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+ 172:sc= -1.02 (180deg=-1.21) USER MOD Set 1.2: A 51 TYR OH : rot 136:sc= 1.43 USER MOD Set 1.3: B 9 LYS NZ :NH3+ -179:sc= 0.677 (180deg=0) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -166:sc= -0.031 (180deg=-0.239) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 156:sc= -0.0602 (180deg=-0.316) USER MOD Set 3.1: A 1 GLY N :NH3+ 141:sc= 0.177 (180deg=-0.0572) USER MOD Set 3.2: A 3 GLN : amide:sc= -1.5 K(o=-1.3,f=-3.8) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.446) USER MOD Single : A 25 TYR OH : rot 7:sc= -1.16! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.281 USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -1.39 (180deg=-1.99!) USER MOD Single : A 42 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-4.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 LYS NZ :NH3+ 151:sc= -0.0117 (180deg=-0.529) USER MOD Single : B 14 SER OG : rot 49:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.931 3.565 -6.312 1.00 2.97 N ATOM 2 CA GLY A 1 10.414 3.595 -6.450 1.00 2.83 C ATOM 3 C GLY A 1 11.044 4.802 -5.775 1.00 2.42 C ATOM 4 O GLY A 1 12.049 5.328 -6.250 1.00 2.48 O ATOM 0 H1 GLY A 1 8.506 3.230 -7.200 1.00 2.97 H new ATOM 0 H2 GLY A 1 8.667 2.922 -5.538 1.00 2.97 H new ATOM 0 H3 GLY A 1 8.583 4.522 -6.101 1.00 2.97 H new ATOM 0 HA2 GLY A 1 10.833 2.685 -6.021 1.00 2.83 H new ATOM 0 HA3 GLY A 1 10.676 3.598 -7.508 1.00 2.83 H new ATOM 10 N SER A 2 10.455 5.237 -4.663 1.00 2.16 N ATOM 11 CA SER A 2 10.964 6.391 -3.926 1.00 2.05 C ATOM 12 C SER A 2 10.114 6.669 -2.696 1.00 1.75 C ATOM 13 O SER A 2 10.626 7.097 -1.661 1.00 1.62 O ATOM 14 CB SER A 2 11.007 7.621 -4.828 1.00 2.84 C ATOM 15 OG SER A 2 9.703 8.015 -5.221 1.00 3.15 O ATOM 0 H SER A 2 9.625 4.808 -4.253 1.00 2.16 H new ATOM 0 HA SER A 2 11.977 6.162 -3.595 1.00 2.05 H new ATOM 0 HB2 SER A 2 11.495 8.443 -4.304 1.00 2.84 H new ATOM 0 HB3 SER A 2 11.607 7.406 -5.712 1.00 2.84 H new ATOM 0 HG SER A 2 9.760 8.806 -5.797 1.00 3.15 H new ATOM 21 N GLN A 3 8.816 6.425 -2.809 1.00 1.94 N ATOM 22 CA GLN A 3 7.915 6.628 -1.698 1.00 1.65 C ATOM 23 C GLN A 3 7.850 5.363 -0.857 1.00 1.12 C ATOM 24 O GLN A 3 7.845 4.254 -1.389 1.00 1.83 O ATOM 25 CB GLN A 3 6.528 7.019 -2.216 1.00 2.43 C ATOM 26 CG GLN A 3 5.686 5.849 -2.708 1.00 3.29 C ATOM 27 CD GLN A 3 6.210 5.253 -3.999 1.00 4.00 C ATOM 28 OE1 GLN A 3 7.036 4.341 -3.986 1.00 4.57 O ATOM 29 NE2 GLN A 3 5.728 5.767 -5.125 1.00 4.45 N ATOM 0 H GLN A 3 8.369 6.086 -3.661 1.00 1.94 H new ATOM 0 HA GLN A 3 8.283 7.440 -1.071 1.00 1.65 H new ATOM 0 HB2 GLN A 3 5.987 7.530 -1.420 1.00 2.43 H new ATOM 0 HB3 GLN A 3 6.646 7.733 -3.031 1.00 2.43 H new ATOM 0 HG2 GLN A 3 5.661 5.076 -1.940 1.00 3.29 H new ATOM 0 HG3 GLN A 3 4.659 6.183 -2.857 1.00 3.29 H new ATOM 0 HE21 GLN A 3 5.044 6.523 -5.089 1.00 4.45 H new ATOM 0 HE22 GLN A 3 6.042 5.406 -6.026 1.00 4.45 H new ATOM 38 N VAL A 4 7.799 5.533 0.453 1.00 0.52 N ATOM 39 CA VAL A 4 7.761 4.398 1.356 1.00 1.23 C ATOM 40 C VAL A 4 6.328 3.966 1.606 1.00 1.08 C ATOM 41 O VAL A 4 5.878 3.896 2.749 1.00 1.66 O ATOM 42 CB VAL A 4 8.437 4.711 2.708 1.00 2.03 C ATOM 43 CG1 VAL A 4 8.967 3.436 3.345 1.00 3.08 C ATOM 44 CG2 VAL A 4 9.554 5.734 2.542 1.00 2.57 C ATOM 0 H VAL A 4 7.783 6.443 0.913 1.00 0.52 H new ATOM 0 HA VAL A 4 8.314 3.592 0.874 1.00 1.23 H new ATOM 0 HB VAL A 4 7.685 5.143 3.369 1.00 2.03 H new ATOM 0 HG11 VAL A 4 9.440 3.675 4.297 1.00 3.08 H new ATOM 0 HG12 VAL A 4 8.142 2.743 3.513 1.00 3.08 H new ATOM 0 HG13 VAL A 4 9.699 2.975 2.682 1.00 3.08 H new ATOM 0 HG21 VAL A 4 10.011 5.934 3.511 1.00 2.57 H new ATOM 0 HG22 VAL A 4 10.308 5.342 1.859 1.00 2.57 H new ATOM 0 HG23 VAL A 4 9.143 6.659 2.137 1.00 2.57 H new ATOM 54 N PHE A 5 5.612 3.678 0.522 1.00 0.41 N ATOM 55 CA PHE A 5 4.229 3.235 0.622 1.00 0.40 C ATOM 56 C PHE A 5 3.588 3.102 -0.766 1.00 0.40 C ATOM 57 O PHE A 5 4.162 3.520 -1.771 1.00 0.65 O ATOM 58 CB PHE A 5 3.432 4.224 1.473 1.00 0.52 C ATOM 59 CG PHE A 5 3.658 5.661 1.095 1.00 0.85 C ATOM 60 CD1 PHE A 5 3.083 6.188 -0.051 1.00 1.24 C ATOM 61 CD2 PHE A 5 4.443 6.484 1.886 1.00 1.61 C ATOM 62 CE1 PHE A 5 3.288 7.509 -0.402 1.00 1.82 C ATOM 63 CE2 PHE A 5 4.652 7.807 1.540 1.00 2.16 C ATOM 64 CZ PHE A 5 4.074 8.320 0.395 1.00 1.82 C ATOM 0 H PHE A 5 5.968 3.744 -0.432 1.00 0.41 H new ATOM 0 HA PHE A 5 4.216 2.253 1.095 1.00 0.40 H new ATOM 0 HB2 PHE A 5 2.370 3.996 1.382 1.00 0.52 H new ATOM 0 HB3 PHE A 5 3.699 4.086 2.521 1.00 0.52 H new ATOM 0 HD1 PHE A 5 2.468 5.559 -0.677 1.00 1.24 H new ATOM 0 HD2 PHE A 5 4.897 6.088 2.783 1.00 1.61 H new ATOM 0 HE1 PHE A 5 2.835 7.907 -1.298 1.00 1.82 H new ATOM 0 HE2 PHE A 5 5.267 8.438 2.165 1.00 2.16 H new ATOM 0 HZ PHE A 5 4.236 9.353 0.123 1.00 1.82 H new ATOM 74 N GLU A 6 2.395 2.513 -0.801 1.00 0.26 N ATOM 75 CA GLU A 6 1.645 2.315 -2.034 1.00 0.29 C ATOM 76 C GLU A 6 0.155 2.316 -1.729 1.00 0.27 C ATOM 77 O GLU A 6 -0.262 1.837 -0.676 1.00 0.32 O ATOM 78 CB GLU A 6 2.033 1.001 -2.701 1.00 0.35 C ATOM 79 CG GLU A 6 3.211 1.136 -3.642 1.00 1.04 C ATOM 80 CD GLU A 6 3.593 -0.177 -4.299 1.00 1.84 C ATOM 81 OE1 GLU A 6 2.877 -0.607 -5.227 1.00 2.36 O ATOM 82 OE2 GLU A 6 4.608 -0.774 -3.884 1.00 2.41 O ATOM 0 H GLU A 6 1.921 2.159 0.030 1.00 0.26 H new ATOM 0 HA GLU A 6 1.881 3.130 -2.718 1.00 0.29 H new ATOM 0 HB2 GLU A 6 2.273 0.267 -1.932 1.00 0.35 H new ATOM 0 HB3 GLU A 6 1.177 0.615 -3.254 1.00 0.35 H new ATOM 0 HG2 GLU A 6 2.971 1.867 -4.414 1.00 1.04 H new ATOM 0 HG3 GLU A 6 4.068 1.524 -3.091 1.00 1.04 H new ATOM 89 N TYR A 7 -0.650 2.835 -2.646 1.00 0.26 N ATOM 90 CA TYR A 7 -2.075 2.901 -2.424 1.00 0.26 C ATOM 91 C TYR A 7 -2.812 1.669 -2.931 1.00 0.24 C ATOM 92 O TYR A 7 -2.926 1.443 -4.136 1.00 0.32 O ATOM 93 CB TYR A 7 -2.643 4.158 -3.070 1.00 0.31 C ATOM 94 CG TYR A 7 -2.669 4.108 -4.582 1.00 0.41 C ATOM 95 CD1 TYR A 7 -1.550 4.461 -5.326 1.00 1.40 C ATOM 96 CD2 TYR A 7 -3.813 3.713 -5.263 1.00 1.25 C ATOM 97 CE1 TYR A 7 -1.570 4.420 -6.707 1.00 1.70 C ATOM 98 CE2 TYR A 7 -3.840 3.668 -6.645 1.00 1.45 C ATOM 99 CZ TYR A 7 -2.717 4.023 -7.361 1.00 1.28 C ATOM 100 OH TYR A 7 -2.741 3.980 -8.736 1.00 1.73 O ATOM 0 H TYR A 7 -0.338 3.212 -3.541 1.00 0.26 H new ATOM 0 HA TYR A 7 -2.229 2.936 -1.346 1.00 0.26 H new ATOM 0 HB2 TYR A 7 -3.657 4.317 -2.703 1.00 0.31 H new ATOM 0 HB3 TYR A 7 -2.051 5.017 -2.754 1.00 0.31 H new ATOM 0 HD1 TYR A 7 -0.650 4.772 -4.817 1.00 1.40 H new ATOM 0 HD2 TYR A 7 -4.695 3.437 -4.705 1.00 1.25 H new ATOM 0 HE1 TYR A 7 -0.692 4.697 -7.271 1.00 1.70 H new ATOM 0 HE2 TYR A 7 -4.736 3.356 -7.161 1.00 1.45 H new ATOM 0 HH TYR A 7 -3.623 3.679 -9.039 1.00 1.73 H new ATOM 110 N ALA A 8 -3.310 0.877 -1.986 1.00 0.23 N ATOM 111 CA ALA A 8 -4.077 -0.319 -2.302 1.00 0.26 C ATOM 112 C ALA A 8 -5.557 0.036 -2.324 1.00 0.28 C ATOM 113 O ALA A 8 -6.370 -0.609 -1.664 1.00 0.38 O ATOM 114 CB ALA A 8 -3.809 -1.401 -1.266 1.00 0.35 C ATOM 0 H ALA A 8 -3.193 1.046 -0.987 1.00 0.23 H new ATOM 0 HA ALA A 8 -3.779 -0.699 -3.279 1.00 0.26 H new ATOM 0 HB1 ALA A 8 -4.388 -2.291 -1.512 1.00 0.35 H new ATOM 0 HB2 ALA A 8 -2.747 -1.647 -1.264 1.00 0.35 H new ATOM 0 HB3 ALA A 8 -4.100 -1.040 -0.279 1.00 0.35 H new ATOM 120 N GLU A 9 -5.899 1.067 -3.091 1.00 0.25 N ATOM 121 CA GLU A 9 -7.261 1.548 -3.162 1.00 0.32 C ATOM 122 C GLU A 9 -7.881 1.380 -4.526 1.00 0.33 C ATOM 123 O GLU A 9 -7.203 1.260 -5.546 1.00 0.44 O ATOM 124 CB GLU A 9 -7.257 3.009 -2.693 1.00 0.41 C ATOM 125 CG GLU A 9 -8.028 4.009 -3.545 1.00 0.36 C ATOM 126 CD GLU A 9 -7.410 4.223 -4.915 1.00 2.29 C ATOM 127 OE1 GLU A 9 -6.397 4.947 -5.003 1.00 2.65 O ATOM 128 OE2 GLU A 9 -7.940 3.669 -5.901 1.00 2.80 O ATOM 0 H GLU A 9 -5.241 