USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 718 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 35 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0.134 USER MOD Set 2.2: A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0195) USER MOD Set 3.1: A 1 MET CE :methyl 155:sc= -0.0494 (180deg=-1.3) USER MOD Set 3.2: A 55 MET CE :methyl 124:sc= -0.182 (180deg=-1.09) USER MOD Single : A 0 SER OG : rot 180:sc= 0.0526 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 70:sc= -0.0512 USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= -0.0758 (180deg=-0.684) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.1!) USER MOD Single : A 32 CYS SG : rot 83:sc= -0.926 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.765 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.1!) USER MOD Single : A 51 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.4!) USER MOD Single : A 52 TYR OH : rot 147:sc= -0.272 USER MOD Single : A 56 LYS NZ :NH3+ -104:sc= -0.464 (180deg=-3.89!) USER MOD Single : A 58 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-3.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 SER N :NH3+ 138:sc= 0.0754 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= -1.03 USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.149) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 9.105 -2.598 -42.208 1.00 0.00 N ATOM 2 CA GLY A -8 8.774 -1.125 -42.589 1.00 0.00 C ATOM 3 C GLY A -8 7.430 -0.592 -42.338 1.00 0.00 C ATOM 4 O GLY A -8 6.932 -0.631 -41.226 1.00 0.00 O ATOM 0 H1 GLY A -8 10.094 -2.806 -42.453 1.00 0.00 H new ATOM 0 H2 GLY A -8 8.966 -2.732 -41.186 1.00 0.00 H new ATOM 0 H3 GLY A -8 8.476 -3.241 -42.730 1.00 0.00 H new ATOM 0 HA2 GLY A -8 9.481 -0.486 -42.061 1.00 0.00 H new ATOM 0 HA3 GLY A -8 8.975 -1.011 -43.654 1.00 0.00 H new ATOM 10 N SER A -7 6.791 -0.076 -43.359 1.00 0.00 N ATOM 11 CA SER A -7 5.419 0.486 -43.183 1.00 0.00 C ATOM 12 C SER A -7 4.527 0.024 -44.337 1.00 0.00 C ATOM 13 O SER A -7 4.893 0.129 -45.494 1.00 0.00 O ATOM 14 CB SER A -7 5.495 2.013 -43.179 1.00 0.00 C ATOM 15 OG SER A -7 6.638 2.422 -42.438 1.00 0.00 O ATOM 0 H SER A -7 7.162 -0.020 -44.307 1.00 0.00 H new ATOM 0 HA SER A -7 5.000 0.138 -42.239 1.00 0.00 H new ATOM 0 HB2 SER A -7 5.555 2.389 -44.200 1.00 0.00 H new ATOM 0 HB3 SER A -7 4.591 2.433 -42.738 1.00 0.00 H new ATOM 0 HG SER A -7 6.692 3.400 -42.434 1.00 0.00 H new ATOM 21 N ARG A -6 3.357 -0.486 -44.033 1.00 0.00 N ATOM 22 CA ARG A -6 2.438 -0.956 -45.114 1.00 0.00 C ATOM 23 C ARG A -6 1.402 0.137 -45.432 1.00 0.00 C ATOM 24 O ARG A -6 0.379 -0.130 -46.036 1.00 0.00 O ATOM 25 CB ARG A -6 1.716 -2.233 -44.653 1.00 0.00 C ATOM 26 CG ARG A -6 1.714 -3.263 -45.788 1.00 0.00 C ATOM 27 CD ARG A -6 0.425 -3.129 -46.601 1.00 0.00 C ATOM 28 NE ARG A -6 0.433 -4.120 -47.714 1.00 0.00 N ATOM 29 CZ ARG A -6 0.834 -3.765 -48.903 1.00 0.00 C ATOM 30 NH1 ARG A -6 2.106 -3.599 -49.142 1.00 0.00 N ATOM 31 NH2 ARG A -6 -0.038 -3.573 -49.854 1.00 0.00 N ATOM 0 H ARG A -6 3.001 -0.596 -43.084 1.00 0.00 H new ATOM 0 HA ARG A -6 3.018 -1.169 -46.012 1.00 0.00 H new ATOM 0 HB2 ARG A -6 2.212 -2.646 -43.775 1.00 0.00 H new ATOM 0 HB3 ARG A -6 0.693 -1.998 -44.360 1.00 0.00 H new ATOM 0 HG2 ARG A -6 2.580 -3.110 -46.432 1.00 0.00 H new ATOM 0 HG3 ARG A -6 1.795 -4.270 -45.379 1.00 0.00 H new ATOM 0 HD2 ARG A -6 -0.441 -3.294 -45.960 1.00 0.00 H new ATOM 0 HD3 ARG A -6 0.338 -2.119 -47.000 1.00 0.00 H new ATOM 0 HE ARG A -6 0.124 -5.077 -47.546 1.00 0.00 H new ATOM 0 HH11 ARG A -6 2.788 -3.747 -48.398 1.00 0.00 H new ATOM 0 HH12 ARG A -6 2.418 -3.321 -50.073 1.00 0.00 H new ATOM 0 HH21 ARG A -6 -1.033 -3.701 -49.667 1.00 0.00 H new ATOM 0 HH22 ARG A -6 0.275 -3.295 -50.784 1.00 0.00 H new ATOM 45 N ARG A -5 1.658 1.369 -45.036 1.00 0.00 N ATOM 46 CA ARG A -5 0.688 2.475 -45.325 1.00 0.00 C ATOM 47 C ARG A -5 -0.694 2.131 -44.748 1.00 0.00 C ATOM 48 O ARG A -5 -1.713 2.523 -45.287 1.00 0.00 O ATOM 49 CB ARG A -5 0.576 2.663 -46.839 1.00 0.00 C ATOM 50 CG ARG A -5 1.760 3.494 -47.340 1.00 0.00 C ATOM 51 CD ARG A -5 2.982 2.591 -47.515 1.00 0.00 C ATOM 52 NE ARG A -5 4.009 3.298 -48.332 1.00 0.00 N ATOM 53 CZ ARG A -5 3.928 3.288 -49.635 1.00 0.00 C ATOM 54 NH1 ARG A -5 3.166 4.152 -50.247 1.00 0.00 N ATOM 55 NH2 ARG A -5 4.611 2.414 -50.325 1.00 0.00 N ATOM 0 H ARG A -5 2.495 1.652 -44.527 1.00 0.00 H new ATOM 0 HA ARG A -5 1.045 3.395 -44.863 1.00 0.00 H new ATOM 0 HB2 ARG A -5 0.562 1.693 -47.336 1.00 0.00 H new ATOM 0 HB3 ARG A -5 -0.362 3.161 -47.086 1.00 0.00 H new ATOM 0 HG2 ARG A -5 1.508 3.970 -48.288 1.00 0.00 H new ATOM 0 HG3 ARG A -5 1.983 4.292 -46.632 1.00 0.00 H new ATOM 0 HD2 ARG A -5 3.395 2.327 -46.541 1.00 0.00 H new ATOM 0 HD3 ARG A -5 2.693 1.660 -48.002 1.00 0.00 H new ATOM 0 HE ARG A -5 4.776 3.790 -47.873 1.00 0.00 H new ATOM 0 HH11 ARG A -5 2.634 4.835 -49.708 1.00 0.00 H new ATOM 0 HH12 ARG A -5 3.102 4.145 -51.265 1.00 0.00 H new ATOM 0 HH21 ARG A -5 5.207 1.739 -49.846 1.00 0.00 H new ATOM 0 HH22 ARG A -5 4.548 2.406 -51.343 1.00 0.00 H new ATOM 69 N ALA A -4 -0.733 1.402 -43.657 1.00 0.00 N ATOM 70 CA ALA A -4 -2.047 1.034 -43.045 1.00 0.00 C ATOM 71 C ALA A -4 -2.330 1.936 -41.837 1.00 0.00 C ATOM 72 O ALA A -4 -3.042 1.559 -40.927 1.00 0.00 O ATOM 73 CB ALA A -4 -2.004 -0.427 -42.589 1.00 0.00 C ATOM 0 H ALA A -4 0.088 1.047 -43.166 1.00 0.00 H new ATOM 0 HA ALA A -4 -2.837 1.165 -43.785 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -2.961 -0.697 -42.143 1.00 0.00 H new ATOM 0 HB2 ALA A -4 -1.809 -1.070 -43.447 1.00 0.00 H new ATOM 0 HB3 ALA A -4 -1.211 -0.555 -41.852 1.00 0.00 H new ATOM 79 N SER A -3 -1.779 3.129 -41.828 1.00 0.00 N ATOM 80 CA SER A -3 -2.012 4.069 -40.688 1.00 0.00 C ATOM 81 C SER A -3 -1.530 3.429 -39.366 1.00 0.00 C ATOM 82 O SER A -3 -0.384 3.584 -38.985 1.00 0.00 O ATOM 83 CB SER A -3 -3.506 4.412 -40.608 1.00 0.00 C ATOM 84 OG SER A -3 -3.803 5.445 -41.537 1.00 0.00 O ATOM 0 H SER A -3 -1.175 3.491 -42.566 1.00 0.00 H new ATOM 0 HA SER A -3 -1.446 4.986 -40.851 1.00 0.00 H new ATOM 0 HB2 SER A -3 -4.106 3.528 -40.826 1.00 0.00 H new ATOM 0 HB3 SER A -3 -3.764 4.731 -39.598 1.00 0.00 H new ATOM 0 HG SER A -3 -4.757 5.664 -41.489 1.00 0.00 H new ATOM 90 N VAL A -2 -2.390 2.714 -38.664 1.00 0.00 N ATOM 91 CA VAL A -2 -1.971 2.079 -37.381 1.00 0.00 C ATOM 92 C VAL A -2 -2.686 0.733 -37.234 1.00 0.00 C ATOM 93 O VAL A -2 -3.665 0.465 -37.907 1.00 0.00 O ATOM 94 CB VAL A -2 -2.347 3.001 -36.213 1.00 0.00 C ATOM 95 CG1 VAL A -2 -1.888 2.380 -34.890 1.00 0.00 C ATOM 96 CG2 VAL A -2 -1.662 4.359 -36.401 1.00 0.00 C ATOM 0 H VAL A -2 -3.360 2.548 -38.931 1.00 0.00 H new ATOM 0 HA VAL A -2 -0.893 1.919 -37.378 1.00 0.00 H new ATOM 0 HB VAL A -2 -3.429 3.132 -36.191 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -2.158 3.040 -34.065 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -2.372 1.413 -34.755 1.00 0.00 H new ATOM 0 HG13 VAL A -2 -0.807 2.245 -34.907 1.00 0.00 H new ATOM 0 HG21 VAL A -2 -1.926 5.017 -35.574 1.00 0.00 H new ATOM 0 HG22 VAL A -2 -0.581 4.221 -36.424 1.00 0.00 H new ATOM 0 HG23 VAL A -2 -1.991 4.806 -37.339 1.00 0.00 H new ATOM 106 N GLY A -1 -2.199 -0.117 -36.360 1.00 0.00 N ATOM 107 CA GLY A -1 -2.847 -1.448 -36.169 1.00 0.00 C ATOM 108 C GLY A -1 -2.601 -1.943 -34.742 1.00 0.00 C ATOM 109 O GLY A -1 -1.801 -2.832 -34.514 1.00 0.00 O ATOM 0 H GLY A -1 -1.383 0.056 -35.773 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -3.918 -1.372 -36.358 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -2.447 -2.164 -36.886 1.00 0.00 H new ATOM 113 N SER A 0 -3.291 -1.377 -33.781 1.00 0.00 N ATOM 114 CA SER A 0 -3.111 -1.816 -32.364 1.00 0.00 C ATOM 115 C SER A 0 -4.044 -2.993 -32.083 1.00 0.00 C ATOM 116 O SER A 0 -4.955 -3.270 -32.843 1.00 0.00 O ATOM 117 CB SER A 0 -3.449 -0.660 -31.413 1.00 0.00 C ATOM 118 OG SER A 0 -4.496 0.123 -31.977 1.00 0.00 O ATOM 0 H SER A 0 -3.971 -0.629 -33.918 1.00 0.00 H new ATOM 0 HA SER A 0 -2.075 -2.117 -32.207 1.00 0.00 H new ATOM 0 HB2 SER A 0 -3.754 -1.050 -30.442 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.567 -0.042 -31.246 1.00 0.00 H new ATOM 0 HG SER A 0 -4.715 0.861 -31.371 1.00 0.00 H new ATOM 124 N MET A 1 -3.832 -3.675 -30.990 1.00 0.00 N ATOM 125 CA MET A 1 -4.706 -4.827 -30.635 1.00 0.00 C ATOM 126 C MET A 1 -5.453 -4.504 -29.370 1.00 0.00 C ATOM 127 O MET A 1 -5.380 -3.397 -28.866 1.00 0.00 O ATOM 128 CB MET A 1 -3.863 -6.082 -30.426 1.00 0.00 C ATOM 129 CG MET A 1 -3.731 -6.819 -31.747 1.00 0.00 C ATOM 130 SD MET A 1 -2.249 -7.856 -31.719 1.00 0.00 S ATOM 131 CE MET A 1 -3.008 -9.351 -32.398 1.00 0.00 C ATOM 0 H MET A 1 -3.085 -3.481 -30.324 1.00 0.00 H new ATOM 0 HA MET A 1 -5.411 -5.009 -31.446 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.878 -5.814 -30.045 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.328 -6.727 -29.681 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.614 -7.434 -31.922 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.672 -6.105 -32.569 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.243 -9.962 -32.878 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.475 -9.920 -31.594 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.764 -9.074 -33.132 1.00 0.00 H new ATOM 141 N GLU A 2 -6.172 -5.456 -28.840 1.00 0.00 N ATOM 142 CA GLU A 2 -6.912 -5.210 -27.616 1.00 0.00 C ATOM 143 C GLU A 2 -6.489 -6.251 -26.615 1.00 0.00 C ATOM 144 O GLU A 2 -5.709 -7.133 -26.917 1.00 0.00 O ATOM 145 CB GLU A 2 -8.408 -5.340 -27.907 1.00 0.00 C ATOM 146 CG GLU A 2 -9.153 -4.114 -27.381 1.00 0.00 C ATOM 147 CD GLU A 2 -10.538 -4.043 -28.026 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.604 -3.769 -29.214 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.510 -4.264 -27.321 1.00 0.00 O ATOM 0 H GLU A 2 -6.266 -6.397 -29.223 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.715 -4.211 -27.227 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.570 -5.441 -28.980 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.801 -6.243 -27.439 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.248 -4.170 -26.297 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.589 -3.209 -27.605 1.00 0.00 H new ATOM 156 N ALA A 3 -6.999 -6.161 -25.444 1.00 0.00 N ATOM 157 CA ALA A 3 -6.653 -7.151 -24.400 1.00 0.00 C ATOM 158 C ALA A 3 -7.742 -7.203 -23.348 1.00 0.00 C ATOM 159 O ALA A 3 -8.007 -6.246 -22.656 1.00 0.00 O ATOM 160 CB ALA A 3 -5.347 -6.787 -23.767 1.00 0.00 C ATOM 0 H ALA A 3 -7.653 -5.435 -25.151 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.564 -8.134 -24.861 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.098 -7.520 -22.999 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.565 -6.777 -24.526 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.425 -5.799 -23.314 1.00 0.00 H new ATOM 166 N ILE A 4 -8.380 -8.320 -23.242 1.00 0.00 N ATOM 167 CA ILE A 4 -9.486 -8.490 -22.269 1.00 0.00 C ATOM 168 C ILE A 4 -9.009 -8.329 -20.850 1.00 0.00 C ATOM 169 O ILE A 4 -8.228 -9.111 -20.352 1.00 0.00 O ATOM 170 CB ILE A 4 -10.087 -9.880 -22.441 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.096 -10.169 -21.308 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.987 -10.936 -22.433 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.335 -10.755 -21.898 1.00 0.00 C ATOM 0 H ILE A 4 -8.179 -9.148 -23.803 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.232 -7.719 -22.463 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.607 -9.916 -23.398 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.662 -10.858 -20.584 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.333 -9.250 -20.771 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.430 -11.924 -22.557 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.293 -10.745 -23.251 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.450 -10.895 -21.485 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.053 -10.962 -21.105 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.770 -10.049 -22.606 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.088 -11.682 -22.415 1.00 0.00 H new ATOM 185 N ALA A 5 -9.549 -7.368 -20.182 1.00 0.00 N ATOM 186 CA ALA A 5 -9.207 -7.185 -18.736 1.00 0.00 C ATOM 187 C ALA A 5 -9.854 -8.358 -17.981 1.00 0.00 C ATOM 188 O ALA A 5 -11.062 -8.498 -17.967 1.00 0.00 O ATOM 189 CB ALA A 5 -9.776 -5.866 -18.212 1.00 0.00 C ATOM 0 H ALA A 5 -10.214 -6.694 -20.562 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.126 -7.161 -18.596 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.517 -5.751 -17.159 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.356 -5.037 -18.782 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.861 -5.869 -18.321 1.00 0.00 H new ATOM 195 N LYS A 6 -9.066 -9.224 -17.399 1.00 0.00 N ATOM 196 CA LYS A 6 -9.636 -10.411 -16.694 1.00 0.00 C ATOM 197 C LYS A 6 -10.267 -10.010 -15.353 1.00 0.00 C ATOM 198 O LYS A 6 -11.111 -10.713 -14.832 1.00 0.00 O ATOM 199 CB LYS A 6 -8.524 -11.413 -16.423 1.00 0.00 C ATOM 200 CG LYS A 6 -7.847 -11.780 -17.736 1.00 0.00 C ATOM 201 CD LYS A 6 -6.494 -12.432 -17.455 1.00 0.00 C ATOM 202 CE LYS A 6 -6.693 -13.737 -16.676 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.537 -14.644 -16.924 1.00 0.00 N ATOM 0 H LYS A 6 -8.048 -9.160 -17.381 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.406 -10.847 -17.330 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.796 -10.988 -15.732 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.931 -12.306 -15.948 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.479 -12.463 -18.304 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.711 -10.888 -18.348 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.977 -12.634 -18.393 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.864 -11.750 -16.884 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.782 -13.527 -15.610 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.620 -14.220 -16.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.671 -15.530 -16.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.472 -14.854 -17.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.660 -14.183 -16.609 1.00 0.00 H new ATOM 217 N TYR A 7 -9.848 -8.906 -14.775 1.00 0.00 N ATOM 218 CA TYR A 7 -10.414 -8.491 -13.442 1.00 0.00 C ATOM 219 C TYR A 7 -10.411 -6.980 -13.315 1.00 0.00 C ATOM 220 O TYR A 7 -10.108 -6.257 -14.245 1.00 0.00 O ATOM 221 CB TYR A 7 -9.561 -9.071 -12.297 1.00 0.00 C ATOM 222 CG TYR A 7 -9.152 -10.492 -12.598 1.00 0.00 C ATOM 223 CD1 TYR A 7 -10.058 -11.541 -12.427 1.00 0.00 C ATOM 224 CD2 TYR A 7 -7.860 -10.750 -13.051 1.00 0.00 C ATOM 225 CE1 TYR A 7 -9.665 -12.856 -12.711 1.00 0.00 C ATOM 226 CE2 TYR A 7 -7.463 -12.057 -13.337 1.00 0.00 C ATOM 227 CZ TYR A 7 -8.366 -13.114 -13.167 1.00 0.00 C ATOM 228 OH TYR A 7 -7.977 -14.408 -13.449 1.00 0.00 O ATOM 0 H TYR A 7 -9.145 -8.277 -15.163 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.434 -8.869 -13.378 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.673 -8.456 -12.152 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.126 -9.040 -11.365 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.059 -11.339 -12.077 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.163 -9.935 -13.181 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -10.363 -13.669 -12.578 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.461 -12.253 -13.689 1.00 0.00 H new ATOM 0 HH TYR A 7 -8.754 -14.926 -13.745 1.00 0.00 H new ATOM 238 N ASP A 8 -10.750 -6.510 -12.153 1.00 0.00 N ATOM 239 CA ASP A 8 -10.786 -5.053 -11.897 1.00 0.00 C ATOM 240 C ASP A 8 -9.377 -4.563 -11.542 1.00 0.00 C ATOM 241 O ASP A 8 -8.491 -5.341 -11.252 1.00 0.00 O ATOM 242 CB ASP A 8 -11.724 -4.800 -10.721 1.00 0.00 C ATOM 243 CG ASP A 8 -12.956 -4.013 -11.176 1.00 0.00 C ATOM 244 OD1 ASP A 8 -12.843 -2.806 -11.318 1.00 0.00 O ATOM 245 OD2 ASP A 8 -13.993 -4.628 -11.362 1.00 0.00 O ATOM 0 H ASP A 8 -11.009 -7.089 -11.354 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.136 -4.521 -12.781 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.033 -5.750 -10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.199 -4.247 -9.942 1.00 0.00 H new ATOM 250 N PHE A 9 -9.187 -3.272 -11.544 1.00 0.00 N ATOM 251 CA PHE A 9 -7.854 -2.681 -11.196 1.00 0.00 C ATOM 252 C PHE A 9 -7.890 -1.171 -11.462 1.00 0.00 C ATOM 253 O PHE A 9 -8.861 -0.647 -11.976 1.00 0.00 O ATOM 254 CB PHE A 9 -6.734 -3.321 -12.053 1.00 0.00 C ATOM 255 CG PHE A 9 -5.564 -3.702 -11.164 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.790 -4.421 -9.984 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.262 -3.333 -11.519 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.716 -4.771 -9.158 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.186 -3.684 -10.692 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.414 -4.403 -9.512 1.00 0.00 C ATOM 0 H PHE A 9 -9.907 -2.588 -11.775 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.646 -2.875 -10.144 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.115 -4.203 -12.567 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.406 -2.621 -12.822 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.795 -4.706 -9.711 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.086 -2.778 -12.429 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.892 -5.325 -8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.180 -3.400 -10.965 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.584 -4.673 -8.875 1.00 0.00 H new ATOM 270 N LYS A 10 -6.837 -0.470 -11.111 1.00 0.00 N ATOM 271 CA LYS A 10 -6.806 1.005 -11.338 1.00 0.00 C ATOM 272 C LYS A 10 -5.401 1.463 -11.669 1.00 0.00 C ATOM 273 O LYS A 10 -4.465 0.682 -11.700 1.00 0.00 O ATOM 274 CB LYS A 10 -7.327 1.722 -10.081 1.00 0.00 C ATOM 275 CG LYS A 10 -6.349 1.529 -8.907 1.00 0.00 C ATOM 276 CD LYS A 10 -7.129 1.207 -7.623 1.00 0.00 C ATOM 277 CE LYS A 10 -7.268 2.471 -6.771 1.00 0.00 C ATOM 278 NZ LYS A 10 -8.608 3.083 -7.003 1.00 0.00 N ATOM 0 H LYS A 10 -5.999 -0.858 -10.677 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.447 1.253 -12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.452 2.785 -10.287 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.309 1.331 -9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.652 0.721 -9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.755 2.432 -8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.115 0.816 -7.874 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.613 0.431 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.146 2.226 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.483 3.182 -7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.702 3.942 -6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.707 3.330 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.350 2.404 -6.739 1.00 0.00 H new ATOM 292 N ALA A 11 -5.255 2.733 -11.924 1.00 0.00 N ATOM 293 CA ALA A 11 -3.927 3.267 -12.265 1.00 0.00 C ATOM 294 C ALA A 11 -3.122 3.436 -10.973 1.00 0.00 C ATOM 295 O ALA A 11 -3.614 3.970 -9.996 1.00 0.00 O ATOM 296 CB ALA A 11 -4.068 4.616 -12.961 1.00 0.00 C ATOM 0 H ALA A 11 -6.009 3.420 -11.908 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.416 2.579 -12.938 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.079 5.003 -13.209 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.650 4.495 -13.875 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.575 5.316 -12.298 1.00 0.00 H new ATOM 302 N THR A 12 -1.898 2.983 -10.957 1.00 0.00 N ATOM 303 CA THR A 12 -1.062 3.111 -9.722 1.00 0.00 C ATOM 304 C THR A 12 0.129 4.026 -10.005 1.00 0.00 C ATOM 305 O THR A 12 1.244 3.765 -9.593 1.00 0.00 O ATOM 306 CB THR A 12 -0.563 1.726 -9.297 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.184 0.988 -10.448 1.00 0.00 O ATOM 308 CG2 THR A 12 -1.680 0.986 -8.558 1.00 0.00 C ATOM 0 H THR A 12 -1.437 2.529 -11.745 1.00 0.00 H new ATOM 0 HA THR A 12 -1.661 3.539 -8.918 1.00 0.00 H new ATOM 0 HB THR A 12 0.297 1.835 -8.636 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.635 1.370 -10.827 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.325 0.001 -8.255 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.970 1.554 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.541 0.875 -9.217 1.00 0.00 H new ATOM 316 N ALA A 13 -0.107 5.103 -10.712 1.00 0.00 N ATOM 317 CA ALA A 13 0.994 6.060 -11.040 1.00 0.00 C ATOM 318 C ALA A 13 0.454 7.160 -11.915 1.00 0.00 C ATOM 319 O ALA A 13 -0.680 7.128 -12.363 1.00 0.00 O ATOM 320 CB ALA A 13 2.120 5.342 -11.789 1.00 0.00 C ATOM 0 H ALA A 13 -1.023 5.362 -11.079 1.00 0.00 H new ATOM 0 HA ALA A 13 1.387 6.473 -10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.914 6.052 -12.021 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.519 4.542 -11.166 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.730 4.920 -12.715 1.00 0.00 H new ATOM 326 N ASP A 14 1.263 8.136 -12.156 1.00 0.00 N ATOM 327 CA ASP A 14 0.851 9.272 -12.996 1.00 0.00 C ATOM 328 C ASP A 14 0.838 8.866 -14.479 1.00 0.00 C ATOM 329 O ASP A 14 0.420 9.631 -15.329 1.00 0.00 O ATOM 330 CB ASP A 14 1.842 10.382 -12.766 1.00 0.00 C ATOM 331 CG ASP A 14 1.205 11.729 -13.116 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.180 12.045 -12.536 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.752 12.420 -13.959 1.00 0.00 O ATOM 0 H ASP A 14 2.216 8.195 -11.797 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.157 9.596 -12.735 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.166 10.382 -11.725 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.731 10.220 -13.376 1.00 0.00 H new ATOM 338 N ASP A 15 1.288 7.667 -14.796 1.00 0.00 N ATOM 339 CA ASP A 15 1.298 7.218 -16.186 1.00 0.00 C ATOM 340 C ASP A 15 0.732 5.796 -16.266 1.00 0.00 C ATOM 341 O ASP A 15 1.092 5.021 -17.140 1.00 0.00 O ATOM 342 CB ASP A 15 2.731 7.241 -16.715 1.00 0.00 C ATOM 343 CG ASP A 15 2.734 7.719 -18.171 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.830 8.917 -18.380 1.00 0.00 O ATOM 345 OD2 ASP A 15 2.640 6.878 -19.049 1.00 0.00 O ATOM 0 H ASP A 15 1.648 6.990 -14.124 1.00 0.00 H new ATOM 0 HA ASP A 15 0.682 7.882 -16.792 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.345 7.902 -16.103 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.170 6.246 -16.648 1.00 0.00 H new ATOM 350 N GLU A 16 -0.158 5.447 -15.361 1.00 0.00 N ATOM 351 CA GLU A 16 -0.748 4.091 -15.387 1.00 0.00 C ATOM 352 C GLU A 16 -2.188 4.195 -15.887 1.00 0.00 C ATOM 353 O GLU A 16 -2.709 5.282 -16.072 1.00 0.00 O ATOM 354 CB GLU A 16 -0.702 3.490 -13.980 1.00 0.00 C ATOM 355 CG GLU A 16 -0.865 1.964 -14.067 1.00 0.00 C ATOM 356 CD GLU A 16 0.161 1.247 -13.164 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.913 1.921 -12.476 1.00 0.00 O ATOM 358 OE2 GLU A 16 0.174 0.026 -13.183 1.00 0.00 