 C ATOM 318 C ASP A 21 15.000 27.861 0.084 1.00 0.54 C ATOM 319 O ASP A 21 14.483 26.828 -0.278 1.00 0.42 O ATOM 320 CB ASP A 21 14.453 30.326 0.141 1.00 0.64 C ATOM 321 CG ASP A 21 13.122 30.862 -0.322 1.00 1.29 C ATOM 322 OD1 ASP A 21 12.335 31.245 0.531 1.00 1.84 O ATOM 323 OD2 ASP A 21 12.907 30.862 -1.520 1.00 1.77 O ATOM 0 H ASP A 21 14.928 30.000 2.536 1.00 0.54 H new ATOM 0 HA ASP A 21 13.164 28.720 0.771 1.00 0.63 H new ATOM 0 HB2 ASP A 21 14.913 31.016 0.848 1.00 0.64 H new ATOM 0 HB3 ASP A 21 15.137 30.231 -0.703 1.00 0.64 H new ATOM 328 N GLU A 22 16.256 28.148 -0.071 1.00 0.65 N ATOM 329 CA GLU A 22 17.223 27.237 -0.730 1.00 0.60 C ATOM 330 C GLU A 22 17.039 25.760 -0.287 1.00 0.48 C ATOM 331 O GLU A 22 17.003 24.887 -1.128 1.00 0.46 O ATOM 332 CB GLU A 22 18.620 27.734 -0.282 1.00 0.98 C ATOM 333 CG GLU A 22 18.956 29.125 -0.894 1.00 1.29 C ATOM 334 CD GLU A 22 18.061 30.291 -0.442 1.00 2.95 C ATOM 335 OE1 GLU A 22 17.871 30.540 0.739 1.00 3.77 O ATOM 336 OE2 GLU A 22 17.556 30.947 -1.330 1.00 3.73 O ATOM 0 H GLU A 22 16.671 29.023 0.250 1.00 0.65 H new ATOM 0 HA GLU A 22 17.084 27.254 -1.811 1.00 0.60 H new ATOM 0 HB2 GLU A 22 18.653 27.797 0.806 1.00 0.98 H new ATOM 0 HB3 GLU A 22 19.378 27.011 -0.583 1.00 0.98 H new ATOM 0 HG2 GLU A 22 19.989 29.369 -0.648 1.00 1.29 H new ATOM 0 HG3 GLU A 22 18.897 29.047 -1.980 1.00 1.29 H new ATOM 343 N GLU A 23 16.922 25.447 0.981 1.00 0.49 N ATOM 344 CA GLU A 23 16.750 24.022 1.351 1.00 0.42 C ATOM 345 C GLU A 23 15.369 23.526 0.827 1.00 0.29 C ATOM 346 O GLU A 23 15.272 22.421 0.314 1.00 0.47 O ATOM 347 CB GLU A 23 17.055 23.968 2.845 1.00 0.47 C ATOM 348 CG GLU A 23 18.488 24.649 3.110 1.00 1.06 C ATOM 349 CD GLU A 23 19.254 24.061 4.303 1.00 0.61 C ATOM 350 OE1 GLU A 23 19.212 22.866 4.505 1.00 0.84 O ATOM 351 OE2 GLU A 23 19.906 24.789 5.037 1.00 1.34 O ATOM 0 H GLU A 23 16.939 26.108 1.757 1.00 0.49 H new ATOM 0 HA GLU A 23 17.425 23.303 0.886 1.00 0.42 H new ATOM 0 HB2 GLU A 23 16.280 24.490 3.407 1.00 0.47 H new ATOM 0 HB3 GLU A 23 17.059 22.935 3.192 1.00 0.47 H new ATOM 0 HG2 GLU A 23 19.099 24.544 2.213 1.00 1.06 H new ATOM 0 HG3 GLU A 23 18.345 25.717 3.275 1.00 1.06 H new ATOM 358 N MET A 24 14.345 24.335 0.969 1.00 0.10 N ATOM 359 CA MET A 24 12.977 23.962 0.477 1.00 0.28 C ATOM 360 C MET A 24 13.087 23.806 -1.058 1.00 0.32 C ATOM 361 O MET A 24 12.480 22.930 -1.631 1.00 0.43 O ATOM 362 CB MET A 24 11.977 25.114 0.764 1.00 0.34 C ATOM 363 CG MET A 24 11.722 25.311 2.267 1.00 0.61 C ATOM 364 SD MET A 24 10.322 26.370 2.709 1.00 0.54 S ATOM 365 CE MET A 24 11.158 27.939 2.382 1.00 1.15 C ATOM 0 H MET A 24 14.399 25.252 1.412 1.00 0.10 H new ATOM 0 HA MET A 24 12.631 23.052 0.967 1.00 0.28 H new ATOM 0 HB2 MET A 24 12.364 26.041 0.340 1.00 0.34 H new ATOM 0 HB3 MET A 24 11.032 24.904 0.263 1.00 0.34 H new ATOM 0 HG2 MET A 24 11.567 24.331 2.719 1.00 0.61 H new ATOM 0 HG3 MET A 24 12.623 25.730 2.715 1.00 0.61 H new ATOM 0 HE1 MET A 24 10.755 28.710 3.039 1.00 1.15 H new ATOM 0 HE2 MET A 24 12.226 27.827 2.567 1.00 1.15 H new ATOM 0 HE3 MET A 24 10.998 28.227 1.343 1.00 1.15 H new ATOM 375 N LEU A 25 13.839 24.656 -1.706 1.00 0.23 N ATOM 376 CA LEU A 25 14.037 24.624 -3.171 1.00 0.27 C ATOM 377 C LEU A 25 14.269 23.247 -3.747 1.00 0.26 C ATOM 378 O LEU A 25 13.620 22.855 -4.689 1.00 0.25 O ATOM 379 CB LEU A 25 15.098 25.587 -3.447 1.00 0.18 C ATOM 380 CG LEU A 25 14.589 27.038 -3.210 1.00 0.29 C ATOM 381 CD1 LEU A 25 14.896 27.699 -4.434 1.00 0.33 C ATOM 382 CD2 LEU A 25 13.102 27.274 -3.000 1.00 0.41 C ATOM 0 H LEU A 25 14.348 25.410 -1.244 1.00 0.23 H new ATOM 0 HA LEU A 25 13.120 24.907 -3.687 1.00 0.27 H new ATOM 0 HB2 LEU A 25 15.956 25.386 -2.805 1.00 0.18 H new ATOM 0 HB3 LEU A 25 15.438 25.478 -4.477 1.00 0.18 H new ATOM 0 HG LEU A 25 15.052 27.371 -2.281 1.00 0.29 H new ATOM 0 HD11 LEU A 25 14.576 28.739 -4.376 1.00 0.33 H new ATOM 0 HD12 LEU A 25 15.971 27.659 -4.609 1.00 0.33 H new ATOM 0 HD13 LEU A 25 14.376 27.205 -5.255 1.00 0.33 H new ATOM 0 HD21 LEU A 25 12.920 28.338 -2.850 1.00 0.41 H new ATOM 0 HD22 LEU A 25 12.552 26.932 -3.877 1.00 0.41 H new ATOM 0 HD23 LEU A 25 12.766 26.721 -2.123 1.00 0.41 H new ATOM 394 N PHE A 26 15.205 22.573 -3.157 1.00 0.28 N ATOM 395 CA PHE A 26 15.548 21.184 -3.599 1.00 0.27 C ATOM 396 C PHE A 26 14.239 20.350 -3.695 1.00 0.29 C ATOM 397 O PHE A 26 13.829 19.858 -4.729 1.00 0.30 O ATOM 398 CB PHE A 26 16.450 20.624 -2.512 1.00 0.30 C ATOM 399 CG PHE A 26 16.809 19.220 -2.972 1.00 0.31 C ATOM 400 CD1 PHE A 26 17.740 18.988 -3.967 1.00 1.21 C ATOM 401 CD2 PHE A 26 16.145 18.172 -2.396 1.00 1.48 C ATOM 402 CE1 PHE A 26 17.999 17.698 -4.380 1.00 1.20 C ATOM 403 CE2 PHE A 26 16.400 16.890 -2.807 1.00 1.50 C ATOM 404 CZ PHE A 26 17.325 16.648 -3.798 1.00 0.35 C ATOM 0 H PHE A 26 15.760 22.922 -2.376 1.00 0.28 H new ATOM 0 HA PHE A 26 16.038 21.161 -4.573 1.00 0.27 H new ATOM 0 HB2 PHE A 26 17.342 21.237 -2.387 1.00 0.30 H new ATOM 0 HB3 PHE A 26 15.940 20.604 -1.549 1.00 0.30 H new ATOM 0 HD1 PHE A 26 18.264 19.816 -4.421 1.00 1.21 H new ATOM 0 HD2 PHE A 26 15.420 18.355 -1.617 1.00 1.48 H new ATOM 0 HE1 PHE A 26 18.727 17.512 -5.156 1.00 1.20 H new ATOM 0 HE2 PHE A 26 15.873 16.065 -2.351 1.00 1.50 H new ATOM 0 HZ PHE A 26 17.522 15.636 -4.118 1.00 0.35 H new ATOM 414 N ILE A 27 13.638 20.247 -2.548 1.00 0.30 N ATOM 415 CA ILE A 27 12.355 19.512 -2.362 1.00 0.31 C ATOM 416 C ILE A 27 11.363 20.017 -3.418 1.00 0.23 C ATOM 417 O ILE A 27 10.885 19.293 -4.254 1.00 0.25 O ATOM 418 CB ILE A 27 11.930 19.942 -0.930 1.00 0.32 C ATOM 419 CG1 ILE A 27 12.251 18.935 0.180 1.00 0.32 C ATOM 420 CG2 ILE A 27 10.426 20.279 -0.763 1.00 0.27 C ATOM 421 CD1 ILE A 27 13.681 18.380 0.180 1.00 0.23 C ATOM 0 H ILE A 27 14.000 20.662 -1.689 1.00 0.30 H new ATOM 0 HA ILE A 27 12.413 18.429 -2.469 1.00 0.31 H new ATOM 0 HB ILE A 27 12.540 20.838 -0.818 1.00 0.32 H new ATOM 0 HG12 ILE A 27 12.066 19.412 1.143 1.00 0.32 H new ATOM 0 HG13 ILE A 27 11.556 18.099 0.099 1.00 0.32 H new ATOM 0 HG21 ILE A 27 10.230 20.567 0.270 1.00 0.27 H new ATOM 0 HG22 ILE A 27 10.162 21.103 -1.426 1.00 0.27 H new ATOM 0 HG23 ILE A 27 9.827 19.404 -1.015 1.00 0.27 H new ATOM 0 HD11 ILE A 27 13.799 17.678 1.006 1.00 0.23 H new ATOM 0 HD12 ILE A 27 13.872 17.867 -0.763 1.00 0.23 H new ATOM 0 HD13 ILE A 27 14.390 19.200 0.297 1.00 0.23 H new ATOM 433 N TYR A 28 11.087 21.285 -3.351 1.00 0.18 N ATOM 434 CA TYR A 28 10.139 21.936 -4.294 1.00 0.12 C ATOM 435 C TYR A 28 10.398 21.629 -5.772 1.00 0.12 C ATOM 436 O TYR A 28 9.564 21.082 -6.457 1.00 0.14 O ATOM 437 CB TYR A 28 10.229 23.447 -4.054 1.00 0.07 C ATOM 438 CG TYR A 28 9.270 24.082 -5.048 1.00 0.18 C ATOM 439 CD1 TYR A 28 7.914 24.004 -4.806 1.00 1.32 C ATOM 440 CD2 TYR A 28 9.743 24.705 -6.182 1.00 0.84 C ATOM 441 CE1 TYR A 28 7.008 24.543 -5.687 1.00 1.47 C ATOM 442 CE2 TYR A 28 8.815 25.247 -7.068 1.00 0.69 C ATOM 443 CZ TYR A 28 7.451 25.163 -6.822 1.00 0.49 C ATOM 444 OH TYR A 28 6.508 25.658 -7.698 1.00 0.69 O ATOM 0 H TYR A 28 11.491 21.917 -2.660 1.00 0.18 H new ATOM 0 HA TYR A 28 9.145 21.536 -4.094 1.00 0.12 H new ATOM 0 HB2 TYR A 28 9.953 23.697 -3.030 1.00 0.07 H new ATOM 0 HB3 TYR A 28 11.246 23.807 -4.207 1.00 0.07 H new ATOM 0 HD1 TYR A 28 7.560 23.513 -3.912 1.00 1.32 H new ATOM 0 HD2 TYR A 28 10.803 24.771 -6.378 1.00 0.84 H new ATOM 0 HE1 TYR A 28 5.949 24.477 -5.484 1.00 1.47 H new ATOM 0 HE2 TYR A 28 9.163 25.742 -7.963 1.00 0.69 H new ATOM 0 HH TYR A 28 