USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 ASN : amide:sc= 0 X(o=0,f=0.41) USER MOD Set 1.2: A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= -0.0941 (180deg=-0.9) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0254) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= -0.0834 (180deg=-0.592) USER MOD Single : A 19 GLN :FLIP amide:sc= -2.92 F(o=-4.5,f=-2.9) USER MOD Single : A 20 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.6) USER MOD Single : A 29 HIS : no HD1:sc= -0.289 K(o=-0.29,f=-1.1) USER MOD Single : A 31 THR OG1 : rot -42:sc= 0.863 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-1.8) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.04 X(o=-2,f=-2.2) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0.309 (180deg=0.237) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0221) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.996 1.685 -1.023 1.00 4.51 N ATOM 2 CA MET A 1 1.606 0.391 -1.304 1.00 32.32 C ATOM 3 C MET A 1 0.833 -0.349 -2.391 1.00 63.32 C ATOM 4 O MET A 1 0.236 -1.396 -2.140 1.00 63.30 O ATOM 5 CB MET A 1 1.659 -0.458 -0.032 1.00 65.43 C ATOM 6 CG MET A 1 2.199 0.290 1.176 1.00 65.33 C ATOM 7 SD MET A 1 2.248 -0.732 2.661 1.00 41.14 S ATOM 8 CE MET A 1 3.761 -0.150 3.423 1.00 61.15 C ATOM 0 H1 MET A 1 1.726 2.350 -0.697 1.00 4.51 H new ATOM 0 H2 MET A 1 0.552 2.055 -1.888 1.00 4.51 H new ATOM 0 H3 MET A 1 0.273 1.575 -0.283 1.00 4.51 H new ATOM 0 HA MET A 1 2.622 0.565 -1.659 1.00 32.32 H new ATOM 0 HB2 MET A 1 0.657 -0.822 0.194 1.00 65.43 H new ATOM 0 HB3 MET A 1 2.282 -1.334 -0.215 1.00 65.43 H new ATOM 0 HG2 MET A 1 3.203 0.652 0.955 1.00 65.33 H new ATOM 0 HG3 MET A 1 1.578 1.166 1.363 1.00 65.33 H new ATOM 0 HE1 MET A 1 3.930 -0.689 4.355 1.00 61.15 H new ATOM 0 HE2 MET A 1 4.599 -0.323 2.747 1.00 61.15 H new ATOM 0 HE3 MET A 1 3.677 0.917 3.631 1.00 61.15 H new ATOM 18 N LYS A 2 0.848 0.201 -3.600 1.00 44.44 N ATOM 19 CA LYS A 2 0.150 -0.406 -4.727 1.00 64.31 C ATOM 20 C LYS A 2 1.075 -0.536 -5.934 1.00 34.34 C ATOM 21 O LYS A 2 2.050 0.203 -6.064 1.00 42.32 O ATOM 22 CB LYS A 2 -1.079 0.425 -5.100 1.00 40.14 C ATOM 23 CG LYS A 2 -2.162 0.421 -4.036 1.00 11.14 C ATOM 24 CD LYS A 2 -2.648 -0.988 -3.740 1.00 12.11 C ATOM 25 CE LYS A 2 -4.058 -0.983 -3.168 1.00 44.21 C ATOM 26 NZ LYS A 2 -4.136 -0.218 -1.893 1.00 11.41 N ATOM 0 H LYS A 2 1.337 1.068 -3.825 1.00 44.44 H new ATOM 0 HA LYS A 2 -0.171 -1.404 -4.428 1.00 64.31 H new ATOM 0 HB2 LYS A 2 -0.769 1.453 -5.287 1.00 40.14 H new ATOM 0 HB3 LYS A 2 -1.496 0.043 -6.032 1.00 40.14 H new ATOM 0 HG2 LYS A 2 -1.777 0.874 -3.122 1.00 11.14 H new ATOM 0 HG3 LYS A 2 -3.000 1.034 -4.367 1.00 11.14 H new ATOM 0 HD2 LYS A 2 -2.627 -1.581 -4.655 1.00 12.11 H new ATOM 0 HD3 LYS A 2 -1.970 -1.467 -3.034 1.00 12.11 H new ATOM 0 HE2 LYS A 2 -4.743 -0.548 -3.895 1.00 44.21 H new ATOM 0 HE3 LYS A 2 -4.384 -2.009 -2.997 1.00 44.21 H new ATOM 0 HZ1 LYS A 2 -5.081 -0.336 -1.474 1.00 11.41 H new ATOM 0 HZ2 LYS A 2 -3.417 -0.573 -1.231 1.00 11.41 H new ATOM 0 HZ3 LYS A 2 -3.965 0.790 -2.082 1.00 11.41 H new ATOM 40 N LYS A 3 0.761 -1.480 -6.814 1.00 72.35 N ATOM 41 CA LYS A 3 1.561 -1.706 -8.012 1.00 71.03 C ATOM 42 C LYS A 3 0.678 -1.750 -9.256 1.00 24.23 C ATOM 43 O LYS A 3 -0.393 -2.356 -9.247 1.00 45.34 O ATOM 44 CB LYS A 3 2.348 -3.012 -7.886 1.00 62.31 C ATOM 45 CG LYS A 3 2.992 -3.205 -6.524 1.00 31.20 C ATOM 46 CD LYS A 3 4.134 -4.206 -6.584 1.00 33.15 C ATOM 47 CE LYS A 3 4.188 -5.065 -5.329 1.00 42.42 C ATOM 48 NZ LYS A 3 5.403 -5.926 -5.299 1.00 75.22 N ATOM 0 H LYS A 3 -0.042 -2.101 -6.720 1.00 72.35 H new ATOM 0 HA LYS A 3 2.260 -0.876 -8.113 1.00 71.03 H new ATOM 0 HB2 LYS A 3 1.680 -3.850 -8.085 1.00 62.31 H new ATOM 0 HB3 LYS A 3 3.123 -3.034 -8.652 1.00 62.31 H new ATOM 0 HG2 LYS A 3 3.364 -2.248 -6.158 1.00 31.20 H new ATOM 0 HG3 LYS A 3 2.242 -3.549 -5.811 1.00 31.20 H new ATOM 0 HD2 LYS A 3 4.014 -4.845 -7.459 1.00 33.15 H new ATOM 0 HD3 LYS A 3 5.079 -3.675 -6.704 1.00 33.15 H new ATOM 0 HE2 LYS A 3 4.176 -4.423 -4.448 1.00 42.42 H new ATOM 0 HE3 LYS A 3 3.297 -5.691 -5.279 1.00 42.42 H new ATOM 0 HZ1 LYS A 3 5.403 -6.496 -4.429 1.00 75.22 H new ATOM 0 HZ2 LYS A 3 5.402 -6.557 -6.126 1.00 75.22 H new ATOM 0 HZ3 LYS A 3 6.253 -5.327 -5.321 1.00 75.22 H new ATOM 62 N GLY A 4 1.136 -1.105 -10.325 1.00 24.45 N ATOM 63 CA GLY A 4 0.377 -1.085 -11.561 1.00 34.03 C ATOM 64 C GLY A 4 1.148 -0.458 -12.705 1.00 61.42 C ATOM 65 O GLY A 4 2.224 0.107 -12.504 1.00 34.30 O ATOM 0 H GLY A 4 2.019 -0.596 -10.356 1.00 24.45 H new ATOM 0 HA2 GLY A 4 0.099 -2.104 -11.830 1.00 34.03 H new ATOM 0 HA3 GLY A 4 -0.550 -0.533 -11.406 1.00 34.03 H new ATOM 69 N THR A 5 0.599 -0.559 -13.912 1.00 65.11 N ATOM 70 CA THR A 5 1.244 -0.001 -15.094 1.00 2.53 C ATOM 71 C THR A 5 0.826 1.449 -15.315 1.00 22.42 C ATOM 72 O THR A 5 -0.342 1.801 -15.149 1.00 22.32 O ATOM 73 CB THR A 5 0.909 -0.818 -16.356 1.00 3.23 C ATOM 74 OG1 THR A 5 -0.508 -0.842 -16.562 1.00 24.54 O ATOM 75 CG2 THR A 5 1.434 -2.240 -16.234 1.00 60.42 C ATOM 0 H THR A 5 -0.291 -1.022 -14.096 1.00 65.11 H new ATOM 0 HA THR A 5 2.319 -0.044 -14.918 1.00 2.53 H new ATOM 0 HB THR A 5 1.391 -0.342 -17.210 1.00 3.23 H new ATOM 0 HG1 THR A 5 -0.713 -1.362 -17.367 1.00 24.54 H new ATOM 0 HG21 THR A 5 1.186 -2.798 -17.137 1.00 60.42 H new ATOM 0 HG22 THR A 5 2.516 -2.219 -16.107 1.00 60.42 H new ATOM 0 HG23 THR A 5 0.977 -2.724 -15.371 1.00 60.42 H new ATOM 83 N VAL A 6 1.787 2.286 -15.691 1.00 43.22 N ATOM 84 CA VAL A 6 1.518 3.698 -15.937 1.00 62.11 C ATOM 85 C VAL A 6 0.827 3.900 -17.281 1.00 31.42 C ATOM 86 O VAL A 6 1.099 3.184 -18.245 1.00 53.33 O ATOM 87 CB VAL A 6 2.814 4.530 -15.909 1.00 63.40 C ATOM 88 CG1 VAL A 6 3.377 4.689 -17.313 1.00 64.30 C ATOM 89 CG2 VAL A 6 2.562 5.887 -15.270 1.00 23.32 C ATOM 0 H VAL A 6 2.759 2.011 -15.832 1.00 43.22 H new ATOM 0 HA VAL A 6 0.859 4.038 -15.138 1.00 62.11 H new ATOM 0 HB VAL A 6 3.552 4.001 -15.305 1.00 63.40 H new ATOM 0 HG11 VAL A 6 4.292 5.280 -17.273 1.00 64.30 H new ATOM 0 HG12 VAL A 6 3.597 3.706 -17.730 1.00 64.30 H new ATOM 0 HG13 VAL A 6 2.646 5.195 -17.943 1.00 64.30 H new ATOM 0 HG21 VAL A 6 3.488 6.461 -15.259 1.00 23.32 H new ATOM 0 HG22 VAL A 6 1.808 6.425 -15.845 1.00 23.32 H new ATOM 0 HG23 VAL A 6 2.209 5.748 -14.248 1.00 23.32 H new ATOM 99 N LYS A 7 -0.069 4.879 -17.338 1.00 2.32 N ATOM 100 CA LYS A 7 -0.799 