O ATOM 0 H GLU A 16 -0.493 6.052 -14.611 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.184 3.441 -16.056 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.244 3.738 -13.498 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.495 3.916 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.875 1.685 -13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.736 1.639 -15.099 1.00 0.00 H new ATOM 365 N LEU A 17 -2.826 3.081 -16.137 1.00 0.00 N ATOM 366 CA LEU A 17 -4.220 3.117 -16.659 1.00 0.00 C ATOM 367 C LEU A 17 -5.145 2.281 -15.769 1.00 0.00 C ATOM 368 O LEU A 17 -4.775 1.238 -15.267 1.00 0.00 O ATOM 369 CB LEU A 17 -4.209 2.577 -18.101 1.00 0.00 C ATOM 370 CG LEU A 17 -5.627 2.526 -18.678 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.158 3.946 -18.853 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.600 1.820 -20.044 1.00 0.00 C ATOM 0 H LEU A 17 -2.439 2.147 -16.001 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.597 4.140 -16.654 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.581 3.211 -18.726 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.770 1.579 -18.116 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.276 1.976 -17.996 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.167 3.909 -19.264 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.178 4.449 -17.886 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.509 4.496 -19.534 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.609 1.784 -20.455 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.951 2.370 -20.725 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.221 0.805 -19.922 1.00 0.00 H new ATOM 384 N SER A 18 -6.352 2.755 -15.575 1.00 0.00 N ATOM 385 CA SER A 18 -7.328 2.034 -14.727 1.00 0.00 C ATOM 386 C SER A 18 -8.280 1.223 -15.604 1.00 0.00 C ATOM 387 O SER A 18 -8.371 1.437 -16.798 1.00 0.00 O ATOM 388 CB SER A 18 -8.117 3.044 -13.946 1.00 0.00 C ATOM 389 OG SER A 18 -7.269 4.121 -13.568 1.00 0.00 O ATOM 0 H SER A 18 -6.699 3.625 -15.979 1.00 0.00 H new ATOM 0 HA SER A 18 -6.802 1.358 -14.053 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.948 3.415 -14.546 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.547 2.578 -13.060 1.00 0.00 H new ATOM 0 HG SER A 18 -7.785 4.781 -13.060 1.00 0.00 H new ATOM 395 N PHE A 19 -9.002 0.304 -15.012 1.00 0.00 N ATOM 396 CA PHE A 19 -9.969 -0.519 -15.795 1.00 0.00 C ATOM 397 C PHE A 19 -10.714 -1.467 -14.845 1.00 0.00 C ATOM 398 O PHE A 19 -10.303 -1.682 -13.718 1.00 0.00 O ATOM 399 CB PHE A 19 -9.223 -1.324 -16.879 1.00 0.00 C ATOM 400 CG PHE A 19 -8.237 -2.281 -16.245 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.690 -3.485 -15.697 1.00 0.00 C ATOM 402 CD2 PHE A 19 -6.873 -1.966 -16.214 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.780 -4.376 -15.115 1.00 0.00 C ATOM 404 CE2 PHE A 19 -5.963 -2.857 -15.632 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.416 -4.061 -15.083 1.00 0.00 C ATOM 0 H PHE A 19 -8.961 0.089 -14.016 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.689 0.136 -16.286 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.939 -1.879 -17.485 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.698 -0.643 -17.549 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.742 -3.728 -15.723 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.523 -1.037 -16.639 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.130 -5.306 -14.691 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.911 -2.614 -15.607 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.714 -4.748 -14.634 1.00 0.00 H new ATOM 415 N LYS A 20 -11.809 -2.022 -15.290 1.00 0.00 N ATOM 416 CA LYS A 20 -12.599 -2.941 -14.427 1.00 0.00 C ATOM 417 C LYS A 20 -12.577 -4.349 -15.000 1.00 0.00 C ATOM 418 O LYS A 20 -11.965 -4.616 -16.016 1.00 0.00 O ATOM 419 CB LYS A 20 -14.048 -2.454 -14.378 1.00 0.00 C ATOM 420 CG LYS A 20 -14.089 -0.963 -14.016 1.00 0.00 C ATOM 421 CD LYS A 20 -14.835 -0.764 -12.692 1.00 0.00 C ATOM 422 CE LYS A 20 -16.342 -0.729 -12.955 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.908 -2.092 -12.752 1.00 0.00 N ATOM 0 H LYS A 20 -12.192 -1.875 -16.224 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.165 -2.952 -13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.527 -2.616 -15.344 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.609 -3.031 -13.643 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.075 -0.573 -13.933 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.583 -0.401 -14.809 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.594 -1.573 -12.002 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.516 0.165 -12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.824 -0.019 -12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.538 -0.389 -13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.931 -2.021 -12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.742 -2.667 -13.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.447 -2.541 -11.935 1.00 0.00 H new ATOM 437 N ARG A 21 -13.257 -5.244 -14.346 1.00 0.00 N ATOM 438 CA ARG A 21 -13.324 -6.647 -14.811 1.00 0.00 C ATOM 439 C ARG A 21 -14.186 -6.724 -16.069 1.00 0.00 C ATOM 440 O ARG A 21 -15.389 -6.537 -16.021 1.00 0.00 O ATOM 441 CB ARG A 21 -13.956 -7.473 -13.713 1.00 0.00 C ATOM 442 CG ARG A 21 -13.831 -8.951 -14.035 1.00 0.00 C ATOM 443 CD ARG A 21 -13.801 -9.722 -12.726 1.00 0.00 C ATOM 444 NE ARG A 21 -13.491 -11.156 -12.991 1.00 0.00 N ATOM 445 CZ ARG A 21 -14.383 -12.074 -12.738 1.00 0.00 C ATOM 446 NH1 ARG A 21 -15.069 -12.031 -11.630 1.00 0.00 N ATOM 447 NH2 ARG A 21 -14.588 -13.036 -13.596 1.00 0.00 N ATOM 0 H ARG A 21 -13.779 -5.055 -13.491 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.327 -7.021 -15.041 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.471 -7.258 -12.761 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.007 -7.204 -13.604 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.670 -9.278 -14.650 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.923 -9.140 -14.608 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.051 -9.296 -12.059 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.763 -9.636 -12.221 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.581 -11.419 -13.370 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.909 -11.279 -10.960 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.766 -12.749 -11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.051 -13.069 -14.463 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.285 -13.754 -13.400 1.00 0.00 H new ATOM 461 N GLY A 22 -13.580 -6.987 -17.195 1.00 0.00 N ATOM 462 CA GLY A 22 -14.353 -7.070 -18.469 1.00 0.00 C ATOM 463 C GLY A 22 -14.104 -5.810 -19.318 1.00 0.00 C ATOM 464 O GLY A 22 -14.675 -5.656 -20.384 1.00 0.00 O ATOM 0 H GLY A 22 -12.577 -7.149 -17.288 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.057 -7.959 -19.026 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.417 -7.169 -18.253 1.00 0.00 H new ATOM 468 N ASP A 23 -13.256 -4.907 -18.856 1.00 0.00 N ATOM 469 CA ASP A 23 -12.971 -3.701 -19.597 1.00 0.00 C ATOM 470 C ASP A 23 -11.791 -3.962 -20.511 1.00 0.00 C ATOM 471 O ASP A 23 -10.654 -3.778 -20.121 1.00 0.00 O ATOM 472 CB ASP A 23 -12.607 -2.612 -18.607 1.00 0.00 C ATOM 473 CG ASP A 23 -13.811 -1.697 -18.365 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.415 -1.277 -19.338 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.108 -1.432 -17.214 1.00 0.00 O ATOM 0 H ASP A 23 -12.756 -4.991 -17.971 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.834 -3.397 -20.189 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.284 -3.058 -17.666 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.768 -2.029 -18.988 1.00 0.00 H new ATOM 480 N ILE A 24 -12.039 -4.396 -21.709 1.00 0.00 N ATOM 481 CA ILE A 24 -10.910 -4.678 -22.638 1.00 0.00 C ATOM 482 C ILE A 24 -10.227 -3.360 -22.998 1.00 0.00 C ATOM 483 O ILE A 24 -10.869 -2.375 -23.309 1.00 0.00 O ATOM 484 CB ILE A 24 -11.404 -5.401 -23.896 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.447 -6.486 -23.486 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.185 -6.050 -24.571 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.659 -7.509 -24.609 1.00 0.00 C ATOM 0 H ILE A 24 -12.970 -4.568 -22.088 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.192 -5.336 -22.148 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.883 -4.708 -24.587 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.108 -6.997 -22.585 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.396 -6.008 -23.243 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.504 -6.574 -25.472 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.462 -5.278 -24.837 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.723 -6.759 -23.884 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.391 -8.251 -24.292 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.022 -6.999 -25.502 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.714 -8.004 -24.833 1.00 0.00 H new ATOM 499 N LEU A 25 -8.925 -3.333 -22.913 1.00 0.00 N ATOM 500 CA LEU A 25 -8.162 -2.085 -23.196 1.00 0.00 C ATOM 501 C LEU A 25 -7.614 -2.109 -24.630 1.00 0.00 C ATOM 502 O LEU A 25 -7.574 -3.146 -25.273 1.00 0.00 O ATOM 503 CB LEU A 25 -7.007 -1.987 -22.190 1.00 0.00 C ATOM 504 CG LEU A 25 -7.562 -2.124 -20.758 1.00 0.00 C ATOM 505 CD1 LEU A 25 -7.617 -3.602 -20.353 1.00 0.00 C ATOM 506 CD2 LEU A 25 -6.658 -1.371 -19.783 1.00 0.00 C ATOM 0 H LEU A 25 -8.350 -4.135 -22.656 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.817 -1.219 -23.099 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.274 -2.770 -22.384 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.492 -1.033 -22.303 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.568 -1.704 -20.729 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.010 -3.687 -19.340 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.266 -4.144 -21.041 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.614 -4.027 -20.390 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.052 -1.469 -18.772 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.652 -1.789 -19.823 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.624 -0.317 -20.058 1.00 0.00 H new ATOM 518 N LYS A 26 -7.189 -0.963 -25.136 1.00 0.00 N ATOM 519 CA LYS A 26 -6.642 -0.913 -26.546 1.00 0.00 C ATOM 520 C LYS A 26 -5.116 -0.818 -26.496 1.00 0.00 C ATOM 521 O LYS A 26 -4.568 0.245 -26.320 1.00 0.00 O ATOM 522 CB LYS A 26 -7.196 0.321 -27.267 1.00 0.00 C ATOM 523 CG LYS A 26 -8.701 0.149 -27.512 1.00 0.00 C ATOM 524 CD LYS A 26 -8.939 -0.342 -28.946 1.00 0.00 C ATOM 525 CE LYS A 26 -10.189 0.333 -29.521 1.00 0.00 C ATOM 526 NZ LYS A 26 -9.788 1.543 -30.295 1.00 0.00 N ATOM 0 H LYS A 26 -7.196 -0.071 -24.642 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.939 -1.815 -27.080 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.016 1.214 -26.669 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.678 0.462 -28.215 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.116 -0.564 -26.800 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.216 1.096 -27.352 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.073 -0.115 -29.567 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.062 -1.425 -28.954 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.727 -0.362 -30.165 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.868 0.612 -28.