USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 544 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 21 LYS NZ :NH3+ -168:sc= -0.0444 (180deg=-0.148) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 147:sc= 1.76 (180deg=0.407) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -4.15! C(o=-4.2!,f=-2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0.535 (180deg=0.264) USER MOD Single : A 25 TYR OH : rot 1:sc= -0.438 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0086 (180deg=-0.125) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -5.82! C(o=-5.8!,f=-4.9!) USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= -0.175 (180deg=-1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ -142:sc= -2.9! (180deg=-6.33!) USER MOD Single : B 5 THR OG1 : rot -94:sc= -4.04 USER MOD Single : B 9 LYS NZ :NH3+ 172:sc=-0.00194 (180deg=-0.0644) USER MOD Single : B 11 LYS NZ :NH3+ -116:sc= -1.01 (180deg=-1.12) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.902 5.021 -6.518 1.00 2.97 N ATOM 2 CA GLY A 1 11.346 5.047 -6.150 1.00 2.83 C ATOM 3 C GLY A 1 11.674 6.149 -5.158 1.00 2.42 C ATOM 4 O GLY A 1 12.634 6.892 -5.355 1.00 2.48 O ATOM 0 H1 GLY A 1 9.801 4.710 -7.505 1.00 2.97 H new ATOM 0 H2 GLY A 1 9.396 4.361 -5.893 1.00 2.97 H new ATOM 0 H3 GLY A 1 9.500 5.974 -6.412 1.00 2.97 H new ATOM 0 HA2 GLY A 1 11.626 4.084 -5.724 1.00 2.83 H new ATOM 0 HA3 GLY A 1 11.945 5.183 -7.051 1.00 2.83 H new ATOM 10 N SER A 2 10.886 6.259 -4.084 1.00 2.16 N ATOM 11 CA SER A 2 11.120 7.298 -3.078 1.00 2.05 C ATOM 12 C SER A 2 10.029 7.325 -2.004 1.00 1.75 C ATOM 13 O SER A 2 10.270 7.775 -0.884 1.00 1.62 O ATOM 14 CB SER A 2 11.210 8.664 -3.752 1.00 2.84 C ATOM 15 OG SER A 2 11.172 9.710 -2.798 1.00 3.15 O ATOM 0 H SER A 2 10.091 5.650 -3.891 1.00 2.16 H new ATOM 0 HA SER A 2 12.062 7.062 -2.583 1.00 2.05 H new ATOM 0 HB2 SER A 2 12.133 8.728 -4.329 1.00 2.84 H new ATOM 0 HB3 SER A 2 10.386 8.780 -4.456 1.00 2.84 H new ATOM 0 HG SER A 2 11.233 10.574 -3.257 1.00 3.15 H new ATOM 21 N GLN A 3 8.833 6.843 -2.338 1.00 1.94 N ATOM 22 CA GLN A 3 7.730 6.819 -1.386 1.00 1.65 C ATOM 23 C GLN A 3 7.776 5.539 -0.562 1.00 1.12 C ATOM 24 O GLN A 3 7.960 4.455 -1.101 1.00 1.83 O ATOM 25 CB GLN A 3 6.403 6.926 -2.126 1.00 2.43 C ATOM 26 CG GLN A 3 5.183 6.818 -1.229 1.00 3.29 C ATOM 27 CD GLN A 3 3.884 6.905 -2.006 1.00 4.00 C ATOM 28 OE1 GLN A 3 3.340 5.891 -2.444 1.00 4.57 O ATOM 29 NE2 GLN A 3 3.380 8.122 -2.183 1.00 4.45 N ATOM 0 H GLN A 3 8.606 6.466 -3.258 1.00 1.94 H new ATOM 0 HA GLN A 3 7.825 7.670 -0.711 1.00 1.65 H new ATOM 0 HB2 GLN A 3 6.369 7.879 -2.654 1.00 2.43 H new ATOM 0 HB3 GLN A 3 6.356 6.141 -2.881 1.00 2.43 H new ATOM 0 HG2 GLN A 3 5.216 5.873 -0.687 1.00 3.29 H new ATOM 0 HG3 GLN A 3 5.212 7.613 -0.484 1.00 3.29 H new ATOM 0 HE21 GLN A 3 3.864 8.935 -1.802 1.00 4.45 H new ATOM 0 HE22 GLN A 3 2.509 8.243 -2.699 1.00 4.45 H new ATOM 38 N VAL A 4 7.612 5.675 0.747 1.00 0.52 N ATOM 39 CA VAL A 4 7.669 4.527 1.645 1.00 1.23 C ATOM 40 C VAL A 4 6.291 3.919 1.898 1.00 1.08 C ATOM 41 O VAL A 4 5.887 3.754 3.049 1.00 1.66 O ATOM 42 CB VAL A 4 8.292 4.919 2.996 1.00 2.03 C ATOM 43 CG1 VAL A 4 8.646 3.681 3.806 1.00 3.08 C ATOM 44 CG2 VAL A 4 9.516 5.797 2.782 1.00 2.57 C ATOM 0 H VAL A 4 7.439 6.567 1.211 1.00 0.52 H new ATOM 0 HA VAL A 4 8.290 3.781 1.149 1.00 1.23 H new ATOM 0 HB VAL A 4 7.556 5.491 3.562 1.00 2.03 H new ATOM 0 HG11 VAL A 4 9.085 3.982 4.757 1.00 3.08 H new ATOM 0 HG12 VAL A 4 7.744 3.097 3.991 1.00 3.08 H new ATOM 0 HG13 VAL A 4 9.363 3.076 3.251 1.00 3.08 H new ATOM 0 HG21 VAL A 4 9.945 6.065 3.748 1.00 2.57 H new ATOM 0 HG22 VAL A 4 10.256 5.253 2.195 1.00 2.57 H new ATOM 0 HG23 VAL A 4 9.225 6.703 2.250 1.00 2.57 H new ATOM 54 N PHE A 5 5.574 3.580 0.822 1.00 0.41 N ATOM 55 CA PHE A 5 4.242 2.973 0.938 1.00 0.40 C ATOM 56 C PHE A 5 3.479 3.043 -0.387 1.00 0.40 C ATOM 57 O PHE A 5 3.829 3.819 -1.274 1.00 0.65 O ATOM 58 CB PHE A 5 3.423 3.659 2.037 1.00 0.52 C ATOM 59 CG PHE A 5 3.530 5.159 2.030 1.00 0.85 C ATOM 60 CD1 PHE A 5 3.153 5.889 0.916 1.00 1.61 C ATOM 61 CD2 PHE A 5 4.005 5.839 3.141 1.00 1.24 C ATOM 62 CE1 PHE A 5 3.246 7.270 0.910 1.00 2.16 C ATOM 63 CE2 PHE A 5 4.099 7.218 3.141 1.00 1.82 C ATOM 64 CZ PHE A 5 3.718 7.934 2.024 1.00 1.82 C ATOM 0 H PHE A 5 5.892 3.715 -0.138 1.00 0.41 H new ATOM 0 HA PHE A 5 4.387 1.925 1.201 1.00 0.40 H new ATOM 0 HB2 PHE A 5 2.376 3.379 1.925 1.00 0.52 H new ATOM 0 HB3 PHE A 5 3.751 3.286 3.007 1.00 0.52 H new ATOM 0 HD1 PHE A 5 2.782 5.375 0.042 1.00 1.61 H new ATOM 0 HD2 PHE A 5 4.305 5.284 4.018 1.00 1.24 H new ATOM 0 HE1 PHE A 5 2.949 7.828 0.034 1.00 2.16 H new ATOM 0 HE2 PHE A 5 4.470 7.735 4.014 1.00 1.82 H new ATOM 0 HZ PHE A 5 3.789 9.012 2.022 1.00 1.82 H new ATOM 74 N GLU A 6 2.434 2.220 -0.512 1.00 0.26 N ATOM 75 CA GLU A 6 1.615 2.192 -1.723 1.00 0.29 C ATOM 76 C GLU A 6 0.133 2.043 -1.378 1.00 0.27 C ATOM 77 O GLU A 6 -0.227 1.357 -0.426 1.00 0.32 O ATOM 78 CB GLU A 6 2.048 1.045 -2.636 1.00 0.35 C ATOM 79 CG GLU A 6 1.256 0.969 -3.932 1.00 1.04 C ATOM 80 CD GLU A 6 1.415 2.213 -4.783 1.00 1.84 C ATOM 81 OE1 GLU A 6 0.789 3.243 -4.453 1.00 2.36 O ATOM 82 OE2 GLU A 6 2.165 2.158 -5.781 1.00 2.41 O ATOM 0 H GLU A 6 2.137 1.565 0.211 1.00 0.26 H new ATOM 0 HA GLU A 6 1.759 3.138 -2.244 1.00 0.29 H new ATOM 0 HB2 GLU A 6 3.106 1.159 -2.872 1.00 0.35 H new ATOM 0 HB3 GLU A 6 1.941 0.103 -2.098 1.00 0.35 H new ATOM 0 HG2 GLU A 6 1.581 0.099 -4.502 1.00 1.04 H new ATOM 0 HG3 GLU A 6 0.201 0.823 -3.701 1.00 1.04 H new ATOM 89 N TYR A 7 -0.724 2.671 -2.172 1.00 0.26 N ATOM 90 CA TYR A 7 -2.158 2.617 -1.949 1.00 0.26 C ATOM 91 C TYR A 7 -2.780 1.424 -2.651 1.00 0.24 C ATOM 92 O TYR A 7 -2.613 1.232 -3.855 1.00 0.32 O ATOM 93 CB TYR A 7 -2.792 3.912 -2.444 1.00 0.31 C ATOM 94 CG TYR A 7 -2.399 4.283 -3.859 1.00 0.41 C ATOM 95 CD1 TYR A 7 -2.954 3.637 -4.957 1.00 1.25 C ATOM 96 CD2 TYR A 7 -1.464 5.284 -4.094 1.00 1.40 C ATOM 97 CE1 TYR A 7 -2.590 3.977 -6.246 1.00 1.45 C ATOM 98 CE2 TYR A 7 -1.095 5.630 -5.380 1.00 1.70 C ATOM 99 CZ TYR A 7 -1.660 4.974 -6.452 1.00 1.28 C ATOM 100 OH TYR A 7 -1.294 5.316 -7.733 1.00 1.73 O ATOM 0 H TYR A 7 -0.446 3.227 -2.981 1.00 0.26 H new ATOM 0 HA TYR A 7 -2.342 2.503 -0.881 1.00 0.26 H new ATOM 0 HB2 TYR A 7 -3.877 3.818 -2.391 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -2.509 4.724 -1.774 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -3.683 2.855 -4.800 1.00 1.25 H new ATOM 0 HD2 TYR A 7 -1.018 5.801 -3.257 1.00 1.40 H new ATOM 0 HE1 TYR A 7 -3.032 3.464 -7.088 1.00 1.45 H new ATOM 0 HE2 TYR A 7 -0.367 6.411 -5.544 1.00 1.70 H new ATOM 0 HH TYR A 7 -0.630 6.037 -7.702 1.00 1.73 H new ATOM 110 N ALA A 8 -3.479 0.608 -1.876 1.00 0.23 N ATOM 111 CA ALA A 8 -4.143 -0.564 -2.414 1.00 0.26 C ATOM 112 C ALA A 8 -5.650 -0.346 -2.457 1.00 0.28 C ATOM 113 O ALA A 8 -6.424 -1.183 -1.995 1.00 0.38 O ATOM 114 CB ALA A 8 -3.796 -1.788 -1.581 1.00 0.35 C ATOM 0 H ALA A 8 -3.600 0.738 -0.872 1.00 0.23 H new ATOM 0 HA ALA A 8 -3.796 -0.731 -3.434 1.00 0.26 H new ATOM 0 HB1 ALA A 8 -4.299 -2.663 -1.993 1.00 0.35 H new ATOM 0 HB2 ALA A 8 -2.718 -1.947 -1.600 1.00 0.35 H new ATOM 0 HB3 ALA A 8 -4.122 -1.633 -0.553 1.00 0.35 H new ATOM 120 N GLU A 9 -6.060 0.793 -3.015 1.00 0.25 N ATOM 121 CA GLU A 9 -7.474 1.131 -3.099 1.00 0.32 C ATOM 122 C GLU A 9 -8.025 0.957 -4.484 1.00 0.33 C ATOM 123 O GLU A 9 -7.312 0.620 -5.429 1.00 0.44 O ATOM 124 CB GLU A 9 -7.722 2.557 -2.612 1.00 0.41 C ATOM 125 CG GLU A 9 -7.470 3.641 -3.652 1.00 0.36 C ATOM 126 CD GLU A 9 -6.084 3.579 -4.250 1.00 2.29 C ATOM 127 OE1 GLU A 9 -5.821 2.646 -5.038 1.00 2.65 O ATOM 128 OE2 GLU A 9 -5.264 4.464 -3.935 1.00 2.80 O ATOM 0 H GLU A 9 -5.433 1.492 -3.413 