5.178 -18.564 1.00 15.33 C ATOM 101 C LYS A 7 -0.200 6.388 -19.273 1.00 41.31 C ATOM 102 O LYS A 7 -0.292 6.512 -20.494 1.00 60.24 O ATOM 103 CB LYS A 7 -2.275 5.436 -18.252 1.00 74.02 C ATOM 104 CG LYS A 7 -3.156 5.497 -19.488 1.00 53.11 C ATOM 105 CD LYS A 7 -4.620 5.672 -19.121 1.00 75.32 C ATOM 106 CE LYS A 7 -5.309 6.671 -20.038 1.00 13.23 C ATOM 107 NZ LYS A 7 -6.020 5.997 -21.159 1.00 61.04 N ATOM 0 H LYS A 7 -0.307 5.479 -16.549 1.00 2.32 H new ATOM 0 HA LYS A 7 -0.718 4.315 -19.225 1.00 15.33 H new ATOM 0 HB2 LYS A 7 -2.642 4.649 -17.593 1.00 74.02 H new ATOM 0 HB3 LYS A 7 -2.364 6.375 -17.706 1.00 74.02 H new ATOM 0 HG2 LYS A 7 -2.838 6.324 -20.122 1.00 53.11 H new ATOM 0 HG3 LYS A 7 -3.032 4.583 -20.070 1.00 53.11 H new ATOM 0 HD2 LYS A 7 -5.129 4.710 -19.182 1.00 75.32 H new ATOM 0 HD3 LYS A 7 -4.699 6.010 -18.088 1.00 75.32 H new ATOM 0 HE2 LYS A 7 -6.020 7.263 -19.461 1.00 13.23 H new ATOM 0 HE3 LYS A 7 -4.570 7.364 -20.441 1.00 13.23 H new ATOM 0 HZ1 LYS A 7 -6.476 6.712 -21.761 1.00 61.04 H new ATOM 0 HZ2 LYS A 7 -5.338 5.452 -21.725 1.00 61.04 H new ATOM 0 HZ3 LYS A 7 -6.743 5.355 -20.776 1.00 61.04 H new ATOM 121 N TRP A 8 0.414 7.277 -18.500 1.00 63.44 N ATOM 122 CA TRP A 8 1.030 8.476 -19.056 1.00 44.31 C ATOM 123 C TRP A 8 1.747 9.272 -17.971 1.00 44.43 C ATOM 124 O TRP A 8 1.258 9.390 -16.848 1.00 33.02 O ATOM 125 CB TRP A 8 -0.027 9.350 -19.733 1.00 44.31 C ATOM 126 CG TRP A 8 -0.793 10.207 -18.772 1.00 12.42 C ATOM 127 CD1 TRP A 8 -0.417 11.424 -18.279 1.00 2.04 C ATOM 128 CD2 TRP A 8 -2.066 9.911 -18.187 1.00 2.24 C ATOM 129 NE1 TRP A 8 -1.379 11.902 -17.422 1.00 1.01 N ATOM 130 CE2 TRP A 8 -2.401 10.993 -17.349 1.00 51.10 C ATOM 131 CE3 TRP A 8 -2.956 8.839 -18.290 1.00 63.20 C ATOM 132 CZ2 TRP A 8 -3.587 11.030 -16.620 1.00 41.22 C ATOM 133 CZ3 TRP A 8 -4.132 8.877 -17.566 1.00 20.02 C ATOM 134 CH2 TRP A 8 -4.440 9.967 -16.740 1.00 65.34 C ATOM 0 H TRP A 8 0.498 7.190 -17.487 1.00 63.44 H new ATOM 0 HA TRP A 8 1.765 8.166 -19.799 1.00 44.31 H new ATOM 0 HB2 TRP A 8 0.458 9.989 -20.471 1.00 44.31 H new ATOM 0 HB3 TRP A 8 -0.724 8.711 -20.274 1.00 44.31 H new ATOM 0 HD1 TRP A 8 0.501 11.936 -18.526 1.00 2.04 H new ATOM 0 HE1 TRP A 8 -1.339 12.790 -16.921 1.00 1.01 H new ATOM 0 HE3 TRP A 8 -2.729 7.995 -18.925 1.00 63.20 H new ATOM 0 HZ2 TRP A 8 -3.825 11.868 -15.982 1.00 41.22 H new ATOM 0 HZ3 TRP A 8 -4.826 8.053 -17.638 1.00 20.02 H new ATOM 0 HH2 TRP A 8 -5.368 9.968 -16.188 1.00 65.34 H new ATOM 145 N PHE A 9 2.910 9.818 -18.314 1.00 73.12 N ATOM 146 CA PHE A 9 3.694 10.603 -17.368 1.00 64.34 C ATOM 147 C PHE A 9 4.224 11.874 -18.025 1.00 3.33 C ATOM 148 O PHE A 9 5.228 11.847 -18.735 1.00 63.40 O ATOM 149 CB PHE A 9 4.859 9.772 -16.826 1.00 62.32 C ATOM 150 CG PHE A 9 5.654 10.475 -15.764 1.00 45.51 C ATOM 151 CD1 PHE A 9 6.652 11.374 -16.108 1.00 15.12 C ATOM 152 CD2 PHE A 9 5.405 10.238 -14.422 1.00 23.01 C ATOM 153 CE1 PHE A 9 7.385 12.024 -15.133 1.00 20.21 C ATOM 154 CE2 PHE A 9 6.135 10.885 -13.443 1.00 22.12 C ATOM 155 CZ PHE A 9 7.127 11.778 -13.799 1.00 21.14 C ATOM 0 H PHE A 9 3.330 9.731 -19.240 1.00 73.12 H new ATOM 0 HA PHE A 9 3.043 10.886 -16.541 1.00 64.34 H new ATOM 0 HB2 PHE A 9 4.470 8.838 -16.419 1.00 62.32 H new ATOM 0 HB3 PHE A 9 5.522 9.509 -17.650 1.00 62.32 H new ATOM 0 HD1 PHE A 9 6.859 11.569 -17.150 1.00 15.12 H new ATOM 0 HD2 PHE A 9 4.632 9.540 -14.138 1.00 23.01 H new ATOM 0 HE1 PHE A 9 8.158 12.723 -15.414 1.00 20.21 H new ATOM 0 HE2 PHE A 9 5.930 10.693 -12.400 1.00 22.12 H new ATOM 0 HZ PHE A 9 7.700 12.283 -13.035 1.00 21.14 H new ATOM 165 N ASN A 10 3.541 12.988 -17.781 1.00 73.22 N ATOM 166 CA ASN A 10 3.941 14.270 -18.349 1.00 1.10 C ATOM 167 C ASN A 10 5.264 14.740 -17.752 1.00 61.00 C ATOM 168 O ASN A 10 5.363 14.981 -16.549 1.00 42.24 O ATOM 169 CB ASN A 10 2.856 15.321 -18.104 1.00 63.10 C ATOM 170 CG ASN A 10 1.985 15.548 -19.324 1.00 61.14 C ATOM 171 OD1 ASN A 10 1.637 14.606 -20.036 1.00 74.30 O ATOM 172 ND2 ASN A 10 1.629 16.803 -19.572 1.00 4.11 N ATOM 0 H ASN A 10 2.708 13.029 -17.194 1.00 73.22 H new ATOM 0 HA ASN A 10 4.074 14.138 -19.423 1.00 1.10 H new ATOM 0 HB2 ASN A 10 2.231 15.006 -17.268 1.00 63.10 H new ATOM 0 HB3 ASN A 10 3.324 16.262 -17.815 1.00 63.10 H new ATOM 0 HD21 ASN A 10 1.044 17.017 -20.380 1.00 4.11 H new ATOM 0 HD22 ASN A 10 1.941 17.553 -18.955 1.00 4.11 H new ATOM 179 N ALA A 11 6.278 14.868 -18.602 1.00 10.24 N ATOM 180 CA ALA A 11 7.594 15.312 -18.159 1.00 61.31 C ATOM 181 C ALA A 11 7.747 16.821 -18.318 1.00 61.53 C ATOM 182 O ALA A 11 8.563 17.445 -17.641 1.00 41.04 O ATOM 183 CB ALA A 11 8.684 14.584 -18.933 1.00 12.24 C ATOM 0 H ALA A 11 6.213 14.671 -19.601 1.00 10.24 H new ATOM 0 HA ALA A 11 7.694 15.073 -17.100 1.00 61.31 H new ATOM 0 HB1 ALA A 11 9.662 14.925 -18.592 1.00 12.24 H new ATOM 0 HB2 ALA A 11 8.595 13.511 -18.765 1.00 12.24 H new ATOM 0 HB3 ALA A 11 8.577 14.794 -19.997 1.00 12.24 H new ATOM 189 N GLU A 12 6.958 17.399 -19.218 1.00 15.33 N ATOM 190 CA GLU A 12 7.008 18.835 -19.466 1.00 12.32 C ATOM 191 C GLU A 12 6.681 19.618 -18.198 1.00 14.35 C ATOM 192 O GLU A 12 7.191 20.718 -17.984 1.00 10.22 O ATOM 193 CB GLU A 12 6.031 19.217 -20.580 1.00 44.23 C ATOM 194 CG GLU A 12 6.491 18.792 -21.965 1.00 5.24 C ATOM 195 CD GLU A 12 7.565 19.703 -22.528 1.00 21.12 C ATOM 196 OE1 GLU A 12 7.567 20.903 -22.182 1.00 63.24 O ATOM 197 OE2 GLU A 12 8.404 19.215 -23.314 1.00 73.32 O ATOM 0 H GLU A 12 6.277 16.896 -19.787 1.00 15.33 H new ATOM 0 HA GLU A 12 8.021 19.089 -19.778 1.00 12.32 H new ATOM 0 HB2 GLU A 12 5.062 18.763 -20.373 1.00 44.23 H new ATOM 0 HB3 GLU A 12 5.886 20.297 -20.570 1.00 44.23 H new ATOM 0 HG2 GLU A 12 6.872 17.772 -21.920 1.00 5.24 H new ATOM 0 HG3 GLU A 12 5.636 18.783 -22.641 1.00 5.24 H new ATOM 204 N LYS A 13 5.825 19.044 -17.359 1.00 21.22 N ATOM 205 CA LYS A 13 5.429 19.685 -16.111 1.00 14.31 C ATOM 206 C LYS A 13 6.055 18.978 -14.913 1.00 14.51 C ATOM 207 O LYS A 13 6.388 19.611 -13.911 1.00 75.54 O ATOM 208 CB LYS A 13 3.904 19.687 -15.976 1.00 61.13 C ATOM 209 CG LYS A 13 3.216 20.709 -16.865 1.00 21.50 C ATOM 210 CD LYS A 13 1.807 21.008 -16.382 1.00 51.42 C ATOM 211 CE LYS A 13 1.312 22.348 -16.905 1.00 51.20 C ATOM 212 NZ LYS A 13 2.106 23.484 -16.360 1.00 32.14 N ATOM 0 H LYS A 13 5.392 18.135 -17.521 1.00 21.22 H new ATOM 0 HA LYS A 13 5.787 20.714 -16.131 1.00 14.31 H new ATOM 