USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=6 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+ -144:sc= -0.0559 (180deg=-0.836) 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= -8.59! C(o=-8.6!,f=-9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0677) USER MOD Single : A 30 HIS : no HD1:sc= -0.706 X(o=-0.71,f=-0.27) USER MOD Single : B 8 LYS NZ :NH3+ -143:sc= -0.054 (180deg=-0.805) 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 HD1:sc= -8.78! C(o=-8.8!,f=-9.2!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0656) USER MOD Single : B 30 HIS :FLIP no HD1:sc= -0.194 F(o=-0.83,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 38.886 5.021 -2.060 1.00 0.00 N ATOM 42 CA GLU A 4 39.426 3.868 -2.836 1.00 0.00 C ATOM 43 C GLU A 4 39.694 2.676 -1.912 1.00 0.00 C ATOM 44 O GLU A 4 39.834 1.554 -2.358 1.00 0.00 O ATOM 45 CB GLU A 4 40.734 4.378 -3.438 1.00 0.00 C ATOM 46 CG GLU A 4 40.703 4.193 -4.956 1.00 0.00 C ATOM 47 CD GLU A 4 42.114 3.885 -5.460 1.00 0.00 C ATOM 48 OE1 GLU A 4 42.656 2.868 -5.059 1.00 0.00 O ATOM 49 OE2 GLU A 4 42.629 4.671 -6.238 1.00 0.00 O ATOM 0 HA GLU A 4 38.727 3.524 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 4 40.874 5.431 -3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 4 41.578 3.836 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 4 40.025 3.381 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 4 40.323 5.095 -5.436 1.00 0.00 H new ATOM 56 N GLU A 5 39.770 2.906 -0.629 1.00 0.00 N ATOM 57 CA GLU A 5 40.033 1.782 0.313 1.00 0.00 C ATOM 58 C GLU A 5 38.767 0.944 0.501 1.00 0.00 C ATOM 59 O GLU A 5 38.779 -0.261 0.340 1.00 0.00 O ATOM 60 CB GLU A 5 40.434 2.452 1.628 1.00 0.00 C ATOM 61 CG GLU A 5 41.777 3.161 1.448 1.00 0.00 C ATOM 62 CD GLU A 5 42.742 2.712 2.547 1.00 0.00 C ATOM 63 OE1 GLU A 5 42.686 3.279 3.625 1.00 0.00 O ATOM 64 OE2 GLU A 5 43.520 1.807 2.292 1.00 0.00 O ATOM 0 H GLU A 5 39.661 3.822 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 5 40.808 1.109 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 5 39.670 3.168 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 5 40.507 1.708 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 5 42.193 2.931 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 5 41.639 4.241 1.490 1.00 0.00 H new ATOM 71 N LEU A 6 37.673 1.572 0.836 1.00 0.00 N ATOM 72 CA LEU A 6 36.411 0.804 1.027 1.00 0.00 C ATOM 73 C LEU A 6 35.958 0.223 -0.322 1.00 0.00 C ATOM 74 O LEU A 6 35.303 -0.799 -0.382 1.00 0.00 O ATOM 75 CB LEU A 6 35.413 1.826 1.631 1.00 0.00 C ATOM 76 CG LEU A 6 34.394 2.333 0.596 1.00 0.00 C ATOM 77 CD1 LEU A 6 33.318 1.268 0.376 1.00 0.00 C ATOM 78 CD2 LEU A 6 33.734 3.613 1.113 1.00 0.00 C ATOM 0 H LEU A 6 37.599 2.578 0.985 1.00 0.00 H new ATOM 0 HA LEU A 6 36.509 -0.055 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 6 34.882 1.363 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 6 35.966 2.673 2.037 1.00 0.00 H new ATOM 0 HG LEU A 6 34.906 2.538 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 6 32.596 1.627 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 6 33.782 0.352 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 6 32.809 1.065 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 6 33.012 3.972 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 6 33.223 3.405 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 6 34.496 4.375 1.275 1.00 0.00 H new ATOM 90 N GLU A 7 36.320 0.863 -1.402 1.00 0.00 N ATOM 91 CA GLU A 7 35.928 0.349 -2.747 1.00 0.00 C ATOM 92 C GLU A 7 36.690 -0.939 -3.055 1.00 0.00 C ATOM 93 O GLU A 7 36.116 -1.937 -3.449 1.00 0.00 O ATOM 94 CB GLU A 7 36.338 1.447 -3.725 1.00 0.00 C ATOM 95 CG GLU A 7 35.572 1.271 -5.038 1.00 0.00 C ATOM 96 CD GLU A 7 36.278 2.050 -6.149 1.00 0.00 C ATOM 97 OE1 GLU A 7 37.453 1.803 -6.364 1.00 0.00 O ATOM 98 OE2 GLU A 7 35.631 2.880 -6.766 1.00 0.00 O ATOM 0 H GLU A 7 36.871 1.721 -1.411 1.00 0.00 H new ATOM 0 HA GLU A 7 34.864 0.121 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 7 36.128 2.427 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 7 37.411 1.403 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 7 35.516 0.214 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 7 34.548 1.626 -4.924 1.00 0.00 H new ATOM 105 N LYS A 8 37.981 -0.923 -2.877 1.00 0.00 N ATOM 106 CA LYS A 8 38.777 -2.149 -3.156 1.00 0.00 C ATOM 107 C LYS A 8 38.272 -3.290 -2.283 1.00 0.00 C ATOM 108 O LYS A 8 37.976 -4.359 -2.765 1.00 0.00 O ATOM 109 CB LYS A 8 40.219 -1.786 -2.803 1.00 0.00 C ATOM 110 CG LYS A 8 41.118 -2.035 -4.016 1.00 0.00 C ATOM 111 CD LYS A 8 40.752 -1.055 -5.132 1.00 0.00 C ATOM 112 CE LYS A 8 40.368 -1.835 -6.390 1.00 0.00 C ATOM 113 NZ LYS A 8 41.604 -2.575 -6.772 1.00 0.00 N ATOM 0 H LYS A 8 38.517 -0.118 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 8 38.696 -2.475 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 8 40.279 -0.740 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 8 40.559 -2.382 -1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 8 42.165 -1.911 -3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 8 41.000 -3.061 -4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 8 39.923 -0.422 -4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 8 41.594 -0.396 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 8 39.542 -2.519 -6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 8 40.046 -1.165 -7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 41.677 -2.617 -7.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 42.436 -2.085 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 41.563 -3.541 -6.389 1.00 0.00 H new ATOM 127 N LYS A 9 38.148 -3.066 -1.009 1.00 0.00 N ATOM 128 CA LYS A 9 37.631 -4.141 -0.121 1.00 0.00 C ATOM 129 C LYS A 9 36.230 -4.543 -0.591 1.00 0.00 C ATOM 130 O LYS A 9 35.765 -5.637 -0.342 1.00 0.00 O ATOM 131 CB LYS A 9 37.574 -3.508 1.269 1.00 0.00 C ATOM 132 CG LYS A 9 38.993 -3.212 1.756 1.00 0.00 C ATOM 133 CD LYS A 9 39.301 -4.072 2.983 1.00 0.00 C ATOM 134 CE LYS A 9 40.700 -4.675 2.843 1.00 0.00 C ATOM 135 NZ LYS A 9 40.479 -6.018 2.237 1.00 0.00 N ATOM 0 H LYS A 9 38.381 -2.189 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 9 38.251 -5.038 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 9 36.990 -2.588 1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 9 37.072 -4.180 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 9 39.712 -3.420 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 9 39.090 -2.155 2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 9 39.242 -3.468 3.888 1.00 0.00 H new ATOM 0 HD3 LYS A 9 38.559 -4.865 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 9 41.336 -4.056 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 9 41.195 -4.755 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 41.394 -6.496 2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 39.876 -6.587 2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 40.013 -5.910 1.314 1.00 0.00 H new ATOM 149 N PHE A 10 35.559 -3.652 -1.272 1.00 0.00 N ATOM 150 CA PHE A 10 34.187 -3.947 -1.772 1.00 0.00 C ATOM 151 C PHE A 10 34.205 -5.099 -2.784 1.00 0.00 C ATOM 152 O PHE A 10 33.669 -6.165 -2.538 1.00 0.00 O ATOM 153 CB PHE A 10 33.743 -2.647 -2.454 1.00 0.00 C ATOM 154 CG PHE A 10 32.247 -2.493 -2.360 1.00 0.00 C ATOM 155 CD1 PHE A 10 31.650 -2.135 -1.131 1.00 0.00 C ATOM 156 CD2 PHE A 10 31.445 -2.691 -3.506 1.00 0.00 C ATOM 157 CE1 PHE A 10 30.250 -1.977 -1.047 1.00 0.00 C ATOM 158 CE2 PHE A 10 30.044 -2.530 -3.423 1.00 0.00 C ATOM 159 CZ PHE A 10 29.448 -2.173 -2.192 1.00 0.00 C ATOM 0 H PHE A 10 35.908 -2.722 -1.505 1.00 0.00 H new ATOM 0 HA PHE A 10 33.516 -4.254 -0.970 1.00 0.00 H new ATOM 0 HB2 PHE A 10 34.234 -1.795 -1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 10 34.050 -2.654 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 10 32.264 -1.982 