6.783 25.464 -8.618 1.00 0.69 H new ATOM 454 N SER A 29 11.561 22.001 -6.194 1.00 0.13 N ATOM 455 CA SER A 29 12.020 21.810 -7.584 1.00 0.12 C ATOM 456 C SER A 29 11.782 20.373 -8.060 1.00 0.15 C ATOM 457 O SER A 29 11.087 20.109 -9.028 1.00 0.19 O ATOM 458 CB SER A 29 13.512 22.195 -7.567 1.00 0.15 C ATOM 459 OG SER A 29 14.132 21.204 -6.771 1.00 0.19 O ATOM 0 H SER A 29 12.250 22.456 -5.596 1.00 0.13 H new ATOM 0 HA SER A 29 11.466 22.426 -8.292 1.00 0.12 H new ATOM 0 HB2 SER A 29 13.928 22.211 -8.574 1.00 0.15 H new ATOM 0 HB3 SER A 29 13.659 23.190 -7.146 1.00 0.15 H new ATOM 0 HG SER A 29 13.721 21.195 -5.881 1.00 0.19 H new ATOM 465 N HIS A 30 12.377 19.461 -7.344 1.00 0.21 N ATOM 466 CA HIS A 30 12.222 18.043 -7.701 1.00 0.33 C ATOM 467 C HIS A 30 10.794 17.590 -7.493 1.00 0.29 C ATOM 468 O HIS A 30 10.261 16.912 -8.340 1.00 0.30 O ATOM 469 CB HIS A 30 13.166 17.277 -6.809 1.00 0.49 C ATOM 470 CG HIS A 30 14.491 17.077 -7.512 1.00 0.90 C ATOM 471 ND1 HIS A 30 14.627 16.622 -8.713 1.00 2.17 N ATOM 472 CD2 HIS A 30 15.772 17.298 -7.068 1.00 0.18 C ATOM 473 CE1 HIS A 30 15.893 16.555 -9.001 1.00 2.16 C ATOM 474 NE2 HIS A 30 16.638 16.969 -8.005 1.00 0.91 N ATOM 0 H HIS A 30 12.962 19.646 -6.529 1.00 0.21 H new ATOM 0 HA HIS A 30 12.452 17.873 -8.753 1.00 0.33 H new ATOM 0 HB2 HIS A 30 13.318 17.819 -5.875 1.00 0.49 H new ATOM 0 HB3 HIS A 30 12.732 16.311 -6.550 1.00 0.49 H new ATOM 0 HD2 HIS A 30 16.031 17.685 -6.094 1.00 0.18 H new ATOM 0 HE1 HIS A 30 16.283 16.202 -9.944 1.00 2.16 H new ATOM 0 HE2 HIS A 30 17.656 17.024 -7.965 1.00 0.91 H new ATOM 482 N TYR A 31 10.220 17.979 -6.384 1.00 0.23 N ATOM 483 CA TYR A 31 8.810 17.593 -6.056 1.00 0.17 C ATOM 484 C TYR A 31 7.990 17.895 -7.265 1.00 0.17 C ATOM 485 O TYR A 31 7.446 17.051 -7.945 1.00 0.23 O ATOM 486 CB TYR A 31 8.124 18.468 -4.924 1.00 0.16 C ATOM 487 CG TYR A 31 6.757 17.850 -4.572 1.00 0.14 C ATOM 488 CD1 TYR A 31 6.703 16.754 -3.717 1.00 0.72 C ATOM 489 CD2 TYR A 31 5.574 18.360 -5.098 1.00 0.95 C ATOM 490 CE1 TYR A 31 5.503 16.173 -3.389 1.00 0.76 C ATOM 491 CE2 TYR A 31 4.364 17.759 -4.747 1.00 0.89 C ATOM 492 CZ TYR A 31 4.328 16.663 -3.893 1.00 0.04 C ATOM 493 OH TYR A 31 3.148 16.040 -3.535 1.00 0.01 O ATOM 0 H TYR A 31 10.675 18.558 -5.678 1.00 0.23 H new ATOM 0 HA TYR A 31 8.852 16.553 -5.731 1.00 0.17 H new ATOM 0 HB2 TYR A 31 8.760 18.505 -4.039 1.00 0.16 H new ATOM 0 HB3 TYR A 31 7.996 19.495 -5.267 1.00 0.16 H new ATOM 0 HD1 TYR A 31 7.618 16.354 -3.305 1.00 0.72 H new ATOM 0 HD2 TYR A 31 5.592 19.207 -5.767 1.00 0.95 H new ATOM 0 HE1 TYR A 31 5.486 15.320 -2.726 1.00 0.76 H new ATOM 0 HE2 TYR A 31 3.440 18.152 -5.146 1.00 0.89 H new ATOM 0 HH TYR A 31 3.321 15.093 -3.352 1.00 0.01 H new ATOM 503 N LYS A 32 7.923 19.166 -7.510 1.00 0.15 N ATOM 504 CA LYS A 32 7.160 19.667 -8.649 1.00 0.16 C ATOM 505 C LYS A 32 7.527 18.843 -9.885 1.00 0.18 C ATOM 506 O LYS A 32 6.613 18.368 -10.518 1.00 0.16 O ATOM 507 CB LYS A 32 7.385 21.140 -8.601 1.00 0.16 C ATOM 508 CG LYS A 32 6.840 21.759 -7.269 1.00 0.12 C ATOM 509 CD LYS A 32 5.307 21.560 -7.065 1.00 0.14 C ATOM 510 CE LYS A 32 4.578 22.660 -7.757 1.00 0.19 C ATOM 511 NZ LYS A 32 3.160 22.235 -8.041 1.00 0.62 N ATOM 0 H LYS A 32 8.379 19.886 -6.950 1.00 0.15 H new ATOM 0 HA LYS A 32 6.077 19.541 -8.655 1.00 0.16 H new ATOM 0 HB2 LYS A 32 8.451 21.350 -8.692 1.00 0.16 H new ATOM 0 HB3 LYS A 32 6.893 21.612 -9.451 1.00 0.16 H new ATOM 0 HG2 LYS A 32 7.370 21.312 -6.428 1.00 0.12 H new ATOM 0 HG3 LYS A 32 7.064 22.826 -7.257 1.00 0.12 H new ATOM 0 HD2 LYS A 32 4.997 20.594 -7.463 1.00 0.14 H new ATOM 0 HD3 LYS A 32 5.066 21.559 -6.002 1.00 0.14 H new ATOM 0 HE2 LYS A 32 4.581 23.557 -7.137 1.00 0.19 H new ATOM 0 HE3 LYS A 32 5.084 22.914 -8.688 1.00 0.19 H new ATOM 0 HZ1 LYS A 32 2.973 22.309 -9.061 1.00 0.62 H new ATOM 0 HZ2 LYS A 32 3.025 21.250 -7.735 1.00 0.62 H new ATOM 0 HZ3 LYS A 32 2.502 22.852 -7.523 1.00 0.62 H new ATOM 525 N GLN A 33 8.781 18.668 -10.223 1.00 0.26 N ATOM 526 CA GLN A 33 9.089 17.825 -11.444 1.00 0.31 C ATOM 527 C GLN A 33 8.473 16.429 -11.421 1.00 0.43 C ATOM 528 O GLN A 33 7.829 15.980 -12.342 1.00 0.49 O ATOM 529 CB GLN A 33 10.593 17.614 -11.505 1.00 0.29 C ATOM 530 CG GLN A 33 11.190 18.789 -12.204 1.00 0.44 C ATOM 531 CD GLN A 33 11.262 18.516 -13.684 1.00 0.35 C ATOM 532 OE1 GLN A 33 12.261 18.077 -14.188 1.00 0.47 O ATOM 533 NE2 GLN A 33 10.239 18.733 -14.437 1.00 0.52 N ATOM 0 H GLN A 33 9.588 19.053 -9.732 1.00 0.26 H new ATOM 0 HA GLN A 33 8.673 18.366 -12.294 1.00 0.31 H new ATOM 0 HB2 GLN A 33 11.006 17.516 -10.501 1.00 0.29 H new ATOM 0 HB3 GLN A 33 10.828 16.693 -12.038 1.00 0.29 H new ATOM 0 HG2 GLN A 33 10.589 19.679 -12.017 1.00 0.44 H new ATOM 0 HG3 GLN A 33 12.187 18.989 -11.812 1.00 0.44 H new ATOM 0 HE21 GLN A 33 9.379 19.105 -14.034 1.00 0.52 H new ATOM 0 HE22 GLN A 33 10.289 18.533 -15.436 1.00 0.52 H new ATOM 542 N ALA A 34 8.726 15.794 -10.330 1.00 0.45 N ATOM 543 CA ALA A 34 8.249 14.415 -10.051 1.00 0.53 C ATOM 544 C ALA A 34 6.722 14.209 -9.924 1.00 0.45 C ATOM 545 O ALA A 34 6.195 13.172 -10.269 1.00 0.51 O ATOM 546 CB ALA A 34 8.869 14.153 -8.678 1.00 0.48 C ATOM 0 H ALA A 34 9.277 16.194 -9.571 1.00 0.45 H new ATOM 0 HA ALA A 34 8.522 13.762 -10.880 1.00 0.53 H new ATOM 0 HB1 ALA A 34 8.596 13.153 -8.340 1.00 0.48 H new ATOM 0 HB2 ALA A 34 9.954 14.229 -8.748 1.00 0.48 H new ATOM 0 HB3 ALA A 34 8.499 14.890 -7.965 1.00 0.48 H new ATOM 552 N THR A 35 6.073 15.218 -9.424 1.00 0.37 N ATOM 553 CA THR A 35 4.582 15.192 -9.207 1.00 0.36 C ATOM 554 C THR A 35 3.718 15.967 -10.190 1.00 0.58 C ATOM 555 O THR A 35 2.635 15.546 -10.541 1.00 1.03 O ATOM 556 CB THR A 35 4.320 15.776 -7.814 1.00 0.31 C ATOM 557 OG1 THR A 35 4.746 17.124 -7.870 1.00 0.49 O ATOM 558 CG2 THR A 35 5.299 15.214 -6.820 1.00 0.16 C ATOM 0 H THR A 35 6.518 16.092 -9.145 1.00 0.37 H new ATOM 0 HA THR A 35 4.294 14.149 -9.343 1.00 0.36 H new ATOM 0 HB THR A 35 3.279 15.592 -7.548 1.00 0.31 H new ATOM 0 HG1 THR A 35 4.860 17.469 -6.960 1.00 0.49 H new ATOM 0 HG21 THR A 35 5.101 15.637 -5.835 1.00 0.16 H new ATOM 0 HG22 THR A 35 5.192 14.130 -6.777 1.00 0.16 H new ATOM 0 HG23 THR A 35 6.314 15.467 -7.126 1.00 0.16 H new ATOM 566 N VAL A 36 4.243 17.079 -10.593 1.00 0.27 N ATOM 567 CA VAL A 36 3.556 18.005 -11.564 1.00 0.42 C ATOM 568 C VAL A 36 4.122 17.843 -12.970 1.00 0.51 C ATOM 569 O VAL A 36 3.402 17.627 -13.923 1.00 0.70 O ATOM 570 CB VAL A 36 3.931 19.457 -11.134 1.00 0.38 C ATOM 571 CG1 VAL A 36 3.288 20.502 -12.038 1.00 0.53 C ATOM 572 CG2 VAL A 36 3.551 19.680 -9.709 1.00 0.38 C ATOM 0 H VAL A 36 5.157 17.410 -10.285 1.00 0.27 H new ATOM 0 HA VAL A 36 2.487 17.794 -11.561 1.00 0.42 H new ATOM 0 HB VAL A 36 5.010 19.569 -11.236 1.00 0.38 H new ATOM 0 HG11 VAL A 36 3.575 21.499 -11.703 1.00 0.53 H new ATOM 0 HG12 VAL A 36 3.625 20.353 -13.064 1.00 0.53 H new ATOM 0 HG13 VAL A 36 2.203 20.403 -11.994 1.00 0.53 H new ATOM 0 HG21 VAL A 36 3.816 20.696 -9.416 1.00 0.38 H new ATOM 0 HG22 VAL A 36 2.477 19.537 -9.592 1.00 0.38 H new ATOM 0 HG23 VAL A 36 4.082 18.970 -9.075 1.00 0.38 H new ATOM 582 N GLY A 37 5.421 17.971 -12.977 1.00 0.40 N ATOM 583 CA GLY A 37 6.291 17.873 -14.194 1.00 0.51 C ATOM 584 C GLY A 37 7.183 19.116 -14.412 1.00 0.37 C ATOM 585 O GLY A 37 7.719 19.760 -13.523 1.00 0.24 O ATOM 0 H GLY A 37 5.953 18.153 -12.126 1.00 0.40 H new ATOM 0 HA2 GLY A 37 6.925 16.990 -14.108 1.00 0.51 H new ATOM 0 HA3 GLY A 37 5.661 17.729 -15.072 1.00 