1.584 -3.674 1.00 0.25 H new ATOM 0 HA GLU A 9 -7.893 0.945 -2.510 1.00 0.32 H new ATOM 0 HB2 GLU A 9 -7.662 3.042 -1.682 1.00 0.41 H new ATOM 0 HB3 GLU A 9 -6.221 3.343 -2.632 1.00 0.41 H new ATOM 0 HG2 GLU A 9 -9.054 3.660 -3.666 1.00 0.36 H new ATOM 0 HG3 GLU A 9 -8.076 4.964 -3.021 1.00 0.36 H new ATOM 135 N VAL A 10 -9.200 1.381 -4.501 1.00 0.24 N ATOM 136 CA VAL A 10 -9.982 1.241 -5.692 1.00 0.27 C ATOM 137 C VAL A 10 -10.364 2.606 -6.245 1.00 0.27 C ATOM 138 O VAL A 10 -10.420 2.804 -7.459 1.00 0.35 O ATOM 139 CB VAL A 10 -11.213 0.382 -5.425 1.00 0.31 C ATOM 140 CG1 VAL A 10 -12.021 0.195 -6.700 1.00 0.42 C ATOM 141 CG2 VAL A 10 -10.781 -0.959 -4.846 1.00 0.31 C ATOM 0 H VAL A 10 -9.751 1.480 -3.648 1.00 0.24 H new ATOM 0 HA VAL A 10 -9.381 0.735 -6.447 1.00 0.27 H new ATOM 0 HB VAL A 10 -11.853 0.885 -4.701 1.00 0.31 H new ATOM 0 HG11 VAL A 10 -12.896 -0.421 -6.490 1.00 0.42 H new ATOM 0 HG12 VAL A 10 -12.343 1.167 -7.073 1.00 0.42 H new ATOM 0 HG13 VAL A 10 -11.404 -0.296 -7.453 1.00 0.42 H new ATOM 0 HG21 VAL A 10 -11.661 -1.573 -4.655 1.00 0.31 H new ATOM 0 HG22 VAL A 10 -10.130 -1.469 -5.556 1.00 0.31 H new ATOM 0 HG23 VAL A 10 -10.243 -0.796 -3.912 1.00 0.31 H new ATOM 151 N ASP A 11 -10.632 3.544 -5.344 1.00 0.23 N ATOM 152 CA ASP A 11 -10.960 4.908 -5.740 1.00 0.26 C ATOM 153 C ASP A 11 -10.320 5.951 -4.818 1.00 0.24 C ATOM 154 O ASP A 11 -9.863 6.995 -5.285 1.00 0.28 O ATOM 155 CB ASP A 11 -12.472 5.118 -5.746 1.00 0.31 C ATOM 156 CG ASP A 11 -12.863 6.472 -6.307 1.00 1.76 C ATOM 157 OD1 ASP A 11 -12.414 6.805 -7.423 1.00 2.09 O ATOM 158 OD2 ASP A 11 -13.618 7.199 -5.628 1.00 2.19 O ATOM 0 H ASP A 11 -10.629 3.385 -4.336 1.00 0.23 H new ATOM 0 HA ASP A 11 -10.558 5.044 -6.744 1.00 0.26 H new ATOM 0 HB2 ASP A 11 -12.943 4.333 -6.337 1.00 0.31 H new ATOM 0 HB3 ASP A 11 -12.854 5.025 -4.729 1.00 0.31 H new ATOM 163 N GLU A 12 -10.284 5.674 -3.513 1.00 0.21 N ATOM 164 CA GLU A 12 -9.749 6.652 -2.553 1.00 0.23 C ATOM 165 C GLU A 12 -9.240 6.007 -1.265 1.00 0.23 C ATOM 166 O GLU A 12 -9.712 4.953 -0.869 1.00 0.29 O ATOM 167 CB GLU A 12 -10.820 7.684 -2.214 1.00 0.26 C ATOM 168 CG GLU A 12 -11.191 8.582 -3.382 1.00 0.31 C ATOM 169 CD GLU A 12 -12.121 9.710 -2.978 1.00 1.19 C ATOM 170 OE1 GLU A 12 -13.350 9.490 -2.968 1.00 2.18 O ATOM 171 OE2 GLU A 12 -11.619 10.813 -2.674 1.00 1.09 O ATOM 0 H GLU A 12 -10.611 4.801 -3.099 1.00 0.21 H new ATOM 0 HA GLU A 12 -8.896 7.130 -3.034 1.00 0.23 H new ATOM 0 HB2 GLU A 12 -11.714 7.167 -1.866 1.00 0.26 H new ATOM 0 HB3 GLU A 12 -10.468 8.303 -1.388 1.00 0.26 H new ATOM 0 HG2 GLU A 12 -10.283 9.002 -3.815 1.00 0.31 H new ATOM 0 HG3 GLU A 12 -11.668 7.984 -4.159 1.00 0.31 H new ATOM 178 N ILE A 13 -8.304 6.675 -0.595 1.00 0.22 N ATOM 179 CA ILE A 13 -7.737 6.161 0.653 1.00 0.22 C ATOM 180 C ILE A 13 -7.814 7.220 1.757 1.00 0.27 C ATOM 181 O ILE A 13 -8.489 8.240 1.607 1.00 0.34 O ATOM 182 CB ILE A 13 -6.260 5.715 0.461 1.00 0.20 C ATOM 183 CG1 ILE A 13 -5.328 6.929 0.344 1.00 0.28 C ATOM 184 CG2 ILE A 13 -6.139 4.868 -0.787 1.00 0.20 C ATOM 185 CD1 ILE A 13 -5.556 7.737 -0.914 1.00 0.34 C ATOM 0 H ILE A 13 -7.921 7.572 -0.893 1.00 0.22 H new ATOM 0 HA ILE A 13 -8.326 5.292 0.946 1.00 0.22 H new ATOM 0 HB ILE A 13 -5.965 5.133 1.334 1.00 0.20 H new ATOM 0 HG12 ILE A 13 -5.470 7.573 1.212 1.00 0.28 H new ATOM 0 HG13 ILE A 13 -4.293 6.588 0.366 1.00 0.28 H new ATOM 0 HG21 ILE A 13 -5.102 4.558 -0.917 1.00 0.20 H new ATOM 0 HG22 ILE A 13 -6.772 3.986 -0.691 1.00 0.20 H new ATOM 0 HG23 ILE A 13 -6.455 5.449 -1.653 1.00 0.20 H new ATOM 0 HD11 ILE A 13 -4.865 8.580 -0.935 1.00 0.34 H new ATOM 0 HD12 ILE A 13 -5.386 7.107 -1.787 1.00 0.34 H new ATOM 0 HD13 ILE A 13 -6.581 8.107 -0.928 1.00 0.34 H new ATOM 197 N VAL A 14 -7.119 6.967 2.862 1.00 0.25 N ATOM 198 CA VAL A 14 -7.086 7.900 3.983 1.00 0.30 C ATOM 199 C VAL A 14 -5.762 7.780 4.729 1.00 0.27 C ATOM 200 O VAL A 14 -5.019 8.753 4.858 1.00 0.30 O ATOM 201 CB VAL A 14 -8.262 7.669 4.959 1.00 0.35 C ATOM 202 CG1 VAL A 14 -8.133 8.554 6.192 1.00 0.61 C ATOM 203 CG2 VAL A 14 -9.586 7.930 4.258 1.00 0.67 C ATOM 0 H VAL A 14 -6.569 6.120 3.005 1.00 0.25 H new ATOM 0 HA VAL A 14 -7.185 8.906 3.575 1.00 0.30 H new ATOM 0 HB VAL A 14 -8.233 6.629 5.285 1.00 0.35 H new ATOM 0 HG11 VAL A 14 -8.974 8.371 6.861 1.00 0.61 H new ATOM 0 HG12 VAL A 14 -7.201 8.324 6.709 1.00 0.61 H new ATOM 0 HG13 VAL A 14 -8.132 9.601 5.890 1.00 0.61 H new ATOM 0 HG21 VAL A 14 -10.406 7.764 4.956 1.00 0.67 H new ATOM 0 HG22 VAL A 14 -9.614 8.961 3.904 1.00 0.67 H new ATOM 0 HG23 VAL A 14 -9.688 7.253 3.410 1.00 0.67 H new ATOM 213 N GLU A 15 -5.478 6.580 5.218 1.00 0.28 N ATOM 214 CA GLU A 15 -4.233 6.324 5.936 1.00 0.27 C ATOM 215 C GLU A 15 -3.185 5.784 4.970 1.00 0.26 C ATOM 216 O GLU A 15 -3.483 4.924 4.153 1.00 0.48 O ATOM 217 CB GLU A 15 -4.464 5.327 7.074 1.00 0.32 C ATOM 218 CG GLU A 15 -3.220 5.058 7.905 1.00 1.30 C ATOM 219 CD GLU A 15 -2.638 6.322 8.509 1.00 1.98 C ATOM 220 OE1 GLU A 15 -3.122 6.746 9.579 1.00 2.07 O ATOM 221 OE2 GLU A 15 -1.699 6.888 7.911 1.00 2.96 O ATOM 0 H GLU A 15 -6.091 5.769 5.132 1.00 0.28 H new ATOM 0 HA GLU A 15 -3.877 7.260 6.367 1.00 0.27 H new ATOM 0 HB2 GLU A 15 -5.251 5.707 7.725 1.00 0.32 H new ATOM 0 HB3 GLU A 15 -4.822 4.386 6.656 1.00 0.32 H new ATOM 0 HG2 GLU A 15 -3.465 4.358 8.703 1.00 1.30 H new ATOM 0 HG3 GLU A 15 -2.467 4.578 7.280 1.00 1.30 H new ATOM 228 N LYS A 16 -1.963 6.295 5.050 1.00 0.20 N ATOM 229 CA LYS A 16 -0.905 5.846 4.147 1.00 0.23 C ATOM 230 C LYS A 16 0.484 5.964 4.789 1.00 0.25 C ATOM 231 O LYS A 16 1.131 7.004 4.672 1.00 0.35 O ATOM 232 CB LYS A 16 -0.937 6.692 2.876 1.00 0.32 C ATOM 233 CG LYS A 16 -1.031 8.185 3.151 1.00 0.41 C ATOM 234 CD LYS A 16 -1.011 8.998 1.868 1.00 0.50 C ATOM 235 CE LYS A 16 -2.288 8.810 1.065 1.00 1.43 C ATOM 236 NZ LYS A 16 -2.317 9.683 -0.141 1.00 2.13 N ATOM 0 H LYS A 16 -1.680 7.010 5.720 1.00 0.20 H new ATOM 0 HA LYS A 16 -1.084 4.795 3.919 1.00 0.23 H new ATOM 0 HB2 LYS A 16 -0.038 6.493 2.292 1.00 0.32 H new ATOM 0 HB3 LYS A 16 -1.787 6.387 2.266 1.00 0.32 H new ATOM 0 HG2 LYS A 16 -1.948 8.396 3.701 1.00 0.41 H new ATOM 0 HG3 LYS A 16 -0.200 8.490 3.788 1.00 0.41 H new ATOM 0 HD2 LYS A 16 -0.884 10.054 2.108 1.00 0.50 H new ATOM 0 HD3 LYS A 16 -0.154 8.703 1.263 1.00 0.50 H new ATOM 0 HE2 LYS A 16 -2.376 7.767 0.761 1.00 1.43 H new ATOM 0 HE3 LYS A 16 -3.149 9.032 1.695 1.00 1.43 H new ATOM 0 HZ1 LYS A 16 -3.297 9.969 -0.339 1.00 2.13 H new ATOM 0 HZ2 LYS A 16 -1.737 10.529 0.029 1.00 2.13 H new ATOM 0 HZ3 LYS A 16 -1.938 9.161 -0.957 1.00 2.13 H new ATOM 250 N ARG A 17 0.948 4.913 5.462 1.00 0.22 N ATOM 251 CA ARG A 17 2.262 4.953 6.103 1.00 0.31 C ATOM 252 C ARG A 17 2.863 3.557 6.233 1.00 0.30 C ATOM 253 O ARG A 17 2.608 2.862 7.215 1.00 0.33 O ATOM 254 CB ARG A 17 2.149 5.610 7.478 1.00 0.41 C ATOM 255 CG ARG A 17 1.180 4.909 8.415 1.00 1.20 C ATOM 256 CD ARG A 17 0.811 5.795 9.594 1.00 1.68 C ATOM 257 NE ARG A 17 1.972 6.128 10.414 1.00 2.30 N ATOM 258 CZ ARG A 17 2.008 7.156 11.256 1.00 3.07 C ATOM 259 NH1 ARG A 17 0.956 7.955 11.376 1.00 3.46 N ATOM 260 NH2 ARG A 17 3.096 7.388 11.978 1.00 3.83 N ATOM 0 H ARG A 17 0.443 4.035 5.577 1.00 0.22 H new ATOM 0 HA ARG A 17 2.928 5.543 5.473 1.00 0.31 H new ATOM 0 HB2 ARG A 17 3.135 5.633 7.941 1.00 0.41 H new ATOM 0 HB3 ARG A 17 1.832 6.645 7.351 1.00 0.41 H new ATOM 0 HG2 ARG A 17 0.278 4.633 7.869 1.00 1.20 H new ATOM 0 HG3 ARG A 17 1.628 3.984 8.779 1.00 1.20 H new ATOM 0 HD2 ARG A 17 0.351 6.713 9.228 1.00 1.68 H new ATOM 0 HD3 ARG A 17 0.067 5.289 10.209 1.00 1.68 H new ATOM 0 HE ARG A 17 2.801 5.539 10.337 1.00 2.30 H new ATOM 0 HH11 ARG A 17 0.118 7.781 10.822 1.00 3.46 