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.903 -2.965 -4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 10 29.792 -1.706 -0.107 1.00 0.00 H new ATOM 0 HE2 PHE A 10 29.429 -2.679 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 10 28.377 -2.050 -2.127 1.00 0.00 H new ATOM 169 N LYS A 11 34.805 -4.895 -3.926 1.00 0.00 N ATOM 170 CA LYS A 11 34.829 -5.981 -4.951 1.00 0.00 C ATOM 171 C LYS A 11 35.649 -7.173 -4.458 1.00 0.00 C ATOM 172 O LYS A 11 35.411 -8.305 -4.835 1.00 0.00 O ATOM 173 CB LYS A 11 35.481 -5.349 -6.177 1.00 0.00 C ATOM 174 CG LYS A 11 35.492 -6.357 -7.327 1.00 0.00 C ATOM 175 CD LYS A 11 34.053 -6.683 -7.731 1.00 0.00 C ATOM 176 CE LYS A 11 34.046 -7.332 -9.116 1.00 0.00 C ATOM 177 NZ LYS A 11 32.729 -8.025 -9.206 1.00 0.00 N ATOM 0 H LYS A 11 35.276 -4.031 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 11 33.831 -6.362 -5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.935 -4.452 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 11 36.499 -5.039 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 11 36.037 -5.948 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 11 36.011 -7.266 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.602 -7.355 -7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.452 -5.774 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 11 34.155 -6.586 -9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 11 34.871 -8.035 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.647 -8.496 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.657 -8.734 -8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.963 -7.329 -9.103 1.00 0.00 H new ATOM 191 N GLU A 12 36.608 -6.927 -3.619 1.00 0.00 N ATOM 192 CA GLU A 12 37.447 -8.038 -3.095 1.00 0.00 C ATOM 193 C GLU A 12 36.662 -8.838 -2.059 1.00 0.00 C ATOM 194 O GLU A 12 36.956 -9.987 -1.794 1.00 0.00 O ATOM 195 CB GLU A 12 38.650 -7.356 -2.446 1.00 0.00 C ATOM 196 CG GLU A 12 39.765 -7.192 -3.481 1.00 0.00 C ATOM 197 CD GLU A 12 40.861 -8.227 -3.218 1.00 0.00 C ATOM 198 OE1 GLU A 12 41.557 -8.085 -2.227 1.00 0.00 O ATOM 199 OE2 GLU A 12 40.984 -9.145 -4.013 1.00 0.00 O ATOM 0 H GLU A 12 36.850 -6.000 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 12 37.750 -8.734 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 12 38.360 -6.382 -2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 12 39.006 -7.948 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 12 39.364 -7.319 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 12 40.180 -6.186 -3.428 1.00 0.00 H new ATOM 206 N LEU A 13 35.661 -8.244 -1.471 1.00 0.00 N ATOM 207 CA LEU A 13 34.863 -8.982 -0.459 1.00 0.00 C ATOM 208 C LEU A 13 33.858 -9.897 -1.161 1.00 0.00 C ATOM 209 O LEU A 13 33.619 -11.010 -0.737 1.00 0.00 O ATOM 210 CB LEU A 13 34.157 -7.903 0.358 1.00 0.00 C ATOM 211 CG LEU A 13 34.988 -7.603 1.609 1.00 0.00 C ATOM 212 CD1 LEU A 13 34.572 -6.252 2.190 1.00 0.00 C ATOM 213 CD2 LEU A 13 34.758 -8.699 2.652 1.00 0.00 C ATOM 0 H LEU A 13 35.364 -7.284 -1.648 1.00 0.00 H new ATOM 0 HA LEU A 13 35.476 -9.620 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 13 34.034 -6.999 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 13 33.159 -8.237 0.640 1.00 0.00 H new ATOM 0 HG LEU A 13 36.044 -7.572 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 13 35.165 -6.041 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 13 34.739 -5.470 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 13 33.515 -6.280 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 13 35.350 -8.484 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 13 33.702 -8.732 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 13 35.059 -9.662 2.240 1.00 0.00 H new ATOM 225 N TRP A 14 33.279 -9.447 -2.243 1.00 0.00 N ATOM 226 CA TRP A 14 32.307 -10.314 -2.972 1.00 0.00 C ATOM 227 C TRP A 14 33.033 -11.520 -3.554 1.00 0.00 C ATOM 228 O TRP A 14 32.601 -12.648 -3.424 1.00 0.00 O ATOM 229 CB TRP A 14 31.755 -9.451 -4.103 1.00 0.00 C ATOM 230 CG TRP A 14 30.360 -9.052 -3.776 1.00 0.00 C ATOM 231 CD1 TRP A 14 29.260 -9.839 -3.891 1.00 0.00 C ATOM 232 CD2 TRP A 14 29.898 -7.779 -3.275 1.00 0.00 C ATOM 233 NE1 TRP A 14 28.155 -9.124 -3.488 1.00 0.00 N ATOM 234 CE2 TRP A 14 28.493 -7.851 -3.098 1.00 0.00 C ATOM 235 CE3 TRP A 14 30.555 -6.569 -2.956 1.00 0.00 C ATOM 236 CZ2 TRP A 14 27.765 -6.763 -2.622 1.00 0.00 C ATOM 237 CZ3 TRP A 14 29.826 -5.466 -2.472 1.00 0.00 C ATOM 238 CH2 TRP A 14 28.431 -5.562 -2.302 1.00 0.00 C ATOM 0 H TRP A 14 33.435 -8.525 -2.651 1.00 0.00 H new ATOM 0 HA TRP A 14 31.516 -10.680 -2.317 1.00 0.00 H new ATOM 0 HB2 TRP A 14 32.377 -8.566 -4.238 1.00 0.00 H new ATOM 0 HB3 TRP A 14 31.777 -10.003 -5.042 1.00 0.00 H new ATOM 0 HD1 TRP A 14 29.253 -10.860 -4.242 1.00 0.00 H new ATOM 0 HE1 TRP A 14 27.204 -9.493 -3.480 1.00 0.00 H new ATOM 0 HE3 TRP A 14 31.624 -6.490 -3.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 26.695 -6.839 -2.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 30.337 -4.546 -2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 14 27.872 -4.717 -1.927 1.00 0.00 H new ATOM 249 N LYS A 15 34.135 -11.282 -4.204 1.00 0.00 N ATOM 250 CA LYS A 15 34.901 -12.400 -4.809 1.00 0.00 C ATOM 251 C LYS A 15 36.113 -12.732 -3.935 1.00 0.00 C ATOM 252 O LYS A 15 37.243 -12.450 -4.281 1.00 0.00 O ATOM 253 CB LYS A 15 35.325 -11.862 -6.172 1.00 0.00 C ATOM 254 CG LYS A 15 36.165 -12.911 -6.902 1.00 0.00 C ATOM 255 CD LYS A 15 35.238 -13.928 -7.570 1.00 0.00 C ATOM 256 CE LYS A 15 35.219 -13.685 -9.081 1.00 0.00 C ATOM 257 NZ LYS A 15 33.780 -13.495 -9.419 1.00 0.00 N ATOM 0 H LYS A 15 34.539 -10.356 -4.342 1.00 0.00 H new ATOM 0 HA LYS A 15 34.327 -13.322 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 15 34.445 -11.610 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 15 35.899 -10.944 -6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 15 36.796 -12.431 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 15 36.829 -13.414 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 15 35.579 -14.941 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 15 34.230 -13.839 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 15 35.807 -12.807 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 15 35.644 -14.530 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 33.683 -13.323 -10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 33.247 -14.349 -9.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 33.405 -12.680 -8.893 1.00 0.00 H new ATOM 271 N GLY A 16 35.875 -13.325 -2.798 1.00 0.00 N ATOM 272 CA GLY A 16 36.994 -13.679 -1.879 1.00 0.00 C ATOM 273 C GLY A 16 36.406 -14.218 -0.569 1.00 0.00 C ATOM 274 O GLY A 16 36.127 -15.395 -0.455 1.00 0.00 O ATOM 0 H GLY A 16 34.946 -13.582 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 16 37.638 -14.428 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 16 37.613 -12.803 -1.683 1.00 0.00 H new ATOM 278 N PRO A 17 36.228 -13.331 0.377 1.00 0.00 N ATOM 279 CA PRO A 17 35.656 -13.722 1.687 1.00 0.00 C ATOM 280 C PRO A 17 34.139 -13.899 1.555 1.00 0.00 C ATOM 281 O PRO A 17 33.625 -14.081 0.469 1.00 0.00 O ATOM 282 CB PRO A 17 35.996 -12.540 2.592 1.00 0.00 C ATOM 283 CG PRO A 17 36.143 -11.368 1.672 1.00 0.00 C ATOM 284 CD PRO A 17 36.541 -11.898 0.316 1.00 0.00 C ATOM 0 HA PRO A 17 36.045 -14.664 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 17 35.209 -12.368 3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 17 36.916 -12.722 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 17 35.207 -10.813 1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 17 36.897 -10.677 2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 17 35.987 -11.404 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.600 -11.731 0.119 1.00 0.00 H new ATOM 292 N ARG A 18 33.417 -13.845 2.645 1.00 0.00 N ATOM 293 CA ARG A 18 31.932 -14.005 2.571 1.00 0.00 