USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 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 Single : A 1 MET CE :methyl -156:sc= -0.103 (180deg=-0.763) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0896 (180deg=-0.656) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 61:sc= 0.134 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -161:sc= -0.0102 (180deg=-0.269) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.4!) USER MOD Single : A 39 MET CE :methyl 157:sc= -0.182 (180deg=-1.02) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.0785 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0648 (180deg=-0.594) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -129:sc= 1.03 (180deg=-1.25!) USER MOD Single : A 49 SER OG : rot -130:sc= 0.108 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 164:sc= -0.0443 (180deg=-0.368) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.55! C(o=-1.5!,f=-5.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot -160:sc= -0.398 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.245 0.853 -10.304 1.00 0.00 N ATOM 2 CA MET A 1 70.907 0.210 -10.435 1.00 0.00 C ATOM 3 C MET A 1 71.016 -1.264 -10.073 1.00 0.00 C ATOM 4 O MET A 1 70.649 -2.137 -10.861 1.00 0.00 O ATOM 5 CB MET A 1 70.416 0.359 -11.875 1.00 0.00 C ATOM 6 CG MET A 1 70.156 1.835 -12.166 1.00 0.00 C ATOM 7 SD MET A 1 69.474 2.018 -13.834 1.00 0.00 S ATOM 8 CE MET A 1 70.968 1.588 -14.762 1.00 0.00 C ATOM 0 H1 MET A 1 72.134 1.887 -10.299 1.00 0.00 H new ATOM 0 H2 MET A 1 72.691 0.549 -9.415 1.00 0.00 H new ATOM 0 H3 MET A 1 72.845 0.573 -11.106 1.00 0.00 H new ATOM 0 HA MET A 1 70.198 0.691 -9.761 1.00 0.00 H new ATOM 0 HB2 MET A 1 71.159 -0.035 -12.568 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.504 -0.219 -12.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 69.461 2.243 -11.432 1.00 0.00 H new ATOM 0 HG3 MET A 1 71.083 2.402 -12.078 1.00 0.00 H new ATOM 0 HE1 MET A 1 70.918 2.030 -15.757 1.00 0.00 H new ATOM 0 HE2 MET A 1 71.844 1.970 -14.238 1.00 0.00 H new ATOM 0 HE3 MET A 1 71.042 0.504 -14.850 1.00 0.00 H new ATOM 20 N TYR A 2 71.520 -1.541 -8.875 1.00 0.00 N ATOM 21 CA TYR A 2 71.668 -2.919 -8.422 1.00 0.00 C ATOM 22 C TYR A 2 70.324 -3.424 -7.909 1.00 0.00 C ATOM 23 O TYR A 2 69.619 -2.709 -7.199 1.00 0.00 O ATOM 24 CB TYR A 2 72.728 -2.999 -7.307 1.00 0.00 C ATOM 25 CG TYR A 2 73.344 -4.393 -7.259 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.566 -5.498 -6.873 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.695 -4.579 -7.602 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.137 -6.776 -6.834 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.259 -5.860 -7.561 1.00 0.00 C ATOM 30 CZ TYR A 2 74.481 -6.957 -7.178 1.00 0.00 C ATOM 31 OH TYR A 2 75.041 -8.217 -7.136 1.00 0.00 O ATOM 0 H TYR A 2 71.830 -0.837 -8.206 1.00 0.00 H new ATOM 0 HA TYR A 2 71.995 -3.543 -9.254 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.506 -2.256 -7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.272 -2.762 -6.345 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.528 -5.362 -6.607 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.298 -3.733 -7.897 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.538 -7.624 -6.538 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.297 -6.001 -7.826 1.00 0.00 H new ATOM 0 HH TYR A 2 75.982 -8.166 -7.406 1.00 0.00 H new ATOM 41 N GLU A 3 69.973 -4.660 -8.264 1.00 0.00 N ATOM 42 CA GLU A 3 68.702 -5.251 -7.825 1.00 0.00 C ATOM 43 C GLU A 3 68.980 -6.422 -6.892 1.00 0.00 C ATOM 44 O GLU A 3 69.733 -7.333 -7.238 1.00 0.00 O ATOM 45 CB GLU A 3 67.889 -5.745 -9.032 1.00 0.00 C ATOM 46 CG GLU A 3 67.412 -4.552 -9.874 1.00 0.00 C ATOM 47 CD GLU A 3 66.654 -5.054 -11.097 1.00 0.00 C ATOM 48 OE1 GLU A 3 66.573 -6.258 -11.269 1.00 0.00 O ATOM 49 OE2 GLU A 3 66.160 -4.224 -11.845 1.00 0.00 O ATOM 0 H GLU A 3 70.543 -5.270 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 3 68.126 -4.488 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.499 -6.410 -9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 3 67.031 -6.324 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.769 -3.907 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 3 68.266 -3.950 -10.186 1.00 0.00 H new ATOM 56 N PHE A 4 68.374 -6.402 -5.702 1.00 0.00 N ATOM 57 CA PHE A 4 68.580 -7.484 -4.733 1.00 0.00 C ATOM 58 C PHE A 4 67.442 -8.496 -4.825 1.00 0.00 C ATOM 59 O PHE A 4 66.294 -8.196 -4.499 1.00 0.00 O ATOM 60 CB PHE A 4 68.687 -6.907 -3.301 1.00 0.00 C ATOM 61 CG PHE A 4 68.491 -7.995 -2.250 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.439 -9.021 -2.099 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.351 -7.979 -1.422 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.244 -10.021 -1.138 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.164 -8.977 -0.463 1.00 0.00 C ATOM 66 CZ PHE A 4 68.109 -9.999 -0.322 1.00 0.00 C ATOM 0 H PHE A 4 67.746 -5.662 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 4 69.514 -7.995 -4.967 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.663 -6.440 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.938 -6.127 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 4 70.319 -9.039 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.619 -7.192 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.972 -10.811 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.289 -8.960 0.170 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.962 -10.772 0.418 1.00 0.00 H new ATOM 76 N LYS A 5 67.788 -9.703 -5.264 1.00 0.00 N ATOM 77 CA LYS A 5 66.818 -10.789 -5.398 1.00 0.00 C ATOM 78 C LYS A 5 67.216 -11.926 -4.471 1.00 0.00 C ATOM 79 O LYS A 5 68.396 -12.240 -4.346 1.00 0.00 O ATOM 80 CB LYS A 5 66.794 -11.296 -6.844 1.00 0.00 C ATOM 81 CG LYS A 5 66.254 -10.198 -7.762 1.00 0.00 C ATOM 82 CD LYS A 5 66.237 -10.709 -9.205 1.00 0.00 C ATOM 83 CE LYS A 5 65.668 -9.631 -10.128 1.00 0.00 C ATOM 84 NZ LYS A 5 65.645 -10.145 -11.526 1.00 0.00 N ATOM 0 H LYS A 5 68.738 -9.956 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 5 65.826 -10.422 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.798 -11.584 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.169 -12.186 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.249 -9.912 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.876 -9.306 -7.687 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.247 -10.974 -9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.634 -11.615 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 5 64.661 -9.359 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.276 -8.728 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.259 -9.415 -12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.612 -10.384 -11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.048 -10.995 -11.573 1.00 0.00 H new ATOM 98 N LEU A 6 66.234 -12.535 -3.822 1.00 0.00 N ATOM 99 CA LEU A 6 66.521 -13.640 -2.896 1.00 0.00 C ATOM 100 C LEU A 6 66.947 -14.896 -3.671 1.00 0.00 C ATOM 101 O LEU A 6 66.134 -15.470 -4.398 1.00 0.00 O ATOM 102 CB LEU A 6 65.282 -13.954 -2.033 1.00 0.00 C ATOM 103 CG LEU A 6 65.577 -15.125 -1.050 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.914 -14.850 0.309 1.00 0.00 C ATOM 105 CD2 LEU A 6 65.019 -16.450 -1.602 1.00 0.00 C ATOM 0 H LEU A 6 65.247 -12.295 -3.911 1.00 0.00 H new ATOM 0 HA LEU A 6 67.339 -13.334 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.990 -13.067 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.442 -14.216 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 6 66.658 -15.203 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.125 -15.674 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 6 65.309 -13.924 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.836 -14.757 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.235 -17.256 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.941 -16.364 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 6 65.486 -16.669 -2.562 1.00 0.00 H new ATOM 117 N PRO A 7 68.188 -15.345 -3.554 1.00 0.00 N ATOM 118 CA PRO A 7 68.663 -16.558 -4.281 1.00 0.00 C ATOM 119 C PRO A 7 68.266 -17.846 -3.562 1.00 0.00 C ATOM 120 O PRO A 7 68.086 -17.851 -2.344 1.00 0.00 O ATOM 121 CB PRO A 7 70.180 -16.381 -4.292 1.00 0.00 C ATOM 122 CG PRO A 7 70.476 -15.694 -2.999 1.00 0.00 C ATOM 123 CD PRO A 7 69.274 -14.777 -2.720 1.00 0.00 C ATOM 0 HA PRO A 7 68.229 -16.648 -5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.693 -17.340 -4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 7 70.506 -15.784 -5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.610 -16.417 -2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.399 -15.118 -3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.008 -14.778 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.488 -13.744 -2.993 1.00 0.00 H new ATOM 131 N ASP A 8 68.152 -18.937 -4.310 1.00 0.00 N ATOM 132 CA ASP A 8 67.798 -20.214 -3.708 1.00 0.00 C ATOM 133 C ASP A 8 68.961 -20.717 -2.850 1.00 0.00 C ATOM 134 O ASP A 8 70.122 -20.616 -3.246 1.00 0.00 O ATOM 135 CB ASP A 8 67.481 -21.247 -4.800 1.00 0.00 C ATOM 136 CG ASP A 8 66.075 -21.029 -5.356 1.00 0.00 C ATOM 137 OD1 ASP A 8 65.300 -20.341 -4.714 1.00 0.00 O ATOM 138 OD2 ASP A 8 65.792 -21.563 -6.415 1.00 0.00 O ATOM 0 H ASP A 8 68.297 -18.963 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 8 66.915 -20.077 -3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 