0.51 H new ATOM 589 N ASP A 38 7.326 19.415 -15.669 1.00 0.43 N ATOM 590 CA ASP A 38 8.132 20.565 -16.165 1.00 0.33 C ATOM 591 C ASP A 38 7.537 21.964 -15.864 1.00 0.41 C ATOM 592 O ASP A 38 6.634 22.423 -16.540 1.00 0.88 O ATOM 593 CB ASP A 38 8.201 20.279 -17.684 1.00 0.27 C ATOM 594 CG ASP A 38 9.333 19.311 -18.028 1.00 0.31 C ATOM 595 OD1 ASP A 38 9.650 18.485 -17.192 1.00 0.70 O ATOM 596 OD2 ASP A 38 9.807 19.480 -19.130 1.00 1.11 O ATOM 0 H ASP A 38 6.890 18.876 -16.417 1.00 0.43 H new ATOM 0 HA ASP A 38 9.099 20.625 -15.666 1.00 0.33 H new ATOM 0 HB2 ASP A 38 7.251 19.862 -18.019 1.00 0.27 H new ATOM 0 HB3 ASP A 38 8.346 21.215 -18.224 1.00 0.27 H new ATOM 601 N ILE A 39 8.114 22.611 -14.876 1.00 0.30 N ATOM 602 CA ILE A 39 7.683 23.976 -14.407 1.00 0.28 C ATOM 603 C ILE A 39 6.707 24.715 -15.334 1.00 0.31 C ATOM 604 O ILE A 39 7.044 25.364 -16.303 1.00 0.24 O ATOM 605 CB ILE A 39 8.889 24.728 -13.962 1.00 0.20 C ATOM 606 CG1 ILE A 39 8.369 25.847 -13.055 1.00 0.20 C ATOM 607 CG2 ILE A 39 9.785 25.231 -15.113 1.00 0.16 C ATOM 608 CD1 ILE A 39 9.561 26.365 -12.362 1.00 0.11 C ATOM 0 H ILE A 39 8.902 22.232 -14.351 1.00 0.30 H new ATOM 0 HA ILE A 39 7.034 23.863 -13.538 1.00 0.28 H new ATOM 0 HB ILE A 39 9.568 24.069 -13.421 1.00 0.20 H new ATOM 0 HG12 ILE A 39 7.879 26.629 -13.635 1.00 0.20 H new ATOM 0 HG13 ILE A 39 7.633 25.469 -12.345 1.00 0.20 H new ATOM 0 HG21 ILE A 39 10.640 25.768 -14.701 1.00 0.16 H new ATOM 0 HG22 ILE A 39 10.138 24.381 -15.698 1.00 0.16 H new ATOM 0 HG23 ILE A 39 9.212 25.900 -15.755 1.00 0.16 H new ATOM 0 HD11 ILE A 39 9.269 27.173 -11.691 1.00 0.11 H new ATOM 0 HD12 ILE A 39 10.024 25.564 -11.786 1.00 0.11 H new ATOM 0 HD13 ILE A 39 10.273 26.742 -13.096 1.00 0.11 H new ATOM 620 N ASN A 40 5.488 24.524 -14.926 1.00 0.42 N ATOM 621 CA ASN A 40 4.258 25.074 -15.576 1.00 0.49 C ATOM 622 C ASN A 40 3.448 25.991 -14.625 1.00 0.46 C ATOM 623 O ASN A 40 2.238 25.927 -14.529 1.00 0.48 O ATOM 624 CB ASN A 40 3.444 23.808 -15.909 1.00 0.41 C ATOM 625 CG ASN A 40 3.184 23.077 -14.604 1.00 1.26 C ATOM 626 OD1 ASN A 40 4.075 22.573 -13.958 1.00 1.84 O ATOM 627 ND2 ASN A 40 1.981 22.992 -14.154 1.00 2.27 N ATOM 0 H ASN A 40 5.277 23.963 -14.101 1.00 0.42 H new ATOM 0 HA ASN A 40 4.495 25.694 -16.440 1.00 0.49 H new ATOM 0 HB2 ASN A 40 2.504 24.073 -16.394 1.00 0.41 H new ATOM 0 HB3 ASN A 40 3.992 23.171 -16.603 1.00 0.41 H new ATOM 0 HD21 ASN A 40 1.799 22.509 -13.274 1.00 2.27 H new ATOM 0 HD22 ASN A 40 1.210 23.407 -14.677 1.00 2.27 H new ATOM 634 N THR A 41 4.208 26.795 -13.948 1.00 0.53 N ATOM 635 CA THR A 41 3.682 27.803 -12.956 1.00 0.59 C ATOM 636 C THR A 41 3.978 29.181 -13.529 1.00 0.87 C ATOM 637 O THR A 41 3.107 30.009 -13.667 1.00 2.01 O ATOM 638 CB THR A 41 4.442 27.699 -11.613 1.00 0.48 C ATOM 639 OG1 THR A 41 5.826 27.656 -11.946 1.00 0.43 O ATOM 640 CG2 THR A 41 4.287 26.352 -11.012 1.00 0.37 C ATOM 0 H THR A 41 5.224 26.805 -14.037 1.00 0.53 H new ATOM 0 HA THR A 41 2.620 27.628 -12.786 1.00 0.59 H new ATOM 0 HB THR A 41 4.094 28.506 -10.968 1.00 0.48 H new ATOM 0 HG1 THR A 41 6.259 28.484 -11.651 1.00 0.43 H new ATOM 0 HG21 THR A 41 4.832 26.309 -10.069 1.00 0.37 H new ATOM 0 HG22 THR A 41 3.231 26.154 -10.830 1.00 0.37 H new ATOM 0 HG23 THR A 41 4.684 25.601 -11.695 1.00 0.37 H new ATOM 648 N GLU A 42 5.247 29.271 -13.798 1.00 0.23 N ATOM 649 CA GLU A 42 6.018 30.406 -14.374 1.00 0.35 C ATOM 650 C GLU A 42 6.857 31.208 -13.423 1.00 0.21 C ATOM 651 O GLU A 42 6.618 31.305 -12.235 1.00 0.14 O ATOM 652 CB GLU A 42 5.219 31.281 -15.216 1.00 0.78 C ATOM 653 CG GLU A 42 5.003 30.476 -16.538 1.00 2.45 C ATOM 654 CD GLU A 42 4.123 31.154 -17.591 1.00 3.11 C ATOM 655 OE1 GLU A 42 3.771 32.305 -17.394 1.00 2.85 O ATOM 656 OE2 GLU A 42 3.865 30.451 -18.557 1.00 4.08 O ATOM 0 H GLU A 42 5.862 28.479 -13.609 1.00 0.23 H new ATOM 0 HA GLU A 42 6.738 29.877 -14.999 1.00 0.35 H new ATOM 0 HB2 GLU A 42 4.268 31.526 -14.742 1.00 0.78 H new ATOM 0 HB3 GLU A 42 5.732 32.224 -15.406 1.00 0.78 H new ATOM 0 HG2 GLU A 42 5.978 30.273 -16.982 1.00 2.45 H new ATOM 0 HG3 GLU A 42 4.560 29.512 -16.287 1.00 2.45 H new ATOM 663 N ARG A 43 7.835 31.776 -14.057 1.00 0.22 N ATOM 664 CA ARG A 43 8.813 32.605 -13.323 1.00 0.14 C ATOM 665 C ARG A 43 8.452 34.060 -12.926 1.00 0.22 C ATOM 666 O ARG A 43 8.117 34.838 -13.794 1.00 0.19 O ATOM 667 CB ARG A 43 10.027 32.648 -14.264 1.00 0.27 C ATOM 668 CG ARG A 43 11.248 33.071 -13.458 1.00 0.30 C ATOM 669 CD ARG A 43 12.455 33.164 -14.370 1.00 0.44 C ATOM 670 NE ARG A 43 13.603 33.381 -13.436 1.00 0.51 N ATOM 671 CZ ARG A 43 13.721 34.489 -12.810 1.00 1.22 C ATOM 672 NH1 ARG A 43 13.702 35.625 -13.370 1.00 1.76 N ATOM 673 NH2 ARG A 43 13.851 34.402 -11.577 1.00 2.52 N ATOM 0 H ARG A 43 7.999 31.700 -15.061 1.00 0.22 H new ATOM 0 HA ARG A 43 8.933 32.140 -12.344 1.00 0.14 H new ATOM 0 HB2 ARG A 43 10.191 31.670 -14.715 1.00 0.27 H new ATOM 0 HB3 ARG A 43 9.850 33.349 -15.079 1.00 0.27 H new ATOM 0 HG2 ARG A 43 11.065 34.034 -12.981 1.00 0.30 H new ATOM 0 HG3 ARG A 43 11.437 32.352 -12.661 1.00 0.30 H new ATOM 0 HD2 ARG A 43 12.584 32.253 -14.955 1.00 0.44 H new ATOM 0 HD3 ARG A 43 12.357 33.986 -15.079 1.00 0.44 H new ATOM 0 HE ARG A 43 14.293 32.643 -13.298 1.00 0.51 H new ATOM 0 HH11 ARG A 43 13.587 35.693 -14.381 1.00 1.76 H new ATOM 0 HH12 ARG A 43 13.802 36.472 -12.810 1.00 1.76 H new ATOM 0 HH21 ARG A 43 13.858 33.486 -11.128 1.00 2.52 H new ATOM 0 HH22 ARG A 43 13.950 35.247 -11.014 1.00 2.52 H new ATOM 687 N PRO A 44 8.503 34.355 -11.631 1.00 0.30 N ATOM 688 CA PRO A 44 8.214 35.721 -11.062 1.00 0.40 C ATOM 689 C PRO A 44 8.806 36.935 -11.850 1.00 0.59 C ATOM 690 O PRO A 44 9.529 36.782 -12.814 1.00 0.59 O ATOM 691 CB PRO A 44 8.905 35.612 -9.683 1.00 0.39 C ATOM 692 CG PRO A 44 8.568 34.172 -9.257 1.00 0.28 C ATOM 693 CD PRO A 44 8.826 33.361 -10.544 1.00 0.29 C ATOM 0 HA PRO A 44 7.145 35.931 -11.073 1.00 0.40 H new ATOM 0 HB2 PRO A 44 9.981 35.773 -9.754 1.00 0.39 H new ATOM 0 HB3 PRO A 44 8.518 36.346 -8.976 1.00 0.39 H new ATOM 0 HG2 PRO A 44 9.200 33.836 -8.435 1.00 0.28 H new ATOM 0 HG3 PRO A 44 7.534 34.081 -8.923 1.00 0.28 H new ATOM 0 HD2 PRO A 44 9.858 33.015 -10.605 1.00 0.29 H new ATOM 0 HD3 PRO A 44 8.190 32.478 -10.601 1.00 0.29 H new ATOM 701 N GLY A 45 8.514 38.130 -11.410 1.00 1.00 N ATOM 702 CA GLY A 45 9.053 39.326 -12.150 1.00 1.30 C ATOM 703 C GLY A 45 10.358 39.949 -11.671 1.00 2.25 C ATOM 704 O GLY A 45 10.970 39.566 -10.699 1.00 2.39 O ATOM 0 H GLY A 45 7.941 38.336 -10.592 1.00 1.00 H new ATOM 0 HA2 GLY A 45 9.186 39.038 -13.193 1.00 1.30 H new ATOM 0 HA3 GLY A 45 8.288 40.102 -12.129 1.00 1.30 H new ATOM 708 N MET A 46 10.689 40.939 -12.456 1.00 3.50 N ATOM 709 CA MET A 46 11.903 41.804 -12.331 1.00 4.63 C ATOM 710 C MET A 46 12.654 41.702 -10.996 1.00 4.44 C ATOM 711 O MET A 46 13.806 41.320 -10.979 1.00 4.68 O ATOM 712 CB MET A 46 11.421 43.264 -12.592 1.00 5.63 C ATOM 713 CG MET A 46 10.907 43.410 -14.051 1.00 6.00 C ATOM 714 SD MET A 46 9.398 42.532 -14.540 1.00 4.89 S ATOM 715 CE MET A 46 8.594 43.844 -15.495 1.00 5.58 C ATOM 0 H MET A 46 10.109 41.204 -13.252 1.00 3.50 H new ATOM 0 HA MET A 46 12.642 41.463 -13.055 1.00 4.63 H new ATOM 0 HB2 MET A 46 10.627 43.522 -11.892 1.00 5.63 H new ATOM 0 HB3 MET A 46 12.240 43.961 -12.416 1.00 5.63 H new ATOM 0 HG2 MET A 46 10.746 44.472 -14.239 1.00 6.00 H new ATOM 0 HG3 MET A 46 11.707 43.086 -14.716 1.00 6.00 H new ATOM 0 HE1 MET A 46 7.640 43.482 -15.879 