C ATOM 294 C ARG A 18 31.355 -13.113 1.458 1.00 0.00 C ATOM 295 O ARG A 18 32.045 -12.288 0.895 1.00 0.00 O ATOM 296 CB ARG A 18 31.414 -13.591 3.965 1.00 0.00 C ATOM 297 CG ARG A 18 31.268 -12.063 4.081 1.00 0.00 C ATOM 298 CD ARG A 18 32.640 -11.393 3.980 1.00 0.00 C ATOM 299 NE ARG A 18 33.420 -11.937 5.128 1.00 0.00 N ATOM 300 CZ ARG A 18 33.058 -11.663 6.352 1.00 0.00 C ATOM 301 NH1 ARG A 18 32.956 -10.420 6.739 1.00 0.00 N ATOM 302 NH2 ARG A 18 32.795 -12.630 7.187 1.00 0.00 N ATOM 0 H ARG A 18 33.790 -13.697 3.583 1.00 0.00 H new ATOM 0 HA ARG A 18 31.631 -15.024 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 18 30.450 -14.065 4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 18 32.100 -13.951 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 18 30.615 -11.692 3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 18 30.798 -11.806 5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 18 33.123 -11.623 3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 18 32.555 -10.308 4.039 1.00 0.00 H new ATOM 0 HE ARG A 18 34.237 -12.524 4.957 1.00 0.00 H new ATOM 0 HH11 ARG A 18 33.159 -9.664 6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 18 32.673 -10.205 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 18 32.872 -13.601 6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 18 32.512 -12.415 8.143 1.00 0.00 H new ATOM 316 N ARG A 19 30.102 -13.274 1.137 1.00 0.00 N ATOM 317 CA ARG A 19 29.506 -12.431 0.062 1.00 0.00 C ATOM 318 C ARG A 19 28.105 -11.955 0.462 1.00 0.00 C ATOM 319 O ARG A 19 27.721 -10.836 0.188 1.00 0.00 O ATOM 320 CB ARG A 19 29.433 -13.346 -1.161 1.00 0.00 C ATOM 321 CG ARG A 19 29.111 -12.514 -2.404 1.00 0.00 C ATOM 322 CD ARG A 19 28.711 -13.444 -3.552 1.00 0.00 C ATOM 323 NE ARG A 19 29.845 -13.369 -4.517 1.00 0.00 N ATOM 324 CZ ARG A 19 30.400 -14.465 -4.958 1.00 0.00 C ATOM 325 NH1 ARG A 19 31.129 -15.194 -4.158 1.00 0.00 N ATOM 326 NH2 ARG A 19 30.226 -14.833 -6.198 1.00 0.00 N ATOM 0 H ARG A 19 29.468 -13.947 1.568 1.00 0.00 H new ATOM 0 HA ARG A 19 30.096 -11.535 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 19 30.381 -13.867 -1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 19 28.668 -14.108 -1.013 1.00 0.00 H new ATOM 0 HG2 ARG A 19 28.302 -11.817 -2.188 1.00 0.00 H new ATOM 0 HG3 ARG A 19 29.978 -11.918 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 19 28.559 -14.464 -3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 19 27.777 -13.123 -4.014 1.00 0.00 H new ATOM 0 HE ARG A 19 30.187 -12.461 -4.833 1.00 0.00 H new ATOM 0 HH11 ARG A 19 31.265 -14.907 -3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 19 31.563 -16.051 -4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 19 29.656 -14.264 -6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 19 30.660 -15.690 -6.541 1.00 0.00 H new ATOM 340 N GLY A 20 27.338 -12.794 1.102 1.00 0.00 N ATOM 341 CA GLY A 20 25.965 -12.384 1.510 1.00 0.00 C ATOM 342 C GLY A 20 26.047 -11.253 2.539 1.00 0.00 C ATOM 343 O GLY A 20 25.244 -10.342 2.537 1.00 0.00 O ATOM 0 H GLY A 20 27.602 -13.745 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 20 25.399 -12.055 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 20 25.432 -13.235 1.933 1.00 0.00 H new ATOM 347 N GLU A 21 27.009 -11.306 3.420 1.00 0.00 N ATOM 348 CA GLU A 21 27.135 -10.233 4.449 1.00 0.00 C ATOM 349 C GLU A 21 27.596 -8.924 3.800 1.00 0.00 C ATOM 350 O GLU A 21 27.238 -7.846 4.234 1.00 0.00 O ATOM 351 CB GLU A 21 28.190 -10.746 5.430 1.00 0.00 C ATOM 352 CG GLU A 21 27.555 -10.951 6.808 1.00 0.00 C ATOM 353 CD GLU A 21 28.266 -10.067 7.835 1.00 0.00 C ATOM 354 OE1 GLU A 21 28.498 -8.909 7.530 1.00 0.00 O ATOM 355 OE2 GLU A 21 28.566 -10.563 8.908 1.00 0.00 O ATOM 0 H GLU A 21 27.712 -12.044 3.472 1.00 0.00 H new ATOM 0 HA GLU A 21 26.186 -10.023 4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.611 -11.685 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 21 29.013 -10.034 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.494 -10.703 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.628 -11.998 7.101 1.00 0.00 H new ATOM 362 N ILE A 22 28.386 -9.007 2.765 1.00 0.00 N ATOM 363 CA ILE A 22 28.866 -7.764 2.095 1.00 0.00 C ATOM 364 C ILE A 22 27.710 -7.076 1.371 1.00 0.00 C ATOM 365 O ILE A 22 27.424 -5.920 1.600 1.00 0.00 O ATOM 366 CB ILE A 22 29.922 -8.237 1.099 1.00 0.00 C ATOM 367 CG1 ILE A 22 31.042 -8.962 1.849 1.00 0.00 C ATOM 368 CG2 ILE A 22 30.491 -7.033 0.349 1.00 0.00 C ATOM 369 CD1 ILE A 22 31.806 -7.976 2.741 1.00 0.00 C ATOM 0 H ILE A 22 28.720 -9.879 2.355 1.00 0.00 H new ATOM 0 HA ILE A 22 29.270 -7.040 2.802 1.00 0.00 H new ATOM 0 HB ILE A 22 29.469 -8.923 0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 22 30.623 -9.764 2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 22 31.726 -9.425 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 22 31.245 -7.370 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.689 -6.525 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 22 30.946 -6.343 1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 22 32.600 -8.503 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 22 32.241 -7.189 2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 22 31.121 -7.533 3.464 1.00 0.00 H new ATOM 381 N GLU A 23 27.037 -7.772 0.501 1.00 0.00 N ATOM 382 CA GLU A 23 25.900 -7.149 -0.218 1.00 0.00 C ATOM 383 C GLU A 23 24.873 -6.653 0.799 1.00 0.00 C ATOM 384 O GLU A 23 24.217 -5.649 0.593 1.00 0.00 O ATOM 385 CB GLU A 23 25.353 -8.265 -1.110 1.00 0.00 C ATOM 386 CG GLU A 23 24.166 -7.754 -1.915 1.00 0.00 C ATOM 387 CD GLU A 23 22.885 -8.441 -1.436 1.00 0.00 C ATOM 388 OE1 GLU A 23 22.563 -8.301 -0.268 1.00 0.00 O ATOM 389 OE2 GLU A 23 22.248 -9.094 -2.246 1.00 0.00 O ATOM 0 H GLU A 23 27.227 -8.744 0.258 1.00 0.00 H new ATOM 0 HA GLU A 23 26.177 -6.280 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 23 26.134 -8.619 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 23 25.049 -9.115 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 23 24.075 -6.674 -1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.321 -7.951 -2.976 1.00 0.00 H new ATOM 396 N GLU A 24 24.762 -7.315 1.918 1.00 0.00 N ATOM 397 CA GLU A 24 23.814 -6.834 2.958 1.00 0.00 C ATOM 398 C GLU A 24 24.262 -5.437 3.383 1.00 0.00 C ATOM 399 O GLU A 24 23.468 -4.529 3.557 1.00 0.00 O ATOM 400 CB GLU A 24 23.944 -7.826 4.113 1.00 0.00 C ATOM 401 CG GLU A 24 23.089 -7.355 5.290 1.00 0.00 C ATOM 402 CD GLU A 24 22.365 -8.554 5.905 1.00 0.00 C ATOM 403 OE1 GLU A 24 21.562 -9.156 5.211 1.00 0.00 O ATOM 404 OE2 GLU A 24 22.627 -8.850 7.059 1.00 0.00 O ATOM 0 H GLU A 24 25.282 -8.160 2.154 1.00 0.00 H new ATOM 0 HA GLU A 24 22.780 -6.775 2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 24 23.625 -8.818 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 24 24.987 -7.910 4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 24 23.716 -6.872 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.365 -6.613 4.954 1.00 0.00 H new ATOM 411 N LEU A 25 25.549 -5.263 3.517 1.00 0.00 N ATOM 412 CA LEU A 25 26.093 -3.930 3.894 1.00 0.00 C ATOM 413 C LEU A 25 25.589 -2.886 2.907 1.00 0.00 C ATOM 414 O LEU A 25 24.979 -1.916 3.285 1.00 0.00 O ATOM 415 CB LEU A 25 27.611 -4.057 3.772 1.00 0.00 C ATOM 416 CG LEU A 25 28.276 -2.804 4.343 1.00 0.00 C ATOM 417 CD1 LEU A 25 28.162 -2.800 5.868 1.00 0.00 C ATOM 418 CD2 LEU A 25 29.753 -2.787 3.943 1.00 0.00 C ATOM 0 H LEU A 25 26.249 -5.992 3.380 1.00 0.00 H new ATOM 0 HA LEU A 25 25.790 -3.630 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 25 27.957 -4.941 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 25 27.893 -4.187 2.727 1.00 0.00 H new ATOM 0 HG LEU A 25 27.776 -1.921 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 25 28.638 -1.904 6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 27.110 -2.810 