0 HB2 LYS A 13 3.525 18.694 -16.218 1.00 61.13 H new ATOM 0 HB3 LYS A 13 3.640 19.885 -14.937 1.00 61.13 H new ATOM 0 HG2 LYS A 13 3.799 21.630 -16.881 1.00 21.50 H new ATOM 0 HG3 LYS A 13 3.179 20.336 -17.889 1.00 21.50 H new ATOM 0 HD2 LYS A 13 1.133 20.217 -16.710 1.00 51.42 H new ATOM 0 HD3 LYS A 13 1.788 21.012 -15.292 1.00 51.42 H new ATOM 0 HE2 LYS A 13 1.367 22.356 -17.994 1.00 51.20 H new ATOM 0 HE3 LYS A 13 0.263 22.477 -16.638 1.00 51.20 H new ATOM 0 HZ1 LYS A 13 1.528 24.349 -16.372 1.00 32.14 H new ATOM 0 HZ2 LYS A 13 2.390 23.271 -15.383 1.00 32.14 H new ATOM 0 HZ3 LYS A 13 2.954 23.626 -16.944 1.00 32.14 H new ATOM 226 N GLY A 14 6.213 17.663 -15.024 1.00 22.11 N ATOM 227 CA GLY A 14 6.800 16.893 -13.943 1.00 62.31 C ATOM 228 C GLY A 14 5.760 16.148 -13.130 1.00 71.13 C ATOM 229 O GLY A 14 5.850 16.082 -11.904 1.00 43.41 O ATOM 0 H GLY A 14 5.945 17.117 -15.843 1.00 22.11 H new ATOM 0 HA2 GLY A 14 7.514 16.180 -14.355 1.00 62.31 H new ATOM 0 HA3 GLY A 14 7.359 17.561 -13.287 1.00 62.31 H new ATOM 233 N TYR A 15 4.769 15.587 -13.813 1.00 74.34 N ATOM 234 CA TYR A 15 3.704 14.846 -13.146 1.00 40.45 C ATOM 235 C TYR A 15 3.286 13.632 -13.970 1.00 40.33 C ATOM 236 O TYR A 15 3.745 13.443 -15.096 1.00 3.41 O ATOM 237 CB TYR A 15 2.496 15.754 -12.906 1.00 64.11 C ATOM 238 CG TYR A 15 1.678 16.014 -14.150 1.00 54.43 C ATOM 239 CD1 TYR A 15 0.664 15.145 -14.534 1.00 11.25 C ATOM 240 CD2 TYR A 15 1.917 17.131 -14.942 1.00 64.11 C ATOM 241 CE1 TYR A 15 -0.086 15.379 -15.670 1.00 0.02 C ATOM 242 CE2 TYR A 15 1.171 17.374 -16.079 1.00 65.53 C ATOM 243 CZ TYR A 15 0.171 16.495 -16.439 1.00 64.52 C ATOM 244 OH TYR A 15 -0.574 16.732 -17.571 1.00 73.21 O ATOM 0 H TYR A 15 4.680 15.631 -14.828 1.00 74.34 H new ATOM 0 HA TYR A 15 4.085 14.497 -12.186 1.00 40.45 H new ATOM 0 HB2 TYR A 15 1.856 15.301 -12.149 1.00 64.11 H new ATOM 0 HB3 TYR A 15 2.842 16.706 -12.503 1.00 64.11 H new ATOM 0 HD1 TYR A 15 0.459 14.271 -13.934 1.00 11.25 H new ATOM 0 HD2 TYR A 15 2.700 17.821 -14.664 1.00 64.11 H new ATOM 0 HE1 TYR A 15 -0.869 14.692 -15.955 1.00 0.02 H new ATOM 0 HE2 TYR A 15 1.370 18.247 -16.683 1.00 65.53 H new ATOM 0 HH TYR A 15 -0.267 17.559 -17.998 1.00 73.21 H new ATOM 254 N GLY A 16 2.410 12.811 -13.400 1.00 13.15 N ATOM 255 CA GLY A 16 1.943 11.625 -14.094 1.00 11.40 C ATOM 256 C GLY A 16 0.863 10.891 -13.325 1.00 74.22 C ATOM 257 O GLY A 16 0.539 11.254 -12.194 1.00 41.12 O ATOM 0 H GLY A 16 2.015 12.946 -12.469 1.00 13.15 H new ATOM 0 HA2 GLY A 16 1.558 11.909 -15.073 1.00 11.40 H new ATOM 0 HA3 GLY A 16 2.784 10.953 -14.265 1.00 11.40 H new ATOM 261 N PHE A 17 0.301 9.855 -13.940 1.00 42.12 N ATOM 262 CA PHE A 17 -0.751 9.069 -13.307 1.00 54.03 C ATOM 263 C PHE A 17 -0.576 7.583 -13.608 1.00 11.31 C ATOM 264 O PHE A 17 -0.468 7.182 -14.767 1.00 54.42 O ATOM 265 CB PHE A 17 -2.126 9.539 -13.787 1.00 14.04 C ATOM 266 CG PHE A 17 -2.757 10.563 -12.887 1.00 11.12 C ATOM 267 CD1 PHE A 17 -2.234 11.843 -12.798 1.00 62.11 C ATOM 268 CD2 PHE A 17 -3.873 10.246 -12.129 1.00 60.53 C ATOM 269 CE1 PHE A 17 -2.812 12.788 -11.971 1.00 61.23 C ATOM 270 CE2 PHE A 17 -4.456 11.186 -11.301 1.00 44.32 C ATOM 271 CZ PHE A 17 -3.924 12.459 -11.221 1.00 62.52 C ATOM 0 H PHE A 17 0.557 9.541 -14.876 1.00 42.12 H new ATOM 0 HA PHE A 17 -0.680 9.214 -12.229 1.00 54.03 H new ATOM 0 HB2 PHE A 17 -2.029 9.958 -14.789 1.00 14.04 H new ATOM 0 HB3 PHE A 17 -2.789 8.677 -13.865 1.00 14.04 H new ATOM 0 HD1 PHE A 17 -1.364 12.106 -13.382 1.00 62.11 H new ATOM 0 HD2 PHE A 17 -4.292 9.252 -12.186 1.00 60.53 H new ATOM 0 HE1 PHE A 17 -2.395 13.782 -11.911 1.00 61.23 H new ATOM 0 HE2 PHE A 17 -5.327 10.926 -10.717 1.00 44.32 H new ATOM 0 HZ PHE A 17 -4.377 13.195 -10.573 1.00 62.52 H new ATOM 281 N ILE A 18 -0.548 6.772 -12.556 1.00 2.43 N ATOM 282 CA ILE A 18 -0.386 5.332 -12.706 1.00 71.45 C ATOM 283 C ILE A 18 -1.731 4.617 -12.633 1.00 30.22 C ATOM 284 O ILE A 18 -2.661 5.090 -11.980 1.00 40.14 O ATOM 285 CB ILE A 18 0.549 4.754 -11.628 1.00 3.22 C ATOM 286 CG1 ILE A 18 1.898 5.476 -11.652 1.00 1.12 C ATOM 287 CG2 ILE A 18 0.739 3.259 -11.836 1.00 52.12 C ATOM 288 CD1 ILE A 18 2.634 5.427 -10.331 1.00 34.41 C ATOM 0 H ILE A 18 -0.635 7.088 -11.590 1.00 2.43 H new ATOM 0 HA ILE A 18 0.059 5.166 -13.687 1.00 71.45 H new ATOM 0 HB ILE A 18 0.092 4.909 -10.651 1.00 3.22 H new ATOM 0 HG12 ILE A 18 2.525 5.031 -12.425 1.00 1.12 H new ATOM 0 HG13 ILE A 18 1.738 6.517 -11.931 1.00 1.12 H new ATOM 0 HG21 ILE A 18 1.403 2.866 -11.066 1.00 52.12 H new ATOM 0 HG22 ILE A 18 -0.227 2.757 -11.774 1.00 52.12 H new ATOM 0 HG23 ILE A 18 1.178 3.081 -12.818 1.00 52.12 H new ATOM 0 HD11 ILE A 18 3.581 5.959 -10.422 1.00 34.41 H new ATOM 0 HD12 ILE A 18 2.026 5.898 -9.558 1.00 34.41 H new ATOM 0 HD13 ILE A 18 2.825 4.389 -10.059 1.00 34.41 H new ATOM 300 N GLN A 19 -1.825 3.474 -13.305 1.00 31.13 N ATOM 301 CA GLN A 19 -3.056 2.693 -13.314 1.00 74.00 C ATOM 302 C GLN A 19 -2.786 1.245 -12.919 1.00 63.12 C ATOM 303 O GLN A 19 -1.856 0.618 -13.425 1.00 63.14 O ATOM 304 CB GLN A 19 -3.707 2.744 -14.698 1.00 21.34 C ATOM 305 CG GLN A 19 -3.709 4.131 -15.318 1.00 40.33 C ATOM 306 CD GLN A 19 -4.143 5.207 -14.342 1.00 72.31 C ATOM 307 OE1 GLN A 19 -3.410 6.314 -14.316 1.00 25.51 O flip ATOM 308 NE2 GLN A 19 -5.127 5.045 -13.619 1.00 34.20 N flip ATOM 0 H GLN A 19 -1.064 3.069 -13.850 1.00 31.13 H new ATOM 0 HA GLN A 19 -3.738 3.128 -12.583 1.00 74.00 H new ATOM 0 HB2 GLN A 19 -3.182 2.059 -15.363 1.00 21.34 H new ATOM 0 HB3 GLN A 19 -4.734 2.388 -14.620 1.00 21.34 H new ATOM 0 HG2 GLN A 19 -2.709 4.362 -15.686 1.00 40.33 H new ATOM 0 HG3 GLN A 19 -4.375 4.138 -16.180 1.00 40.33 H new ATOM 0 HE21 GLN A 19 -5.662 4.178 -13.672 1.00 34.20 H new ATOM 0 HE22 GLN A 19 -5.407 5.778 -12.967 1.00 34.20 H new ATOM 317 N GLN A 20 -3.604 0.721 -12.012 1.00 51.13 N ATOM 318 CA GLN A 20 -3.451 -0.653 -11.549 1.00 73.02 C ATOM 319 C GLN A 20 -4.408 -1.585 -12.285 1.00 60.14 C ATOM 320 O GLN A 20 -4.970 -1.223 -13.318 1.00 44.35 O ATOM 321 CB GLN A 20 -3.698 -0.736 -10.042 1.00 34.00 C ATOM 322 CG GLN A 20 -2.962 0.329 -9.245 1.00 53.02 C ATOM 323 CD GLN A 20 -3.380 0.361 -7.788 1.00 62.52 C ATOM 324 OE1 GLN A 20 -3.610 1.428 -7.219 1.00 41.13 O ATOM 325 NE2 GLN A 20 -3.480 -0.813 -7.175 1.00 70.23 N ATOM 0 H GLN A 20 -4.379 1.227 -11.583 1.00 51.13 H new ATOM 0 HA GLN A 20 -2.430 -0.970 -11.761 1.00 