8 68.212 -21.169 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 8 67.564 -22.254 -4.391 1.00 0.00 H new ATOM 143 N ILE A 9 68.644 -21.266 -1.676 1.00 0.00 N ATOM 144 CA ILE A 9 69.666 -21.788 -0.766 1.00 0.00 C ATOM 145 C ILE A 9 69.606 -23.310 -0.702 1.00 0.00 C ATOM 146 O ILE A 9 70.364 -23.943 0.033 1.00 0.00 O ATOM 147 CB ILE A 9 69.464 -21.201 0.634 1.00 0.00 C ATOM 148 CG1 ILE A 9 67.986 -21.303 1.031 1.00 0.00 C ATOM 149 CG2 ILE A 9 69.908 -19.733 0.641 1.00 0.00 C ATOM 150 CD1 ILE A 9 67.791 -20.796 2.464 1.00 0.00 C ATOM 0 H ILE A 9 67.688 -21.361 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 9 70.646 -21.496 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 9 70.063 -21.761 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 9 67.375 -20.718 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 9 67.651 -22.337 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.765 -19.314 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.962 -19.670 0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 9 69.314 -19.170 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 9 66.738 -20.872 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.388 -21.400 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 9 68.108 -19.755 2.528 1.00 0.00 H new ATOM 162 N GLY A 10 68.700 -23.891 -1.472 1.00 0.00 N ATOM 163 CA GLY A 10 68.550 -25.340 -1.491 1.00 0.00 C ATOM 164 C GLY A 10 67.682 -25.795 -2.658 1.00 0.00 C ATOM 165 O GLY A 10 66.998 -24.991 -3.290 1.00 0.00 O ATOM 0 H GLY A 10 68.061 -23.388 -2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 10 69.532 -25.808 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 10 68.105 -25.673 -0.553 1.00 0.00 H new ATOM 169 N GLU A 11 67.715 -27.096 -2.934 1.00 0.00 N ATOM 170 CA GLU A 11 66.925 -27.667 -4.025 1.00 0.00 C ATOM 171 C GLU A 11 65.546 -28.081 -3.523 1.00 0.00 C ATOM 172 O GLU A 11 65.393 -28.510 -2.380 1.00 0.00 O ATOM 173 CB GLU A 11 67.642 -28.890 -4.604 1.00 0.00 C ATOM 174 CG GLU A 11 68.934 -28.461 -5.308 1.00 0.00 C ATOM 175 CD GLU A 11 68.609 -27.602 -6.526 1.00 0.00 C ATOM 176 OE1 GLU A 11 67.804 -28.034 -7.334 1.00 0.00 O ATOM 177 OE2 GLU A 11 69.175 -26.525 -6.635 1.00 0.00 O ATOM 0 H GLU A 11 68.278 -27.774 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 11 66.809 -26.910 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 11 67.871 -29.598 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 11 66.988 -29.404 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 11 69.565 -27.902 -4.617 1.00 0.00 H new ATOM 0 HG3 GLU A 11 69.499 -29.341 -5.615 1.00 0.00 H new ATOM 184 N GLY A 12 64.546 -27.951 -4.389 1.00 0.00 N ATOM 185 CA GLY A 12 63.183 -28.318 -4.027 1.00 0.00 C ATOM 186 C GLY A 12 62.550 -27.258 -3.133 1.00 0.00 C ATOM 187 O GLY A 12 61.633 -27.547 -2.365 1.00 0.00 O ATOM 0 H GLY A 12 64.653 -27.597 -5.340 1.00 0.00 H new ATOM 0 HA2 GLY A 12 62.584 -28.442 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 12 63.186 -29.279 -3.512 1.00 0.00 H new ATOM 191 N VAL A 13 63.043 -26.023 -3.245 1.00 0.00 N ATOM 192 CA VAL A 13 62.517 -24.907 -2.448 1.00 0.00 C ATOM 193 C VAL A 13 62.055 -23.785 -3.375 1.00 0.00 C ATOM 194 O VAL A 13 62.777 -23.377 -4.284 1.00 0.00 O ATOM 195 CB VAL A 13 63.601 -24.391 -1.484 1.00 0.00 C ATOM 196 CG1 VAL A 13 63.176 -23.049 -0.875 1.00 0.00 C ATOM 197 CG2 VAL A 13 63.801 -25.403 -0.349 1.00 0.00 C ATOM 0 H VAL A 13 63.803 -25.768 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 13 61.666 -25.254 -1.862 1.00 0.00 H new ATOM 0 HB VAL A 13 64.529 -24.260 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 13 63.952 -22.696 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 13 63.030 -22.318 -1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 13 62.243 -23.178 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 13 64.568 -25.038 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 13 62.864 -25.531 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 13 64.113 -26.361 -0.766 1.00 0.00 H new ATOM 207 N THR A 14 60.840 -23.297 -3.140 1.00 0.00 N ATOM 208 CA THR A 14 60.275 -22.227 -3.959 1.00 0.00 C ATOM 209 C THR A 14 59.267 -21.415 -3.154 1.00 0.00 C ATOM 210 O THR A 14 58.063 -21.481 -3.402 1.00 0.00 O ATOM 211 CB THR A 14 59.584 -22.818 -5.192 1.00 0.00 C ATOM 212 OG1 THR A 14 58.728 -23.877 -4.788 1.00 0.00 O ATOM 213 CG2 THR A 14 60.630 -23.352 -6.174 1.00 0.00 C ATOM 0 H THR A 14 60.229 -23.624 -2.392 1.00 0.00 H new ATOM 0 HA THR A 14 61.087 -21.572 -4.276 1.00 0.00 H new ATOM 0 HB THR A 14 59.000 -22.040 -5.684 1.00 0.00 H new ATOM 0 HG1 THR A 14 58.045 -23.530 -4.177 1.00 0.00 H new ATOM 0 HG21 THR A 14 60.129 -23.770 -7.047 1.00 0.00 H new ATOM 0 HG22 THR A 14 61.285 -22.538 -6.486 1.00 0.00 H new ATOM 0 HG23 THR A 14 61.222 -24.128 -5.689 1.00 0.00 H new ATOM 221 N GLU A 15 59.765 -20.651 -2.188 1.00 0.00 N ATOM 222 CA GLU A 15 58.895 -19.831 -1.354 1.00 0.00 C ATOM 223 C GLU A 15 59.701 -18.749 -0.648 1.00 0.00 C ATOM 224 O GLU A 15 60.841 -18.975 -0.242 1.00 0.00 O ATOM 225 CB GLU A 15 58.186 -20.708 -0.320 1.00 0.00 C ATOM 226 CG GLU A 15 57.192 -19.861 0.479 1.00 0.00 C ATOM 227 CD GLU A 15 56.462 -20.728 1.497 1.00 0.00 C ATOM 228 OE1 GLU A 15 56.852 -21.872 1.664 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.517 -20.237 2.094 1.00 0.00 O ATOM 0 H GLU A 15 60.758 -20.582 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 15 58.151 -19.353 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.664 -21.525 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 15 58.917 -21.159 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.718 -19.054 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.473 -19.397 -0.196 1.00 0.00 H new ATOM 236 N GLY A 16 59.103 -17.566 -0.497 1.00 0.00 N ATOM 237 CA GLY A 16 59.780 -16.456 0.173 1.00 0.00 C ATOM 238 C GLY A 16 58.830 -15.749 1.138 1.00 0.00 C ATOM 239 O GLY A 16 57.901 -15.066 0.711 1.00 0.00 O ATOM 0 H GLY A 16 58.161 -17.353 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.648 -16.828 0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.148 -15.747 -0.568 1.00 0.00 H new ATOM 243 N GLU A 17 59.077 -15.899 2.445 1.00 0.00 N ATOM 244 CA GLU A 17 58.246 -15.255 3.468 1.00 0.00 C ATOM 245 C GLU A 17 59.129 -14.389 4.356 1.00 0.00 C ATOM 246 O GLU A 17 60.235 -14.786 4.721 1.00 0.00 O ATOM 247 CB GLU A 17 57.526 -16.318 4.310 1.00 0.00 C ATOM 248 CG GLU A 17 56.702 -15.653 5.424 1.00 0.00 C ATOM 249 CD GLU A 17 55.685 -14.680 4.833 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.076 -13.573 4.504 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.529 -15.052 4.728 1.00 0.00 O ATOM 0 H GLU A 17 59.844 -16.459 2.818 1.00 0.00 H new ATOM 0 HA GLU A 17 57.494 -14.630 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.873 -16.914 3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.255 -17.000 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.187 -16.416 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 57.365 -15.123 6.108 1.00 0.00 H new ATOM 258 N ILE A 18 58.651 -13.189 4.671 1.00 0.00 N ATOM 259 CA ILE A 18 59.426 -12.252 5.491 1.00 0.00 C ATOM 260 C ILE A 18 58.940 -12.217 6.932 1.00 0.00 C ATOM 261 O ILE A 18 57.779 -11.906 7.202 1.00 0.00 O ATOM 262 CB ILE A 18 59.316 -10.858 4.887 1.00 0.00 C ATOM 263 CG1 ILE A 18 59.764 -10.924 3.434 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.219 -9.879 5.647 1.00 0.00 C ATOM 265 CD1 ILE A 18 59.542 -9.568 2.791 1.00 0.00 C ATOM 0 H ILE A 18 57.739 -12.841 4.376 1.00 0.00 H new ATOM 0 HA ILE A 18 60.463 -12.589 5.500 1.00 0.00 H new ATOM 0 HB ILE A 18 58.284 -10.512 4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.817 -11.201 3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.202 -11.691 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.132 -8.886 5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.914 -9.840 6.693 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.254 -10.214 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 18 59.860 -9.603 1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 18 58.484 -9.311 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 18 60.123 -8.814 3.322 1.00 0.00 H new ATOM 277 N VAL A 19 59.844 -12.528 7.857 1.00 0.00 N ATOM 278 CA VAL A 19 59.511 -12.518 9.276 1.00 0.00 C ATOM 279 C VAL A 19 59.712 -11.117 9.868 1.00 0.00 C ATOM 280 O VAL A 19 58.853 -10.624 10.599 1.00 0.00 O ATOM 281 CB VAL A 19 60.379 -13.537 10.023 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.817 -13.030 10.124 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.817 -13.758 11.430 1.00 0.00 C ATOM 0 H VAL A 19 60.808 -12.789 7.650 1.00 0.00 H new ATOM 0 HA VAL A 19 58.462 -12.792 9.390 1.00 0.00 H new ATOM 0 HB VAL A 19 60.370 -14.478 9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 19 62.424 -13.762 10.657 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.222 -12.882 9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.832 -12.084 10.665 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.436 -14.483 11.959 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.818 -12.814 11.975 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.797 -14.135 11.359 1.00 0.00 H new ATOM 293 N ARG A 20 60.852 -10.481 9.565 1.00 0.00 N ATOM 294 CA ARG A 20 61.133 -9.145 10.102 1.00 0.00 C ATOM 295 C ARG A 20 61.992 -8.305 9.145 1.00 0.00 C ATOM 296 O ARG A 20 62.974 -8.789 8.587 1.00 0.00 O