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 25 28.656 -3.684 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 25 30.230 -1.895 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 25 30.247 -3.674 4.339 1.00 0.00 H new ATOM 0 HD23 LEU A 25 29.836 -2.780 2.856 1.00 0.00 H new ATOM 430 N HIS A 26 25.843 -3.089 1.636 1.00 0.00 N ATOM 431 CA HIS A 26 25.382 -2.112 0.602 1.00 0.00 C ATOM 432 C HIS A 26 23.929 -1.697 0.855 1.00 0.00 C ATOM 433 O HIS A 26 23.587 -0.535 0.779 1.00 0.00 O ATOM 434 CB HIS A 26 25.506 -2.851 -0.728 1.00 0.00 C ATOM 435 CG HIS A 26 25.024 -1.955 -1.836 1.00 0.00 C ATOM 436 ND1 HIS A 26 25.756 -0.867 -2.288 1.00 0.00 N ATOM 437 CD2 HIS A 26 23.879 -1.973 -2.586 1.00 0.00 C ATOM 438 CE1 HIS A 26 25.044 -0.282 -3.272 1.00 0.00 C ATOM 439 NE2 HIS A 26 23.891 -0.917 -3.491 1.00 0.00 N ATOM 0 H HIS A 26 26.352 -3.893 1.270 1.00 0.00 H new ATOM 0 HA HIS A 26 25.973 -1.196 0.617 1.00 0.00 H new ATOM 0 HB2 HIS A 26 26.542 -3.140 -0.902 1.00 0.00 H new ATOM 0 HB3 HIS A 26 24.919 -3.769 -0.704 1.00 0.00 H new ATOM 0 HD1 HIS A 26 26.666 -0.565 -1.940 1.00 0.00 H new ATOM 0 HD2 HIS A 26 23.085 -2.699 -2.489 1.00 0.00 H new ATOM 0 HE1 HIS A 26 25.367 0.593 -3.816 1.00 0.00 H new ATOM 447 N LYS A 27 23.073 -2.631 1.170 1.00 0.00 N ATOM 448 CA LYS A 27 21.653 -2.262 1.441 1.00 0.00 C ATOM 449 C LYS A 27 21.611 -1.190 2.533 1.00 0.00 C ATOM 450 O LYS A 27 20.973 -0.161 2.393 1.00 0.00 O ATOM 451 CB LYS A 27 20.989 -3.552 1.922 1.00 0.00 C ATOM 452 CG LYS A 27 21.067 -4.608 0.817 1.00 0.00 C ATOM 453 CD LYS A 27 19.704 -5.285 0.660 1.00 0.00 C ATOM 454 CE LYS A 27 19.807 -6.404 -0.378 1.00 0.00 C ATOM 455 NZ LYS A 27 19.122 -5.867 -1.587 1.00 0.00 N ATOM 0 H LYS A 27 23.292 -3.624 1.251 1.00 0.00 H new ATOM 0 HA LYS A 27 21.146 -1.857 0.565 1.00 0.00 H new ATOM 0 HB2 LYS A 27 21.485 -3.915 2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 27 19.949 -3.362 2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 27 21.365 -4.144 -0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 27 21.827 -5.350 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.375 -5.691 1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.957 -4.555 0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 27 20.847 -6.652 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 27 19.327 -7.317 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.150 -6.577 -2.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.132 -5.646 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.605 -5.002 -1.904 1.00 0.00 H new ATOM 469 N LYS A 28 22.303 -1.414 3.616 1.00 0.00 N ATOM 470 CA LYS A 28 22.316 -0.397 4.703 1.00 0.00 C ATOM 471 C LYS A 28 22.827 0.935 4.145 1.00 0.00 C ATOM 472 O LYS A 28 22.225 1.970 4.338 1.00 0.00 O ATOM 473 CB LYS A 28 23.277 -0.948 5.757 1.00 0.00 C ATOM 474 CG LYS A 28 22.482 -1.420 6.976 1.00 0.00 C ATOM 475 CD LYS A 28 22.128 -2.900 6.813 1.00 0.00 C ATOM 476 CE LYS A 28 21.197 -3.330 7.949 1.00 0.00 C ATOM 477 NZ LYS A 28 19.834 -2.922 7.502 1.00 0.00 N ATOM 0 H LYS A 28 22.857 -2.252 3.794 1.00 0.00 H new ATOM 0 HA LYS A 28 21.327 -0.216 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.853 -1.776 5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 28 23.991 -0.179 6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 28 23.067 -1.273 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 28 21.573 -0.827 7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 28 21.645 -3.065 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.035 -3.505 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.252 -4.405 8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.467 -2.845 8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.292 -2.570 8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.913 -2.170 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.345 -3.741 7.089 1.00 0.00 H new ATOM 491 N PHE A 29 23.930 0.905 3.442 1.00 0.00 N ATOM 492 CA PHE A 29 24.497 2.150 2.848 1.00 0.00 C ATOM 493 C PHE A 29 23.411 2.922 2.101 1.00 0.00 C ATOM 494 O PHE A 29 23.383 4.135 2.112 1.00 0.00 O ATOM 495 CB PHE A 29 25.580 1.660 1.880 1.00 0.00 C ATOM 496 CG PHE A 29 26.790 1.120 2.631 1.00 0.00 C ATOM 497 CD1 PHE A 29 26.864 1.169 4.050 1.00 0.00 C ATOM 498 CD2 PHE A 29 27.860 0.564 1.896 1.00 0.00 C ATOM 499 CE1 PHE A 29 28.000 0.664 4.717 1.00 0.00 C ATOM 500 CE2 PHE A 29 28.996 0.061 2.566 1.00 0.00 C ATOM 501 CZ PHE A 29 29.065 0.112 3.976 1.00 0.00 C ATOM 0 H PHE A 29 24.468 0.059 3.253 1.00 0.00 H new ATOM 0 HA PHE A 29 24.898 2.827 3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 29 25.171 0.881 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 29 25.888 2.479 1.231 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.049 1.593 4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 29 27.809 0.524 0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 29 28.054 0.700 5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 29 29.813 -0.363 2.000 1.00 0.00 H new ATOM 0 HZ PHE A 29 29.935 -0.273 4.487 1.00 0.00 H new ATOM 511 N HIS A 30 22.506 2.231 1.464 1.00 0.00 N ATOM 512 CA HIS A 30 21.418 2.943 0.741 1.00 0.00 C ATOM 513 C HIS A 30 20.575 3.702 1.760 1.00 0.00 C ATOM 514 O HIS A 30 20.325 4.882 1.620 1.00 0.00 O ATOM 515 CB HIS A 30 20.602 1.846 0.055 1.00 0.00 C ATOM 516 CG HIS A 30 19.412 2.459 -0.630 1.00 0.00 C ATOM 517 ND1 HIS A 30 18.372 1.692 -1.132 1.00 0.00 N ATOM 518 CD2 HIS A 30 19.082 3.764 -0.903 1.00 0.00 C ATOM 519 CE1 HIS A 30 17.474 2.534 -1.676 1.00 0.00 C ATOM 520 NE2 HIS A 30 17.858 3.809 -1.563 1.00 0.00 N ATOM 0 H HIS A 30 22.473 1.213 1.413 1.00 0.00 H new ATOM 0 HA HIS A 30 21.785 3.665 0.011 1.00 0.00 H new ATOM 0 HB2 HIS A 30 21.221 1.318 -0.671 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.273 1.110 0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.681 4.624 -0.645 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.555 2.218 -2.147 1.00 0.00 H new ATOM 0 HE2 HIS A 30 17.361 4.637 -1.890 1.00 0.00 H new ATOM 528 N GLU A 31 20.167 3.040 2.809 1.00 0.00 N ATOM 529 CA GLU A 31 19.376 3.739 3.863 1.00 0.00 C ATOM 530 C GLU A 31 20.322 4.546 4.771 1.00 0.00 C ATOM 531 O GLU A 31 19.901 5.177 5.720 1.00 0.00 O ATOM 532 CB GLU A 31 18.691 2.623 4.652 1.00 0.00 C ATOM 533 CG GLU A 31 17.261 3.047 4.995 1.00 0.00 C ATOM 534 CD GLU A 31 16.546 1.900 5.711 1.00 0.00 C ATOM 535 OE1 GLU A 31 17.050 1.459 6.731 1.00 0.00 O ATOM 536 OE2 GLU A 31 15.507 1.482 5.228 1.00 0.00 O ATOM 0 H GLU A 31 20.346 2.051 2.982 1.00 0.00 H new ATOM 0 HA GLU A 31 18.652 4.440 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.679 1.703 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.249 2.413 5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.276 3.933 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.722 3.315 4.086 1.00 0.00 H new ATOM 543 N LEU A 32 21.600 4.526 4.479 1.00 0.00 N ATOM 544 CA LEU A 32 22.589 5.276 5.301 1.00 0.00 C ATOM 545 C LEU A 32 22.786 6.679 4.726 1.00 0.00 C ATOM 546 O LEU A 32 23.005 7.633 5.446 1.00 0.00 O ATOM 547 CB LEU A 32 23.885 4.468 5.145 1.00 0.00 C ATOM 548 CG LEU A 32 24.824 4.690 6.336 1.00 0.00 C ATOM 549 CD1 LEU A 32 26.016 3.740 6.206 1.00 0.00 C ATOM 550 CD2 LEU A 32 25.343 6.129 6.342 1.00 0.00 C ATOM 0 H LEU A 32 22.001 4.013 3.694 1.00 0.00 H new ATOM 0 HA LEU A 32 22.278 5.389 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 32 23.647 3.408 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 32 24.388 4.758 4.223 1.00 0.00 H new ATOM 0 HG LEU A 32 24.279 4.502 7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 32 26.693 3.888 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 32 25.661 2.709 6.202 1.00 0.00 H new ATOM 0 HD13 LEU A 32 26.545 3.945 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 32 26.009 6.272 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 32 25.888 6.323 5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 