1.00 5.58 H new ATOM 0 HE2 MET A 46 8.422 44.708 -14.853 1.00 5.58 H new ATOM 0 HE3 MET A 46 9.235 44.133 -16.328 1.00 5.58 H new ATOM 725 N LEU A 47 12.005 42.026 -9.912 1.00 4.06 N ATOM 726 CA LEU A 47 12.709 41.940 -8.600 1.00 3.90 C ATOM 727 C LEU A 47 12.655 40.510 -8.045 1.00 3.36 C ATOM 728 O LEU A 47 12.222 40.295 -6.937 1.00 2.56 O ATOM 729 CB LEU A 47 12.085 42.953 -7.585 1.00 3.94 C ATOM 730 CG LEU A 47 12.539 44.406 -7.819 1.00 4.55 C ATOM 731 CD1 LEU A 47 11.910 44.969 -9.100 1.00 5.35 C ATOM 732 CD2 LEU A 47 12.063 45.229 -6.605 1.00 3.87 C ATOM 0 H LEU A 47 11.036 42.341 -9.875 1.00 4.06 H new ATOM 0 HA LEU A 47 13.756 42.201 -8.751 1.00 3.90 H new ATOM 0 HB2 LEU A 47 10.998 42.903 -7.654 1.00 3.94 H new ATOM 0 HB3 LEU A 47 12.354 42.654 -6.572 1.00 3.94 H new ATOM 0 HG LEU A 47 13.622 44.452 -7.930 1.00 4.55 H new ATOM 0 HD11 LEU A 47 12.243 45.996 -9.248 1.00 5.35 H new ATOM 0 HD12 LEU A 47 12.216 44.362 -9.952 1.00 5.35 H new ATOM 0 HD13 LEU A 47 10.824 44.949 -9.011 1.00 5.35 H new ATOM 0 HD21 LEU A 47 12.365 46.269 -6.730 1.00 3.87 H new ATOM 0 HD22 LEU A 47 10.977 45.173 -6.530 1.00 3.87 H new ATOM 0 HD23 LEU A 47 12.510 44.828 -5.696 1.00 3.87 H new ATOM 744 N ASP A 48 13.083 39.568 -8.830 1.00 3.86 N ATOM 745 CA ASP A 48 13.099 38.137 -8.399 1.00 3.53 C ATOM 746 C ASP A 48 13.335 37.888 -6.864 1.00 2.32 C ATOM 747 O ASP A 48 14.456 37.692 -6.429 1.00 3.03 O ATOM 748 CB ASP A 48 14.206 37.555 -9.279 1.00 4.62 C ATOM 749 CG ASP A 48 13.672 37.285 -10.668 1.00 4.92 C ATOM 750 OD1 ASP A 48 12.685 36.579 -10.716 1.00 4.39 O ATOM 751 OD2 ASP A 48 14.266 37.755 -11.613 1.00 5.85 O ATOM 0 H ASP A 48 13.432 39.728 -9.775 1.00 3.86 H new ATOM 0 HA ASP A 48 12.125 37.665 -8.526 1.00 3.53 H new ATOM 0 HB2 ASP A 48 15.044 38.250 -9.331 1.00 4.62 H new ATOM 0 HB3 ASP A 48 14.584 36.632 -8.840 1.00 4.62 H new ATOM 756 N PHE A 49 12.291 37.897 -6.068 1.00 0.80 N ATOM 757 CA PHE A 49 12.441 37.674 -4.578 1.00 0.56 C ATOM 758 C PHE A 49 12.560 36.173 -4.164 1.00 0.52 C ATOM 759 O PHE A 49 12.802 35.325 -5.002 1.00 0.46 O ATOM 760 CB PHE A 49 11.216 38.347 -3.863 1.00 1.97 C ATOM 761 CG PHE A 49 11.049 39.863 -4.149 1.00 1.80 C ATOM 762 CD1 PHE A 49 12.021 40.805 -3.828 1.00 1.07 C ATOM 763 CD2 PHE A 49 9.876 40.309 -4.736 1.00 2.79 C ATOM 764 CE1 PHE A 49 11.813 42.155 -4.091 1.00 1.43 C ATOM 765 CE2 PHE A 49 9.667 41.648 -4.997 1.00 2.79 C ATOM 766 CZ PHE A 49 10.636 42.569 -4.674 1.00 2.03 C ATOM 0 H PHE A 49 11.332 38.050 -6.381 1.00 0.80 H new ATOM 0 HA PHE A 49 13.383 38.126 -4.269 1.00 0.56 H new ATOM 0 HB2 PHE A 49 10.306 37.831 -4.169 1.00 1.97 H new ATOM 0 HB3 PHE A 49 11.317 38.203 -2.787 1.00 1.97 H new ATOM 0 HD1 PHE A 49 12.946 40.485 -3.370 1.00 1.07 H new ATOM 0 HD2 PHE A 49 9.109 39.594 -4.995 1.00 2.79 H new ATOM 0 HE1 PHE A 49 12.574 42.878 -3.838 1.00 1.43 H new ATOM 0 HE2 PHE A 49 8.744 41.972 -5.454 1.00 2.79 H new ATOM 0 HZ PHE A 49 10.474 43.617 -4.878 1.00 2.03 H new ATOM 776 N LYS A 50 12.400 35.830 -2.910 1.00 1.13 N ATOM 777 CA LYS A 50 12.518 34.376 -2.526 1.00 1.44 C ATOM 778 C LYS A 50 11.202 33.600 -2.799 1.00 1.14 C ATOM 779 O LYS A 50 10.583 32.942 -1.979 1.00 1.13 O ATOM 780 CB LYS A 50 13.025 34.258 -1.080 1.00 2.42 C ATOM 781 CG LYS A 50 14.582 34.349 -1.022 1.00 3.16 C ATOM 782 CD LYS A 50 15.010 34.082 0.457 1.00 3.94 C ATOM 783 CE LYS A 50 16.541 34.187 0.703 1.00 4.90 C ATOM 784 NZ LYS A 50 17.286 33.095 -0.003 1.00 5.83 N ATOM 0 H LYS A 50 12.197 36.473 -2.145 1.00 1.13 H new ATOM 0 HA LYS A 50 13.261 33.894 -3.162 1.00 1.44 H new ATOM 0 HB2 LYS A 50 12.588 35.051 -0.472 1.00 2.42 H new ATOM 0 HB3 LYS A 50 12.697 33.311 -0.652 1.00 2.42 H new ATOM 0 HG2 LYS A 50 15.035 33.617 -1.691 1.00 3.16 H new ATOM 0 HG3 LYS A 50 14.922 35.332 -1.349 1.00 3.16 H new ATOM 0 HD2 LYS A 50 14.499 34.793 1.106 1.00 3.94 H new ATOM 0 HD3 LYS A 50 14.674 33.087 0.747 1.00 3.94 H new ATOM 0 HE2 LYS A 50 16.901 35.156 0.358 1.00 4.90 H new ATOM 0 HE3 LYS A 50 16.743 34.134 1.773 1.00 4.90 H new ATOM 0 HZ1 LYS A 50 18.179 33.471 -0.379 1.00 5.83 H new ATOM 0 HZ2 LYS A 50 17.489 32.325 0.666 1.00 5.83 H new ATOM 0 HZ3 LYS A 50 16.707 32.730 -0.786 1.00 5.83 H new ATOM 798 N GLY A 51 10.842 33.759 -4.045 1.00 0.91 N ATOM 799 CA GLY A 51 9.629 33.148 -4.660 1.00 0.53 C ATOM 800 C GLY A 51 10.291 32.547 -5.880 1.00 0.36 C ATOM 801 O GLY A 51 10.329 31.351 -6.074 1.00 0.33 O ATOM 0 H GLY A 51 11.379 34.326 -4.701 1.00 0.91 H new ATOM 0 HA2 GLY A 51 9.158 32.401 -4.020 1.00 0.53 H new ATOM 0 HA3 GLY A 51 8.863 33.882 -4.910 1.00 0.53 H new ATOM 805 N LYS A 52 10.818 33.431 -6.682 1.00 0.31 N ATOM 806 CA LYS A 52 11.521 33.039 -7.930 1.00 0.24 C ATOM 807 C LYS A 52 12.503 31.940 -7.693 1.00 0.14 C ATOM 808 O LYS A 52 12.708 31.138 -8.558 1.00 0.18 O ATOM 809 CB LYS A 52 12.232 34.281 -8.416 1.00 0.19 C ATOM 810 CG LYS A 52 13.745 34.105 -8.731 1.00 1.17 C ATOM 811 CD LYS A 52 14.538 34.144 -7.431 1.00 2.15 C ATOM 812 CE LYS A 52 15.878 34.826 -7.647 1.00 2.73 C ATOM 813 NZ LYS A 52 16.044 35.781 -6.519 1.00 3.31 N ATOM 0 H LYS A 52 10.788 34.437 -6.516 1.00 0.31 H new ATOM 0 HA LYS A 52 10.811 32.660 -8.665 1.00 0.24 H new ATOM 0 HB2 LYS A 52 11.730 34.637 -9.316 1.00 0.19 H new ATOM 0 HB3 LYS A 52 12.124 35.060 -7.661 1.00 0.19 H new ATOM 0 HG2 LYS A 52 13.913 33.159 -9.245 1.00 1.17 H new ATOM 0 HG3 LYS A 52 14.083 34.896 -9.401 1.00 1.17 H new ATOM 0 HD2 LYS A 52 13.971 34.677 -6.668 1.00 2.15 H new ATOM 0 HD3 LYS A 52 14.694 33.130 -7.063 1.00 2.15 H new ATOM 0 HE2 LYS A 52 16.688 34.097 -7.662 1.00 2.73 H new ATOM 0 HE3 LYS A 52 15.900 35.347 -8.604 1.00 2.73 H new ATOM 0 HZ1 LYS A 52 16.927 36.316 -6.644 1.00 3.31 H new ATOM 0 HZ2 LYS A 52 15.240 36.440 -6.501 1.00 3.31 H new ATOM 0 HZ3 LYS A 52 16.081 35.256 -5.622 1.00 3.31 H new ATOM 827 N ALA A 53 13.096 31.938 -6.539 1.00 0.26 N ATOM 828 CA ALA A 53 14.084 30.865 -6.257 1.00 0.15 C ATOM 829 C ALA A 53 13.390 29.522 -6.493 1.00 0.14 C ATOM 830 O ALA A 53 13.895 28.691 -7.212 1.00 0.17 O ATOM 831 CB ALA A 53 14.520 31.060 -4.858 1.00 0.30 C ATOM 0 H ALA A 53 12.946 32.616 -5.792 1.00 0.26 H new ATOM 0 HA ALA A 53 14.964 30.890 -6.900 1.00 0.15 H new ATOM 0 HB1 ALA A 53 15.251 30.295 -4.595 1.00 0.30 H new ATOM 0 HB2 ALA A 53 14.972 32.046 -4.752 1.00 0.30 H new ATOM 0 HB3 ALA A 53 13.659 30.983 -4.194 1.00 0.30 H new ATOM 837 N LYS A 54 12.245 29.345 -5.881 1.00 0.12 N ATOM 838 CA LYS A 54 11.486 28.062 -6.067 1.00 0.13 C ATOM 839 C LYS A 54 11.373 27.768 -7.546 1.00 0.09 C ATOM 840 O LYS A 54 11.663 26.685 -8.023 1.00 0.13 O ATOM 841 CB LYS A 54 10.001 28.205 -5.601 1.00 0.24 C ATOM 842 CG LYS A 54 9.818 28.102 -4.095 1.00 0.34 C ATOM 843 CD LYS A 54 10.346 29.368 -3.421 1.00 0.93 C ATOM 844 CE LYS A 54 9.884 29.366 -1.972 1.00 0.78 C ATOM 845 NZ LYS A 54 10.407 30.599 -1.344 1.00 1.36 N ATOM 0 H LYS A 54 11.803 30.026 -5.264 1.00 0.12 H new ATOM 0 HA LYS A 54 12.016 27.296 -5.500 1.00 0.13 H new ATOM 0 HB2 LYS A 54 9.615 29.166 -5.940 1.00 0.24 H new ATOM 0 HB3 LYS A 54 9.402 27.433 -6.084 1.00 0.24 H new ATOM 0 HG2 LYS A 54 8.763 27.965 -3.856 1.00 0.34 H new ATOM 0 HG3 LYS A 54 10.347 27.229 -3.714 1.00 0.34 H new ATOM 0 HD2 LYS A 54 11.434 29.400 -3.472 1.00 0.93 H new ATOM 0 HD3 LYS A 54 9.976 30.255 -3.936 1.00 0.93 H new ATOM 0 HE2 LYS A 54 8.796 29.337 -1.915 1.00 0.78 H new ATOM 0 HE3 LYS A 54 10.254 28.483 -1.452 1.00 0.78 H new ATOM 0 HZ1 LYS A 54 10.495 30.456 -0.318 1.00 1.36 H new ATOM 0 HZ2 LYS A 