H new ATOM 0 HH12 ARG A 17 0.985 8.743 12.023 1.00 3.46 H new ATOM 0 HH21 ARG A 17 3.908 6.777 11.888 1.00 3.83 H new ATOM 0 HH22 ARG A 17 3.121 8.177 12.623 1.00 3.83 H new ATOM 274 N GLY A 18 3.660 3.137 5.253 1.00 0.29 N ATOM 275 CA GLY A 18 4.238 1.812 5.334 1.00 0.28 C ATOM 276 C GLY A 18 5.554 1.647 4.609 1.00 0.32 C ATOM 277 O GLY A 18 6.454 2.480 4.714 1.00 0.41 O ATOM 0 H GLY A 18 3.910 3.677 4.425 1.00 0.29 H new ATOM 0 HA2 GLY A 18 4.384 1.559 6.384 1.00 0.28 H new ATOM 0 HA3 GLY A 18 3.524 1.095 4.929 1.00 0.28 H new ATOM 281 N LYS A 19 5.643 0.545 3.868 1.00 0.30 N ATOM 282 CA LYS A 19 6.825 0.188 3.112 1.00 0.36 C ATOM 283 C LYS A 19 6.538 0.307 1.612 1.00 0.45 C ATOM 284 O LYS A 19 6.178 1.369 1.143 1.00 0.76 O ATOM 285 CB LYS A 19 7.199 -1.229 3.501 1.00 0.29 C ATOM 286 CG LYS A 19 7.672 -1.358 4.930 1.00 0.37 C ATOM 287 CD LYS A 19 8.078 -2.781 5.211 1.00 0.33 C ATOM 288 CE LYS A 19 8.602 -2.946 6.629 1.00 0.51 C ATOM 289 NZ LYS A 19 9.820 -2.124 6.872 1.00 1.13 N ATOM 0 H LYS A 19 4.883 -0.129 3.779 1.00 0.30 H new ATOM 0 HA LYS A 19 7.656 0.858 3.332 1.00 0.36 H new ATOM 0 HB2 LYS A 19 6.336 -1.878 3.353 1.00 0.29 H new ATOM 0 HB3 LYS A 19 7.984 -1.585 2.834 1.00 0.29 H new ATOM 0 HG2 LYS A 19 8.515 -0.689 5.105 1.00 0.37 H new ATOM 0 HG3 LYS A 19 6.878 -1.056 5.613 1.00 0.37 H new ATOM 0 HD2 LYS A 19 7.223 -3.440 5.060 1.00 0.33 H new ATOM 0 HD3 LYS A 19 8.846 -3.087 4.501 1.00 0.33 H new ATOM 0 HE2 LYS A 19 7.825 -2.661 7.338 1.00 0.51 H new ATOM 0 HE3 LYS A 19 8.831 -3.996 6.811 1.00 0.51 H new ATOM 0 HZ1 LYS A 19 10.280 -2.436 7.751 1.00 1.13 H new ATOM 0 HZ2 LYS A 19 10.480 -2.238 6.077 1.00 1.13 H new ATOM 0 HZ3 LYS A 19 9.552 -1.123 6.958 1.00 1.13 H new ATOM 303 N GLY A 20 6.703 -0.766 0.852 1.00 0.47 N ATOM 304 CA GLY A 20 6.390 -0.719 -0.548 1.00 0.51 C ATOM 305 C GLY A 20 4.979 -1.182 -0.722 1.00 0.42 C ATOM 306 O GLY A 20 4.199 -0.634 -1.497 1.00 0.48 O ATOM 0 H GLY A 20 7.049 -1.665 1.187 1.00 0.47 H new ATOM 0 HA2 GLY A 20 6.508 0.295 -0.931 1.00 0.51 H new ATOM 0 HA3 GLY A 20 7.072 -1.355 -1.112 1.00 0.51 H new ATOM 310 N LYS A 21 4.679 -2.223 0.032 1.00 0.33 N ATOM 311 CA LYS A 21 3.360 -2.814 0.072 1.00 0.33 C ATOM 312 C LYS A 21 2.952 -3.134 1.522 1.00 0.27 C ATOM 313 O LYS A 21 1.861 -3.642 1.758 1.00 0.32 O ATOM 314 CB LYS A 21 3.321 -4.086 -0.775 1.00 0.46 C ATOM 315 CG LYS A 21 3.220 -3.833 -2.271 1.00 0.88 C ATOM 316 CD LYS A 21 4.592 -3.685 -2.907 1.00 1.58 C ATOM 317 CE LYS A 21 4.498 -3.654 -4.423 1.00 2.52 C ATOM 318 NZ LYS A 21 5.841 -3.679 -5.065 1.00 3.41 N ATOM 0 H LYS A 21 5.355 -2.686 0.640 1.00 0.33 H new ATOM 0 HA LYS A 21 2.651 -2.095 -0.338 1.00 0.33 H new ATOM 0 HB2 LYS A 21 4.220 -4.670 -0.576 1.00 0.46 H new ATOM 0 HB3 LYS A 21 2.471 -4.692 -0.462 1.00 0.46 H new ATOM 0 HG2 LYS A 21 2.686 -4.657 -2.745 1.00 0.88 H new ATOM 0 HG3 LYS A 21 2.636 -2.930 -2.449 1.00 0.88 H new ATOM 0 HD2 LYS A 21 5.063 -2.769 -2.551 1.00 1.58 H new ATOM 0 HD3 LYS A 21 5.230 -4.513 -2.597 1.00 1.58 H new ATOM 0 HE2 LYS A 21 3.915 -4.508 -4.768 1.00 2.52 H new ATOM 0 HE3 LYS A 21 3.964 -2.757 -4.735 1.00 2.52 H new ATOM 0 HZ1 LYS A 21 5.732 -3.793 -6.093 1.00 3.41 H new ATOM 0 HZ2 LYS A 21 6.337 -2.787 -4.866 1.00 3.41 H new ATOM 0 HZ3 LYS A 21 6.393 -4.474 -4.685 1.00 3.41 H new ATOM 332 N ASP A 22 3.809 -2.787 2.501 1.00 0.21 N ATOM 333 CA ASP A 22 3.529 -3.057 3.906 1.00 0.23 C ATOM 334 C ASP A 22 2.735 -1.931 4.542 1.00 0.21 C ATOM 335 O ASP A 22 2.573 -1.873 5.759 1.00 0.26 O ATOM 336 CB ASP A 22 4.826 -3.234 4.694 1.00 0.26 C ATOM 337 CG ASP A 22 4.605 -3.929 6.022 1.00 0.34 C ATOM 338 OD1 ASP A 22 3.435 -4.050 6.434 1.00 0.94 O ATOM 339 OD2 ASP A 22 5.599 -4.340 6.656 1.00 1.22 O ATOM 0 H ASP A 22 4.700 -2.319 2.334 1.00 0.21 H new ATOM 0 HA ASP A 22 2.943 -3.975 3.939 1.00 0.23 H new ATOM 0 HB2 ASP A 22 5.534 -3.811 4.099 1.00 0.26 H new ATOM 0 HB3 ASP A 22 5.278 -2.258 4.869 1.00 0.26 H new ATOM 344 N VAL A 23 2.263 -1.040 3.709 1.00 0.17 N ATOM 345 CA VAL A 23 1.497 0.096 4.138 1.00 0.18 C ATOM 346 C VAL A 23 0.007 -0.196 4.146 1.00 0.16 C ATOM 347 O VAL A 23 -0.484 -1.026 3.381 1.00 0.18 O ATOM 348 CB VAL A 23 1.771 1.247 3.183 1.00 0.20 C ATOM 349 CG1 VAL A 23 1.310 0.858 1.787 1.00 0.34 C ATOM 350 CG2 VAL A 23 1.094 2.512 3.669 1.00 0.23 C ATOM 0 H VAL A 23 2.403 -1.086 2.700 1.00 0.17 H new ATOM 0 HA VAL A 23 1.793 0.346 5.157 1.00 0.18 H new ATOM 0 HB VAL A 23 2.841 1.451 3.147 1.00 0.20 H new ATOM 0 HG11 VAL A 23 1.504 1.680 1.098 1.00 0.34 H new ATOM 0 HG12 VAL A 23 1.854 -0.028 1.458 1.00 0.34 H new ATOM 0 HG13 VAL A 23 0.242 0.643 1.803 1.00 0.34 H new ATOM 0 HG21 VAL A 23 1.301 3.325 2.974 1.00 0.23 H new ATOM 0 HG22 VAL A 23 0.018 2.349 3.728 1.00 0.23 H new ATOM 0 HG23 VAL A 23 1.476 2.773 4.656 1.00 0.23 H new ATOM 360 N GLU A 24 -0.709 0.524 4.988 1.00 0.18 N ATOM 361 CA GLU A 24 -2.146 0.353 5.097 1.00 0.22 C ATOM 362 C GLU A 24 -2.866 1.526 4.444 1.00 0.24 C ATOM 363 O GLU A 24 -2.740 2.668 4.887 1.00 0.48 O ATOM 364 CB GLU A 24 -2.571 0.236 6.559 1.00 0.34 C ATOM 365 CG GLU A 24 -1.966 1.303 7.457 1.00 0.45 C ATOM 366 CD GLU A 24 -2.457 1.211 8.889 1.00 0.86 C ATOM 367 OE1 GLU A 24 -1.863 0.440 9.671 1.00 1.26 O ATOM 368 OE2 GLU A 24 -3.436 1.909 9.228 1.00 1.22 O ATOM 0 H GLU A 24 -0.319 1.234 5.608 1.00 0.18 H new ATOM 0 HA GLU A 24 -2.418 -0.568 4.582 1.00 0.22 H new ATOM 0 HB2 GLU A 24 -3.658 0.297 6.619 1.00 0.34 H new ATOM 0 HB3 GLU A 24 -2.286 -0.747 6.934 1.00 0.34 H new ATOM 0 HG2 GLU A 24 -0.880 1.211 7.443 1.00 0.45 H new ATOM 0 HG3 GLU A 24 -2.207 2.288 7.057 1.00 0.45 H new ATOM 375 N TYR A 25 -3.619 1.241 3.394 1.00 0.18 N ATOM 376 CA TYR A 25 -4.354 2.266 2.680 1.00 0.22 C ATOM 377 C TYR A 25 -5.844 1.978 2.725 1.00 0.30 C ATOM 378 O TYR A 25 -6.262 0.826 2.721 1.00 0.65 O ATOM 379 CB TYR A 25 -3.895 2.337 1.226 1.00 0.23 C ATOM 380 CG TYR A 25 -2.737 3.279 0.992 1.00 0.21 C ATOM 381 CD1 TYR A 25 -1.460 2.958 1.420 1.00 0.34 C ATOM 382 CD2 TYR A 25 -2.922 4.483 0.327 1.00 0.27 C ATOM 383 CE1 TYR A 25 -0.401 3.812 1.192 1.00 0.38 C ATOM 384 CE2 TYR A 25 -1.868 5.340 0.091 1.00 0.25 C ATOM 385 CZ TYR A 25 -0.608 4.999 0.525 1.00 0.25 C ATOM 386 OH TYR A 25 0.448 5.849 0.290 1.00 0.30 O ATOM 0 H TYR A 25 -3.736 0.300 3.017 1.00 0.18 H new ATOM 0 HA TYR A 25 -4.159 3.223 3.164 1.00 0.22 H new ATOM 0 HB2 TYR A 25 -3.609 1.338 0.897 1.00 0.23 H new ATOM 0 HB3 TYR A 25 -4.735 2.649 0.605 1.00 0.23 H new ATOM 0 HD1 TYR A 25 -1.291 2.026 1.939 1.00 0.34 H new ATOM 0 HD2 TYR A 25 -3.911 4.754 -0.012 1.00 0.27 H new ATOM 0 HE1 TYR A 25 0.589 3.550 1.536 1.00 0.38 H new ATOM 0 HE2 TYR A 25 -2.030 6.272 -0.431 1.00 0.25 H new ATOM 0 HH TYR A 25 1.285 5.412 0.554 1.00 0.30 H new ATOM 396 N LEU A 26 -6.640 3.030 2.743 1.00 0.19 N ATOM 397 CA LEU A 26 -8.079 2.893 2.774 1.00 0.19 C ATOM 398 C LEU A 26 -8.585 2.811 1.353 1.00 0.17 C ATOM 399 O LEU A 26 -7.908 3.258 0.432 1.00 0.17 O ATOM 400 CB LEU A 26 -8.715 4.083 3.495 1.00 0.20 C ATOM 401 CG LEU A 26 -10.223 4.220 3.289 1.00 0.29 C ATOM 402 CD1 LEU A 26 -10.887 4.811 4.521 1.00 0.88 C ATOM 403 CD2 LEU A 26 -10.521 5.060 2.057 1.00 0.96 C ATOM 0 H LEU A 26 -6.309 3.995 2.737 1.00 0.19 H new ATOM 0 HA LEU A 26 -8.350 1.988 3.317 1.00 0.19 H new ATOM 0 HB2 LEU A 26 -8.514 3.994 4.563 1.00 0.20 H new ATOM 0 HB3 LEU A 26 -8.230 4.998 3.155 1.00 0.20 H new ATOM 0 HG LEU A 26 -10.637 3.224 3.131 1.00 0.29 H new ATOM 0 HD11 LEU A 26 -11.960 4.898 4.349 1.00 0.88 H new ATOM 0 HD12 LEU A 26 -10.708 4.161 5.378 1.00 0.88 H new ATOM 0 HD13 LEU A 26 -10.470 5.798 4.721 1.00 0.88 H new ATOM 0 HD21 LEU A 26 -11.600 5.146 1.927 1.00 0.96 H new ATOM 0 HD22 LEU A 26 -10.090 6.054 2.181 1.00 0.96 H