USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 546 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -8.28! C(o=-8.3!,f=-9.4!) USER MOD Single : A 27 LYS NZ :NH3+ -134:sc= 0.897 (180deg=-0.298) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.0448 X(o=-0.045,f=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HE2:sc= -7.87! C(o=-7.9!,f=-9.5!) USER MOD Single : B 27 LYS NZ :NH3+ -131:sc= 0.919 (180deg=-0.289) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=0) USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 36.375 9.054 3.350 1.00 0.00 N ATOM 42 CA GLU A 4 36.351 9.449 1.912 1.00 0.00 C ATOM 43 C GLU A 4 36.903 8.315 1.043 1.00 0.00 C ATOM 44 O GLU A 4 36.651 8.252 -0.142 1.00 0.00 O ATOM 45 CB GLU A 4 37.254 10.679 1.824 1.00 0.00 C ATOM 46 CG GLU A 4 36.444 11.871 1.311 1.00 0.00 C ATOM 47 CD GLU A 4 37.382 12.870 0.630 1.00 0.00 C ATOM 48 OE1 GLU A 4 37.681 12.671 -0.535 1.00 0.00 O ATOM 49 OE2 GLU A 4 37.786 13.815 1.287 1.00 0.00 O ATOM 0 HA GLU A 4 35.342 9.658 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 4 37.674 10.906 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 4 38.092 10.481 1.156 1.00 0.00 H new ATOM 0 HG2 GLU A 4 35.684 11.532 0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 4 35.921 12.352 2.138 1.00 0.00 H new ATOM 56 N GLU A 5 37.659 7.423 1.623 1.00 0.00 N ATOM 57 CA GLU A 5 38.229 6.295 0.833 1.00 0.00 C ATOM 58 C GLU A 5 37.130 5.307 0.434 1.00 0.00 C ATOM 59 O GLU A 5 37.034 4.902 -0.704 1.00 0.00 O ATOM 60 CB GLU A 5 39.221 5.625 1.778 1.00 0.00 C ATOM 61 CG GLU A 5 40.642 6.075 1.434 1.00 0.00 C ATOM 62 CD GLU A 5 41.385 6.443 2.719 1.00 0.00 C ATOM 63 OE1 GLU A 5 41.243 5.719 3.691 1.00 0.00 O ATOM 64 OE2 GLU A 5 42.084 7.443 2.711 1.00 0.00 O ATOM 0 H GLU A 5 37.907 7.427 2.612 1.00 0.00 H new ATOM 0 HA GLU A 5 38.697 6.636 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 5 38.987 5.884 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 5 39.142 4.541 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 5 41.171 5.278 0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 5 40.611 6.932 0.761 1.00 0.00 H new ATOM 71 N LEU A 6 36.305 4.911 1.364 1.00 0.00 N ATOM 72 CA LEU A 6 35.216 3.944 1.034 1.00 0.00 C ATOM 73 C LEU A 6 34.239 4.572 0.038 1.00 0.00 C ATOM 74 O LEU A 6 33.733 3.918 -0.855 1.00 0.00 O ATOM 75 CB LEU A 6 34.512 3.674 2.370 1.00 0.00 C ATOM 76 CG LEU A 6 34.329 2.167 2.576 1.00 0.00 C ATOM 77 CD1 LEU A 6 33.892 1.894 4.018 1.00 0.00 C ATOM 78 CD2 LEU A 6 33.250 1.647 1.628 1.00 0.00 C ATOM 0 H LEU A 6 36.336 5.214 2.337 1.00 0.00 H new ATOM 0 HA LEU A 6 35.597 3.031 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 6 35.097 4.092 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 6 33.542 4.171 2.385 1.00 0.00 H new ATOM 0 HG LEU A 6 35.274 1.663 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 6 33.762 0.821 4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 6 34.654 2.263 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 6 32.948 2.403 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 6 33.121 0.575 1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 6 32.309 2.157 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 6 33.549 1.838 0.597 1.00 0.00 H new ATOM 90 N GLU A 7 33.968 5.837 0.188 1.00 0.00 N ATOM 91 CA GLU A 7 33.016 6.507 -0.745 1.00 0.00 C ATOM 92 C GLU A 7 33.593 6.561 -2.161 1.00 0.00 C ATOM 93 O GLU A 7 32.918 6.270 -3.131 1.00 0.00 O ATOM 94 CB GLU A 7 32.841 7.918 -0.190 1.00 0.00 C ATOM 95 CG GLU A 7 31.434 8.421 -0.519 1.00 0.00 C ATOM 96 CD GLU A 7 31.531 9.644 -1.434 1.00 0.00 C ATOM 97 OE1 GLU A 7 31.901 10.698 -0.943 1.00 0.00 O ATOM 98 OE2 GLU A 7 31.233 9.505 -2.609 1.00 0.00 O ATOM 0 H GLU A 7 34.362 6.436 0.913 1.00 0.00 H new ATOM 0 HA GLU A 7 32.070 5.970 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 7 32.997 7.918 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 7 33.588 8.585 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.859 7.633 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 7 30.905 8.681 0.398 1.00 0.00 H new ATOM 105 N LYS A 8 34.833 6.939 -2.287 1.00 0.00 N ATOM 106 CA LYS A 8 35.449 7.023 -3.640 1.00 0.00 C ATOM 107 C LYS A 8 35.477 5.648 -4.299 1.00 0.00 C ATOM 108 O LYS A 8 35.099 5.497 -5.439 1.00 0.00 O ATOM 109 CB LYS A 8 36.867 7.542 -3.406 1.00 0.00 C ATOM 110 CG LYS A 8 37.045 8.882 -4.122 1.00 0.00 C ATOM 111 CD LYS A 8 36.842 10.023 -3.123 1.00 0.00 C ATOM 112 CE LYS A 8 37.840 11.144 -3.420 1.00 0.00 C ATOM 113 NZ LYS A 8 37.004 12.284 -3.894 1.00 0.00 N ATOM 0 H LYS A 8 35.447 7.193 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 8 34.886 7.677 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 8 37.050 7.661 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 8 37.595 6.820 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 8 38.040 8.942 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 8 36.329 8.968 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 8 35.822 10.402 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 8 36.980 9.658 -2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 8 38.408 11.414 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 8 38.561 10.840 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 37.617 13.094 -4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 36.480 11.999 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 36.332 12.555 -3.148 1.00 0.00 H new ATOM 127 N LYS A 9 35.907 4.643 -3.593 1.00 0.00 N ATOM 128 CA LYS A 9 35.937 3.282 -4.196 1.00 0.00 C ATOM 129 C LYS A 9 34.527 2.903 -4.633 1.00 0.00 C ATOM 130 O LYS A 9 34.327 2.141 -5.559 1.00 0.00 O ATOM 131 CB LYS A 9 36.428 2.361 -3.079 1.00 0.00 C ATOM 132 CG LYS A 9 37.941 2.172 -3.204 1.00 0.00 C ATOM 133 CD LYS A 9 38.233 0.946 -4.069 1.00 0.00 C ATOM 134 CE LYS A 9 39.571 1.134 -4.787 1.00 0.00 C ATOM 135 NZ LYS A 9 39.224 1.802 -6.073 1.00 0.00 N ATOM 0 H LYS A 9 36.238 4.703 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 9 36.582 3.217 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 9 36.183 2.788 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 9 35.924 1.397 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 9 38.393 3.059 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 9 38.385 2.047 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 9 38.264 0.050 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 9 37.435 0.803 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 9 40.254 1.744 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 9 40.065 0.178 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 40.091 1.966 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 38.578 1.195 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 38.761 2.713 -5.877 1.00 0.00 H new ATOM 149 N PHE A 10 33.548 3.439 -3.965 1.00 0.00 N ATOM 150 CA PHE A 10 32.140 3.129 -4.321 1.00 0.00 C ATOM 151 C PHE A 10 31.795 3.666 -5.717 1.00 0.00 C ATOM 152 O PHE A 10 31.595 2.911 -6.650 1.00 0.00 O ATOM 153 CB PHE A 10 31.312 3.841 -3.245 1.00 0.00 C ATOM 154 CG PHE A 10 30.048 3.067 -2.982 1.00 0.00 C ATOM 155 CD1 PHE A 10 30.114 1.810 -2.347 1.00 0.00 C ATOM 156 CD2 PHE A 10 28.800 3.600 -3.369 1.00 0.00 C ATOM 157 CE1 PHE A 10 28.933 1.082 -2.096 1.00 0.00 C ATOM 158 CE2 PHE A 10 27.616 2.873 -3.119 1.00 0.00 C ATOM 159 CZ PHE A 10 27.685 1.612 -2.482 1.00 0.00 C ATOM 0 H PHE A 10 33.664 4.083 -3.182 1.00 0.00 H new ATOM 0 HA PHE A 10 31.948 2.057 -4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 10 31.892 3.931 -2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 10 31.069 4.853 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 10 31.071 1.404 -2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 10 28.751 4.563 -3.856 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.984 