ATOM 297 CB ARG A 20 61.859 -9.300 11.446 1.00 0.00 C ATOM 298 CG ARG A 20 62.093 -7.930 12.092 1.00 0.00 C ATOM 299 CD ARG A 20 62.816 -8.116 13.427 1.00 0.00 C ATOM 300 NE ARG A 20 62.908 -6.842 14.130 1.00 0.00 N ATOM 301 CZ ARG A 20 63.750 -6.677 15.146 1.00 0.00 C ATOM 302 NH1 ARG A 20 64.513 -7.664 15.529 1.00 0.00 N ATOM 303 NH2 ARG A 20 63.806 -5.528 15.763 1.00 0.00 N ATOM 0 H ARG A 20 61.581 -10.862 8.962 1.00 0.00 H new ATOM 0 HA ARG A 20 60.186 -8.621 10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.269 -9.927 12.114 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.813 -9.805 11.294 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.686 -7.299 11.429 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.141 -7.422 12.249 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.281 -8.841 14.041 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.814 -8.518 13.256 1.00 0.00 H new ATOM 0 HE ARG A 20 62.317 -6.064 13.838 1.00 0.00 H new ATOM 0 HH11 ARG A 20 64.464 -8.563 15.049 1.00 0.00 H new ATOM 0 HH12 ARG A 20 65.159 -7.537 16.308 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.205 -4.760 15.466 1.00 0.00 H new ATOM 0 HH22 ARG A 20 64.451 -5.399 16.543 1.00 0.00 H new ATOM 317 N TRP A 21 61.622 -7.026 8.999 1.00 0.00 N ATOM 318 CA TRP A 21 62.373 -6.080 8.151 1.00 0.00 C ATOM 319 C TRP A 21 63.250 -5.211 9.059 1.00 0.00 C ATOM 320 O TRP A 21 62.848 -4.885 10.176 1.00 0.00 O ATOM 321 CB TRP A 21 61.416 -5.143 7.358 1.00 0.00 C ATOM 322 CG TRP A 21 61.079 -5.665 5.986 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.812 -5.855 5.543 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.953 -6.004 4.856 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.847 -6.296 4.238 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.137 -6.411 3.769 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.354 -6.010 4.660 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.683 -6.801 2.547 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.901 -6.403 3.423 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.066 -6.797 2.371 1.00 0.00 C ATOM 0 H TRP A 21 60.806 -6.618 9.456 1.00 0.00 H new ATOM 0 HA TRP A 21 62.970 -6.651 7.440 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.495 -5.010 7.926 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.877 -4.160 7.263 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.916 -5.687 6.122 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.017 -6.511 3.686 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.009 -5.711 5.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.036 -7.106 1.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.972 -6.400 3.285 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.492 -7.097 1.425 1.00 0.00 H new ATOM 341 N ASP A 22 64.439 -4.831 8.582 1.00 0.00 N ATOM 342 CA ASP A 22 65.348 -3.989 9.374 1.00 0.00 C ATOM 343 C ASP A 22 65.683 -2.681 8.657 1.00 0.00 C ATOM 344 O ASP A 22 66.555 -1.936 9.106 1.00 0.00 O ATOM 345 CB ASP A 22 66.634 -4.753 9.668 1.00 0.00 C ATOM 346 CG ASP A 22 67.142 -5.436 8.399 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.463 -5.352 7.391 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.203 -6.036 8.455 1.00 0.00 O ATOM 0 H ASP A 22 64.794 -5.088 7.661 1.00 0.00 H new ATOM 0 HA ASP A 22 64.840 -3.740 10.305 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.392 -4.070 10.051 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.455 -5.497 10.444 1.00 0.00 H new ATOM 353 N VAL A 23 64.998 -2.394 7.549 1.00 0.00 N ATOM 354 CA VAL A 23 65.251 -1.159 6.795 1.00 0.00 C ATOM 355 C VAL A 23 63.942 -0.471 6.416 1.00 0.00 C ATOM 356 O VAL A 23 62.893 -1.108 6.324 1.00 0.00 O ATOM 357 CB VAL A 23 66.065 -1.486 5.534 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.206 -2.435 5.917 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.163 -2.156 4.480 1.00 0.00 C ATOM 0 H VAL A 23 64.271 -2.991 7.155 1.00 0.00 H new ATOM 0 HA VAL A 23 65.818 -0.475 7.426 1.00 0.00 H new ATOM 0 HB VAL A 23 66.470 -0.567 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.792 -2.676 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.847 -1.954 6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.792 -3.351 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.750 -2.383 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.750 -3.079 4.888 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.350 -1.481 4.215 1.00 0.00 H new ATOM 369 N LYS A 24 64.019 0.841 6.198 1.00 0.00 N ATOM 370 CA LYS A 24 62.845 1.634 5.825 1.00 0.00 C ATOM 371 C LYS A 24 63.176 2.580 4.672 1.00 0.00 C ATOM 372 O LYS A 24 64.301 3.062 4.548 1.00 0.00 O ATOM 373 CB LYS A 24 62.363 2.441 7.031 1.00 0.00 C ATOM 374 CG LYS A 24 61.814 1.485 8.091 1.00 0.00 C ATOM 375 CD LYS A 24 61.335 2.281 9.307 1.00 0.00 C ATOM 376 CE LYS A 24 60.778 1.319 10.358 1.00 0.00 C ATOM 377 NZ LYS A 24 60.349 2.085 11.561 1.00 0.00 N ATOM 0 H LYS A 24 64.882 1.379 6.273 1.00 0.00 H new ATOM 0 HA LYS A 24 62.057 0.955 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.185 3.027 7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.590 3.147 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.990 0.903 7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.586 0.776 8.390 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.160 2.857 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.567 2.995 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.934 0.765 9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 24 61.537 0.586 10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 59.971 1.429 12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.165 2.594 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 59.612 2.768 11.293 1.00 0.00 H new ATOM 391 N GLU A 25 62.180 2.833 3.828 1.00 0.00 N ATOM 392 CA GLU A 25 62.356 3.718 2.680 1.00 0.00 C ATOM 393 C GLU A 25 62.759 5.125 3.124 1.00 0.00 C ATOM 394 O GLU A 25 62.171 5.687 4.048 1.00 0.00 O ATOM 395 CB GLU A 25 61.046 3.770 1.875 1.00 0.00 C ATOM 396 CG GLU A 25 61.107 4.879 0.815 1.00 0.00 C ATOM 397 CD GLU A 25 62.363 4.727 -0.033 1.00 0.00 C ATOM 398 OE1 GLU A 25 62.777 3.599 -0.250 1.00 0.00 O ATOM 399 OE2 GLU A 25 62.891 5.741 -0.460 1.00 0.00 O ATOM 0 H GLU A 25 61.244 2.438 3.917 1.00 0.00 H new ATOM 0 HA GLU A 25 63.157 3.325 2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.870 2.808 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.207 3.948 2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 25 60.223 4.834 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 25 61.102 5.856 1.299 1.00 0.00 H new ATOM 406 N GLY A 26 63.752 5.700 2.438 1.00 0.00 N ATOM 407 CA GLY A 26 64.210 7.053 2.751 1.00 0.00 C ATOM 408 C GLY A 26 65.309 7.060 3.812 1.00 0.00 C ATOM 409 O GLY A 26 65.692 8.124 4.299 1.00 0.00 O ATOM 0 H GLY A 26 64.249 5.252 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.581 7.528 1.843 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.366 7.648 3.100 1.00 0.00 H new ATOM 413 N ASP A 27 65.810 5.878 4.177 1.00 0.00 N ATOM 414 CA ASP A 27 66.865 5.775 5.198 1.00 0.00 C ATOM 415 C ASP A 27 68.134 5.159 4.623 1.00 0.00 C ATOM 416 O ASP A 27 68.094 4.434 3.628 1.00 0.00 O ATOM 417 CB ASP A 27 66.375 4.921 6.366 1.00 0.00 C ATOM 418 CG ASP A 27 67.394 4.959 7.501 1.00 0.00 C ATOM 419 OD1 ASP A 27 67.688 6.044 7.972 1.00 0.00 O ATOM 420 OD2 ASP A 27 67.864 3.899 7.881 1.00 0.00 O ATOM 0 H ASP A 27 65.509 4.985 3.788 1.00 0.00 H new ATOM 0 HA ASP A 27 67.096 6.783 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.412 5.290 6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.222 3.893 6.037 1.00 0.00 H new ATOM 425 N MET A 28 69.263 5.456 5.267 1.00 0.00 N ATOM 426 CA MET A 28 70.563 4.940 4.833 1.00 0.00 C ATOM 427 C MET A 28 70.929 3.689 5.630 1.00 0.00 C ATOM 428 O MET A 28 70.531 3.543 6.786 1.00 0.00 O ATOM 429 CB MET A 28 71.635 6.009 5.049 1.00 0.00 C ATOM 430 CG MET A 28 71.198 7.309 4.377 1.00 0.00 C ATOM 431 SD MET A 28 71.026 7.051 2.589 1.00 0.00 S ATOM 432 CE MET A 28 71.953 8.503 2.024 1.00 0.00 C ATOM 0 H MET A 28 69.304 6.053 6.093 1.00 0.00 H new ATOM 0 HA MET A 28 70.505 4.684 3.775 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.791 6.173 6.115 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.586 5.675 4.635 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.250 7.646 4.798 1.00 0.00 H new ATOM 0 HG3 MET A 28 71.930 8.093 4.572 1.00 0.00 H new ATOM 0 HE1 MET A 28 71.691 8.721 0.989 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.704 9.360 2.650 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.022 8.302 2.093 1.00 0.00 H new ATOM 442 N VAL A 29 71.703 2.795 5.014 1.00 0.00 N ATOM 443 CA VAL A 29 72.136 1.561 5.683 1.00 0.00 C ATOM 444 C VAL A 29 73.604 1.272 5.370 1.00 0.00 C ATOM 445 O VAL A 29 74.119 1.681 4.330 1.00 0.00 O ATOM 446 CB VAL A 29 71.268 0.361 5.248 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.207 0.266 3.721 1.00 0.00 C ATOM 448 CG2 VAL A 29 71.865 -0.934 5.816 1.00 0.00 C ATOM 0 H VAL A 29 72.043 2.898 4.058 1.00 0.00 H new ATOM 0 HA VAL A 29 72.018 1.705 6.757 1.00 0.00 H new ATOM 0 HB VAL A 29 70.257 0.503 5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.591 -0.586 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 29 70.773 1.181 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.214 0.136 3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.253 -1.782 