new ATOM 0 HD23 LEU A 26 -10.087 4.584 1.178 1.00 0.96 H new ATOM 415 N VAL A 27 -9.752 2.231 1.152 1.00 0.18 N ATOM 416 CA VAL A 27 -10.266 2.127 -0.197 1.00 0.18 C ATOM 417 C VAL A 27 -11.765 2.352 -0.299 1.00 0.18 C ATOM 418 O VAL A 27 -12.569 1.575 0.212 1.00 0.22 O ATOM 419 CB VAL A 27 -9.845 0.795 -0.892 1.00 0.24 C ATOM 420 CG1 VAL A 27 -8.882 -0.017 -0.038 1.00 0.40 C ATOM 421 CG2 VAL A 27 -11.023 -0.078 -1.338 1.00 0.36 C ATOM 0 H VAL A 27 -10.346 1.836 1.881 1.00 0.18 H new ATOM 0 HA VAL A 27 -9.798 2.948 -0.740 1.00 0.18 H new ATOM 0 HB VAL A 27 -9.331 1.111 -1.799 1.00 0.24 H new ATOM 0 HG11 VAL A 27 -8.617 -0.935 -0.562 1.00 0.40 H new ATOM 0 HG12 VAL A 27 -7.981 0.567 0.150 1.00 0.40 H new ATOM 0 HG13 VAL A 27 -9.358 -0.265 0.911 1.00 0.40 H new ATOM 0 HG21 VAL A 27 -10.645 -0.984 -1.811 1.00 0.36 H new ATOM 0 HG22 VAL A 27 -11.626 -0.346 -0.471 1.00 0.36 H new ATOM 0 HG23 VAL A 27 -11.636 0.475 -2.050 1.00 0.36 H new ATOM 431 N ARG A 28 -12.124 3.441 -0.954 1.00 0.16 N ATOM 432 CA ARG A 28 -13.512 3.724 -1.221 1.00 0.18 C ATOM 433 C ARG A 28 -13.834 3.003 -2.494 1.00 0.16 C ATOM 434 O ARG A 28 -13.934 3.608 -3.560 1.00 0.20 O ATOM 435 CB ARG A 28 -13.768 5.214 -1.381 1.00 0.21 C ATOM 436 CG ARG A 28 -15.231 5.597 -1.220 1.00 1.14 C ATOM 437 CD ARG A 28 -15.445 7.089 -1.413 1.00 1.22 C ATOM 438 NE ARG A 28 -16.851 7.459 -1.271 1.00 1.99 N ATOM 439 CZ ARG A 28 -17.333 8.651 -1.603 1.00 2.29 C ATOM 440 NH1 ARG A 28 -16.527 9.580 -2.100 1.00 2.04 N ATOM 441 NH2 ARG A 28 -18.622 8.916 -1.440 1.00 3.27 N ATOM 0 H ARG A 28 -11.471 4.140 -1.308 1.00 0.16 H new ATOM 0 HA ARG A 28 -14.137 3.398 -0.390 1.00 0.18 H new ATOM 0 HB2 ARG A 28 -13.175 5.758 -0.646 1.00 0.21 H new ATOM 0 HB3 ARG A 28 -13.424 5.530 -2.366 1.00 0.21 H new ATOM 0 HG2 ARG A 28 -15.833 5.046 -1.943 1.00 1.14 H new ATOM 0 HG3 ARG A 28 -15.577 5.305 -0.228 1.00 1.14 H new ATOM 0 HD2 ARG A 28 -14.849 7.639 -0.684 1.00 1.22 H new ATOM 0 HD3 ARG A 28 -15.090 7.382 -2.401 1.00 1.22 H new ATOM 0 HE ARG A 28 -17.497 6.764 -0.897 1.00 1.99 H new ATOM 0 HH11 ARG A 28 -15.535 9.379 -2.228 1.00 2.04 H new ATOM 0 HH12 ARG A 28 -16.899 10.495 -2.354 1.00 2.04 H new ATOM 0 HH21 ARG A 28 -19.245 8.204 -1.059 1.00 3.27 H new ATOM 0 HH22 ARG A 28 -18.991 9.832 -1.695 1.00 3.27 H new ATOM 455 N TRP A 29 -13.985 1.692 -2.349 1.00 0.19 N ATOM 456 CA TRP A 29 -14.251 0.781 -3.451 1.00 0.25 C ATOM 457 C TRP A 29 -14.949 1.465 -4.607 1.00 0.25 C ATOM 458 O TRP A 29 -16.168 1.578 -4.630 1.00 0.30 O ATOM 459 CB TRP A 29 -15.108 -0.365 -2.940 1.00 0.34 C ATOM 460 CG TRP A 29 -14.874 -1.657 -3.661 1.00 0.44 C ATOM 461 CD1 TRP A 29 -14.029 -1.867 -4.712 1.00 0.61 C ATOM 462 CD2 TRP A 29 -15.496 -2.918 -3.387 1.00 0.67 C ATOM 463 NE1 TRP A 29 -14.086 -3.180 -5.107 1.00 0.93 N ATOM 464 CE2 TRP A 29 -14.980 -3.846 -4.311 1.00 0.98 C ATOM 465 CE3 TRP A 29 -16.438 -3.352 -2.452 1.00 0.71 C ATOM 466 CZ2 TRP A 29 -15.375 -5.182 -4.324 1.00 1.30 C ATOM 467 CZ3 TRP A 29 -16.830 -4.678 -2.466 1.00 1.02 C ATOM 468 CH2 TRP A 29 -16.298 -5.579 -3.397 1.00 1.31 C ATOM 0 H TRP A 29 -13.924 1.225 -1.444 1.00 0.19 H new ATOM 0 HA TRP A 29 -13.296 0.413 -3.826 1.00 0.25 H new ATOM 0 HB2 TRP A 29 -14.910 -0.510 -1.878 1.00 0.34 H new ATOM 0 HB3 TRP A 29 -16.159 -0.092 -3.034 1.00 0.34 H new ATOM 0 HD1 TRP A 29 -13.406 -1.110 -5.166 1.00 0.61 H new ATOM 0 HE1 TRP A 29 -13.550 -3.593 -5.870 1.00 0.93 H new ATOM 0 HE3 TRP A 29 -16.853 -2.664 -1.730 1.00 0.71 H new ATOM 0 HZ2 TRP A 29 -14.967 -5.879 -5.041 1.00 1.30 H new ATOM 0 HZ3 TRP A 29 -17.558 -5.024 -1.747 1.00 1.02 H new ATOM 0 HH2 TRP A 29 -16.624 -6.609 -3.382 1.00 1.31 H new ATOM 479 N LYS A 30 -14.130 1.989 -5.523 1.00 0.25 N ATOM 480 CA LYS A 30 -14.629 2.664 -6.741 1.00 0.30 C ATOM 481 C LYS A 30 -15.985 2.108 -7.196 1.00 0.36 C ATOM 482 O LYS A 30 -16.829 2.846 -7.701 1.00 0.42 O ATOM 483 CB LYS A 30 -13.619 2.512 -7.882 1.00 0.35 C ATOM 484 CG LYS A 30 -14.024 3.245 -9.152 1.00 0.69 C ATOM 485 CD LYS A 30 -14.214 4.732 -8.904 1.00 1.11 C ATOM 486 CE LYS A 30 -14.610 5.460 -10.177 1.00 1.70 C ATOM 487 NZ LYS A 30 -14.806 6.917 -9.946 1.00 2.46 N ATOM 0 H LYS A 30 -13.113 1.962 -5.450 1.00 0.25 H new ATOM 0 HA LYS A 30 -14.759 3.717 -6.491 1.00 0.30 H new ATOM 0 HB2 LYS A 30 -12.650 2.884 -7.551 1.00 0.35 H new ATOM 0 HB3 LYS A 30 -13.494 1.453 -8.107 1.00 0.35 H new ATOM 0 HG2 LYS A 30 -13.261 3.098 -9.917 1.00 0.69 H new ATOM 0 HG3 LYS A 30 -14.950 2.819 -9.539 1.00 0.69 H new ATOM 0 HD2 LYS A 30 -14.981 4.881 -8.144 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -13.291 5.158 -8.512 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -13.839 5.313 -10.934 1.00 1.70 H new ATOM 0 HE3 LYS A 30 -15.530 5.028 -10.571 1.00 1.70 H new ATOM 0 HZ1 LYS A 30 -15.075 7.377 -10.839 1.00 2.46 H new ATOM 0 HZ2 LYS A 30 -15.559 7.059 -9.243 1.00 2.46 H new ATOM 0 HZ3 LYS A 30 -13.921 7.335 -9.595 1.00 2.46 H new ATOM 501 N ASP A 31 -16.174 0.802 -7.022 1.00 0.39 N ATOM 502 CA ASP A 31 -17.428 0.149 -7.381 1.00 0.48 C ATOM 503 C ASP A 31 -18.078 -0.445 -6.133 1.00 0.45 C ATOM 504 O ASP A 31 -18.393 -1.635 -6.088 1.00 0.52 O ATOM 505 CB ASP A 31 -17.182 -0.947 -8.420 1.00 0.59 C ATOM 506 CG ASP A 31 -18.451 -1.687 -8.793 1.00 1.31 C ATOM 507 OD1 ASP A 31 -19.209 -1.175 -9.644 1.00 1.92 O ATOM 508 OD2 ASP A 31 -18.687 -2.779 -8.233 1.00 2.02 O ATOM 0 H ASP A 31 -15.471 0.174 -6.633 1.00 0.39 H new ATOM 0 HA ASP A 31 -18.099 0.891 -7.814 1.00 0.48 H new ATOM 0 HB2 ASP A 31 -16.747 -0.503 -9.316 1.00 0.59 H new ATOM 0 HB3 ASP A 31 -16.453 -1.657 -8.029 1.00 0.59 H new ATOM 513 N GLY A 32 -18.275 0.399 -5.123 1.00 0.39 N ATOM 514 CA GLY A 32 -18.860 -0.047 -3.873 1.00 0.40 C ATOM 515 C GLY A 32 -19.644 1.042 -3.166 1.00 0.42 C ATOM 516 O GLY A 32 -20.054 2.026 -3.781 1.00 0.59 O ATOM 0 H GLY A 32 -18.037 1.391 -5.151 1.00 0.39 H new ATOM 0 HA2 GLY A 32 -19.518 -0.894 -4.068 1.00 0.40 H new ATOM 0 HA3 GLY A 32 -18.068 -0.404 -3.214 1.00 0.40 H new ATOM 520 N GLY A 33 -19.856 0.852 -1.868 1.00 0.43 N ATOM 521 CA GLY A 33 -20.586 1.824 -1.078 1.00 0.48 C ATOM 522 C GLY A 33 -20.149 1.824 0.374 1.00 0.46 C ATOM 523 O GLY A 33 -20.936 2.133 1.268 1.00 0.86 O ATOM 0 H GLY A 33 -19.533 0.037 -1.347 1.00 0.43 H new ATOM 0 HA2 GLY A 33 -20.438 2.818 -1.500 1.00 0.48 H new ATOM 0 HA3 GLY A 33 -21.653 1.609 -1.135 1.00 0.48 H new ATOM 527 N ASP A 34 -18.888 1.470 0.608 1.00 0.45 N ATOM 528 CA ASP A 34 -18.345 1.423 1.961 1.00 0.40 C ATOM 529 C ASP A 34 -16.885 1.870 1.977 1.00 0.38 C ATOM 530 O ASP A 34 -16.303 2.153 0.930 1.00 0.62 O ATOM 531 CB ASP A 34 -18.464 0.005 2.528 1.00 0.55 C ATOM 532 CG ASP A 34 -19.895 -0.500 2.529 1.00 1.31 C ATOM 533 OD1 ASP A 34 -20.377 -0.917 1.455 1.00 2.13 O ATOM 534 OD2 ASP A 34 -20.532 -0.476 3.603 1.00 1.40 O ATOM 0 H ASP A 34 -18.224 1.212 -0.122 1.00 0.45 H new ATOM 0 HA ASP A 34 -18.921 2.107 2.584 1.00 0.40 H new ATOM 0 HB2 ASP A 34 -17.843 -0.671 1.940 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -18.076 -0.010 3.546 1.00 0.55 H new ATOM 539 N CYS A 35 -16.301 1.933 3.169 1.00 0.40 N ATOM 540 CA CYS A 35 -14.908 2.345 3.321 1.00 0.44 C ATOM 541 C CYS A 35 -14.185 1.453 4.325 1.00 0.39 C ATOM 542 O CYS A 35 -14.630 1.293 5.461 1.00 0.61 O ATOM 543 CB CYS A 35 -14.830 3.806 3.768 1.00 0.72 C ATOM 544 SG CYS A 35 -15.486 4.985 2.564 1.00 1.60 S ATOM 0 H CYS A 35 -16.770 1.704 4.045 1.00 0.40 H new ATOM 0 HA CYS A 35 -14.418 2.244 2.353 1.00 0.44 H new ATOM 0 HB2 CYS A 35 -15.377 3.918 4.704 1.00 0.72 H new ATOM 0 HB3 CYS A 35 -13.789 4.056 3.975 1.00 0.72 H new ATOM 0 HG CYS A 35 -15.377 6.192 3.035 1.00 1.60 H new ATOM 550 N GLU A 36 -13.067 0.874 3.897 1.00 0.32 N ATOM 551 CA GLU A 