0.120 -1.609 1.00 0.00 H new ATOM 0 HE2 PHE A 10 26.659 3.279 -3.414 1.00 0.00 H new ATOM 0 HZ PHE A 10 26.780 1.054 -2.291 1.00 0.00 H new ATOM 169 N LYS A 11 31.713 4.959 -5.869 1.00 0.00 N ATOM 170 CA LYS A 11 31.354 5.525 -7.202 1.00 0.00 C ATOM 171 C LYS A 11 32.382 5.137 -8.267 1.00 0.00 C ATOM 172 O LYS A 11 32.116 5.204 -9.452 1.00 0.00 O ATOM 173 CB LYS A 11 31.346 7.034 -6.989 1.00 0.00 C ATOM 174 CG LYS A 11 30.740 7.719 -8.215 1.00 0.00 C ATOM 175 CD LYS A 11 29.244 7.941 -7.985 1.00 0.00 C ATOM 176 CE LYS A 11 28.739 9.032 -8.931 1.00 0.00 C ATOM 177 NZ LYS A 11 27.677 9.741 -8.164 1.00 0.00 N ATOM 0 H LYS A 11 31.878 5.646 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 11 30.396 5.148 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.770 7.283 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.361 7.394 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.237 8.672 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.896 7.105 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 11 28.697 7.014 -8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.063 8.230 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.542 9.712 -9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 11 28.343 8.604 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.280 10.506 -8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.923 9.070 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 28.085 10.143 -7.296 1.00 0.00 H new ATOM 191 N GLU A 12 33.550 4.733 -7.861 1.00 0.00 N ATOM 192 CA GLU A 12 34.587 4.349 -8.859 1.00 0.00 C ATOM 193 C GLU A 12 34.317 2.945 -9.391 1.00 0.00 C ATOM 194 O GLU A 12 34.657 2.622 -10.512 1.00 0.00 O ATOM 195 CB GLU A 12 35.911 4.385 -8.095 1.00 0.00 C ATOM 196 CG GLU A 12 36.565 5.757 -8.272 1.00 0.00 C ATOM 197 CD GLU A 12 35.654 6.836 -7.684 1.00 0.00 C ATOM 198 OE1 GLU A 12 34.607 7.079 -8.261 1.00 0.00 O ATOM 199 OE2 GLU A 12 36.019 7.402 -6.667 1.00 0.00 O ATOM 0 H GLU A 12 33.833 4.651 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 12 34.595 5.019 -9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 12 35.738 4.186 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 12 36.576 3.603 -8.462 1.00 0.00 H new ATOM 0 HG2 GLU A 12 37.536 5.776 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 12 36.743 5.953 -9.329 1.00 0.00 H new ATOM 206 N LEU A 13 33.711 2.106 -8.602 1.00 0.00 N ATOM 207 CA LEU A 13 33.430 0.728 -9.081 1.00 0.00 C ATOM 208 C LEU A 13 32.177 0.724 -9.960 1.00 0.00 C ATOM 209 O LEU A 13 32.085 -0.020 -10.917 1.00 0.00 O ATOM 210 CB LEU A 13 33.234 -0.102 -7.815 1.00 0.00 C ATOM 211 CG LEU A 13 34.543 -0.829 -7.499 1.00 0.00 C ATOM 212 CD1 LEU A 13 34.521 -1.328 -6.056 1.00 0.00 C ATOM 213 CD2 LEU A 13 34.704 -2.020 -8.445 1.00 0.00 C ATOM 0 H LEU A 13 33.400 2.313 -7.653 1.00 0.00 H new ATOM 0 HA LEU A 13 34.235 0.323 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 13 32.948 0.540 -6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 13 32.427 -0.821 -7.955 1.00 0.00 H new ATOM 0 HG LEU A 13 35.378 -0.141 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 13 35.455 -1.845 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 13 34.407 -0.481 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 13 33.686 -2.015 -5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 13 35.636 -2.539 -8.221 1.00 0.00 H new ATOM 0 HD22 LEU A 13 33.867 -2.705 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 13 34.724 -1.666 -9.476 1.00 0.00 H new ATOM 225 N TRP A 14 31.218 1.560 -9.662 1.00 0.00 N ATOM 226 CA TRP A 14 29.989 1.602 -10.511 1.00 0.00 C ATOM 227 C TRP A 14 30.331 2.186 -11.877 1.00 0.00 C ATOM 228 O TRP A 14 29.917 1.686 -12.904 1.00 0.00 O ATOM 229 CB TRP A 14 29.022 2.535 -9.793 1.00 0.00 C ATOM 230 CG TRP A 14 27.962 1.737 -9.118 1.00 0.00 C ATOM 231 CD1 TRP A 14 26.864 1.208 -9.714 1.00 0.00 C ATOM 232 CD2 TRP A 14 27.882 1.377 -7.724 1.00 0.00 C ATOM 233 NE1 TRP A 14 26.118 0.539 -8.763 1.00 0.00 N ATOM 234 CE2 TRP A 14 26.700 0.614 -7.519 1.00 0.00 C ATOM 235 CE3 TRP A 14 28.719 1.637 -6.616 1.00 0.00 C ATOM 236 CZ2 TRP A 14 26.359 0.125 -6.254 1.00 0.00 C ATOM 237 CZ3 TRP A 14 28.381 1.149 -5.338 1.00 0.00 C ATOM 238 CH2 TRP A 14 27.203 0.395 -5.156 1.00 0.00 C ATOM 0 H TRP A 14 31.230 2.210 -8.876 1.00 0.00 H new ATOM 0 HA TRP A 14 29.566 0.608 -10.658 1.00 0.00 H new ATOM 0 HB2 TRP A 14 29.559 3.137 -9.060 1.00 0.00 H new ATOM 0 HB3 TRP A 14 28.572 3.226 -10.506 1.00 0.00 H new ATOM 0 HD1 TRP A 14 26.614 1.296 -10.761 1.00 0.00 H new ATOM 0 HE1 TRP A 14 25.244 0.050 -8.959 1.00 0.00 H new ATOM 0 HE3 TRP A 14 29.623 2.213 -6.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 25.458 -0.454 -6.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 29.026 1.353 -4.496 1.00 0.00 H new ATOM 0 HH2 TRP A 14 26.947 0.024 -4.175 1.00 0.00 H new ATOM 249 N LYS A 15 31.078 3.254 -11.890 1.00 0.00 N ATOM 250 CA LYS A 15 31.444 3.889 -13.181 1.00 0.00 C ATOM 251 C LYS A 15 32.906 3.585 -13.514 1.00 0.00 C ATOM 252 O LYS A 15 33.797 4.365 -13.242 1.00 0.00 O ATOM 253 CB LYS A 15 31.220 5.378 -12.941 1.00 0.00 C ATOM 254 CG LYS A 15 31.491 6.154 -14.231 1.00 0.00 C ATOM 255 CD LYS A 15 30.245 6.114 -15.119 1.00 0.00 C ATOM 256 CE LYS A 15 29.845 7.540 -15.501 1.00 0.00 C ATOM 257 NZ LYS A 15 29.497 7.463 -16.948 1.00 0.00 N ATOM 0 H LYS A 15 31.450 3.714 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 15 30.858 3.524 -14.025 1.00 0.00 H new ATOM 0 HB2 LYS A 15 30.197 5.553 -12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 15 31.878 5.731 -12.147 1.00 0.00 H new ATOM 0 HG2 LYS A 15 31.753 7.186 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 15 32.341 5.720 -14.758 1.00 0.00 H new ATOM 0 HD2 LYS A 15 30.444 5.528 -16.016 1.00 0.00 H new ATOM 0 HD3 LYS A 15 29.426 5.624 -14.593 1.00 0.00 H new ATOM 0 HE2 LYS A 15 28.998 7.885 -14.908 1.00 0.00 H new ATOM 0 HE3 LYS A 15 30.662 8.240 -15.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 29.211 8.404 -17.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 30.325 7.137 -17.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 28.712 6.794 -17.081 1.00 0.00 H new ATOM 271 N GLY A 16 33.151 2.442 -14.093 1.00 0.00 N ATOM 272 CA GLY A 16 34.545 2.051 -14.444 1.00 0.00 C ATOM 273 C GLY A 16 34.580 0.537 -14.673 1.00 0.00 C ATOM 274 O GLY A 16 34.397 0.073 -15.781 1.00 0.00 O ATOM 0 H GLY A 16 32.438 1.756 -14.340 1.00 0.00 H new ATOM 0 HA2 GLY A 16 34.872 2.578 -15.340 1.00 0.00 H new ATOM 0 HA3 GLY A 16 35.230 2.329 -13.643 1.00 0.00 H new ATOM 278 N PRO A 17 34.799 -0.187 -13.606 1.00 0.00 N ATOM 279 CA PRO A 17 34.838 -1.664 -13.685 1.00 0.00 C ATOM 280 C PRO A 17 33.404 -2.206 -13.741 1.00 0.00 C ATOM 281 O PRO A 17 32.488 -1.505 -14.124 1.00 0.00 O ATOM 282 CB PRO A 17 35.539 -2.070 -12.389 1.00 0.00 C ATOM 283 CG PRO A 17 35.288 -0.946 -11.431 1.00 0.00 C ATOM 284 CD PRO A 17 35.032 0.301 -12.241 1.00 0.00 C ATOM 0 HA PRO A 17 35.350 -2.050 -14.566 1.00 0.00 H new ATOM 0 HB2 PRO A 17 35.141 -3.009 -12.005 1.00 0.00 H new ATOM 0 HB3 PRO A 17 36.607 -2.218 -12.550 1.00 0.00 H new ATOM 0 HG2 PRO A 17 34.432 -1.170 -10.794 1.00 0.00 H new ATOM 0 HG3 PRO A 17 36.146 -0.805 -10.774 1.00 0.00 H new ATOM 0 HD2 PRO A 17 34.169 0.849 -11.863 1.00 0.00 H new ATOM 0 HD3 PRO A 17 35.883 0.981 -12.203 1.00 0.00 H new ATOM 292 N ARG A 18 33.194 -3.440 -13.364 1.00 0.00 N ATOM 293 CA ARG A 18 31.813 -4.002 -13.396 1.00 0.00 C ATOM 294 C ARG A 18 30.855 -3.088 -12.619 1.00 0.00 C ATOM 295 O ARG A 18 31.233 -2.033 -12.148 1.00 0.00 O ATOM 296 CB ARG A 18 31.928 -5.392 -12.736 1.00 0.00 C ATOM 297 CG ARG A 18 31.964 -5.282 -11.199 1.00 0.00 C ATOM 298 CD ARG A 18 33.276 -4.631 -10.749 1.00 0.00 C ATOM 299 NE ARG A 18 34.367 -5.467 -11.346 1.00 0.00 N ATOM 300 CZ ARG A 18 34.435 -6.752 -11.094 1.00 0.00 C ATOM 301 NH1 ARG A 18 33.831 -7.252 -10.048 1.00 0.00 N ATOM 302 NH2 ARG A 18 35.111 -7.535 -11.890 1.00 0.00 N ATOM 0 H ARG A 18 33.917 -4.081 -13.036 1.00 0.00 H new ATOM 0 HA ARG A 18 31.414 -4.078 -14.408 1.00 0.00 H new ATOM 0 HB2 ARG A 18 31.084 -6.011 -13.039 1.00 0.00 H new ATOM 0 HB3 ARG A 18 32.831 -5.890 -13.088 1.00 0.00 H new ATOM 0 HG2 ARG A 18 31.117 -4.692 -10.849 1.00 0.00 H new ATOM 0 HG3 ARG A 18 31.869 -6.272 -10.753 1.00 0.00 H new ATOM 0 HD2 ARG A 18 33.340 -3.599 -11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 18 33.350 -4.609 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 18 35.062 -5.033 -11.953 1.00 0.00 H new ATOM 0 HH11 ARG A 18 33.304 -6.642 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 18 33.887 -8.252 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 18 35.585 -7.147 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 18 35.166 -8.535 -11.696 1.00 0.00 H new ATOM 316 N ARG A 19 29.624 -3.488 -12.467 1.00 0.00 N ATOM 317 CA ARG A 19 28.665 -2.637 -11.709 1.00 0.00 C ATOM 318 C ARG A 19 27.643 -3.505 -10.971 1.00 0.00 C ATOM 319 O ARG A 19 27.403 -3.331 -9.794 1.00 0.00 O ATOM 320 CB ARG A 19 27.974 -1.775 -12.766 1.00 0.00 C ATOM 321 CG ARG A 19 27.191 -0.659 -12.074 1.00 0.00 C ATOM 322 CD ARG A 19 26.337 0.082 -13.105 1.00 0.00 C ATOM 323 NE ARG A 19 24.940 -0.026 -12.597 1.00 0.00 N ATOM 324 CZ ARG A 19 23.983 0.647 -13.173 1.00 0.00 C ATOM 325 NH1 ARG A 19 23.830 1.917 -12.915 1.00 0.00 N ATOM 326 NH2 ARG A 19 23.178 0.050 -14.009 1.00 0.00 N ATOM 0 H ARG A 19 29.242 -4.361 -12.832 1.00 0.00 H new ATOM 0 HA ARG A 19 29.166 -2.032 -10.953 1.00 0.00 H new ATOM 0 HB2 ARG A 19 28.713 -1.350 -13.445 1.00 0.00 H new ATOM 0 HB3 ARG A 19 27.302 -2.387 -13.369 1.00 0.00 H new ATOM 0 HG2 ARG A 19 26.556 -1.077 -11.293 1.00 0.00 H new ATOM 0 HG3 ARG A 19 27.878 0.035 -11.589 1.00 0.00 H new ATOM 0 HD2 ARG A 19 26.644 1.124 -13.197 1.00 0.00 H new ATOM 0 HD3 ARG A 19 26.433 -0.367 -14.094 1.00 0.00 H new ATOM 0 HE ARG A 19 24.732 -0.626 -11.799 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.459 2.384 -12.262 1.00 0.00 H new ATOM 0 HH12 ARG A 19 23.081 2.442 -13.366 1.00 0.00 H new ATOM 0 HH21 ARG A 19 23.298 -0.943 -14.212 1.00 0.00 H new ATOM 0 HH22 ARG A 19 22.429 0.576 -14.460 1.00 0.00 H new ATOM 340 N GLY A 20 27.035 -4.437 -11.653 1.00 0.00 N ATOM 341 CA GLY A 20 26.026 -5.310 -10.987 1.00 0.00 C ATOM 342 C GLY A 20 26.648 -5.970 -9.754 1.00 0.00 C ATOM 343 O GLY A 20 26.020 -6.094 -8.722 1.00 0.00 O ATOM 0 H GLY A 20 27.193 -4.632 -12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 20 25.156 -4.721 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 20 25.676 -6.073 -11.682 1.00 0.00 H new ATOM 347 N GLU A 21 27.877 -6.396 -9.852 1.00 0.00 N ATOM 348 CA GLU A 21 28.535 -7.050 -8.683 1.00 0.00 C ATOM 349 C GLU A 21 28.767 -6.031 -7.564 1.00 0.00 C ATOM 350 O GLU A 21 28.754 -6.365 -6.396 1.00 0.00 O ATOM 351 CB GLU A 21 29.868 -7.570 -9.221 1.00 0.00 C ATOM 352 CG GLU A 21 29.725 -9.048 -9.594 1.00 0.00 C ATOM 353 CD GLU A 21 30.827 -9.435 -10.582 1.00 0.00 C ATOM 354 OE1 GLU A 21 31.951 -9.616 -10.144 1.00 0.00 O ATOM 355 OE2 GLU A 21 30.528 -9.544 -11.760 1.00 0.00 O ATOM 0 H GLU A 21 28.455 -6.320 -10.689 1.00 0.00 H new ATOM 0 HA GLU A 21 27.926 -7.849 -8.260 1.00 0.00 H new ATOM 0 HB2 GLU A 21 30.171 -6.991 -10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 21 30.648 -7.447 -8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 21 29.790 -9.667 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 21 28.745 -9.229 -10.036 1.00 0.00 H new ATOM 362 N ILE A 22 28.978 -4.791 -7.910 1.00 0.00 N ATOM 363 CA ILE A 22 29.209 -3.754 -6.863 1.00 0.00 C ATOM 364 C ILE A 22 27.928 -3.514 -6.070 1.00 0.00 C ATOM 365 O ILE A 22 27.887 -3.689 -4.869 1.00 0.00 O ATOM 366 CB ILE A 22 29.605 -2.493 -7.630 1.00 0.00 C ATOM 367 CG1 ILE A 22 30.835 -2.778 -8.493 1.00 0.00 C ATOM 368 CG2 ILE A 22 29.923 -1.372 -6.639 1.00 0.00 C ATOM 369 CD1 ILE A 22 31.961 -3.341 -7.622 1.00 0.00 C ATOM 0 H ILE A 22 29.001 -4.450 -8.871 1.00 0.00 H new ATOM 0 HA ILE A 22 29.976 -4.054 -6.149 1.00 0.00 H new ATOM 0 HB ILE A 22 28.779 -2.187 -8.272 1.00 0.00 H new ATOM 0 HG12 ILE A 22 30.582 -3.489 -9.280 1.00 0.00 H new ATOM 0 HG13 ILE A 22 31.166 -1.863 -8.984 1.00 0.00 H new ATOM 0 HG21 ILE A 22 30.206 -0.472 -7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.043 -1.165 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 22 30.747 -1.679 -5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 22 32.835 -3.542 -8.242 1.00 0.00 H new ATOM 0 HD12 ILE A 22 32.222 -2.616 -6.851 1.00 0.00 H new ATOM 0 HD13 ILE A 22 31.629 -4.267 -7.152 1.00 0.00 H new ATOM 381 N GLU A 23 26.882 -3.112 -6.731 1.00 0.00 N ATOM 382 CA GLU A 23 25.607 -2.864 -6.014 1.00 0.00 C ATOM 383 C GLU A 23 25.189 -4.126 -5.260 1.00 0.00 C ATOM 384 O GLU A 23 24.550 -4.062 -4.226 1.00 0.00 O ATOM 385 CB GLU A 23 24.618 -2.487 -7.119 1.00 0.00 C ATOM 386 CG GLU A 23 23.316 -1.991 -6.498 1.00 0.00 C ATOM 387 CD GLU A 23 22.213 -3.028 -6.723 1.00 0.00 C ATOM 388 OE1 GLU A 23 22.082 -3.913 -5.894 1.00 0.00 O ATOM 389 OE2 GLU A 23 21.519 -2.919 -7.720 1.00 0.00 O ATOM 0 H GLU A 23 26.856 -2.945 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 23 25.671 -2.077 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 23 25.047 -1.713 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.423 -3.350 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 23 23.453 -1.817 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 23 23.029 -1.038 -6.942 1.00 0.00 H new ATOM 396 N GLU A 24 25.579 -5.274 -5.739 1.00 0.00 N ATOM 397 CA GLU A 24 25.235 -6.522 -5.009 1.00 0.00 C ATOM 398 C GLU A 24 25.941 -6.483 -3.656 1.00 0.00 C ATOM 399 O GLU A 24 25.374 -6.792 -2.622 1.00 0.00 O ATOM 400 CB GLU A 24 25.776 -7.659 -5.875 1.00 0.00 C ATOM 401 CG GLU A 24 25.605 -8.989 -5.139 1.00 0.00 C ATOM 402 CD GLU A 24 25.210 -10.076 -6.141 1.00 0.00 C ATOM 403 OE1 GLU A 24 24.085 -10.041 -6.611 1.00 0.00 O ATOM 404 OE2 GLU A 24 26.040 -10.925 -6.421 1.00 0.00 O ATOM 0 H GLU A 24 26.116 -5.400 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 24 24.166 -6.646 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 24 25.247 -7.688 -6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.829 -7.489 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.533 -9.262 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 24 24.841 -8.895 -4.367 1.00 0.00 H new ATOM 411 N LEU A 25 27.178 -6.071 -3.662 1.00 0.00 N ATOM 412 CA LEU A 25 27.934 -5.973 -2.388 1.00 0.00 C ATOM 413 C LEU A 25 27.237 -4.981 -1.465 1.00 0.00 C ATOM 414 O LEU A 25 27.164 -5.187 -0.278 1.00 0.00 O ATOM 415 CB LEU A 25 29.324 -5.454 -2.762 1.00 0.00 C ATOM 416 CG LEU A 25 30.395 -6.290 -2.048 1.00 0.00 C ATOM 417 CD1 LEU A 25 31.770 -5.677 -2.307 1.00 0.00 C ATOM 418 CD2 LEU A 25 30.127 -6.304 -0.539 1.00 0.00 C ATOM 0 H LEU A 25 27.697 -5.798 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 25 27.994 -6.932 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 25 29.465 -5.509 -3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 25 29.420 -4.405 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 25 30.365 -7.311 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 25 32.533 -6.268 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 25 31.969 -5.669 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 25 31.791 -4.656 -1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 25 30.891 -6.899 -0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 25 30.153 -5.284 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 29.146 -6.739 -0.348 1.00 0.00 H new ATOM 430 N HIS A 26 26.717 -3.907 -2.005 1.00 0.00 N ATOM 431 CA HIS A 26 26.013 -2.911 -1.145 1.00 0.00 C ATOM 432 C HIS A 26 24.910 -3.621 -0.354 1.00 0.00 C ATOM 433 O HIS A 26 24.763 -3.423 0.835 1.00 0.00 O ATOM 434 CB HIS A 26 25.440 -1.871 -2.112 1.00 0.00 C ATOM 435 CG HIS A 26 24.465 -0.986 -1.388 1.00 0.00 C ATOM 436 ND1 HIS A 26 24.855 -0.078 -0.414 1.00 0.00 N ATOM 437 CD2 HIS A 26 23.108 -0.873 -1.484 1.00 0.00 C ATOM 438 CE1 HIS A 26 23.742 0.536 0.033 1.00 0.00 C ATOM 439 NE2 HIS A 26 22.648 0.085 -0.586 1.00 0.00 N ATOM 0 H HIS A 26 26.750 -3.679 -2.999 1.00 0.00 H new ATOM 0 HA HIS A 26 26.669 -2.435 -0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 26 26.246 -1.271 -2.534 1.00 0.00 H new ATOM 0 HB3 HIS A 26 24.944 -2.370 -2.945 1.00 0.00 H new ATOM 0 HD1 HIS A 26 25.809 0.093 -0.095 1.00 0.00 H new ATOM 0 HD2 HIS A 26 22.484 -1.443 -2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 26 23.735 1.299 0.798 1.00 0.00 H new ATOM 447 N LYS A 27 24.149 -4.471 -0.991 1.00 0.00 N ATOM 448 CA LYS A 27 23.089 -5.204 -0.240 1.00 0.00 C ATOM 449 C LYS A 27 23.750 -5.949 0.922 1.00 0.00 C ATOM 450 O LYS A 27 23.265 -5.958 2.040 1.00 0.00 O ATOM 451 CB LYS A 27 22.488 -6.188 -1.243 1.00 0.00 C ATOM 452 CG LYS A 27 21.664 -5.420 -2.278 1.00 0.00 C ATOM 453 CD LYS A 27 20.335 -6.141 -2.508 1.00 0.00 C ATOM 454 CE LYS A 27 19.987 -6.105 -3.997 1.00 0.00 C ATOM 455 NZ LYS A 27 19.769 -4.663 -4.303 1.00 0.00 N ATOM 0 H LYS A 27 24.214 -4.688 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 27 22.321 -4.549 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 27 23.281 -6.750 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 27 21.859 -6.912 -0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 27 21.483 -4.402 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 27 22.216 -5.345 -3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.405 -7.173 -2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.545 -5.665 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 27 20.793 -6.520 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.094 -6.694 -4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.901 -4.555 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.675 -4.130 -3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.579 -4.296 -4.843 1.00 0.00 H new ATOM 469 N LYS A 28 24.877 -6.556 0.660 1.00 0.00 N ATOM 470 CA LYS A 28 25.598 -7.283 1.741 1.00 0.00 C ATOM 471 C LYS A 28 25.952 -6.309 2.870 1.00 0.00 C ATOM 472 O LYS A 28 25.882 -6.644 4.033 1.00 0.00 O ATOM 473 CB LYS A 28 26.872 -7.817 1.082 1.00 0.00 C ATOM 474 CG LYS A 28 26.879 -9.346 1.142 1.00 0.00 C ATOM 475 CD LYS A 28 26.671 -9.912 -0.264 1.00 0.00 C ATOM 476 CE LYS A 28 25.484 -10.874 -0.255 1.00 0.00 C ATOM 477 NZ LYS A 28 25.996 -12.122 -0.890 1.00 0.00 N ATOM 0 H LYS A 28 25.328 -6.579 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 28 24.999 -8.084 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 28 26.925 -7.483 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 28 27.750 -7.419 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 28 27.825 -9.700 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.091 -9.698 1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.491 -9.102 -0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 28 27.571 -10.430 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 28 25.136 -11.062 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.640 -10.465 -0.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 25.237 -12.833 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 26.314 -11.914 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 26.794 -12.492 -0.335 1.00 0.00 H new ATOM 491 N PHE A 29 26.326 -5.102 2.527 1.00 0.00 N ATOM 492 CA PHE A 29 26.683 -4.099 3.568 1.00 0.00 C ATOM 493 C PHE A 29 25.473 -3.827 4.452 1.00 0.00 C ATOM 494 O PHE A 29 25.604 -3.572 5.626 1.00 0.00 O ATOM 495 CB PHE A 29 27.095 -2.837 2.797 1.00 0.00 C ATOM 496 CG PHE A 29 28.467 -3.004 2.150 1.00 0.00 C ATOM 497 CD1 PHE A 29 29.218 -4.200 2.305 1.00 0.00 C ATOM 498 CD2 PHE A 29 28.999 -1.941 1.385 1.00 0.00 C ATOM 499 CE1 PHE A 29 30.487 -4.323 1.698 1.00 0.00 C ATOM 500 CE2 PHE A 29 30.269 -2.068 0.778 1.00 0.00 C ATOM 501 CZ PHE A 29 31.012 -3.258 0.935 1.00 0.00 C ATOM 0 H PHE A 29 26.399 -4.770 1.565 1.00 0.00 H new ATOM 0 HA PHE A 29 27.487 -4.442 4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.353 -2.619 2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 29 27.112 -1.984 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 29 28.818 -5.016 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 29 28.433 -1.029 1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 29 31.056 -5.233 1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 29 30.671 -1.254 0.193 1.00 0.00 H new ATOM 0 HZ PHE A 29 31.983 -3.354 0.471 1.00 0.00 H new ATOM 511 N HIS A 30 24.291 -3.898 3.908 1.00 0.00 N ATOM 512 CA HIS A 30 23.088 -3.664 4.751 1.00 0.00 C ATOM 513 C HIS A 30 22.989 -4.794 5.771 1.00 0.00 C ATOM 514 O HIS A 30 22.698 -4.578 6.930 1.00 0.00 O ATOM 515 CB HIS A 30 21.906 -3.677 3.781 1.00 0.00 C ATOM 516 CG HIS A 30 20.619 -3.583 4.554 1.00 0.00 C ATOM 517 ND1 HIS A 30 20.049 -2.367 4.896 1.00 0.00 N ATOM 518 CD2 HIS A 30 19.779 -4.545 5.058 1.00 0.00 C ATOM 519 CE1 HIS A 30 18.917 -2.626 5.575 1.00 0.00 C ATOM 520 NE2 HIS A 30 18.705 -3.939 5.703 1.00 0.00 N ATOM 0 H HIS A 30 24.107 -4.106 2.926 1.00 0.00 H new ATOM 0 HA HIS A 30 23.118 -2.724 5.303 1.00 0.00 H new ATOM 0 HB2 HIS A 30 21.985 -2.843 3.084 1.00 0.00 H new ATOM 0 HB3 HIS A 30 21.920 -4.591 3.187 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.929 -5.611 4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.259 -1.865 5.969 1.00 0.00 H new ATOM 0 HE2 HIS A 30 17.924 -4.398 6.172 1.00 0.00 H new ATOM 528 N GLU A 31 23.270 -5.998 5.355 1.00 0.00 N ATOM 529 CA GLU A 31 23.238 -7.139 6.313 1.00 0.00 C ATOM 530 C GLU A 31 24.584 -7.220 7.057 1.00 0.00 C ATOM 531 O GLU A 31 24.787 -8.064 7.907 1.00 0.00 O ATOM 532 CB GLU A 31 23.025 -8.381 5.447 1.00 0.00 C ATOM 533 CG GLU A 31 21.982 -9.288 6.103 1.00 0.00 C ATOM 534 CD GLU A 31 21.986 -10.653 5.413 1.00 0.00 C ATOM 535 OE1 GLU A 31 22.971 -11.360 5.549 1.00 0.00 O ATOM 536 OE2 GLU A 31 21.005 -10.967 4.760 1.00 0.00 O ATOM 0 H GLU A 31 23.520 -6.241 4.396 1.00 0.00 H new ATOM 0 HA GLU A 31 22.455 -7.036 7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 31 22.694 -8.090 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 31 23.965 -8.919 5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 31 22.202 -9.405 7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.993 -8.835 6.030 1.00 0.00 H new ATOM 543 N LEU A 32 25.502 -6.342 6.732 1.00 0.00 N ATOM 544 CA LEU A 32 26.841 -6.340 7.393 1.00 0.00 C ATOM 545 C LEU A 32 26.826 -5.435 8.626 1.00 0.00 C ATOM 546 O LEU A 32 27.400 -5.746 9.651 1.00 0.00 O ATOM 547 CB LEU A 32 27.772 -5.736 6.332 1.00 0.00 C ATOM 548 CG LEU A 32 29.233 -6.131 6.578 1.00 0.00 C ATOM 549 CD1 LEU A 32 30.037 -5.841 5.309 1.00 0.00 C ATOM 550 CD2 LEU A 32 29.824 -5.306 7.724 1.00 0.00 C ATOM 0 H LEU A 32 25.376 -5.617 6.026 1.00 0.00 H new ATOM 0 HA LEU A 32 27.144 -7.333 7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 32 27.464 -6.073 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 32 27.681 -4.650 6.342 1.00 0.00 H new ATOM 0 HG LEU A 32 29.277 -7.189 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 32 31.080 -6.117 5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 32 29.630 -6.421 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 32 29.975 -4.779 5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 32 30.861 -5.599 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 32 29.781 -4.247 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 32 29.251 -5.484 8.634 1.00 0.00 H new ATOM 562 N ILE A 33 26.203 -4.295 8.516 1.00 0.00 N ATOM 563 CA ILE A 33 26.192 -3.337 9.655 1.00 0.00 C ATOM 564 C ILE A 33 24.763 -3.059 10.138 1.00 0.00 C ATOM 565 O ILE A 33 24.555 -2.411 11.145 1.00 0.00 O ATOM 566 CB ILE A 33 26.835 -2.083 9.071 1.00 0.00 C ATOM 567 CG1 ILE A 33 25.911 -1.541 7.937 1.00 0.00 C ATOM 568 CG2 ILE A 33 28.258 -2.471 8.600 1.00 0.00 C ATOM 569 CD1 ILE A 33 26.638 -1.343 6.599 1.00 0.00 C ATOM 0 H ILE A 33 25.700 -3.985 7.684 1.00 0.00 H new ATOM 0 HA ILE A 33 26.720 -3.715 10.530 1.00 0.00 H new ATOM 0 HB ILE A 33 26.941 -1.274 9.794 1.00 0.00 H new ATOM 0 HG12 ILE A 33 25.082 -2.234 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 33 25.481 -0.590 8.252 1.00 0.00 H new ATOM 0 HG21 ILE A 33 28.751 -1.597 8.175 1.00 0.00 H new ATOM 0 HG22 ILE A 33 28.835 -2.836 9.449 1.00 0.00 H new ATOM 0 HG23 ILE A 33 28.190 -3.253 7.844 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.936 -0.964 5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 33 27.450 -0.628 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.045 -2.296 6.261 1.00 0.00 H new ATOM 652 N GLU B 4 36.543 -6.794 -4.603 1.00 0.00 N ATOM 653 CA GLU B 4 37.130 -7.130 -3.274 1.00 0.00 C ATOM 654 C GLU B 4 37.718 -5.873 -2.624 1.00 0.00 C ATOM 655 O GLU B 4 37.911 -5.817 -1.427 1.00 0.00 O ATOM 656 CB GLU B 4 38.234 -8.145 -3.573 1.00 0.00 C ATOM 657 CG GLU B 4 37.931 -9.457 -2.846 1.00 0.00 C ATOM 658 CD GLU B 4 39.236 -10.215 -2.596 1.00 0.00 C ATOM 659 OE1 GLU B 4 39.893 -9.914 -1.613 1.00 0.00 O ATOM 660 OE2 GLU B 4 39.555 -11.084 -3.391 1.00 0.00 O ATOM 0 HA GLU B 4 36.387 -7.528 -2.583 1.00 0.00 H new ATOM 0 HB2 GLU B 4 38.302 -8.319 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU B 4 39.199 -7.754 -3.252 1.00 0.00 H new ATOM 0 HG2 GLU B 4 37.429 -9.253 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU B 4 37.252 -10.067 -3.442 1.00 0.00 H new ATOM 667 N GLU B 5 38.008 -4.869 -3.405 1.00 0.00 N ATOM 668 CA GLU B 5 38.585 -3.618 -2.836 1.00 0.00 C ATOM 669 C GLU B 5 37.532 -2.860 -2.023 1.00 0.00 C ATOM 670 O GLU B 5 37.780 -2.437 -0.915 1.00 0.00 O ATOM 671 CB GLU B 5 39.002 -2.797 -4.051 1.00 0.00 C ATOM 672 CG GLU B 5 40.510 -2.933 -4.269 1.00 0.00 C ATOM 673 CD GLU B 5 40.789 -3.191 -5.751 1.00 0.00 C ATOM 674 OE1 GLU B 5 40.156 -2.549 -6.573 1.00 0.00 O ATOM 675 OE2 GLU B 5 41.631 -4.025 -6.039 1.00 0.00 O ATOM 0 H GLU B 5 37.870 -4.861 -4.416 1.00 0.00 H new ATOM 0 HA GLU B 5 39.418 -3.820 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU B 5 38.464 -3.139 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU B 5 38.739 -1.750 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU B 5 41.019 -2.025 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU B 5 40.903 -3.751 -3.666 1.00 0.00 H new ATOM 682 N LEU B 6 36.361 -2.680 -2.569 1.00 0.00 N ATOM 683 CA LEU B 6 35.296 -1.943 -1.825 1.00 0.00 C ATOM 684 C LEU B 6 34.903 -2.717 -0.566 1.00 0.00 C ATOM 685 O LEU B 6 34.637 -2.146 0.476 1.00 0.00 O ATOM 686 CB LEU B 6 34.113 -1.875 -2.799 1.00 0.00 C ATOM 687 CG LEU B 6 33.563 -0.446 -2.863 1.00 0.00 C ATOM 688 CD1 LEU B 6 32.582 -0.325 -4.032 1.00 0.00 C ATOM 689 CD2 LEU B 6 32.825 -0.122 -1.566 1.00 0.00 C ATOM 0 H LEU B 6 36.094 -3.010 -3.496 1.00 0.00 H new ATOM 0 HA LEU B 6 35.622 -0.954 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU B 6 34.430 -2.195 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU B 6 33.329 -2.561 -2.479 1.00 0.00 H new ATOM 0 HG LEU B 6 34.392 0.248 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU B 6 32.192 0.692 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU B 6 33.097 -0.557 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU B 6 31.758 -1.024 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU B 6 32.435 0.895 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU B 6 32.000 -0.822 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU B 6 33.513 -0.207 -0.725 1.00 0.00 H new ATOM 701 N GLU B 7 34.861 -4.016 -0.655 1.00 0.00 N ATOM 702 CA GLU B 7 34.475 -4.830 0.535 1.00 0.00 C ATOM 703 C GLU B 7 35.529 -4.710 1.637 1.00 0.00 C ATOM 704 O GLU B 7 35.213 -4.528 2.798 1.00 0.00 O ATOM 705 CB GLU B 7 34.403 -6.267 0.027 1.00 0.00 C ATOM 706 CG GLU B 7 33.349 -7.035 0.828 1.00 0.00 C ATOM 707 CD GLU B 7 34.023 -8.175 1.594 1.00 0.00 C ATOM 708 OE1 GLU B 7 34.396 -9.149 0.961 1.00 0.00 O ATOM 709 OE2 GLU B 7 34.156 -8.055 2.801 1.00 0.00 O ATOM 0 H GLU B 7 35.076 -4.550 -1.497 1.00 0.00 H new ATOM 0 HA GLU B 7 33.530 -4.497 0.965 1.00 0.00 H new ATOM 0 HB2 GLU B 7 34.150 -6.278 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU B 7 35.375 -6.749 0.127 1.00 0.00 H new ATOM 0 HG2 GLU B 7 32.844 -6.364 1.523 1.00 0.00 H new ATOM 0 HG3 GLU B 7 32.586 -7.433 0.159 1.00 0.00 H new ATOM 716 N LYS B 8 36.778 -4.819 1.284 1.00 0.00 N ATOM 717 CA LYS B 8 37.851 -4.722 2.313 1.00 0.00 C ATOM 718 C LYS B 8 37.838 -3.345 2.969 1.00 0.00 C ATOM 719 O LYS B 8 37.882 -3.231 4.174 1.00 0.00 O ATOM 720 CB LYS B 8 39.159 -4.949 1.555 1.00 0.00 C ATOM 721 CG LYS B 8 39.856 -6.196 2.103 1.00 0.00 C ATOM 722 CD LYS B 8 39.539 -7.394 1.204 1.00 0.00 C ATOM 723 CE LYS B 8 40.782 -8.274 1.070 1.00 0.00 C ATOM 724 NZ LYS B 8 40.430 -9.541 1.772 1.00 0.00 N ATOM 0 H LYS B 8 37.103 -4.971 0.329 1.00 0.00 H new ATOM 0 HA LYS B 8 37.717 -5.450 3.113 1.00 0.00 H new ATOM 0 HB2 LYS B 8 38.959 -5.070 0.490 1.00 0.00 H new ATOM 0 HB3 LYS B 8 39.809 -4.080 1.661 1.00 0.00 H new ATOM 0 HG2 LYS B 8 40.933 -6.035 2.146 1.00 0.00 H new ATOM 0 HG3 LYS B 8 39.523 -6.394 3.122 1.00 0.00 H new ATOM 0 HD2 LYS B 8 38.716 -7.971 1.626 1.00 0.00 H new ATOM 0 HD3 LYS B 8 39.217 -7.050 0.221 1.00 0.00 H new ATOM 0 HE2 LYS B 8 41.026 -8.456 0.024 1.00 0.00 H new ATOM 0 HE3 LYS B 8 41.653 -7.800 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 41.234 -10.199 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 40.209 -9.336 2.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 39.602 -9.973 1.315 1.00 0.00 H new ATOM 738 N LYS B 9 37.764 -2.302 2.196 1.00 0.00 N ATOM 739 CA LYS B 9 37.733 -0.941 2.799 1.00 0.00 C ATOM 740 C LYS B 9 36.536 -0.842 3.736 1.00 0.00 C ATOM 741 O LYS B 9 36.538 -0.101 4.701 1.00 0.00 O ATOM 742 CB LYS B 9 37.581 0.016 1.617 1.00 0.00 C ATOM 743 CG LYS B 9 38.961 0.515 1.185 1.00 0.00 C ATOM 744 CD LYS B 9 39.292 1.808 1.933 1.00 0.00 C ATOM 745 CE LYS B 9 40.808 1.926 2.102 1.00 0.00 C ATOM 746 NZ LYS B 9 41.101 1.251 3.398 1.00 0.00 N ATOM 0 H LYS B 9 37.724 -2.330 1.177 1.00 0.00 H new ATOM 0 HA LYS B 9 38.626 -0.711 3.381 1.00 0.00 H new ATOM 0 HB2 LYS B 9 37.089 -0.490 0.786 1.00 0.00 H new ATOM 0 HB3 LYS B 9 36.949 0.859 1.896 1.00 0.00 H new ATOM 0 HG2 LYS B 9 39.716 -0.243 1.395 1.00 0.00 H new ATOM 0 HG3 LYS B 9 38.976 0.690 0.109 1.00 0.00 H new ATOM 0 HD2 LYS B 9 38.909 2.667 1.383 1.00 0.00 H new ATOM 0 HD3 LYS B 9 38.805 1.811 2.908 1.00 0.00 H new ATOM 0 HE2 LYS B 9 41.336 1.446 1.278 1.00 0.00 H new ATOM 0 HE3 LYS B 9 41.124 2.969 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 42.123 1.290 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 40.589 1.734 4.