1.00 0.25 H new ATOM 0 HA GLU A 9 -8.000 0.433 -2.448 1.00 0.32 H new ATOM 0 HB2 GLU A 9 -8.754 2.635 -2.270 1.00 0.41 H new ATOM 0 HB3 GLU A 9 -7.085 2.747 -1.748 1.00 0.41 H new ATOM 0 HG2 GLU A 9 -8.207 3.549 -4.449 1.00 0.36 H new ATOM 0 HG3 GLU A 9 -7.617 4.618 -3.192 1.00 0.36 H new ATOM 135 N VAL A 10 -9.319 1.194 -4.584 1.00 0.24 N ATOM 136 CA VAL A 10 -10.002 1.059 -5.831 1.00 0.27 C ATOM 137 C VAL A 10 -10.494 2.397 -6.366 1.00 0.27 C ATOM 138 O VAL A 10 -10.839 2.513 -7.541 1.00 0.35 O ATOM 139 CB VAL A 10 -11.158 0.070 -5.701 1.00 0.31 C ATOM 140 CG1 VAL A 10 -11.721 -0.283 -7.070 1.00 0.42 C ATOM 141 CG2 VAL A 10 -10.699 -1.176 -4.952 1.00 0.31 C ATOM 0 H VAL A 10 -9.911 1.482 -3.805 1.00 0.24 H new ATOM 0 HA VAL A 10 -9.285 0.671 -6.554 1.00 0.27 H new ATOM 0 HB VAL A 10 -11.958 0.537 -5.127 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -12.544 -0.989 -6.954 1.00 0.42 H new ATOM 0 HG12 VAL A 10 -12.085 0.621 -7.558 1.00 0.42 H new ATOM 0 HG13 VAL A 10 -10.939 -0.735 -7.680 1.00 0.42 H new ATOM 0 HG21 VAL A 10 -11.531 -1.875 -4.865 1.00 0.31 H new ATOM 0 HG22 VAL A 10 -9.883 -1.649 -5.499 1.00 0.31 H new ATOM 0 HG23 VAL A 10 -10.354 -0.896 -3.957 1.00 0.31 H new ATOM 151 N ASP A 11 -10.500 3.413 -5.507 1.00 0.23 N ATOM 152 CA ASP A 11 -10.943 4.742 -5.903 1.00 0.26 C ATOM 153 C ASP A 11 -10.226 5.822 -5.103 1.00 0.24 C ATOM 154 O ASP A 11 -9.779 6.828 -5.656 1.00 0.28 O ATOM 155 CB ASP A 11 -12.453 4.880 -5.700 1.00 0.31 C ATOM 156 CG ASP A 11 -13.009 6.139 -6.333 1.00 1.76 C ATOM 157 OD1 ASP A 11 -13.369 6.094 -7.528 1.00 2.09 O ATOM 158 OD2 ASP A 11 -13.086 7.171 -5.633 1.00 2.19 O ATOM 0 H ASP A 11 -10.203 3.339 -4.534 1.00 0.23 H new ATOM 0 HA ASP A 11 -10.702 4.871 -6.958 1.00 0.26 H new ATOM 0 HB2 ASP A 11 -12.955 4.011 -6.125 1.00 0.31 H new ATOM 0 HB3 ASP A 11 -12.674 4.885 -4.633 1.00 0.31 H new ATOM 163 N GLU A 12 -10.123 5.608 -3.796 1.00 0.21 N ATOM 164 CA GLU A 12 -9.485 6.579 -2.907 1.00 0.23 C ATOM 165 C GLU A 12 -8.902 5.904 -1.671 1.00 0.23 C ATOM 166 O GLU A 12 -9.086 4.713 -1.469 1.00 0.29 O ATOM 167 CB GLU A 12 -10.497 7.641 -2.484 1.00 0.26 C ATOM 168 CG GLU A 12 -10.989 8.504 -3.633 1.00 0.31 C ATOM 169 CD GLU A 12 -12.050 9.495 -3.200 1.00 1.19 C ATOM 170 OE1 GLU A 12 -11.683 10.578 -2.699 1.00 1.09 O ATOM 171 OE2 GLU A 12 -13.250 9.188 -3.360 1.00 2.18 O ATOM 0 H GLU A 12 -10.472 4.772 -3.326 1.00 0.21 H new ATOM 0 HA GLU A 12 -8.668 7.048 -3.455 1.00 0.23 H new ATOM 0 HB2 GLU A 12 -11.351 7.151 -2.017 1.00 0.26 H new ATOM 0 HB3 GLU A 12 -10.044 8.282 -1.727 1.00 0.26 H new ATOM 0 HG2 GLU A 12 -10.146 9.044 -4.065 1.00 0.31 H new ATOM 0 HG3 GLU A 12 -11.393 7.864 -4.417 1.00 0.31 H new ATOM 178 N ILE A 13 -8.187 6.671 -0.853 1.00 0.22 N ATOM 179 CA ILE A 13 -7.590 6.149 0.378 1.00 0.22 C ATOM 180 C ILE A 13 -7.663 7.218 1.470 1.00 0.27 C ATOM 181 O ILE A 13 -8.296 8.256 1.285 1.00 0.34 O ATOM 182 CB ILE A 13 -6.104 5.749 0.179 1.00 0.20 C ATOM 183 CG1 ILE A 13 -5.281 6.989 -0.188 1.00 0.28 C ATOM 184 CG2 ILE A 13 -5.973 4.693 -0.902 1.00 0.20 C ATOM 185 CD1 ILE A 13 -5.611 7.534 -1.560 1.00 0.34 C ATOM 0 H ILE A 13 -8.005 7.661 -1.019 1.00 0.22 H new ATOM 0 HA ILE A 13 -8.151 5.259 0.663 1.00 0.22 H new ATOM 0 HB ILE A 13 -5.726 5.330 1.111 1.00 0.20 H new ATOM 0 HG12 ILE A 13 -5.454 7.766 0.557 1.00 0.28 H new ATOM 0 HG13 ILE A 13 -4.221 6.739 -0.148 1.00 0.28 H new ATOM 0 HG21 ILE A 13 -4.923 4.427 -1.025 1.00 0.20 H new ATOM 0 HG22 ILE A 13 -6.541 3.807 -0.616 1.00 0.20 H new ATOM 0 HG23 ILE A 13 -6.361 5.085 -1.842 1.00 0.20 H new ATOM 0 HD11 ILE A 13 -4.996 8.411 -1.761 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -5.412 6.771 -2.312 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -6.664 7.814 -1.597 1.00 0.34 H new ATOM 197 N VAL A 14 -7.015 6.967 2.604 1.00 0.25 N ATOM 198 CA VAL A 14 -7.002 7.928 3.704 1.00 0.30 C ATOM 199 C VAL A 14 -5.713 7.804 4.514 1.00 0.27 C ATOM 200 O VAL A 14 -5.053 8.801 4.807 1.00 0.30 O ATOM 201 CB VAL A 14 -8.231 7.760 4.630 1.00 0.35 C ATOM 202 CG1 VAL A 14 -8.102 8.617 5.886 1.00 0.61 C ATOM 203 CG2 VAL A 14 -9.507 8.116 3.884 1.00 0.67 C ATOM 0 H VAL A 14 -6.493 6.109 2.786 1.00 0.25 H new ATOM 0 HA VAL A 14 -7.050 8.924 3.263 1.00 0.30 H new ATOM 0 HB VAL A 14 -8.276 6.715 4.937 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -8.981 8.476 6.515 1.00 0.61 H new ATOM 0 HG12 VAL A 14 -7.210 8.321 6.438 1.00 0.61 H new ATOM 0 HG13 VAL A 14 -8.023 9.667 5.604 1.00 0.61 H new ATOM 0 HG21 VAL A 14 -10.363 7.993 4.548 1.00 0.67 H new ATOM 0 HG22 VAL A 14 -9.455 9.151 3.547 1.00 0.67 H new ATOM 0 HG23 VAL A 14 -9.620 7.459 3.021 1.00 0.67 H new ATOM 213 N GLU A 15 -5.366 6.578 4.873 1.00 0.28 N ATOM 214 CA GLU A 15 -4.155 6.321 5.642 1.00 0.27 C ATOM 215 C GLU A 15 -2.993 5.996 4.712 1.00 0.26 C ATOM 216 O GLU A 15 -3.187 5.418 3.647 1.00 0.48 O ATOM 217 CB GLU A 15 -4.381 5.164 6.618 1.00 0.32 C ATOM 218 CG GLU A 15 -5.512 5.411 7.602 1.00 1.30 C ATOM 219 CD GLU A 15 -5.282 6.644 8.455 1.00 1.98 C ATOM 220 OE1 GLU A 15 -4.635 6.519 9.517 1.00 2.07 O ATOM 221 OE2 GLU A 15 -5.748 7.734 8.062 1.00 2.96 O ATOM 0 H GLU A 15 -5.906 5.743 4.645 1.00 0.28 H new ATOM 0 HA GLU A 15 -3.910 7.219 6.209 1.00 0.27 H new ATOM 0 HB2 GLU A 15 -4.595 4.258 6.051 1.00 0.32 H new ATOM 0 HB3 GLU A 15 -3.461 4.983 7.173 1.00 0.32 H new ATOM 0 HG2 GLU A 15 -6.448 5.522 7.054 1.00 1.30 H new ATOM 0 HG3 GLU A 15 -5.622 4.541 8.249 1.00 1.30 H new ATOM 228 N LYS A 16 -1.792 6.411 5.088 1.00 0.20 N ATOM 229 CA LYS A 16 -0.618 6.130 4.271 1.00 0.23 C ATOM 230 C LYS A 16 0.656 6.071 5.119 1.00 0.25 C ATOM 231 O LYS A 16 1.357 7.073 5.259 1.00 0.35 O ATOM 232 CB LYS A 16 -0.475 7.185 3.171 1.00 0.32 C ATOM 233 CG LYS A 16 -0.498 8.615 3.688 1.00 0.41 C ATOM 234 CD LYS A 16 -0.414 9.618 2.548 1.00 0.50 C ATOM 235 CE LYS A 16 0.900 9.497 1.793 1.00 1.43 C ATOM 236 NZ LYS A 16 0.976 10.453 0.654 1.00 2.13 N ATOM 0 H LYS A 16 -1.604 6.937 5.942 1.00 0.20 H new ATOM 0 HA LYS A 16 -0.757 5.151 3.812 1.00 0.23 H new ATOM 0 HB2 LYS A 16 0.460 7.016 2.637 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -1.282 7.056 2.449 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -1.413 8.783 4.256 1.00 0.41 H new ATOM 0 HG3 LYS A 16 0.336 8.769 4.373 1.00 0.41 H new ATOM 0 HD2 LYS A 16 -1.245 9.459 1.861 1.00 0.50 H new ATOM 0 HD3 LYS A 16 -0.516 10.629 2.943 1.00 0.50 H new ATOM 0 HE2 LYS A 16 1.729 9.680 2.476 1.00 1.43 H new ATOM 0 HE3 LYS A 16 1.012 8.479 1.420 1.00 1.43 H new ATOM 0 HZ1 LYS A 16 1.887 10.339 0.165 1.00 2.13 H new ATOM 0 HZ2 LYS A 16 0.200 10.263 -0.011 1.00 2.13 H new ATOM 0 HZ3 LYS A 16 0.895 11.426 1.012 1.00 2.13 H new ATOM 250 N ARG A 17 0.957 4.903 5.682 1.00 0.22 N ATOM 251 CA ARG A 17 2.149 4.752 6.520 1.00 0.31 C ATOM 252 C ARG A 17 2.654 3.314 6.516 1.00 0.30 C ATOM 253 O ARG A 17 2.217 2.502 7.331 1.00 0.33 O ATOM 254 CB ARG A 17 1.848 5.194 7.953 1.00 0.41 C ATOM 255 CG ARG A 17 1.558 6.680 8.083 1.00 1.20 C ATOM 256 CD ARG A 17 2.763 7.517 7.689 1.00 1.68 C ATOM 257 NE ARG A 17 2.507 8.948 7.826 1.00 2.30 N ATOM 258 CZ ARG A 17 3.396 9.888 7.519 1.00 3.07 C ATOM 259 NH1 ARG A 17 4.592 9.546 7.056 1.00 3.46 N ATOM 260 NH2 ARG A 17 3.089 11.168 7.672 1.00 3.83 N ATOM 0 H ARG A 17 0.400 4.055 5.576 1.00 0.22 H new ATOM 0 HA ARG A 17 2.931 5.387 6.103 1.00 0.31 H new ATOM 0 HB2 ARG A 17 0.992 4.631 8.326 1.00 0.41 H new ATOM 0 HB3 ARG A 17 2.697 4.941 8.588 1.00 0.41 H new ATOM 0 HG2 ARG A 17 0.709 6.943 7.452 1.00 1.20 H new ATOM 0 HG3 ARG A 17 1.275 6.908 9.111 1.00 1.20 H new ATOM 0 HD2 ARG A 17 3.615 7.241 8.311 1.00 1.68 H new ATOM 0 HD3 ARG A 17 3.036 7.295 6.657 1.00 1.68 H new ATOM 0 HE ARG A 17 1.596 9.243 8.177 1.00 2.30 H new ATOM 0 HH11 ARG