36 -12.284 -0.005 4.761 1.00 0.43 C ATOM 552 C GLU A 36 -10.789 0.177 4.514 1.00 0.34 C ATOM 553 O GLU A 36 -10.381 0.749 3.503 1.00 0.36 O ATOM 554 CB GLU A 36 -12.680 -1.463 4.525 1.00 0.63 C ATOM 555 CG GLU A 36 -12.058 -2.433 5.516 1.00 1.20 C ATOM 556 CD GLU A 36 -12.415 -2.107 6.954 1.00 1.70 C ATOM 557 OE1 GLU A 36 -13.521 -2.487 7.392 1.00 2.27 O ATOM 558 OE2 GLU A 36 -11.587 -1.473 7.642 1.00 2.22 O ATOM 0 H GLU A 36 -12.683 0.997 2.960 1.00 0.32 H new ATOM 0 HA GLU A 36 -12.494 0.260 5.797 1.00 0.43 H new ATOM 0 HB2 GLU A 36 -13.765 -1.549 4.579 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -12.387 -1.751 3.515 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -12.389 -3.445 5.284 1.00 1.20 H new ATOM 0 HG3 GLU A 36 -10.974 -2.418 5.402 1.00 1.20 H new ATOM 565 N TRP A 37 -9.975 -0.313 5.446 1.00 0.40 N ATOM 566 CA TRP A 37 -8.527 -0.203 5.336 1.00 0.33 C ATOM 567 C TRP A 37 -7.919 -1.452 4.715 1.00 0.35 C ATOM 568 O TRP A 37 -8.410 -2.563 4.915 1.00 0.46 O ATOM 569 CB TRP A 37 -7.912 0.019 6.716 1.00 0.38 C ATOM 570 CG TRP A 37 -8.491 1.194 7.441 1.00 0.39 C ATOM 571 CD1 TRP A 37 -8.929 2.363 6.888 1.00 0.45 C ATOM 572 CD2 TRP A 37 -8.696 1.316 8.852 1.00 0.46 C ATOM 573 NE1 TRP A 37 -9.394 3.203 7.869 1.00 0.51 N ATOM 574 CE2 TRP A 37 -9.261 2.584 9.085 1.00 0.50 C ATOM 575 CE3 TRP A 37 -8.455 0.475 9.943 1.00 0.58 C ATOM 576 CZ2 TRP A 37 -9.590 3.029 10.362 1.00 0.61 C ATOM 577 CZ3 TRP A 37 -8.782 0.920 11.210 1.00 0.71 C ATOM 578 CH2 TRP A 37 -9.345 2.186 11.410 1.00 0.70 C ATOM 0 H TRP A 37 -10.297 -0.791 6.287 1.00 0.40 H new ATOM 0 HA TRP A 37 -8.310 0.647 4.689 1.00 0.33 H new ATOM 0 HB2 TRP A 37 -8.056 -0.878 7.319 1.00 0.38 H new ATOM 0 HB3 TRP A 37 -6.837 0.161 6.608 1.00 0.38 H new ATOM 0 HD1 TRP A 37 -8.912 2.593 5.833 1.00 0.45 H new ATOM 0 HE1 TRP A 37 -9.776 4.136 7.718 1.00 0.51 H new ATOM 0 HE3 TRP A 37 -8.022 -0.504 9.798 1.00 0.58 H new ATOM 0 HZ2 TRP A 37 -10.023 4.006 10.519 1.00 0.61 H new ATOM 0 HZ3 TRP A 37 -8.600 0.280 12.061 1.00 0.71 H new ATOM 0 HH2 TRP A 37 -9.591 2.503 12.413 1.00 0.70 H new ATOM 589 N VAL A 38 -6.842 -1.260 3.962 1.00 0.28 N ATOM 590 CA VAL A 38 -6.146 -2.370 3.331 1.00 0.37 C ATOM 591 C VAL A 38 -5.074 -2.905 4.267 1.00 0.36 C ATOM 592 O VAL A 38 -4.663 -2.223 5.206 1.00 0.31 O ATOM 593 CB VAL A 38 -5.496 -1.958 1.998 1.00 0.41 C ATOM 594 CG1 VAL A 38 -4.881 -3.169 1.314 1.00 0.65 C ATOM 595 CG2 VAL A 38 -6.517 -1.290 1.093 1.00 0.46 C ATOM 0 H VAL A 38 -6.433 -0.344 3.775 1.00 0.28 H new ATOM 0 HA VAL A 38 -6.885 -3.144 3.122 1.00 0.37 H new ATOM 0 HB VAL A 38 -4.702 -1.240 2.204 1.00 0.41 H new ATOM 0 HG11 VAL A 38 -4.425 -2.863 0.373 1.00 0.65 H new ATOM 0 HG12 VAL A 38 -4.120 -3.605 1.961 1.00 0.65 H new ATOM 0 HG13 VAL A 38 -5.657 -3.909 1.117 1.00 0.65 H new ATOM 0 HG21 VAL A 38 -6.041 -1.005 0.155 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -7.332 -1.984 0.890 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -6.912 -0.401 1.584 1.00 0.46 H new ATOM 605 N LYS A 39 -4.622 -4.123 4.014 1.00 0.46 N ATOM 606 CA LYS A 39 -3.616 -4.741 4.860 1.00 0.48 C ATOM 607 C LYS A 39 -2.265 -4.050 4.763 1.00 0.38 C ATOM 608 O LYS A 39 -1.583 -4.119 3.741 1.00 0.45 O ATOM 609 CB LYS A 39 -3.479 -6.228 4.526 1.00 0.63 C ATOM 610 CG LYS A 39 -2.392 -6.933 5.320 1.00 0.67 C ATOM 611 CD LYS A 39 -2.397 -8.433 5.070 1.00 1.09 C ATOM 612 CE LYS A 39 -3.327 -9.159 6.030 1.00 1.61 C ATOM 613 NZ LYS A 39 -4.737 -8.698 5.900 1.00 2.32 N ATOM 0 H LYS A 39 -4.935 -4.700 3.233 1.00 0.46 H new ATOM 0 HA LYS A 39 -3.956 -4.632 5.890 1.00 0.48 H new ATOM 0 HB2 LYS A 39 -4.432 -6.723 4.712 1.00 0.63 H new ATOM 0 HB3 LYS A 39 -3.267 -6.335 3.462 1.00 0.63 H new ATOM 0 HG2 LYS A 39 -1.419 -6.522 5.050 1.00 0.67 H new ATOM 0 HG3 LYS A 39 -2.535 -6.741 6.383 1.00 0.67 H new ATOM 0 HD2 LYS A 39 -2.707 -8.630 4.044 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -1.385 -8.824 5.178 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -3.278 -10.231 5.841 1.00 1.61 H new ATOM 0 HE3 LYS A 39 -2.987 -9.000 7.053 1.00 1.61 H new ATOM 0 HZ1 LYS A 39 -5.367 -9.367 6.387 1.00 2.32 H new ATOM 0 HZ2 LYS A 39 -4.835 -7.755 6.328 1.00 2.32 H new ATOM 0 HZ3 LYS A 39 -4.995 -8.650 4.894 1.00 2.32 H new ATOM 627 N GLY A 40 -1.891 -3.383 5.851 1.00 0.32 N ATOM 628 CA GLY A 40 -0.616 -2.699 5.911 1.00 0.27 C ATOM 629 C GLY A 40 0.434 -3.522 6.621 1.00 0.28 C ATOM 630 O GLY A 40 1.222 -3.000 7.410 1.00 0.35 O ATOM 0 H GLY A 40 -2.455 -3.305 6.697 1.00 0.32 H new ATOM 0 HA2 GLY A 40 -0.277 -2.473 4.900 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -0.739 -1.746 6.426 1.00 0.27 H new ATOM 634 N VAL A 41 0.427 -4.819 6.351 1.00 0.29 N ATOM 635 CA VAL A 41 1.393 -5.732 6.942 1.00 0.39 C ATOM 636 C VAL A 41 2.256 -6.372 5.859 1.00 0.38 C ATOM 637 O VAL A 41 3.083 -7.236 6.148 1.00 0.45 O ATOM 638 CB VAL A 41 0.710 -6.862 7.732 1.00 0.50 C ATOM 639 CG1 VAL A 41 1.675 -7.463 8.741 1.00 0.68 C ATOM 640 CG2 VAL A 41 -0.556 -6.366 8.417 1.00 0.51 C ATOM 0 H VAL A 41 -0.241 -5.265 5.722 1.00 0.29 H new ATOM 0 HA VAL A 41 2.004 -5.139 7.622 1.00 0.39 H new ATOM 0 HB VAL A 41 0.420 -7.642 7.028 1.00 0.50 H new ATOM 0 HG11 VAL A 41 1.176 -8.261 9.291 1.00 0.68 H new ATOM 0 HG12 VAL A 41 2.541 -7.869 8.219 1.00 0.68 H new ATOM 0 HG13 VAL A 41 2.001 -6.691 9.438 1.00 0.68 H new ATOM 0 HG21 VAL A 41 -1.017 -7.186 8.967 1.00 0.51 H new ATOM 0 HG22 VAL A 41 -0.304 -5.561 9.108 1.00 0.51 H new ATOM 0 HG23 VAL A 41 -1.254 -5.995 7.667 1.00 0.51 H new ATOM 650 N HIS A 42 2.067 -5.946 4.608 1.00 0.35 N ATOM 651 CA HIS A 42 2.825 -6.509 3.503 1.00 0.40 C ATOM 652 C HIS A 42 4.251 -6.022 3.521 1.00 0.36 C ATOM 653 O HIS A 42 4.655 -5.174 2.727 1.00 0.31 O ATOM 654 CB HIS A 42 2.133 -6.221 2.170 1.00 0.43 C ATOM 655 CG HIS A 42 1.724 -7.461 1.439 1.00 0.64 C ATOM 656 ND1 HIS A 42 2.490 -8.039 0.450 1.00 1.35 N ATOM 657 CD2 HIS A 42 0.622 -8.239 1.564 1.00 1.27 C ATOM 658 CE1 HIS A 42 1.877 -9.119 -0.003 1.00 1.32 C ATOM 659 NE2 HIS A 42 0.742 -9.262 0.656 1.00 1.17 N ATOM 0 H HIS A 42 1.401 -5.220 4.343 1.00 0.35 H new ATOM 0 HA HIS A 42 2.858 -7.592 3.623 1.00 0.40 H new ATOM 0 HB2 HIS A 42 1.251 -5.606 2.351 1.00 0.43 H new ATOM 0 HB3 HIS A 42 2.804 -5.639 1.538 1.00 0.43 H new ATOM 0 HD2 HIS A 42 -0.198 -8.084 2.250 1.00 1.27 H new ATOM 0 HE1 HIS A 42 2.243 -9.773 -0.780 1.00 1.32 H new ATOM 0 HE2 HIS A 42 0.064 -10.011 0.514 1.00 1.17 H new ATOM 668 N VAL A 43 5.000 -6.618 4.441 1.00 0.43 N ATOM 669 CA VAL A 43 6.405 -6.303 4.655 1.00 0.44 C ATOM 670 C VAL A 43 7.264 -6.525 3.426 1.00 0.44 C ATOM 671 O VAL A 43 8.057 -7.464 3.357 1.00 0.54 O ATOM 672 CB VAL A 43 6.977 -7.108 5.841 1.00 0.55 C ATOM 673 CG1 VAL A 43 6.762 -8.601 5.636 1.00 1.49 C ATOM 674 CG2 VAL A 43 8.453 -6.799 6.054 1.00 1.34 C ATOM 0 H VAL A 43 4.644 -7.341 5.066 1.00 0.43 H new ATOM 0 HA VAL A 43 6.439 -5.238 4.883 1.00 0.44 H new ATOM 0 HB VAL A 43 6.439 -6.806 6.740 1.00 0.55 H new ATOM 0 HG11 VAL A 43 7.173 -9.148 6.485 1.00 1.49 H new ATOM 0 HG12 VAL A 43 5.695 -8.807 5.554 1.00 1.49 H new ATOM 0 HG13 VAL A 43 7.264 -8.919 4.722 1.00 1.49 H new ATOM 0 HG21 VAL A 43 8.829 -7.380 6.896 1.00 1.34 H new ATOM 0 HG22 VAL A 43 9.012 -7.059 5.155 1.00 1.34 H new ATOM 0 HG23 VAL A 43 8.576 -5.736 6.263 1.00 1.34 H new ATOM 684 N ALA A 44 7.095 -5.646 2.455 1.00 0.36 N ATOM 685 CA ALA A 44 7.894 -5.683 1.249 1.00 0.42 C ATOM 686 C ALA A 44 9.101 -4.780 1.442 1.00 0.41 C ATOM 687 O ALA A 44 9.405 -3.929 0.606 1.00 0.45 O ATOM 688 CB ALA A 44 7.074 -5.263 0.038 1.00 0.48 C ATOM 0 H ALA A 44 6.406 -4.894 2.481 1.00 0.36 H new ATOM 0 HA ALA A 44 8.232 -6.702 1.062 1.00 0.42 H new ATOM 0 HB1 ALA A 44 7.698 -5.300 -0.855 