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 40.795 0.258 3.349 1.00 0.00 H new ATOM 760 N PHE B 10 35.512 -1.594 3.454 1.00 0.00 N ATOM 761 CA PHE B 10 34.302 -1.564 4.313 1.00 0.00 C ATOM 762 C PHE B 10 34.609 -2.106 5.716 1.00 0.00 C ATOM 763 O PHE B 10 34.616 -1.372 6.687 1.00 0.00 O ATOM 764 CB PHE B 10 33.301 -2.471 3.588 1.00 0.00 C ATOM 765 CG PHE B 10 31.899 -1.983 3.838 1.00 0.00 C ATOM 766 CD1 PHE B 10 31.469 -0.765 3.273 1.00 0.00 C ATOM 767 CD2 PHE B 10 31.017 -2.745 4.634 1.00 0.00 C ATOM 768 CE1 PHE B 10 30.156 -0.304 3.502 1.00 0.00 C ATOM 769 CE2 PHE B 10 29.703 -2.286 4.865 1.00 0.00 C ATOM 770 CZ PHE B 10 29.273 -1.063 4.297 1.00 0.00 C ATOM 0 H PHE B 10 35.462 -2.232 2.660 1.00 0.00 H new ATOM 0 HA PHE B 10 33.922 -0.553 4.457 1.00 0.00 H new ATOM 0 HB2 PHE B 10 33.509 -2.476 2.518 1.00 0.00 H new ATOM 0 HB3 PHE B 10 33.407 -3.498 3.938 1.00 0.00 H new ATOM 0 HD1 PHE B 10 32.146 -0.184 2.664 1.00 0.00 H new ATOM 0 HD2 PHE B 10 31.348 -3.678 5.066 1.00 0.00 H new ATOM 0 HE1 PHE B 10 29.827 0.629 3.069 1.00 0.00 H new ATOM 0 HE2 PHE B 10 29.026 -2.867 5.474 1.00 0.00 H new ATOM 0 HZ PHE B 10 28.267 -0.711 4.473 1.00 0.00 H new ATOM 780 N LYS B 11 34.855 -3.381 5.837 1.00 0.00 N ATOM 781 CA LYS B 11 35.134 -3.957 7.185 1.00 0.00 C ATOM 782 C LYS B 11 36.379 -3.325 7.814 1.00 0.00 C ATOM 783 O LYS B 11 36.586 -3.399 9.010 1.00 0.00 O ATOM 784 CB LYS B 11 35.358 -5.443 6.930 1.00 0.00 C ATOM 785 CG LYS B 11 35.396 -6.190 8.264 1.00 0.00 C ATOM 786 CD LYS B 11 33.999 -6.721 8.590 1.00 0.00 C ATOM 787 CE LYS B 11 34.110 -7.854 9.612 1.00 0.00 C ATOM 788 NZ LYS B 11 33.009 -8.795 9.259 1.00 0.00 N ATOM 0 H LYS B 11 34.875 -4.048 5.065 1.00 0.00 H new ATOM 0 HA LYS B 11 34.317 -3.771 7.882 1.00 0.00 H new ATOM 0 HB2 LYS B 11 34.560 -5.839 6.302 1.00 0.00 H new ATOM 0 HB3 LYS B 11 36.293 -5.593 6.390 1.00 0.00 H new ATOM 0 HG2 LYS B 11 36.107 -7.014 8.211 1.00 0.00 H new ATOM 0 HG3 LYS B 11 35.738 -5.524 9.056 1.00 0.00 H new ATOM 0 HD2 LYS B 11 33.377 -5.919 8.987 1.00 0.00 H new ATOM 0 HD3 LYS B 11 33.514 -7.081 7.683 1.00 0.00 H new ATOM 0 HE2 LYS B 11 35.082 -8.344 9.556 1.00 0.00 H new ATOM 0 HE3 LYS B 11 34.000 -7.481 10.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 33.018 -9.601 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 32.096 -8.302 9.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 33.144 -9.139 8.287 1.00 0.00 H new ATOM 802 N GLU B 12 37.207 -2.707 7.025 1.00 0.00 N ATOM 803 CA GLU B 12 38.436 -2.080 7.587 1.00 0.00 C ATOM 804 C GLU B 12 38.098 -0.741 8.236 1.00 0.00 C ATOM 805 O GLU B 12 38.750 -0.311 9.167 1.00 0.00 O ATOM 806 CB GLU B 12 39.364 -1.874 6.390 1.00 0.00 C ATOM 807 CG GLU B 12 40.303 -3.076 6.259 1.00 0.00 C ATOM 808 CD GLU B 12 39.481 -4.341 6.004 1.00 0.00 C ATOM 809 OE1 GLU B 12 38.791 -4.769 6.915 1.00 0.00 O ATOM 810 OE2 GLU B 12 39.554 -4.859 4.902 1.00 0.00 O ATOM 0 H GLU B 12 37.089 -2.608 6.017 1.00 0.00 H new ATOM 0 HA GLU B 12 38.896 -2.699 8.357 1.00 0.00 H new ATOM 0 HB2 GLU B 12 38.778 -1.756 5.478 1.00 0.00 H new ATOM 0 HB3 GLU B 12 39.943 -0.959 6.518 1.00 0.00 H new ATOM 0 HG2 GLU B 12 41.005 -2.915 5.441 1.00 0.00 H new ATOM 0 HG3 GLU B 12 40.893 -3.190 7.168 1.00 0.00 H new ATOM 817 N LEU B 13 37.086 -0.074 7.757 1.00 0.00 N ATOM 818 CA LEU B 13 36.725 1.234 8.360 1.00 0.00 C ATOM 819 C LEU B 13 35.909 1.016 9.636 1.00 0.00 C ATOM 820 O LEU B 13 36.024 1.761 10.589 1.00 0.00 O ATOM 821 CB LEU B 13 35.913 1.956 7.288 1.00 0.00 C ATOM 822 CG LEU B 13 36.836 2.922 6.542 1.00 0.00 C ATOM 823 CD1 LEU B 13 36.186 3.348 5.228 1.00 0.00 C ATOM 824 CD2 LEU B 13 37.088 4.157 7.408 1.00 0.00 C ATOM 0 H LEU B 13 36.498 -0.377 6.980 1.00 0.00 H new ATOM 0 HA LEU B 13 37.598 1.818 8.651 1.00 0.00 H new ATOM 0 HB2 LEU B 13 35.479 1.236 6.594 1.00 0.00 H new ATOM 0 HB3 LEU B 13 35.085 2.500 7.743 1.00 0.00 H new ATOM 0 HG LEU B 13 37.782 2.424 6.331 1.00 0.00 H new ATOM 0 HD11 LEU B 13 36.847 4.036 4.701 1.00 0.00 H new ATOM 0 HD12 LEU B 13 36.008 2.469 4.608 1.00 0.00 H new ATOM 0 HD13 LEU B 13 35.238 3.844 5.435 1.00 0.00 H new ATOM 0 HD21 LEU B 13 37.745 4.846 6.877 1.00 0.00 H new ATOM 0 HD22 LEU B 13 36.140 4.652 7.621 1.00 0.00 H new ATOM 0 HD23 LEU B 13 37.558 3.855 8.344 1.00 0.00 H new ATOM 836 N TRP B 14 35.101 -0.011 9.678 1.00 0.00 N ATOM 837 CA TRP B 14 34.306 -0.270 10.916 1.00 0.00 C ATOM 838 C TRP B 14 35.236 -0.718 12.037 1.00 0.00 C ATOM 839 O TRP B 14 35.135 -0.272 13.163 1.00 0.00 O ATOM 840 CB TRP B 14 33.355 -1.408 10.565 1.00 0.00 C ATOM 841 CG TRP B 14 31.982 -0.869 10.358 1.00 0.00 C ATOM 842 CD1 TRP B 14 31.095 -0.553 11.335 1.00 0.00 C ATOM 843 CD2 TRP B 14 31.325 -0.588 9.105 1.00 0.00 C ATOM 844 NE1 TRP B 14 29.933 -0.088 10.751 1.00 0.00 N ATOM 845 CE2 TRP B 14 30.022 -0.091 9.378 1.00 0.00 C ATOM 846 CE3 TRP B 14 31.732 -0.714 7.759 1.00 0.00 C ATOM 847 CZ2 TRP B 14 29.148 0.269 8.347 1.00 0.00 C ATOM 848 CZ3 TRP B 14 30.858 -0.356 6.714 1.00 0.00 C ATOM 849 CH2 TRP B 14 29.567 0.135 7.006 1.00 0.00 C ATOM 0 H TRP B 14 34.957 -0.676 8.918 1.00 0.00 H new ATOM 0 HA TRP B 14 33.773 0.621 11.248 1.00 0.00 H new ATOM 0 HB2 TRP B 14 33.697 -1.915 9.663 1.00 0.00 H new ATOM 0 HB3 TRP B 14 33.349 -2.149 11.364 1.00 0.00 H new ATOM 0 HD1 TRP B 14 31.269 -0.649 12.396 1.00 0.00 H new ATOM 0 HE1 TRP B 14 29.112 0.219 11.272 1.00 0.00 H new ATOM 0 HE3 TRP B 14 32.719 -1.087 7.529 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 28.162 0.646 8.575 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 31.176 -0.457 5.687 1.00 0.00 H new ATOM 0 HH2 TRP B 14 28.899 0.408 6.202 1.00 0.00 H new ATOM 860 N LYS B 15 36.137 -1.609 11.734 1.00 0.00 N ATOM 861 CA LYS B 15 37.072 -2.104 12.775 1.00 0.00 C ATOM 862 C LYS B 15 38.459 -1.494 12.560 1.00 0.00 C ATOM 863 O LYS B 15 39.327 -2.085 11.949 1.00 0.00 O ATOM 864 CB LYS B 15 37.086 -3.616 12.574 1.00 0.00 C ATOM 865 CG LYS B 15 37.962 -4.271 13.644 1.00 0.00 C ATOM 866 CD LYS B 15 37.148 -4.452 14.928 1.00 0.00 C ATOM 867 CE LYS B 15 37.217 -5.914 15.374 1.00 0.00 C ATOM 868 NZ LYS B 15 37.416 -5.853 16.849 1.00 0.00 N ATOM 0 H LYS B 15 36.265 -2.015 10.807 1.00 0.00 H new ATOM 0 HA LYS B 15 36.775 -1.834 13.788 1.00 0.00 H new ATOM 0 HB2 LYS B 15 36.071 -4.009 12.631 1.00 0.00 H new ATOM 0 HB3 LYS B 15 37.466 -3.857 11.581 1.00 0.00 H new ATOM 0 HG2 LYS B 15 38.325 -5.236 13.291 1.00 0.00 H new ATOM 0 HG3 LYS B 15 38.838 -3.653 13.840 1.00 0.00 H new ATOM 0 HD2 LYS B 15 37.537 -3.803 15.712 1.00 0.00 H new ATOM 0 HD3 LYS B 15 36.111 -4.161 14.758 1.00 0.00 H new ATOM 0 HE2 LYS B 15 36.302 -6.449 15.120 1.00 0.00 H new ATOM 0 HE3 LYS B 15 38.038 -6.438 14.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 37.473 -6.818 17.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 38.298 -5.344 17.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 36.615 -5.354 17.287 1.00 0.00 H new ATOM 882 N GLY B 16 38.660 -0.304 13.054 1.00 0.00 N ATOM 883 CA GLY B 16 39.973 0.377 12.884 1.00 0.00 C ATOM 884 C GLY B 16 39.780 1.875 13.144 1.00 0.00 C ATOM 885 O GLY B 16 39.925 2.335 14.259 1.00 0.00 O ATOM 0 H GLY B 16 37.963 0.230 13.573 1.00 0.00 H new ATOM 0 HA2 GLY B 16 40.707 -0.036 13.576 1.00 0.00 H new ATOM 0 HA3 GLY B 16 40.357 0.214 11.877 1.00 0.00 H new ATOM 889 N PRO B 17 39.439 2.585 12.100 1.00 0.00 N ATOM 890 CA PRO B 17 39.203 4.041 12.218 1.00 0.00 C ATOM 891 C PRO B 17 37.811 4.280 12.817 1.00 0.00 C ATOM 892 O PRO B 17 37.265 3.422 13.481 1.00 0.00 O ATOM 893 CB PRO B 17 39.280 4.531 10.772 1.00 0.00 C ATOM 894 CG PRO B 17 38.929 3.342 9.929 1.00 0.00 C ATOM 895 CD PRO B 17 39.250 2.101 10.727 1.00 0.00 C ATOM 0 HA PRO B 17 39.913 4.558 12.864 1.00 0.00 H new ATOM 0 HB2 PRO B 17 38.586 5.354 10.599 1.00 0.00 H new ATOM 0 HB3 PRO B 17 40.278 4.900 10.535 1.00 0.00 H new ATOM 0 HG2 PRO B 17 37.873 3.362 9.661 1.00 0.00 H new ATOM 0 HG3 PRO B 17 39.494 3.354 8.997 1.00 0.00 H new ATOM 0 HD2 PRO B 17 38.441 1.373 10.671 1.00 0.00 H new ATOM 0 HD3 PRO B 17 40.148 1.609 10.352 1.00 0.00 H new ATOM 903 N ARG B 18 37.230 5.429 12.593 1.00 0.00 N ATOM 904 CA ARG B 18 35.873 5.697 13.151 1.00 0.00 C ATOM 905 C ARG B 18 34.906 4.576 12.744 1.00 0.00 C ATOM 906 O ARG B 18 35.293 3.602 12.128 1.00 0.00 O ATOM 907 CB ARG B 18 35.451 7.054 12.551 1.00 0.00 C ATOM 908 CG ARG B 18 34.943 6.894 11.105 1.00 0.00 C ATOM 909 CD ARG B 18 36.102 6.507 10.180 1.00 0.00 C ATOM 910 NE ARG B 18 37.139 7.571 10.369 1.00 0.00 N ATOM 911 CZ ARG B 18 36.848 8.832 10.158 1.00 0.00 C ATOM 912 NH1 ARG B 18 35.815 9.156 