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 29 72.879 -1.063 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 29 71.888 -0.878 6.904 1.00 0.00 H new ATOM 458 N GLU A 30 74.267 0.549 6.278 1.00 0.00 N ATOM 459 CA GLU A 30 75.676 0.187 6.098 1.00 0.00 C ATOM 460 C GLU A 30 75.800 -1.315 5.832 1.00 0.00 C ATOM 461 O GLU A 30 74.930 -2.096 6.217 1.00 0.00 O ATOM 462 CB GLU A 30 76.487 0.552 7.348 1.00 0.00 C ATOM 463 CG GLU A 30 75.716 0.156 8.609 1.00 0.00 C ATOM 464 CD GLU A 30 74.578 1.138 8.865 1.00 0.00 C ATOM 465 OE1 GLU A 30 74.734 2.300 8.524 1.00 0.00 O ATOM 466 OE2 GLU A 30 73.564 0.714 9.394 1.00 0.00 O ATOM 0 H GLU A 30 73.852 0.204 7.143 1.00 0.00 H new ATOM 0 HA GLU A 30 76.068 0.741 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 30 77.451 0.043 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 30 76.692 1.623 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 30 75.317 -0.852 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.390 0.139 9.465 1.00 0.00 H new ATOM 473 N LYS A 31 76.880 -1.707 5.166 1.00 0.00 N ATOM 474 CA LYS A 31 77.105 -3.115 4.845 1.00 0.00 C ATOM 475 C LYS A 31 77.751 -3.842 6.022 1.00 0.00 C ATOM 476 O LYS A 31 78.974 -3.872 6.146 1.00 0.00 O ATOM 477 CB LYS A 31 78.008 -3.226 3.614 1.00 0.00 C ATOM 478 CG LYS A 31 78.157 -4.692 3.208 1.00 0.00 C ATOM 479 CD LYS A 31 79.011 -4.782 1.941 1.00 0.00 C ATOM 480 CE LYS A 31 79.151 -6.248 1.520 1.00 0.00 C ATOM 481 NZ LYS A 31 79.970 -6.332 0.278 1.00 0.00 N ATOM 0 H LYS A 31 77.611 -1.075 4.839 1.00 0.00 H new ATOM 0 HA LYS A 31 76.142 -3.580 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.585 -2.652 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 31 78.987 -2.798 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 31 78.622 -5.259 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 31 77.176 -5.134 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 31 78.551 -4.205 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 31 79.995 -4.349 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 31 79.621 -6.823 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 31 78.167 -6.684 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 80.065 -7.327 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 79.504 -5.796 -0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 80.913 -5.931 0.456 1.00 0.00 H new ATOM 495 N ASP A 32 76.913 -4.438 6.867 1.00 0.00 N ATOM 496 CA ASP A 32 77.393 -5.185 8.033 1.00 0.00 C ATOM 497 C ASP A 32 76.214 -5.781 8.791 1.00 0.00 C ATOM 498 O ASP A 32 75.827 -5.278 9.846 1.00 0.00 O ATOM 499 CB ASP A 32 78.200 -4.284 8.985 1.00 0.00 C ATOM 500 CG ASP A 32 78.752 -5.117 10.138 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.409 -6.285 10.216 1.00 0.00 O ATOM 502 OD2 ASP A 32 79.506 -4.572 10.928 1.00 0.00 O ATOM 0 H ASP A 32 75.898 -4.420 6.768 1.00 0.00 H new ATOM 0 HA ASP A 32 78.045 -5.980 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.018 -3.807 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 32 77.565 -3.486 9.371 1.00 0.00 H new ATOM 507 N GLN A 33 75.644 -6.852 8.245 1.00 0.00 N ATOM 508 CA GLN A 33 74.499 -7.514 8.876 1.00 0.00 C ATOM 509 C GLN A 33 73.539 -6.486 9.486 1.00 0.00 C ATOM 510 O GLN A 33 73.691 -6.100 10.645 1.00 0.00 O ATOM 511 CB GLN A 33 74.992 -8.463 9.971 1.00 0.00 C ATOM 512 CG GLN A 33 73.806 -9.233 10.559 1.00 0.00 C ATOM 513 CD GLN A 33 74.299 -10.229 11.604 1.00 0.00 C ATOM 514 OE1 GLN A 33 75.488 -10.547 11.648 1.00 0.00 O ATOM 515 NE2 GLN A 33 73.452 -10.745 12.452 1.00 0.00 N ATOM 0 H GLN A 33 75.952 -7.280 7.372 1.00 0.00 H new ATOM 0 HA GLN A 33 73.964 -8.077 8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 33 75.723 -9.160 9.560 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.496 -7.898 10.755 1.00 0.00 H new ATOM 0 HG2 GLN A 33 73.099 -8.538 11.012 1.00 0.00 H new ATOM 0 HG3 GLN A 33 73.273 -9.758 9.766 1.00 0.00 H new ATOM 0 HE21 GLN A 33 72.468 -10.481 12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 33 73.774 -11.413 13.153 1.00 0.00 H new ATOM 524 N ASP A 34 72.550 -6.044 8.705 1.00 0.00 N ATOM 525 CA ASP A 34 71.585 -5.065 9.196 1.00 0.00 C ATOM 526 C ASP A 34 70.462 -5.762 9.952 1.00 0.00 C ATOM 527 O ASP A 34 69.439 -5.153 10.247 1.00 0.00 O ATOM 528 CB ASP A 34 70.995 -4.279 8.026 1.00 0.00 C ATOM 529 CG ASP A 34 70.159 -3.117 8.551 1.00 0.00 C ATOM 530 OD1 ASP A 34 70.745 -2.168 9.047 1.00 0.00 O ATOM 531 OD2 ASP A 34 68.947 -3.193 8.452 1.00 0.00 O ATOM 0 H ASP A 34 72.400 -6.346 7.742 1.00 0.00 H new ATOM 0 HA ASP A 34 72.100 -4.381 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.795 -3.904 7.388 1.00 0.00 H new ATOM 0 HB3 ASP A 34 70.378 -4.934 7.411 1.00 0.00 H new ATOM 536 N LEU A 35 70.674 -7.043 10.244 1.00 0.00 N ATOM 537 CA LEU A 35 69.681 -7.861 10.965 1.00 0.00 C ATOM 538 C LEU A 35 68.421 -8.053 10.124 1.00 0.00 C ATOM 539 O LEU A 35 67.343 -7.596 10.491 1.00 0.00 O ATOM 540 CB LEU A 35 69.294 -7.217 12.308 1.00 0.00 C ATOM 541 CG LEU A 35 70.529 -7.091 13.223 1.00 0.00 C ATOM 542 CD1 LEU A 35 70.283 -5.994 14.264 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.787 -8.415 13.959 1.00 0.00 C ATOM 0 H LEU A 35 71.526 -7.546 9.995 1.00 0.00 H new ATOM 0 HA LEU A 35 70.142 -8.830 11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.861 -6.232 12.134 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.530 -7.819 12.800 1.00 0.00 H new ATOM 0 HG LEU A 35 71.394 -6.843 12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 35 71.155 -5.904 14.911 1.00 0.00 H new ATOM 0 HD12 LEU A 35 70.108 -5.045 13.758 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.411 -6.251 14.865 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.662 -8.310 14.601 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.919 -8.668 14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.964 -9.207 13.232 1.00 0.00 H new ATOM 555 N VAL A 36 68.565 -8.771 9.015 1.00 0.00 N ATOM 556 CA VAL A 36 67.436 -9.066 8.124 1.00 0.00 C ATOM 557 C VAL A 36 67.217 -10.574 8.159 1.00 0.00 C ATOM 558 O VAL A 36 68.161 -11.345 7.978 1.00 0.00 O ATOM 559 CB VAL A 36 67.744 -8.579 6.672 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.247 -8.320 6.523 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.314 -9.632 5.629 1.00 0.00 C ATOM 0 H VAL A 36 69.455 -9.163 8.706 1.00 0.00 H new ATOM 0 HA VAL A 36 66.537 -8.545 8.452 1.00 0.00 H new ATOM 0 HB VAL A 36 67.182 -7.661 6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.459 -7.980 5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.557 -7.554 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.796 -9.241 6.719 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.540 -9.266 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.855 -10.562 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.243 -9.813 5.715 1.00 0.00 H new ATOM 571 N GLU A 37 65.979 -10.993 8.401 1.00 0.00 N ATOM 572 CA GLU A 37 65.663 -12.419 8.469 1.00 0.00 C ATOM 573 C GLU A 37 64.621 -12.799 7.428 1.00 0.00 C ATOM 574 O GLU A 37 63.538 -12.219 7.371 1.00 0.00 O ATOM 575 CB GLU A 37 65.139 -12.763 9.863 1.00 0.00 C ATOM 576 CG GLU A 37 66.271 -12.614 10.882 1.00 0.00 C ATOM 577 CD GLU A 37 65.744 -12.878 12.288 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.582 -13.233 12.406 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.509 -12.725 13.225 1.00 0.00 O ATOM 0 H GLU A 37 65.183 -10.373 8.552 1.00 0.00 H new ATOM 0 HA GLU A 37 66.575 -12.981 8.266 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.310 -12.105 10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.754 -13.782 9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 37 67.075 -13.312 10.649 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.693 -11.611 10.825 1.00 0.00 H new ATOM 586 N VAL A 38 64.958 -13.792 6.610 1.00 0.00 N ATOM 587 CA VAL A 38 64.056 -14.280 5.576 1.00 0.00 C ATOM 588 C VAL A 38 63.782 -15.763 5.806 1.00 0.00 C ATOM 589 O VAL A 38 64.704 -16.538 6.072 1.00 0.00 O ATOM 590 CB VAL A 38 64.673 -14.068 4.191 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.971 -12.580 3.983 1.00 0.00 C ATOM 592 CG2 VAL A 38 65.969 -14.869 4.061 1.00 0.00 C ATOM 0 H VAL A 38 65.855 -14.276 6.645 1.00 0.00 H new ATOM 0 HA VAL A 38 63.119 -13.726 5.625 1.00 0.00 H new ATOM 0 HB VAL A 38 63.966 -14.410 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.410 -12.431 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.045 -12.010 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.670 -12.239 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.398 -14.710 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.678 -14.540 4.821 1.00 0.00 H new ATOM 0 HG23 VAL A 38 65.757 -15.929 4.198 1.00 0.00 H new ATOM 602 N MET A 39 62.509 -16.145 5.729 1.00 0.00 N ATOM 603 CA MET A 39 62.113 -17.537 5.942 1.00 0.00 C ATOM 604 C MET A 39 61.799 -18.210 4.611 1.00 0.00 C ATOM 605 O MET A 39 60.791 -17.908 3.973 1.00 0.00 O ATOM 606 CB MET A 39 60.877 -17.586 6.844 1.00 0.00 C ATOM 607 CG MET A 39 60.497 -19.043 7.116 1.00 0.00 C ATOM 608 SD MET A 39 59.153 -19.111 8.328 1.00 0.00 S ATOM 609 CE MET A 39 57.854 -18.385 7.296 1.00 0.00 C ATOM 0 H MET A 39 61.736 -15.513 5.521 1.00 0.00 H new ATOM 0 HA MET A 39 62.937 -18.067 6.419 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.079 -17.071 7.783 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.046 -17.066 6.368 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.188 -19.527 6.189 