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.636 2.002 -30.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.292 2.208 -29.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.156 1.264 -31.072 1.00 0.00 H new ATOM 540 N VAL A 27 -4.425 -1.922 -26.643 1.00 0.00 N ATOM 541 CA VAL A 27 -2.934 -1.889 -26.575 1.00 0.00 C ATOM 542 C VAL A 27 -2.360 -0.999 -27.677 1.00 0.00 C ATOM 543 O VAL A 27 -2.267 -1.387 -28.827 1.00 0.00 O ATOM 544 CB VAL A 27 -2.380 -3.315 -26.699 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.845 -3.296 -26.567 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.978 -4.181 -25.581 1.00 0.00 C ATOM 0 H VAL A 27 -4.831 -2.843 -26.807 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.636 -1.470 -25.614 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.648 -3.726 -27.673 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.460 -4.312 -26.656 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.420 -2.676 -27.356 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.568 -2.887 -25.595 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.590 -5.197 -25.661 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.705 -3.763 -24.612 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.064 -4.199 -25.676 1.00 0.00 H new ATOM 556 N LEU A 28 -1.942 0.185 -27.311 1.00 0.00 N ATOM 557 CA LEU A 28 -1.331 1.115 -28.292 1.00 0.00 C ATOM 558 C LEU A 28 0.150 0.750 -28.423 1.00 0.00 C ATOM 559 O LEU A 28 0.772 1.015 -29.436 1.00 0.00 O ATOM 560 CB LEU A 28 -1.424 2.600 -27.820 1.00 0.00 C ATOM 561 CG LEU A 28 -2.659 2.855 -26.912 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.188 3.260 -25.500 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.517 3.989 -27.510 1.00 0.00 C ATOM 0 H LEU A 28 -2.001 0.547 -26.359 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.865 1.022 -29.238 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.516 2.864 -27.277 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.476 3.253 -28.691 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.254 1.944 -26.850 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.055 3.439 -24.864 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.585 2.458 -25.074 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.591 4.170 -25.563 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.382 4.166 -26.871 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.922 4.900 -27.575 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.854 3.704 -28.507 1.00 0.00 H new ATOM 575 N ASN A 29 0.730 0.147 -27.391 1.00 0.00 N ATOM 576 CA ASN A 29 2.179 -0.216 -27.469 1.00 0.00 C ATOM 577 C ASN A 29 2.474 -1.486 -26.660 1.00 0.00 C ATOM 578 O ASN A 29 1.882 -1.738 -25.622 1.00 0.00 O ATOM 579 CB ASN A 29 3.023 0.934 -26.920 1.00 0.00 C ATOM 580 CG ASN A 29 4.432 0.859 -27.508 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.601 0.552 -28.672 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.459 1.128 -26.749 1.00 0.00 N ATOM 0 H ASN A 29 0.263 -0.101 -26.519 1.00 0.00 H new ATOM 0 HA ASN A 29 2.429 -0.402 -28.514 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.563 1.889 -27.172 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.068 0.879 -25.832 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.403 1.081 -27.133 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.318 1.386 -25.772 1.00 0.00 H new ATOM 589 N GLU A 30 3.410 -2.273 -27.132 1.00 0.00 N ATOM 590 CA GLU A 30 3.798 -3.526 -26.417 1.00 0.00 C ATOM 591 C GLU A 30 5.132 -3.297 -25.724 1.00 0.00 C ATOM 592 O GLU A 30 5.638 -2.192 -25.691 1.00 0.00 O ATOM 593 CB GLU A 30 3.928 -4.678 -27.415 1.00 0.00 C ATOM 594 CG GLU A 30 4.842 -4.253 -28.550 1.00 0.00 C ATOM 595 CD GLU A 30 5.637 -5.461 -29.052 1.00 0.00 C ATOM 596 OE1 GLU A 30 6.194 -6.163 -28.224 1.00 0.00 O ATOM 597 OE2 GLU A 30 5.675 -5.662 -30.255 1.00 0.00 O ATOM 0 H GLU A 30 3.927 -2.097 -27.993 1.00 0.00 H new ATOM 0 HA GLU A 30 3.034 -3.783 -25.683 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.331 -5.561 -26.919 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.947 -4.950 -27.804 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.254 -3.829 -29.364 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.523 -3.473 -28.209 1.00 0.00 H new ATOM 604 N GLU A 31 5.703 -4.330 -25.159 1.00 0.00 N ATOM 605 CA GLU A 31 7.021 -4.176 -24.444 1.00 0.00 C ATOM 606 C GLU A 31 6.793 -3.353 -23.188 1.00 0.00 C ATOM 607 O GLU A 31 5.678 -3.222 -22.731 1.00 0.00 O ATOM 608 CB GLU A 31 8.056 -3.471 -25.360 1.00 0.00 C ATOM 609 CG GLU A 31 8.022 -4.093 -26.759 1.00 0.00 C ATOM 610 CD GLU A 31 9.423 -4.052 -27.369 1.00 0.00 C ATOM 611 OE1 GLU A 31 10.343 -4.527 -26.723 1.00 0.00 O ATOM 612 OE2 GLU A 31 9.553 -3.545 -28.471 1.00 0.00 O ATOM 0 H GLU A 31 5.320 -5.275 -25.158 1.00 0.00 H new ATOM 0 HA GLU A 31 7.414 -5.159 -24.183 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.835 -2.405 -25.421 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.055 -3.565 -24.935 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.668 -5.122 -26.702 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.322 -3.550 -27.393 1.00 0.00 H new ATOM 619 N CYS A 32 7.851 -2.812 -22.629 1.00 0.00 N ATOM 620 CA CYS A 32 7.762 -1.969 -21.365 1.00 0.00 C ATOM 621 C CYS A 32 7.822 -2.877 -20.134 1.00 0.00 C ATOM 622 O CYS A 32 8.302 -3.989 -20.203 1.00 0.00 O ATOM 623 CB CYS A 32 6.472 -1.090 -21.344 1.00 0.00 C ATOM 624 SG CYS A 32 6.259 -0.257 -22.941 1.00 0.00 S ATOM 0 H CYS A 32 8.798 -2.915 -22.995 1.00 0.00 H new ATOM 0 HA CYS A 32 8.612 -1.287 -21.350 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.602 -1.712 -21.131 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.539 -0.351 -20.546 1.00 0.00 H new ATOM 0 HG CYS A 32 5.682 -1.066 -23.779 1.00 0.00 H new ATOM 630 N ASP A 33 7.371 -2.362 -19.006 1.00 0.00 N ATOM 631 CA ASP A 33 7.381 -3.087 -17.684 1.00 0.00 C ATOM 632 C ASP A 33 7.259 -4.586 -17.813 1.00 0.00 C ATOM 633 O ASP A 33 6.715 -5.114 -18.767 1.00 0.00 O ATOM 634 CB ASP A 33 6.208 -2.593 -16.853 1.00 0.00 C ATOM 635 CG ASP A 33 6.553 -2.672 -15.364 1.00 0.00 C ATOM 636 OD1 ASP A 33 6.451 -3.753 -14.808 1.00 0.00 O ATOM 637 OD2 ASP A 33 6.912 -1.649 -14.804 1.00 0.00 O ATOM 0 H ASP A 33 6.978 -1.423 -18.947 1.00 0.00 H new ATOM 0 HA ASP A 33 8.344 -2.877 -17.218 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.966 -1.566 -17.125 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.324 -3.195 -17.063 1.00 0.00 H new ATOM 642 N GLN A 34 7.756 -5.273 -16.827 1.00 0.00 N ATOM 643 CA GLN A 34 7.690 -6.737 -16.838 1.00 0.00 C ATOM 644 C GLN A 34 6.227 -7.187 -16.878 1.00 0.00 C ATOM 645 O GLN A 34 5.565 -7.238 -15.867 1.00 0.00 O ATOM 646 CB GLN A 34 8.371 -7.297 -15.585 1.00 0.00 C ATOM 647 CG GLN A 34 9.801 -7.721 -15.923 1.00 0.00 C ATOM 648 CD GLN A 34 10.686 -7.570 -14.683 1.00 0.00 C ATOM 649 OE1 GLN A 34 10.228 -7.739 -13.571 1.00 0.00 O ATOM 650 NE2 GLN A 34 11.944 -7.257 -14.831 1.00 0.00 N ATOM 0 H GLN A 34 8.209 -4.867 -16.008 1.00 0.00 H new ATOM 0 HA GLN A 34 8.205 -7.113 -17.722 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.381 -6.544 -14.797 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.809 -8.150 -15.204 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.813 -8.755 -16.267 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.190 -7.109 -16.737 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.328 -7.115 -15.765 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.544 -7.154 -14.012 1.00 0.00 H new ATOM 659 N ASN A 35 5.754 -7.539 -18.061 1.00 0.00 N ATOM 660 CA ASN A 35 4.351 -8.036 -18.275 1.00 0.00 C ATOM 661 C ASN A 35 3.274 -6.945 -18.256 1.00 0.00 C ATOM 662 O ASN A 35 2.128 -7.273 -18.313 1.00 0.00 O ATOM 663 CB ASN A 35 4.012 -9.113 -17.264 1.00 0.00 C ATOM 664 CG ASN A 35 4.386 -10.489 -17.821 1.00 0.00 C ATOM 665 OD1 ASN A 35 3.592 -11.125 -18.482 1.00 0.00 O ATOM 666 ND2 ASN A 35 5.574 -10.976 -17.581 1.00 0.00 N ATOM 0 H ASN A 35 6.308 -7.499 -18.916 1.00 0.00 H new ATOM 0 HA ASN A 35 4.343 -8.444 -19.286 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.548 -8.931 -16.332 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.948 -9.083 -17.031 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.834 -11.891 -17.949 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.242 -10.441 -17.025 1.00 0.00 H new ATOM 673 N TRP A 36 3.597 -5.673 -18.237 1.00 0.00 N ATOM 674 CA TRP A 36 2.474 -4.640 -18.290 1.00 0.00 C ATOM 675 C TRP A 36 2.471 -3.996 -19.682 1.00 0.00 C ATOM 676 O TRP A 36 3.490 -3.577 -20.194 1.00 0.00 O ATOM 677 CB TRP A 36 2.598 -3.534 -17.222 1.00 0.00 C ATOM 678 CG TRP A 36 2.692 -4.123 -15.831 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.572 -5.076 -15.455 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.917 -3.792 -14.619 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.381 -5.369 -14.119 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.386 -4.603 -13.557 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.861 -2.886 -14.336 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.850 -4.523 -12.270 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.324 -2.807 -13.030 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.822 -3.620 -12.004 1.00 0.00 C ATOM 0 H TRP A 36 4.545 -5.301 -18.189 1.00 0.00 H new ATOM 0 HA TRP A 36 1.542 -5.167 -18.083 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.481 -2.928 -17.423 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.736 -2.870 -17.281 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.308 -5.536 -16.097 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.916 -6.072 -13.608 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.467 -2.256 -15.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.230 -5.158 -11.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.477 -2.113 -12.822 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.410 -3.547 -11.008 1.00 0.00 H new ATOM 697 N TYR A 37 1.323 -3.943 -20.295 1.00 0.00 N ATOM 698 CA TYR A 37 1.195 -3.358 -21.668 1.00 0.00 C ATOM 699 C TYR A 37 0.947 -1.860 -21.600 1.00 0.00 C ATOM 700 O TYR A 37 0.781 -1.292 -20.559 1.00 0.00 O ATOM 701 CB TYR A 37 -0.054 -3.926 -22.345 1.00 0.00 C ATOM 702 CG TYR A 37 0.077 -5.389 -22.664 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.243 -5.895 -23.245 1.00 0.00 C ATOM 704 CD2 TYR A 37 -1.004 -6.239 -22.402 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.329 -7.256 -23.561 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.927 -7.592 -22.720 1.00 0.00 C ATOM 707 CZ TYR A 37 0.243 -8.105 -23.301 1.00 0.00 C ATOM 708 OH TYR A 37 0.324 -9.446 -23.625 1.00 0.00 O ATOM 0 H TYR A 37 0.448 -4.286 -19.899 1.00 0.00 H new ATOM 0 HA TYR A 37 2.116 -3.589 -22.203 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.916 -3.775 -21.695 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.248 -3.373 -23.264 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.075 -5.238 -23.450 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.902 -5.843 -21.951 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.231 -7.652 -24.005 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.764 -8.244 -22.520 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.513 -9.893 -23.379 1.00 0.00 H new ATOM 718 N LYS A 38 0.823 -1.253 -22.745 1.00 0.00 N ATOM 719 CA LYS A 38 0.467 0.174 -22.825 1.00 0.00 C ATOM 720 C LYS A 38 -0.832 0.190 -23.615 1.00 0.00 C ATOM 721 O LYS A 38 -0.896 -0.386 -24.682 1.00 0.00 O ATOM 722 CB LYS A 38 1.540 0.958 -23.571 1.00 0.00 C ATOM 723 CG LYS A 38 1.275 2.455 -23.395 1.00 0.00 C ATOM 724 CD LYS A 38 1.356 3.170 -24.753 1.00 0.00 C ATOM 725 CE LYS A 38 2.361 4.315 -24.666 1.00 0.00 C ATOM 726 NZ LYS A 38 2.288 5.139 -25.908 1.00 0.00 N ATOM 0 H LYS A 38 0.959 -1.706 -23.649 1.00 0.00 H new ATOM 0 HA LYS A 38 0.373 0.632 -21.840 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.528 0.703 -23.188 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.531 0.696 -24.629 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.291 2.608 -22.953 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.004 2.883 -22.706 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.657 2.466 -25.529 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.375 3.554 -25.033 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.149 4.933 -23.794 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.369 3.919 -24.