A 17 4.830 8.561 6.935 1.00 3.46 H new ATOM 0 HH12 ARG A 17 5.273 10.268 6.821 1.00 3.46 H new ATOM 0 HH21 ARG A 17 2.170 11.433 8.026 1.00 3.83 H new ATOM 0 HH22 ARG A 17 3.772 11.888 7.436 1.00 3.83 H new ATOM 274 N GLY A 18 3.570 2.990 5.608 1.00 0.29 N ATOM 275 CA GLY A 18 4.075 1.636 5.553 1.00 0.28 C ATOM 276 C GLY A 18 5.491 1.504 5.033 1.00 0.32 C ATOM 277 O GLY A 18 6.407 2.203 5.470 1.00 0.41 O ATOM 0 H GLY A 18 3.965 3.632 4.921 1.00 0.29 H new ATOM 0 HA2 GLY A 18 4.029 1.206 6.553 1.00 0.28 H new ATOM 0 HA3 GLY A 18 3.414 1.043 4.921 1.00 0.28 H new ATOM 281 N LYS A 19 5.645 0.588 4.084 1.00 0.30 N ATOM 282 CA LYS A 19 6.927 0.275 3.469 1.00 0.36 C ATOM 283 C LYS A 19 6.906 0.609 1.988 1.00 0.45 C ATOM 284 O LYS A 19 7.507 1.578 1.524 1.00 0.76 O ATOM 285 CB LYS A 19 7.188 -1.216 3.673 1.00 0.29 C ATOM 286 CG LYS A 19 7.743 -1.548 5.047 1.00 0.37 C ATOM 287 CD LYS A 19 7.871 -3.046 5.251 1.00 0.33 C ATOM 288 CE LYS A 19 8.025 -3.393 6.723 1.00 0.51 C ATOM 289 NZ LYS A 19 9.315 -2.902 7.279 1.00 1.13 N ATOM 0 H LYS A 19 4.871 0.035 3.716 1.00 0.30 H new ATOM 0 HA LYS A 19 7.719 0.867 3.928 1.00 0.36 H new ATOM 0 HB2 LYS A 19 6.258 -1.764 3.523 1.00 0.29 H new ATOM 0 HB3 LYS A 19 7.888 -1.562 2.913 1.00 0.29 H new ATOM 0 HG2 LYS A 19 8.719 -1.079 5.169 1.00 0.37 H new ATOM 0 HG3 LYS A 19 7.091 -1.130 5.814 1.00 0.37 H new ATOM 0 HD2 LYS A 19 6.991 -3.546 4.848 1.00 0.33 H new ATOM 0 HD3 LYS A 19 8.732 -3.418 4.696 1.00 0.33 H new ATOM 0 HE2 LYS A 19 7.199 -2.959 7.286 1.00 0.51 H new ATOM 0 HE3 LYS A 19 7.964 -4.474 6.849 1.00 0.51 H new ATOM 0 HZ1 LYS A 19 9.549 -3.438 8.139 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 10.069 -3.032 6.574 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 9.230 -1.892 7.513 1.00 1.13 H new ATOM 303 N GLY A 20 6.214 -0.239 1.274 1.00 0.47 N ATOM 304 CA GLY A 20 6.023 -0.122 -0.143 1.00 0.51 C ATOM 305 C GLY A 20 4.708 -0.761 -0.462 1.00 0.42 C ATOM 306 O GLY A 20 3.870 -0.219 -1.178 1.00 0.48 O ATOM 0 H GLY A 20 5.754 -1.055 1.678 1.00 0.47 H new ATOM 0 HA2 GLY A 20 6.027 0.925 -0.447 1.00 0.51 H new ATOM 0 HA3 GLY A 20 6.832 -0.614 -0.683 1.00 0.51 H new ATOM 310 N LYS A 21 4.557 -1.943 0.110 1.00 0.33 N ATOM 311 CA LYS A 21 3.349 -2.728 0.010 1.00 0.33 C ATOM 312 C LYS A 21 2.840 -3.081 1.422 1.00 0.27 C ATOM 313 O LYS A 21 1.712 -3.537 1.578 1.00 0.32 O ATOM 314 CB LYS A 21 3.620 -4.004 -0.790 1.00 0.46 C ATOM 315 CG LYS A 21 4.585 -3.804 -1.950 1.00 0.88 C ATOM 316 CD LYS A 21 4.028 -2.843 -2.989 1.00 1.58 C ATOM 317 CE LYS A 21 5.083 -2.453 -4.012 1.00 2.52 C ATOM 318 NZ LYS A 21 4.512 -1.630 -5.115 1.00 3.41 N ATOM 0 H LYS A 21 5.287 -2.388 0.666 1.00 0.33 H new ATOM 0 HA LYS A 21 2.585 -2.147 -0.507 1.00 0.33 H new ATOM 0 HB2 LYS A 21 4.023 -4.764 -0.120 1.00 0.46 H new ATOM 0 HB3 LYS A 21 2.676 -4.388 -1.176 1.00 0.46 H new ATOM 0 HG2 LYS A 21 5.533 -3.421 -1.572 1.00 0.88 H new ATOM 0 HG3 LYS A 21 4.794 -4.766 -2.419 1.00 0.88 H new ATOM 0 HD2 LYS A 21 3.181 -3.305 -3.497 1.00 1.58 H new ATOM 0 HD3 LYS A 21 3.652 -1.948 -2.493 1.00 1.58 H new ATOM 0 HE2 LYS A 21 5.879 -1.895 -3.518 1.00 2.52 H new ATOM 0 HE3 LYS A 21 5.535 -3.353 -4.428 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 5.205 -1.556 -5.887 1.00 3.41 H new ATOM 0 HZ2 LYS A 21 3.644 -2.080 -5.470 1.00 3.41 H new ATOM 0 HZ3 LYS A 21 4.288 -0.679 -4.759 1.00 3.41 H new ATOM 332 N ASP A 22 3.669 -2.818 2.457 1.00 0.21 N ATOM 333 CA ASP A 22 3.317 -3.123 3.840 1.00 0.23 C ATOM 334 C ASP A 22 2.547 -1.996 4.485 1.00 0.21 C ATOM 335 O ASP A 22 2.342 -1.978 5.698 1.00 0.26 O ATOM 336 CB ASP A 22 4.572 -3.375 4.675 1.00 0.26 C ATOM 337 CG ASP A 22 4.270 -4.052 6.001 1.00 0.34 C ATOM 338 OD1 ASP A 22 3.892 -3.342 6.956 1.00 0.94 O ATOM 339 OD2 ASP A 22 4.414 -5.288 6.086 1.00 1.22 O ATOM 0 H ASP A 22 4.589 -2.392 2.347 1.00 0.21 H new ATOM 0 HA ASP A 22 2.693 -4.016 3.811 1.00 0.23 H new ATOM 0 HB2 ASP A 22 5.264 -3.995 4.105 1.00 0.26 H new ATOM 0 HB3 ASP A 22 5.075 -2.426 4.863 1.00 0.26 H new ATOM 344 N VAL A 23 2.125 -1.061 3.679 1.00 0.17 N ATOM 345 CA VAL A 23 1.370 0.059 4.172 1.00 0.18 C ATOM 346 C VAL A 23 -0.107 -0.269 4.227 1.00 0.16 C ATOM 347 O VAL A 23 -0.612 -1.071 3.441 1.00 0.18 O ATOM 348 CB VAL A 23 1.595 1.290 3.293 1.00 0.20 C ATOM 349 CG1 VAL A 23 0.830 1.180 1.983 1.00 0.34 C ATOM 350 CG2 VAL A 23 1.199 2.543 4.029 1.00 0.23 C ATOM 0 H VAL A 23 2.292 -1.052 2.673 1.00 0.17 H new ATOM 0 HA VAL A 23 1.718 0.277 5.182 1.00 0.18 H new ATOM 0 HB VAL A 23 2.658 1.343 3.058 1.00 0.20 H new ATOM 0 HG11 VAL A 23 1.010 2.070 1.380 1.00 0.34 H new ATOM 0 HG12 VAL A 23 1.167 0.298 1.438 1.00 0.34 H new ATOM 0 HG13 VAL A 23 -0.236 1.093 2.191 1.00 0.34 H new ATOM 0 HG21 VAL A 23 1.366 3.409 3.389 1.00 0.23 H new ATOM 0 HG22 VAL A 23 0.144 2.489 4.299 1.00 0.23 H new ATOM 0 HG23 VAL A 23 1.800 2.639 4.933 1.00 0.23 H new ATOM 360 N GLU A 24 -0.794 0.369 5.141 1.00 0.18 N ATOM 361 CA GLU A 24 -2.210 0.138 5.305 1.00 0.22 C ATOM 362 C GLU A 24 -3.009 1.374 4.894 1.00 0.24 C ATOM 363 O GLU A 24 -3.273 2.260 5.707 1.00 0.48 O ATOM 364 CB GLU A 24 -2.533 -0.244 6.748 1.00 0.34 C ATOM 365 CG GLU A 24 -1.610 0.380 7.785 1.00 0.45 C ATOM 366 CD GLU A 24 -1.643 1.895 7.773 1.00 0.86 C ATOM 367 OE1 GLU A 24 -2.542 2.474 8.419 1.00 1.22 O ATOM 368 OE2 GLU A 24 -0.772 2.503 7.116 1.00 1.26 O ATOM 0 H GLU A 24 -0.397 1.054 5.784 1.00 0.18 H new ATOM 0 HA GLU A 24 -2.494 -0.691 4.657 1.00 0.22 H new ATOM 0 HB2 GLU A 24 -3.559 0.051 6.968 1.00 0.34 H new ATOM 0 HB3 GLU A 24 -2.486 -1.329 6.843 1.00 0.34 H new ATOM 0 HG2 GLU A 24 -1.893 0.024 8.776 1.00 0.45 H new ATOM 0 HG3 GLU A 24 -0.589 0.043 7.604 1.00 0.45 H new ATOM 375 N TYR A 25 -3.397 1.420 3.631 1.00 0.18 N ATOM 376 CA TYR A 25 -4.155 2.529 3.095 1.00 0.22 C ATOM 377 C TYR A 25 -5.650 2.284 3.294 1.00 0.30 C ATOM 378 O TYR A 25 -6.039 1.432 4.083 1.00 0.65 O ATOM 379 CB TYR A 25 -3.824 2.679 1.609 1.00 0.23 C ATOM 380 CG TYR A 25 -2.678 3.627 1.345 1.00 0.21 C ATOM 381 CD1 TYR A 25 -1.412 3.392 1.862 1.00 0.34 C ATOM 382 CD2 TYR A 25 -2.869 4.761 0.582 1.00 0.27 C ATOM 383 CE1 TYR A 25 -0.371 4.268 1.617 1.00 0.38 C ATOM 384 CE2 TYR A 25 -1.838 5.643 0.333 1.00 0.25 C ATOM 385 CZ TYR A 25 -0.592 5.393 0.850 1.00 0.25 C ATOM 386 OH TYR A 25 0.437 6.268 0.599 1.00 0.30 O ATOM 0 H TYR A 25 -3.194 0.688 2.951 1.00 0.18 H new ATOM 0 HA TYR A 25 -3.891 3.449 3.617 1.00 0.22 H new ATOM 0 HB2 TYR A 25 -3.578 1.700 1.198 1.00 0.23 H new ATOM 0 HB3 TYR A 25 -4.709 3.034 1.081 1.00 0.23 H new ATOM 0 HD1 TYR A 25 -1.237 2.513 2.464 1.00 0.34 H new ATOM 0 HD2 TYR A 25 -3.847 4.962 0.171 1.00 0.27 H new ATOM 0 HE1 TYR A 25 0.610 4.073 2.024 1.00 0.38 H new ATOM 0 HE2 TYR A 25 -2.011 6.525 -0.265 1.00 0.25 H new ATOM 0 HH TYR A 25 1.258 5.937 1.020 1.00 0.30 H new ATOM 396 N LEU A 26 -6.478 3.063 2.617 1.00 0.19 N ATOM 397 CA LEU A 26 -7.924 2.899 2.687 1.00 0.19 C ATOM 398 C LEU A 26 -8.471 2.797 1.276 1.00 0.17 C ATOM 399 O LEU A 26 -7.801 3.187 0.323 1.00 0.17 O ATOM 400 CB LEU A 26 -8.576 4.070 3.437 1.00 0.20 C ATOM 401 CG LEU A 26 -10.107 4.006 3.544 1.00 0.29 C ATOM 402 CD1 LEU A 26 -10.541 3.056 4.645 1.00 0.88 C ATOM 403 CD2 LEU A 26 -10.688 5.390 3.779 1.00 0.96 C ATOM 0 H LEU A 26 -6.172 3.821 2.008 1.00 0.19 H new ATOM 0 HA LEU A 26 -8.158 1.989 3.239 1.00 0.19 H new ATOM 0 HB2 LEU A 26 -8.159 4.114 4.443 1.00 0.20 H new ATOM 0 HB3 LEU A 26 -8.301 4.999 2.937 1.00 0.20 H new ATOM 0 HG LEU A 26 -10.490 3.625 2.598 1.00 0.29 H new ATOM 0 HD11 LEU A 26 -11.630 3.032 4.697 1.00 0.88 H new ATOM 0 HD12 LEU A 26 -10.166 2.055 4.431 1.00 0.88 H new ATOM 0 HD13 LEU A 26 -10.140 3.398 5.599 1.00 0.88 H new ATOM 0 HD21 LEU A 26 -11.773 5.321 3.852 1.00 0.96 H new ATOM 0 