32 24.502 6.819 6.419 1.00 0.00 H new ATOM 562 N ILE A 33 22.745 6.807 3.426 1.00 0.00 N ATOM 563 CA ILE A 33 22.977 8.147 2.810 1.00 0.00 C ATOM 564 C ILE A 33 21.773 8.588 1.963 1.00 0.00 C ATOM 565 O ILE A 33 21.806 9.616 1.317 1.00 0.00 O ATOM 566 CB ILE A 33 24.225 7.956 1.937 1.00 0.00 C ATOM 567 CG1 ILE A 33 23.885 7.030 0.759 1.00 0.00 C ATOM 568 CG2 ILE A 33 25.347 7.340 2.787 1.00 0.00 C ATOM 569 CD1 ILE A 33 25.123 6.787 -0.104 1.00 0.00 C ATOM 0 H ILE A 33 22.563 6.049 2.769 1.00 0.00 H new ATOM 0 HA ILE A 33 23.110 8.926 3.560 1.00 0.00 H new ATOM 0 HB ILE A 33 24.558 8.918 1.548 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.503 6.080 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 33 23.095 7.475 0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 33 26.236 7.202 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 33 25.581 8.005 3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.021 6.375 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 33 24.865 6.129 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 33 25.487 7.738 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 33 25.902 6.321 0.500 1.00 0.00 H new ATOM 652 N GLU B 4 33.518 -5.065 8.049 1.00 0.00 N ATOM 653 CA GLU B 4 33.486 -3.959 9.048 1.00 0.00 C ATOM 654 C GLU B 4 34.522 -2.886 8.698 1.00 0.00 C ATOM 655 O GLU B 4 34.459 -1.772 9.178 1.00 0.00 O ATOM 656 CB GLU B 4 33.837 -4.622 10.379 1.00 0.00 C ATOM 657 CG GLU B 4 32.736 -4.331 11.400 1.00 0.00 C ATOM 658 CD GLU B 4 33.353 -4.210 12.795 1.00 0.00 C ATOM 659 OE1 GLU B 4 34.167 -3.322 12.987 1.00 0.00 O ATOM 660 OE2 GLU B 4 33.000 -5.008 13.648 1.00 0.00 O ATOM 0 HA GLU B 4 32.516 -3.462 9.077 1.00 0.00 H new ATOM 0 HB2 GLU B 4 33.947 -5.698 10.244 1.00 0.00 H new ATOM 0 HB3 GLU B 4 34.794 -4.247 10.743 1.00 0.00 H new ATOM 0 HG2 GLU B 4 32.218 -3.408 11.139 1.00 0.00 H new ATOM 0 HG3 GLU B 4 31.993 -5.129 11.387 1.00 0.00 H new ATOM 667 N GLU B 5 35.475 -3.212 7.869 1.00 0.00 N ATOM 668 CA GLU B 5 36.512 -2.207 7.496 1.00 0.00 C ATOM 669 C GLU B 5 35.935 -1.201 6.499 1.00 0.00 C ATOM 670 O GLU B 5 36.009 -0.004 6.698 1.00 0.00 O ATOM 671 CB GLU B 5 37.636 -3.018 6.851 1.00 0.00 C ATOM 672 CG GLU B 5 38.289 -3.913 7.907 1.00 0.00 C ATOM 673 CD GLU B 5 39.803 -3.692 7.897 1.00 0.00 C ATOM 674 OE1 GLU B 5 40.468 -4.317 7.087 1.00 0.00 O ATOM 675 OE2 GLU B 5 40.272 -2.901 8.699 1.00 0.00 O ATOM 0 H GLU B 5 35.581 -4.129 7.434 1.00 0.00 H new ATOM 0 HA GLU B 5 36.864 -1.637 8.356 1.00 0.00 H new ATOM 0 HB2 GLU B 5 37.240 -3.626 6.038 1.00 0.00 H new ATOM 0 HB3 GLU B 5 38.379 -2.349 6.416 1.00 0.00 H new ATOM 0 HG2 GLU B 5 37.884 -3.685 8.893 1.00 0.00 H new ATOM 0 HG3 GLU B 5 38.062 -4.959 7.703 1.00 0.00 H new ATOM 682 N LEU B 6 35.358 -1.675 5.429 1.00 0.00 N ATOM 683 CA LEU B 6 34.777 -0.738 4.428 1.00 0.00 C ATOM 684 C LEU B 6 33.577 -0.004 5.051 1.00 0.00 C ATOM 685 O LEU B 6 33.256 1.109 4.681 1.00 0.00 O ATOM 686 CB LEU B 6 34.398 -1.634 3.220 1.00 0.00 C ATOM 687 CG LEU B 6 32.887 -1.908 3.143 1.00 0.00 C ATOM 688 CD1 LEU B 6 32.173 -0.679 2.577 1.00 0.00 C ATOM 689 CD2 LEU B 6 32.632 -3.105 2.223 1.00 0.00 C ATOM 0 H LEU B 6 35.264 -2.666 5.206 1.00 0.00 H new ATOM 0 HA LEU B 6 35.460 0.048 4.107 1.00 0.00 H new ATOM 0 HB2 LEU B 6 34.724 -1.153 2.298 1.00 0.00 H new ATOM 0 HB3 LEU B 6 34.933 -2.581 3.292 1.00 0.00 H new ATOM 0 HG LEU B 6 32.508 -2.125 4.142 1.00 0.00 H new ATOM 0 HD11 LEU B 6 31.102 -0.873 2.522 1.00 0.00 H new ATOM 0 HD12 LEU B 6 32.354 0.178 3.226 1.00 0.00 H new ATOM 0 HD13 LEU B 6 32.554 -0.465 1.579 1.00 0.00 H new ATOM 0 HD21 LEU B 6 31.561 -3.300 2.168 1.00 0.00 H new ATOM 0 HD22 LEU B 6 33.013 -2.885 1.226 1.00 0.00 H new ATOM 0 HD23 LEU B 6 33.141 -3.984 2.620 1.00 0.00 H new ATOM 701 N GLU B 7 32.929 -0.619 6.004 1.00 0.00 N ATOM 702 CA GLU B 7 31.764 0.038 6.665 1.00 0.00 C ATOM 703 C GLU B 7 32.242 1.213 7.516 1.00 0.00 C ATOM 704 O GLU B 7 31.725 2.312 7.432 1.00 0.00 O ATOM 705 CB GLU B 7 31.152 -1.041 7.555 1.00 0.00 C ATOM 706 CG GLU B 7 29.710 -0.661 7.897 1.00 0.00 C ATOM 707 CD GLU B 7 29.247 -1.463 9.115 1.00 0.00 C ATOM 708 OE1 GLU B 7 29.908 -1.382 10.138 1.00 0.00 O ATOM 709 OE2 GLU B 7 28.241 -2.143 9.004 1.00 0.00 O ATOM 0 H GLU B 7 33.157 -1.550 6.354 1.00 0.00 H new ATOM 0 HA GLU B 7 31.047 0.429 5.943 1.00 0.00 H new ATOM 0 HB2 GLU B 7 31.175 -2.004 7.045 1.00 0.00 H new ATOM 0 HB3 GLU B 7 31.737 -1.150 8.468 1.00 0.00 H new ATOM 0 HG2 GLU B 7 29.643 0.407 8.105 1.00 0.00 H new ATOM 0 HG3 GLU B 7 29.058 -0.862 7.047 1.00 0.00 H new ATOM 716 N LYS B 8 33.228 0.988 8.339 1.00 0.00 N ATOM 717 CA LYS B 8 33.740 2.094 9.192 1.00 0.00 C ATOM 718 C LYS B 8 34.217 3.237 8.308 1.00 0.00 C ATOM 719 O LYS B 8 33.832 4.370 8.489 1.00 0.00 O ATOM 720 CB LYS B 8 34.901 1.492 9.984 1.00 0.00 C ATOM 721 CG LYS B 8 34.649 1.682 11.481 1.00 0.00 C ATOM 722 CD LYS B 8 33.438 0.849 11.905 1.00 0.00 C ATOM 723 CE LYS B 8 32.383 1.763 12.530 1.00 0.00 C ATOM 724 NZ LYS B 8 33.039 2.328 13.743 1.00 0.00 N ATOM 0 H LYS B 8 33.699 0.091 8.457 1.00 0.00 H new ATOM 0 HA LYS B 8 32.977 2.498 9.858 1.00 0.00 H new ATOM 0 HB2 LYS B 8 35.002 0.432 9.753 1.00 0.00 H new ATOM 0 HB3 LYS B 8 35.837 1.971 9.698 1.00 0.00 H new ATOM 0 HG2 LYS B 8 35.528 1.380 12.050 1.00 0.00 H new ATOM 0 HG3 LYS B 8 34.474 2.735 11.700 1.00 0.00 H new ATOM 0 HD2 LYS B 8 33.020 0.330 11.042 1.00 0.00 H new ATOM 0 HD3 LYS B 8 33.742 0.084 12.620 1.00 0.00 H new ATOM 0 HE2 LYS B 8 32.083 2.551 11.839 1.00 0.00 H new ATOM 0 HE3 LYS B 8 31.482 1.207 12.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 32.340 2.413 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 33.809 1.699 14.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 33.426 3.268 13.522 1.00 0.00 H new ATOM 738 N LYS B 9 35.034 2.949 7.338 1.00 0.00 N ATOM 739 CA LYS B 9 35.505 4.028 6.429 1.00 0.00 C ATOM 740 C LYS B 9 34.292 4.670 5.750 1.00 0.00 C ATOM 741 O LYS B 9 34.332 5.803 5.314 1.00 0.00 O ATOM 742 CB LYS B 9 36.387 3.319 5.402 1.00 0.00 C ATOM 743 CG LYS B 9 37.641 2.779 6.091 1.00 0.00 C ATOM 744 CD LYS B 9 38.875 3.496 5.538 1.00 0.00 C ATOM 745 CE LYS B 9 39.797 3.885 6.695 1.00 0.00 C ATOM 746 NZ LYS B 9 39.407 5.281 7.040 1.00 0.00 N ATOM 0 H LYS B 9 35.396 2.017 7.135 1.00 0.00 H new ATOM 0 HA LYS B 9 36.050 4.818 6.946 1.00 0.00 H new ATOM 0 HB2 LYS B 9 35.836 2.503 4.936 1.00 0.00 H new ATOM 0 HB3 LYS B 9 36.666 4.011 4.607 1.00 0.00 H new ATOM 0 HG2 LYS B 9 37.571 2.931 7.168 1.00 0.00 H new ATOM 0 HG3 LYS B 9 37.726 1.705 5.925 1.00 0.00 H new ATOM 0 HD2 LYS B 9 39.404 2.847 4.839 1.00 0.00 H new ATOM 0 HD3 LYS B 9 38.575 4.385 4.983 1.00 0.00 H new ATOM 0 HE2 LYS B 9 39.667 3.216 7.546 1.00 0.00 H new ATOM 0 HE3 LYS B 9 40.845 3.828 6.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 39.995 5.621 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 39.547 5.895 6.