9.425 1.00 0.00 N ATOM 913 NH2 ARG B 18 37.591 9.767 10.684 1.00 0.00 N ATOM 0 H ARG B 18 37.635 6.191 12.049 1.00 0.00 H new ATOM 0 HA ARG B 18 35.866 5.729 14.241 1.00 0.00 H new ATOM 0 HB2 ARG B 18 34.669 7.498 13.166 1.00 0.00 H new ATOM 0 HB3 ARG B 18 36.298 7.740 12.567 1.00 0.00 H new ATOM 0 HG2 ARG B 18 34.166 6.130 11.067 1.00 0.00 H new ATOM 0 HG3 ARG B 18 34.491 7.826 10.765 1.00 0.00 H new ATOM 0 HD2 ARG B 18 36.497 5.524 10.437 1.00 0.00 H new ATOM 0 HD3 ARG B 18 35.775 6.458 9.141 1.00 0.00 H new ATOM 0 HE ARG B 18 38.080 7.312 10.665 1.00 0.00 H new ATOM 0 HH11 ARG B 18 35.232 8.427 9.015 1.00 0.00 H new ATOM 0 HH12 ARG B 18 35.592 10.138 9.263 1.00 0.00 H new ATOM 0 HH21 ARG B 18 38.396 9.516 11.258 1.00 0.00 H new ATOM 0 HH22 ARG B 18 37.367 10.749 10.521 1.00 0.00 H new ATOM 927 N ARG B 19 33.651 4.710 13.068 1.00 0.00 N ATOM 928 CA ARG B 19 32.678 3.652 12.682 1.00 0.00 C ATOM 929 C ARG B 19 31.302 4.263 12.404 1.00 0.00 C ATOM 930 O ARG B 19 30.688 3.997 11.391 1.00 0.00 O ATOM 931 CB ARG B 19 32.613 2.710 13.884 1.00 0.00 C ATOM 932 CG ARG B 19 31.876 1.431 13.486 1.00 0.00 C ATOM 933 CD ARG B 19 31.632 0.571 14.728 1.00 0.00 C ATOM 934 NE ARG B 19 30.156 0.370 14.771 1.00 0.00 N ATOM 935 CZ ARG B 19 29.635 -0.461 15.632 1.00 0.00 C ATOM 936 NH1 ARG B 19 29.660 -1.745 15.396 1.00 0.00 N ATOM 937 NH2 ARG B 19 29.088 -0.010 16.727 1.00 0.00 N ATOM 0 H ARG B 19 33.259 5.500 13.580 1.00 0.00 H new ATOM 0 HA ARG B 19 32.981 3.133 11.773 1.00 0.00 H new ATOM 0 HB2 ARG B 19 33.619 2.471 14.228 1.00 0.00 H new ATOM 0 HB3 ARG B 19 32.099 3.196 14.714 1.00 0.00 H new ATOM 0 HG2 ARG B 19 30.927 1.679 13.011 1.00 0.00 H new ATOM 0 HG3 ARG B 19 32.462 0.874 12.755 1.00 0.00 H new ATOM 0 HD2 ARG B 19 32.159 -0.381 14.659 1.00 0.00 H new ATOM 0 HD3 ARG B 19 31.989 1.069 15.630 1.00 0.00 H new ATOM 0 HE ARG B 19 29.553 0.882 14.127 1.00 0.00 H new ATOM 0 HH11 ARG B 19 30.087 -2.098 14.539 1.00 0.00 H new ATOM 0 HH12 ARG B 19 29.253 -2.395 16.068 1.00 0.00 H new ATOM 0 HH21 ARG B 19 29.067 0.993 16.911 1.00 0.00 H new ATOM 0 HH22 ARG B 19 28.681 -0.660 17.399 1.00 0.00 H new ATOM 951 N GLY B 20 30.810 5.078 13.297 1.00 0.00 N ATOM 952 CA GLY B 20 29.472 5.699 13.082 1.00 0.00 C ATOM 953 C GLY B 20 29.450 6.424 11.734 1.00 0.00 C ATOM 954 O GLY B 20 28.474 6.378 11.011 1.00 0.00 O ATOM 0 H GLY B 20 31.276 5.340 14.165 1.00 0.00 H new ATOM 0 HA2 GLY B 20 28.697 4.933 13.107 1.00 0.00 H new ATOM 0 HA3 GLY B 20 29.253 6.401 13.887 1.00 0.00 H new ATOM 958 N GLU B 21 30.515 7.095 11.390 1.00 0.00 N ATOM 959 CA GLU B 21 30.549 7.824 10.089 1.00 0.00 C ATOM 960 C GLU B 21 30.556 6.831 8.922 1.00 0.00 C ATOM 961 O GLU B 21 30.048 7.111 7.854 1.00 0.00 O ATOM 962 CB GLU B 21 31.849 8.626 10.121 1.00 0.00 C ATOM 963 CG GLU B 21 31.556 10.056 10.579 1.00 0.00 C ATOM 964 CD GLU B 21 32.840 10.696 11.110 1.00 0.00 C ATOM 965 OE1 GLU B 21 33.664 11.085 10.298 1.00 0.00 O ATOM 966 OE2 GLU B 21 32.979 10.784 12.319 1.00 0.00 O ATOM 0 H GLU B 21 31.363 7.170 11.952 1.00 0.00 H new ATOM 0 HA GLU B 21 29.678 8.464 9.951 1.00 0.00 H new ATOM 0 HB2 GLU B 21 32.562 8.155 10.797 1.00 0.00 H new ATOM 0 HB3 GLU B 21 32.307 8.636 9.132 1.00 0.00 H new ATOM 0 HG2 GLU B 21 31.162 10.642 9.748 1.00 0.00 H new ATOM 0 HG3 GLU B 21 30.792 10.051 11.356 1.00 0.00 H new ATOM 973 N ILE B 22 31.126 5.674 9.117 1.00 0.00 N ATOM 974 CA ILE B 22 31.163 4.665 8.018 1.00 0.00 C ATOM 975 C ILE B 22 29.759 4.137 7.741 1.00 0.00 C ATOM 976 O ILE B 22 29.245 4.252 6.647 1.00 0.00 O ATOM 977 CB ILE B 22 32.062 3.543 8.537 1.00 0.00 C ATOM 978 CG1 ILE B 22 33.436 4.107 8.902 1.00 0.00 C ATOM 979 CG2 ILE B 22 32.220 2.473 7.455 1.00 0.00 C ATOM 980 CD1 ILE B 22 34.025 4.853 7.703 1.00 0.00 C ATOM 0 H ILE B 22 31.568 5.383 9.989 1.00 0.00 H new ATOM 0 HA ILE B 22 31.536 5.087 7.085 1.00 0.00 H new ATOM 0 HB ILE B 22 31.608 3.100 9.424 1.00 0.00 H new ATOM 0 HG12 ILE B 22 33.348 4.781 9.754 1.00 0.00 H new ATOM 0 HG13 ILE B 22 34.103 3.299 9.203 1.00 0.00 H new ATOM 0 HG21 ILE B 22 32.861 1.673 7.825 1.00 0.00 H new ATOM 0 HG22 ILE B 22 31.242 2.066 7.201 1.00 0.00 H new ATOM 0 HG23 ILE B 22 32.670 2.917 6.567 1.00 0.00 H new ATOM 0 HD11 ILE B 22 35.004 5.253 7.968 1.00 0.00 H new ATOM 0 HD12 ILE B 22 34.129 4.167 6.863 1.00 0.00 H new ATOM 0 HD13 ILE B 22 33.362 5.672 7.423 1.00 0.00 H new ATOM 992 N GLU B 23 29.134 3.557 8.725 1.00 0.00 N ATOM 993 CA GLU B 23 27.765 3.026 8.518 1.00 0.00 C ATOM 994 C GLU B 23 26.851 4.148 8.022 1.00 0.00 C ATOM 995 O GLU B 23 25.905 3.916 7.291 1.00 0.00 O ATOM 996 CB GLU B 23 27.351 2.500 9.893 1.00 0.00 C ATOM 997 CG GLU B 23 26.042 1.723 9.776 1.00 0.00 C ATOM 998 CD GLU B 23 24.911 2.522 10.425 1.00 0.00 C ATOM 999 OE1 GLU B 23 24.309 3.328 9.735 1.00 0.00 O ATOM 1000 OE2 GLU B 23 24.665 2.314 11.602 1.00 0.00 O ATOM 0 H GLU B 23 29.514 3.429 9.663 1.00 0.00 H new ATOM 0 HA GLU B 23 27.707 2.239 7.766 1.00 0.00 H new ATOM 0 HB2 GLU B 23 28.132 1.856 10.297 1.00 0.00 H new ATOM 0 HB3 GLU B 23 27.231 3.330 10.589 1.00 0.00 H new ATOM 0 HG2 GLU B 23 25.812 1.534 8.727 1.00 0.00 H new ATOM 0 HG3 GLU B 23 26.139 0.752 10.261 1.00 0.00 H new ATOM 1007 N GLU B 24 27.147 5.369 8.372 1.00 0.00 N ATOM 1008 CA GLU B 24 26.313 6.492 7.869 1.00 0.00 C ATOM 1009 C GLU B 24 26.466 6.545 6.351 1.00 0.00 C ATOM 1010 O GLU B 24 25.510 6.695 5.609 1.00 0.00 O ATOM 1011 CB GLU B 24 26.890 7.748 8.520 1.00 0.00 C ATOM 1012 CG GLU B 24 26.189 8.982 7.951 1.00 0.00 C ATOM 1013 CD GLU B 24 25.958 9.999 9.070 1.00 0.00 C ATOM 1014 OE1 GLU B 24 25.104 9.748 9.905 1.00 0.00 O ATOM 1015 OE2 GLU B 24 26.640 11.010 9.075 1.00 0.00 O ATOM 0 H GLU B 24 27.923 5.635 8.979 1.00 0.00 H new ATOM 0 HA GLU B 24 25.254 6.389 8.103 1.00 0.00 H new ATOM 0 HB2 GLU B 24 26.755 7.706 9.601 1.00 0.00 H new ATOM 0 HB3 GLU B 24 27.962 7.807 8.335 1.00 0.00 H new ATOM 0 HG2 GLU B 24 26.795 9.426 7.161 1.00 0.00 H new ATOM 0 HG3 GLU B 24 25.238 8.698 7.501 1.00 0.00 H new ATOM 1022 N LEU B 25 27.675 6.393 5.887 1.00 0.00 N ATOM 1023 CA LEU B 25 27.915 6.403 4.421 1.00 0.00 C ATOM 1024 C LEU B 25 27.144 5.257 3.778 1.00 0.00 C ATOM 1025 O LEU B 25 26.596 5.401 2.712 1.00 0.00 O ATOM 1026 CB LEU B 25 29.418 6.192 4.239 1.00 0.00 C ATOM 1027 CG LEU B 25 29.957 7.198 3.214 1.00 0.00 C ATOM 1028 CD1 LEU B 25 31.425 6.889 2.925 1.00 0.00 C ATOM 1029 CD2 LEU B 25 29.157 7.098 1.911 1.00 0.00 C ATOM 0 H LEU B 25 28.507 6.262 6.462 1.00 0.00 H new ATOM 0 HA LEU B 25 27.587 7.334 3.958 1.00 0.00 H new ATOM 0 HB2 LEU B 25 29.931 6.318 5.192 1.00 0.00 H new ATOM 0 HB3 LEU B 25 29.615 5.174 3.903 1.00 0.00 H new ATOM 0 HG LEU B 25 29.862 8.205 3.619 1.00 0.00 H new ATOM 0 HD11 LEU B 25 31.810 7.603 2.197 1.00 0.00 H new ATOM 0 HD12 LEU B 25 32.001 6.965 3.847 1.00 0.00 H new ATOM 0 HD13 LEU B 25 31.512 5.879 2.525 1.00 0.00 H new ATOM 0 HD21 LEU B 25 29.546 7.816 1.189 1.00 0.00 H new ATOM 0 HD22 LEU B 25 29.247 6.090 1.505 1.00 0.00 H new ATOM 0 HD23 LEU B 25 28.108 7.317 2.110 1.00 0.00 H new ATOM 1041 N HIS B 26 27.093 4.118 4.424 1.00 0.00 N ATOM 1042 CA HIS B 26 26.341 2.968 3.843 1.00 0.00 C ATOM 1043 C HIS B 26 24.905 3.406 3.541 1.00 0.00 C ATOM 1044 O HIS B 26 24.376 3.135 2.483 1.00 0.00 O ATOM 1045 CB HIS B 26 26.388 1.872 4.911 1.00 0.00 C ATOM 1046 CG HIS B 26 25.419 0.777 4.560 1.00 0.00 C ATOM 1047 ND1 HIS B 26 25.602 -0.072 3.478 1.00 0.00 N ATOM 1048 CD2 HIS B 26 24.244 0.394 5.141 1.00 0.00 C ATOM 1049 CE1 HIS B 26 24.553 -0.917 3.446 1.00 0.00 C ATOM 1050 NE2 HIS B 26 23.695 -0.673 4.439 1.00 0.00 N ATOM 0 H HIS B 26 27.538 3.937 5.324 1.00 0.00 H new ATOM 0 HA HIS B 26 26.766 2.609 2.906 1.00 0.00 H new ATOM 0 HB2 HIS B 26 27.397 1.467 4.985 1.00 0.00 H new ATOM 0 HB3 HIS B 26 26.140 2.291 5.886 1.00 0.00 H new ATOM 0 HD1 HIS B 26 26.387 -0.059 2.826 1.00 0.00 H new ATOM 0 HD2 HIS B 26 23.806 0.852 6.016 1.00 0.00 H new ATOM 0 HE1 HIS B 26 24.423 -1.695 2.708 1.00 0.00 H new ATOM 1058 N LYS B 27 24.276 4.106 4.446 1.00 0.00 N ATOM 1059 CA LYS B 27 22.888 4.576 4.166 1.00 0.00 C ATOM 1060 C LYS B 27 22.909 5.396 2.874 1.00 0.00 C ATOM 1061 O LYS B 27 22.055 5.261 2.013 1.00 0.00 O ATOM 1062 CB LYS B 27 22.508 5.454 5.359 1.00 0.00 C ATOM 1063 CG LYS B 27 22.297 4.576 6.594 1.00 0.00 C ATOM 1064 CD LYS B 27 21.027 5.020 7.322 1.00 0.00 C ATOM 1065 CE LYS B 27 21.262 4.970 8.833 1.00 0.00 C ATOM 1066 NZ LYS B 27 21.471 3.527 9.139 1.00 0.00 N ATOM 0 H LYS B 27 24.656 4.370 5.355 1.00 0.00 H new ATOM 0 HA LYS B 27 22.175 3.761 4.039 1.00 0.00 H new ATOM 0 HB2 LYS B 27 23.293 6.186 5.550 1.00 0.00 H new ATOM 0 HB3 LYS B 27 21.599 6.013 5.138 1.00 0.00 H new ATOM 0 HG2 LYS B 27 22.214 3.530 6.300 1.00 0.00 H new ATOM 0 HG3 LYS B 27 23.157 4.653 7.260 1.00 0.00 H new ATOM 0 HD2 LYS B 27 20.756 6.031 7.019 1.00 0.00 H new ATOM 0 HD3 LYS B 27 20.194 4.371 7.051 1.00 0.00 H new ATOM 0 HE2 LYS B 27 22.130 5.564 9.118 1.00 0.00 H new ATOM 0 HE3 LYS B 27 20.408 5.370 9.