73.02 H new ATOM 0 HB2 GLN A 20 -4.768 -0.646 -9.852 1.00 34.00 H new ATOM 0 HB3 GLN A 20 -3.393 -1.720 -9.686 1.00 34.00 H new ATOM 0 HG2 GLN A 20 -1.889 0.147 -9.307 1.00 53.02 H new ATOM 0 HG3 GLN A 20 -3.146 1.305 -9.693 1.00 53.02 H new ATOM 0 HE21 GLN A 20 -3.280 -1.673 -7.685 1.00 70.23 H new ATOM 0 HE22 GLN A 20 -3.757 -0.854 -6.194 1.00 70.23 H new ATOM 334 N GLU A 21 -4.588 -2.787 -11.746 1.00 42.12 N ATOM 335 CA GLU A 21 -5.476 -3.771 -12.354 1.00 10.23 C ATOM 336 C GLU A 21 -6.829 -3.149 -12.689 1.00 64.02 C ATOM 337 O GLU A 21 -7.482 -3.544 -13.654 1.00 33.42 O ATOM 338 CB GLU A 21 -5.670 -4.964 -11.416 1.00 5.04 C ATOM 339 CG GLU A 21 -4.376 -5.680 -11.067 1.00 24.14 C ATOM 340 CD GLU A 21 -4.495 -6.522 -9.811 1.00 1.41 C ATOM 341 OE1 GLU A 21 -5.493 -6.355 -9.079 1.00 21.15 O ATOM 342 OE2 GLU A 21 -3.591 -7.346 -9.560 1.00 51.13 O ATOM 0 H GLU A 21 -4.131 -3.102 -10.890 1.00 42.12 H new ATOM 0 HA GLU A 21 -5.015 -4.116 -13.279 1.00 10.23 H new ATOM 0 HB2 GLU A 21 -6.144 -4.620 -10.497 1.00 5.04 H new ATOM 0 HB3 GLU A 21 -6.354 -5.674 -11.881 1.00 5.04 H new ATOM 0 HG2 GLU A 21 -4.082 -6.318 -11.901 1.00 24.14 H new ATOM 0 HG3 GLU A 21 -3.583 -4.944 -10.933 1.00 24.14 H new ATOM 349 N GLU A 22 -7.241 -2.174 -11.885 1.00 20.10 N ATOM 350 CA GLU A 22 -8.516 -1.499 -12.096 1.00 10.22 C ATOM 351 C GLU A 22 -8.302 -0.095 -12.654 1.00 13.31 C ATOM 352 O GLU A 22 -9.168 0.452 -13.336 1.00 2.52 O ATOM 353 CB GLU A 22 -9.302 -1.424 -10.785 1.00 61.31 C ATOM 354 CG GLU A 22 -9.411 -2.758 -10.065 1.00 15.55 C ATOM 355 CD GLU A 22 -10.518 -2.771 -9.028 1.00 21.14 C ATOM 356 OE1 GLU A 22 -10.920 -1.678 -8.576 1.00 75.34 O ATOM 357 OE2 GLU A 22 -10.981 -3.873 -8.667 1.00 63.34 O ATOM 0 H GLU A 22 -6.711 -1.834 -11.082 1.00 20.10 H new ATOM 0 HA GLU A 22 -9.088 -2.077 -12.822 1.00 10.22 H new ATOM 0 HB2 GLU A 22 -8.822 -0.702 -10.124 1.00 61.31 H new ATOM 0 HB3 GLU A 22 -10.304 -1.050 -10.993 1.00 61.31 H new ATOM 0 HG2 GLU A 22 -9.592 -3.547 -10.795 1.00 15.55 H new ATOM 0 HG3 GLU A 22 -8.461 -2.984 -9.580 1.00 15.55 H new ATOM 364 N GLY A 23 -7.142 0.483 -12.358 1.00 41.30 N ATOM 365 CA GLY A 23 -6.835 1.818 -12.837 1.00 2.42 C ATOM 366 C GLY A 23 -7.672 2.885 -12.158 1.00 64.51 C ATOM 367 O GLY A 23 -8.512 3.534 -12.781 1.00 0.14 O ATOM 0 H GLY A 23 -6.409 0.051 -11.795 1.00 41.30 H new ATOM 0 HA2 GLY A 23 -5.779 2.027 -12.668 1.00 2.42 H new ATOM 0 HA3 GLY A 23 -7.000 1.861 -13.914 1.00 2.42 H new ATOM 371 N PRO A 24 -7.446 3.076 -10.850 1.00 22.22 N ATOM 372 CA PRO A 24 -8.176 4.069 -10.057 1.00 55.13 C ATOM 373 C PRO A 24 -7.801 5.499 -10.431 1.00 71.02 C ATOM 374 O PRO A 24 -8.409 6.099 -11.318 1.00 63.43 O ATOM 375 CB PRO A 24 -7.747 3.762 -8.620 1.00 73.14 C ATOM 376 CG PRO A 24 -6.415 3.110 -8.754 1.00 65.14 C ATOM 377 CD PRO A 24 -6.459 2.337 -10.044 1.00 12.33 C ATOM 0 HA PRO A 24 -9.252 4.006 -10.217 1.00 55.13 H new ATOM 0 HB2 PRO A 24 -7.684 4.672 -8.023 1.00 73.14 H new ATOM 0 HB3 PRO A 24 -8.462 3.104 -8.125 1.00 73.14 H new ATOM 0 HG2 PRO A 24 -5.617 3.853 -8.771 1.00 65.14 H new ATOM 0 HG3 PRO A 24 -6.217 2.449 -7.910 1.00 65.14 H new ATOM 0 HD2 PRO A 24 -5.483 2.309 -10.529 1.00 12.33 H new ATOM 0 HD3 PRO A 24 -6.765 1.303 -9.883 1.00 12.33 H new ATOM 385 N ASP A 25 -6.797 6.039 -9.750 1.00 1.42 N ATOM 386 CA ASP A 25 -6.339 7.399 -10.012 1.00 14.12 C ATOM 387 C ASP A 25 -5.365 7.862 -8.933 1.00 64.34 C ATOM 388 O ASP A 25 -5.772 8.254 -7.840 1.00 75.10 O ATOM 389 CB ASP A 25 -7.531 8.356 -10.085 1.00 25.35 C ATOM 390 CG ASP A 25 -8.612 8.012 -9.079 1.00 25.32 C ATOM 391 OD1 ASP A 25 -8.267 7.541 -7.974 1.00 41.13 O ATOM 392 OD2 ASP A 25 -9.802 8.214 -9.396 1.00 32.22 O ATOM 0 H ASP A 25 -6.284 5.556 -9.012 1.00 1.42 H new ATOM 0 HA ASP A 25 -5.820 7.403 -10.971 1.00 14.12 H new ATOM 0 HB2 ASP A 25 -7.186 9.375 -9.909 1.00 25.35 H new ATOM 0 HB3 ASP A 25 -7.953 8.331 -11.090 1.00 25.35 H new ATOM 397 N VAL A 26 -4.074 7.812 -9.248 1.00 52.14 N ATOM 398 CA VAL A 26 -3.041 8.226 -8.307 1.00 21.03 C ATOM 399 C VAL A 26 -2.240 9.403 -8.852 1.00 61.11 C ATOM 400 O VAL A 26 -2.004 9.502 -10.056 1.00 44.33 O ATOM 401 CB VAL A 26 -2.077 7.068 -7.986 1.00 72.12 C ATOM 402 CG1 VAL A 26 -0.807 7.185 -8.815 1.00 72.21 C ATOM 403 CG2 VAL A 26 -1.753 7.041 -6.500 1.00 72.11 C ATOM 0 H VAL A 26 -3.719 7.489 -10.148 1.00 52.14 H new ATOM 0 HA VAL A 26 -3.550 8.529 -7.392 1.00 21.03 H new ATOM 0 HB VAL A 26 -2.566 6.129 -8.245 1.00 72.12 H new ATOM 0 HG11 VAL A 26 -0.138 6.359 -8.575 1.00 72.21 H new ATOM 0 HG12 VAL A 26 -1.060 7.151 -9.875 1.00 72.21 H new ATOM 0 HG13 VAL A 26 -0.312 8.130 -8.590 1.00 72.21 H new ATOM 0 HG21 VAL A 26 -1.071 6.217 -6.291 1.00 72.11 H new ATOM 0 HG22 VAL A 26 -1.284 7.982 -6.213 1.00 72.11 H new ATOM 0 HG23 VAL A 26 -2.672 6.905 -5.930 1.00 72.11 H new ATOM 413 N PHE A 27 -1.824 10.293 -7.958 1.00 3.43 N ATOM 414 CA PHE A 27 -1.049 11.465 -8.349 1.00 1.11 C ATOM 415 C PHE A 27 0.438 11.245 -8.088 1.00 45.53 C ATOM 416 O PHE A 27 0.861 11.071 -6.945 1.00 71.23 O ATOM 417 CB PHE A 27 -1.534 12.701 -7.589 1.00 13.04 C ATOM 418 CG PHE A 27 -1.438 13.971 -8.385 1.00 32.11 C ATOM 419 CD1 PHE A 27 -0.279 14.285 -9.076 1.00 22.22 C ATOM 420 CD2 PHE A 27 -2.507 14.850 -8.443 1.00 52.31 C ATOM 421 CE1 PHE A 27 -0.188 15.453 -9.809 1.00 4.04 C ATOM 422 CE2 PHE A 27 -2.422 16.020 -9.175 1.00 20.03 C ATOM 423 CZ PHE A 27 -1.261 16.321 -9.859 1.00 42.12 C ATOM 0 H PHE A 27 -2.010 10.225 -6.957 1.00 3.43 H new ATOM 0 HA PHE A 27 -1.193 11.625 -9.418 1.00 1.11 H new ATOM 0 HB2 PHE A 27 -2.570 12.548 -7.287 1.00 13.04 H new ATOM 0 HB3 PHE A 27 -0.949 12.809 -6.676 1.00 13.04 H new ATOM 0 HD1 PHE A 27 0.563 13.609 -9.041 1.00 22.22 H new ATOM 0 HD2 PHE A 27 -3.418 14.619 -7.910 1.00 52.31 H new ATOM 0 HE1 PHE A 27 0.722 15.687 -10.342 1.00 4.04 H new ATOM 0 HE2 PHE A 27 -3.262 16.697 -9.212 1.00 20.03 H new ATOM 0 HZ PHE A 27 -1.192 17.234 -10.432 1.00 42.12 H new ATOM 433 N VAL A 28 1.228 11.255 -9.158 1.00 2.04 N ATOM 434 CA VAL A 28 2.668 11.057 -9.046 1.00 5.50 C ATOM 435 C VAL A 28 3.433 12.208 -9.692 1.00 74.42 C ATOM 436 O VAL A 28 3.026 12.733 -10.729 1.00 73.52 O ATOM 437 CB VAL A 28 3.106 9.733 -9.700 1.00 52.41 C ATOM 438 CG1 VAL A 28 2.043 8.663 -9.502 1.00 3.14 C ATOM 439 CG2 VAL A 28 3.396 9.941 -11.179 1.00 31.51 C ATOM 0 H VAL A 28 0.895 11.398 -10.111 1.00 2.04 H new ATOM 0 HA VAL A 28 2.900 11.022 -7.982 1.00 5.50 H new ATOM 0 HB VAL A 28 4.023 9.394 -9.217 1.00 52.41 H new ATOM 0 HG11 VAL A 28 2.370 7.735 -9.971 1.00 3.14 H new ATOM 0 HG12 VAL A 28 1.888 8.497 -8.436 1.00 3.14 H new ATOM 0 HG13 VAL A 28 1.108 8.990 -9.957 1.00 3.14 H new ATOM 0 HG21 VAL A 28 3.704 8.996 -11.626 1.00 31.51 H new ATOM 0 HG22 VAL A 28 2.497 10.303 -11.679 1.00 31.51 H new ATOM 0 HG23 VAL A 28 4.195 10.674 -11.294 1.00 31.51 H new ATOM 449 N HIS A 29 4.543 12.595 -9.073 1.00 22.10 N ATOM 450 CA HIS A 29 5.366 13.683 -9.589 1.00 2.24 C ATOM 451 C HIS A 29 6.793 13.209 -9.848 1.00 1.30 C ATOM 452 O HIS A 29 7.223 12.183 -9.321 1.00 12.02 O ATOM 453 CB HIS A 29 5.376 14.854 -8.605 1.00 20.41 C ATOM 454 CG HIS A 29 4.348 15.900 -8.909 1.00 23.13 C ATOM 455 ND1 HIS A 29 4.661 17.230 -9.095 1.00 72.02 N ATOM 456 CD2 HIS A 29 3.007 15.805 -9.060 1.00 54.41 C ATOM 457 CE1 HIS A 29 3.555 17.909 -9.346 1.00 65.43 C ATOM 458 NE2 HIS A 29 2.537 17.067 -9.331 1.00 44.22 N ATOM 0 H HIS A 29 4.894 12.172 -8.214 1.00 22.10 H new ATOM 0 HA HIS A 29 4.935 14.015 -10.533 1.00 2.24 H new ATOM 0 HB2 HIS A 29 5.208 14.473 -7.598 1.00 20.41 H new ATOM 0 HB3 HIS A 29 6.364 15.315 -8.611 1.00 20.41 H new ATOM 0 HD2 HIS A 29 2.416 14.904 -8.982 1.00 54.41 H new ATOM 0 HE1 HIS A 29 3.494 18.971 -9.532 1.00 65.43 H new ATOM 0 HE2 HIS A 29 1.561 17.314 -9.494 1.00 44.22 H new ATOM 466 N PHE A 30 7.523 13.963 -10.664 1.00 14.01 N ATOM 467 CA PHE A 30 8.901 13.619 -10.995 1.00 14.13 C ATOM 468 C PHE A 30 9.750 13.501 -9.732 1.00 73.34 C ATOM 469 O PHE A 30 10.795 12.849 -9.731 1.00 53.23 O ATOM 470 CB PHE A 30 9.501 14.671 -11.930 1.00 12.12 C ATOM 471 CG PHE A 30 9.882 15.946 -11.232 1.00 72.43 C ATOM 472 CD1 PHE A 30 11.150 16.106 -10.698 1.00 63.11 C ATOM 473 CD2 PHE A 30 8.972 16.983 -11.111 1.00 50.42 C ATOM 474 CE1 PHE A 30 11.503 17.277 -10.055 1.00 41.31 C ATOM 475 CE2 PHE A 30 9.319 18.157 -10.470 1.00 3.54 C ATOM 476 CZ PHE A 30 10.587 18.305 -9.942 1.00 30.22 C ATOM 0 H PHE A 30 7.183 14.816 -11.108 1.00 14.01 H new ATOM 0 HA PHE A 30 8.897 12.653 -11.501 1.00 14.13 H new ATOM 0 HB2 PHE A 30 10.384 14.254 -12.415 1.00 12.12 H new ATOM 0 HB3 PHE A 30 8.782 14.898 -12.717 1.00 12.12 H new ATOM 0 HD1 PHE A 30 11.871 15.307 -10.785 1.00 63.11 H new ATOM 0 HD2 PHE A 30 7.980 16.873 -11.522 1.00 50.42 H new ATOM 0 HE1 PHE A 30 12.494 17.389 -9.641 1.00 41.31 H new ATOM 0 HE2 PHE A 30 8.600 18.958 -10.382 1.00 3.54 H new ATOM 0 HZ PHE A 30 10.862 19.222 -9.442 1.00 30.22 H new ATOM 486 N THR A 31 9.293 14.136 -8.658 1.00 3.34 N ATOM 487 CA THR A 31 10.010 14.105 -7.389 1.00 62.31 C ATOM 488 C THR A 31 9.486 12.992 -6.489 1.00 21.41 C ATOM 489 O THR A 31 9.688 13.015 -5.275 1.00 43.03 O ATOM 490 CB THR A 31 9.895 15.448 -6.645 1.00 11.41 C ATOM 491 OG1 THR A 31 10.754 15.449 -5.499 1.00 53.11 O ATOM 492 CG2 THR A 31 8.460 15.704 -6.210 1.00 11.54 C ATOM 0 H THR A 31 8.429 14.678 -8.641 1.00 3.34 H new ATOM 0 HA THR A 31 11.058 13.917 -7.623 1.00 62.31 H new ATOM 0 HB THR A 31 10.199 16.243 -7.326 1.00 11.41 H new ATOM 0 HG1 THR A 31 10.696 14.582 -5.046 1.00 53.11 H new ATOM 0 HG21 THR A 31 8.403 16.658 -5.686 1.00 11.54 H new ATOM 0 HG22 THR A 31 7.813 15.732 -7.087 1.00 11.54 H new ATOM 0 HG23 THR A 31 8.134 14.905 -5.544 1.00 11.54 H new ATOM 500 N ALA A 32 8.812 12.017 -7.092 1.00 4.44 N ATOM 501 CA ALA A 32 8.262 10.894 -6.344 1.00 73.31 C ATOM 502 C ALA A 32 8.870 9.575 -6.808 1.00 71.34 C ATOM 503 O ALA A 32 8.861 8.585 -6.076 1.00 72.43 O ATOM 504 CB ALA A 32 6.747 10.858 -6.485 1.00 62.52 C ATOM 0 H ALA A 32 8.634 11.983 -8.096 1.00 4.44 H new ATOM 0 HA ALA A 32 8.515 11.030 -5.293 1.00 73.31 H new ATOM 0 HB1 ALA A 32 6.349 10.014 -5.921 1.00 62.52 H new ATOM 0 HB2 ALA A 32 6.323 11.785 -6.098 1.00 62.52 H new ATOM 0 HB3 ALA A 32 6.482 10.749 -7.537 1.00 62.52 H new ATOM 510 N ILE A 33 9.396 9.568 -8.028 1.00 45.33 N ATOM 511 CA ILE A 33 10.009 8.370 -8.589 1.00 40.41 C ATOM 512 C ILE A 33 11.334 8.057 -7.902 1.00 34.04 C ATOM 513 O ILE A 33 12.212 8.913 -7.807 1.00 1.24 O ATOM 514 CB ILE A 33 10.252 8.518 -10.103 1.00 14.12 C ATOM 515 CG1 ILE A 33 8.920 8.657 -10.844 1.00 0.55 C ATOM 516 CG2 ILE A 33 11.036 7.327 -10.632 1.00 42.01 C ATOM 517 CD1 ILE A 33 8.398 10.077 -10.886 1.00 71.50 C ATOM 0 H ILE A 33 9.410 10.378 -8.647 1.00 45.33 H new ATOM 0 HA ILE A 33 9.311 7.550 -8.419 1.00 40.41 H new ATOM 0 HB ILE A 33 10.839 9.420 -10.276 1.00 14.12 H new ATOM 0 HG12 ILE A 33 9.041 8.292 -11.864 1.00 0.55 H new ATOM 0 HG13 ILE A 33 8.178 8.019 -10.364 1.00 0.55 H new ATOM 0 HG21 ILE A 33 11.200 7.446 -11.703 1.00 42.01 H new ATOM 0 HG22 ILE A 33 11.998 7.269 -10.122 1.00 42.01 H new ATOM 0 HG23 ILE A 33 10.473 6.411 -10.451 1.00 42.01 H new ATOM 0 HD11 ILE A 33 7.452 10.101 -11.426 1.00 71.50 H new ATOM 0 HD12 ILE A 33 8.245 10.439 -9.869 1.00 71.50 H new ATOM 0 HD13 ILE A 33 9.121 10.716 -11.393 1.00 71.50 H new ATOM 529 N GLU A 34 11.470 6.823 -7.425 1.00 55.24 N ATOM 530 CA GLU A 34 12.688 6.397 -6.747 1.00 61.25 C ATOM 531 C GLU A 34 13.716 5.880 -7.750 1.00 32.41 C ATOM 532 O GLU A 34 13.808 4.677 -7.996 1.00 1.32 O ATOM 533 CB GLU A 34 12.372 5.310 -5.718 1.00 32.10 C ATOM 534 CG GLU A 34 11.272 5.696 -4.743 1.00 51.25 C ATOM 535 CD GLU A 34 11.791 5.920 -3.337 1.00 2.34 C ATOM 536 OE1 GLU A 34 12.570 5.075 -2.849 1.00 73.51 O ATOM 537 OE2 GLU A 34 11.419 6.943 -2.723 1.00 73.42 O ATOM 0 H GLU A 34 10.752 6.102 -7.496 1.00 55.24 H new ATOM 0 HA GLU A 34 13.109 7.261 -6.234 1.00 61.25 H new ATOM 0 HB2 GLU A 34 12.079 4.400 -6.242 1.00 32.10 H new ATOM 0 HB3 GLU A 34 13.278 5.078 -5.158 1.00 32.10 H new ATOM 0 HG2 GLU A 34 10.782 6.604 -5.094 1.00 51.25 H new ATOM 0 HG3 GLU A 34 10.515 4.912 -4.726 1.00 51.25 H new ATOM 544 N ALA A 35 14.486 6.797 -8.326 1.00 12.12 N ATOM 545 CA ALA A 35 15.508 6.435 -9.300 1.00 74.31 C ATOM 546 C ALA A 35 16.822 7.150 -9.009 1.00 3.33 C ATOM 547 O ALA A 35 16.836 8.220 -8.399 1.00 60.13 O ATOM 548 CB ALA A 35 15.031 6.755 -10.709 1.00 12.41 C ATOM 0 H ALA A 35 14.421 7.797 -8.135 1.00 12.12 H new ATOM 0 HA ALA A 35 15.684 5.362 -9.223 1.00 74.31 H new ATOM 0 HB1 ALA A 35 15.804 6.480 -11.426 1.00 12.41 H new ATOM 0 HB2 ALA A 35 14.122 6.193 -10.922 1.00 12.41 H new ATOM 0 HB3 ALA A 35 14.825 7.822 -10.790 1.00 12.41 H new ATOM 554 N ASP A 36 17.925 6.553 -9.447 1.00 40.31 N ATOM 555 CA ASP A 36 19.245 7.134 -9.234 1.00 5.25 