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 38.406 5.302 7.321 1.00 0.00 H new ATOM 760 N PHE B 10 33.212 3.939 5.661 1.00 0.00 N ATOM 761 CA PHE B 10 31.979 4.474 5.016 1.00 0.00 C ATOM 762 C PHE B 10 31.427 5.676 5.793 1.00 0.00 C ATOM 763 O PHE B 10 31.415 6.792 5.305 1.00 0.00 O ATOM 764 CB PHE B 10 30.987 3.306 5.068 1.00 0.00 C ATOM 765 CG PHE B 10 30.036 3.377 3.900 1.00 0.00 C ATOM 766 CD1 PHE B 10 30.482 3.032 2.605 1.00 0.00 C ATOM 767 CD2 PHE B 10 28.695 3.773 4.105 1.00 0.00 C ATOM 768 CE1 PHE B 10 29.588 3.085 1.514 1.00 0.00 C ATOM 769 CE2 PHE B 10 27.799 3.821 3.015 1.00 0.00 C ATOM 770 CZ PHE B 10 28.247 3.478 1.719 1.00 0.00 C ATOM 0 H PHE B 10 33.132 2.985 6.012 1.00 0.00 H new ATOM 0 HA PHE B 10 32.166 4.825 4.001 1.00 0.00 H new ATOM 0 HB2 PHE B 10 31.527 2.360 5.049 1.00 0.00 H new ATOM 0 HB3 PHE B 10 30.428 3.335 6.003 1.00 0.00 H new ATOM 0 HD1 PHE B 10 31.507 2.728 2.450 1.00 0.00 H new ATOM 0 HD2 PHE B 10 28.356 4.039 5.095 1.00 0.00 H new ATOM 0 HE1 PHE B 10 29.929 2.825 0.523 1.00 0.00 H new ATOM 0 HE2 PHE B 10 26.773 4.119 3.171 1.00 0.00 H new ATOM 0 HZ PHE B 10 27.563 3.517 0.884 1.00 0.00 H new ATOM 780 N LYS B 11 30.960 5.461 6.994 1.00 0.00 N ATOM 781 CA LYS B 11 30.392 6.597 7.780 1.00 0.00 C ATOM 782 C LYS B 11 31.479 7.613 8.127 1.00 0.00 C ATOM 783 O LYS B 11 31.218 8.790 8.288 1.00 0.00 O ATOM 784 CB LYS B 11 29.832 5.955 9.045 1.00 0.00 C ATOM 785 CG LYS B 11 29.149 7.024 9.901 1.00 0.00 C ATOM 786 CD LYS B 11 27.948 7.593 9.143 1.00 0.00 C ATOM 787 CE LYS B 11 27.030 8.328 10.122 1.00 0.00 C ATOM 788 NZ LYS B 11 26.200 9.223 9.266 1.00 0.00 N ATOM 0 H LYS B 11 30.947 4.555 7.463 1.00 0.00 H new ATOM 0 HA LYS B 11 29.630 7.141 7.222 1.00 0.00 H new ATOM 0 HB2 LYS B 11 29.119 5.173 8.784 1.00 0.00 H new ATOM 0 HB3 LYS B 11 30.634 5.479 9.610 1.00 0.00 H new ATOM 0 HG2 LYS B 11 28.824 6.594 10.848 1.00 0.00 H new ATOM 0 HG3 LYS B 11 29.854 7.821 10.138 1.00 0.00 H new ATOM 0 HD2 LYS B 11 28.286 8.275 8.363 1.00 0.00 H new ATOM 0 HD3 LYS B 11 27.402 6.789 8.649 1.00 0.00 H new ATOM 0 HE2 LYS B 11 26.409 7.629 10.683 1.00 0.00 H new ATOM 0 HE3 LYS B 11 27.605 8.899 10.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 25.542 9.763 9.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 26.818 9.881 8.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 25.659 8.650 8.587 1.00 0.00 H new ATOM 802 N GLU B 12 32.693 7.168 8.240 1.00 0.00 N ATOM 803 CA GLU B 12 33.802 8.101 8.574 1.00 0.00 C ATOM 804 C GLU B 12 34.162 8.939 7.350 1.00 0.00 C ATOM 805 O GLU B 12 34.726 10.010 7.463 1.00 0.00 O ATOM 806 CB GLU B 12 34.971 7.200 8.970 1.00 0.00 C ATOM 807 CG GLU B 12 34.929 6.940 10.477 1.00 0.00 C ATOM 808 CD GLU B 12 36.010 7.773 11.169 1.00 0.00 C ATOM 809 OE1 GLU B 12 37.176 7.460 10.990 1.00 0.00 O ATOM 810 OE2 GLU B 12 35.654 8.710 11.865 1.00 0.00 O ATOM 0 H GLU B 12 32.969 6.194 8.115 1.00 0.00 H new ATOM 0 HA GLU B 12 33.537 8.795 9.371 1.00 0.00 H new ATOM 0 HB2 GLU B 12 34.917 6.257 8.426 1.00 0.00 H new ATOM 0 HB3 GLU B 12 35.915 7.671 8.698 1.00 0.00 H new ATOM 0 HG2 GLU B 12 33.947 7.197 10.874 1.00 0.00 H new ATOM 0 HG3 GLU B 12 35.087 5.880 10.679 1.00 0.00 H new ATOM 817 N LEU B 13 33.838 8.466 6.179 1.00 0.00 N ATOM 818 CA LEU B 13 34.162 9.248 4.958 1.00 0.00 C ATOM 819 C LEU B 13 33.120 10.351 4.760 1.00 0.00 C ATOM 820 O LEU B 13 33.442 11.457 4.375 1.00 0.00 O ATOM 821 CB LEU B 13 34.125 8.238 3.815 1.00 0.00 C ATOM 822 CG LEU B 13 35.546 7.730 3.553 1.00 0.00 C ATOM 823 CD1 LEU B 13 35.489 6.421 2.766 1.00 0.00 C ATOM 824 CD2 LEU B 13 36.324 8.774 2.749 1.00 0.00 C ATOM 0 H LEU B 13 33.366 7.577 6.017 1.00 0.00 H new ATOM 0 HA LEU B 13 35.133 9.740 5.018 1.00 0.00 H new ATOM 0 HB2 LEU B 13 33.468 7.406 4.069 1.00 0.00 H new ATOM 0 HB3 LEU B 13 33.719 8.701 2.916 1.00 0.00 H new ATOM 0 HG LEU B 13 36.047 7.557 4.506 1.00 0.00 H new ATOM 0 HD11 LEU B 13 36.502 6.063 2.582 1.00 0.00 H new ATOM 0 HD12 LEU B 13 34.939 5.675 3.340 1.00 0.00 H new ATOM 0 HD13 LEU B 13 34.985 6.590 1.814 1.00 0.00 H new ATOM 0 HD21 LEU B 13 37.335 8.411 2.563 1.00 0.00 H new ATOM 0 HD22 LEU B 13 35.821 8.950 1.798 1.00 0.00 H new ATOM 0 HD23 LEU B 13 36.371 9.706 3.312 1.00 0.00 H new ATOM 836 N TRP B 14 31.875 10.067 5.037 1.00 0.00 N ATOM 837 CA TRP B 14 30.828 11.120 4.879 1.00 0.00 C ATOM 838 C TRP B 14 31.069 12.237 5.887 1.00 0.00 C ATOM 839 O TRP B 14 31.052 13.407 5.558 1.00 0.00 O ATOM 840 CB TRP B 14 29.502 10.429 5.186 1.00 0.00 C ATOM 841 CG TRP B 14 28.751 10.226 3.918 1.00 0.00 C ATOM 842 CD1 TRP B 14 28.056 11.178 3.245 1.00 0.00 C ATOM 843 CD2 TRP B 14 28.615 9.008 3.155 1.00 0.00 C ATOM 844 NE1 TRP B 14 27.506 10.615 2.115 1.00 0.00 N ATOM 845 CE2 TRP B 14 27.821 9.282 2.013 1.00 0.00 C ATOM 846 CE3 TRP B 14 29.100 7.693 3.339 1.00 0.00 C ATOM 847 CZ2 TRP B 14 27.518 8.288 1.085 1.00 0.00 C ATOM 848 CZ3 TRP B 14 28.800 6.685 2.403 1.00 0.00 C ATOM 849 CH2 TRP B 14 28.011 6.980 1.275 1.00 0.00 C ATOM 0 H TRP B 14 31.539 9.161 5.363 1.00 0.00 H new ATOM 0 HA TRP B 14 30.838 11.558 3.881 1.00 0.00 H new ATOM 0 HB2 TRP B 14 29.682 9.471 5.673 1.00 0.00 H new ATOM 0 HB3 TRP B 14 28.915 11.033 5.878 1.00 0.00 H new ATOM 0 HD1 TRP B 14 27.951 12.210 3.547 1.00 0.00 H new ATOM 0 HE1 TRP B 14 26.936 11.124 1.439 1.00 0.00 H new ATOM 0 HE3 TRP B 14 29.705 7.460 4.203 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 26.908 8.518 0.224 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 29.176 5.683 2.551 1.00 0.00 H new ATOM 0 HH2 TRP B 14 27.784 6.206 0.557 1.00 0.00 H new ATOM 860 N LYS B 15 31.288 11.878 7.117 1.00 0.00 N ATOM 861 CA LYS B 15 31.525 12.903 8.164 1.00 0.00 C ATOM 862 C LYS B 15 33.020 12.988 8.480 1.00 0.00 C ATOM 863 O LYS B 15 33.475 12.562 9.523 1.00 0.00 O ATOM 864 CB LYS B 15 30.728 12.400 9.363 1.00 0.00 C ATOM 865 CG LYS B 15 30.912 13.356 10.542 1.00 0.00 C ATOM 866 CD LYS B 15 29.964 14.546 10.386 1.00 0.00 C ATOM 867 CE LYS B 15 28.809 14.412 11.380 1.00 0.00 C ATOM 868 NZ LYS B 15 27.577 14.467 10.543 1.00 0.00 N ATOM 0 H LYS B 15 31.313 10.912 7.444 1.00 0.00 H new ATOM 0 HA LYS B 15 31.219 13.906 7.865 1.00 0.00 H new ATOM 0 HB2 LYS B 15 29.672 12.325 9.104 1.00 0.00 H new ATOM 0 HB3 LYS B 15 31.060 11.399 9.639 1.00 0.00 H new ATOM 0 HG2 LYS B 15 30.711 12.837 11.479 1.00 0.00 H new ATOM 0 HG3 LYS B 15 31.944 13.703 10.585 1.00 0.00 H new ATOM 0 HD2 LYS B 15 30.502 15.478 10.560 1.00 0.00 H new ATOM 0 HD3 LYS B 15 29.578 14.586 9.367 1.00 0.00 H new ATOM 0 HE2 LYS B 15 28.870 13.475 11.933 1.00 0.00 H new ATOM 0 HE3 LYS B 15 28.824 15.217 12.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 26.739 14.381 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 27.544 15.373 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 27.588 13.685 9.858 1.00 0.00 H new ATOM 882 N GLY B 16 33.786 13.531 7.573 1.00 0.00 N ATOM 883 CA GLY B 16 35.255 13.647 7.791 1.00 0.00 C ATOM 884 C GLY B 16 35.905 14.180 6.509 1.00 0.00 C ATOM 885 O GLY B 16 35.983 15.375 6.306 1.00 0.00 O ATOM 0 H GLY B 16 33.453 13.902 6.683 1.00 0.00 H new ATOM 0 HA2 GLY B 16 35.461 14.318 8.625 1.00 0.00 H new ATOM 0 HA3 GLY B 16 35.676 12.676 8.052 1.00 0.00 H new ATOM 889 N PRO B 17 36.345 13.269 5.678 1.00 0.00 N ATOM 890 CA PRO B 17 36.983 13.654 4.398 1.00 0.00 C ATOM 891 C PRO B 17 35.906 14.069 3.389 1.00 0.00 C ATOM 892 O PRO B 17 34.798 14.400 3.763 1.00 0.00 O ATOM 893 CB PRO B 17 37.691 12.376 3.953 1.00 0.00 C ATOM 894 CG PRO B 17 36.937 11.259 4.607 1.00 0.00 C ATOM 895 CD PRO B 17 36.291 11.813 5.853 1.00 0.00 C ATOM 0 HA PRO B 17 37.667 14.498 4.485 1.00 0.00 H new ATOM 0 HB2 PRO B 17 37.678 12.277 2.868 1.00 0.00 H new ATOM 0 HB3 PRO B 17 38.737 12.378 4.261 1.00 0.00 H new ATOM 0 HG2 PRO B 17 36.182 10.859 3.930 1.00 0.00 H new ATOM 0 HG3 PRO B 17 37.609 10.438 4.857 1.00 0.00 H new ATOM 0 HD2 PRO B 17 35.264 11.463 5.957 1.00 0.00 H new ATOM 0 HD3 PRO B 17 36.826 11.501 6.750 1.00 0.00 H new ATOM 903 N ARG B 18 36.215 14.053 2.117 1.00 0.00 N ATOM 904 CA ARG B 18 35.198 14.443 1.093 1.00 0.00 C ATOM 905 C ARG B 18 33.864 13.729 1.366 1.00 0.00 C ATOM 906 O ARG B 18 33.784 12.848 2.199 1.00 0.00 O ATOM 907 CB ARG B 18 35.809 14.020 -0.260 1.00 0.00 C ATOM 908 CG ARG B 18 35.562 12.527 -0.548 1.00 0.00 C ATOM 909 CD ARG B 18 36.297 11.665 0.481 1.00 0.00 C ATOM 910 NE ARG B 18 37.740 12.003 0.309 1.00 0.00 N ATOM 911 CZ ARG B 18 38.351 11.705 -0.806 1.00 0.00 C ATOM 912 NH1 ARG B 18 38.376 10.470 -1.226 1.00 0.00 N ATOM 913 NH2 ARG B 18 38.936 12.643 -1.500 1.00 0.00 N ATOM 0 H ARG B 18 37.126 13.787 1.743 1.00 0.00 H new ATOM 0 HA ARG B 18 34.975 15.510 1.108 1.00 0.00 H new ATOM 0 HB2 ARG B 18 35.378 14.622 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG B 18 36.881 14.218 -0.254 1.00 0.00 H new ATOM 0 HG2 ARG B 18 34.493 12.314 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG B 18 35.906 12.281 