1.00 0.48 H new ATOM 0 HB2 ALA A 44 6.229 -5.941 -0.082 1.00 0.48 H new ATOM 0 HB3 ALA A 44 6.706 -4.247 0.182 1.00 0.48 H new ATOM 694 N GLU A 45 9.785 -4.984 2.567 1.00 0.43 N ATOM 695 CA GLU A 45 10.957 -4.190 2.931 1.00 0.49 C ATOM 696 C GLU A 45 11.861 -3.970 1.731 1.00 0.53 C ATOM 697 O GLU A 45 12.541 -2.952 1.627 1.00 0.62 O ATOM 698 CB GLU A 45 11.736 -4.884 4.050 1.00 0.58 C ATOM 699 CG GLU A 45 12.963 -4.113 4.505 1.00 1.27 C ATOM 700 CD GLU A 45 13.687 -4.796 5.647 1.00 1.96 C ATOM 701 OE1 GLU A 45 14.516 -5.690 5.373 1.00 2.44 O ATOM 702 OE2 GLU A 45 13.424 -4.441 6.816 1.00 2.42 O ATOM 0 H GLU A 45 9.543 -5.702 3.250 1.00 0.43 H new ATOM 0 HA GLU A 45 10.612 -3.218 3.282 1.00 0.49 H new ATOM 0 HB2 GLU A 45 11.074 -5.034 4.903 1.00 0.58 H new ATOM 0 HB3 GLU A 45 12.044 -5.872 3.708 1.00 0.58 H new ATOM 0 HG2 GLU A 45 13.647 -3.995 3.664 1.00 1.27 H new ATOM 0 HG3 GLU A 45 12.664 -3.112 4.815 1.00 1.27 H new ATOM 709 N ASP A 46 11.852 -4.929 0.824 1.00 0.54 N ATOM 710 CA ASP A 46 12.666 -4.839 -0.382 1.00 0.62 C ATOM 711 C ASP A 46 12.143 -3.735 -1.282 1.00 0.65 C ATOM 712 O ASP A 46 12.910 -2.914 -1.784 1.00 0.75 O ATOM 713 CB ASP A 46 12.669 -6.169 -1.127 1.00 0.68 C ATOM 714 CG ASP A 46 11.274 -6.624 -1.503 1.00 1.64 C ATOM 715 OD1 ASP A 46 10.607 -7.258 -0.658 1.00 1.96 O ATOM 716 OD2 ASP A 46 10.846 -6.346 -2.644 1.00 2.48 O ATOM 0 H ASP A 46 11.293 -5.779 0.896 1.00 0.54 H new ATOM 0 HA ASP A 46 13.690 -4.604 -0.093 1.00 0.62 H new ATOM 0 HB2 ASP A 46 13.273 -6.075 -2.029 1.00 0.68 H new ATOM 0 HB3 ASP A 46 13.141 -6.930 -0.505 1.00 0.68 H new ATOM 721 N VAL A 47 10.830 -3.712 -1.472 1.00 0.62 N ATOM 722 CA VAL A 47 10.209 -2.697 -2.302 1.00 0.72 C ATOM 723 C VAL A 47 10.530 -1.315 -1.750 1.00 0.75 C ATOM 724 O VAL A 47 10.886 -0.425 -2.487 1.00 0.88 O ATOM 725 CB VAL A 47 8.686 -2.890 -2.373 1.00 0.73 C ATOM 726 CG1 VAL A 47 8.052 -1.811 -3.236 1.00 0.84 C ATOM 727 CG2 VAL A 47 8.349 -4.273 -2.910 1.00 0.76 C ATOM 0 H VAL A 47 10.180 -4.383 -1.063 1.00 0.62 H new ATOM 0 HA VAL A 47 10.609 -2.791 -3.312 1.00 0.72 H new ATOM 0 HB VAL A 47 8.280 -2.805 -1.365 1.00 0.73 H new ATOM 0 HG11 VAL A 47 6.973 -1.963 -3.275 1.00 0.84 H new ATOM 0 HG12 VAL A 47 8.265 -0.831 -2.808 1.00 0.84 H new ATOM 0 HG13 VAL A 47 8.463 -1.864 -4.244 1.00 0.84 H new ATOM 0 HG21 VAL A 47 7.266 -4.393 -2.954 1.00 0.76 H new ATOM 0 HG22 VAL A 47 8.767 -4.387 -3.910 1.00 0.76 H new ATOM 0 HG23 VAL A 47 8.772 -5.032 -2.252 1.00 0.76 H new ATOM 737 N ALA A 48 10.406 -1.194 -0.434 1.00 0.68 N ATOM 738 CA ALA A 48 10.673 0.026 0.334 1.00 0.77 C ATOM 739 C ALA A 48 12.156 0.374 0.326 1.00 0.86 C ATOM 740 O ALA A 48 12.546 1.450 -0.124 1.00 0.99 O ATOM 741 CB ALA A 48 10.201 -0.164 1.768 1.00 0.70 C ATOM 0 H ALA A 48 10.105 -1.971 0.155 1.00 0.68 H new ATOM 0 HA ALA A 48 10.130 0.848 -0.132 1.00 0.77 H new ATOM 0 HB1 ALA A 48 10.399 0.743 2.339 1.00 0.70 H new ATOM 0 HB2 ALA A 48 9.131 -0.370 1.774 1.00 0.70 H new ATOM 0 HB3 ALA A 48 10.734 -1.001 2.219 1.00 0.70 H new ATOM 747 N LYS A 49 12.982 -0.543 0.828 1.00 0.81 N ATOM 748 CA LYS A 49 14.420 -0.314 0.871 1.00 0.92 C ATOM 749 C LYS A 49 14.935 -0.017 -0.526 1.00 0.98 C ATOM 750 O LYS A 49 15.894 0.733 -0.706 1.00 1.11 O ATOM 751 CB LYS A 49 15.146 -1.527 1.460 1.00 0.90 C ATOM 752 CG LYS A 49 15.274 -1.481 2.974 1.00 1.34 C ATOM 753 CD LYS A 49 13.954 -1.129 3.639 1.00 2.07 C ATOM 754 CE LYS A 49 14.095 -1.059 5.151 1.00 2.67 C ATOM 755 NZ LYS A 49 12.817 -0.677 5.810 1.00 3.35 N ATOM 0 H LYS A 49 12.682 -1.441 1.206 1.00 0.81 H new ATOM 0 HA LYS A 49 14.618 0.544 1.514 1.00 0.92 H new ATOM 0 HB2 LYS A 49 14.612 -2.434 1.176 1.00 0.90 H new ATOM 0 HB3 LYS A 49 16.141 -1.593 1.021 1.00 0.90 H new ATOM 0 HG2 LYS A 49 15.619 -2.448 3.340 1.00 1.34 H new ATOM 0 HG3 LYS A 49 16.029 -0.747 3.253 1.00 1.34 H new ATOM 0 HD2 LYS A 49 13.599 -0.171 3.261 1.00 2.07 H new ATOM 0 HD3 LYS A 49 13.203 -1.874 3.376 1.00 2.07 H new ATOM 0 HE2 LYS A 49 14.424 -2.027 5.530 1.00 2.67 H new ATOM 0 HE3 LYS A 49 14.868 -0.335 5.410 1.00 2.67 H new ATOM 0 HZ1 LYS A 49 12.816 -1.021 6.792 1.00 3.35 H new ATOM 0 HZ2 LYS A 49 12.720 0.358 5.806 1.00 3.35 H new ATOM 0 HZ3 LYS A 49 12.020 -1.102 5.294 1.00 3.35 H new ATOM 769 N ASP A 50 14.300 -0.622 -1.514 1.00 0.91 N ATOM 770 CA ASP A 50 14.678 -0.403 -2.896 1.00 1.00 C ATOM 771 C ASP A 50 13.867 0.743 -3.501 1.00 1.12 C ATOM 772 O ASP A 50 14.243 1.307 -4.529 1.00 1.28 O ATOM 773 CB ASP A 50 14.533 -1.708 -3.699 1.00 0.94 C ATOM 774 CG ASP A 50 13.180 -1.902 -4.374 1.00 1.38 C ATOM 775 OD1 ASP A 50 12.747 -1.004 -5.127 1.00 1.45 O ATOM 776 OD2 ASP A 50 12.571 -2.971 -4.172 1.00 2.00 O ATOM 0 H ASP A 50 13.521 -1.268 -1.384 1.00 0.91 H new ATOM 0 HA ASP A 50 15.726 -0.108 -2.939 1.00 1.00 H new ATOM 0 HB2 ASP A 50 15.310 -1.735 -4.463 1.00 0.94 H new ATOM 0 HB3 ASP A 50 14.713 -2.550 -3.031 1.00 0.94 H new ATOM 781 N TYR A 51 12.749 1.084 -2.859 1.00 1.07 N ATOM 782 CA TYR A 51 11.903 2.157 -3.340 1.00 1.22 C ATOM 783 C TYR A 51 12.551 3.490 -3.040 1.00 1.37 C ATOM 784 O TYR A 51 12.907 4.252 -3.938 1.00 1.51 O ATOM 785 CB TYR A 51 10.521 2.142 -2.690 1.00 1.20 C ATOM 786 CG TYR A 51 9.422 1.508 -3.530 1.00 1.26 C ATOM 787 CD1 TYR A 51 9.739 0.730 -4.640 1.00 1.68 C ATOM 788 CD2 TYR A 51 8.074 1.677 -3.217 1.00 1.11 C ATOM 789 CE1 TYR A 51 8.753 0.141 -5.407 1.00 1.87 C ATOM 790 CE2 TYR A 51 7.085 1.091 -3.984 1.00 1.18 C ATOM 791 CZ TYR A 51 7.391 0.372 -5.063 1.00 1.57 C ATOM 792 OH TYR A 51 6.446 -0.263 -5.837 1.00 1.77 O ATOM 0 H TYR A 51 12.416 0.630 -2.009 1.00 1.07 H new ATOM 0 HA TYR A 51 11.782 2.010 -4.413 1.00 1.22 H new ATOM 0 HB2 TYR A 51 10.588 1.607 -1.742 1.00 1.20 H new ATOM 0 HB3 TYR A 51 10.234 3.168 -2.458 1.00 1.20 H new ATOM 0 HD1 TYR A 51 10.775 0.584 -4.906 1.00 1.68 H new ATOM 0 HD2 TYR A 51 7.798 2.276 -2.361 1.00 1.11 H new ATOM 0 HE1 TYR A 51 9.010 -0.482 -6.251 1.00 1.87 H new ATOM 0 HE2 TYR A 51 6.049 1.218 -3.705 1.00 1.18 H new ATOM 0 HH TYR A 51 5.757 -0.652 -5.259 1.00 1.77 H new ATOM 802 N GLU A 52 12.714 3.739 -1.746 1.00 1.35 N ATOM 803 CA GLU A 52 13.292 4.981 -1.265 1.00 1.51 C ATOM 804 C GLU A 52 14.805 4.867 -1.112 1.00 1.55 C ATOM 805 O GLU A 52 15.558 5.708 -1.606 1.00 1.70 O ATOM 806 CB GLU A 52 12.658 5.391 0.070 1.00 1.52 C ATOM 807 CG GLU A 52 13.143 4.578 1.262 1.00 1.43 C ATOM 808 CD GLU A 52 12.447 4.957 2.554 1.00 1.44 C ATOM 809 OE1 GLU A 52 12.706 6.067 3.064 1.00 1.77 O ATOM 810 OE2 GLU A 52 11.643 4.144 3.056 1.00 1.20 O ATOM 0 H GLU A 52 12.450 3.088 -1.007 1.00 1.35 H new ATOM 0 HA GLU A 52 13.082 5.751 -2.008 1.00 1.51 H new ATOM 0 HB2 GLU A 52 12.869 6.445 0.252 1.00 1.52 H new ATOM 0 HB3 GLU A 52 11.575 5.292 -0.008 1.00 1.52 H new ATOM 0 HG2 GLU A 52 12.980 3.519 1.064 1.00 1.43 H new ATOM 0 HG3 GLU A 52 14.218 4.719 1.379 1.00 1.43 H new ATOM 817 N ASP A 53 15.241 3.818 -0.423 1.00 1.43 N ATOM 818 CA ASP A 53 16.658 3.589 -0.185 1.00 1.48 C ATOM 819 C ASP A 53 17.356 3.091 -1.447 1.00 1.47 C ATOM 820 O ASP A 53 18.575 3.197 -1.573 1.00 1.59 O ATOM 821 CB ASP A 53 16.838 2.590 0.958 1.00 1.40 C ATOM 822 CG ASP A 53 17.086 3.274 2.288 1.00 1.76 C ATOM 823 OD1 ASP A 53 16.114 3.786 2.883 1.00 2.30 O ATOM 824 OD2 ASP A 53 18.252 3.299 2.735 1.00 1.84 O ATOM 0 H ASP A 53 14.628 3.110 -0.018 1.00 1.43 H new ATOM 0 HA ASP A 53 17.117 4.537 0.095 1.00 1.48 H new ATOM 0 HB2 ASP A 53 15.948 1.965 1.034 1.00 1.40 H new ATOM 0 HB3 ASP A 53 17.674 1.929 0.731 1.00 1.40 H new ATOM 829 N GLY A 54 16.579 2.546 -2.378 1.00 1.36 N ATOM 830 CA GLY A 54 17.148 2.053 -3.618 1.00 1.37 C ATOM 831 C GLY A 54 17.704 3.174 -4.474 1.00 1.49 C ATOM 832 O GLY A 54 18.789 3.054 -5.041 1.00 1.61 O ATOM 