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.363 -19.591 7.488 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.878 -18.693 7.670 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.929 -17.298 7.328 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.973 -18.727 6.268 1.00 0.00 H new ATOM 619 N THR A 40 62.668 -19.127 4.201 1.00 0.00 N ATOM 620 CA THR A 40 62.470 -19.843 2.942 1.00 0.00 C ATOM 621 C THR A 40 61.198 -20.683 3.008 1.00 0.00 C ATOM 622 O THR A 40 60.344 -20.606 2.128 1.00 0.00 O ATOM 623 CB THR A 40 63.675 -20.765 2.649 1.00 0.00 C ATOM 624 OG1 THR A 40 63.213 -21.974 2.058 1.00 0.00 O ATOM 625 CG2 THR A 40 64.406 -21.095 3.954 1.00 0.00 C ATOM 0 H THR A 40 63.509 -19.392 4.714 1.00 0.00 H new ATOM 0 HA THR A 40 62.379 -19.108 2.142 1.00 0.00 H new ATOM 0 HB THR A 40 64.357 -20.256 1.968 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.949 -22.620 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.255 -21.745 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.762 -20.173 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 40 63.723 -21.601 4.636 1.00 0.00 H new ATOM 633 N ASP A 41 61.090 -21.496 4.058 1.00 0.00 N ATOM 634 CA ASP A 41 59.920 -22.370 4.237 1.00 0.00 C ATOM 635 C ASP A 41 59.477 -22.379 5.696 1.00 0.00 C ATOM 636 O ASP A 41 58.388 -21.903 6.021 1.00 0.00 O ATOM 637 CB ASP A 41 60.282 -23.791 3.795 1.00 0.00 C ATOM 638 CG ASP A 41 60.368 -23.856 2.272 1.00 0.00 C ATOM 639 OD1 ASP A 41 59.828 -22.970 1.630 1.00 0.00 O ATOM 640 OD2 ASP A 41 60.969 -24.790 1.769 1.00 0.00 O ATOM 0 H ASP A 41 61.790 -21.571 4.796 1.00 0.00 H new ATOM 0 HA ASP A 41 59.097 -21.993 3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 41 61.235 -24.086 4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 41 59.533 -24.495 4.156 1.00 0.00 H new ATOM 645 N LYS A 42 60.327 -22.910 6.575 1.00 0.00 N ATOM 646 CA LYS A 42 60.006 -22.955 8.013 1.00 0.00 C ATOM 647 C LYS A 42 61.284 -22.872 8.846 1.00 0.00 C ATOM 648 O LYS A 42 61.444 -23.600 9.826 1.00 0.00 O ATOM 649 CB LYS A 42 59.236 -24.240 8.390 1.00 0.00 C ATOM 650 CG LYS A 42 57.908 -24.298 7.632 1.00 0.00 C ATOM 651 CD LYS A 42 57.122 -25.535 8.072 1.00 0.00 C ATOM 652 CE LYS A 42 55.813 -25.613 7.285 1.00 0.00 C ATOM 653 NZ LYS A 42 54.990 -24.408 7.581 1.00 0.00 N ATOM 0 H LYS A 42 61.232 -23.311 6.328 1.00 0.00 H new ATOM 0 HA LYS A 42 59.368 -22.098 8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 42 59.838 -25.117 8.152 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.052 -24.261 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 42 57.327 -23.397 7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.091 -24.334 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.714 -26.434 7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 42 56.914 -25.486 9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 42 56.020 -25.673 6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 42 55.266 -26.517 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 53.996 -24.598 7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.063 -24.178 8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.335 -23.605 7.017 1.00 0.00 H new ATOM 667 N VAL A 43 62.184 -21.970 8.458 1.00 0.00 N ATOM 668 CA VAL A 43 63.444 -21.783 9.181 1.00 0.00 C ATOM 669 C VAL A 43 63.918 -20.341 9.036 1.00 0.00 C ATOM 670 O VAL A 43 63.645 -19.687 8.029 1.00 0.00 O ATOM 671 CB VAL A 43 64.525 -22.751 8.670 1.00 0.00 C ATOM 672 CG1 VAL A 43 64.692 -22.626 7.153 1.00 0.00 C ATOM 673 CG2 VAL A 43 65.860 -22.432 9.349 1.00 0.00 C ATOM 0 H VAL A 43 62.066 -21.358 7.650 1.00 0.00 H new ATOM 0 HA VAL A 43 63.269 -21.999 10.235 1.00 0.00 H new ATOM 0 HB VAL A 43 64.217 -23.769 8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 43 65.461 -23.319 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.748 -22.863 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 43 64.986 -21.607 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 43 66.626 -23.118 8.987 1.00 0.00 H new ATOM 0 HG22 VAL A 43 66.151 -21.408 9.116 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.755 -22.543 10.428 1.00 0.00 H new ATOM 683 N THR A 44 64.621 -19.843 10.049 1.00 0.00 N ATOM 684 CA THR A 44 65.119 -18.463 10.029 1.00 0.00 C ATOM 685 C THR A 44 66.605 -18.436 9.688 1.00 0.00 C ATOM 686 O THR A 44 67.429 -18.989 10.418 1.00 0.00 O ATOM 687 CB THR A 44 64.903 -17.818 11.404 1.00 0.00 C ATOM 688 OG1 THR A 44 63.607 -18.148 11.883 1.00 0.00 O ATOM 689 CG2 THR A 44 65.020 -16.296 11.297 1.00 0.00 C ATOM 0 H THR A 44 64.860 -20.367 10.891 1.00 0.00 H new ATOM 0 HA THR A 44 64.571 -17.906 9.269 1.00 0.00 H new ATOM 0 HB THR A 44 65.662 -18.191 12.091 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.469 -17.738 12.762 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.865 -15.849 12.279 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.012 -16.032 10.931 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.266 -15.921 10.605 1.00 0.00 H new ATOM 697 N VAL A 45 66.940 -17.780 8.579 1.00 0.00 N ATOM 698 CA VAL A 45 68.336 -17.669 8.137 1.00 0.00 C ATOM 699 C VAL A 45 68.724 -16.201 7.953 1.00 0.00 C ATOM 700 O VAL A 45 67.985 -15.422 7.349 1.00 0.00 O ATOM 701 CB VAL A 45 68.538 -18.421 6.818 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.352 -19.922 7.049 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.514 -17.941 5.788 1.00 0.00 C ATOM 0 H VAL A 45 66.268 -17.316 7.968 1.00 0.00 H new ATOM 0 HA VAL A 45 68.972 -18.112 8.903 1.00 0.00 H new ATOM 0 HB VAL A 45 69.545 -18.229 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.496 -20.455 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.082 -20.271 7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.346 -20.111 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.661 -18.478 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.507 -18.130 6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.643 -16.872 5.617 1.00 0.00 H new ATOM 713 N LYS A 46 69.893 -15.835 8.484 1.00 0.00 N ATOM 714 CA LYS A 46 70.390 -14.459 8.388 1.00 0.00 C ATOM 715 C LYS A 46 71.317 -14.301 7.183 1.00 0.00 C ATOM 716 O LYS A 46 72.158 -15.160 6.917 1.00 0.00 O ATOM 717 CB LYS A 46 71.146 -14.094 9.669 1.00 0.00 C ATOM 718 CG LYS A 46 70.154 -13.954 10.827 1.00 0.00 C ATOM 719 CD LYS A 46 70.911 -13.619 12.114 1.00 0.00 C ATOM 720 CE LYS A 46 69.927 -13.554 13.282 1.00 0.00 C ATOM 721 NZ LYS A 46 69.015 -12.389 13.100 1.00 0.00 N ATOM 0 H LYS A 46 70.513 -16.471 8.985 1.00 0.00 H new ATOM 0 HA LYS A 46 69.538 -13.791 8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 46 71.884 -14.862 9.900 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.691 -13.161 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 46 69.429 -13.171 10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.594 -14.880 10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.672 -14.374 12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 46 71.428 -12.665 12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 46 69.349 -14.477 13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.469 -13.462 14.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.002 -11.819 13.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 69.352 -11.805 12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 68.054 -12.729 12.895 1.00 0.00 H new ATOM 735 N ILE A 47 71.159 -13.190 6.453 1.00 0.00 N ATOM 736 CA ILE A 47 71.984 -12.915 5.268 1.00 0.00 C ATOM 737 C ILE A 47 72.526 -11.472 5.324 1.00 0.00 C ATOM 738 O ILE A 47 71.785 -10.563 5.698 1.00 0.00 O ATOM 739 CB ILE A 47 71.122 -13.102 4.010 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.570 -14.527 3.991 1.00 0.00 C ATOM 741 CG2 ILE A 47 71.963 -12.878 2.747 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.561 -14.673 2.851 1.00 0.00 C ATOM 0 H ILE A 47 70.469 -12.468 6.661 1.00 0.00 H new ATOM 0 HA ILE A 47 72.830 -13.602 5.242 1.00 0.00 H new ATOM 0 HB ILE A 47 70.307 -12.378 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.384 -15.241 3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.092 -14.755 4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.338 -13.014 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.366 -11.865 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.784 -13.595 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.169 -15.690 2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.741 -13.970 2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.053 -14.463 1.901 1.00 0.00 H new ATOM 754 N PRO A 48 73.777 -11.217 4.958 1.00 0.00 N ATOM 755 CA PRO A 48 74.330 -9.821 4.985 1.00 0.00 C ATOM 756 C PRO A 48 73.450 -8.829 4.213 1.00 0.00 C ATOM 757 O PRO A 48 72.874 -9.168 3.178 1.00 0.00 O ATOM 758 CB PRO A 48 75.719 -9.955 4.328 1.00 0.00 C ATOM 759 CG PRO A 48 76.101 -11.389 4.502 1.00 0.00 C ATOM 760 CD PRO A 48 74.797 -12.189 4.502 1.00 0.00 C ATOM 0 HA PRO A 48 74.374 -9.425 5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.683 -9.683 3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.444 -9.294 4.803 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.757 -11.716 3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.646 -11.535 5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.565 -12.574 3.509 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.856 -13.048 5.171 1.00 0.00 H new ATOM 768 N SER A 49 73.347 -7.611 4.744 1.00 0.00 N ATOM 769 CA SER A 49 72.533 -6.562 4.136 1.00 0.00 C ATOM 770 C SER A 49 72.637 -6.584 2.603 1.00 0.00 C ATOM 771 O SER A 49 73.537 -7.206 2.040 1.00 0.00 O ATOM 772 CB SER A 49 72.985 -5.192 4.691 1.00 0.00 C ATOM 773 OG SER A 49 74.136 -5.387 5.503 1.00 0.00 O ATOM 0 H SER A 49 73.822 -7.326 5.601 1.00 0.00 H new ATOM 0 HA SER A 49 71.487 -6.737 4.389 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.211 -4.509 3.873 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.184 -4.737 5.274 1.00 0.00 H new ATOM 0 HG SER A 49 74.008 -4.940 6.365 1.00 0.00 H new ATOM 779 N PRO A 50 71.733 -5.906 1.933 1.00 0.00 N ATOM 780 CA PRO A 50 71.709 -5.829 0.437 1.00 0.00 C ATOM 781 C PRO A 50 72.745 -4.840 -0.122 1.00 0.00 C ATOM 782 O PRO A 50 72.434 -4.056 -1.018 1.00 0.00 O ATOM 783 CB PRO A 50 70.281 -5.346 0.152 1.00 0.00 C ATOM 784 CG PRO A 50 69.942 -4.483 1.321 1.00 0.00 C ATOM 785 CD PRO A 50 70.620 -5.136 2.528 1.00 0.00 C ATOM 0 HA PRO A 50 71.961 -6.779 -0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.229 -4.788 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.589 -6.183 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 50 70.302 -3.465 1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.863 -4.422 1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 50 70.983 -4.390 3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 50 69.932 -5.783 3.072 1.00 0.00 H new ATOM 793 N VAL A 51 73.975 -4.880 0.404 1.00 0.00 N ATOM 794 CA VAL A 51 75.038 -3.977 -0.072 1.00 0.00 C ATOM 795 C VAL A 51 74.688 -2.512 0.229 1.00 0.00 C ATOM 796 O VAL A 51 73.699 -1.984 -0.280 1.00 0.00 O ATOM 797 CB VAL A 51 75.249 -4.174 -1.584 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.569 -3.526 -2.009 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.309 -5.675 -1.886 1.00 0.00 C ATOM 0 H VAL A 51 74.260 -5.517 1.148 1.00 0.00 H new ATOM 0 HA VAL A 51 75.961 -4.219 0.455 1.00 0.00 H new ATOM 0 HB VAL A 51 74.426 -3.713 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.715 -3.667 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.540 -2.460 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.393 -3.989 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.458 -5.825 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.137 -6.124 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.374 -6.145 -1.581 1.00 0.00 H new ATOM 809 N ARG A 52 75.507 -1.867 1.067 1.00 0.00 N ATOM 810 CA ARG A 52 75.285 -0.471 1.445 1.00 0.00 C ATOM 811 C ARG A 52 75.056 0.414 0.223 1.00 0.00 C ATOM 812 O ARG A 52 75.626 0.184 -0.843 1.00 0.00 O ATOM 813 CB ARG A 52 76.504 0.042 2.216 1.00 0.00 C ATOM 814 CG ARG A 52 77.752 -0.093 1.341 1.00 0.00 C ATOM 815 CD ARG A 52 78.976 0.362 2.136 1.00 0.00 C ATOM 816 NE ARG A 52 80.181 0.250 1.321 1.00 0.00 N ATOM 817 CZ ARG A 52 81.387 0.284 1.876 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.506 0.405 3.169 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.453 0.188 1.129 1.00 0.00 N ATOM 0 H ARG A 52 76.330 -2.292 1.495 1.00 0.00 H new ATOM 0 HA ARG A 52 74.391 -0.427 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.356 1.084 2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.630 -0.525 3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.876 -1.127 1.021 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.645 0.509 0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.844 1.394 2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.080 -0.245 3.036 1.00 0.00 H new ATOM 0 HE ARG A 52 80.096 0.144 0.310 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.673 0.473 3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.432 0.431 3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.360 0.087 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 52 83.379 0.214 1.556 1.00 0.00 H new ATOM 833 N GLY A 53 74.222 1.439 0.392 1.00 0.00 N ATOM 834 CA GLY A 53 73.926 2.364 -0.694 1.00 0.00 C ATOM 835 C GLY A 53 72.725 3.241 -0.341 1.00 0.00 C ATOM 836 O GLY A 53 72.639 3.763 0.770 1.00 0.00 O ATOM 0 H GLY A 53 73.742 1.647 1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.795 2.991 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.720 1.807 -1.608 1.00 0.00 H new ATOM 840 N LYS A 54 71.793 3.401 -1.289 1.00 0.00 N ATOM 841 CA LYS A 54 70.596 4.218 -1.056 1.00 0.00 C ATOM 842 C LYS A 54 69.338 3.408 -1.359 1.00 0.00 C ATOM 843 O LYS A 54 69.295 2.658 -2.334 1.00 0.00 O ATOM 844 CB LYS A 54 70.631 5.454 -1.962 1.00 0.00 C ATOM 845 CG LYS A 54 71.766 6.383 -1.531 1.00 0.00 C ATOM 846 CD LYS A 54 71.796 7.604 -2.453 1.00 0.00 C ATOM 847 CE LYS A 54 72.951 8.524 -2.051 1.00 0.00 C ATOM 848 NZ LYS A 54 72.985 9.703 -2.962 1.00 0.00 N ATOM 0 H LYS A 54 71.844 2.980 -2.217 1.00 0.00 H new ATOM 0 HA LYS A 54 70.580 4.528 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.771 5.151 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.678 5.981 -1.910 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.622 6.697 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.719 5.856 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 54 71.914 7.287 -3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.850 8.143 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 54 72.827 8.852 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 54 73.896 7.983 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 73.769 10.329 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 73.122 9.381 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 72.087 10.222 -2.891 1.00 0.00 H new ATOM 862 N ILE A 55 68.309 3.565 -0.522 1.00 0.00 N ATOM 863 CA ILE A 55 67.049 2.843 -0.718 1.00 0.00 C ATOM 864 C ILE A 55 66.055 3.784 -1.405 1.00 0.00 C ATOM 865 O ILE A 55 65.756 4.859 -0.889 1.00 0.00 O ATOM 866 CB ILE A 55 66.500 2.388 0.646 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.651 1.911 1.548 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.518 1.227 0.455 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.520 0.875 0.822 1.00 0.00 C ATOM 0 H ILE A 55 68.323 4.180 0.291 1.00 0.00 H new ATOM 0 HA ILE A 55 67.208 1.961 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 55 65.992 3.233 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.264 2.763 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.246 1.476 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.135 0.911 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.689 1.551 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.031 0.391 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.327 0.552 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.909 0.015 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.942 1.321 -0.079 1.00 0.00 H new ATOM 881 N VAL A 56 65.579 3.394 -2.591 1.00 0.00 N ATOM 882 CA VAL A 56 64.659 4.247 -3.354 1.00 0.00 C ATOM 883 C VAL A 56 63.192 4.026 -2.963 1.00 0.00 C ATOM 884 O VAL A 56 62.498 4.985 -2.630 1.00 0.00 O ATOM 885 CB VAL A 56 64.854 3.987 -4.868 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.655 4.521 -5.679 1.00 0.00 C ATOM 887 CG2 VAL A 56 66.137 4.686 -5.344 1.00 0.00 C ATOM 0 H VAL A 56 65.810 2.507 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 56 64.896 5.284 -3.118 1.00 0.00 H new ATOM 0 HB VAL A 56 64.930 2.911 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.817 4.326 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.743 4.020 -5.353 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.557 5.595 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.276 4.504 -6.410 1.00 0.00 H new ATOM 0 HG22 VAL A 56 66.054 5.758 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.992 4.292 -4.794 1.00 0.00 H new ATOM 897 N LYS A 57 62.709 2.783 -3.022 1.00 0.00 N ATOM 898 CA LYS A 57 61.302 2.511 -2.693 1.00 0.00 C ATOM 899 C LYS A 57 61.094 1.080 -2.208 1.00 0.00 C ATOM 900 O LYS A 57 61.886 0.186 -2.498 1.00 0.00 O ATOM 901 CB LYS A 57 60.407 2.745 -3.926 1.00 0.00 C ATOM 902 CG LYS A 57 60.215 4.243 -4.176 1.00 0.00 C ATOM 903 CD LYS A 57 59.221 4.442 -5.322 1.00 0.00 C ATOM 904 CE LYS A 57 58.954 5.937 -5.506 1.00 0.00 C ATOM 905 NZ LYS A 57 60.209 6.611 -5.943 1.00 0.00 N ATOM 0 H LYS A 57 63.254 1.963 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 57 61.029 3.195 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.857 2.279 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 57 59.438 2.269 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 57 59.848 4.730 -3.273 1.00 0.00 H new ATOM 0 HG3 LYS A 57 61.170 4.707 -4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 57 59.620 4.016 -6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.290 3.918 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 57 58.169 6.089 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 57 58.600 6.373 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 59.983 7.551 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 60.849 6.714 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 60.672 6.039 -6.678 1.00 0.00 H new ATOM 919 N ILE A 58 59.988 0.876 -1.488 1.00 0.00 N ATOM 920 CA ILE A 58 59.622 -0.437 -0.977 1.00 0.00 C ATOM 921 C ILE A 58 58.297 -0.873 -1.611 1.00 0.00 C ATOM 922 O ILE A 58 57.278 -0.198 -1.467 1.00 0.00 O ATOM 923 CB ILE A 58 59.490 -0.362 0.554 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.537 -1.780 1.148 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.180 0.340 0.942 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.931 -1.799 2.559 1.00 0.00 C