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.973 5.919 -25.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.511 4.545 -26.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.329 5.528 -26.011 1.00 0.00 H new ATOM 740 N ALA A 39 -1.886 0.763 -23.094 1.00 0.00 N ATOM 741 CA ALA A 39 -3.185 0.710 -23.841 1.00 0.00 C ATOM 742 C ALA A 39 -4.061 1.864 -23.528 1.00 0.00 C ATOM 743 O ALA A 39 -3.656 2.813 -22.900 1.00 0.00 O ATOM 744 CB ALA A 39 -3.876 -0.590 -23.489 1.00 0.00 C ATOM 0 H ALA A 39 -1.909 1.257 -22.202 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.979 0.761 -24.910 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.825 -0.653 -24.021 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.242 -1.429 -23.777 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.059 -0.626 -22.415 1.00 0.00 H new ATOM 750 N GLU A 40 -5.264 1.822 -24.032 1.00 0.00 N ATOM 751 CA GLU A 40 -6.157 2.948 -23.836 1.00 0.00 C ATOM 752 C GLU A 40 -7.624 2.521 -23.837 1.00 0.00 C ATOM 753 O GLU A 40 -8.103 1.823 -24.707 1.00 0.00 O ATOM 754 CB GLU A 40 -5.822 3.976 -24.930 1.00 0.00 C ATOM 755 CG GLU A 40 -6.974 4.199 -25.935 1.00 0.00 C ATOM 756 CD GLU A 40 -6.635 5.378 -26.850 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.399 6.456 -26.330 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.615 5.182 -28.054 1.00 0.00 O ATOM 0 H GLU A 40 -5.648 1.045 -24.569 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.010 3.397 -22.854 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.570 4.927 -24.460 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.936 3.644 -25.472 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.132 3.299 -26.529 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.903 4.396 -25.401 1.00 0.00 H new ATOM 765 N LEU A 41 -8.311 2.989 -22.870 1.00 0.00 N ATOM 766 CA LEU A 41 -9.765 2.688 -22.735 1.00 0.00 C ATOM 767 C LEU A 41 -10.605 3.820 -23.218 1.00 0.00 C ATOM 768 O LEU A 41 -10.908 4.762 -22.514 1.00 0.00 O ATOM 769 CB LEU A 41 -10.120 2.362 -21.300 1.00 0.00 C ATOM 770 CG LEU A 41 -9.976 0.876 -21.111 1.00 0.00 C ATOM 771 CD1 LEU A 41 -9.767 0.562 -19.627 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.248 0.205 -21.621 1.00 0.00 C ATOM 0 H LEU A 41 -7.932 3.587 -22.136 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.972 1.817 -23.357 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.465 2.899 -20.614 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.140 2.677 -21.079 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.114 0.504 -21.665 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.663 -0.515 -19.494 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.864 1.060 -19.273 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.625 0.917 -19.056 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.166 -0.874 -21.494 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.105 0.573 -21.057 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.383 0.437 -22.678 1.00 0.00 H new ATOM 784 N ASN A 42 -11.028 3.681 -24.415 1.00 0.00 N ATOM 785 CA ASN A 42 -11.926 4.674 -25.059 1.00 0.00 C ATOM 786 C ASN A 42 -11.538 6.149 -24.780 1.00 0.00 C ATOM 787 O ASN A 42 -12.376 7.031 -24.883 1.00 0.00 O ATOM 788 CB ASN A 42 -13.321 4.444 -24.528 1.00 0.00 C ATOM 789 CG ASN A 42 -14.062 3.443 -25.417 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.912 3.453 -26.623 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.865 2.571 -24.868 1.00 0.00 N ATOM 0 H ASN A 42 -10.786 2.890 -25.011 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.849 4.528 -26.136 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.272 4.068 -23.506 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.867 5.387 -24.495 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.365 1.900 -25.451 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.992 2.561 -23.856 1.00 0.00 H new ATOM 798 N GLY A 43 -10.315 6.428 -24.441 1.00 0.00 N ATOM 799 CA GLY A 43 -9.923 7.853 -24.170 1.00 0.00 C ATOM 800 C GLY A 43 -8.765 7.909 -23.174 1.00 0.00 C ATOM 801 O GLY A 43 -7.875 8.731 -23.301 1.00 0.00 O ATOM 0 H GLY A 43 -9.567 5.743 -24.338 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.634 8.340 -25.101 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.777 8.403 -23.775 1.00 0.00 H new ATOM 805 N LYS A 44 -8.756 7.033 -22.197 1.00 0.00 N ATOM 806 CA LYS A 44 -7.666 7.023 -21.227 1.00 0.00 C ATOM 807 C LYS A 44 -6.613 6.101 -21.733 1.00 0.00 C ATOM 808 O LYS A 44 -6.799 5.423 -22.720 1.00 0.00 O ATOM 809 CB LYS A 44 -8.154 6.528 -19.882 1.00 0.00 C ATOM 810 CG LYS A 44 -8.634 7.716 -19.063 1.00 0.00 C ATOM 811 CD LYS A 44 -9.455 7.225 -17.864 1.00 0.00 C ATOM 812 CE LYS A 44 -8.591 6.315 -16.989 1.00 0.00 C ATOM 813 NZ LYS A 44 -9.280 6.066 -15.694 1.00 0.00 N ATOM 0 H LYS A 44 -9.475 6.325 -22.046 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.277 8.033 -21.102 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.964 5.811 -20.016 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.352 6.009 -19.358 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.780 8.299 -18.716 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.240 8.376 -19.684 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.811 8.075 -17.282 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.336 6.684 -18.210 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.405 5.371 -17.501 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.620 6.778 -16.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.669 5.489 -15.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.481 6.974 -15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.172 5.561 -15.867 1.00 0.00 H new ATOM 827 N ASP A 45 -5.506 6.075 -21.079 1.00 0.00 N ATOM 828 CA ASP A 45 -4.415 5.203 -21.516 1.00 0.00 C ATOM 829 C ASP A 45 -3.295 5.091 -20.454 1.00 0.00 C ATOM 830 O ASP A 45 -3.342 5.703 -19.404 1.00 0.00 O ATOM 831 CB ASP A 45 -3.890 5.770 -22.854 1.00 0.00 C ATOM 832 CG ASP A 45 -2.661 6.695 -22.675 1.00 0.00 C ATOM 833 OD1 ASP A 45 -1.565 6.174 -22.551 1.00 0.00 O ATOM 834 OD2 ASP A 45 -2.848 7.902 -22.668 1.00 0.00 O ATOM 0 H ASP A 45 -5.309 6.631 -20.247 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.779 4.185 -21.652 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.624 4.944 -23.513 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.688 6.326 -23.346 1.00 0.00 H new ATOM 839 N GLY A 46 -2.276 4.325 -20.769 1.00 0.00 N ATOM 840 CA GLY A 46 -1.120 4.168 -19.844 1.00 0.00 C ATOM 841 C GLY A 46 -0.790 2.689 -19.608 1.00 0.00 C ATOM 842 O GLY A 46 -1.408 1.802 -20.154 1.00 0.00 O ATOM 0 H GLY A 46 -2.201 3.798 -21.639 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.249 4.675 -20.258 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.346 4.649 -18.892 1.00 0.00 H new ATOM 846 N PHE A 47 0.214 2.435 -18.805 1.00 0.00 N ATOM 847 CA PHE A 47 0.649 1.028 -18.527 1.00 0.00 C ATOM 848 C PHE A 47 -0.500 0.212 -17.915 1.00 0.00 C ATOM 849 O PHE A 47 -1.411 0.760 -17.330 1.00 0.00 O ATOM 850 CB PHE A 47 1.824 1.062 -17.541 1.00 0.00 C ATOM 851 CG PHE A 47 3.133 1.330 -18.272 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.215 2.329 -19.262 1.00 0.00 C ATOM 853 CD2 PHE A 47 4.270 0.583 -17.946 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.428 2.568 -19.916 1.00 0.00 C ATOM 855 CE2 PHE A 47 5.482 0.828 -18.600 1.00 0.00 C ATOM 856 CZ PHE A 47 5.561 1.818 -19.585 1.00 0.00 C ATOM 0 H PHE A 47 0.758 3.151 -18.324 1.00 0.00 H new ATOM 0 HA PHE A 47 0.947 0.557 -19.464 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.655 1.836 -16.792 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.887 0.113 -17.009 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.341 2.910 -19.516 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.212 -0.184 -17.188 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.490 3.332 -20.677 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.359 0.252 -18.344 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.497 2.003 -20.090 1.00 0.00 H new ATOM 866 N ILE A 48 -0.456 -1.107 -18.034 1.00 0.00 N ATOM 867 CA ILE A 48 -1.528 -1.947 -17.449 1.00 0.00 C ATOM 868 C ILE A 48 -0.943 -3.339 -17.138 1.00 0.00 C ATOM 869 O ILE A 48 -0.276 -3.892 -17.963 1.00 0.00 O ATOM 870 CB ILE A 48 -2.682 -2.104 -18.450 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.133 -2.482 -19.837 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.444 -0.792 -18.552 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.283 -2.913 -20.756 1.00 0.00 C ATOM 0 H ILE A 48 0.283 -1.622 -18.514 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.905 -1.476 -16.541 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.348 -2.894 -18.103 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.607 -1.633 -20.273 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.409 -3.291 -19.743 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.264 -0.902 -19.262 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.845 -0.527 -17.574 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.771 -0.006 -18.893 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.886 -3.179 -21.736 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.790 -3.776 -20.324 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.991 -2.091 -20.862 1.00 0.00 H new ATOM 885 N PRO A 49 -1.215 -3.885 -15.968 1.00 0.00 N ATOM 886 CA PRO A 49 -0.712 -5.214 -15.623 1.00 0.00 C ATOM 887 C PRO A 49 -1.408 -6.274 -16.433 1.00 0.00 C ATOM 888 O PRO A 49 -2.571 -6.506 -16.278 1.00 0.00 O ATOM 889 CB PRO A 49 -1.011 -5.372 -14.141 1.00 0.00 C ATOM 890 CG PRO A 49 -2.129 -4.343 -13.819 1.00 0.00 C ATOM 891 CD PRO A 49 -2.028 -3.257 -14.916 1.00 0.00 C ATOM 0 HA PRO A 49 0.352 -5.321 -15.836 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.338 -6.387 -13.915 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.121 -5.182 -13.541 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.111 -4.817 -13.826 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.990 -3.912 -12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.012 -2.974 -15.289 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.558 -2.350 -14.537 1.00 0.00 H new ATOM 899 N LYS A 50 -0.679 -6.903 -17.302 1.00 0.00 N ATOM 900 CA LYS A 50 -1.241 -7.979 -18.167 1.00 0.00 C ATOM 901 C LYS A 50 -1.814 -9.124 -17.312 1.00 0.00 C ATOM 902 O LYS A 50 -2.584 -9.926 -17.796 1.00 0.00 O ATOM 903 CB LYS A 50 -0.109 -8.499 -19.022 1.00 0.00 C ATOM 904 CG LYS A 50 -0.580 -9.562 -19.986 1.00 0.00 C ATOM 905 CD LYS A 50 0.663 -10.197 -20.608 1.00 0.00 C ATOM 906 CE LYS A 50 0.370 -11.654 -20.969 1.00 0.00 C ATOM 907 NZ LYS A 50 0.786 -12.540 -19.846 1.00 0.00 N ATOM 0 H LYS A 50 0.311 -6.714 -17.456 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.052 -7.585 -18.780 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.335 -7.674 -19.579 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.672 -8.909 -18.382 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.176 -10.313 -19.468 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.215 -9.127 -20.757 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.959 -9.644 -21.499 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.498 -10.146 -19.909 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.693 -11.782 -21.172 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.904 -11.928 -21.