0 H GLY A 54 15.568 2.437 -2.296 1.00 1.36 H new ATOM 0 HA2 GLY A 54 17.942 1.340 -3.394 1.00 1.37 H new ATOM 0 HA3 GLY A 54 16.384 1.514 -4.178 1.00 1.37 H new ATOM 836 N LEU A 55 16.953 4.268 -4.569 1.00 1.49 N ATOM 837 CA LEU A 55 17.379 5.422 -5.352 1.00 1.63 C ATOM 838 C LEU A 55 18.330 6.295 -4.543 1.00 1.70 C ATOM 839 O LEU A 55 19.487 6.482 -4.918 1.00 1.78 O ATOM 840 CB LEU A 55 16.170 6.244 -5.804 1.00 1.67 C ATOM 841 CG LEU A 55 15.275 5.570 -6.846 1.00 1.85 C ATOM 842 CD1 LEU A 55 14.189 6.527 -7.314 1.00 2.26 C ATOM 843 CD2 LEU A 55 16.103 5.084 -8.028 1.00 2.34 C ATOM 0 H LEU A 55 16.047 4.379 -4.113 1.00 1.49 H new ATOM 0 HA LEU A 55 17.903 5.057 -6.236 1.00 1.63 H new ATOM 0 HB2 LEU A 55 15.565 6.482 -4.929 1.00 1.67 H new ATOM 0 HB3 LEU A 55 16.526 7.190 -6.212 1.00 1.67 H new ATOM 0 HG LEU A 55 14.798 4.707 -6.383 1.00 1.85 H new ATOM 0 HD11 LEU A 55 13.562 6.031 -8.055 1.00 2.26 H new ATOM 0 HD12 LEU A 55 13.577 6.827 -6.463 1.00 2.26 H new ATOM 0 HD13 LEU A 55 14.649 7.409 -7.760 1.00 2.26 H new ATOM 0 HD21 LEU A 55 15.449 4.607 -8.759 1.00 2.34 H new ATOM 0 HD22 LEU A 55 16.608 5.931 -8.491 1.00 2.34 H new ATOM 0 HD23 LEU A 55 16.845 4.365 -7.681 1.00 2.34 H new ATOM 855 N GLU A 56 17.835 6.826 -3.429 1.00 1.70 N ATOM 856 CA GLU A 56 18.646 7.672 -2.562 1.00 1.80 C ATOM 857 C GLU A 56 19.405 6.827 -1.546 1.00 1.75 C ATOM 858 O GLU A 56 19.211 6.963 -0.339 1.00 1.78 O ATOM 859 CB GLU A 56 17.771 8.694 -1.840 1.00 1.87 C ATOM 860 CG GLU A 56 17.000 9.609 -2.775 1.00 1.94 C ATOM 861 CD GLU A 56 17.906 10.392 -3.704 1.00 2.37 C ATOM 862 OE1 GLU A 56 18.444 11.434 -3.270 1.00 2.57 O ATOM 863 OE2 GLU A 56 18.080 9.966 -4.864 1.00 2.95 O ATOM 0 H GLU A 56 16.878 6.685 -3.106 1.00 1.70 H new ATOM 0 HA GLU A 56 19.367 8.203 -3.184 1.00 1.80 H new ATOM 0 HB2 GLU A 56 17.065 8.166 -1.199 1.00 1.87 H new ATOM 0 HB3 GLU A 56 18.400 9.301 -1.189 1.00 1.87 H new ATOM 0 HG2 GLU A 56 16.305 9.014 -3.368 1.00 1.94 H new ATOM 0 HG3 GLU A 56 16.402 10.304 -2.186 1.00 1.94 H new ATOM 870 N TYR A 57 20.271 5.953 -2.048 1.00 1.71 N ATOM 871 CA TYR A 57 21.063 5.077 -1.192 1.00 1.68 C ATOM 872 C TYR A 57 22.276 5.814 -0.634 1.00 1.81 C ATOM 873 O TYR A 57 22.158 6.404 0.461 1.00 2.23 O ATOM 874 CB TYR A 57 21.512 3.841 -1.974 1.00 1.60 C ATOM 875 CG TYR A 57 22.420 2.919 -1.192 1.00 1.59 C ATOM 876 CD1 TYR A 57 21.896 1.933 -0.368 1.00 1.54 C ATOM 877 CD2 TYR A 57 23.802 3.037 -1.277 1.00 1.67 C ATOM 878 CE1 TYR A 57 22.721 1.090 0.351 1.00 1.58 C ATOM 879 CE2 TYR A 57 24.635 2.197 -0.561 1.00 1.68 C ATOM 880 CZ TYR A 57 24.091 1.218 0.242 1.00 1.64 C ATOM 881 OH TYR A 57 24.916 0.388 0.965 1.00 1.69 O ATOM 882 OXT TYR A 57 23.335 5.795 -1.296 1.00 2.06 O ATOM 0 H TYR A 57 20.443 5.832 -3.046 1.00 1.71 H new ATOM 0 HA TYR A 57 20.439 4.762 -0.356 1.00 1.68 H new ATOM 0 HB2 TYR A 57 20.631 3.284 -2.292 1.00 1.60 H new ATOM 0 HB3 TYR A 57 22.029 4.163 -2.878 1.00 1.60 H new ATOM 0 HD1 TYR A 57 20.825 1.823 -0.287 1.00 1.54 H new ATOM 0 HD2 TYR A 57 24.232 3.797 -1.912 1.00 1.67 H new ATOM 0 HE1 TYR A 57 22.296 0.334 0.995 1.00 1.58 H new ATOM 0 HE2 TYR A 57 25.707 2.308 -0.631 1.00 1.68 H new ATOM 0 HH TYR A 57 25.851 0.609 0.773 1.00 1.69 H new TER 892 TYR A 57 ATOM 893 N ALA B 1 -15.297 -10.781 4.646 1.00 5.20 N ATOM 894 CA ALA B 1 -15.286 -10.033 3.363 1.00 4.69 C ATOM 895 C ALA B 1 -15.299 -8.526 3.607 1.00 3.91 C ATOM 896 O ALA B 1 -16.362 -7.922 3.751 1.00 3.61 O ATOM 897 CB ALA B 1 -16.474 -10.440 2.505 1.00 4.99 C ATOM 0 H1 ALA B 1 -15.288 -11.803 4.452 1.00 5.20 H new ATOM 0 H2 ALA B 1 -14.457 -10.527 5.203 1.00 5.20 H new ATOM 0 H3 ALA B 1 -16.154 -10.538 5.182 1.00 5.20 H new ATOM 0 HA ALA B 1 -14.367 -10.282 2.833 1.00 4.69 H new ATOM 0 HB1 ALA B 1 -16.453 -9.884 1.568 1.00 4.99 H new ATOM 0 HB2 ALA B 1 -16.422 -11.508 2.294 1.00 4.99 H new ATOM 0 HB3 ALA B 1 -17.399 -10.220 3.037 1.00 4.99 H new ATOM 905 N PRO B 2 -14.110 -7.899 3.658 1.00 3.99 N ATOM 906 CA PRO B 2 -13.983 -6.455 3.889 1.00 3.65 C ATOM 907 C PRO B 2 -14.391 -5.629 2.670 1.00 2.77 C ATOM 908 O PRO B 2 -13.696 -5.628 1.654 1.00 2.79 O ATOM 909 CB PRO B 2 -12.490 -6.278 4.170 1.00 4.44 C ATOM 910 CG PRO B 2 -11.836 -7.393 3.432 1.00 5.12 C ATOM 911 CD PRO B 2 -12.794 -8.551 3.498 1.00 4.90 C ATOM 0 HA PRO B 2 -14.633 -6.113 4.694 1.00 3.65 H new ATOM 0 HB2 PRO B 2 -12.133 -5.309 3.822 1.00 4.44 H new ATOM 0 HB3 PRO B 2 -12.278 -6.331 5.238 1.00 4.44 H new ATOM 0 HG2 PRO B 2 -11.634 -7.112 2.398 1.00 5.12 H new ATOM 0 HG3 PRO B 2 -10.879 -7.652 3.884 1.00 5.12 H new ATOM 0 HD2 PRO B 2 -12.754 -9.158 2.593 1.00 4.90 H new ATOM 0 HD3 PRO B 2 -12.569 -9.212 4.335 1.00 4.90 H new ATOM 919 N PRO B 3 -15.527 -4.914 2.753 1.00 2.55 N ATOM 920 CA PRO B 3 -16.016 -4.079 1.650 1.00 2.38 C ATOM 921 C PRO B 3 -15.205 -2.797 1.493 1.00 2.11 C ATOM 922 O PRO B 3 -15.732 -1.696 1.650 1.00 2.74 O ATOM 923 CB PRO B 3 -17.449 -3.754 2.069 1.00 3.12 C ATOM 924 CG PRO B 3 -17.421 -3.796 3.557 1.00 3.56 C ATOM 925 CD PRO B 3 -16.428 -4.866 3.922 1.00 3.22 C ATOM 0 HA PRO B 3 -15.940 -4.584 0.687 1.00 2.38 H new ATOM 0 HB2 PRO B 3 -17.756 -2.773 1.705 1.00 3.12 H new ATOM 0 HB3 PRO B 3 -18.155 -4.479 1.665 1.00 3.12 H new ATOM 0 HG2 PRO B 3 -17.125 -2.831 3.969 1.00 3.56 H new ATOM 0 HG3 PRO B 3 -18.408 -4.025 3.960 1.00 3.56 H new ATOM 0 HD2 PRO B 3 -15.888 -4.617 4.835 1.00 3.22 H new ATOM 0 HD3 PRO B 3 -16.916 -5.826 4.092 1.00 3.22 H new ATOM 933 N GLY B 4 -13.922 -2.946 1.182 1.00 1.73 N ATOM 934 CA GLY B 4 -13.062 -1.788 1.010 1.00 1.69 C ATOM 935 C GLY B 4 -11.591 -2.155 0.977 1.00 1.53 C ATOM 936 O GLY B 4 -10.869 -1.949 1.952 1.00 2.11 O ATOM 0 H GLY B 4 -13.462 -3.846 1.046 1.00 1.73 H new ATOM 0 HA2 GLY B 4 -13.326 -1.278 0.084 1.00 1.69 H new ATOM 0 HA3 GLY B 4 -13.239 -1.084 1.823 1.00 1.69 H new ATOM 940 N THR B 5 -11.148 -2.700 -0.151 1.00 1.20 N ATOM 941 CA THR B 5 -9.755 -3.100 -0.308 1.00 1.17 C ATOM 942 C THR B 5 -9.312 -3.040 -1.767 1.00 1.11 C ATOM 943 O THR B 5 -10.133 -2.935 -2.677 1.00 1.30 O ATOM 944 CB THR B 5 -9.518 -4.520 0.233 1.00 1.49 C ATOM 945 OG1 THR B 5 -10.338 -5.458 -0.475 1.00 1.85 O ATOM 946 CG2 THR B 5 -9.829 -4.592 1.721 1.00 1.82 C ATOM 0 H THR B 5 -11.733 -2.875 -0.968 1.00 1.20 H new ATOM 0 HA THR B 5 -9.161 -2.391 0.269 1.00 1.17 H new ATOM 0 HB THR B 5 -8.468 -4.770 0.084 1.00 1.49 H new ATOM 0 HG1 THR B 5 -10.180 -6.360 -0.126 1.00 1.85 H new ATOM 0 HG21 THR B 5 -9.654 -5.606 2.081 1.00 1.82 H new ATOM 0 HG22 THR B 5 -9.184 -3.899 2.261 1.00 1.82 H new ATOM 0 HG23 THR B 5 -10.872 -4.323 1.888 1.00 1.82 H new ATOM 954 N ALA B 6 -8.001 -3.110 -1.973 1.00 1.15 N ATOM 955 CA ALA B 6 -7.426 -3.076 -3.312 1.00 1.27 C ATOM 956 C ALA B 6 -5.997 -3.608 -3.287 1.00 1.57 C ATOM 957 O ALA B 6 -5.575 -4.217 -2.304 1.00 1.86 O ATOM 958 CB ALA B 6 -7.468 -1.662 -3.875 1.00 1.16 C ATOM 0 H ALA B 6 -7.313 -3.191 -1.224 1.00 1.15 H new ATOM 0 HA ALA B 6 -8.020 -3.717 -3.963 1.00 1.27 H new ATOM 0 HB1 ALA B 6 -7.035 -1.656 -4.875 1.00 1.16 H new ATOM 0 HB2 ALA B 6 -8.502 -1.321 -3.925 1.00 1.16 H new ATOM 0 HB3 ALA B 6 -6.897 -0.996 -3.228 1.00 1.16 H new ATOM 964 N ARG B 7 -5.252 -3.382 -4.364 1.00 2.16 N ATOM 965 CA ARG B 7 -3.874 -3.859 -4.438 1.00 2.49 C ATOM 966 C ARG B 7 -3.036 -3.015 -5.392 1.00 1.97 C ATOM 967 O ARG B 7 -3.262 -3.011 -6.603 1.00 2.16 O ATOM 968 CB ARG B 7 -3.851 -5.323 -4.881 1.00 3.50 C ATOM 969 CG ARG B 7 -4.582 -6.255 -3.932 1.00 4.23 C ATOM 970 CD ARG B 7 -4.524 -7.695 -4.411 1.00 5.24 C ATOM 971 NE ARG B 7 -5.107 -8.618 -3.443 1.00 5.78 N ATOM 972 CZ ARG B 7 -5.276 -9.916 -3.672 1.00 6.67 C ATOM 973 NH1 ARG B 7 -4.920 -10.436 -4.839 1.00 7.13 N ATOM 974 NH2 ARG B 7 -5.803 -10.694 -2.737 1.00 