C ATOM 556 C ASP A 36 19.472 8.325 -10.160 1.00 73.10 C ATOM 557 O ASP A 36 20.231 8.239 -11.124 1.00 74.44 O ATOM 558 CB ASP A 36 20.332 6.082 -9.461 1.00 31.14 C ATOM 559 CG ASP A 36 20.669 5.315 -8.197 1.00 15.33 C ATOM 560 OD1 ASP A 36 19.831 4.500 -7.757 1.00 3.11 O ATOM 561 OD2 ASP A 36 21.769 5.531 -7.647 1.00 0.33 O ATOM 0 H ASP A 36 17.931 5.667 -9.952 1.00 40.31 H new ATOM 0 HA ASP A 36 19.298 7.484 -8.203 1.00 5.25 H new ATOM 0 HB2 ASP A 36 20.002 5.383 -10.230 1.00 31.14 H new ATOM 0 HB3 ASP A 36 21.232 6.569 -9.838 1.00 31.14 H new ATOM 566 N GLY A 37 18.806 9.436 -9.861 1.00 1.45 N ATOM 567 CA GLY A 37 18.947 10.628 -10.677 1.00 1.14 C ATOM 568 C GLY A 37 17.632 11.074 -11.284 1.00 73.31 C ATOM 569 O GLY A 37 16.737 10.259 -11.511 1.00 14.23 O ATOM 0 H GLY A 37 18.171 9.532 -9.068 1.00 1.45 H new ATOM 0 HA2 GLY A 37 19.355 11.435 -10.068 1.00 1.14 H new ATOM 0 HA3 GLY A 37 19.665 10.436 -11.474 1.00 1.14 H new ATOM 573 N PHE A 38 17.513 12.371 -11.547 1.00 73.24 N ATOM 574 CA PHE A 38 16.296 12.924 -12.130 1.00 13.11 C ATOM 575 C PHE A 38 15.893 12.152 -13.383 1.00 13.01 C ATOM 576 O PHE A 38 16.611 12.151 -14.382 1.00 45.13 O ATOM 577 CB PHE A 38 16.494 14.403 -12.470 1.00 63.41 C ATOM 578 CG PHE A 38 17.591 14.646 -13.467 1.00 53.33 C ATOM 579 CD1 PHE A 38 18.917 14.669 -13.067 1.00 30.52 C ATOM 580 CD2 PHE A 38 17.295 14.853 -14.805 1.00 62.51 C ATOM 581 CE1 PHE A 38 19.928 14.893 -13.982 1.00 54.43 C ATOM 582 CE2 PHE A 38 18.302 15.077 -15.725 1.00 53.54 C ATOM 583 CZ PHE A 38 19.620 15.097 -15.313 1.00 73.24 C ATOM 0 H PHE A 38 18.244 13.059 -11.366 1.00 73.24 H new ATOM 0 HA PHE A 38 15.497 12.831 -11.395 1.00 13.11 H new ATOM 0 HB2 PHE A 38 15.561 14.806 -12.863 1.00 63.41 H new ATOM 0 HB3 PHE A 38 16.717 14.951 -11.555 1.00 63.41 H new ATOM 0 HD1 PHE A 38 19.164 14.510 -12.028 1.00 30.52 H new ATOM 0 HD2 PHE A 38 16.266 14.839 -15.133 1.00 62.51 H new ATOM 0 HE1 PHE A 38 20.958 14.909 -13.657 1.00 54.43 H new ATOM 0 HE2 PHE A 38 18.058 15.236 -16.765 1.00 53.54 H new ATOM 0 HZ PHE A 38 20.408 15.272 -16.030 1.00 73.24 H new ATOM 593 N ARG A 39 14.739 11.496 -13.321 1.00 33.34 N ATOM 594 CA ARG A 39 14.240 10.718 -14.449 1.00 2.14 C ATOM 595 C ARG A 39 12.717 10.630 -14.417 1.00 62.24 C ATOM 596 O ARG A 39 12.066 11.238 -13.567 1.00 70.21 O ATOM 597 CB ARG A 39 14.844 9.312 -14.433 1.00 14.43 C ATOM 598 CG ARG A 39 16.302 9.271 -14.860 1.00 33.42 C ATOM 599 CD ARG A 39 16.479 9.768 -16.286 1.00 10.42 C ATOM 600 NE ARG A 39 17.661 9.195 -16.923 1.00 24.13 N ATOM 601 CZ ARG A 39 18.901 9.603 -16.674 1.00 31.31 C ATOM 602 NH1 ARG A 39 19.119 10.581 -15.806 1.00 12.00 N ATOM 603 NH2 ARG A 39 19.926 9.031 -17.293 1.00 53.15 N ATOM 0 H ARG A 39 14.132 11.488 -12.502 1.00 33.34 H new ATOM 0 HA ARG A 39 14.538 11.223 -15.368 1.00 2.14 H new ATOM 0 HB2 ARG A 39 14.757 8.900 -13.428 1.00 14.43 H new ATOM 0 HB3 ARG A 39 14.263 8.668 -15.093 1.00 14.43 H new ATOM 0 HG2 ARG A 39 16.898 9.884 -14.183 1.00 33.42 H new ATOM 0 HG3 ARG A 39 16.677 8.251 -14.780 1.00 33.42 H new ATOM 0 HD2 ARG A 39 15.594 9.515 -16.870 1.00 10.42 H new ATOM 0 HD3 ARG A 39 16.560 10.855 -16.284 1.00 10.42 H new ATOM 0 HE ARG A 39 17.528 8.440 -17.596 1.00 24.13 H new ATOM 0 HH11 ARG A 39 18.334 11.022 -15.327 1.00 12.00 H new ATOM 0 HH12 ARG A 39 20.072 10.892 -15.617 1.00 12.00 H new ATOM 0 HH21 ARG A 39 19.763 8.277 -17.961 1.00 53.15 H new ATOM 0 HH22 ARG A 39 20.877 9.345 -17.101 1.00 53.15 H new ATOM 617 N THR A 40 12.154 9.869 -15.351 1.00 23.21 N ATOM 618 CA THR A 40 10.709 9.702 -15.432 1.00 13.12 C ATOM 619 C THR A 40 10.331 8.231 -15.561 1.00 23.12 C ATOM 620 O THR A 40 11.164 7.346 -15.360 1.00 30.32 O ATOM 621 CB THR A 40 10.120 10.478 -16.625 1.00 14.10 C ATOM 622 OG1 THR A 40 10.449 9.815 -17.851 1.00 10.51 O ATOM 623 CG2 THR A 40 10.647 11.905 -16.656 1.00 71.32 C ATOM 0 H THR A 40 12.678 9.359 -16.062 1.00 23.21 H new ATOM 0 HA THR A 40 10.293 10.101 -14.507 1.00 13.12 H new ATOM 0 HB THR A 40 9.037 10.511 -16.510 1.00 14.10 H new ATOM 0 HG1 THR A 40 10.070 10.314 -18.605 1.00 10.51 H new ATOM 0 HG21 THR A 40 10.217 12.433 -17.507 1.00 71.32 H new ATOM 0 HG22 THR A 40 10.369 12.416 -15.734 1.00 71.32 H new ATOM 0 HG23 THR A 40 11.733 11.890 -16.749 1.00 71.32 H new ATOM 631 N LEU A 41 9.072 7.975 -15.898 1.00 11.52 N ATOM 632 CA LEU A 41 8.584 6.610 -16.055 1.00 31.32 C ATOM 633 C LEU A 41 8.367 6.275 -17.527 1.00 33.10 C ATOM 634 O LEU A 41 8.547 7.123 -18.400 1.00 15.15 O ATOM 635 CB LEU A 41 7.279 6.421 -15.279 1.00 51.22 C ATOM 636 CG LEU A 41 7.360 6.632 -13.767 1.00 25.01 C ATOM 637 CD1 LEU A 41 6.014 6.357 -13.116 1.00 54.43 C ATOM 638 CD2 LEU A 41 8.438 5.744 -13.162 1.00 70.20 C ATOM 0 H LEU A 41 8.370 8.695 -16.068 1.00 11.52 H new ATOM 0 HA LEU A 41 9.338 5.933 -15.655 1.00 31.32 H new ATOM 0 HB2 LEU A 41 6.537 7.110 -15.682 1.00 51.22 H new ATOM 0 HB3 LEU A 41 6.912 5.412 -15.466 1.00 51.22 H new ATOM 0 HG LEU A 41 7.625 7.672 -13.579 1.00 25.01 H new ATOM 0 HD11 LEU A 41 6.092 6.512 -12.040 1.00 54.43 H new ATOM 0 HD12 LEU A 41 5.266 7.034 -13.527 1.00 54.43 H new ATOM 0 HD13 LEU A 41 5.718 5.327 -13.313 1.00 54.43 H new ATOM 0 HD21 LEU A 41 8.482 5.907 -12.085 1.00 70.20 H new ATOM 0 HD22 LEU A 41 8.202 4.699 -13.361 1.00 70.20 H new ATOM 0 HD23 LEU A 41 9.403 5.989 -13.606 1.00 70.20 H new ATOM 650 N ASN A 42 7.977 5.033 -17.795 1.00 32.23 N ATOM 651 CA ASN A 42 7.733 4.586 -19.161 1.00 42.05 C ATOM 652 C ASN A 42 6.255 4.275 -19.377 1.00 21.13 C ATOM 653 O ASN A 42 5.662 3.492 -18.636 1.00 13.45 O ATOM 654 CB ASN A 42 8.577 3.349 -19.474 1.00 21.42 C ATOM 655 CG ASN A 42 10.056 3.668 -19.573 1.00 63.32 C ATOM 656 OD1 ASN A 42 10.607 3.774 -20.669 1.00 25.11 O ATOM 657 ND2 ASN A 42 10.707 3.822 -18.426 1.00 34.23 N ATOM 0 H ASN A 42 7.823 4.318 -17.084 1.00 32.23 H new ATOM 0 HA ASN A 42 8.018 5.393 -19.836 1.00 42.05 H new ATOM 0 HB2 ASN A 42 8.421 2.600 -18.698 1.00 21.42 H new ATOM 0 HB3 ASN A 42 8.239 2.910 -20.413 1.00 21.42 H new ATOM 0 HD21 ASN A 42 11.704 4.037 -18.430 1.00 34.23 H new ATOM 0 HD22 ASN A 42 10.210 3.725 -17.541 1.00 34.23 H new ATOM 664 N GLU A 43 5.668 4.893 -20.397 1.00 3.22 N ATOM 665 CA GLU A 43 4.260 4.682 -20.709 1.00 74.01 C ATOM 666 C GLU A 43 3.996 3.224 -21.074 1.00 60.11 C ATOM 667 O GLU A 43 4.570 2.698 -22.027 1.00 32.44 O ATOM 668 CB GLU A 43 3.827 5.593 -21.859 1.00 41.45 C