54 11.341 30.823 -1.743 1.00 1.36 H new ATOM 0 HZ3 LYS A 54 9.754 31.387 -1.529 1.00 1.36 H new ATOM 859 N TRP A 55 10.952 28.811 -8.209 1.00 0.08 N ATOM 860 CA TRP A 55 10.746 28.778 -9.655 1.00 0.13 C ATOM 861 C TRP A 55 11.949 28.266 -10.375 1.00 0.12 C ATOM 862 O TRP A 55 11.930 27.220 -10.986 1.00 0.10 O ATOM 863 CB TRP A 55 10.411 30.191 -10.185 1.00 0.18 C ATOM 864 CG TRP A 55 9.910 29.856 -11.569 1.00 0.19 C ATOM 865 CD1 TRP A 55 8.630 29.573 -11.793 1.00 0.22 C ATOM 866 CD2 TRP A 55 10.602 29.699 -12.718 1.00 0.16 C ATOM 867 NE1 TRP A 55 8.628 29.249 -13.051 1.00 0.21 N ATOM 868 CE2 TRP A 55 9.751 29.293 -13.701 1.00 0.17 C ATOM 869 CE3 TRP A 55 11.907 29.874 -13.039 1.00 0.14 C ATOM 870 CZ2 TRP A 55 10.150 29.052 -14.980 1.00 0.16 C ATOM 871 CZ3 TRP A 55 12.341 29.643 -14.317 1.00 0.16 C ATOM 872 CH2 TRP A 55 11.470 29.226 -15.308 1.00 0.17 C ATOM 0 H TRP A 55 10.739 29.710 -7.776 1.00 0.08 H new ATOM 0 HA TRP A 55 9.913 28.101 -9.843 1.00 0.13 H new ATOM 0 HB2 TRP A 55 9.655 30.692 -9.581 1.00 0.18 H new ATOM 0 HB3 TRP A 55 11.284 30.843 -10.207 1.00 0.18 H new ATOM 0 HD1 TRP A 55 7.800 29.605 -11.102 1.00 0.22 H new ATOM 0 HE1 TRP A 55 7.765 28.967 -13.517 1.00 0.21 H new ATOM 0 HE3 TRP A 55 12.608 30.197 -12.283 1.00 0.14 H new ATOM 0 HZ2 TRP A 55 9.438 28.729 -15.725 1.00 0.16 H new ATOM 0 HZ3 TRP A 55 13.384 29.789 -14.556 1.00 0.16 H new ATOM 0 HH2 TRP A 55 11.820 29.042 -16.313 1.00 0.17 H new ATOM 883 N ASP A 56 12.959 29.061 -10.246 1.00 0.13 N ATOM 884 CA ASP A 56 14.236 28.725 -10.903 1.00 0.13 C ATOM 885 C ASP A 56 14.744 27.365 -10.470 1.00 0.13 C ATOM 886 O ASP A 56 15.111 26.586 -11.318 1.00 0.20 O ATOM 887 CB ASP A 56 15.186 29.821 -10.666 1.00 0.18 C ATOM 888 CG ASP A 56 14.949 31.031 -11.536 1.00 0.15 C ATOM 889 OD1 ASP A 56 14.731 30.877 -12.723 1.00 0.91 O ATOM 890 OD2 ASP A 56 15.003 32.092 -10.967 1.00 1.25 O ATOM 0 H ASP A 56 12.956 29.931 -9.713 1.00 0.13 H new ATOM 0 HA ASP A 56 14.096 28.633 -11.980 1.00 0.13 H new ATOM 0 HB2 ASP A 56 15.127 30.120 -9.620 1.00 0.18 H new ATOM 0 HB3 ASP A 56 16.198 29.455 -10.837 1.00 0.18 H new ATOM 895 N ALA A 57 14.773 27.079 -9.195 1.00 0.06 N ATOM 896 CA ALA A 57 15.254 25.761 -8.737 1.00 0.06 C ATOM 897 C ALA A 57 14.464 24.662 -9.493 1.00 0.06 C ATOM 898 O ALA A 57 15.053 23.802 -10.112 1.00 0.21 O ATOM 899 CB ALA A 57 15.038 25.767 -7.230 1.00 0.09 C ATOM 0 H ALA A 57 14.480 27.713 -8.452 1.00 0.06 H new ATOM 0 HA ALA A 57 16.305 25.559 -8.943 1.00 0.06 H new ATOM 0 HB1 ALA A 57 15.372 24.818 -6.811 1.00 0.09 H new ATOM 0 HB2 ALA A 57 15.609 26.581 -6.784 1.00 0.09 H new ATOM 0 HB3 ALA A 57 13.979 25.906 -7.015 1.00 0.09 H new ATOM 905 N TRP A 58 13.160 24.697 -9.443 1.00 0.09 N ATOM 906 CA TRP A 58 12.334 23.670 -10.154 1.00 0.06 C ATOM 907 C TRP A 58 12.663 23.731 -11.622 1.00 0.08 C ATOM 908 O TRP A 58 12.978 22.736 -12.238 1.00 0.07 O ATOM 909 CB TRP A 58 10.846 23.982 -9.925 1.00 0.02 C ATOM 910 CG TRP A 58 9.931 23.020 -10.728 1.00 0.04 C ATOM 911 CD1 TRP A 58 10.260 21.920 -11.498 1.00 0.06 C ATOM 912 CD2 TRP A 58 8.602 23.181 -10.771 1.00 0.06 C ATOM 913 NE1 TRP A 58 9.060 21.530 -11.934 1.00 0.09 N ATOM 914 CE2 TRP A 58 8.015 22.228 -11.551 1.00 0.10 C ATOM 915 CE3 TRP A 58 7.840 24.129 -10.148 1.00 0.08 C ATOM 916 CZ2 TRP A 58 6.649 22.217 -11.729 1.00 0.14 C ATOM 917 CZ3 TRP A 58 6.487 24.126 -10.315 1.00 0.11 C ATOM 918 CH2 TRP A 58 5.882 23.181 -11.105 1.00 0.14 C ATOM 0 H TRP A 58 12.623 25.400 -8.935 1.00 0.09 H new ATOM 0 HA TRP A 58 12.547 22.670 -9.776 1.00 0.06 H new ATOM 0 HB2 TRP A 58 10.616 23.902 -8.863 1.00 0.02 H new ATOM 0 HB3 TRP A 58 10.640 25.011 -10.219 1.00 0.02 H new ATOM 0 HD1 TRP A 58 11.231 21.490 -11.695 1.00 0.06 H new ATOM 0 HE1 TRP A 58 8.958 20.718 -12.543 1.00 0.09 H new ATOM 0 HE3 TRP A 58 8.308 24.878 -9.526 1.00 0.08 H new ATOM 0 HZ2 TRP A 58 6.184 21.464 -12.348 1.00 0.14 H new ATOM 0 HZ3 TRP A 58 5.885 24.875 -9.821 1.00 0.11 H new ATOM 0 HH2 TRP A 58 4.810 23.191 -11.238 1.00 0.14 H new ATOM 929 N ASN A 59 12.574 24.891 -12.179 1.00 0.11 N ATOM 930 CA ASN A 59 12.875 25.083 -13.608 1.00 0.13 C ATOM 931 C ASN A 59 14.160 24.333 -13.999 1.00 0.12 C ATOM 932 O ASN A 59 14.156 23.597 -14.961 1.00 0.12 O ATOM 933 CB ASN A 59 12.974 26.557 -13.663 1.00 0.24 C ATOM 934 CG ASN A 59 13.480 27.052 -14.946 1.00 0.12 C ATOM 935 OD1 ASN A 59 14.432 27.903 -14.800 1.00 0.34 O flip ATOM 936 ND2 ASN A 59 13.036 26.698 -16.019 1.00 0.03 N flip ATOM 0 H ASN A 59 12.296 25.741 -11.687 1.00 0.11 H new ATOM 0 HA ASN A 59 12.147 24.687 -14.316 1.00 0.13 H new ATOM 0 HB2 ASN A 59 11.991 26.988 -13.476 1.00 0.24 H new ATOM 0 HB3 ASN A 59 13.630 26.901 -12.863 1.00 0.24 H new ATOM 0 HD21 ASN A 59 12.278 26.017 -16.058 1.00 0.03 H new ATOM 0 HD22 ASN A 59 13.421 27.082 -16.882 1.00 0.03 H new ATOM 943 N GLU A 60 15.178 24.559 -13.223 1.00 0.12 N ATOM 944 CA GLU A 60 16.524 23.940 -13.406 1.00 0.11 C ATOM 945 C GLU A 60 16.414 22.447 -13.804 1.00 0.08 C ATOM 946 O GLU A 60 17.250 21.875 -14.473 1.00 0.14 O ATOM 947 CB GLU A 60 17.276 24.199 -12.076 1.00 0.13 C ATOM 948 CG GLU A 60 18.804 24.213 -12.305 1.00 0.30 C ATOM 949 CD GLU A 60 19.520 24.896 -11.130 1.00 0.77 C ATOM 950 OE1 GLU A 60 19.433 24.380 -10.027 1.00 1.48 O ATOM 951 OE2 GLU A 60 20.125 25.917 -11.412 1.00 1.53 O ATOM 0 H GLU A 60 15.129 25.186 -12.420 1.00 0.12 H new ATOM 0 HA GLU A 60 17.082 24.377 -14.234 1.00 0.11 H new ATOM 0 HB2 GLU A 60 16.958 25.152 -11.653 1.00 0.13 H new ATOM 0 HB3 GLU A 60 17.019 23.427 -11.351 1.00 0.13 H new ATOM 0 HG2 GLU A 60 19.170 23.192 -12.417 1.00 0.30 H new ATOM 0 HG3 GLU A 60 19.033 24.738 -13.232 1.00 0.30 H new ATOM 958 N LEU A 61 15.342 21.867 -13.357 1.00 0.08 N ATOM 959 CA LEU A 61 15.006 20.443 -13.598 1.00 0.14 C ATOM 960 C LEU A 61 14.251 20.114 -14.876 1.00 0.18 C ATOM 961 O LEU A 61 14.571 19.150 -15.545 1.00 0.30 O ATOM 962 CB LEU A 61 14.104 20.082 -12.512 1.00 0.16 C ATOM 963 CG LEU A 61 14.704 20.484 -11.178 1.00 0.17 C ATOM 964 CD1 LEU A 61 13.809 19.907 -10.223 1.00 0.17 C ATOM 965 CD2 LEU A 61 16.073 19.922 -10.986 1.00 0.22 C ATOM 0 H LEU A 61 14.643 22.357 -12.799 1.00 0.08 H new ATOM 0 HA LEU A 61 15.956 19.913 -13.670 1.00 0.14 H new ATOM 0 HB2 LEU A 61 13.142 20.575 -12.650 1.00 0.16 H new ATOM 0 HB3 LEU A 61 13.917 19.008 -12.526 1.00 0.16 H new ATOM 0 HG LEU A 61 14.811 21.565 -11.092 1.00 0.17 H new ATOM 0 HD11 LEU A 61 14.153 20.139 -9.215 1.00 0.17 H new ATOM 0 HD12 LEU A 61 12.809 20.316 -10.368 1.00 0.17 H new ATOM 0 HD13 LEU A 61 13.782 18.826 -10.357 1.00 0.17 H new ATOM 0 HD21 LEU A 61 16.463 20.236 -10.018 1.00 0.22 H new ATOM 0 HD22 LEU A 61 16.028 18.834 -11.023 1.00 0.22 H new ATOM 0 HD23 LEU A 61 16.730 20.285 -11.776 1.00 0.22 H new ATOM 977 N LYS A 62 13.290 20.977 -15.104 1.00 0.11 N ATOM 978 CA LYS A 62 12.341 20.957 -16.248 1.00 0.19 C ATOM 979 C LYS A 62 12.805 20.020 -17.388 1.00 0.26 C ATOM 980 O LYS A 62 13.337 20.347 -18.432 1.00 0.32 O ATOM 981 CB LYS A 62 12.003 22.391 -16.600 1.00 0.19 C ATOM 982 CG LYS A 62 10.772 22.298 -17.500 1.00 0.50 C ATOM 983 CD LYS A 62 10.552 23.661 -18.263 1.00 1.67 C ATOM 984 CE LYS A 62 9.202 23.700 -19.029 1.00 2.73 C ATOM 985 NZ LYS A 62 8.070 24.048 -18.096 1.00 4.55 N ATOM 0 H LYS A 62 13.120 21.763 -14.477 1.00 0.11 H new ATOM 0 HA LYS A 62 11.394 20.488 -15.983 1.00 0.19 H new ATOM 0 HB2 LYS A 62 11.795 22.978 -15.706 1.00 0.19 H new ATOM 0 HB3 LYS A 62 12.832 22.877 -17.114 1.00 0.19 H new ATOM 0 HG2 LYS