HD22 LEU A 26 -10.287 5.800 4.706 1.00 0.96 H new ATOM 0 HD23 LEU A 26 -10.421 6.043 2.948 1.00 0.96 H new ATOM 415 N VAL A 27 -9.663 2.248 1.122 1.00 0.18 N ATOM 416 CA VAL A 27 -10.223 2.121 -0.202 1.00 0.18 C ATOM 417 C VAL A 27 -11.714 2.388 -0.261 1.00 0.18 C ATOM 418 O VAL A 27 -12.520 1.672 0.333 1.00 0.22 O ATOM 419 CB VAL A 27 -9.890 0.750 -0.855 1.00 0.24 C ATOM 420 CG1 VAL A 27 -8.667 0.115 -0.208 1.00 0.40 C ATOM 421 CG2 VAL A 27 -11.058 -0.239 -0.840 1.00 0.36 C ATOM 0 H VAL A 27 -10.246 1.892 1.880 1.00 0.18 H new ATOM 0 HA VAL A 27 -9.739 2.905 -0.784 1.00 0.18 H new ATOM 0 HB VAL A 27 -9.677 0.972 -1.901 1.00 0.24 H new ATOM 0 HG11 VAL A 27 -8.459 -0.842 -0.685 1.00 0.40 H new ATOM 0 HG12 VAL A 27 -7.808 0.775 -0.328 1.00 0.40 H new ATOM 0 HG13 VAL A 27 -8.858 -0.043 0.854 1.00 0.40 H new ATOM 0 HG21 VAL A 27 -10.751 -1.172 -1.312 1.00 0.36 H new ATOM 0 HG22 VAL A 27 -11.356 -0.435 0.190 1.00 0.36 H new ATOM 0 HG23 VAL A 27 -11.900 0.184 -1.387 1.00 0.36 H new ATOM 431 N ARG A 28 -12.062 3.431 -0.986 1.00 0.16 N ATOM 432 CA ARG A 28 -13.442 3.747 -1.228 1.00 0.18 C ATOM 433 C ARG A 28 -13.787 2.985 -2.463 1.00 0.16 C ATOM 434 O ARG A 28 -14.052 3.563 -3.519 1.00 0.20 O ATOM 435 CB ARG A 28 -13.664 5.237 -1.445 1.00 0.21 C ATOM 436 CG ARG A 28 -12.957 6.118 -0.430 1.00 1.14 C ATOM 437 CD ARG A 28 -13.344 7.578 -0.601 1.00 1.22 C ATOM 438 NE ARG A 28 -12.657 8.444 0.351 1.00 1.99 N ATOM 439 CZ ARG A 28 -12.933 9.736 0.501 1.00 2.29 C ATOM 440 NH1 ARG A 28 -13.879 10.302 -0.237 1.00 2.04 N ATOM 441 NH2 ARG A 28 -12.266 10.462 1.387 1.00 3.27 N ATOM 0 H ARG A 28 -11.398 4.074 -1.418 1.00 0.16 H new ATOM 0 HA ARG A 28 -14.064 3.483 -0.373 1.00 0.18 H new ATOM 0 HB2 ARG A 28 -13.321 5.504 -2.445 1.00 0.21 H new ATOM 0 HB3 ARG A 28 -14.734 5.444 -1.409 1.00 0.21 H new ATOM 0 HG2 ARG A 28 -13.208 5.789 0.578 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -11.878 6.010 -0.541 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -13.109 7.898 -1.616 1.00 1.22 H new ATOM 0 HD3 ARG A 28 -14.421 7.684 -0.474 1.00 1.22 H new ATOM 0 HE ARG A 28 -11.925 8.036 0.933 1.00 1.99 H new ATOM 0 HH11 ARG A 28 -14.394 9.746 -0.919 1.00 2.04 H new ATOM 0 HH12 ARG A 28 -14.091 11.293 -0.122 1.00 2.04 H new ATOM 0 HH21 ARG A 28 -11.538 10.030 1.956 1.00 3.27 H new ATOM 0 HH22 ARG A 28 -12.480 11.453 1.499 1.00 3.27 H new ATOM 455 N TRP A 29 -13.750 1.662 -2.300 1.00 0.19 N ATOM 456 CA TRP A 29 -13.987 0.709 -3.364 1.00 0.25 C ATOM 457 C TRP A 29 -14.853 1.288 -4.459 1.00 0.25 C ATOM 458 O TRP A 29 -16.075 1.273 -4.378 1.00 0.30 O ATOM 459 CB TRP A 29 -14.642 -0.529 -2.793 1.00 0.34 C ATOM 460 CG TRP A 29 -14.955 -1.557 -3.835 1.00 0.44 C ATOM 461 CD1 TRP A 29 -14.216 -1.828 -4.952 1.00 0.61 C ATOM 462 CD2 TRP A 29 -16.074 -2.451 -3.866 1.00 0.67 C ATOM 463 NE1 TRP A 29 -14.807 -2.834 -5.676 1.00 0.93 N ATOM 464 CE2 TRP A 29 -15.949 -3.233 -5.031 1.00 0.98 C ATOM 465 CE3 TRP A 29 -17.169 -2.666 -3.024 1.00 0.71 C ATOM 466 CZ2 TRP A 29 -16.878 -4.213 -5.373 1.00 1.30 C ATOM 467 CZ3 TRP A 29 -18.089 -3.640 -3.365 1.00 1.02 C ATOM 468 CH2 TRP A 29 -17.938 -4.402 -4.531 1.00 1.31 C ATOM 0 H TRP A 29 -13.549 1.222 -1.402 1.00 0.19 H new ATOM 0 HA TRP A 29 -13.024 0.454 -3.807 1.00 0.25 H new ATOM 0 HB2 TRP A 29 -13.985 -0.968 -2.043 1.00 0.34 H new ATOM 0 HB3 TRP A 29 -15.562 -0.244 -2.283 1.00 0.34 H new ATOM 0 HD1 TRP A 29 -13.301 -1.324 -5.225 1.00 0.61 H new ATOM 0 HE1 TRP A 29 -14.454 -3.221 -6.551 1.00 0.93 H new ATOM 0 HE3 TRP A 29 -17.294 -2.082 -2.124 1.00 0.71 H new ATOM 0 HZ2 TRP A 29 -16.765 -4.802 -6.271 1.00 1.30 H new ATOM 0 HZ3 TRP A 29 -18.938 -3.816 -2.722 1.00 1.02 H new ATOM 0 HH2 TRP A 29 -18.675 -5.155 -4.770 1.00 1.31 H new ATOM 479 N LYS A 30 -14.169 1.859 -5.446 1.00 0.25 N ATOM 480 CA LYS A 30 -14.824 2.477 -6.617 1.00 0.30 C ATOM 481 C LYS A 30 -16.176 1.835 -6.949 1.00 0.36 C ATOM 482 O LYS A 30 -17.107 2.520 -7.372 1.00 0.42 O ATOM 483 CB LYS A 30 -13.921 2.383 -7.848 1.00 0.35 C ATOM 484 CG LYS A 30 -14.481 3.102 -9.064 1.00 0.69 C ATOM 485 CD LYS A 30 -13.515 3.051 -10.236 1.00 1.11 C ATOM 486 CE LYS A 30 -14.030 3.861 -11.415 1.00 1.70 C ATOM 487 NZ LYS A 30 -15.338 3.351 -11.912 1.00 2.46 N ATOM 0 H LYS A 30 -13.151 1.912 -5.466 1.00 0.25 H new ATOM 0 HA LYS A 30 -15.000 3.519 -6.352 1.00 0.30 H new ATOM 0 HB2 LYS A 30 -12.944 2.802 -7.606 1.00 0.35 H new ATOM 0 HB3 LYS A 30 -13.765 1.333 -8.096 1.00 0.35 H new ATOM 0 HG2 LYS A 30 -15.429 2.647 -9.352 1.00 0.69 H new ATOM 0 HG3 LYS A 30 -14.691 4.141 -8.809 1.00 0.69 H new ATOM 0 HD2 LYS A 30 -12.543 3.435 -9.926 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -13.366 2.015 -10.542 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -14.136 4.905 -11.119 1.00 1.70 H new ATOM 0 HE3 LYS A 30 -13.299 3.831 -12.223 1.00 1.70 H new ATOM 0 HZ1 LYS A 30 -15.572 3.816 -12.812 1.00 2.46 H new ATOM 0 HZ2 LYS A 30 -15.277 2.323 -12.058 1.00 2.46 H new ATOM 0 HZ3 LYS A 30 -16.080 3.558 -11.213 1.00 2.46 H new ATOM 501 N ASP A 31 -16.274 0.522 -6.762 1.00 0.39 N ATOM 502 CA ASP A 31 -17.516 -0.199 -7.031 1.00 0.48 C ATOM 503 C ASP A 31 -18.176 -0.641 -5.726 1.00 0.45 C ATOM 504 O ASP A 31 -18.558 -1.802 -5.574 1.00 0.52 O ATOM 505 CB ASP A 31 -17.242 -1.416 -7.916 1.00 0.59 C ATOM 506 CG ASP A 31 -16.639 -1.034 -9.254 1.00 1.31 C ATOM 507 OD1 ASP A 31 -17.412 -0.755 -10.195 1.00 2.02 O ATOM 508 OD2 ASP A 31 -15.395 -1.014 -9.360 1.00 1.92 O ATOM 0 H ASP A 31 -15.510 -0.064 -6.426 1.00 0.39 H new ATOM 0 HA ASP A 31 -18.195 0.474 -7.554 1.00 0.48 H new ATOM 0 HB2 ASP A 31 -16.566 -2.095 -7.396 1.00 0.59 H new ATOM 0 HB3 ASP A 31 -18.173 -1.958 -8.082 1.00 0.59 H new ATOM 513 N GLY A 32 -18.309 0.294 -4.791 1.00 0.39 N ATOM 514 CA GLY A 32 -18.909 -0.010 -3.505 1.00 0.40 C ATOM 515 C GLY A 32 -19.613 1.186 -2.895 1.00 0.42 C ATOM 516 O GLY A 32 -19.925 2.153 -3.589 1.00 0.59 O ATOM 0 H GLY A 32 -18.010 1.263 -4.902 1.00 0.39 H new ATOM 0 HA2 GLY A 32 -19.622 -0.825 -3.624 1.00 0.40 H new ATOM 0 HA3 GLY A 32 -18.136 -0.360 -2.821 1.00 0.40 H new ATOM 520 N GLY A 33 -19.865 1.116 -1.591 1.00 0.43 N ATOM 521 CA GLY A 33 -20.530 2.208 -0.904 1.00 0.48 C ATOM 522 C GLY A 33 -20.121 2.315 0.553 1.00 0.46 C ATOM 523 O GLY A 33 -20.890 2.798 1.384 1.00 0.86 O ATOM 0 H GLY A 33 -19.620 0.323 -0.998 1.00 0.43 H new ATOM 0 HA2 GLY A 33 -20.301 3.145 -1.412 1.00 0.48 H new ATOM 0 HA3 GLY A 33 -21.609 2.068 -0.965 1.00 0.48 H new ATOM 527 N ASP A 34 -18.908 1.865 0.865 1.00 0.45 N ATOM 528 CA ASP A 34 -18.408 1.914 2.236 1.00 0.40 C ATOM 529 C ASP A 34 -16.904 2.177 2.263 1.00 0.38 C ATOM 530 O ASP A 34 -16.266 2.309 1.219 1.00 0.62 O ATOM 531 CB ASP A 34 -18.721 0.605 2.963 1.00 0.55 C ATOM 532 CG ASP A 34 -20.208 0.303 3.000 1.00 1.31 C ATOM 533 OD1 ASP A 34 -20.889 0.785 3.929 1.00 1.40 O ATOM 534 OD2 ASP A 34 -20.691 -0.416 2.100 1.00 2.13 O ATOM 0 H ASP A 34 -18.256 1.464 0.191 1.00 0.45 H new ATOM 0 HA ASP A 34 -18.910 2.736 2.747 1.00 0.40 H new ATOM 0 HB2 ASP A 34 -18.199 -0.215 2.470 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -18.339 0.659 3.982 1.00 0.55 H new ATOM 539 N CYS A 35 -16.346 2.253 3.469 1.00 0.40 N ATOM 540 CA CYS A 35 -14.918 2.501 3.642 1.00 0.44 C ATOM 541 C CYS A 35 -14.204 1.239 4.114 1.00 0.39 C ATOM 542 O CYS A 35 -14.631 0.596 5.073 1.00 0.61 O ATOM 543 CB CYS A 35 -14.695 3.633 4.647 1.00 0.72 C ATOM 544 SG CYS A 35 -15.465 5.200 4.177 1.00 1.60 S ATOM 0 H CYS A 35 -16.863 2.146 4.342 1.00 0.40 H new ATOM 0 HA CYS A 35 -14.504 2.794 2.677 1.00 0.44 H new ATOM 0 HB2 CYS A 35 -15.085 3.325 5.617 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -13.623 3.790 4.770 1.00 0.72 H new ATOM 0 HG CYS A 35 -15.223 6.094 5.090 1.00 1.60 H new ATOM 550 N