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.586 -13.530 -20.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.805 -12.425 -19.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.258 -12.284 -18.988 1.00 0.00 H new ATOM 921 N ASN A 51 -1.447 -9.209 -16.047 1.00 0.00 N ATOM 922 CA ASN A 51 -1.973 -10.269 -15.182 1.00 0.00 C ATOM 923 C ASN A 51 -3.484 -10.090 -15.031 1.00 0.00 C ATOM 924 O ASN A 51 -4.234 -11.041 -14.922 1.00 0.00 O ATOM 925 CB ASN A 51 -1.292 -10.169 -13.858 1.00 0.00 C ATOM 926 CG ASN A 51 -0.022 -11.025 -13.854 1.00 0.00 C ATOM 927 OD1 ASN A 51 -0.090 -12.235 -13.758 1.00 0.00 O ATOM 928 ND2 ASN A 51 1.141 -10.443 -13.959 1.00 0.00 N ATOM 0 H ASN A 51 -0.795 -8.569 -15.592 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.785 -11.253 -15.611 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.040 -9.130 -13.647 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.966 -10.500 -13.068 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.993 -11.003 -13.961 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.198 -9.428 -14.040 1.00 0.00 H new ATOM 935 N TYR A 52 -3.925 -8.865 -15.079 1.00 0.00 N ATOM 936 CA TYR A 52 -5.370 -8.555 -15.005 1.00 0.00 C ATOM 937 C TYR A 52 -5.872 -8.375 -16.423 1.00 0.00 C ATOM 938 O TYR A 52 -6.742 -7.561 -16.685 1.00 0.00 O ATOM 939 CB TYR A 52 -5.560 -7.228 -14.252 1.00 0.00 C ATOM 940 CG TYR A 52 -5.451 -7.390 -12.795 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.236 -7.729 -12.205 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.565 -7.142 -12.021 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.151 -7.830 -10.832 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.489 -7.233 -10.655 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.280 -7.581 -10.043 1.00 0.00 C ATOM 946 OH TYR A 52 -5.201 -7.675 -8.668 1.00 0.00 O ATOM 0 H TYR A 52 -3.323 -8.047 -15.169 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.908 -9.352 -14.493 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.813 -6.510 -14.592 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.537 -6.811 -14.496 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.366 -7.912 -12.818 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.500 -6.875 -12.492 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.215 -8.101 -10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.363 -7.036 -10.051 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.805 -7.020 -8.260 1.00 0.00 H new ATOM 956 N ILE A 53 -5.304 -9.103 -17.358 1.00 0.00 N ATOM 957 CA ILE A 53 -5.717 -8.953 -18.763 1.00 0.00 C ATOM 958 C ILE A 53 -5.314 -10.182 -19.581 1.00 0.00 C ATOM 959 O ILE A 53 -4.630 -11.074 -19.120 1.00 0.00 O ATOM 960 CB ILE A 53 -5.035 -7.728 -19.431 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.395 -6.803 -18.403 1.00 0.00 C ATOM 962 CG2 ILE A 53 -6.045 -6.928 -20.241 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.619 -5.718 -19.120 1.00 0.00 C ATOM 0 H ILE A 53 -4.571 -9.793 -17.193 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.799 -8.825 -18.752 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.256 -8.120 -20.084 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.162 -6.359 -17.769 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.731 -7.370 -17.750 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.548 -6.074 -20.701 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.472 -7.562 -21.019 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.840 -6.575 -19.584 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.160 -5.054 -18.387 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.842 -6.172 -19.735 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.296 -5.145 -19.754 1.00 0.00 H new ATOM 975 N GLU A 54 -5.684 -10.160 -20.825 1.00 0.00 N ATOM 976 CA GLU A 54 -5.317 -11.206 -21.767 1.00 0.00 C ATOM 977 C GLU A 54 -5.196 -10.526 -23.125 1.00 0.00 C ATOM 978 O GLU A 54 -5.745 -9.459 -23.331 1.00 0.00 O ATOM 979 CB GLU A 54 -6.362 -12.300 -21.807 1.00 0.00 C ATOM 980 CG GLU A 54 -5.778 -13.603 -21.253 1.00 0.00 C ATOM 981 CD GLU A 54 -6.912 -14.590 -20.978 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.673 -14.345 -20.057 1.00 0.00 O ATOM 983 OE2 GLU A 54 -7.002 -15.573 -21.695 1.00 0.00 O ATOM 0 H GLU A 54 -6.253 -9.417 -21.231 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.383 -11.685 -21.475 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.233 -12.004 -21.222 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.703 -12.451 -22.831 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.073 -14.031 -21.966 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.223 -13.405 -20.336 1.00 0.00 H new ATOM 990 N MET A 55 -4.467 -11.101 -24.024 1.00 0.00 N ATOM 991 CA MET A 55 -4.254 -10.443 -25.357 1.00 0.00 C ATOM 992 C MET A 55 -5.238 -10.928 -26.416 1.00 0.00 C ATOM 993 O MET A 55 -5.148 -12.044 -26.896 1.00 0.00 O ATOM 994 CB MET A 55 -2.832 -10.737 -25.832 1.00 0.00 C ATOM 995 CG MET A 55 -2.401 -9.676 -26.845 1.00 0.00 C ATOM 996 SD MET A 55 -1.021 -10.309 -27.829 1.00 0.00 S ATOM 997 CE MET A 55 -1.967 -11.501 -28.809 1.00 0.00 C ATOM 0 H MET A 55 -4.002 -12.001 -23.906 1.00 0.00 H new ATOM 0 HA MET A 55 -4.416 -9.373 -25.224 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.148 -10.743 -24.983 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.786 -11.727 -26.285 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.237 -9.417 -27.495 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.105 -8.763 -26.328 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.822 -11.296 -29.870 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.624 -12.511 -28.584 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.026 -11.415 -28.564 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.167 -10.078 -26.809 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.123 -10.447 -27.839 1.00 0.00 C ATOM 1009 C LYS A 56 -6.752 -9.822 -29.190 1.00 0.00 C ATOM 1010 O LYS A 56 -6.264 -8.693 -29.244 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.490 -9.990 -27.432 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.169 -11.099 -26.652 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.448 -10.567 -25.990 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.396 -10.001 -27.058 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.783 -9.902 -26.508 1.00 0.00 N ATOM 0 H LYS A 56 -6.281 -9.136 -26.436 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.109 -11.531 -27.951 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.420 -9.089 -26.822 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.079 -9.734 -28.313 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.412 -11.927 -27.318 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.491 -11.488 -25.892 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.943 -11.368 -25.440 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.197 -9.791 -25.267 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.051 -9.018 -27.378 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.390 -10.643 -27.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.365 -10.674 -26.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.751 -9.975 -25.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.199 -8.988 -26.778 1.00 0.00 H new ATOM 1029 N PRO A 57 -6.999 -10.586 -30.264 1.00 0.00 N ATOM 1030 CA PRO A 57 -6.697 -10.142 -31.601 1.00 0.00 C ATOM 1031 C PRO A 57 -7.762 -9.171 -32.123 1.00 0.00 C ATOM 1032 O PRO A 57 -8.584 -8.670 -31.378 1.00 0.00 O ATOM 1033 CB PRO A 57 -6.696 -11.415 -32.430 1.00 0.00 C ATOM 1034 CG PRO A 57 -7.548 -12.425 -31.650 1.00 0.00 C ATOM 1035 CD PRO A 57 -7.592 -11.941 -30.211 1.00 0.00 C ATOM 0 HA PRO A 57 -5.750 -9.605 -31.645 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.112 -11.236 -33.421 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.682 -11.787 -32.573 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.553 -12.488 -32.068 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.115 -13.424 -31.709 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.613 -11.914 -29.831 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.024 -12.598 -29.552 1.00 0.00 H new ATOM 1043 N HIS A 58 -7.753 -8.919 -33.409 1.00 0.00 N ATOM 1044 CA HIS A 58 -8.759 -8.004 -34.018 1.00 0.00 C ATOM 1045 C HIS A 58 -9.101 -8.532 -35.436 1.00 0.00 C ATOM 1046 O HIS A 58 -8.202 -8.896 -36.168 1.00 0.00 O ATOM 1047 CB HIS A 58 -8.162 -6.592 -34.124 1.00 0.00 C ATOM 1048 CG HIS A 58 -8.745 -5.707 -33.052 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -10.081 -5.768 -32.687 1.00 0.00 N ATOM 1050 CD2 HIS A 58 -8.185 -4.733 -32.263 1.00 0.00 C ATOM 1051 CE1 HIS A 58 -10.279 -4.854 -31.720 1.00 0.00 C ATOM 1052 NE2 HIS A 58 -9.156 -4.196 -31.423 1.00 0.00 N ATOM 0 H HIS A 58 -7.082 -9.315 -34.068 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.659 -7.966 -33.405 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -7.078 -6.637 -34.021 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.371 -6.172 -35.108 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.149 -4.430 -32.290 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.231 -4.674 -31.242 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.036 -3.458 -30.729 1.00 0.00 H new ATOM 1060 N PRO A 59 -10.386 -8.579 -35.797 1.00 0.00 N ATOM 1061 CA PRO A 59 -10.791 -9.077 -37.116 1.00 0.00 C ATOM 1062 C PRO A 59 -10.550 -8.007 -38.193 1.00 0.00 C ATOM 1063 O PRO A 59 -9.561 -8.050 -38.902 1.00 0.00 O ATOM 1064 CB PRO A 59 -12.285 -9.382 -36.955 1.00 0.00 C ATOM 1065 CG PRO A 59 -12.778 -8.523 -35.758 1.00 0.00 C ATOM 1066 CD PRO A 59 -11.519 -8.146 -34.943 1.00 0.00 C ATOM 0 HA PRO A 59 -10.224 -9.952 -37.434 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.833 -9.133 -37.864 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.447 -10.443 -36.765 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.296 -7.630 -36.108 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.485 -9.081 -35.144 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.480 -7.075 -34.744 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.505 -8.651 -33.977 1.00 0.00 H new ATOM 1074 N