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 20.871 3.252 9.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 21.219 2.956 8.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 22.469 3.364 9.381 1.00 0.00 H new ATOM 1080 N LYS B 28 23.903 6.230 2.726 1.00 0.00 N ATOM 1081 CA LYS B 28 24.012 7.046 1.486 1.00 0.00 C ATOM 1082 C LYS B 28 24.119 6.121 0.268 1.00 0.00 C ATOM 1083 O LYS B 28 23.558 6.388 -0.774 1.00 0.00 O ATOM 1084 CB LYS B 28 25.300 7.856 1.652 1.00 0.00 C ATOM 1085 CG LYS B 28 24.970 9.350 1.656 1.00 0.00 C ATOM 1086 CD LYS B 28 25.183 9.915 3.061 1.00 0.00 C ATOM 1087 CE LYS B 28 23.905 10.612 3.527 1.00 0.00 C ATOM 1088 NZ LYS B 28 24.349 11.960 3.981 1.00 0.00 N ATOM 0 H LYS B 28 24.644 6.380 3.411 1.00 0.00 H new ATOM 0 HA LYS B 28 23.145 7.689 1.334 1.00 0.00 H new ATOM 0 HB2 LYS B 28 25.797 7.581 2.582 1.00 0.00 H new ATOM 0 HB3 LYS B 28 25.992 7.628 0.841 1.00 0.00 H new ATOM 0 HG2 LYS B 28 25.604 9.875 0.941 1.00 0.00 H new ATOM 0 HG3 LYS B 28 23.938 9.506 1.342 1.00 0.00 H new ATOM 0 HD2 LYS B 28 25.446 9.113 3.751 1.00 0.00 H new ATOM 0 HD3 LYS B 28 26.015 10.619 3.059 1.00 0.00 H new ATOM 0 HE2 LYS B 28 23.178 10.687 2.718 1.00 0.00 H new ATOM 0 HE3 LYS B 28 23.426 10.060 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 23.527 12.501 4.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 25.035 11.857 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 24.795 12.464 3.188 1.00 0.00 H new ATOM 1102 N PHE B 29 24.832 5.030 0.401 1.00 0.00 N ATOM 1103 CA PHE B 29 24.979 4.081 -0.736 1.00 0.00 C ATOM 1104 C PHE B 29 23.612 3.533 -1.125 1.00 0.00 C ATOM 1105 O PHE B 29 23.352 3.264 -2.273 1.00 0.00 O ATOM 1106 CB PHE B 29 25.893 2.961 -0.219 1.00 0.00 C ATOM 1107 CG PHE B 29 27.341 3.429 -0.115 1.00 0.00 C ATOM 1108 CD1 PHE B 29 27.722 4.747 -0.488 1.00 0.00 C ATOM 1109 CD2 PHE B 29 28.321 2.529 0.362 1.00 0.00 C ATOM 1110 CE1 PHE B 29 29.071 5.150 -0.384 1.00 0.00 C ATOM 1111 CE2 PHE B 29 29.670 2.937 0.465 1.00 0.00 C ATOM 1112 CZ PHE B 29 30.044 4.246 0.092 1.00 0.00 C ATOM 0 H PHE B 29 25.320 4.758 1.255 1.00 0.00 H new ATOM 0 HA PHE B 29 25.400 4.555 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE B 29 25.545 2.628 0.759 1.00 0.00 H new ATOM 0 HB3 PHE B 29 25.833 2.103 -0.888 1.00 0.00 H new ATOM 0 HD1 PHE B 29 26.978 5.441 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE B 29 28.038 1.527 0.648 1.00 0.00 H new ATOM 0 HE1 PHE B 29 29.358 6.151 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE B 29 30.416 2.246 0.830 1.00 0.00 H new ATOM 0 HZ PHE B 29 31.076 4.556 0.171 1.00 0.00 H new ATOM 1122 N HIS B 30 22.725 3.382 -0.182 1.00 0.00 N ATOM 1123 CA HIS B 30 21.372 2.874 -0.533 1.00 0.00 C ATOM 1124 C HIS B 30 20.676 3.919 -1.400 1.00 0.00 C ATOM 1125 O HIS B 30 20.031 3.602 -2.379 1.00 0.00 O ATOM 1126 CB HIS B 30 20.652 2.682 0.802 1.00 0.00 C ATOM 1127 CG HIS B 30 19.220 2.299 0.551 1.00 0.00 C ATOM 1128 ND1 HIS B 30 18.825 0.979 0.393 1.00 0.00 N ATOM 1129 CD2 HIS B 30 18.077 3.049 0.427 1.00 0.00 C ATOM 1130 CE1 HIS B 30 17.495 0.976 0.185 1.00 0.00 C ATOM 1131 NE2 HIS B 30 16.989 2.212 0.196 1.00 0.00 N ATOM 0 H HIS B 30 22.876 3.586 0.806 1.00 0.00 H new ATOM 0 HA HIS B 30 21.390 1.940 -1.094 1.00 0.00 H new ATOM 0 HB2 HIS B 30 21.149 1.908 1.387 1.00 0.00 H new ATOM 0 HB3 HIS B 30 20.696 3.601 1.386 1.00 0.00 H new ATOM 0 HD2 HIS B 30 18.029 4.126 0.498 1.00 0.00 H new ATOM 0 HE1 HIS B 30 16.908 0.083 0.028 1.00 0.00 H new ATOM 0 HE2 HIS B 30 16.015 2.484 0.064 1.00 0.00 H new ATOM 1139 N GLU B 31 20.838 5.170 -1.069 1.00 0.00 N ATOM 1140 CA GLU B 31 20.223 6.242 -1.903 1.00 0.00 C ATOM 1141 C GLU B 31 21.155 6.566 -3.086 1.00 0.00 C ATOM 1142 O GLU B 31 20.856 7.399 -3.918 1.00 0.00 O ATOM 1143 CB GLU B 31 20.095 7.448 -0.973 1.00 0.00 C ATOM 1144 CG GLU B 31 18.722 8.096 -1.161 1.00 0.00 C ATOM 1145 CD GLU B 31 18.703 9.459 -0.467 1.00 0.00 C ATOM 1146 OE1 GLU B 31 19.404 10.346 -0.927 1.00 0.00 O ATOM 1147 OE2 GLU B 31 17.988 9.593 0.512 1.00 0.00 O ATOM 0 H GLU B 31 21.367 5.496 -0.260 1.00 0.00 H new ATOM 0 HA GLU B 31 19.257 5.952 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU B 31 20.222 7.136 0.064 1.00 0.00 H new ATOM 0 HB3 GLU B 31 20.882 8.171 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU B 31 18.506 8.213 -2.223 1.00 0.00 H new ATOM 0 HG3 GLU B 31 17.945 7.454 -0.746 1.00 0.00 H new ATOM 1154 N LEU B 32 22.288 5.908 -3.154 1.00 0.00 N ATOM 1155 CA LEU B 32 23.261 6.154 -4.259 1.00 0.00 C ATOM 1156 C LEU B 32 22.980 5.218 -5.435 1.00 0.00 C ATOM 1157 O LEU B 32 23.061 5.601 -6.586 1.00 0.00 O ATOM 1158 CB LEU B 32 24.619 5.796 -3.637 1.00 0.00 C ATOM 1159 CG LEU B 32 25.775 6.472 -4.385 1.00 0.00 C ATOM 1160 CD1 LEU B 32 27.029 6.403 -3.513 1.00 0.00 C ATOM 1161 CD2 LEU B 32 26.058 5.742 -5.700 1.00 0.00 C ATOM 0 H LEU B 32 22.581 5.201 -2.479 1.00 0.00 H new ATOM 0 HA LEU B 32 23.212 7.174 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU B 32 24.633 6.101 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU B 32 24.755 4.715 -3.655 1.00 0.00 H new ATOM 0 HG LEU B 32 25.505 7.506 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU B 32 27.860 6.880 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU B 32 26.846 6.919 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU B 32 27.277 5.360 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU B 32 26.881 6.234 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU B 32 26.328 4.707 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU B 32 25.167 5.765 -6.328 1.00 0.00 H new ATOM 1173 N ILE B 33 22.690 3.980 -5.150 1.00 0.00 N ATOM 1174 CA ILE B 33 22.457 2.996 -6.243 1.00 0.00 C ATOM 1175 C ILE B 33 21.040 2.413 -6.178 1.00 0.00 C ATOM 1176 O ILE B 33 20.615 1.698 -7.063 1.00 0.00 O ATOM 1177 CB ILE B 33 23.512 1.924 -5.986 1.00 0.00 C ATOM 1178 CG1 ILE B 33 23.201 1.250 -4.613 1.00 0.00 C ATOM 1179 CG2 ILE B 33 24.897 2.613 -6.054 1.00 0.00 C ATOM 1180 CD1 ILE B 33 24.391 1.258 -3.644 1.00 0.00 C ATOM 0 H ILE B 33 22.604 3.606 -4.205 1.00 0.00 H new ATOM 0 HA ILE B 33 22.537 3.439 -7.236 1.00 0.00 H new ATOM 0 HB ILE B 33 23.508 1.127 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE B 33 22.360 1.764 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE B 33 22.890 0.220 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE B 33 25.679 1.876 -5.875 1.00 0.00 H new ATOM 0 HG22 ILE B 33 25.035 3.056 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE B 33 24.953 3.393 -5.295 1.00 0.00 H new ATOM 0 HD11 ILE B 33 24.104 0.774 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE B 33 25.227 0.719 -4.090 1.00 0.00 H new ATOM 0 HD13 ILE B 33 24.689 2.287 -3.442 1.00 0.00 H new