GLU A 36 -13.110 0.894 3.441 1.00 0.32 N ATOM 551 CA GLU A 36 -12.341 -0.295 3.789 1.00 0.43 C ATOM 552 C GLU A 36 -10.851 0.008 3.820 1.00 0.34 C ATOM 553 O GLU A 36 -10.333 0.695 2.948 1.00 0.36 O ATOM 554 CB GLU A 36 -12.589 -1.397 2.769 1.00 0.63 C ATOM 555 CG GLU A 36 -14.039 -1.506 2.323 1.00 1.20 C ATOM 556 CD GLU A 36 -14.956 -1.986 3.431 1.00 1.70 C ATOM 557 OE1 GLU A 36 -14.844 -3.164 3.827 1.00 2.22 O ATOM 558 OE2 GLU A 36 -15.788 -1.182 3.903 1.00 2.27 O ATOM 0 H GLU A 36 -12.737 1.421 2.652 1.00 0.32 H new ATOM 0 HA GLU A 36 -12.663 -0.619 4.779 1.00 0.43 H new ATOM 0 HB2 GLU A 36 -11.962 -1.218 1.895 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -12.277 -2.351 3.195 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -14.381 -0.533 1.970 1.00 1.20 H new ATOM 0 HG3 GLU A 36 -14.105 -2.193 1.479 1.00 1.20 H new ATOM 565 N TRP A 37 -10.165 -0.519 4.819 1.00 0.40 N ATOM 566 CA TRP A 37 -8.729 -0.307 4.956 1.00 0.33 C ATOM 567 C TRP A 37 -7.927 -1.364 4.215 1.00 0.35 C ATOM 568 O TRP A 37 -8.346 -2.514 4.084 1.00 0.46 O ATOM 569 CB TRP A 37 -8.324 -0.300 6.431 1.00 0.38 C ATOM 570 CG TRP A 37 -8.444 1.046 7.068 1.00 0.39 C ATOM 571 CD1 TRP A 37 -8.406 2.249 6.431 1.00 0.45 C ATOM 572 CD2 TRP A 37 -8.610 1.332 8.461 1.00 0.46 C ATOM 573 NE1 TRP A 37 -8.544 3.271 7.339 1.00 0.51 N ATOM 574 CE2 TRP A 37 -8.670 2.733 8.593 1.00 0.50 C ATOM 575 CE3 TRP A 37 -8.718 0.543 9.609 1.00 0.58 C ATOM 576 CZ2 TRP A 37 -8.832 3.359 9.828 1.00 0.61 C ATOM 577 CZ3 TRP A 37 -8.877 1.165 10.833 1.00 0.71 C ATOM 578 CH2 TRP A 37 -8.934 2.561 10.934 1.00 0.70 C ATOM 0 H TRP A 37 -10.577 -1.098 5.550 1.00 0.40 H new ATOM 0 HA TRP A 37 -8.506 0.663 4.512 1.00 0.33 H new ATOM 0 HB2 TRP A 37 -8.947 -1.009 6.976 1.00 0.38 H new ATOM 0 HB3 TRP A 37 -7.294 -0.646 6.520 1.00 0.38 H new ATOM 0 HD1 TRP A 37 -8.285 2.381 5.366 1.00 0.45 H new ATOM 0 HE1 TRP A 37 -8.551 4.266 7.116 1.00 0.51 H new ATOM 0 HE3 TRP A 37 -8.678 -0.534 9.541 1.00 0.58 H new ATOM 0 HZ2 TRP A 37 -8.875 4.435 9.908 1.00 0.61 H new ATOM 0 HZ3 TRP A 37 -8.959 0.564 11.727 1.00 0.71 H new ATOM 0 HH2 TRP A 37 -9.061 3.016 11.905 1.00 0.70 H new ATOM 589 N VAL A 38 -6.762 -0.949 3.737 1.00 0.28 N ATOM 590 CA VAL A 38 -5.854 -1.828 3.021 1.00 0.37 C ATOM 591 C VAL A 38 -4.943 -2.546 4.011 1.00 0.36 C ATOM 592 O VAL A 38 -4.755 -2.091 5.140 1.00 0.31 O ATOM 593 CB VAL A 38 -5.013 -1.014 2.005 1.00 0.41 C ATOM 594 CG1 VAL A 38 -3.763 -1.761 1.556 1.00 0.65 C ATOM 595 CG2 VAL A 38 -5.862 -0.626 0.810 1.00 0.46 C ATOM 0 H VAL A 38 -6.422 0.007 3.836 1.00 0.28 H new ATOM 0 HA VAL A 38 -6.434 -2.571 2.473 1.00 0.37 H new ATOM 0 HB VAL A 38 -4.677 -0.110 2.513 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -3.209 -1.148 0.845 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -3.134 -1.971 2.421 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -4.051 -2.698 1.080 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -5.258 -0.055 0.105 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -6.236 -1.526 0.322 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -6.703 -0.018 1.143 1.00 0.46 H new ATOM 605 N LYS A 39 -4.379 -3.666 3.579 1.00 0.46 N ATOM 606 CA LYS A 39 -3.512 -4.454 4.439 1.00 0.48 C ATOM 607 C LYS A 39 -2.096 -3.899 4.495 1.00 0.38 C ATOM 608 O LYS A 39 -1.353 -3.942 3.515 1.00 0.45 O ATOM 609 CB LYS A 39 -3.495 -5.913 3.977 1.00 0.63 C ATOM 610 CG LYS A 39 -2.605 -6.811 4.820 1.00 0.67 C ATOM 611 CD LYS A 39 -2.709 -8.265 4.390 1.00 1.09 C ATOM 612 CE LYS A 39 -1.805 -9.158 5.225 1.00 1.61 C ATOM 613 NZ LYS A 39 -1.952 -10.595 4.866 1.00 2.32 N ATOM 0 H LYS A 39 -4.507 -4.047 2.641 1.00 0.46 H new ATOM 0 HA LYS A 39 -3.919 -4.399 5.449 1.00 0.48 H new ATOM 0 HB2 LYS A 39 -4.513 -6.303 3.997 1.00 0.63 H new ATOM 0 HB3 LYS A 39 -3.159 -5.953 2.941 1.00 0.63 H new ATOM 0 HG2 LYS A 39 -1.570 -6.480 4.737 1.00 0.67 H new ATOM 0 HG3 LYS A 39 -2.885 -6.720 5.869 1.00 0.67 H new ATOM 0 HD2 LYS A 39 -3.742 -8.601 4.484 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -2.440 -8.355 3.338 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -0.767 -8.854 5.086 1.00 1.61 H new ATOM 0 HE3 LYS A 39 -2.038 -9.023 6.281 1.00 1.61 H new ATOM 0 HZ1 LYS A 39 -1.318 -11.168 5.459 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -2.936 -10.893 5.023 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -1.705 -10.730 3.865 1.00 2.32 H new ATOM 627 N GLY A 40 -1.738 -3.379 5.665 1.00 0.32 N ATOM 628 CA GLY A 40 -0.415 -2.826 5.864 1.00 0.27 C ATOM 629 C GLY A 40 0.541 -3.807 6.502 1.00 0.28 C ATOM 630 O GLY A 40 1.354 -3.440 7.351 1.00 0.35 O ATOM 0 H GLY A 40 -2.347 -3.332 6.482 1.00 0.32 H new ATOM 0 HA2 GLY A 40 -0.012 -2.506 4.903 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -0.488 -1.937 6.491 1.00 0.27 H new ATOM 634 N VAL A 41 0.434 -5.063 6.097 1.00 0.29 N ATOM 635 CA VAL A 41 1.315 -6.105 6.597 1.00 0.39 C ATOM 636 C VAL A 41 2.193 -6.636 5.468 1.00 0.38 C ATOM 637 O VAL A 41 3.034 -7.506 5.688 1.00 0.45 O ATOM 638 CB VAL A 41 0.542 -7.293 7.199 1.00 0.50 C ATOM 639 CG1 VAL A 41 1.403 -8.021 8.220 1.00 0.68 C ATOM 640 CG2 VAL A 41 -0.772 -6.843 7.822 1.00 0.51 C ATOM 0 H VAL A 41 -0.258 -5.386 5.420 1.00 0.29 H new ATOM 0 HA VAL A 41 1.918 -5.649 7.382 1.00 0.39 H new ATOM 0 HB VAL A 41 0.302 -7.983 6.390 1.00 0.50 H new ATOM 0 HG11 VAL A 41 0.843 -8.858 8.637 1.00 0.68 H new ATOM 0 HG12 VAL A 41 2.306 -8.393 7.735 1.00 0.68 H new ATOM 0 HG13 VAL A 41 1.678 -7.334 9.020 1.00 0.68 H new ATOM 0 HG21 VAL A 41 -1.292 -7.706 8.237 1.00 0.51 H new ATOM 0 HG22 VAL A 41 -0.571 -6.124 8.616 1.00 0.51 H new ATOM 0 HG23 VAL A 41 -1.395 -6.376 7.059 1.00 0.51 H new ATOM 650 N HIS A 42 1.997 -6.110 4.254 1.00 0.35 N ATOM 651 CA HIS A 42 2.781 -6.556 3.110 1.00 0.40 C ATOM 652 C HIS A 42 4.186 -6.027 3.204 1.00 0.36 C ATOM 653 O HIS A 42 4.576 -5.122 2.481 1.00 0.31 O ATOM 654 CB HIS A 42 2.101 -6.155 1.801 1.00 0.43 C ATOM 655 CG HIS A 42 1.667 -7.321 0.966 1.00 0.64 C ATOM 656 ND1 HIS A 42 1.971 -7.446 -0.373 1.00 1.35 N ATOM 657 CD2 HIS A 42 0.932 -8.414 1.286 1.00 1.27 C ATOM 658 CE1 HIS A 42 1.441 -8.564 -0.841 1.00 1.32 C ATOM 659 NE2 HIS A 42 0.807 -9.168 0.145 1.00 1.17 N ATOM 0 H HIS A 42 1.311 -5.385 4.045 1.00 0.35 H new ATOM 0 HA HIS A 42 2.839 -7.644 3.120 1.00 0.40 H new ATOM 0 HB2 HIS A 42 1.231 -5.538 2.028 1.00 0.43 H new ATOM 0 HB3 HIS A 42 2.787 -5.538 1.220 1.00 0.43 H new ATOM 0 HD2 HIS A 42 0.521 -8.648 2.257 1.00 1.27 H new ATOM 0 HE1 HIS A 42 1.515 -8.921 -1.858 1.00 1.32 H new ATOM 0 HE2 HIS A 42 0.305 -10.053 0.072 1.00 1.17 H new ATOM 668 N VAL A 43 4.942 -6.686 4.077 1.00 0.43 N ATOM 669 CA VAL A 43 6.327 -6.334 4.382 1.00 0.44 C ATOM 670 C VAL A 43 7.238 -6.299 3.170 1.00 0.44 C ATOM 671 O VAL A 43 8.144 -7.117 3.038 1.00 0.54 O ATOM 672 CB VAL A 43 6.913 -7.303 5.430 1.00 0.55 C ATOM 673 CG1 VAL A 43 6.775 -8.742 4.960 1.00 1.49 C ATOM 674 CG2 VAL A 43 8.370 -6.975 5.737 1.00 1.34 C ATOM 0 H VAL A 43 4.605 -7.493 4.602 1.00 0.43 H new ATOM 0 HA VAL A 43 6.288 -5.319 4.777 1.00 0.44 H new ATOM 0 HB VAL A 43 6.345 -7.182 6.352 1.00 0.55 H new ATOM 0 HG11 VAL A 43 7.193 -9.412 5.711 1.00 1.49 H new ATOM 0 HG12 VAL A 43 5.721 -8.977 4.811 1.00 1.49 H new ATOM 0 HG13 VAL A 43 7.311 -8.871 4.020 1.00 1.49 H new ATOM 0 HG21 VAL A 43 8.752 -7.676 6.479 1.00 1.34 H new ATOM 0 HG22 VAL A 43 8.961 -7.054 4.824 1.00 1.34 H new ATOM 0 HG23 VAL A 43 8.440 -5.960 6.128 1.00 1.34 H new ATOM 684 N ALA A 44 7.011 -5.310 2.319 1.00 0.36 N ATOM 685 CA ALA A 44 7.828 -5.095 1.137 1.00 0.42 C ATOM 686 C ALA A 44 8.986 -4.180 1.492 1.00 0.41 C ATOM 687 O ALA A 44 9.236 -3.178 0.822 1.00 0.45 O ATOM 688 CB ALA A 44 6.999 -4.502 0.009 1.00 0.48 C ATOM 0 H ALA A 44 6.255 -4.634 2.429 1.00 0.36 H new ATOM 0 HA ALA A 44 8.219 -6.052 0.791 1.00 0.42 H new ATOM 0 HB1 ALA A 44 7.631 -4.349 -0.866 1.00 0.48 H new ATOM 0 HB2 ALA A 44 6.188 -5.185 -0.244 1.00 0.48 H new ATOM 0 HB3 ALA A 44 6.583 -3.546 0.327 1.00 0.48 H new ATOM 694 N GLU A 45 9.692 -4.544 2.559 1.00 0.43 N ATOM 695 CA GLU A 45 10.828 -3.764 3.040 1.00 0.49 C ATOM 696 C GLU A 45 11.765 -3.433 1.889 1.00 0.53 C ATOM 697 O GLU A 45 12.477 -2.431 1.916 1.00 0.62 O ATOM 698 CB GLU A 45 11.582 -4.533 4.126 1.00 0.58 C ATOM 699 CG GLU A 45 12.713 -3.742 4.763 1.00 1.27 C ATOM 700 CD GLU A 45 12.223 -2.504 5.488 1.00 1.96 C ATOM 701 OE1 GLU A 45 11.889 -2.611 6.687 1.00 2.42 O ATOM 702 OE2 GLU A 45 12.171 -1.428 4.857 1.00 2.44 O ATOM 0 H GLU A 45 9.495 -5.380 3.110 1.00 0.43 H new ATOM 0 HA GLU A 45 10.453 -2.834 3.467 1.00 0.49 H new ATOM 0 HB2 GLU A 45 10.878 -4.832 4.902 1.00 0.58 H new ATOM 0 HB3 GLU A 45 11.988 -5.448 3.695 1.00 0.58 H new ATOM 0 HG2 GLU A 45 13.248 -4.382 5.465 1.00 1.27 H new ATOM 0 HG3 GLU A 45 13.425 -3.449 3.992 1.00 1.27 H new ATOM 709 N ASP A 46 11.753 -4.290 0.878 1.00 0.54 N ATOM 710 CA ASP A 46 12.586 -4.087 -0.301 1.00 0.62 C ATOM 711 C ASP A 46 12.081 -2.900 -1.096 1.00 0.65 C ATOM 712 O ASP A 46 12.847 -2.016 -1.455 1.00 0.75 O ATOM 713 CB ASP A 46 12.590 -5.340 -1.174 1.00 0.68 C ATOM 714 CG ASP A 46 13.497 -5.200 -2.381 1.00 1.64 C ATOM 715 OD1 ASP A 46 14.724 -5.368 -2.224 1.00 1.96 O ATOM 716 OD2 ASP A 46 12.979 -4.921 -3.483 1.00 2.48 O ATOM 0 H ASP A 46 11.177 -5.131 0.849 1.00 0.54 H new ATOM 0 HA ASP A 46 13.607 -3.887 0.024 1.00 0.62 H new ATOM 0 HB2 ASP A 46 12.912 -6.194 -0.578 1.00 0.68 H new ATOM 0 HB3 ASP A 46 11.574 -5.550 -1.509 1.00 0.68 H new ATOM 721 N VAL A 47 10.779 -2.869 -1.343 1.00 0.62 N ATOM 722 CA VAL A 47 10.184 -1.780 -2.098 1.00 0.72 C ATOM 723 C VAL A 47 10.434 -0.452 -1.393 1.00 0.75 C ATOM 724 O VAL A 47 10.561 0.572 -2.035 1.00 0.88 O ATOM 725 CB VAL A 47 8.673 -1.988 -2.281 1.00 0.73 C ATOM 726 CG1 VAL A 47 8.097 -0.918 -3.188 1.00 0.84 C ATOM 727 CG2 VAL A 47 8.387 -3.371 -2.842 1.00 0.76 C ATOM 0 H VAL A 47 10.119 -3.582 -1.033 1.00 0.62 H new ATOM 0 HA VAL A 47 10.652 -1.764 -3.082 1.00 0.72 H new ATOM 0 HB VAL A 47 8.195 -1.909 -1.305 1.00 0.73 H new ATOM 0 HG11 VAL A 47 7.026 -1.080 -3.307 1.00 0.84 H new ATOM 0 HG12 VAL A 47 8.269 0.064 -2.747 1.00 0.84 H new ATOM 0 HG13 VAL A 47 8.582 -0.968 -4.163 1.00 0.84 H new ATOM 0 HG21 VAL A 47 7.311 -3.499 -2.964 1.00 0.76 H new ATOM 0 HG22 VAL A 47 8.878 -3.480 -3.809 1.00 0.76 H new ATOM 0 HG23 VAL A 47 8.766 -4.128 -2.155 1.00 0.76 H new ATOM 737 N ALA A 48 10.509 -0.522 -0.065 1.00 0.68 N ATOM 738 CA ALA A 48 10.759 0.620 0.823 1.00 0.77 C ATOM 739 C ALA A 48 12.235 0.958 0.825 1.00 0.86 C ATOM 740 O ALA A 48 12.630 2.071 0.476 1.00 0.99 O ATOM 741 CB ALA A 48 10.298 0.290 2.234 1.00 0.70 C ATOM 0 H ALA A 48 10.394 -1.400 0.441 1.00 0.68 H new ATOM 0 HA ALA A 48 10.199 1.482 0.461 1.00 0.77 H new ATOM 0 HB1 ALA A 48 10.487 1.142 2.887 1.00 0.70 H new ATOM 0 HB2 ALA A 48 9.231 0.069 2.226 1.00 0.70 H new ATOM 0 HB3 ALA A 48 10.846 -0.578 2.602 1.00 0.70 H new ATOM 747 N LYS A 49 13.056 -0.010 1.224 1.00 0.81 N ATOM 748 CA LYS A 49 14.493 0.190 1.233 1.00 0.92 C ATOM 749 C LYS A 49 14.949 0.563 -0.173 1.00 0.98 C ATOM 750 O LYS A 49 15.967 1.227 -0.364 1.00 1.11 O ATOM 751 CB LYS A 49 15.217 -1.071 1.711 1.00 0.90 C ATOM 752 CG LYS A 49 14.984 -1.386 3.180 1.00 1.34 C ATOM 753 CD LYS A 49 15.854 -2.542 3.653 1.00 2.07 C ATOM 754 CE LYS A 49 15.635 -3.794 2.817 1.00 2.67 C ATOM 755 NZ LYS A 49 16.577 -3.871 1.666 1.00 3.35 N ATOM 0 H LYS A 49 12.750 -0.930 1.541 1.00 0.81 H new ATOM 0 HA LYS A 49 14.738 0.995 1.925 1.00 0.92 H new ATOM 0 HB2 LYS A 49 14.888 -1.919 1.110 1.00 0.90 H new ATOM 0 HB3 LYS A 49 16.287 -0.953 1.538 1.00 0.90 H new ATOM 0 HG2 LYS A 49 15.197 -0.501 3.780 1.00 1.34 H new ATOM 0 HG3 LYS A 49 13.934 -1.633 3.337 1.00 1.34 H new ATOM 0 HD2 LYS A 49 16.903 -2.251 3.603 1.00 2.07 H new ATOM 0 HD3 LYS A 49 15.633 -2.760 4.698 1.00 2.07 H new ATOM 0 HE2 LYS A 49 15.759 -4.676 3.446 1.00 2.67 H new ATOM 0 HE3 LYS A 49 14.610 -3.808 2.447 1.00 2.67 H new ATOM 0 HZ1 LYS A 49 16.040 -4.013 0.787 1.00 3.35 H new ATOM 0 HZ2 LYS A 49 17.119 -2.986 1.602 1.00 3.35 H new ATOM 0 HZ3 LYS A 49 17.230 -4.668 1.805 1.00 3.35 H new ATOM 769 N ASP A 50 14.186 0.105 -1.161 1.00 0.91 N ATOM 770 CA ASP A 50 14.473 0.396 -2.551 1.00 1.00 C ATOM 771 C ASP A 50 13.713 1.644 -2.996 1.00 1.12 C ATOM 772 O ASP A 50 14.093 2.299 -3.965 1.00 1.28 O ATOM 773 CB ASP A 50 14.105 -0.800 -3.432 1.00 0.94 C ATOM 774 CG ASP A 50 14.780 -0.750 -4.790 1.00 1.38 C ATOM 775 OD1 ASP A 50 15.938 -1.207 -4.894 1.00 2.00 O ATOM 776 OD2 ASP A 50 14.151 -0.252 -5.748 1.00 1.45 O ATOM 0 H ASP A 50 13.359 -0.474 -1.017 1.00 0.91 H new ATOM 0 HA ASP A 50 15.541 0.585 -2.656 1.00 1.00 H new ATOM 0 HB2 ASP A 50 14.387 -1.722 -2.924 1.00 0.94 H new ATOM 0 HB3 ASP A 50 13.024 -0.828 -3.568 1.00 0.94 H new ATOM 781 N TYR A 51 12.626 1.968 -2.285 1.00 1.07 N ATOM 782 CA TYR A 51 11.833 3.138 -2.623 1.00 1.22 C ATOM 783 C TYR A 51 12.563 4.404 -2.229 1.00 1.37 C ATOM 784 O TYR A 51 13.031 5.171 -3.068 1.00 1.51 O ATOM 785 CB TYR A 51 10.475 3.162 -1.918 1.00 1.20 C ATOM 786 CG TYR A 51 9.297 2.800 -2.803 1.00 1.26 C ATOM 787 CD1 TYR A 51 9.278 3.147 -4.150 1.00 1.68 C ATOM 788 CD2 TYR A 51 8.216 2.088 -2.299 1.00 1.11 C ATOM 789 CE1 TYR A 51 8.218 2.794 -4.963 1.00 1.87 C ATOM 790 CE2 TYR A 51 7.151 1.737 -3.105 1.00 1.18 C ATOM 791 CZ TYR A 51 7.115 2.179 -4.417 1.00 1.57 C ATOM 792 OH TYR A 51 6.101 1.738 -5.244 1.00 1.77 O ATOM 0 H TYR A 51 12.285 1.438 -1.483 1.00 1.07 H new ATOM 0 HA TYR A 51 11.674 3.085 -3.700 1.00 1.22 H new ATOM 0 HB2 TYR A 51 10.506 2.471 -1.076 1.00 1.20 H new ATOM 0 HB3 TYR A 51 10.311 4.158 -1.507 1.00 1.20 H new ATOM 0 HD1 TYR A 51 10.106 3.702 -4.567 1.00 1.68 H new ATOM 0 HD2 TYR A 51 8.208 1.804 -1.257 1.00 1.11 H new ATOM 0 HE1 TYR A 51 8.255 3.000 -6.023 1.00 1.87 H new ATOM 0 HE2 TYR A 51 6.353 1.123 -2.715 1.00 1.18 H new ATOM 0 HH TYR A 51 5.395 1.325 -4.704 1.00 1.77 H new ATOM 802 N GLU A 52 12.646 4.596 -0.916 1.00 1.35 N ATOM 803 CA GLU A 52 13.268 5.775 -0.353 1.00 1.51 C ATOM 804 C GLU A 52 14.778 5.614 -0.229 1.00 1.55 C ATOM 805 O GLU A 52 15.542 6.475 -0.665 1.00 1.70 O ATOM 806 CB GLU A 52 12.658 6.097 1.014 1.00 1.52 C ATOM 807 CG GLU A 52 13.030 5.105 2.104 1.00 1.43 C ATOM 808 CD GLU A 52 12.339 5.399 3.420 1.00 1.44 C ATOM 809 OE1 GLU A 52 12.551 6.501 3.968 1.00 1.77 O ATOM 810 OE2 GLU A 52 11.589 4.526 3.904 1.00 1.20 O ATOM 0 H GLU A 52 12.285 3.941 -0.223 1.00 1.35 H new ATOM 0 HA GLU A 52 13.078 6.603 -1.036 1.00 1.51 H new ATOM 0 HB2 GLU A 52 12.979 7.093 1.318 1.00 1.52 H new ATOM 0 HB3 GLU A 52 11.573 6.127 0.919 1.00 1.52 H new ATOM 0 HG2 GLU A 52 12.769 4.098 1.778 1.00 1.43 H new ATOM 0 HG3 GLU A 52 14.110 5.122 2.253 1.00 1.43 H new ATOM 817 N ASP A 53 15.200 4.508 0.367 1.00 1.43 N ATOM 818 CA ASP A 53 16.615 4.238 0.559 1.00 1.48 C ATOM 819 C ASP A 53 17.276 3.840 -0.760 1.00 1.47 C ATOM 820 O ASP A 53 18.482 4.007 -0.932 1.00 1.59 O ATOM 821 CB ASP A 53 16.789 3.149 1.625 1.00 1.40 C ATOM 822 CG ASP A 53 18.182 2.542 1.647 1.00 1.76 C ATOM 823 OD1 ASP A 53 19.076 3.132 2.289 1.00 1.84 O ATOM 824 OD2 ASP A 53 18.375 1.476 1.025 1.00 2.30 O ATOM 0 H ASP A 53 14.580 3.782 0.726 1.00 1.43 H new ATOM 0 HA ASP A 53 17.109 5.145 0.906 1.00 1.48 H new ATOM 0 HB2 ASP A 53 16.570 3.572 2.605 1.00 1.40 H new ATOM 0 HB3 ASP A 53 16.059 2.359 1.449 1.00 1.40 H new ATOM 829 N GLY A 54 16.483 3.315 -1.689 1.00 1.36 N ATOM 830 CA GLY A 54 17.022 2.919 -2.975 1.00 1.37 C ATOM 831 C GLY A 54 17.678 4.081 -3.691 1.00 