ATOM 0 H ILE A 58 59.328 1.615 -1.247 1.00 0.00 H new ATOM 0 HA ILE A 58 60.390 -1.168 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 58 60.321 0.218 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 58 58.990 -2.468 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.569 -2.130 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.100 0.386 2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.174 1.351 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.335 -0.218 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 58 58.975 -2.812 2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.495 -1.128 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.892 -1.471 2.513 1.00 0.00 H new ATOM 938 N LEU A 59 58.319 -1.990 -2.331 1.00 0.00 N ATOM 939 CA LEU A 59 57.114 -2.492 -3.003 1.00 0.00 C ATOM 940 C LEU A 59 56.461 -3.621 -2.203 1.00 0.00 C ATOM 941 O LEU A 59 55.297 -3.952 -2.426 1.00 0.00 O ATOM 942 CB LEU A 59 57.486 -3.013 -4.396 1.00 0.00 C ATOM 943 CG LEU A 59 57.982 -1.859 -5.283 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.643 -2.444 -6.537 1.00 0.00 C ATOM 945 CD2 LEU A 59 56.809 -0.950 -5.699 1.00 0.00 C ATOM 0 H LEU A 59 59.150 -2.566 -2.467 1.00 0.00 H new ATOM 0 HA LEU A 59 56.403 -1.670 -3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.261 -3.775 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.620 -3.489 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 59 58.700 -1.262 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.998 -1.633 -7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.485 -3.072 -6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 59 57.916 -3.043 -7.085 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.181 -0.140 -6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.077 -1.534 -6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.338 -0.533 -4.809 1.00 0.00 H new ATOM 957 N TYR A 60 57.220 -4.224 -1.286 1.00 0.00 N ATOM 958 CA TYR A 60 56.712 -5.338 -0.473 1.00 0.00 C ATOM 959 C TYR A 60 56.636 -4.980 1.013 1.00 0.00 C ATOM 960 O TYR A 60 57.503 -4.282 1.540 1.00 0.00 O ATOM 961 CB TYR A 60 57.633 -6.540 -0.663 1.00 0.00 C ATOM 962 CG TYR A 60 57.475 -7.075 -2.075 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.136 -6.447 -3.144 1.00 0.00 C ATOM 964 CD2 TYR A 60 56.663 -8.195 -2.325 1.00 0.00 C ATOM 965 CE1 TYR A 60 57.984 -6.933 -4.447 1.00 0.00 C ATOM 966 CE2 TYR A 60 56.515 -8.678 -3.630 1.00 0.00 C ATOM 967 CZ TYR A 60 57.174 -8.048 -4.691 1.00 0.00 C ATOM 968 OH TYR A 60 57.028 -8.528 -5.976 1.00 0.00 O ATOM 0 H TYR A 60 58.186 -3.963 -1.086 1.00 0.00 H new ATOM 0 HA TYR A 60 55.699 -5.568 -0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.669 -6.251 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 60 57.390 -7.317 0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.763 -5.587 -2.959 1.00 0.00 H new ATOM 0 HD2 TYR A 60 56.152 -8.684 -1.508 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.493 -6.447 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 60 55.891 -9.539 -3.818 1.00 0.00 H new ATOM 0 HH TYR A 60 56.433 -9.307 -5.969 1.00 0.00 H new ATOM 978 N ARG A 61 55.585 -5.478 1.682 1.00 0.00 N ATOM 979 CA ARG A 61 55.377 -5.224 3.114 1.00 0.00 C ATOM 980 C ARG A 61 55.268 -6.552 3.876 1.00 0.00 C ATOM 981 O ARG A 61 55.104 -7.613 3.272 1.00 0.00 O ATOM 982 CB ARG A 61 54.093 -4.403 3.303 1.00 0.00 C ATOM 983 CG ARG A 61 54.036 -3.814 4.717 1.00 0.00 C ATOM 984 CD ARG A 61 52.791 -2.936 4.852 1.00 0.00 C ATOM 985 NE ARG A 61 51.587 -3.750 4.735 1.00 0.00 N ATOM 986 CZ ARG A 61 50.381 -3.193 4.711 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.253 -1.902 4.860 1.00 0.00 N ATOM 988 NH2 ARG A 61 49.323 -3.939 4.551 1.00 0.00 N ATOM 0 H ARG A 61 54.866 -6.060 1.253 1.00 0.00 H new ATOM 0 HA ARG A 61 56.226 -4.666 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 61 54.056 -3.600 2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.222 -5.035 3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.011 -4.615 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.932 -3.226 4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.801 -2.424 5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.795 -2.166 4.081 1.00 0.00 H new ATOM 0 HE ARG A 61 51.672 -4.764 4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 61 51.080 -1.320 4.995 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.326 -1.476 4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 61 49.422 -4.949 4.445 1.00 0.00 H new ATOM 0 HH22 ARG A 61 48.397 -3.513 4.532 1.00 0.00 H new ATOM 1002 N GLU A 62 55.369 -6.482 5.202 1.00 0.00 N ATOM 1003 CA GLU A 62 55.295 -7.677 6.052 1.00 0.00 C ATOM 1004 C GLU A 62 54.012 -8.472 5.811 1.00 0.00 C ATOM 1005 O GLU A 62 52.969 -7.908 5.482 1.00 0.00 O ATOM 1006 CB GLU A 62 55.335 -7.280 7.532 1.00 0.00 C ATOM 1007 CG GLU A 62 56.708 -6.715 7.894 1.00 0.00 C ATOM 1008 CD GLU A 62 56.739 -6.322 9.367 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.743 -6.535 10.038 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.760 -5.816 9.802 1.00 0.00 O ATOM 0 H GLU A 62 55.503 -5.611 5.715 1.00 0.00 H new ATOM 0 HA GLU A 62 56.153 -8.298 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.563 -6.538 7.737 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.116 -8.148 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.481 -7.457 7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.928 -5.847 7.273 1.00 0.00 H new ATOM 1017 N GLY A 63 54.098 -9.789 6.015 1.00 0.00 N ATOM 1018 CA GLY A 63 52.927 -10.664 5.857 1.00 0.00 C ATOM 1019 C GLY A 63 52.757 -11.150 4.421 1.00 0.00 C ATOM 1020 O GLY A 63 51.751 -11.778 4.093 1.00 0.00 O ATOM 0 H GLY A 63 54.955 -10.271 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.026 -11.524 6.520 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.030 -10.126 6.165 1.00 0.00 H new ATOM 1024 N GLN A 64 53.726 -10.845 3.562 1.00 0.00 N ATOM 1025 CA GLN A 64 53.644 -11.246 2.155 1.00 0.00 C ATOM 1026 C GLN A 64 54.507 -12.467 1.856 1.00 0.00 C ATOM 1027 O GLN A 64 55.695 -12.502 2.178 1.00 0.00 O ATOM 1028 CB GLN A 64 54.088 -10.080 1.274 1.00 0.00 C ATOM 1029 CG GLN A 64 53.033 -8.977 1.346 1.00 0.00 C ATOM 1030 CD GLN A 64 53.495 -7.752 0.564 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.549 -7.781 -0.067 1.00 0.00 O ATOM 1032 NE2 GLN A 64 52.767 -6.669 0.572 1.00 0.00 N ATOM 0 H GLN A 64 54.570 -10.327 3.809 1.00 0.00 H new ATOM 0 HA GLN A 64 52.609 -11.514 1.943 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.054 -9.701 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.216 -10.413 0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.089 -9.341 0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 64 52.851 -8.706 2.386 1.00 0.00 H new ATOM 0 HE21 GLN A 64 51.892 -6.646 1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.073 -5.845 0.054 1.00 0.00 H new ATOM 1041 N VAL A 65 53.893 -13.455 1.202 1.00 0.00 N ATOM 1042 CA VAL A 65 54.590 -14.686 0.808 1.00 0.00 C ATOM 1043 C VAL A 65 54.484 -14.844 -0.708 1.00 0.00 C ATOM 1044 O VAL A 65 53.394 -14.735 -1.268 1.00 0.00 O ATOM 1045 CB VAL A 65 53.970 -15.907 1.502 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.452 -15.902 1.306 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.559 -17.192 0.904 1.00 0.00 C ATOM 0 H VAL A 65 52.910 -13.428 0.932 1.00 0.00 H new ATOM 0 HA VAL A 65 55.636 -14.619 1.108 1.00 0.00 H new ATOM 0 HB VAL A 65 54.194 -15.865 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.018 -16.771 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.033 -14.993 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.223 -15.939 0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.118 -18.058 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.339 -17.231 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.639 -17.201 1.052 1.00 0.00 H new ATOM 1057 N VAL A 66 55.619 -15.064 -1.376 1.00 0.00 N ATOM 1058 CA VAL A 66 55.621 -15.186 -2.841 1.00 0.00 C ATOM 1059 C VAL A 66 56.701 -16.173 -3.332 1.00 0.00 C ATOM 1060 O VAL A 66 57.816 -16.158 -2.813 1.00 0.00 O ATOM 1061 CB VAL A 66 55.924 -13.809 -3.430 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.607 -13.790 -4.925 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.070 -12.754 -2.723 1.00 0.00 C ATOM 0 H VAL A 66 56.535 -15.160 -0.938 1.00 0.00 H new ATOM 0 HA VAL A 66 54.648 -15.560 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 66 56.982 -13.590 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.828 -12.803 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.215 -14.537 -5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.552 -14.017 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.285 -11.771 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.014 -12.986 -2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.301 -12.753 -1.658 1.00 0.00 H new ATOM 1073 N PRO A 67 56.430 -16.999 -4.339 1.00 0.00 N ATOM 1074 CA PRO A 67 57.468 -17.938 -4.875 1.00 0.00 C ATOM 1075 C PRO A 67 58.759 -17.209 -5.260 1.00 0.00 C ATOM 1076 O PRO A 67 58.726 -16.100 -5.794 1.00 0.00 O ATOM 1077 CB PRO A 67 56.800 -18.573 -6.109 1.00 0.00 C ATOM 1078 CG PRO A 67 55.332 -18.438 -5.872 1.00 0.00 C ATOM 1079 CD PRO A 67 55.142 -17.159 -5.054 1.00 0.00 C ATOM 0 HA PRO A 67 57.771 -18.676 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.100 -18.064 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 67 57.087 -19.619 -6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.790 -18.379 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.944 -19.304 -5.335 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.932 -16.303 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.308 -17.250 -4.359 1.00 0.00 H new ATOM 1087 N VAL A 68 59.891 -17.846 -4.968 1.00 0.00 N ATOM 1088 CA VAL A 68 61.206 -17.268 -5.262 1.00 0.00 C ATOM 1089 C VAL A 68 61.376 -16.991 -6.753 1.00 0.00 C ATOM 1090 O VAL A 68 61.113 -17.851 -7.593 1.00 0.00 O ATOM 1091 CB VAL A 68 62.295 -18.246 -4.803 1.00 0.00 C ATOM 1092 CG1 VAL A 68 62.259 -19.503 -5.680 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.670 -17.584 -4.925 1.00 0.00 C ATOM 0 H VAL A 68 59.927 -18.765 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 68 61.290 -16.320 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 68 62.115 -18.519 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 68 63.033 -20.197 -5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 68 61.283 -19.980 -5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 68 62.435 -19.227 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.440 -18.282 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.849 -17.306 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.701 -16.691 -4.300 1.00 0.00 H new ATOM 1103 N GLY A 69 61.842 -15.778 -7.070 1.00 0.00 N ATOM 1104 CA GLY A 69 62.079 -15.378 -8.463 1.00 0.00 C ATOM 1105 C GLY A 69 61.422 -14.039 -8.794 1.00 0.00 C ATOM 1106 O GLY A 69 60.714 -13.925 -9.794 1.00 0.00 O ATOM 0 H GLY A 69 62.062 -15.057 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.152 -15.310 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.692 -16.147 -9.132 1.00 0.00 H new ATOM 1110 N SER A 70 61.659 -13.019 -7.964 1.00 0.00 N ATOM 1111 CA SER A 70 61.073 -11.702 -8.218 1.00 0.00 C ATOM 1112 C SER A 70 61.885 -10.595 -7.549 1.00 0.00 C ATOM 1113 O SER A 70 62.709 -10.856 -6.672 1.00 0.00 O ATOM 1114 CB SER A 70 59.637 -11.660 -7.700 1.00 0.00 C ATOM 1115 OG SER A 70 59.615 -12.062 -6.335 1.00 0.00 O ATOM 0 H SER A 70 62.240 -13.077 -7.128 1.00 0.00 H new ATOM 0 HA SER A 70 61.082 -11.535 -9.295 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.232 -10.653 -7.801 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.005 -12.319 -8.295 1.00 0.00 H new ATOM 0 HG SER A 70 58.694 -12.034 -6.001 1.00 0.00 H new ATOM 1121 N THR A 71 61.637 -9.353 -7.970 1.00 0.00 N ATOM 1122 CA THR A 71 62.335 -8.198 -7.408 1.00 0.00 C ATOM 1123 C THR A 71 61.570 -7.693 -6.187 1.00 0.00 C ATOM 1124 O THR A 71 60.392 -7.352 -6.287 1.00 0.00 O ATOM 1125 CB THR A 71 62.421 -7.086 -8.463 1.00 0.00 C ATOM 1126 OG1 THR A 71 63.315 -7.481 -9.493 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.924 -5.790 -7.824 1.00 0.00 C ATOM 0 H THR A 71 60.959 -9.123 -8.697 1.00 0.00 H new ATOM 0 HA THR A 71 63.343 -8.488 -7.111 1.00 0.00 H new ATOM 0 HB THR A 71 61.429 -6.915 -8.880 1.00 0.00 H new ATOM 0 HG1 THR A 71 63.370 -6.773 -10.168 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.981 -5.009 -8.582 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.236 -5.482 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.914 -5.955 -7.398 1.00 0.00 H new ATOM 1135 N LEU A 72 62.231 -7.671 -5.028 1.00 0.00 N ATOM 1136 CA LEU A 72 61.573 -7.231 -3.792 1.00 0.00 C ATOM 1137 C LEU A 72 61.917 -5.783 -3.429 1.00 0.00 C ATOM 1138 O LEU A 72 61.124 -5.107 -2.773 1.00 0.00 O ATOM 1139 CB LEU A 72 61.989 -8.156 -2.646 1.00 0.00 C ATOM 1140 CG LEU A 72 61.877 -9.619 -3.096 1.00 0.00 C ATOM 1141 CD1 LEU A 72 62.091 -10.536 -1.895 1.00 0.00 C ATOM 1142 CD2 LEU A 72 60.489 -9.882 -3.699 1.00 0.00 C ATOM 0 H LEU A 72 63.206 -7.948 -4.917 1.00 0.00 H new ATOM 0 HA LEU A 72 60.496 -7.278 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.012 -7.936 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 72 61.354 -7.983 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 72 62.636 -9.818 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 72 62.012 -11.576 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.081 -10.359 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 72 61.333 -10.329 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 72 60.421 -10.923 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 72 59.723 -9.679 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.337 -9.231 -4.560 1.00 0.00 H new ATOM 1154 N LEU A 73 63.087 -5.306 -3.840 1.00 0.00 N ATOM 1155 CA LEU A 73 63.488 -3.933 -3.523 1.00 0.00 C ATOM 1156 C LEU A 73 64.515 -3.448 -4.549 1.00 0.00 C ATOM 1157 O LEU A 73 65.375 -4.217 -4.977 1.00 0.00 O ATOM 1158 CB LEU A 73 64.078 -3.909 -2.100 1.00 0.00 C ATOM 1159 CG LEU A 73 63.864 -2.547 -1.422 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.466 -2.599 -0.013 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.535 -1.422 -2.235 1.00 0.00 C ATOM 0 H LEU A 73 63.767 -5.836 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 73 62.627 -3.266 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.614 -4.692 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.144 -4.131 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 73 62.796 -2.336 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.321 -1.638 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.973 -3.381 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.532 -2.815 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.371 -0.466 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.605 -1.615 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.103 -1.389 -3.235 1.00 0.00 H new ATOM 1173 N GLN A 74 64.429 -2.172 -4.947 1.00 0.00 N ATOM 1174 CA GLN A 74 65.375 -1.619 -5.928 1.00 0.00 C ATOM 1175 C GLN A 74 66.398 -0.731 -5.230 1.00 0.00 C ATOM 1176 O GLN A 74 66.045 0.108 -4.402 1.00 0.00 O ATOM 1177 CB GLN A 74 64.627 -0.809 -6.990 1.00 0.00 C ATOM 1178 CG GLN A 74 65.620 -0.300 -8.039 1.00 0.00 C ATOM 1179 CD GLN A 74 64.882 0.448 -9.144 1.00 0.00 C ATOM 1180 OE1 GLN A 74 64.208 1.442 -8.879 1.00 0.00 O ATOM 1181 NE2 GLN A 74 64.974 0.028 -10.376 1.00 0.00 N ATOM 0 H GLN A 74 63.727 -1.512 -4.612 1.00 0.00 H new ATOM 0 HA GLN A 74 65.893 -2.446 -6.413 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.866 -1.428 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.111 0.031 -6.525 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.351 0.359 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.173 -1.138 -8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 74 65.534 -0.797 -10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.486 0.524 -11.122 1.00 0.00 H new ATOM 1190 N ILE A 75 67.676 -0.932 -5.562 1.00 0.00 N ATOM 1191 CA ILE A 75 68.760 -0.159 -4.950 1.00 0.00 C ATOM 1192 C ILE A 75 69.707 0.401 -6.006 1.00 0.00 C ATOM 1193 O ILE A 75 70.232 -0.331 -6.843 1.00 0.00 O ATOM 1194 CB ILE A 75 69.531 -1.069 -3.989 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.610 -1.511 -2.847 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.733 -0.336 -3.396 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.278 -2.639 -2.057 1.00 0.00 C ATOM 0 H ILE A 75 67.985 -1.621 -6.248 1.00 0.00 H new ATOM 0 HA ILE A 75 68.330 0.685 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 75 69.882 -1.937 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.399 -0.668 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.654 -1.850 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.266 -1.001 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.402 -0.025 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.390 0.542 -2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.622 -2.953 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.466 -3.485 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.222 -2.284 -1.644 1.00 0.00 H new ATOM 1209 N ASP A 76 69.932 1.709 -5.931 1.00 0.00 N ATOM 1210 CA ASP A 76 70.836 2.389 -6.859 1.00 0.00 C ATOM 1211 C ASP A 76 72.262 2.333 -6.322 1.00 0.00 C ATOM 1212 O ASP A 76 72.481 2.439 -5.115 1.00 0.00 O ATOM 1213 CB ASP A 76 70.423 3.850 -7.029 1.00 0.00 C ATOM 1214 CG ASP A 76 69.071 3.937 -7.732 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.643 2.931 -8.275 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.483 5.005 -7.712 1.00 0.00 O ATOM 0 H ASP A 76 69.502 2.321 -5.238 1.00 0.00 H new ATOM 0 HA ASP A 76 70.784 1.887 -7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.366 4.335 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 76 71.177 4.384 -7.608 1.00 0.00 H new ATOM 1221 N THR A 77 73.234 2.175 -7.219 1.00 0.00 N ATOM 1222 CA THR A 77 74.643 2.118 -6.814 1.00 0.00 C ATOM 1223 C THR A 77 75.360 3.404 -7.211 1.00 0.00 C ATOM 1224 O THR A 77 75.426 4.302 -6.387 1.00 0.00 O ATOM 1225 CB THR A 77 75.334 0.929 -7.486 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.729 -0.283 -7.055 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.817 0.920 -7.110 1.00 0.00 C ATOM 1228 OXT THR A 77 75.832 3.473 -8.334 1.00 0.00 O ATOM 0 H THR A 77 73.077 2.085 -8.223 1.00 0.00 H new ATOM 0 HA THR A 77 74.686 2.001 -5.731 1.00 0.00 H new ATOM 0 HB THR A 77 75.233 1.018 -8.568 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.342 -1.030 -7.216 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.309 0.073 -7.589 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.283 1.847 -7.445 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.918 0.834 -6.028 1.00 0.00 H new TER 1236 THR A 77