ATOM 669 CG GLU A 43 2.452 5.263 -22.414 1.00 35.22 C ATOM 670 CD GLU A 43 2.072 6.138 -23.592 1.00 54.12 C ATOM 671 OE1 GLU A 43 2.892 6.993 -23.986 1.00 63.43 O ATOM 672 OE2 GLU A 43 0.953 5.968 -24.120 1.00 73.15 O ATOM 0 H GLU A 43 6.146 5.543 -21.021 1.00 3.22 H new ATOM 0 HA GLU A 43 3.677 4.928 -19.821 1.00 74.01 H new ATOM 0 HB2 GLU A 43 3.831 6.627 -21.513 1.00 41.45 H new ATOM 0 HB3 GLU A 43 4.560 5.523 -22.663 1.00 41.45 H new ATOM 0 HG2 GLU A 43 2.430 4.217 -22.721 1.00 35.22 H new ATOM 0 HG3 GLU A 43 1.709 5.379 -21.625 1.00 35.22 H new ATOM 679 N GLY A 44 3.123 2.576 -20.308 1.00 41.50 N ATOM 680 CA GLY A 44 2.799 1.186 -20.565 1.00 73.45 C ATOM 681 C GLY A 44 3.692 0.230 -19.799 1.00 43.54 C ATOM 682 O GLY A 44 3.611 -0.984 -19.979 1.00 70.02 O ATOM 0 H GLY A 44 2.635 2.990 -19.514 1.00 41.50 H new ATOM 0 HA2 GLY A 44 1.759 1.003 -20.294 1.00 73.45 H new ATOM 0 HA3 GLY A 44 2.890 0.987 -21.633 1.00 73.45 H new ATOM 686 N GLU A 45 4.548 0.781 -18.944 1.00 23.41 N ATOM 687 CA GLU A 45 5.462 -0.032 -18.150 1.00 65.00 C ATOM 688 C GLU A 45 4.917 -0.246 -16.741 1.00 52.20 C ATOM 689 O GLU A 45 4.081 0.522 -16.264 1.00 13.22 O ATOM 690 CB GLU A 45 6.840 0.631 -18.080 1.00 72.23 C ATOM 691 CG GLU A 45 7.862 -0.171 -17.292 1.00 12.11 C ATOM 692 CD GLU A 45 9.264 0.396 -17.408 1.00 75.23 C ATOM 693 OE1 GLU A 45 9.595 1.319 -16.636 1.00 4.33 O ATOM 694 OE2 GLU A 45 10.028 -0.083 -18.271 1.00 60.44 O ATOM 0 H GLU A 45 4.628 1.785 -18.784 1.00 23.41 H new ATOM 0 HA GLU A 45 5.558 -1.003 -18.635 1.00 65.00 H new ATOM 0 HB2 GLU A 45 7.213 0.783 -19.093 1.00 72.23 H new ATOM 0 HB3 GLU A 45 6.737 1.617 -17.627 1.00 72.23 H new ATOM 0 HG2 GLU A 45 7.569 -0.194 -16.242 1.00 12.11 H new ATOM 0 HG3 GLU A 45 7.861 -1.202 -17.646 1.00 12.11 H new ATOM 701 N HIS A 46 5.396 -1.295 -16.080 1.00 74.12 N ATOM 702 CA HIS A 46 4.956 -1.611 -14.726 1.00 4.14 C ATOM 703 C HIS A 46 5.791 -0.857 -13.694 1.00 72.14 C ATOM 704 O HIS A 46 7.007 -0.732 -13.837 1.00 2.34 O ATOM 705 CB HIS A 46 5.051 -3.116 -14.474 1.00 3.01 C ATOM 706 CG HIS A 46 4.582 -3.947 -15.628 1.00 72.11 C ATOM 707 ND1 HIS A 46 3.361 -4.588 -15.647 1.00 12.51 N ATOM 708 CD2 HIS A 46 5.177 -4.239 -16.808 1.00 75.44 C ATOM 709 CE1 HIS A 46 3.226 -5.239 -16.788 1.00 35.30 C ATOM 710 NE2 HIS A 46 4.313 -5.044 -17.511 1.00 45.20 N ATOM 0 H HIS A 46 6.089 -1.940 -16.460 1.00 74.12 H new ATOM 0 HA HIS A 46 3.917 -1.299 -14.626 1.00 4.14 H new ATOM 0 HB2 HIS A 46 6.086 -3.374 -14.248 1.00 3.01 H new ATOM 0 HB3 HIS A 46 4.460 -3.367 -13.593 1.00 3.01 H new ATOM 0 HD2 HIS A 46 6.149 -3.902 -17.136 1.00 75.44 H new ATOM 0 HE1 HIS A 46 2.371 -5.831 -17.080 1.00 35.30 H new ATOM 0 HE2 HIS A 46 4.484 -5.428 -18.440 1.00 45.20 H new ATOM 718 N VAL A 47 5.129 -0.356 -12.656 1.00 74.13 N ATOM 719 CA VAL A 47 5.809 0.385 -11.601 1.00 50.10 C ATOM 720 C VAL A 47 4.987 0.393 -10.317 1.00 54.33 C ATOM 721 O VAL A 47 3.764 0.529 -10.353 1.00 42.41 O ATOM 722 CB VAL A 47 6.090 1.838 -12.027 1.00 54.33 C ATOM 723 CG1 VAL A 47 7.282 1.898 -12.970 1.00 31.31 C ATOM 724 CG2 VAL A 47 4.857 2.451 -12.675 1.00 33.24 C ATOM 0 H VAL A 47 4.122 -0.450 -12.523 1.00 74.13 H new ATOM 0 HA VAL A 47 6.757 -0.122 -11.419 1.00 50.10 H new ATOM 0 HB VAL A 47 6.332 2.418 -11.137 1.00 54.33 H new ATOM 0 HG11 VAL A 47 7.465 2.933 -13.260 1.00 31.31 H new ATOM 0 HG12 VAL A 47 8.164 1.501 -12.467 1.00 31.31 H new ATOM 0 HG13 VAL A 47 7.073 1.304 -13.859 1.00 31.31 H new ATOM 0 HG21 VAL A 47 5.073 3.478 -12.970 1.00 33.24 H new ATOM 0 HG22 VAL A 47 4.582 1.871 -13.556 1.00 33.24 H new ATOM 0 HG23 VAL A 47 4.031 2.444 -11.964 1.00 33.24 H new ATOM 734 N GLU A 48 5.667 0.247 -9.184 1.00 54.14 N ATOM 735 CA GLU A 48 4.998 0.237 -7.889 1.00 12.53 C ATOM 736 C GLU A 48 5.054 1.616 -7.237 1.00 52.33 C ATOM 737 O GLU A 48 6.129 2.190 -7.063 1.00 23.41 O ATOM 738 CB GLU A 48 5.640 -0.801 -6.966 1.00 53.12 C ATOM 739 CG GLU A 48 5.263 -0.632 -5.504 1.00 10.30 C ATOM 740 CD GLU A 48 5.769 -1.767 -4.636 1.00 24.21 C ATOM 741 OE1 GLU A 48 6.860 -2.299 -4.932 1.00 41.32 O ATOM 742 OE2 GLU A 48 5.076 -2.124 -3.661 1.00 74.41 O ATOM 0 H GLU A 48 6.680 0.134 -9.137 1.00 54.14 H new ATOM 0 HA GLU A 48 3.953 -0.028 -8.051 1.00 12.53 H new ATOM 0 HB2 GLU A 48 5.347 -1.798 -7.295 1.00 53.12 H new ATOM 0 HB3 GLU A 48 6.724 -0.739 -7.062 1.00 53.12 H new ATOM 0 HG2 GLU A 48 5.667 0.311 -5.135 1.00 10.30 H new ATOM 0 HG3 GLU A 48 4.178 -0.569 -5.417 1.00 10.30 H new ATOM 749 N PHE A 49 3.887 2.143 -6.880 1.00 43.20 N ATOM 750 CA PHE A 49 3.802 3.455 -6.249 1.00 41.23 C ATOM 751 C PHE A 49 3.198 3.349 -4.852 1.00 74.03 C ATOM 752 O PHE A 49 2.328 2.515 -4.603 1.00 61.45 O ATOM 753 CB PHE A 49 2.965 4.404 -7.109 1.00 14.41 C ATOM 754 CG PHE A 49 1.607 3.861 -7.454 1.00 25.03 C ATOM 755 CD1 PHE A 49 1.450 2.969 -8.502 1.00 74.10 C ATOM 756 CD2 PHE A 49 0.489 4.243 -6.730 1.00 24.33 C ATOM 757 CE1 PHE A 49 0.202 2.467 -8.822 1.00 22.42 C ATOM 758 CE2 PHE A 49 -0.760 3.743 -7.044 1.00 53.44 C ATOM 759 CZ PHE A 49 -0.904 2.855 -8.092 1.00 53.35 C ATOM 0 H PHE A 49 2.988 1.682 -7.017 1.00 43.20 H new ATOM 0 HA PHE A 49 4.813 3.853 -6.159 1.00 41.23 H new ATOM 0 HB2 PHE A 49 2.846 5.350 -6.581 1.00 14.41 H new ATOM 0 HB3 PHE A 49 3.506 4.619 -8.030 1.00 14.41 H new ATOM 0 HD1 PHE A 49 2.312 2.662 -9.076 1.00 74.10 H new ATOM 0 HD2 PHE A 49 0.595 4.939 -5.911 1.00 24.33 H new ATOM 0 HE1 PHE A 49 0.092 1.772 -9.642 1.00 22.42 H new ATOM 0 HE2 PHE A 49 -1.623 4.046 -6.470 1.00 53.44 H new ATOM 0 HZ PHE A 49 -1.880 2.465 -8.340 1.00 53.35 H new ATOM 769 N GLU A 50 3.666 4.200 -3.945 1.00 53.40 N ATOM 770 CA GLU A 50 3.172 4.201 -2.573 1.00 3.11 C ATOM 771 C GLU A 50 2.273 5.408 -2.319 1.00 25.25 C ATOM 772 O GLU A 50 2.755 6.511 -2.059 1.00 33.22 O ATOM 773 CB GLU A 50 4.342 4.206 -1.587 1.00 22.13 C ATOM 774 CG GLU A 50 5.071 2.876 -1.501 1.00 23.43 C ATOM 775 CD GLU A 50 6.011 2.801 -0.313 1.00 34.23 C ATOM 776 OE1 GLU A 50 6.202 3.837 0.358 1.00 53.12 O ATOM 777 OE2 GLU A 50 6.555 1.707 -0.054 1.00 15.25 O ATOM 0 H GLU A 50 4.386 4.897 -4.135 1.00 53.40 H new ATOM 0 HA GLU A 50 2.585 3.295 -2.424 1.00 3.11 H new ATOM 0 HB2 GLU A 50 5.050 4.981 -1.881 1.00 22.13 H new ATOM 0 HB3 GLU A 50 3.971 4.472 -0.597 1.00 22.13 H new ATOM 0 HG2 GLU A 50 4.341 2.070 -1.433 1.00 23.43 H new ATOM 0 HG3 GLU A 50 5.638 2.717 -2.418 1.00 23.43 H new ATOM 784 N VAL A 51 0.964 