1.49 C ATOM 832 O GLY A 54 18.730 3.927 -4.311 1.00 1.61 O ATOM 0 H GLY A 54 15.482 3.158 -1.574 1.00 1.36 H new ATOM 0 HA2 GLY A 54 17.751 2.121 -2.834 1.00 1.37 H new ATOM 0 HA3 GLY A 54 16.222 2.514 -3.595 1.00 1.37 H new ATOM 836 N LEU A 55 17.049 5.249 -3.603 1.00 1.49 N ATOM 837 CA LEU A 55 17.576 6.453 -4.230 1.00 1.63 C ATOM 838 C LEU A 55 18.561 7.146 -3.297 1.00 1.70 C ATOM 839 O LEU A 55 19.707 7.406 -3.666 1.00 1.78 O ATOM 840 CB LEU A 55 16.439 7.413 -4.594 1.00 1.67 C ATOM 841 CG LEU A 55 15.591 7.003 -5.802 1.00 1.85 C ATOM 842 CD1 LEU A 55 14.770 8.183 -6.297 1.00 2.26 C ATOM 843 CD2 LEU A 55 16.470 6.460 -6.921 1.00 2.34 C ATOM 0 H LEU A 55 16.171 5.386 -3.102 1.00 1.49 H new ATOM 0 HA LEU A 55 18.095 6.164 -5.144 1.00 1.63 H new ATOM 0 HB2 LEU A 55 15.783 7.516 -3.730 1.00 1.67 H new ATOM 0 HB3 LEU A 55 16.866 8.397 -4.789 1.00 1.67 H new ATOM 0 HG LEU A 55 14.910 6.211 -5.489 1.00 1.85 H new ATOM 0 HD11 LEU A 55 14.173 7.876 -7.156 1.00 2.26 H new ATOM 0 HD12 LEU A 55 14.110 8.527 -5.500 1.00 2.26 H new ATOM 0 HD13 LEU A 55 15.438 8.993 -6.590 1.00 2.26 H new ATOM 0 HD21 LEU A 55 15.846 6.175 -7.768 1.00 2.34 H new ATOM 0 HD22 LEU A 55 17.177 7.228 -7.233 1.00 2.34 H new ATOM 0 HD23 LEU A 55 17.017 5.587 -6.563 1.00 2.34 H new ATOM 855 N GLU A 56 18.103 7.442 -2.086 1.00 1.70 N ATOM 856 CA GLU A 56 18.938 8.097 -1.090 1.00 1.80 C ATOM 857 C GLU A 56 19.695 7.069 -0.259 1.00 1.75 C ATOM 858 O GLU A 56 19.535 6.997 0.959 1.00 1.78 O ATOM 859 CB GLU A 56 18.086 8.983 -0.184 1.00 1.87 C ATOM 860 CG GLU A 56 17.576 10.240 -0.870 1.00 1.94 C ATOM 861 CD GLU A 56 16.771 11.125 0.061 1.00 2.37 C ATOM 862 OE1 GLU A 56 17.377 11.983 0.736 1.00 2.57 O ATOM 863 OE2 GLU A 56 15.534 10.961 0.113 1.00 2.95 O ATOM 0 H GLU A 56 17.155 7.237 -1.771 1.00 1.70 H new ATOM 0 HA GLU A 56 19.665 8.721 -1.610 1.00 1.80 H new ATOM 0 HB2 GLU A 56 17.235 8.406 0.179 1.00 1.87 H new ATOM 0 HB3 GLU A 56 18.674 9.268 0.689 1.00 1.87 H new ATOM 0 HG2 GLU A 56 18.422 10.805 -1.261 1.00 1.94 H new ATOM 0 HG3 GLU A 56 16.958 9.959 -1.723 1.00 1.94 H new ATOM 870 N TYR A 57 20.522 6.277 -0.932 1.00 1.71 N ATOM 871 CA TYR A 57 21.310 5.246 -0.267 1.00 1.68 C ATOM 872 C TYR A 57 22.659 5.800 0.179 1.00 1.81 C ATOM 873 O TYR A 57 22.742 6.307 1.317 1.00 2.23 O ATOM 874 CB TYR A 57 21.518 4.054 -1.204 1.00 1.60 C ATOM 875 CG TYR A 57 22.277 2.910 -0.570 1.00 1.59 C ATOM 876 CD1 TYR A 57 21.626 1.974 0.222 1.00 1.54 C ATOM 877 CD2 TYR A 57 23.646 2.768 -0.765 1.00 1.67 C ATOM 878 CE1 TYR A 57 22.316 0.927 0.802 1.00 1.58 C ATOM 879 CE2 TYR A 57 24.343 1.724 -0.187 1.00 1.68 C ATOM 880 CZ TYR A 57 23.675 0.806 0.595 1.00 1.64 C ATOM 881 OH TYR A 57 24.364 -0.235 1.171 1.00 1.69 O ATOM 882 OXT TYR A 57 23.620 5.723 -0.615 1.00 2.06 O ATOM 0 H TYR A 57 20.664 6.330 -1.941 1.00 1.71 H new ATOM 0 HA TYR A 57 20.764 4.914 0.616 1.00 1.68 H new ATOM 0 HB2 TYR A 57 20.546 3.692 -1.539 1.00 1.60 H new ATOM 0 HB3 TYR A 57 22.057 4.389 -2.090 1.00 1.60 H new ATOM 0 HD1 TYR A 57 20.563 2.066 0.387 1.00 1.54 H new ATOM 0 HD2 TYR A 57 24.173 3.485 -1.378 1.00 1.67 H new ATOM 0 HE1 TYR A 57 21.794 0.207 1.415 1.00 1.58 H new ATOM 0 HE2 TYR A 57 25.407 1.628 -0.347 1.00 1.68 H new ATOM 0 HH TYR A 57 25.311 -0.176 0.926 1.00 1.69 H new TER 892 TYR A 57 ATOM 893 N ALA B 1 -16.384 -12.816 1.772 1.00 5.20 N ATOM 894 CA ALA B 1 -16.744 -12.596 0.346 1.00 4.69 C ATOM 895 C ALA B 1 -16.893 -11.110 0.020 1.00 3.91 C ATOM 896 O ALA B 1 -16.369 -10.640 -0.990 1.00 3.61 O ATOM 897 CB ALA B 1 -18.028 -13.341 0.004 1.00 4.99 C ATOM 0 H1 ALA B 1 -15.708 -13.603 1.842 1.00 5.20 H new ATOM 0 H2 ALA B 1 -15.951 -11.953 2.158 1.00 5.20 H new ATOM 0 H3 ALA B 1 -17.241 -13.046 2.315 1.00 5.20 H new ATOM 0 HA ALA B 1 -15.929 -12.987 -0.262 1.00 4.69 H new ATOM 0 HB1 ALA B 1 -18.280 -13.171 -1.043 1.00 4.99 H new ATOM 0 HB2 ALA B 1 -17.886 -14.408 0.174 1.00 4.99 H new ATOM 0 HB3 ALA B 1 -18.839 -12.978 0.636 1.00 4.99 H new ATOM 905 N PRO B 2 -17.606 -10.345 0.868 1.00 3.99 N ATOM 906 CA PRO B 2 -17.814 -8.910 0.646 1.00 3.65 C ATOM 907 C PRO B 2 -16.527 -8.180 0.268 1.00 2.77 C ATOM 908 O PRO B 2 -15.691 -7.896 1.125 1.00 2.79 O ATOM 909 CB PRO B 2 -18.330 -8.419 1.998 1.00 4.44 C ATOM 910 CG PRO B 2 -19.013 -9.600 2.593 1.00 5.12 C ATOM 911 CD PRO B 2 -18.262 -10.812 2.104 1.00 4.90 C ATOM 0 HA PRO B 2 -18.495 -8.722 -0.184 1.00 3.65 H new ATOM 0 HB2 PRO B 2 -17.513 -8.073 2.632 1.00 4.44 H new ATOM 0 HB3 PRO B 2 -19.018 -7.582 1.879 1.00 4.44 H new ATOM 0 HG2 PRO B 2 -19.002 -9.548 3.682 1.00 5.12 H new ATOM 0 HG3 PRO B 2 -20.058 -9.640 2.287 1.00 5.12 H new ATOM 0 HD2 PRO B 2 -17.533 -11.154 2.839 1.00 4.90 H new ATOM 0 HD3 PRO B 2 -18.934 -11.647 1.909 1.00 4.90 H new ATOM 919 N PRO B 3 -16.353 -7.867 -1.029 1.00 2.55 N ATOM 920 CA PRO B 3 -15.164 -7.161 -1.518 1.00 2.38 C ATOM 921 C PRO B 3 -14.947 -5.830 -0.806 1.00 2.11 C ATOM 922 O PRO B 3 -15.589 -4.830 -1.129 1.00 2.74 O ATOM 923 CB PRO B 3 -15.467 -6.930 -3.001 1.00 3.12 C ATOM 924 CG PRO B 3 -16.466 -7.977 -3.354 1.00 3.56 C ATOM 925 CD PRO B 3 -17.294 -8.184 -2.118 1.00 3.22 C ATOM 0 HA PRO B 3 -14.252 -7.732 -1.341 1.00 2.38 H new ATOM 0 HB2 PRO B 3 -15.865 -5.930 -3.172 1.00 3.12 H new ATOM 0 HB3 PRO B 3 -14.566 -7.022 -3.608 1.00 3.12 H new ATOM 0 HG2 PRO B 3 -17.086 -7.659 -4.192 1.00 3.56 H new ATOM 0 HG3 PRO B 3 -15.974 -8.902 -3.655 1.00 3.56 H new ATOM 0 HD2 PRO B 3 -18.165 -7.529 -2.102 1.00 3.22 H new ATOM 0 HD3 PRO B 3 -17.663 -9.207 -2.047 1.00 3.22 H new ATOM 933 N GLY B 4 -14.040 -5.823 0.165 1.00 1.73 N ATOM 934 CA GLY B 4 -13.754 -4.608 0.906 1.00 1.69 C ATOM 935 C GLY B 4 -12.585 -3.839 0.325 1.00 1.53 C ATOM 936 O GLY B 4 -12.751 -3.051 -0.607 1.00 2.11 O ATOM 0 H GLY B 4 -13.497 -6.637 0.452 1.00 1.73 H new ATOM 0 HA2 GLY B 4 -14.639 -3.971 0.910 1.00 1.69 H new ATOM 0 HA3 GLY B 4 -13.539 -4.861 1.944 1.00 1.69 H new ATOM 940 N THR B 5 -11.396 -4.067 0.876 1.00 1.20 N ATOM 941 CA THR B 5 -10.196 -3.391 0.403 1.00 1.17 C ATOM 942 C THR B 5 -9.518 -4.181 -0.709 1.00 1.11 C ATOM 943 O THR B 5 -9.839 -5.346 -0.945 1.00 1.30 O ATOM 944 CB THR B 5 -9.188 -3.173 1.542 1.00 1.49 C ATOM 945 OG1 THR B 5 -8.068 -2.428 1.057 1.00 1.85 O ATOM 946 CG2 THR B 5 -8.711 -4.503 2.107 1.00 1.82 C ATOM 0 H THR B 5 -11.240 -4.714 1.649 1.00 1.20 H new ATOM 0 HA THR B 5 -10.515 -2.423 0.016 1.00 1.17 H new ATOM 0 HB THR B 5 -9.683 -2.617 2.338 1.00 1.49 H new ATOM 0 HG1 THR B 5 -7.359 -3.046 0.780 1.00 1.85 H new ATOM 0 HG21 THR B 5 -7.998 -4.322 2.912 1.00 1.82 H new ATOM 0 HG22 THR B 5 -9.564 -5.060 2.496 1.00 1.82 H new ATOM 0 HG23 THR B 5 -8.229 -5.081 1.319 1.00 1.82 H new ATOM 954 N ALA B 6 -8.573 -3.538 -1.387 1.00 1.15 N ATOM 955 CA ALA B 6 -7.846 -4.171 -2.479 1.00 1.27 C ATOM 956 C ALA B 6 -6.345 -4.185 -2.206 1.00 1.57 C ATOM 957 O ALA B 6 -5.548 -3.763 -3.043 1.00 1.86 O ATOM 958 CB ALA B 6 -8.143 -3.451 -3.786 1.00 1.16 C ATOM 0 H ALA B 6 -8.293 -2.576 -1.198 1.00 1.15 H new ATOM 0 HA ALA B 6 -8.179 -5.206 -2.559 1.00 1.27 H new ATOM 0 HB1 ALA B 6 -7.596 -3.930 -4.598 1.00 1.16 H new ATOM 0 HB2 ALA B 6 -9.212 -3.497 -3.992 1.00 1.16 H new ATOM 0 HB3 ALA B 6 -7.834 -2.409 -3.706 1.00 1.16 H new ATOM 964 N ARG B 7 -5.968 -4.683 -1.029 1.00 2.16 N ATOM 965 CA ARG B 7 -4.562 -4.763 -0.628 1.00 2.49 C ATOM 966 C ARG B 7 -3.681 -5.247 -1.776 1.00 1.97 C ATOM 967 O ARG B 7 -4.049 -6.182 -2.488 1.00 2.16 O ATOM 968 CB ARG B 7 -4.418 -5.717 0.559 1.00 3.50 C ATOM 969 CG ARG B 7 -4.857 -7.140 0.247 1.00 4.23 C ATOM 970 CD ARG B 7 -4.753 -8.040 1.468 1.00 5.24 C ATOM 971 NE ARG B 7 -5.161 -9.413 1.172 1.00 5.78 N ATOM 972 CZ ARG B 7 -4.351 -10.328 0.647 1.00 6.67 C ATOM 973 NH1 ARG B 7 -3.095 -10.021 0.351 1.00 7.13 N ATOM 974 NH2 