A 62 10.897 21.487 -18.218 1.00 0.50 H new ATOM 0 HG3 LYS A 62 9.892 22.061 -16.902 1.00 0.50 H new ATOM 0 HD2 LYS A 62 10.585 24.484 -17.549 1.00 1.67 H new ATOM 0 HD3 LYS A 62 11.370 23.817 -18.966 1.00 1.67 H new ATOM 0 HE2 LYS A 62 9.256 24.434 -19.833 1.00 2.73 H new ATOM 0 HE3 LYS A 62 9.013 22.732 -19.493 1.00 2.73 H new ATOM 0 HZ1 LYS A 62 7.458 24.759 -18.544 1.00 4.55 H new ATOM 0 HZ2 LYS A 62 7.515 23.193 -17.890 1.00 4.55 H new ATOM 0 HZ3 LYS A 62 8.456 24.432 -17.210 1.00 4.55 H new ATOM 999 N GLY A 63 12.493 18.826 -17.009 1.00 0.26 N ATOM 1000 CA GLY A 63 12.758 17.567 -17.762 1.00 0.31 C ATOM 1001 C GLY A 63 13.682 16.535 -17.058 1.00 0.26 C ATOM 1002 O GLY A 63 14.281 15.753 -17.768 1.00 0.39 O ATOM 0 H GLY A 63 12.019 18.653 -16.122 1.00 0.26 H new ATOM 0 HA2 GLY A 63 11.803 17.085 -17.973 1.00 0.31 H new ATOM 0 HA3 GLY A 63 13.203 17.828 -18.722 1.00 0.31 H new ATOM 1006 N THR A 64 13.820 16.496 -15.743 1.00 0.23 N ATOM 1007 CA THR A 64 14.714 15.475 -15.101 1.00 0.29 C ATOM 1008 C THR A 64 13.975 14.147 -14.902 1.00 0.21 C ATOM 1009 O THR A 64 12.762 14.053 -14.982 1.00 0.34 O ATOM 1010 CB THR A 64 15.038 15.988 -13.637 1.00 0.29 C ATOM 1011 OG1 THR A 64 16.446 16.092 -13.579 1.00 0.41 O ATOM 1012 CG2 THR A 64 14.725 14.981 -12.464 1.00 0.29 C ATOM 0 H THR A 64 13.351 17.127 -15.093 1.00 0.23 H new ATOM 0 HA THR A 64 15.593 15.337 -15.731 1.00 0.29 H new ATOM 0 HB THR A 64 14.438 16.887 -13.496 1.00 0.29 H new ATOM 0 HG1 THR A 64 16.714 16.409 -12.691 1.00 0.41 H new ATOM 0 HG21 THR A 64 14.987 15.440 -11.511 1.00 0.29 H new ATOM 0 HG22 THR A 64 13.663 14.735 -12.469 1.00 0.29 H new ATOM 0 HG23 THR A 64 15.309 14.071 -12.600 1.00 0.29 H new ATOM 1020 N SER A 65 14.726 13.111 -14.617 1.00 0.23 N ATOM 1021 CA SER A 65 14.093 11.763 -14.387 1.00 0.42 C ATOM 1022 C SER A 65 13.116 11.890 -13.190 1.00 0.30 C ATOM 1023 O SER A 65 13.517 12.060 -12.057 1.00 0.31 O ATOM 1024 CB SER A 65 15.202 10.699 -14.150 1.00 0.67 C ATOM 1025 OG SER A 65 14.671 9.737 -13.243 1.00 1.28 O ATOM 0 H SER A 65 15.742 13.134 -14.533 1.00 0.23 H new ATOM 0 HA SER A 65 13.526 11.433 -15.257 1.00 0.42 H new ATOM 0 HB2 SER A 65 15.489 10.226 -15.089 1.00 0.67 H new ATOM 0 HB3 SER A 65 16.099 11.162 -13.739 1.00 0.67 H new ATOM 0 HG SER A 65 15.400 9.344 -12.719 1.00 1.28 H new ATOM 1031 N LYS A 66 11.840 11.838 -13.484 1.00 0.27 N ATOM 1032 CA LYS A 66 10.777 11.942 -12.420 1.00 0.22 C ATOM 1033 C LYS A 66 11.123 11.106 -11.178 1.00 0.20 C ATOM 1034 O LYS A 66 10.873 11.468 -10.048 1.00 0.24 O ATOM 1035 CB LYS A 66 9.514 11.367 -13.042 1.00 0.20 C ATOM 1036 CG LYS A 66 9.007 12.282 -14.170 1.00 1.25 C ATOM 1037 CD LYS A 66 8.054 11.481 -15.106 1.00 1.95 C ATOM 1038 CE LYS A 66 8.842 10.588 -16.097 1.00 3.65 C ATOM 1039 NZ LYS A 66 9.321 9.329 -15.440 1.00 4.33 N ATOM 0 H LYS A 66 11.478 11.726 -14.431 1.00 0.27 H new ATOM 0 HA LYS A 66 10.673 12.979 -12.099 1.00 0.22 H new ATOM 0 HB2 LYS A 66 9.716 10.371 -13.436 1.00 0.20 H new ATOM 0 HB3 LYS A 66 8.743 11.258 -12.280 1.00 0.20 H new ATOM 0 HG2 LYS A 66 8.482 13.139 -13.748 1.00 1.25 H new ATOM 0 HG3 LYS A 66 9.849 12.673 -14.741 1.00 1.25 H new ATOM 0 HD2 LYS A 66 7.391 10.860 -14.504 1.00 1.95 H new ATOM 0 HD3 LYS A 66 7.423 12.174 -15.663 1.00 1.95 H new ATOM 0 HE2 LYS A 66 8.207 10.337 -16.947 1.00 3.65 H new ATOM 0 HE3 LYS A 66 9.695 11.142 -16.489 1.00 3.65 H new ATOM 0 HZ1 LYS A 66 9.309 8.551 -16.130 1.00 4.33 H new ATOM 0 HZ2 LYS A 66 10.291 9.467 -15.091 1.00 4.33 H new ATOM 0 HZ3 LYS A 66 8.696 9.094 -14.642 1.00 4.33 H new ATOM 1053 N GLU A 67 11.727 10.001 -11.471 1.00 0.20 N ATOM 1054 CA GLU A 67 12.154 9.024 -10.471 1.00 0.29 C ATOM 1055 C GLU A 67 13.315 9.650 -9.732 1.00 0.28 C ATOM 1056 O GLU A 67 13.294 9.708 -8.514 1.00 0.25 O ATOM 1057 CB GLU A 67 12.565 7.798 -11.327 1.00 0.38 C ATOM 1058 CG GLU A 67 11.327 7.154 -12.074 1.00 1.10 C ATOM 1059 CD GLU A 67 10.768 7.948 -13.267 1.00 2.81 C ATOM 1060 OE1 GLU A 67 11.443 8.750 -13.898 1.00 3.92 O ATOM 1061 OE2 GLU A 67 9.604 7.697 -13.520 1.00 3.40 O ATOM 0 H GLU A 67 11.951 9.728 -12.428 1.00 0.20 H new ATOM 0 HA GLU A 67 11.415 8.733 -9.725 1.00 0.29 H new ATOM 0 HB2 GLU A 67 13.313 8.102 -12.060 1.00 0.38 H new ATOM 0 HB3 GLU A 67 13.032 7.049 -10.687 1.00 0.38 H new ATOM 0 HG2 GLU A 67 11.616 6.164 -12.426 1.00 1.10 H new ATOM 0 HG3 GLU A 67 10.525 7.013 -11.350 1.00 1.10 H new ATOM 1068 N ASP A 68 14.310 10.112 -10.444 1.00 0.32 N ATOM 1069 CA ASP A 68 15.449 10.735 -9.771 1.00 0.32 C ATOM 1070 C ASP A 68 14.991 11.797 -8.824 1.00 0.32 C ATOM 1071 O ASP A 68 15.344 11.802 -7.660 1.00 0.37 O ATOM 1072 CB ASP A 68 16.420 11.155 -10.820 1.00 0.49 C ATOM 1073 CG ASP A 68 17.310 9.942 -11.030 1.00 0.91 C ATOM 1074 OD1 ASP A 68 18.082 9.712 -10.115 1.00 2.05 O ATOM 1075 OD2 ASP A 68 17.147 9.327 -12.065 1.00 0.78 O ATOM 0 H ASP A 68 14.368 10.077 -11.462 1.00 0.32 H new ATOM 0 HA ASP A 68 15.981 10.041 -9.120 1.00 0.32 H new ATOM 0 HB2 ASP A 68 15.910 11.436 -11.741 1.00 0.49 H new ATOM 0 HB3 ASP A 68 17.000 12.021 -10.499 1.00 0.49 H new ATOM 1080 N ALA A 69 14.196 12.657 -9.382 1.00 0.31 N ATOM 1081 CA ALA A 69 13.628 13.782 -8.598 1.00 0.36 C ATOM 1082 C ALA A 69 13.114 13.256 -7.246 1.00 0.32 C ATOM 1083 O ALA A 69 13.477 13.782 -6.218 1.00 0.32 O ATOM 1084 CB ALA A 69 12.510 14.384 -9.442 1.00 0.33 C ATOM 0 H ALA A 69 13.911 12.629 -10.361 1.00 0.31 H new ATOM 0 HA ALA A 69 14.372 14.548 -8.377 1.00 0.36 H new ATOM 0 HB1 ALA A 69 12.059 15.219 -8.906 1.00 0.33 H new ATOM 0 HB2 ALA A 69 12.919 14.739 -10.388 1.00 0.33 H new ATOM 0 HB3 ALA A 69 11.752 13.625 -9.636 1.00 0.33 H new ATOM 1090 N MET A 70 12.293 12.236 -7.315 1.00 0.28 N ATOM 1091 CA MET A 70 11.707 11.597 -6.136 1.00 0.24 C ATOM 1092 C MET A 70 12.724 10.966 -5.194 1.00 0.22 C ATOM 1093 O MET A 70 12.752 11.258 -4.016 1.00 0.26 O ATOM 1094 CB MET A 70 10.826 10.463 -6.680 1.00 0.26 C ATOM 1095 CG MET A 70 9.511 11.026 -7.234 1.00 0.26 C ATOM 1096 SD MET A 70 8.195 9.849 -7.630 1.00 0.39 S ATOM 1097 CE MET A 70 6.785 10.982 -7.501 1.00 0.53 C ATOM 0 H MET A 70 12.003 11.813 -8.197 1.00 0.28 H new ATOM 0 HA MET A 70 11.181 12.359 -5.560 1.00 0.24 H new ATOM 0 HB2 MET A 70 11.358 9.925 -7.465 1.00 0.26 H new ATOM 0 HB3 MET A 70 10.616 9.745 -5.887 1.00 0.26 H new ATOM 0 HG2 MET A 70 9.118 11.737 -6.508 1.00 0.26 H new ATOM 0 HG3 MET A 70 9.741 11.589 -8.139 1.00 0.26 H new ATOM 0 HE1 MET A 70 5.928 10.558 -8.025 1.00 0.53 H new ATOM 0 HE2 MET A 70 6.532 11.130 -6.451 1.00 0.53 H new ATOM 0 HE3 MET A 70 7.046 11.940 -7.950 1.00 0.53 H new ATOM 1107 N LYS A 71 13.537 10.107 -5.734 1.00 0.21 N ATOM 1108 CA LYS A 71 14.581 9.408 -4.928 1.00 0.24 C ATOM 1109 C LYS A 71 15.314 10.478 -4.144 1.00 0.31 C ATOM 1110 O LYS A 71 15.349 10.504 -2.927 1.00 0.35 O ATOM 1111 CB LYS A 71 15.457 8.616 -5.948 1.00 0.34 C ATOM 1112 CG LYS A 71 16.805 9.180 -6.427 1.00 1.93 C ATOM 1113 CD LYS A 71 17.870 9.181 -5.308 1.00 3.09 C ATOM 1114 CE LYS A 71 19.183 9.733 -5.847 1.00 4.12 C ATOM 1115 NZ LYS A 71 20.195 9.550 -4.764 1.00 5.37 N ATOM 0 H LYS A 71 13.524 9.852 -6.722 1.00 0.21 H new ATOM 0 HA LYS A 71 14.208 8.689 -4.199 1.00 0.24 H new ATOM 0 HB2 LYS A 71 15.656 7.638 -5.509 1.00 0.34 H new ATOM 0 HB3 LYS A 71 14.845 8.449 -6.835 1.00 0.34 H new ATOM 0 HG2 LYS A 71 17.166 8.588 -7.268 1.00 1.93 H new ATOM 0 HG3 LYS A 71 16.662 10.198 -6.791 1.00 1.93 H new ATOM 0 HD2 LYS A 71 17.528 9.786 -4.468 1.00 3.09 H new ATOM 0 HD3 LYS A 71 