GLU A 60 -11.443 -7.050 -38.320 1.00 0.00 N ATOM 1075 CA GLU A 60 -11.266 -5.983 -39.350 1.00 0.00 C ATOM 1076 C GLU A 60 -12.036 -4.733 -38.922 1.00 0.00 C ATOM 1077 O GLU A 60 -11.483 -3.652 -38.832 1.00 0.00 O ATOM 1078 CB GLU A 60 -11.810 -6.476 -40.695 1.00 0.00 C ATOM 1079 CG GLU A 60 -10.931 -7.610 -41.222 1.00 0.00 C ATOM 1080 CD GLU A 60 -11.337 -7.946 -42.657 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -12.451 -8.409 -42.845 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -10.528 -7.736 -43.546 1.00 0.00 O ATOM 0 H GLU A 60 -12.286 -6.966 -37.752 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.207 -5.746 -39.449 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.837 -6.823 -40.578 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.831 -5.656 -41.412 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.882 -7.316 -41.189 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.036 -8.490 -40.588 1.00 0.00 H new ATOM 1089 N PHE A 61 -13.312 -4.876 -38.658 1.00 0.00 N ATOM 1090 CA PHE A 61 -14.133 -3.705 -38.234 1.00 0.00 C ATOM 1091 C PHE A 61 -15.544 -4.180 -37.879 1.00 0.00 C ATOM 1092 O PHE A 61 -16.132 -4.982 -38.584 1.00 0.00 O ATOM 1093 CB PHE A 61 -14.205 -2.686 -39.381 1.00 0.00 C ATOM 1094 CG PHE A 61 -14.141 -1.285 -38.818 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -12.913 -0.752 -38.406 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -15.308 -0.521 -38.706 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -12.853 0.544 -37.882 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -15.248 0.776 -38.183 1.00 0.00 C ATOM 1099 CZ PHE A 61 -14.021 1.309 -37.770 1.00 0.00 C ATOM 0 H PHE A 61 -13.820 -5.758 -38.719 1.00 0.00 H new ATOM 0 HA PHE A 61 -13.677 -3.234 -37.363 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -13.382 -2.847 -40.077 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -15.129 -2.821 -39.944 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -12.012 -1.341 -38.493 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -16.255 -0.932 -39.023 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.906 0.955 -37.564 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -16.149 1.366 -38.098 1.00 0.00 H new ATOM 0 HZ PHE A 61 -13.975 2.309 -37.365 1.00 0.00 H new ATOM 1109 N ILE A 62 -16.090 -3.692 -36.791 1.00 0.00 N ATOM 1110 CA ILE A 62 -17.463 -4.114 -36.382 1.00 0.00 C ATOM 1111 C ILE A 62 -18.473 -3.661 -37.439 1.00 0.00 C ATOM 1112 O ILE A 62 -18.311 -2.629 -38.065 1.00 0.00 O ATOM 1113 CB ILE A 62 -17.815 -3.483 -35.032 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -17.589 -1.969 -35.098 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -16.924 -4.083 -33.943 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -18.503 -1.271 -34.089 1.00 0.00 C ATOM 0 H ILE A 62 -15.642 -3.019 -36.169 1.00 0.00 H new ATOM 0 HA ILE A 62 -17.495 -5.200 -36.291 1.00 0.00 H new ATOM 0 HB ILE A 62 -18.861 -3.683 -34.800 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -16.546 -1.737 -34.881 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -17.795 -1.604 -36.104 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -17.173 -3.635 -32.981 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -17.084 -5.160 -33.894 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -15.878 -3.882 -34.177 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -18.342 -0.194 -34.136 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -19.543 -1.493 -34.326 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -18.276 -1.628 -33.085 1.00 0.00 H new ATOM 1128 N VAL A 63 -19.514 -4.431 -37.642 1.00 0.00 N ATOM 1129 CA VAL A 63 -20.542 -4.060 -38.660 1.00 0.00 C ATOM 1130 C VAL A 63 -21.842 -3.671 -37.951 1.00 0.00 C ATOM 1131 O VAL A 63 -22.195 -4.236 -36.932 1.00 0.00 O ATOM 1132 CB VAL A 63 -20.798 -5.256 -39.580 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -21.730 -4.835 -40.717 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -19.469 -5.742 -40.165 1.00 0.00 C ATOM 0 H VAL A 63 -19.695 -5.303 -37.144 1.00 0.00 H new ATOM 0 HA VAL A 63 -20.185 -3.216 -39.251 1.00 0.00 H new ATOM 0 HB VAL A 63 -21.261 -6.061 -39.009 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -21.912 -5.687 -41.372 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -22.676 -4.487 -40.302 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -21.267 -4.030 -41.288 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -19.650 -6.594 -40.820 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.007 -4.937 -40.736 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -18.803 -6.042 -39.356 1.00 0.00 H new ATOM 1144 N THR A 64 -22.553 -2.708 -38.484 1.00 0.00 N ATOM 1145 CA THR A 64 -23.832 -2.273 -37.846 1.00 0.00 C ATOM 1146 C THR A 64 -24.831 -1.864 -38.932 1.00 0.00 C ATOM 1147 O THR A 64 -24.453 -1.483 -40.023 1.00 0.00 O ATOM 1148 CB THR A 64 -23.563 -1.081 -36.924 1.00 0.00 C ATOM 1149 OG1 THR A 64 -22.635 -0.203 -37.548 1.00 0.00 O ATOM 1150 CG2 THR A 64 -22.984 -1.579 -35.599 1.00 0.00 C ATOM 0 H THR A 64 -22.302 -2.204 -39.335 1.00 0.00 H new ATOM 0 HA THR A 64 -24.246 -3.096 -37.264 1.00 0.00 H new ATOM 0 HB THR A 64 -24.496 -0.550 -36.733 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.462 0.562 -36.960 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.793 -0.730 -34.943 1.00 0.00 H new ATOM 0 HG22 THR A 64 -23.695 -2.253 -35.122 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.051 -2.110 -35.786 1.00 0.00 H new ATOM 1158 N ASP A 65 -26.108 -1.941 -38.636 1.00 0.00 N ATOM 1159 CA ASP A 65 -27.148 -1.558 -39.644 1.00 0.00 C ATOM 1160 C ASP A 65 -27.020 -2.450 -40.882 1.00 0.00 C ATOM 1161 O ASP A 65 -27.663 -2.150 -41.873 1.00 0.00 O ATOM 1162 CB ASP A 65 -26.960 -0.094 -40.052 1.00 0.00 C ATOM 1163 CG ASP A 65 -28.234 0.413 -40.730 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -29.171 0.735 -40.018 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -28.251 0.469 -41.949 1.00 0.00 O ATOM 1166 OXT ASP A 65 -26.281 -3.418 -40.817 1.00 0.00 O ATOM 0 H ASP A 65 -26.475 -2.254 -37.737 1.00 0.00 H new ATOM 0 HA ASP A 65 -28.136 -1.687 -39.203 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -26.735 0.513 -39.175 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -26.112 -0.000 -40.730 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -13.978 -19.736 -3.238 1.00 0.00 N ATOM 1173 CA SER B 1 -13.434 -19.229 -4.528 1.00 0.00 C ATOM 1174 C SER B 1 -12.121 -18.455 -4.262 1.00 0.00 C ATOM 1175 O SER B 1 -11.959 -17.885 -3.202 1.00 0.00 O ATOM 1176 CB SER B 1 -14.459 -18.297 -5.179 1.00 0.00 C ATOM 1177 OG SER B 1 -13.820 -17.515 -6.182 1.00 0.00 O ATOM 0 H1 SER B 1 -15.009 -19.599 -3.218 1.00 0.00 H new ATOM 0 H2 SER B 1 -13.762 -20.749 -3.144 1.00 0.00 H new ATOM 0 H3 SER B 1 -13.544 -19.215 -2.449 1.00 0.00 H new ATOM 0 HA SER B 1 -13.231 -20.066 -5.196 1.00 0.00 H new ATOM 0 HB2 SER B 1 -15.269 -18.880 -5.618 1.00 0.00 H new ATOM 0 HB3 SER B 1 -14.906 -17.648 -4.426 1.00 0.00 H new ATOM 0 HG SER B 1 -14.476 -16.919 -6.600 1.00 0.00 H new ATOM 1185 N PRO B 2 -11.208 -18.455 -5.236 1.00 0.00 N ATOM 1186 CA PRO B 2 -9.926 -17.759 -5.094 1.00 0.00 C ATOM 1187 C PRO B 2 -10.100 -16.259 -5.360 1.00 0.00 C ATOM 1188 O PRO B 2 -11.042 -15.838 -6.007 1.00 0.00 O ATOM 1189 CB PRO B 2 -9.037 -18.401 -6.165 1.00 0.00 C ATOM 1190 CG PRO B 2 -9.999 -19.010 -7.224 1.00 0.00 C ATOM 1191 CD PRO B 2 -11.376 -19.144 -6.540 1.00 0.00 C ATOM 0 HA PRO B 2 -9.504 -17.846 -4.093 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.378 -17.660 -6.619 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -8.399 -19.171 -5.731 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -10.063 -18.369 -8.103 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -9.638 -19.981 -7.563 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -12.163 -18.681 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -11.652 -20.190 -6.404 1.00 0.00 H new ATOM 1199 N LEU B 3 -9.195 -15.452 -4.864 1.00 0.00 N ATOM 1200 CA LEU B 3 -9.293 -13.976 -5.081 1.00 0.00 C ATOM 1201 C LEU B 3 -7.911 -13.423 -5.440 1.00 0.00 C ATOM 1202 O LEU B 3 -6.931 -14.147 -5.456 1.00 0.00 O ATOM 1203 CB LEU B 3 -9.818 -13.290 -3.806 1.00 0.00 C ATOM 1204 CG LEU B 3 -9.067 -13.806 -2.568 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -7.701 -13.129 -2.472 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -9.881 -13.480 -1.315 1.00 0.00 C ATOM 0 H LEU B 3 -8.389 -15.754 -4.316 1.00 0.00 H new ATOM 0 HA LEU B 3 -9.987 -13.776 -5.898 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -9.694 -12.210 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -10.886 -13.481 -3.697 1.00 0.00 H new ATOM 0 HG LEU B 3 -8.929 -14.884 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -7.173 -13.498 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -7.120 -13.355 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.835 -12.050 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -9.353 -13.844 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -10.015 -12.401 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -10.856 -13.963 -1.379 1.00 0.00 H new ATOM 1218 N LEU B 4 -7.826 -12.147 -5.738 1.00 0.00 N ATOM 1219 CA LEU B 4 -6.505 -11.546 -6.107 1.00 0.00 C ATOM 1220 C LEU B 4 -6.392 -10.114 -5.516 1.00 0.00 C ATOM 1221 O LEU B 4 -6.907 -9.181 -6.094 1.00 0.00 O ATOM 1222 CB LEU B 4 -6.376 -11.479 -7.642 1.00 0.00 C ATOM 1223 CG LEU B 4 -7.671 -10.937 -8.266 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -7.343 -10.203 -9.567 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -8.618 -12.102 -8.565 1.00 0.00 C ATOM 0 H LEU B 4 -8.613 -11.498 -5.741 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.706 -12.167 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -5.538 -10.838 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -6.161 -12.471 -8.039 1.00 0.00 H new ATOM 0 HG LEU B 4 -8.148 -10.247 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.262 -9.819 -10.010 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.667 -9.374 -9.357 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -6.866 -10.892 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.537 -11.719 -9.008 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.139 -12.791 -9.261 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.853 -12.627 -7.639 1.00 0.00 H new ATOM 1237 N PRO B 5 -5.713 -9.970 -4.372 1.00 0.00 N ATOM 1238 CA PRO B 5 -5.550 -8.656 -3.738 1.00 0.00 C ATOM 1239 C PRO B 5 -4.454 -7.857 -4.454 1.00 0.00 C ATOM 1240 O PRO B 5 -4.722 -6.851 -5.085 1.00 0.00 O ATOM 1241 CB PRO B 5 -5.137 -8.988 -2.300 1.00 0.00 C ATOM 1242 CG PRO B 5 -4.537 -10.421 -2.338 1.00 0.00 C ATOM 1243 CD PRO B 5 -5.065 -11.079 -3.631 1.00 0.00 C ATOM 0 HA PRO B 5 -6.452 -8.046 -3.779 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -4.405 -8.270 -1.930 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -5.995 -8.943 -1.629 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -3.448 -10.386 -2.337 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -4.839 -10.992 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -4.255 -11.524 -4.210 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -5.774 -11.877 -3.410 1.00 0.00 H new ATOM 1251 N LYS B 6 -3.225 -8.305 -4.367 1.00 0.00 N ATOM 1252 CA LYS B 6 -2.107 -7.584 -5.047 1.00 0.00 C ATOM 1253 C LYS B 6 -1.807 -8.270 -6.381 1.00 0.00 C ATOM 1254 O LYS B 6 -2.532 -9.147 -6.814 1.00 0.00 O ATOM 1255 CB LYS B 6 -0.850 -7.628 -4.167 1.00 0.00 C ATOM 1256 CG LYS B 6 -1.175 -7.114 -2.756 1.00 0.00 C ATOM 1257 CD LYS B 6 -0.534 -8.034 -1.711 1.00 0.00 C ATOM 1258 CE LYS B 6 -0.270 -7.244 -0.428 1.00 0.00 C ATOM 1259 NZ LYS B 6 0.809 -7.910 0.357 1.00 0.00 N ATOM 0 H LYS B 6 -2.949 -9.141 -3.853 1.00 0.00 H new ATOM 0 HA LYS B 6 -2.395 -6.546 -5.216 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -0.470 -8.648 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -0.063 -7.019 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -0.804 -6.096 -2.635 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.255 -7.079 -2.611 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.191 -8.878 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS B 6 0.399 -8.445 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS B 6 0.021 -6.222 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -1.181 -7.182 0.