ARG B 7 -4.799 -11.555 0.415 1.00 7.29 N ATOM 0 H ARG B 7 -6.621 -5.040 -0.331 1.00 2.16 H new ATOM 0 HA ARG B 7 -4.236 -3.762 -0.345 1.00 2.49 H new ATOM 0 HB2 ARG B 7 -3.377 -5.728 0.882 1.00 3.50 H new ATOM 0 HB3 ARG B 7 -5.007 -5.338 1.394 1.00 3.50 H new ATOM 0 HG2 ARG B 7 -5.886 -7.133 -0.114 1.00 4.23 H new ATOM 0 HG3 ARG B 7 -4.240 -7.543 -0.556 1.00 4.23 H new ATOM 0 HD2 ARG B 7 -3.726 -8.038 1.834 1.00 5.24 H new ATOM 0 HD3 ARG B 7 -5.377 -7.640 2.267 1.00 5.24 H new ATOM 0 HE ARG B 7 -6.122 -9.684 1.380 1.00 5.78 H new ATOM 0 HH11 ARG B 7 -2.745 -9.079 0.526 1.00 7.13 H new ATOM 0 HH12 ARG B 7 -2.479 -10.727 -0.051 1.00 7.13 H new ATOM 0 HH21 ARG B 7 -5.764 -11.796 0.639 1.00 7.29 H new ATOM 0 HH22 ARG B 7 -4.178 -12.257 0.012 1.00 7.29 H new ATOM 988 N ARG B 8 -2.515 -4.617 -1.965 1.00 1.65 N ATOM 989 CA ARG B 8 -1.616 -5.033 -3.031 1.00 1.81 C ATOM 990 C ARG B 8 -1.367 -6.534 -2.938 1.00 2.34 C ATOM 991 O ARG B 8 -1.258 -7.085 -1.842 1.00 3.35 O ATOM 992 CB ARG B 8 -0.294 -4.271 -2.959 1.00 2.17 C ATOM 993 CG ARG B 8 0.521 -4.362 -4.238 1.00 2.70 C ATOM 994 CD ARG B 8 -0.186 -3.677 -5.395 1.00 3.52 C ATOM 995 NE ARG B 8 0.609 -3.704 -6.619 1.00 4.36 N ATOM 996 CZ ARG B 8 0.165 -3.276 -7.796 1.00 5.31 C ATOM 997 NH1 ARG B 8 -1.069 -2.803 -7.907 1.00 5.56 N ATOM 998 NH2 ARG B 8 0.952 -3.319 -8.861 1.00 6.23 N ATOM 0 H ARG B 8 -2.183 -3.834 -1.403 1.00 1.65 H new ATOM 0 HA ARG B 8 -2.084 -4.805 -3.989 1.00 1.81 H new ATOM 0 HB2 ARG B 8 -0.498 -3.223 -2.740 1.00 2.17 H new ATOM 0 HB3 ARG B 8 0.298 -4.661 -2.131 1.00 2.17 H new ATOM 0 HG2 ARG B 8 1.497 -3.903 -4.083 1.00 2.70 H new ATOM 0 HG3 ARG B 8 0.697 -5.409 -4.485 1.00 2.70 H new ATOM 0 HD2 ARG B 8 -1.144 -4.166 -5.575 1.00 3.52 H new ATOM 0 HD3 ARG B 8 -0.402 -2.643 -5.126 1.00 3.52 H new ATOM 0 HE ARG B 8 1.559 -4.072 -6.568 1.00 4.36 H new ATOM 0 HH11 ARG B 8 -1.677 -2.768 -7.089 1.00 5.56 H new ATOM 0 HH12 ARG B 8 -1.410 -2.474 -8.810 1.00 5.56 H new ATOM 0 HH21 ARG B 8 1.902 -3.681 -8.779 1.00 6.23 H new ATOM 0 HH22 ARG B 8 0.608 -2.990 -9.763 1.00 6.23 H new ATOM 1012 N LYS B 9 -1.276 -7.188 -4.083 1.00 1.97 N ATOM 1013 CA LYS B 9 -1.070 -8.639 -4.109 1.00 2.57 C ATOM 1014 C LYS B 9 0.153 -9.029 -4.934 1.00 1.88 C ATOM 1015 O LYS B 9 0.104 -9.972 -5.724 1.00 1.98 O ATOM 1016 CB LYS B 9 -2.317 -9.359 -4.645 1.00 3.57 C ATOM 1017 CG LYS B 9 -2.332 -10.851 -4.354 1.00 4.55 C ATOM 1018 CD LYS B 9 -2.339 -11.127 -2.858 1.00 5.55 C ATOM 1019 CE LYS B 9 -2.596 -12.596 -2.562 1.00 6.48 C ATOM 1020 NZ LYS B 9 -1.578 -13.478 -3.198 1.00 7.18 N ATOM 0 H LYS B 9 -1.340 -6.750 -5.002 1.00 1.97 H new ATOM 0 HA LYS B 9 -0.892 -8.953 -3.080 1.00 2.57 H new ATOM 0 HB2 LYS B 9 -3.205 -8.903 -4.207 1.00 3.57 H new ATOM 0 HB3 LYS B 9 -2.379 -9.207 -5.723 1.00 3.57 H new ATOM 0 HG2 LYS B 9 -3.211 -11.303 -4.813 1.00 4.55 H new ATOM 0 HG3 LYS B 9 -1.459 -11.320 -4.808 1.00 4.55 H new ATOM 0 HD2 LYS B 9 -1.382 -10.830 -2.428 1.00 5.55 H new ATOM 0 HD3 LYS B 9 -3.106 -10.519 -2.379 1.00 5.55 H new ATOM 0 HE2 LYS B 9 -2.591 -12.755 -1.484 1.00 6.48 H new ATOM 0 HE3 LYS B 9 -3.588 -12.870 -2.920 1.00 6.48 H new ATOM 0 HZ1 LYS B 9 -1.707 -14.454 -2.864 1.00 7.18 H new ATOM 0 HZ2 LYS B 9 -1.690 -13.448 -4.232 1.00 7.18 H new ATOM 0 HZ3 LYS B 9 -0.625 -13.148 -2.943 1.00 7.18 H new ATOM 1034 N ARG B 10 1.250 -8.297 -4.755 1.00 1.72 N ATOM 1035 CA ARG B 10 2.487 -8.593 -5.469 1.00 1.51 C ATOM 1036 C ARG B 10 3.556 -9.076 -4.493 1.00 1.39 C ATOM 1037 O ARG B 10 4.441 -9.851 -4.857 1.00 1.77 O ATOM 1038 CB ARG B 10 2.988 -7.360 -6.225 1.00 1.88 C ATOM 1039 CG ARG B 10 3.406 -6.213 -5.321 1.00 2.02 C ATOM 1040 CD ARG B 10 3.981 -5.054 -6.121 1.00 2.74 C ATOM 1041 NE ARG B 10 5.260 -5.392 -6.736 1.00 2.98 N ATOM 1042 CZ ARG B 10 5.857 -4.644 -7.660 1.00 3.73 C ATOM 1043 NH1 ARG B 10 5.295 -3.512 -8.066 1.00 4.23 N ATOM 1044 NH2 ARG B 10 7.017 -5.025 -8.176 1.00 4.33 N ATOM 0 H ARG B 10 1.307 -7.498 -4.124 1.00 1.72 H new ATOM 0 HA ARG B 10 2.282 -9.382 -6.193 1.00 1.51 H new ATOM 0 HB2 ARG B 10 3.836 -7.647 -6.847 1.00 1.88 H new ATOM 0 HB3 ARG B 10 2.202 -7.013 -6.896 1.00 1.88 H new ATOM 0 HG2 ARG B 10 2.546 -5.869 -4.747 1.00 2.02 H new ATOM 0 HG3 ARG B 10 4.148 -6.565 -4.604 1.00 2.02 H new ATOM 0 HD2 ARG B 10 3.272 -4.763 -6.896 1.00 2.74 H new ATOM 0 HD3 ARG B 10 4.110 -4.192 -5.467 1.00 2.74 H new ATOM 0 HE ARG B 10 5.723 -6.251 -6.440 1.00 2.98 H new ATOM 0 HH11 ARG B 10 4.404 -3.214 -7.669 1.00 4.23 H new ATOM 0 HH12 ARG B 10 5.754 -2.940 -8.775 1.00 4.23 H new ATOM 0 HH21 ARG B 10 7.453 -5.893 -7.865 1.00 4.33 H new ATOM 0 HH22 ARG B 10 7.473 -4.450 -8.884 1.00 4.33 H new ATOM 1058 N LYS B 11 3.465 -8.610 -3.249 1.00 1.29 N ATOM 1059 CA LYS B 11 4.410 -8.991 -2.201 1.00 1.35 C ATOM 1060 C LYS B 11 5.844 -9.012 -2.725 1.00 1.21 C ATOM 1061 O LYS B 11 6.472 -10.067 -2.820 1.00 1.55 O ATOM 1062 CB LYS B 11 4.037 -10.355 -1.622 1.00 1.85 C ATOM 1063 CG LYS B 11 4.601 -10.602 -0.234 1.00 2.93 C ATOM 1064 CD LYS B 11 4.042 -9.609 0.773 1.00 3.41 C ATOM 1065 CE LYS B 11 4.484 -9.933 2.191 1.00 4.24 C ATOM 1066 NZ LYS B 11 4.002 -11.272 2.633 1.00 4.49 N ATOM 0 H LYS B 11 2.740 -7.962 -2.940 1.00 1.29 H new ATOM 0 HA LYS B 11 4.354 -8.242 -1.411 1.00 1.35 H new ATOM 0 HB2 LYS B 11 2.951 -10.439 -1.584 1.00 1.85 H new ATOM 0 HB3 LYS B 11 4.394 -11.135 -2.294 1.00 1.85 H new ATOM 0 HG2 LYS B 11 4.363 -11.617 0.082 1.00 2.93 H new ATOM 0 HG3 LYS B 11 5.688 -10.523 -0.261 1.00 2.93 H new ATOM 0 HD2 LYS B 11 4.369 -8.603 0.511 1.00 3.41 H new ATOM 0 HD3 LYS B 11 2.953 -9.613 0.722 1.00 3.41 H new ATOM 0 HE2 LYS B 11 5.572 -9.902 2.248 1.00 4.24 H new ATOM 0 HE3 LYS B 11 4.108 -9.169 2.872 1.00 4.24 H new ATOM 0 HZ1 LYS B 11 3.344 -11.158 3.430 1.00 4.49 H new ATOM 0 HZ2 LYS B 11 3.513 -11.742 1.845 1.00 4.49 H new ATOM 0 HZ3 LYS B 11 4.812 -11.851 2.932 1.00 4.49 H new ATOM 1080 N ALA B 12 6.345 -7.832 -3.064 1.00 0.95 N ATOM 1081 CA ALA B 12 7.700 -7.678 -3.579 1.00 1.15 C ATOM 1082 C ALA B 12 8.730 -8.333 -2.667 1.00 1.48 C ATOM 1083 O ALA B 12 9.827 -8.684 -3.102 1.00 2.05 O ATOM 1084 CB ALA B 12 8.019 -6.203 -3.713 1.00 1.09 C ATOM 0 H ALA B 12 5.826 -6.957 -2.990 1.00 0.95 H new ATOM 0 HA ALA B 12 7.748 -8.171 -4.550 1.00 1.15 H new ATOM 0 HB1 ALA B 12 9.032 -6.083 -4.098 1.00 1.09 H new ATOM 0 HB2 ALA B 12 7.312 -5.739 -4.401 1.00 1.09 H new ATOM 0 HB3 ALA B 12 7.943 -5.724 -2.737 1.00 1.09 H new ATOM 1090 N ASP B 13 8.367 -8.494 -1.403 1.00 1.42 N ATOM 1091 CA ASP B 13 9.263 -9.077 -0.416 1.00 1.79 C ATOM 1092 C ASP B 13 8.812 -10.478 -0.019 1.00 1.88 C ATOM 1093 O ASP B 13 9.452 -11.468 -0.374 1.00 2.28 O ATOM 1094 CB ASP B 13 9.298 -8.172 0.814 1.00 2.20 C ATOM 1095 CG ASP B 13 10.087 -8.769 1.964 1.00 3.02 C ATOM 1096 OD1 ASP B 13 9.501 -9.547 2.746 1.00 3.80 O ATOM 1097 OD2 ASP B 13 11.290 -8.457 2.083 1.00 3.28 O ATOM 0 H ASP B 13 7.453 -8.228 -1.036 1.00 1.42 H new ATOM 0 HA ASP B 13 10.259 -9.160 -0.850 1.00 1.79 H new ATOM 0 HB2 ASP B 13 9.735 -7.212 0.540 1.00 2.20 H new ATOM 0 HB3 ASP B 13 8.278 -7.975 1.143 1.00 2.20 H new ATOM 1102 N SER B 14 7.715 -10.551 0.724 1.00 2.21 N ATOM 1103 CA SER B 14 7.175 -11.828 1.174 1.00 2.81 C ATOM 1104 C SER B 14 8.082 -12.463 2.223 1.00 3.10 C ATOM 1105 O SER B 14 8.985 -13.234 1.835 1.00 3.52 O ATOM 1106 CB SER B 14 6.995 -12.782 -0.009 1.00 3.34 C ATOM 1107 OG SER B 14 6.319 -13.963 0.387 1.00 3.91 O ATOM 1108 OXT SER B 14 7.883 -12.184 3.424 1.00 3.46 O ATOM 0 H SER B 14 7.180 -9.738 1.029 1.00 2.21 H new ATOM 0 HA SER B 14 6.201 -11.640 1.627 1.00 2.81 H new ATOM 0 HB2 SER B 14 6.432 -12.285 -0.799 1.00 3.34 H new ATOM 0 HB3 SER B 14 7.969 -13.039 -0.425 1.00 3.34 H new ATOM 0 HG SER B 14 6.215 -14.555 -0.387 1.00 3.91 H new TER 1114 SER B 14