7.29 N ATOM 0 H ARG B 7 -5.574 -2.877 -5.190 1.00 2.16 H new ATOM 0 HA ARG B 7 -3.438 -3.771 -3.443 1.00 2.49 H new ATOM 0 HB2 ARG B 7 -4.299 -5.402 -5.872 1.00 3.50 H new ATOM 0 HB3 ARG B 7 -2.815 -5.650 -4.973 1.00 3.50 H new ATOM 0 HG2 ARG B 7 -4.141 -6.183 -2.938 1.00 4.23 H new ATOM 0 HG3 ARG B 7 -5.622 -5.942 -3.842 1.00 4.23 H new ATOM 0 HD2 ARG B 7 -5.053 -7.783 -5.360 1.00 5.24 H new ATOM 0 HD3 ARG B 7 -3.487 -7.973 -4.598 1.00 5.24 H new ATOM 0 HE ARG B 7 -5.401 -8.246 -2.540 1.00 5.78 H new ATOM 0 HH11 ARG B 7 -4.516 -9.840 -5.561 1.00 7.13 H new ATOM 0 HH12 ARG B 7 -5.050 -11.432 -5.014 1.00 7.13 H new ATOM 0 HH21 ARG B 7 -6.080 -10.297 -1.839 1.00 7.29 H new ATOM 0 HH22 ARG B 7 -5.932 -11.690 -2.915 1.00 7.29 H new ATOM 988 N ARG B 8 -2.066 -2.299 -4.831 1.00 1.65 N ATOM 989 CA ARG B 8 -1.177 -1.455 -5.615 1.00 1.81 C ATOM 990 C ARG B 8 -0.425 -2.257 -6.674 1.00 2.34 C ATOM 991 O ARG B 8 -0.363 -1.854 -7.834 1.00 3.35 O ATOM 992 CB ARG B 8 -0.177 -0.742 -4.704 1.00 2.17 C ATOM 993 CG ARG B 8 0.292 -1.582 -3.521 1.00 2.70 C ATOM 994 CD ARG B 8 -0.399 -1.148 -2.236 1.00 3.52 C ATOM 995 NE ARG B 8 -0.016 -1.971 -1.088 1.00 4.36 N ATOM 996 CZ ARG B 8 -0.702 -3.031 -0.650 1.00 5.31 C ATOM 997 NH1 ARG B 8 -1.798 -3.443 -1.273 1.00 5.56 N ATOM 998 NH2 ARG B 8 -0.285 -3.683 0.424 1.00 6.23 N ATOM 0 H ARG B 8 -1.877 -2.289 -3.829 1.00 1.65 H new ATOM 0 HA ARG B 8 -1.796 -0.716 -6.124 1.00 1.81 H new ATOM 0 HB2 ARG B 8 0.691 -0.448 -5.294 1.00 2.17 H new ATOM 0 HB3 ARG B 8 -0.633 0.174 -4.328 1.00 2.17 H new ATOM 0 HG2 ARG B 8 0.084 -2.635 -3.713 1.00 2.70 H new ATOM 0 HG3 ARG B 8 1.372 -1.486 -3.408 1.00 2.70 H new ATOM 0 HD2 ARG B 8 -0.154 -0.106 -2.030 1.00 3.52 H new ATOM 0 HD3 ARG B 8 -1.479 -1.201 -2.372 1.00 3.52 H new ATOM 0 HE ARG B 8 0.835 -1.717 -0.586 1.00 4.36 H new ATOM 0 HH11 ARG B 8 -2.130 -2.949 -2.101 1.00 5.56 H new ATOM 0 HH12 ARG B 8 -2.309 -4.254 -0.924 1.00 5.56 H new ATOM 0 HH21 ARG B 8 0.556 -3.376 0.913 1.00 6.23 H new ATOM 0 HH22 ARG B 8 -0.805 -4.493 0.763 1.00 6.23 H new ATOM 1012 N LYS B 9 0.148 -3.389 -6.275 1.00 1.97 N ATOM 1013 CA LYS B 9 0.900 -4.218 -7.207 1.00 2.57 C ATOM 1014 C LYS B 9 0.853 -5.691 -6.804 1.00 1.88 C ATOM 1015 O LYS B 9 0.143 -6.065 -5.871 1.00 1.98 O ATOM 1016 CB LYS B 9 2.353 -3.745 -7.268 1.00 3.57 C ATOM 1017 CG LYS B 9 2.514 -2.349 -7.848 1.00 4.55 C ATOM 1018 CD LYS B 9 3.977 -1.943 -7.935 1.00 5.55 C ATOM 1019 CE LYS B 9 4.134 -0.561 -8.548 1.00 6.48 C ATOM 1020 NZ LYS B 9 5.564 -0.166 -8.673 1.00 7.18 N ATOM 0 H LYS B 9 0.106 -3.749 -5.322 1.00 1.97 H new ATOM 0 HA LYS B 9 0.441 -4.120 -8.191 1.00 2.57 H new ATOM 0 HB2 LYS B 9 2.775 -3.763 -6.263 1.00 3.57 H new ATOM 0 HB3 LYS B 9 2.930 -4.448 -7.869 1.00 3.57 H new ATOM 0 HG2 LYS B 9 2.067 -2.313 -8.841 1.00 4.55 H new ATOM 0 HG3 LYS B 9 1.973 -1.633 -7.229 1.00 4.55 H new ATOM 0 HD2 LYS B 9 4.419 -1.953 -6.939 1.00 5.55 H new ATOM 0 HD3 LYS B 9 4.523 -2.672 -8.533 1.00 5.55 H new ATOM 0 HE2 LYS B 9 3.666 -0.546 -9.532 1.00 6.48 H new ATOM 0 HE3 LYS B 9 3.608 0.170 -7.934 1.00 6.48 H new ATOM 0 HZ1 LYS B 9 5.626 0.789 -9.080 1.00 7.18 H new ATOM 0 HZ2 LYS B 9 6.009 -0.172 -7.733 1.00 7.18 H new ATOM 0 HZ3 LYS B 9 6.057 -0.839 -9.294 1.00 7.18 H new ATOM 1034 N ARG B 10 1.615 -6.523 -7.512 1.00 1.72 N ATOM 1035 CA ARG B 10 1.669 -7.947 -7.219 1.00 1.51 C ATOM 1036 C ARG B 10 2.019 -8.179 -5.756 1.00 1.39 C ATOM 1037 O ARG B 10 1.606 -9.170 -5.153 1.00 1.77 O ATOM 1038 CB ARG B 10 2.730 -8.608 -8.093 1.00 1.88 C ATOM 1039 CG ARG B 10 4.095 -7.960 -7.938 1.00 2.02 C ATOM 1040 CD ARG B 10 5.214 -8.877 -8.404 1.00 2.74 C ATOM 1041 NE ARG B 10 6.531 -8.285 -8.183 1.00 2.98 N ATOM 1042 CZ ARG B 10 7.672 -8.927 -8.404 1.00 3.73 C ATOM 1043 NH1 ARG B 10 7.658 -10.173 -8.860 1.00 4.23 N ATOM 1044 NH2 ARG B 10 8.830 -8.325 -8.171 1.00 4.33 N ATOM 0 H ARG B 10 2.203 -6.231 -8.293 1.00 1.72 H new ATOM 0 HA ARG B 10 0.690 -8.380 -7.425 1.00 1.51 H new ATOM 0 HB2 ARG B 10 2.801 -9.665 -7.836 1.00 1.88 H new ATOM 0 HB3 ARG B 10 2.422 -8.554 -9.137 1.00 1.88 H new ATOM 0 HG2 ARG B 10 4.124 -7.033 -8.510 1.00 2.02 H new ATOM 0 HG3 ARG B 10 4.254 -7.695 -6.893 1.00 2.02 H new ATOM 0 HD2 ARG B 10 5.149 -9.827 -7.874 1.00 2.74 H new ATOM 0 HD3 ARG B 10 5.087 -9.095 -9.464 1.00 2.74 H new ATOM 0 HE ARG B 10 6.577 -7.325 -7.840 1.00 2.98 H new ATOM 0 HH11 ARG B 10 6.769 -10.640 -9.042 1.00 4.23 H new ATOM 0 HH12 ARG B 10 8.536 -10.664 -9.029 1.00 4.23 H new ATOM 0 HH21 ARG B 10 8.845 -7.367 -7.821 1.00 4.33 H new ATOM 0 HH22 ARG B 10 9.705 -8.820 -8.341 1.00 4.33 H new ATOM 1058 N LYS B 11 2.785 -7.245 -5.197 1.00 1.29 N ATOM 1059 CA LYS B 11 3.233 -7.315 -3.809 1.00 1.35 C ATOM 1060 C LYS B 11 4.475 -8.189 -3.694 1.00 1.21 C ATOM 1061 O LYS B 11 4.390 -9.416 -3.683 1.00 1.55 O ATOM 1062 CB LYS B 11 2.140 -7.847 -2.883 1.00 1.85 C ATOM 1063 CG LYS B 11 0.788 -7.187 -3.083 1.00 2.93 C ATOM 1064 CD LYS B 11 -0.203 -7.657 -2.035 1.00 3.41 C ATOM 1065 CE LYS B 11 -1.566 -7.008 -2.216 1.00 4.24 C ATOM 1066 NZ LYS B 11 -2.555 -7.501 -1.216 1.00 4.49 N ATOM 0 H LYS B 11 3.113 -6.417 -5.695 1.00 1.29 H new ATOM 0 HA LYS B 11 3.473 -6.299 -3.496 1.00 1.35 H new ATOM 0 HB2 LYS B 11 2.036 -8.921 -3.040 1.00 1.85 H new ATOM 0 HB3 LYS B 11 2.453 -7.705 -1.849 1.00 1.85 H new ATOM 0 HG2 LYS B 11 0.896 -6.104 -3.028 1.00 2.93 H new ATOM 0 HG3 LYS B 11 0.409 -7.419 -4.078 1.00 2.93 H new ATOM 0 HD2 LYS B 11 -0.306 -8.741 -2.092 1.00 3.41 H new ATOM 0 HD3 LYS B 11 0.181 -7.425 -1.042 1.00 3.41 H new ATOM 0 HE2 LYS B 11 -1.468 -5.926 -2.126 1.00 4.24 H new ATOM 0 HE3 LYS B 11 -1.934 -7.212 -3.221 1.00 4.24 H new ATOM 0 HZ1 LYS B 11 -3.258 -6.758 -1.028 1.00 4.49 H new ATOM 0 HZ2 LYS B 11 -3.034 -8.345 -1.589 1.00 4.49 H new ATOM 0 HZ3 LYS B 11 -2.063 -7.744 -0.332 1.00 4.49 H new ATOM 1080 N ALA B 12 5.629 -7.541 -3.611 1.00 0.95 N ATOM 1081 CA ALA B 12 6.902 -8.244 -3.497 1.00 1.15 C ATOM 1082 C ALA B 12 6.854 -9.309 -2.405 1.00 1.48 C ATOM 1083 O ALA B 12 7.611 -10.280 -2.441 1.00 2.05 O ATOM 1084 CB ALA B 12 8.028 -7.257 -3.222 1.00 1.09 C ATOM 0 H ALA B 12 5.711 -6.524 -3.620 1.00 0.95 H new ATOM 0 HA ALA B 12 7.093 -8.746 -4.446 1.00 1.15 H new ATOM 0 HB1 ALA B 12 8.972 -7.796 -3.139 1.00 1.09 H new ATOM 0 HB2 ALA B 12 8.090 -6.539 -4.040 1.00 1.09 H new ATOM 0 HB3 ALA B 12 7.829 -6.729 -2.290 1.00 1.09 H new ATOM 1090 N ASP B 13 5.964 -9.123 -1.435 1.00 1.42 N ATOM 1091 CA ASP B 13 5.825 -10.074 -0.339 1.00 1.79 C ATOM 1092 C ASP B 13 4.511 -10.841 -0.449 1.00 1.88 C ATOM 1093 O ASP B 13 3.762 -10.953 0.521 1.00 2.28 O ATOM 1094 CB ASP B 13 5.893 -9.346 1.006 1.00 2.20 C ATOM 1095 CG ASP B 13 5.880 -10.304 2.182 1.00 3.02 C ATOM 1096 OD1 ASP B 13 6.970 -10.758 2.588 1.00 3.28 O ATOM 1097 OD2 ASP B 13 4.781 -10.599 2.695 1.00 3.80 O ATOM 0 H ASP B 13 5.331 -8.325 -1.386 1.00 1.42 H new ATOM 0 HA ASP B 13 6.648 -10.787 -0.401 1.00 1.79 H new ATOM 0 HB2 ASP B 13 6.799 -8.741 1.043 1.00 2.20 H new ATOM 0 HB3 ASP B 13 5.049 -8.661 1.089 1.00 2.20 H new ATOM 1102 N SER B 14 4.238 -11.371 -1.638 1.00 2.21 N ATOM 1103 CA SER B 14 3.015 -12.127 -1.877 1.00 2.81 C ATOM 1104 C SER B 14 3.121 -13.532 -1.292 1.00 3.10 C ATOM 1105 O SER B 14 3.581 -14.440 -2.017 1.00 3.52 O ATOM 1106 CB SER B 14 2.723 -12.205 -3.376 1.00 3.34 C ATOM 1107 OG SER B 14 3.766 -12.870 -4.067 1.00 3.91 O ATOM 1108 OXT SER B 14 2.742 -13.712 -0.117 1.00 3.46 O ATOM 0 H SER B 14 4.849 -11.290 -2.451 1.00 2.21 H new ATOM 0 HA SER B 14 2.194 -11.608 -1.382 1.00 2.81 H new ATOM 0 HB2 SER B 14 1.782 -12.731 -3.539 1.00 3.34 H new ATOM 0 HB3 SER B 14 2.600 -11.199 -3.778 1.00 3.34 H new ATOM 0 HG SER B 14 3.982 -13.707 -3.606 1.00 3.91 H new TER 1114 SER B 14