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG B 18 35.958 11.885 1.494 1.00 0.00 H new ATOM 0 HD3 ARG B 18 36.117 10.604 0.308 1.00 0.00 H new ATOM 0 HE ARG B 18 38.249 12.466 1.062 1.00 0.00 H new ATOM 0 HH11 ARG B 18 37.918 9.737 -0.683 1.00 0.00 H new ATOM 0 HH12 ARG B 18 38.853 10.237 -2.097 1.00 0.00 H new ATOM 0 HH21 ARG B 18 38.916 13.608 -1.171 1.00 0.00 H new ATOM 0 HH22 ARG B 18 39.413 12.411 -2.371 1.00 0.00 H new ATOM 927 N ARG B 19 32.822 14.099 0.678 1.00 0.00 N ATOM 928 CA ARG B 19 31.510 13.432 0.915 1.00 0.00 C ATOM 929 C ARG B 19 30.799 13.150 -0.412 1.00 0.00 C ATOM 930 O ARG B 19 30.172 12.123 -0.583 1.00 0.00 O ATOM 931 CB ARG B 19 30.708 14.427 1.755 1.00 0.00 C ATOM 932 CG ARG B 19 29.458 13.739 2.306 1.00 0.00 C ATOM 933 CD ARG B 19 28.494 14.795 2.853 1.00 0.00 C ATOM 934 NE ARG B 19 28.529 14.615 4.332 1.00 0.00 N ATOM 935 CZ ARG B 19 28.745 15.641 5.110 1.00 0.00 C ATOM 936 NH1 ARG B 19 29.926 16.194 5.149 1.00 0.00 N ATOM 937 NH2 ARG B 19 27.778 16.113 5.849 1.00 0.00 N ATOM 0 H ARG B 19 32.820 14.829 -0.034 1.00 0.00 H new ATOM 0 HA ARG B 19 31.624 12.471 1.416 1.00 0.00 H new ATOM 0 HB2 ARG B 19 31.320 14.803 2.575 1.00 0.00 H new ATOM 0 HB3 ARG B 19 30.425 15.287 1.148 1.00 0.00 H new ATOM 0 HG2 ARG B 19 28.972 13.160 1.521 1.00 0.00 H new ATOM 0 HG3 ARG B 19 29.733 13.039 3.095 1.00 0.00 H new ATOM 0 HD2 ARG B 19 28.806 15.800 2.570 1.00 0.00 H new ATOM 0 HD3 ARG B 19 27.487 14.652 2.461 1.00 0.00 H new ATOM 0 HE ARG B 19 28.384 13.690 4.737 1.00 0.00 H new ATOM 0 HH11 ARG B 19 30.681 15.825 4.571 1.00 0.00 H new ATOM 0 HH12 ARG B 19 30.094 16.996 5.757 1.00 0.00 H new ATOM 0 HH21 ARG B 19 26.855 15.680 5.818 1.00 0.00 H new ATOM 0 HH22 ARG B 19 27.946 16.914 6.457 1.00 0.00 H new ATOM 951 N GLY B 20 30.885 14.051 -1.351 1.00 0.00 N ATOM 952 CA GLY B 20 30.207 13.828 -2.660 1.00 0.00 C ATOM 953 C GLY B 20 30.844 12.633 -3.374 1.00 0.00 C ATOM 954 O GLY B 20 30.171 11.857 -4.023 1.00 0.00 O ATOM 0 H GLY B 20 31.394 14.931 -1.269 1.00 0.00 H new ATOM 0 HA2 GLY B 20 29.144 13.646 -2.503 1.00 0.00 H new ATOM 0 HA3 GLY B 20 30.290 14.721 -3.280 1.00 0.00 H new ATOM 958 N GLU B 21 32.135 12.478 -3.264 1.00 0.00 N ATOM 959 CA GLU B 21 32.808 11.332 -3.943 1.00 0.00 C ATOM 960 C GLU B 21 32.438 10.015 -3.254 1.00 0.00 C ATOM 961 O GLU B 21 32.350 8.978 -3.883 1.00 0.00 O ATOM 962 CB GLU B 21 34.305 11.610 -3.801 1.00 0.00 C ATOM 963 CG GLU B 21 34.924 11.815 -5.187 1.00 0.00 C ATOM 964 CD GLU B 21 36.012 10.765 -5.420 1.00 0.00 C ATOM 965 OE1 GLU B 21 35.764 9.607 -5.125 1.00 0.00 O ATOM 966 OE2 GLU B 21 37.075 11.137 -5.890 1.00 0.00 O ATOM 0 H GLU B 21 32.753 13.093 -2.735 1.00 0.00 H new ATOM 0 HA GLU B 21 32.508 11.238 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU B 21 34.464 12.496 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU B 21 34.793 10.778 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU B 21 34.155 11.735 -5.956 1.00 0.00 H new ATOM 0 HG3 GLU B 21 35.348 12.816 -5.263 1.00 0.00 H new ATOM 973 N ILE B 22 32.221 10.045 -1.968 1.00 0.00 N ATOM 974 CA ILE B 22 31.858 8.792 -1.244 1.00 0.00 C ATOM 975 C ILE B 22 30.455 8.338 -1.645 1.00 0.00 C ATOM 976 O ILE B 22 30.257 7.226 -2.087 1.00 0.00 O ATOM 977 CB ILE B 22 31.903 9.164 0.235 1.00 0.00 C ATOM 978 CG1 ILE B 22 33.307 9.658 0.595 1.00 0.00 C ATOM 979 CG2 ILE B 22 31.548 7.941 1.080 1.00 0.00 C ATOM 980 CD1 ILE B 22 34.316 8.508 0.484 1.00 0.00 C ATOM 0 H ILE B 22 32.279 10.881 -1.387 1.00 0.00 H new ATOM 0 HA ILE B 22 32.533 7.969 -1.476 1.00 0.00 H new ATOM 0 HB ILE B 22 31.183 9.957 0.434 1.00 0.00 H new ATOM 0 HG12 ILE B 22 33.596 10.471 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE B 22 33.311 10.059 1.609 1.00 0.00 H new ATOM 0 HG21 ILE B 22 31.580 8.207 2.137 1.00 0.00 H new ATOM 0 HG22 ILE B 22 30.546 7.599 0.822 1.00 0.00 H new ATOM 0 HG23 ILE B 22 32.265 7.143 0.885 1.00 0.00 H new ATOM 0 HD11 ILE B 22 35.311 8.871 0.742 1.00 0.00 H new ATOM 0 HD12 ILE B 22 34.033 7.708 1.168 1.00 0.00 H new ATOM 0 HD13 ILE B 22 34.322 8.127 -0.537 1.00 0.00 H new ATOM 992 N GLU B 23 29.478 9.186 -1.500 1.00 0.00 N ATOM 993 CA GLU B 23 28.101 8.792 -1.886 1.00 0.00 C ATOM 994 C GLU B 23 28.086 8.392 -3.360 1.00 0.00 C ATOM 995 O GLU B 23 27.345 7.518 -3.769 1.00 0.00 O ATOM 996 CB GLU B 23 27.254 10.036 -1.605 1.00 0.00 C ATOM 997 CG GLU B 23 25.799 9.765 -1.961 1.00 0.00 C ATOM 998 CD GLU B 23 25.402 10.606 -3.176 1.00 0.00 C ATOM 999 OE1 GLU B 23 26.019 10.438 -4.215 1.00 0.00 O ATOM 1000 OE2 GLU B 23 24.487 11.403 -3.047 1.00 0.00 O ATOM 0 H GLU B 23 29.575 10.132 -1.132 1.00 0.00 H new ATOM 0 HA GLU B 23 27.716 7.932 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU B 23 27.335 10.311 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU B 23 27.628 10.880 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU B 23 25.658 8.706 -2.178 1.00 0.00 H new ATOM 0 HG3 GLU B 23 25.156 10.005 -1.114 1.00 0.00 H new ATOM 1007 N GLU B 24 28.933 8.986 -4.157 1.00 0.00 N ATOM 1008 CA GLU B 24 28.989 8.587 -5.588 1.00 0.00 C ATOM 1009 C GLU B 24 29.385 7.113 -5.642 1.00 0.00 C ATOM 1010 O GLU B 24 28.847 6.326 -6.402 1.00 0.00 O ATOM 1011 CB GLU B 24 30.073 9.468 -6.210 1.00 0.00 C ATOM 1012 CG GLU B 24 30.294 9.053 -7.665 1.00 0.00 C ATOM 1013 CD GLU B 24 30.449 10.303 -8.533 1.00 0.00 C ATOM 1014 OE1 GLU B 24 29.504 11.072 -8.603 1.00 0.00 O ATOM 1015 OE2 GLU B 24 31.510 10.471 -9.112 1.00 0.00 O ATOM 0 H GLU B 24 29.582 9.723 -3.881 1.00 0.00 H new ATOM 0 HA GLU B 24 28.044 8.710 -6.117 1.00 0.00 H new ATOM 0 HB2 GLU B 24 29.778 10.516 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU B 24 31.002 9.372 -5.648 1.00 0.00 H new ATOM 0 HG2 GLU B 24 31.184 8.429 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU B 24 29.453 8.455 -8.016 1.00 0.00 H new ATOM 1022 N LEU B 25 30.311 6.735 -4.803 1.00 0.00 N ATOM 1023 CA LEU B 25 30.745 5.313 -4.751 1.00 0.00 C ATOM 1024 C LEU B 25 29.528 4.426 -4.520 1.00 0.00 C ATOM 1025 O LEU B 25 29.252 3.536 -5.287 1.00 0.00 O ATOM 1026 CB LEU B 25 31.684 5.214 -3.548 1.00 0.00 C ATOM 1027 CG LEU B 25 32.351 3.839 -3.535 1.00 0.00 C ATOM 1028 CD1 LEU B 25 33.389 3.750 -4.654 1.00 0.00 C ATOM 1029 CD2 LEU B 25 33.039 3.621 -2.185 1.00 0.00 C ATOM 0 H LEU B 25 30.787 7.355 -4.148 1.00 0.00 H new ATOM 0 HA LEU B 25 31.232 4.997 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU B 25 32.441 5.997 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU B 25 31.127 5.369 -2.624 1.00 0.00 H new ATOM 0 HG LEU B 25 31.592 3.072 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU B 25 33.859 2.767 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU B 25 32.900 3.902 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU B 25 34.149 4.518 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU B 25 33.515 2.641 -2.174 1.00 0.00 H new ATOM 0 HD22 LEU B 25 33.793 4.393 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU B 25 32.299 3.674 -1.387 1.00 0.00 H new ATOM 1041 N HIS B 26 28.799 4.674 -3.459 1.00 0.00 N ATOM 1042 CA HIS B 26 27.587 3.850 -3.158 1.00 0.00 C ATOM 1043 C HIS B 26 26.744 3.646 -4.421 1.00 0.00 C ATOM 1044 O HIS B 26 26.284 2.557 -4.698 1.00 0.00 O ATOM 1045 CB HIS B 26 26.810 4.650 -2.115 1.00 0.00 C ATOM 1046 CG HIS B 26 25.541 3.917 -1.776 1.00 0.00 C ATOM 1047 ND1 HIS B 26 25.529 2.764 -1.005 1.00 0.00 N ATOM 1048 CD2 HIS B 26 24.234 4.160 -2.106 1.00 0.00 C ATOM 1049 CE1 HIS B 26 24.247 2.362 -0.899 1.00 0.00 C ATOM 1050 NE2 HIS B 26 23.418 3.179 -1.553 1.00 0.00 N ATOM 0 H HIS B 26 28.993 5.415 -2.786 1.00 0.00 H new ATOM 0 HA HIS B 26 27.850 2.856 -2.796 1.00 0.00 H new ATOM 0 HB2 HIS B 26 27.415 4.787 -1.219 1.00 0.00 H new ATOM 0 HB3 HIS B 26 26.579 5.644 -2.499 1.00 0.00 H new ATOM 0 HD2 HIS B 26 23.889 4.989 -2.706 1.00 0.00 H new ATOM 0 HE1 HIS B 26 23.929 1.487 -0.352 1.00 0.00 H new ATOM 0 HE2 HIS B 26 22.404 3.101 -1.630 1.00 0.00 