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 0.987 -7.371 1.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 0.514 -8.877 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.679 -7.947 -0.211 1.00 0.00 H new ATOM 1273 N LEU B 7 -0.736 -7.885 -7.029 1.00 0.00 N ATOM 1274 CA LEU B 7 -0.368 -8.516 -8.331 1.00 0.00 C ATOM 1275 C LEU B 7 -0.124 -10.035 -8.104 1.00 0.00 C ATOM 1276 O LEU B 7 0.457 -10.400 -7.103 1.00 0.00 O ATOM 1277 CB LEU B 7 0.892 -7.854 -8.846 1.00 0.00 C ATOM 1278 CG LEU B 7 0.559 -6.403 -9.167 1.00 0.00 C ATOM 1279 CD1 LEU B 7 1.833 -5.563 -9.109 1.00 0.00 C ATOM 1280 CD2 LEU B 7 -0.072 -6.323 -10.570 1.00 0.00 C ATOM 0 H LEU B 7 -0.098 -7.156 -6.709 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.168 -8.390 -9.061 1.00 0.00 H new ATOM 0 HB2 LEU B 7 1.684 -7.908 -8.099 1.00 0.00 H new ATOM 0 HB3 LEU B 7 1.257 -8.368 -9.735 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.151 -6.016 -8.436 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.595 -4.524 -9.339 1.00 0.00 H new ATOM 0 HD12 LEU B 7 2.264 -5.624 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU B 7 2.551 -5.940 -9.837 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.312 -5.285 -10.803 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.632 -6.707 -11.308 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.984 -6.920 -10.593 1.00 0.00 H new ATOM 1292 N PRO B 8 -0.589 -10.887 -9.022 1.00 0.00 N ATOM 1293 CA PRO B 8 -0.423 -12.345 -8.879 1.00 0.00 C ATOM 1294 C PRO B 8 1.022 -12.782 -9.261 1.00 0.00 C ATOM 1295 O PRO B 8 1.398 -12.672 -10.411 1.00 0.00 O ATOM 1296 CB PRO B 8 -1.444 -12.926 -9.864 1.00 0.00 C ATOM 1297 CG PRO B 8 -1.729 -11.813 -10.909 1.00 0.00 C ATOM 1298 CD PRO B 8 -1.302 -10.481 -10.256 1.00 0.00 C ATOM 0 HA PRO B 8 -0.578 -12.687 -7.856 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -1.052 -13.821 -10.347 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -2.359 -13.218 -9.348 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -1.171 -11.991 -11.828 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -2.785 -11.793 -11.177 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -0.655 -9.904 -10.917 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -2.165 -9.855 -10.029 1.00 0.00 H new ATOM 1306 N PRO B 9 1.800 -13.268 -8.281 1.00 0.00 N ATOM 1307 CA PRO B 9 3.183 -13.708 -8.533 1.00 0.00 C ATOM 1308 C PRO B 9 3.226 -15.138 -9.117 1.00 0.00 C ATOM 1309 O PRO B 9 4.284 -15.637 -9.450 1.00 0.00 O ATOM 1310 CB PRO B 9 3.830 -13.689 -7.145 1.00 0.00 C ATOM 1311 CG PRO B 9 2.669 -13.812 -6.119 1.00 0.00 C ATOM 1312 CD PRO B 9 1.381 -13.411 -6.866 1.00 0.00 C ATOM 0 HA PRO B 9 3.690 -13.071 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO B 9 4.536 -14.512 -7.034 1.00 0.00 H new ATOM 0 HB3 PRO B 9 4.390 -12.767 -6.990 1.00 0.00 H new ATOM 0 HG2 PRO B 9 2.595 -14.830 -5.737 1.00 0.00 H new ATOM 0 HG3 PRO B 9 2.839 -13.161 -5.261 1.00 0.00 H new ATOM 0 HD2 PRO B 9 0.606 -14.170 -6.756 1.00 0.00 H new ATOM 0 HD3 PRO B 9 0.971 -12.479 -6.478 1.00 0.00 H new ATOM 1320 N LYS B 10 2.091 -15.803 -9.236 1.00 0.00 N ATOM 1321 CA LYS B 10 2.091 -17.199 -9.791 1.00 0.00 C ATOM 1322 C LYS B 10 2.694 -17.197 -11.201 1.00 0.00 C ATOM 1323 O LYS B 10 2.510 -16.265 -11.962 1.00 0.00 O ATOM 1324 CB LYS B 10 0.656 -17.730 -9.847 1.00 0.00 C ATOM 1325 CG LYS B 10 0.274 -18.309 -8.483 1.00 0.00 C ATOM 1326 CD LYS B 10 -0.390 -17.223 -7.634 1.00 0.00 C ATOM 1327 CE LYS B 10 -1.400 -17.863 -6.680 1.00 0.00 C ATOM 1328 NZ LYS B 10 -1.634 -16.955 -5.520 1.00 0.00 N ATOM 0 H LYS B 10 1.174 -15.440 -8.974 1.00 0.00 H new ATOM 0 HA LYS B 10 2.690 -17.841 -9.145 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -0.030 -16.928 -10.119 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.570 -18.497 -10.617 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -0.406 -19.151 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS B 10 1.161 -18.690 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS B 10 0.365 -16.678 -7.068 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -0.890 -16.499 -8.278 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.338 -18.054 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -1.027 -18.826 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.321 -17.390 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -0.737 -16.795 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -2.007 -16.046 -5.860 1.00 0.00 H new ATOM 1342 N THR B 11 3.421 -18.232 -11.547 1.00 0.00 N ATOM 1343 CA THR B 11 4.050 -18.295 -12.901 1.00 0.00 C ATOM 1344 C THR B 11 3.066 -18.912 -13.900 1.00 0.00 C ATOM 1345 O THR B 11 2.597 -18.252 -14.809 1.00 0.00 O ATOM 1346 CB THR B 11 5.320 -19.148 -12.833 1.00 0.00 C ATOM 1347 OG1 THR B 11 5.873 -19.070 -11.524 1.00 0.00 O ATOM 1348 CG2 THR B 11 6.337 -18.627 -13.847 1.00 0.00 C ATOM 0 H THR B 11 3.605 -19.037 -10.948 1.00 0.00 H new ATOM 0 HA THR B 11 4.307 -17.288 -13.229 1.00 0.00 H new ATOM 0 HB THR B 11 5.075 -20.185 -13.063 1.00 0.00 H new ATOM 0 HG1 THR B 11 6.685 -19.617 -11.479 1.00 0.00 H new ATOM 0 HG21 THR B 11 7.242 -19.233 -13.800 1.00 0.00 H new ATOM 0 HG22 THR B 11 5.913 -18.685 -14.850 1.00 0.00 H new ATOM 0 HG23 THR B 11 6.583 -17.590 -13.616 1.00 0.00 H new ATOM 1356 N TYR B 12 2.748 -20.174 -13.738 1.00 0.00 N ATOM 1357 CA TYR B 12 1.786 -20.838 -14.677 1.00 0.00 C ATOM 1358 C TYR B 12 1.097 -21.998 -13.960 1.00 0.00 C ATOM 1359 O TYR B 12 1.518 -23.135 -14.046 1.00 0.00 O ATOM 1360 CB TYR B 12 2.521 -21.366 -15.932 1.00 0.00 C ATOM 1361 CG TYR B 12 3.857 -21.981 -15.557 1.00 0.00 C ATOM 1362 CD1 TYR B 12 4.997 -21.173 -15.469 1.00 0.00 C ATOM 1363 CD2 TYR B 12 3.954 -23.356 -15.307 1.00 0.00 C ATOM 1364 CE1 TYR B 12 6.232 -21.738 -15.130 1.00 0.00 C ATOM 1365 CE2 TYR B 12 5.190 -23.921 -14.966 1.00 0.00 C ATOM 1366 CZ TYR B 12 6.329 -23.112 -14.878 1.00 0.00 C ATOM 1367 OH TYR B 12 7.547 -23.667 -14.544 1.00 0.00 O ATOM 0 H TYR B 12 3.112 -20.773 -12.997 1.00 0.00 H new ATOM 0 HA TYR B 12 1.044 -20.105 -14.994 1.00 0.00 H new ATOM 0 HB2 TYR B 12 1.902 -22.109 -16.435 1.00 0.00 H new ATOM 0 HB3 TYR B 12 2.677 -20.550 -16.638 1.00 0.00 H new ATOM 0 HD1 TYR B 12 4.923 -20.113 -15.663 1.00 0.00 H new ATOM 0 HD2 TYR B 12 3.076 -23.981 -15.377 1.00 0.00 H new ATOM 0 HE1 TYR B 12 7.111 -21.114 -15.063 1.00 0.00 H new ATOM 0 HE2 TYR B 12 5.264 -24.981 -14.771 1.00 0.00 H new ATOM 0 HH TYR B 12 7.439 -24.630 -14.401 1.00 0.00 H new ATOM 1377 N LYS B 13 0.037 -21.712 -13.248 1.00 0.00 N ATOM 1378 CA LYS B 13 -0.693 -22.786 -12.516 1.00 0.00 C ATOM 1379 C LYS B 13 -2.193 -22.491 -12.549 1.00 0.00 C ATOM 1380 O LYS B 13 -2.605 -21.349 -12.540 1.00 0.00 O ATOM 1381 CB LYS B 13 -0.209 -22.830 -11.065 1.00 0.00 C ATOM 1382 CG LYS B 13 0.892 -23.883 -10.927 1.00 0.00 C ATOM 1383 CD LYS B 13 1.532 -23.773 -9.542 1.00 0.00 C ATOM 1384 CE LYS B 13 2.702 -24.754 -9.441 1.00 0.00 C ATOM 1385 NZ LYS B 13 3.859 -24.232 -10.222 1.00 0.00 N ATOM 0 H LYS B 13 -0.355 -20.776 -13.143 1.00 0.00 H new ATOM 0 HA LYS B 13 -0.503 -23.749 -12.990 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.169 -21.852 -10.766 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -1.040 -23.067 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.476 -24.880 -11.069 1.00 0.00 H new ATOM 0 HG3 LYS B 13 1.646 -23.739 -11.700 1.00 0.00 H new ATOM 0 HD2 LYS B 13 1.882 -22.755 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS B 13 0.794 -23.990 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.986 -24.891 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.405 -25.731 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.720 -24.751 -9.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.678 -24.360 -11.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 3.987 -23.220 -10.018 1.00 0.00 H new ATOM 1399 N ARG B 14 -3.009 -23.518 -12.589 1.00 0.00 N ATOM 1400 CA ARG B 14 -4.491 -23.314 -12.626 1.00 0.00 C ATOM 1401 C ARG B 14 -4.872 -22.483 -13.874 1.00 0.00 C ATOM 1402 O ARG B 14 -5.126 -23.033 -14.930 1.00 0.00 O ATOM 1403 CB ARG B 14 -4.945 -22.601 -11.342 1.00 0.00 C ATOM 1404 CG ARG B 14 -5.053 -23.619 -10.205 1.00 0.00 C ATOM 1405 CD ARG B 14 -5.252 -22.883 -8.879 1.00 0.00 C ATOM 1406 NE ARG B 14 -5.711 -23.845 -7.840 1.00 0.00 N ATOM 1407 CZ ARG B 14 -4.890 -24.237 -6.904 1.00 0.00 C ATOM 1408 NH1 ARG B 14 -4.147 -23.364 -6.281 1.00 0.00 N ATOM 1409 NH2 ARG B 14 -4.813 -25.502 -6.590 1.00 0.00 N ATOM 0 H ARG B 14 -2.710 -24.493 -12.598 1.00 0.00 H new ATOM 0 HA ARG B 14 -4.992 -24.280 -12.686 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -4.234 -21.818 -11.077 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -5.908 -22.116 -11.503 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -5.888 -24.296 -10.386 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -4.151 -24.230 -10.162 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -4.319 -22.414 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -5.985 -22.085 -9.000 1.00 0.00 H new ATOM 0 HE ARG B 14 -6.668 -24.198 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -4.208 -22.376 -6.525 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -3.505 -23.670 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -5.395 -26.184 -7.076 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -4.171 -25.808 -5.859 1.00 0.00 H new ATOM 1423 N GLU B 15 -4.907 -21.167 -13.767 1.00 0.00 N ATOM 1424 CA GLU B 15 -5.265 -20.325 -14.948 1.00 0.00 C ATOM 1425 C GLU B 15 -4.393 -19.069 -14.959 1.00 0.00 C ATOM 1426 O GLU B 15 -3.732 -18.839 -15.958 1.00 0.00 O ATOM 1427 CB GLU B 15 -6.738 -19.920 -14.861 1.00 0.00 C ATOM 1428 CG GLU B 15 -7.603 -21.001 -15.513 1.00 0.00 C ATOM 1429 CD GLU B 15 -8.051 -22.006 -14.451 1.00 0.00 C ATOM 1430 OE1 GLU B 15 -8.539 -21.571 -13.421 1.00 0.00 O ATOM 1431 OE2 GLU B 15 -7.898 -23.193 -14.686 1.00 0.00 O ATOM 1432 OXT GLU B 15 -4.401 -18.359 -13.967 1.00 0.00 O ATOM 0 H GLU B 15 -4.703 -20.649 -12.913 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.099 -20.894 -15.863 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.029 -19.786 -13.819 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.894 -18.964 -15.361 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -8.472 -20.548 -15.989 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.040 -21.510 -16.295 1.00 0.00 H new TER 1439 GLU B 15