18.017 8.168 -4.932 1.00 3.09 H new ATOM 0 HE2 LYS A 71 19.483 9.205 -6.752 1.00 4.12 H new ATOM 0 HE3 LYS A 71 19.082 10.786 -6.110 1.00 4.12 H new ATOM 0 HZ1 LYS A 71 20.767 10.414 -4.674 1.00 5.37 H new ATOM 0 HZ2 LYS A 71 19.710 9.361 -3.864 1.00 5.37 H new ATOM 0 HZ3 LYS A 71 20.814 8.748 -4.999 1.00 5.37 H new ATOM 1129 N ALA A 72 15.843 11.326 -4.982 1.00 0.32 N ATOM 1130 CA ALA A 72 16.633 12.509 -4.556 1.00 0.32 C ATOM 1131 C ALA A 72 15.858 13.186 -3.421 1.00 0.30 C ATOM 1132 O ALA A 72 16.321 13.246 -2.301 1.00 0.33 O ATOM 1133 CB ALA A 72 16.801 13.396 -5.796 1.00 0.34 C ATOM 0 H ALA A 72 15.752 11.238 -5.994 1.00 0.32 H new ATOM 0 HA ALA A 72 17.626 12.270 -4.177 1.00 0.32 H new ATOM 0 HB1 ALA A 72 17.378 14.283 -5.534 1.00 0.34 H new ATOM 0 HB2 ALA A 72 17.325 12.839 -6.573 1.00 0.34 H new ATOM 0 HB3 ALA A 72 15.820 13.697 -6.164 1.00 0.34 H new ATOM 1139 N TYR A 73 14.700 13.668 -3.776 1.00 0.26 N ATOM 1140 CA TYR A 73 13.799 14.346 -2.814 1.00 0.24 C ATOM 1141 C TYR A 73 13.872 13.738 -1.398 1.00 0.24 C ATOM 1142 O TYR A 73 14.260 14.393 -0.453 1.00 0.39 O ATOM 1143 CB TYR A 73 12.418 14.105 -3.409 1.00 0.25 C ATOM 1144 CG TYR A 73 11.325 14.912 -2.790 1.00 0.26 C ATOM 1145 CD1 TYR A 73 11.090 16.167 -3.258 1.00 0.80 C ATOM 1146 CD2 TYR A 73 10.565 14.411 -1.767 1.00 0.93 C ATOM 1147 CE1 TYR A 73 10.104 16.921 -2.698 1.00 0.78 C ATOM 1148 CE2 TYR A 73 9.575 15.189 -1.226 1.00 0.92 C ATOM 1149 CZ TYR A 73 9.343 16.450 -1.691 1.00 0.29 C ATOM 1150 OH TYR A 73 8.362 17.282 -1.200 1.00 0.30 O ATOM 0 H TYR A 73 14.333 13.616 -4.726 1.00 0.26 H new ATOM 0 HA TYR A 73 14.061 15.396 -2.687 1.00 0.24 H new ATOM 0 HB2 TYR A 73 12.453 14.324 -4.476 1.00 0.25 H new ATOM 0 HB3 TYR A 73 12.173 13.048 -3.308 1.00 0.25 H new ATOM 0 HD1 TYR A 73 11.682 16.564 -4.069 1.00 0.80 H new ATOM 0 HD2 TYR A 73 10.744 13.414 -1.391 1.00 0.93 H new ATOM 0 HE1 TYR A 73 9.928 17.920 -3.070 1.00 0.78 H new ATOM 0 HE2 TYR A 73 8.970 14.798 -0.421 1.00 0.92 H new ATOM 0 HH TYR A 73 7.614 17.315 -1.833 1.00 0.30 H new ATOM 1160 N ILE A 74 13.504 12.487 -1.299 1.00 0.13 N ATOM 1161 CA ILE A 74 13.526 11.813 0.056 1.00 0.10 C ATOM 1162 C ILE A 74 14.946 11.848 0.620 1.00 0.13 C ATOM 1163 O ILE A 74 15.205 12.423 1.662 1.00 0.14 O ATOM 1164 CB ILE A 74 13.301 10.249 0.043 1.00 0.13 C ATOM 1165 CG1 ILE A 74 12.350 9.739 -1.023 1.00 0.15 C ATOM 1166 CG2 ILE A 74 12.868 9.892 1.478 1.00 0.09 C ATOM 1167 CD1 ILE A 74 12.836 8.327 -1.425 1.00 0.67 C ATOM 0 H ILE A 74 13.193 11.903 -2.075 1.00 0.13 H new ATOM 0 HA ILE A 74 12.742 12.342 0.598 1.00 0.10 H new ATOM 0 HB ILE A 74 14.222 9.741 -0.242 1.00 0.13 H new ATOM 0 HG12 ILE A 74 11.329 9.702 -0.643 1.00 0.15 H new ATOM 0 HG13 ILE A 74 12.345 10.405 -1.886 1.00 0.15 H new ATOM 0 HG21 ILE A 74 12.692 8.819 1.549 1.00 0.09 H new ATOM 0 HG22 ILE A 74 13.654 10.178 2.177 1.00 0.09 H new ATOM 0 HG23 ILE A 74 11.951 10.427 1.725 1.00 0.09 H new ATOM 0 HD11 ILE A 74 12.178 7.921 -2.193 1.00 0.67 H new ATOM 0 HD12 ILE A 74 13.852 8.389 -1.814 1.00 0.67 H new ATOM 0 HD13 ILE A 74 12.821 7.675 -0.552 1.00 0.67 H new ATOM 1179 N ASP A 75 15.799 11.201 -0.149 1.00 0.14 N ATOM 1180 CA ASP A 75 17.249 11.058 0.158 1.00 0.19 C ATOM 1181 C ASP A 75 17.850 12.297 0.776 1.00 0.25 C ATOM 1182 O ASP A 75 18.680 12.260 1.664 1.00 0.40 O ATOM 1183 CB ASP A 75 17.949 10.689 -1.170 1.00 0.21 C ATOM 1184 CG ASP A 75 18.324 9.213 -1.335 1.00 1.01 C ATOM 1185 OD1 ASP A 75 18.184 8.466 -0.384 1.00 1.81 O ATOM 1186 OD2 ASP A 75 18.749 8.951 -2.450 1.00 1.62 O ATOM 0 H ASP A 75 15.523 10.747 -1.020 1.00 0.14 H new ATOM 0 HA ASP A 75 17.390 10.281 0.909 1.00 0.19 H new ATOM 0 HB2 ASP A 75 17.296 10.973 -1.995 1.00 0.21 H new ATOM 0 HB3 ASP A 75 18.855 11.288 -1.260 1.00 0.21 H new ATOM 1191 N LYS A 76 17.364 13.379 0.257 1.00 0.18 N ATOM 1192 CA LYS A 76 17.827 14.706 0.710 1.00 0.20 C ATOM 1193 C LYS A 76 16.974 15.209 1.870 1.00 0.20 C ATOM 1194 O LYS A 76 17.547 15.695 2.820 1.00 0.33 O ATOM 1195 CB LYS A 76 17.711 15.600 -0.536 1.00 0.19 C ATOM 1196 CG LYS A 76 19.096 16.155 -0.975 1.00 0.46 C ATOM 1197 CD LYS A 76 19.587 17.249 0.013 1.00 0.92 C ATOM 1198 CE LYS A 76 20.967 17.737 -0.444 1.00 0.60 C ATOM 1199 NZ LYS A 76 21.502 18.688 0.575 1.00 1.36 N ATOM 0 H LYS A 76 16.653 13.399 -0.474 1.00 0.18 H new ATOM 0 HA LYS A 76 18.847 14.693 1.093 1.00 0.20 H new ATOM 0 HB2 LYS A 76 17.271 15.029 -1.354 1.00 0.19 H new ATOM 0 HB3 LYS A 76 17.036 16.430 -0.327 1.00 0.19 H new ATOM 0 HG2 LYS A 76 19.822 15.343 -1.017 1.00 0.46 H new ATOM 0 HG3 LYS A 76 19.025 16.571 -1.980 1.00 0.46 H new ATOM 0 HD2 LYS A 76 18.882 18.080 0.039 1.00 0.92 H new ATOM 0 HD3 LYS A 76 19.644 16.847 1.025 1.00 0.92 H new ATOM 0 HE2 LYS A 76 21.645 16.892 -0.565 1.00 0.60 H new ATOM 0 HE3 LYS A 76 20.892 18.227 -1.415 1.00 0.60 H new ATOM 0 HZ1 LYS A 76 21.963 19.487 0.095 1.00 1.36 H new ATOM 0 HZ2 LYS A 76 20.721 19.041 1.164 1.00 1.36 H new ATOM 0 HZ3 LYS A 76 22.195 18.199 1.176 1.00 1.36 H new ATOM 1213 N VAL A 77 15.668 15.101 1.824 1.00 0.07 N ATOM 1214 CA VAL A 77 14.795 15.578 2.916 1.00 0.06 C ATOM 1215 C VAL A 77 15.378 15.353 4.295 1.00 0.16 C ATOM 1216 O VAL A 77 15.363 16.256 5.105 1.00 0.23 O ATOM 1217 CB VAL A 77 13.450 14.905 2.689 1.00 0.06 C ATOM 1218 CG1 VAL A 77 12.862 14.378 3.934 1.00 0.06 C ATOM 1219 CG2 VAL A 77 12.508 15.885 2.026 1.00 0.04 C ATOM 0 H VAL A 77 15.164 14.685 1.041 1.00 0.07 H new ATOM 0 HA VAL A 77 14.686 16.662 2.889 1.00 0.06 H new ATOM 0 HB VAL A 77 13.611 14.046 2.038 1.00 0.06 H new ATOM 0 HG11 VAL A 77 11.903 13.909 3.713 1.00 0.06 H new ATOM 0 HG12 VAL A 77 13.535 13.640 4.371 1.00 0.06 H new ATOM 0 HG13 VAL A 77 12.712 15.195 4.640 1.00 0.06 H new ATOM 0 HG21 VAL A 77 11.542 15.407 1.861 1.00 0.04 H new ATOM 0 HG22 VAL A 77 12.377 16.755 2.669 1.00 0.04 H new ATOM 0 HG23 VAL A 77 12.925 16.200 1.069 1.00 0.04 H new ATOM 1229 N GLU A 78 15.851 14.157 4.525 1.00 0.30 N ATOM 1230 CA GLU A 78 16.464 13.846 5.880 1.00 0.46 C ATOM 1231 C GLU A 78 17.316 15.066 6.384 1.00 0.41 C ATOM 1232 O GLU A 78 17.217 15.490 7.524 1.00 0.63 O ATOM 1233 CB GLU A 78 17.283 12.560 5.842 1.00 0.67 C ATOM 1234 CG GLU A 78 17.828 12.300 7.303 1.00 1.41 C ATOM 1235 CD GLU A 78 16.909 11.573 8.310 1.00 1.14 C ATOM 1236 OE1 GLU A 78 16.097 12.177 9.004 1.00 1.76 O ATOM 1237 OE2 GLU A 78 17.066 10.374 8.419 1.00 1.26 O ATOM 0 H GLU A 78 15.847 13.386 3.857 1.00 0.30 H new ATOM 0 HA GLU A 78 15.656 13.681 6.593 1.00 0.46 H new ATOM 0 HB2 GLU A 78 16.669 11.724 5.508 1.00 0.67 H new ATOM 0 HB3 GLU A 78 18.108 12.652 5.136 1.00 0.67 H new ATOM 0 HG2 GLU A 78 18.748 11.723 7.216 1.00 1.41 H new ATOM 0 HG3 GLU A 78 18.096 13.265 7.734 1.00 1.41 H new ATOM 1244 N GLU A 79 18.119 15.579 5.480 1.00 0.18 N ATOM 1245 CA GLU A 79 18.997 16.760 5.792 1.00 0.14 C ATOM 1246 C GLU A 79 18.130 17.832 6.490 1.00 0.30 C ATOM 1247 O GLU A 79 18.522 18.400 7.484 1.00 0.55 O ATOM 1248 CB GLU A 79 19.655 17.321 4.483 1.00 0.13 C ATOM 1249 CG GLU A 79 20.896 16.441 4.034 1.00 0.26 C ATOM 1250 CD GLU A 79 21.701 17.094 2.900 1.00 0.52 C ATOM 1251 OE1 GLU A 79 22.050 18.259 3.018 1.00 0.95 O ATOM 1252 OE2 GLU A 79 21.961 16.429 1.913 1.00 1.42 O ATOM 0 H GLU A 79 18.206 15.227 4.527 1.00 0.18 H new ATOM 0 HA GLU A 79 19.810 16.462 6.454 1.00 0.14 H new ATOM 0 HB2 GLU A 79 18.915 17.343 3.683 1.00 0.13 H new ATOM 0 HB3 GLU A 79 19.977 18.349 4.648 1.00 0.13 H new ATOM 0 HG2 GLU A 79 21.549 16.276 4.891 1.00 0.26 H new