H new ATOM 1058 N LYS B 27 26.546 4.676 -5.197 1.00 0.00 N ATOM 1059 CA LYS B 27 25.744 4.511 -6.445 1.00 0.00 C ATOM 1060 C LYS B 27 26.351 3.387 -7.288 1.00 0.00 C ATOM 1061 O LYS B 27 25.667 2.478 -7.726 1.00 0.00 O ATOM 1062 CB LYS B 27 25.852 5.853 -7.171 1.00 0.00 C ATOM 1063 CG LYS B 27 25.257 6.957 -6.293 1.00 0.00 C ATOM 1064 CD LYS B 27 24.342 7.844 -7.139 1.00 0.00 C ATOM 1065 CE LYS B 27 23.824 9.003 -6.286 1.00 0.00 C ATOM 1066 NZ LYS B 27 22.402 8.661 -5.999 1.00 0.00 N ATOM 0 H LYS B 27 26.900 5.617 -5.025 1.00 0.00 H new ATOM 0 HA LYS B 27 24.704 4.249 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS B 27 26.895 6.074 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS B 27 25.324 5.807 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS B 27 24.695 6.518 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS B 27 26.054 7.555 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS B 27 24.886 8.228 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS B 27 23.506 7.260 -7.524 1.00 0.00 H new ATOM 0 HE2 LYS B 27 24.400 9.105 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS B 27 23.903 9.951 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 21.976 9.410 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 21.878 8.577 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 22.359 7.757 -5.487 1.00 0.00 H new ATOM 1080 N LYS B 28 27.637 3.431 -7.505 1.00 0.00 N ATOM 1081 CA LYS B 28 28.285 2.352 -8.301 1.00 0.00 C ATOM 1082 C LYS B 28 28.013 0.998 -7.639 1.00 0.00 C ATOM 1083 O LYS B 28 27.597 0.057 -8.280 1.00 0.00 O ATOM 1084 CB LYS B 28 29.779 2.677 -8.275 1.00 0.00 C ATOM 1085 CG LYS B 28 30.215 3.182 -9.652 1.00 0.00 C ATOM 1086 CD LYS B 28 30.085 4.705 -9.702 1.00 0.00 C ATOM 1087 CE LYS B 28 30.366 5.194 -11.125 1.00 0.00 C ATOM 1088 NZ LYS B 28 29.072 5.030 -11.847 1.00 0.00 N ATOM 0 H LYS B 28 28.263 4.162 -7.168 1.00 0.00 H new ATOM 0 HA LYS B 28 27.907 2.297 -9.322 1.00 0.00 H new ATOM 0 HB2 LYS B 28 29.985 3.433 -7.517 1.00 0.00 H new ATOM 0 HB3 LYS B 28 30.351 1.789 -8.004 1.00 0.00 H new ATOM 0 HG2 LYS B 28 31.246 2.888 -9.849 1.00 0.00 H new ATOM 0 HG3 LYS B 28 29.600 2.728 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS B 28 29.084 5.006 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS B 28 30.785 5.164 -9.003 1.00 0.00 H new ATOM 0 HE2 LYS B 28 30.692 6.234 -11.129 1.00 0.00 H new ATOM 0 HE3 LYS B 28 31.158 4.610 -11.595 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 29.253 4.678 -12.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 28.473 4.350 -11.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 28.586 5.948 -11.900 1.00 0.00 H new ATOM 1102 N PHE B 29 28.235 0.906 -6.352 1.00 0.00 N ATOM 1103 CA PHE B 29 27.987 -0.369 -5.617 1.00 0.00 C ATOM 1104 C PHE B 29 26.600 -0.912 -5.957 1.00 0.00 C ATOM 1105 O PHE B 29 26.404 -2.105 -6.066 1.00 0.00 O ATOM 1106 CB PHE B 29 28.073 0.014 -4.135 1.00 0.00 C ATOM 1107 CG PHE B 29 29.508 0.312 -3.723 1.00 0.00 C ATOM 1108 CD1 PHE B 29 30.589 0.155 -4.634 1.00 0.00 C ATOM 1109 CD2 PHE B 29 29.765 0.747 -2.405 1.00 0.00 C ATOM 1110 CE1 PHE B 29 31.909 0.435 -4.219 1.00 0.00 C ATOM 1111 CE2 PHE B 29 31.086 1.025 -1.993 1.00 0.00 C ATOM 1112 CZ PHE B 29 32.158 0.868 -2.901 1.00 0.00 C ATOM 0 H PHE B 29 28.582 1.671 -5.773 1.00 0.00 H new ATOM 0 HA PHE B 29 28.701 -1.149 -5.879 1.00 0.00 H new ATOM 0 HB2 PHE B 29 27.449 0.888 -3.946 1.00 0.00 H new ATOM 0 HB3 PHE B 29 27.678 -0.798 -3.524 1.00 0.00 H new ATOM 0 HD1 PHE B 29 30.400 -0.179 -5.644 1.00 0.00 H new ATOM 0 HD2 PHE B 29 28.948 0.868 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE B 29 32.729 0.317 -4.912 1.00 0.00 H new ATOM 0 HE2 PHE B 29 31.278 1.358 -0.984 1.00 0.00 H new ATOM 0 HZ PHE B 29 33.169 1.080 -2.585 1.00 0.00 H new ATOM 1122 N HIS B 30 25.639 -0.050 -6.140 1.00 0.00 N ATOM 1123 CA HIS B 30 24.278 -0.536 -6.493 1.00 0.00 C ATOM 1124 C HIS B 30 24.348 -1.225 -7.852 1.00 0.00 C ATOM 1125 O HIS B 30 23.902 -2.342 -8.018 1.00 0.00 O ATOM 1126 CB HIS B 30 23.402 0.716 -6.551 1.00 0.00 C ATOM 1127 CG HIS B 30 22.016 0.340 -6.996 1.00 0.00 C ATOM 1128 ND1 HIS B 30 21.396 -0.877 -7.137 1.00 0.00 N flip ATOM 1129 CD2 HIS B 30 21.076 1.289 -7.366 1.00 0.00 C flip ATOM 1130 CE1 HIS B 30 20.092 -0.689 -7.587 1.00 0.00 C flip ATOM 1131 NE2 HIS B 30 19.951 0.633 -7.709 1.00 0.00 N flip ATOM 0 H HIS B 30 25.736 0.962 -6.061 1.00 0.00 H new ATOM 0 HA HIS B 30 23.877 -1.254 -5.777 1.00 0.00 H new ATOM 0 HB2 HIS B 30 23.364 1.192 -5.571 1.00 0.00 H new ATOM 0 HB3 HIS B 30 23.832 1.442 -7.241 1.00 0.00 H new ATOM 0 HD2 HIS B 30 21.220 2.359 -7.377 1.00 0.00 H new ATOM 0 HE1 HIS B 30 19.353 -1.449 -7.793 1.00 0.00 H new ATOM 0 HE2 HIS B 30 19.095 1.090 -8.024 1.00 0.00 H new ATOM 1139 N GLU B 31 24.946 -0.581 -8.819 1.00 0.00 N ATOM 1140 CA GLU B 31 25.084 -1.221 -10.158 1.00 0.00 C ATOM 1141 C GLU B 31 26.253 -2.223 -10.135 1.00 0.00 C ATOM 1142 O GLU B 31 26.569 -2.848 -11.128 1.00 0.00 O ATOM 1143 CB GLU B 31 25.379 -0.071 -11.121 1.00 0.00 C ATOM 1144 CG GLU B 31 24.614 -0.293 -12.427 1.00 0.00 C ATOM 1145 CD GLU B 31 24.837 0.899 -13.359 1.00 0.00 C ATOM 1146 OE1 GLU B 31 25.984 1.190 -13.654 1.00 0.00 O ATOM 1147 OE2 GLU B 31 23.856 1.502 -13.762 1.00 0.00 O ATOM 0 H GLU B 31 25.343 0.355 -8.740 1.00 0.00 H new ATOM 0 HA GLU B 31 24.191 -1.773 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU B 31 25.086 0.878 -10.672 1.00 0.00 H new ATOM 0 HB3 GLU B 31 26.449 -0.013 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU B 31 24.952 -1.211 -12.907 1.00 0.00 H new ATOM 0 HG3 GLU B 31 23.550 -0.413 -12.222 1.00 0.00 H new ATOM 1154 N LEU B 32 26.892 -2.377 -9.001 1.00 0.00 N ATOM 1155 CA LEU B 32 28.035 -3.324 -8.885 1.00 0.00 C ATOM 1156 C LEU B 32 27.531 -4.698 -8.444 1.00 0.00 C ATOM 1157 O LEU B 32 28.057 -5.721 -8.834 1.00 0.00 O ATOM 1158 CB LEU B 32 28.906 -2.715 -7.778 1.00 0.00 C ATOM 1159 CG LEU B 32 30.367 -3.159 -7.914 1.00 0.00 C ATOM 1160 CD1 LEU B 32 31.209 -2.396 -6.890 1.00 0.00 C ATOM 1161 CD2 LEU B 32 30.495 -4.657 -7.635 1.00 0.00 C ATOM 0 H LEU B 32 26.664 -1.878 -8.141 1.00 0.00 H new ATOM 0 HA LEU B 32 28.570 -3.459 -9.825 1.00 0.00 H new ATOM 0 HB2 LEU B 32 28.848 -1.627 -7.823 1.00 0.00 H new ATOM 0 HB3 LEU B 32 28.521 -3.015 -6.803 1.00 0.00 H new ATOM 0 HG LEU B 32 30.711 -2.953 -8.928 1.00 0.00 H new ATOM 0 HD11 LEU B 32 32.252 -2.702 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU B 32 31.129 -1.325 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU B 32 30.848 -2.616 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU B 32 31.538 -4.958 -7.735 1.00 0.00 H new ATOM 0 HD22 LEU B 32 30.152 -4.869 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU B 32 29.887 -5.213 -8.348 1.00 0.00 H new ATOM 1173 N ILE B 33 26.532 -4.730 -7.602 1.00 0.00 N ATOM 1174 CA ILE B 33 26.029 -6.044 -7.104 1.00 0.00 C ATOM 1175 C ILE B 33 24.543 -6.237 -7.440 1.00 0.00 C ATOM 1176 O ILE B 33 23.934 -7.211 -7.044 1.00 0.00 O ATOM 1177 CB ILE B 33 26.250 -5.989 -5.586 1.00 0.00 C ATOM 1178 CG1 ILE B 33 25.305 -4.944 -4.973 1.00 0.00 C ATOM 1179 CG2 ILE B 33 27.712 -5.612 -5.300 1.00 0.00 C ATOM 1180 CD1 ILE B 33 25.534 -4.834 -3.465 1.00 0.00 C ATOM 0 H ILE B 33 26.046 -3.910 -7.240 1.00 0.00 H new ATOM 0 HA ILE B 33 26.546 -6.884 -7.568 1.00 0.00 H new ATOM 0 HB ILE B 33 26.039 -6.963 -5.144 1.00 0.00 H new ATOM 0 HG12 ILE B 33 25.471 -3.975 -5.444 1.00 0.00 H new ATOM 0 HG13 ILE B 33 24.269 -5.221 -5.170 1.00 0.00 H new ATOM 0 HG21 ILE B 33 27.873 -5.572 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE B 33 28.373 -6.360 -5.738 1.00 0.00 H new ATOM 0 HG23 ILE B 33 27.928 -4.637 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE B 33 24.856 -4.089 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE B 33 25.345 -5.800 -2.997 1.00 0.00 H new ATOM 0 HD13 ILE B 33 26.564 -4.534 -3.274 1.00 0.00 H new