ATOM 0 HG3 GLU A 79 20.544 15.462 3.708 1.00 0.26 H new ATOM 1259 N LEU A 80 16.952 18.082 5.968 1.00 0.19 N ATOM 1260 CA LEU A 80 15.999 19.085 6.523 1.00 0.29 C ATOM 1261 C LEU A 80 15.406 18.568 7.795 1.00 0.33 C ATOM 1262 O LEU A 80 15.331 19.209 8.822 1.00 0.38 O ATOM 1263 CB LEU A 80 14.968 19.242 5.481 1.00 0.25 C ATOM 1264 CG LEU A 80 15.696 19.567 4.157 1.00 0.13 C ATOM 1265 CD1 LEU A 80 14.614 20.070 3.355 1.00 0.09 C ATOM 1266 CD2 LEU A 80 16.768 20.676 4.327 1.00 0.23 C ATOM 0 H LEU A 80 16.601 17.604 5.138 1.00 0.19 H new ATOM 0 HA LEU A 80 16.475 20.036 6.761 1.00 0.29 H new ATOM 0 HB2 LEU A 80 14.380 18.329 5.382 1.00 0.25 H new ATOM 0 HB3 LEU A 80 14.275 20.041 5.744 1.00 0.25 H new ATOM 0 HG LEU A 80 16.231 18.710 3.747 1.00 0.13 H new ATOM 0 HD11 LEU A 80 14.989 20.345 2.369 1.00 0.09 H new ATOM 0 HD12 LEU A 80 13.850 19.300 3.250 1.00 0.09 H new ATOM 0 HD13 LEU A 80 14.181 20.947 3.837 1.00 0.09 H new ATOM 0 HD21 LEU A 80 17.250 20.866 3.368 1.00 0.23 H new ATOM 0 HD22 LEU A 80 16.293 21.590 4.682 1.00 0.23 H new ATOM 0 HD23 LEU A 80 17.516 20.351 5.051 1.00 0.23 H new ATOM 1278 N LYS A 81 14.984 17.356 7.677 1.00 0.33 N ATOM 1279 CA LYS A 81 14.369 16.642 8.828 1.00 0.37 C ATOM 1280 C LYS A 81 15.334 16.655 10.026 1.00 0.28 C ATOM 1281 O LYS A 81 14.933 16.510 11.162 1.00 0.30 O ATOM 1282 CB LYS A 81 14.152 15.268 8.306 1.00 0.41 C ATOM 1283 CG LYS A 81 13.508 14.386 9.350 1.00 0.47 C ATOM 1284 CD LYS A 81 12.921 13.129 8.656 1.00 0.65 C ATOM 1285 CE LYS A 81 12.354 12.234 9.744 1.00 1.08 C ATOM 1286 NZ LYS A 81 13.527 11.742 10.533 1.00 2.38 N ATOM 0 H LYS A 81 15.037 16.811 6.816 1.00 0.33 H new ATOM 0 HA LYS A 81 13.444 17.093 9.186 1.00 0.37 H new ATOM 0 HB2 LYS A 81 13.520 15.308 7.419 1.00 0.41 H new ATOM 0 HB3 LYS A 81 15.105 14.837 7.999 1.00 0.41 H new ATOM 0 HG2 LYS A 81 14.242 14.093 10.101 1.00 0.47 H new ATOM 0 HG3 LYS A 81 12.720 14.931 9.870 1.00 0.47 H new ATOM 0 HD2 LYS A 81 12.143 13.410 7.946 1.00 0.65 H new ATOM 0 HD3 LYS A 81 13.693 12.606 8.092 1.00 0.65 H new ATOM 0 HE2 LYS A 81 11.661 12.785 10.380 1.00 1.08 H new ATOM 0 HE3 LYS A 81 11.798 11.401 9.313 1.00 1.08 H new ATOM 0 HZ1 LYS A 81 13.418 10.725 10.720 1.00 2.38 H new ATOM 0 HZ2 LYS A 81 14.401 11.903 9.993 1.00 2.38 H new ATOM 0 HZ3 LYS A 81 13.578 12.256 11.436 1.00 2.38 H new ATOM 1300 N LYS A 82 16.585 16.830 9.707 1.00 0.18 N ATOM 1301 CA LYS A 82 17.646 16.867 10.762 1.00 0.11 C ATOM 1302 C LYS A 82 17.990 18.310 11.095 1.00 0.19 C ATOM 1303 O LYS A 82 17.963 18.692 12.242 1.00 0.18 O ATOM 1304 CB LYS A 82 18.852 16.047 10.281 1.00 0.14 C ATOM 1305 CG LYS A 82 18.512 14.553 10.541 1.00 1.01 C ATOM 1306 CD LYS A 82 19.704 13.662 10.093 1.00 0.98 C ATOM 1307 CE LYS A 82 19.648 12.236 10.691 1.00 1.95 C ATOM 1308 NZ LYS A 82 18.269 11.675 10.562 1.00 2.82 N ATOM 0 H LYS A 82 16.925 16.950 8.753 1.00 0.18 H new ATOM 0 HA LYS A 82 17.295 16.414 11.689 1.00 0.11 H new ATOM 0 HB2 LYS A 82 19.041 16.222 9.222 1.00 0.14 H new ATOM 0 HB3 LYS A 82 19.755 16.337 10.818 1.00 0.14 H new ATOM 0 HG2 LYS A 82 18.305 14.396 11.599 1.00 1.01 H new ATOM 0 HG3 LYS A 82 17.611 14.274 9.995 1.00 1.01 H new ATOM 0 HD2 LYS A 82 19.712 13.594 9.005 1.00 0.98 H new ATOM 0 HD3 LYS A 82 20.639 14.138 10.389 1.00 0.98 H new ATOM 0 HE2 LYS A 82 20.360 11.590 10.177 1.00 1.95 H new ATOM 0 HE3 LYS A 82 19.941 12.262 11.741 1.00 1.95 H new ATOM 0 HZ1 LYS A 82 17.887 11.472 11.508 1.00 2.82 H new ATOM 0 HZ2 LYS A 82 17.657 12.365 10.082 1.00 2.82 H new ATOM 0 HZ3 LYS A 82 18.302 10.796 10.007 1.00 2.82 H new ATOM 1322 N LYS A 83 18.318 19.083 10.103 1.00 0.30 N ATOM 1323 CA LYS A 83 18.667 20.524 10.293 1.00 0.41 C ATOM 1324 C LYS A 83 17.489 21.318 10.870 1.00 0.40 C ATOM 1325 O LYS A 83 17.590 22.060 11.825 1.00 0.37 O ATOM 1326 CB LYS A 83 19.013 21.089 8.922 1.00 0.55 C ATOM 1327 CG LYS A 83 19.459 22.567 9.050 1.00 0.51 C ATOM 1328 CD LYS A 83 19.924 23.054 7.663 1.00 0.70 C ATOM 1329 CE LYS A 83 21.421 22.753 7.426 1.00 1.13 C ATOM 1330 NZ LYS A 83 21.716 23.045 5.989 1.00 1.86 N ATOM 0 H LYS A 83 18.361 18.769 9.134 1.00 0.30 H new ATOM 0 HA LYS A 83 19.499 20.605 10.993 1.00 0.41 H new ATOM 0 HB2 LYS A 83 19.809 20.499 8.468 1.00 0.55 H new ATOM 0 HB3 LYS A 83 18.148 21.018 8.262 1.00 0.55 H new ATOM 0 HG2 LYS A 83 18.635 23.182 9.412 1.00 0.51 H new ATOM 0 HG3 LYS A 83 20.268 22.658 9.775 1.00 0.51 H new ATOM 0 HD2 LYS A 83 19.328 22.571 6.889 1.00 0.70 H new ATOM 0 HD3 LYS A 83 19.750 24.127 7.576 1.00 0.70 H new ATOM 0 HE2 LYS A 83 22.043 23.366 8.078 1.00 1.13 H new ATOM 0 HE3 LYS A 83 21.644 21.712 7.659 1.00 1.13 H new ATOM 0 HZ1 LYS A 83 22.745 23.034 5.837 1.00 1.86 H new ATOM 0 HZ2 LYS A 83 21.269 22.323 5.389 1.00 1.86 H new ATOM 0 HZ3 LYS A 83 21.340 23.982 5.741 1.00 1.86 H new ATOM 1344 N TYR A 84 16.403 21.112 10.208 1.00 0.50 N ATOM 1345 CA TYR A 84 15.121 21.769 10.584 1.00 0.58 C ATOM 1346 C TYR A 84 14.350 20.933 11.618 1.00 0.64 C ATOM 1347 O TYR A 84 13.933 21.520 12.599 1.00 0.78 O ATOM 1348 CB TYR A 84 14.361 22.068 9.271 1.00 0.51 C ATOM 1349 CG TYR A 84 15.254 23.012 8.455 1.00 0.51 C ATOM 1350 CD1 TYR A 84 15.647 24.198 9.041 1.00 1.22 C ATOM 1351 CD2 TYR A 84 15.691 22.719 7.170 1.00 1.30 C ATOM 1352 CE1 TYR A 84 16.451 25.085 8.388 1.00 1.19 C ATOM 1353 CE2 TYR A 84 16.511 23.621 6.515 1.00 1.33 C ATOM 1354 CZ TYR A 84 16.891 24.806 7.116 1.00 0.54 C ATOM 1355 OH TYR A 84 17.668 25.705 6.426 1.00 0.58 O ATOM 0 H TYR A 84 16.339 20.498 9.396 1.00 0.50 H new ATOM 0 HA TYR A 84 15.279 22.717 11.098 1.00 0.58 H new ATOM 0 HB2 TYR A 84 14.163 21.149 8.720 1.00 0.51 H new ATOM 0 HB3 TYR A 84 13.396 22.530 9.478 1.00 0.51 H new ATOM 0 HD1 TYR A 84 15.310 24.429 10.041 1.00 1.22 H new ATOM 0 HD2 TYR A 84 15.395 21.799 6.688 1.00 1.30 H new ATOM 0 HE1 TYR A 84 16.742 26.007 8.870 1.00 1.19 H new ATOM 0 HE2 TYR A 84 16.860 23.395 5.518 1.00 1.33 H new ATOM 0 HH TYR A 84 18.496 25.872 6.924 1.00 0.58 H new ATOM 1365 N GLY A 85 14.166 19.656 11.390 1.00 0.61 N ATOM 1366 CA GLY A 85 13.418 18.812 12.412 1.00 0.81 C ATOM 1367 C GLY A 85 11.979 18.388 12.115 1.00 0.49 C ATOM 1368 O GLY A 85 11.144 19.210 11.804 1.00 0.45 O ATOM 0 H GLY A 85 14.489 19.156 10.561 1.00 0.61 H new ATOM 0 HA2 GLY A 85 14.000 17.906 12.579 1.00 0.81 H new ATOM 0 HA3 GLY A 85 13.411 19.364 13.352 1.00 0.81 H new ATOM 1372 N ILE A 86 11.699 17.119 12.205 1.00 1.03 N ATOM 1373 CA ILE A 86 10.319 16.641 11.938 1.00 1.75 C ATOM 1374 C ILE A 86 9.342 16.726 13.131 1.00 2.05 C ATOM 1375 O ILE A 86 9.790 17.016 14.223 1.00 1.52 O ATOM 1376 CB ILE A 86 10.538 15.190 11.445 1.00 2.26 C ATOM 1377 CG1 ILE A 86 10.102 15.180 10.016 1.00 3.54 C ATOM 1378 CG2 ILE A 86 9.817 14.074 12.261 1.00 2.09 C ATOM 1379 CD1 ILE A 86 8.604 15.529 9.844 1.00 3.38 C ATOM 1380 OXT ILE A 86 8.164 16.510 12.894 1.00 3.40 O ATOM 0 H ILE A 86 12.370 16.392 12.453 1.00 1.03 H new ATOM 0 HA ILE A 86 9.818 17.282 11.213 1.00 1.75 H new ATOM 0 HB ILE A 86 11.590 14.938 11.580 1.00 2.26 H new ATOM 0 HG12 ILE A 86 10.704 15.893 9.452 1.00 3.54 H new ATOM 0 HG13 ILE A 86 10.292 14.195 9.590 1.00 3.54 H new ATOM 0 HG21 ILE A 86 10.043 13.101 11.825 1.00 2.09 H new ATOM 0 HG22 ILE A 86 10.163 14.097 13.294 1.00 2.09 H new ATOM 0 HG23 ILE A 86 8.740 14.242 12.235 1.00 2.09 H new ATOM 0 HD11 ILE A 86 8.344 15.506 8.786 1.00 3.38 H new ATOM 0 HD12 ILE A 86 7.997 14.801 10.382 1.00 3.38 H new ATOM 0 HD13 ILE A 86 8.414 16.526 10.243 1.00 3.38 H new TER 1392 ILE A 86