5.190 -2.396 1.00 24.02 N ATOM 785 CA VAL A 51 -0.003 6.258 -2.174 1.00 3.23 C ATOM 786 C VAL A 51 0.091 6.797 -0.751 1.00 1.51 C ATOM 787 O VAL A 51 -0.012 6.044 0.216 1.00 23.05 O ATOM 788 CB VAL A 51 -1.442 5.775 -2.434 1.00 40.31 C ATOM 789 CG1 VAL A 51 -1.586 5.271 -3.862 1.00 30.32 C ATOM 790 CG2 VAL A 51 -1.830 4.694 -1.436 1.00 45.43 C ATOM 0 H VAL A 51 0.549 4.283 -2.610 1.00 24.02 H new ATOM 0 HA VAL A 51 0.238 7.055 -2.878 1.00 3.23 H new ATOM 0 HB VAL A 51 -2.119 6.619 -2.302 1.00 40.31 H new ATOM 0 HG11 VAL A 51 -2.609 4.934 -4.027 1.00 30.32 H new ATOM 0 HG12 VAL A 51 -1.353 6.077 -4.558 1.00 30.32 H new ATOM 0 HG13 VAL A 51 -0.899 4.440 -4.026 1.00 30.32 H new ATOM 0 HG21 VAL A 51 -2.850 4.365 -1.635 1.00 45.43 H new ATOM 0 HG22 VAL A 51 -1.150 3.848 -1.533 1.00 45.43 H new ATOM 0 HG23 VAL A 51 -1.769 5.094 -0.424 1.00 45.43 H new ATOM 800 N GLU A 52 0.287 8.107 -0.632 1.00 15.02 N ATOM 801 CA GLU A 52 0.395 8.747 0.674 1.00 75.10 C ATOM 802 C GLU A 52 -0.744 9.740 0.889 1.00 43.42 C ATOM 803 O GLU A 52 -1.392 10.194 -0.055 1.00 3.14 O ATOM 804 CB GLU A 52 1.741 9.461 0.807 1.00 62.01 C ATOM 805 CG GLU A 52 2.840 8.586 1.387 1.00 35.12 C ATOM 806 CD GLU A 52 2.441 7.945 2.703 1.00 41.15 C ATOM 807 OE1 GLU A 52 1.864 6.838 2.673 1.00 4.12 O ATOM 808 OE2 GLU A 52 2.707 8.552 3.762 1.00 72.44 O ATOM 0 H GLU A 52 0.374 8.745 -1.423 1.00 15.02 H new ATOM 0 HA GLU A 52 0.327 7.972 1.437 1.00 75.10 H new ATOM 0 HB2 GLU A 52 2.052 9.817 -0.175 1.00 62.01 H new ATOM 0 HB3 GLU A 52 1.616 10.340 1.440 1.00 62.01 H new ATOM 0 HG2 GLU A 52 3.095 7.806 0.670 1.00 35.12 H new ATOM 0 HG3 GLU A 52 3.737 9.187 1.537 1.00 35.12 H new ATOM 815 N PRO A 53 -0.994 10.087 2.160 1.00 32.32 N ATOM 816 CA PRO A 53 -2.054 11.030 2.530 1.00 71.53 C ATOM 817 C PRO A 53 -1.735 12.458 2.101 1.00 73.45 C ATOM 818 O PRO A 53 -2.104 12.885 1.007 1.00 31.43 O ATOM 819 CB PRO A 53 -2.103 10.928 4.056 1.00 3.13 C ATOM 820 CG PRO A 53 -0.739 10.474 4.449 1.00 12.33 C ATOM 821 CD PRO A 53 -0.261 9.585 3.335 1.00 55.02 C ATOM 0 HA PRO A 53 -3.000 10.792 2.043 1.00 71.53 H new ATOM 0 HB2 PRO A 53 -2.346 11.889 4.509 1.00 3.13 H new ATOM 0 HB3 PRO A 53 -2.865 10.220 4.381 1.00 3.13 H new ATOM 0 HG2 PRO A 53 -0.069 11.323 4.585 1.00 12.33 H new ATOM 0 HG3 PRO A 53 -0.765 9.934 5.395 1.00 12.33 H new ATOM 0 HD2 PRO A 53 0.818 9.658 3.197 1.00 55.02 H new ATOM 0 HD3 PRO A 53 -0.487 8.537 3.532 1.00 55.02 H new ATOM 829 N GLY A 54 -1.047 13.192 2.969 1.00 3.11 N ATOM 830 CA GLY A 54 -0.690 14.565 2.661 1.00 24.40 C ATOM 831 C GLY A 54 0.477 14.658 1.698 1.00 61.22 C ATOM 832 O GLY A 54 1.496 15.277 2.005 1.00 61.23 O ATOM 0 H GLY A 54 -0.730 12.861 3.880 1.00 3.11 H new ATOM 0 HA2 GLY A 54 -1.553 15.074 2.232 1.00 24.40 H new ATOM 0 HA3 GLY A 54 -0.438 15.088 3.584 1.00 24.40 H new ATOM 836 N ARG A 55 0.329 14.040 0.530 1.00 4.33 N ATOM 837 CA ARG A 55 1.381 14.054 -0.480 1.00 33.04 C ATOM 838 C ARG A 55 0.816 14.429 -1.847 1.00 4.12 C ATOM 839 O ARG A 55 1.424 15.197 -2.591 1.00 64.13 O ATOM 840 CB ARG A 55 2.063 12.687 -0.555 1.00 74.32 C ATOM 841 CG ARG A 55 3.463 12.671 0.034 1.00 4.25 C ATOM 842 CD ARG A 55 3.482 13.250 1.441 1.00 44.25 C ATOM 843 NE ARG A 55 4.662 12.827 2.191 1.00 52.32 N ATOM 844 CZ ARG A 55 4.767 12.925 3.511 1.00 34.44 C ATOM 845 NH1 ARG A 55 3.768 13.427 4.224 1.00 52.22 N ATOM 846 NH2 ARG A 55 5.872 12.518 4.122 1.00 3.02 N ATOM 0 H ARG A 55 -0.508 13.524 0.260 1.00 4.33 H new ATOM 0 HA ARG A 55 2.118 14.804 -0.192 1.00 33.04 H new ATOM 0 HB2 ARG A 55 1.449 11.955 -0.030 1.00 74.32 H new ATOM 0 HB3 ARG A 55 2.113 12.372 -1.597 1.00 74.32 H new ATOM 0 HG2 ARG A 55 3.838 11.648 0.055 1.00 4.25 H new ATOM 0 HG3 ARG A 55 4.135 13.244 -0.606 1.00 4.25 H new ATOM 0 HD2 ARG A 55 3.459 14.338 1.385 1.00 44.25 H new ATOM 0 HD3 ARG A 55 2.583 12.939 1.973 1.00 44.25 H new ATOM 0 HE ARG A 55 5.448 12.435 1.672 1.00 52.32 H new ATOM 0 HH11 ARG A 55 2.916 13.739 3.759 1.00 52.22 H new ATOM 0 HH12 ARG A 55 3.852 13.501 5.238 1.00 52.22 H new ATOM 0 HH21 ARG A 55 6.642 12.129 3.578 1.00 3.02 H new ATOM 0 HH22 ARG A 55 5.951 12.594 5.136 1.00 3.02 H new ATOM 860 N GLY A 56 -0.351 13.881 -2.170 1.00 60.24 N ATOM 861 CA GLY A 56 -0.977 14.169 -3.447 1.00 53.13 C ATOM 862 C GLY A 56 -2.033 15.251 -3.344 1.00 15.52 C ATOM 863 O GLY A 56 -2.838 15.257 -2.413 1.00 24.02 O ATOM 0 H GLY A 56 -0.874 13.243 -1.570 1.00 60.24 H new ATOM 0 HA2 GLY A 56 -0.213 14.478 -4.161 1.00 53.13 H new ATOM 0 HA3 GLY A 56 -1.431 13.259 -3.839 1.00 53.13 H new ATOM 867 N GLY A 57 -2.031 16.173 -4.303 1.00 21.42 N ATOM 868 CA GLY A 57 -2.999 17.253 -4.296 1.00 14.41 C ATOM 869 C GLY A 57 -4.417 16.760 -4.082 1.00 42.34 C ATOM 870 O GLY A 57 -5.227 17.433 -3.444 1.00 22.42 O ATOM 0 H GLY A 57 -1.376 16.190 -5.084 1.00 21.42 H new ATOM 0 HA2 GLY A 57 -2.742 17.962 -3.509 1.00 14.41 H new ATOM 0 HA3 GLY A 57 -2.944 17.792 -5.242 1.00 14.41 H new ATOM 874 N LYS A 58 -4.719 15.583 -4.619 1.00 52.24 N ATOM 875 CA LYS A 58 -6.049 15.000 -4.486 1.00 24.54 C ATOM 876 C LYS A 58 -6.109 14.053 -3.291 1.00 74.43 C ATOM 877 O LYS A 58 -7.182 13.788 -2.750 1.00 53.43 O ATOM 878 CB LYS A 58 -6.430 14.250 -5.764 1.00 71.11 C ATOM 879 CG LYS A 58 -6.947 15.155 -6.869 1.00 14.34 C ATOM 880 CD LYS A 58 -8.463 15.260 -6.840 1.00 30.22 C ATOM 881 CE LYS A 58 -8.920 16.549 -6.175 1.00 52.33 C ATOM 882 NZ LYS A 58 -10.197 17.050 -6.756 1.00 2.20 N ATOM 0 H LYS A 58 -4.060 15.014 -5.151 1.00 52.24 H new ATOM 0 HA LYS A 58 -6.760 15.810 -4.323 1.00 24.54 H new ATOM 0 HB2 LYS A 58 -5.559 13.706 -6.129 1.00 71.11 H new ATOM 0 HB3 LYS A 58 -7.193 13.508 -5.526 1.00 71.11 H new ATOM 0 HG2 LYS A 58 -6.510 16.148 -6.761 1.00 14.34 H new ATOM 0 HG3 LYS A 58 -6.626 14.769 -7.837 1.00 14.34 H new ATOM 0 HD2 LYS A 58 -8.851 15.217 -7.858 1.00 30.22 H new ATOM 0 HD3 LYS A 58 -8.878 14.406 -6.304 1.00 30.22 H new ATOM 0 HE2 LYS A 58 -9.049 16.380 -5.106 1.00 52.33 H new ATOM 0 HE3 LYS A 58 -8.147 17.309 -6.287 1.00 52.33 H new ATOM 0 HZ1 LYS A 58 -10.475 17.930 -6.276 1.00 2.20 H new ATOM 0 HZ2 LYS A 58 -10.067 17.235 -7.771 1.00 2.20 H new ATOM 0 HZ3 LYS A 58 -10.941 16.335 -6.627 1.00 2.20 H new ATOM 896 N GLY A 59 -4.950 13.545 -2.884 1.00 3.51 N ATOM 897 CA GLY A 59 -4.894 12.635 -1.755 1.00 62.14 C ATOM 898 C GLY A 59 -3.781 11.614 -1.888 1.00 42.53 C ATOM 899 O GLY A 59 -2.637 11.859 -1.505 1.00 23.44 O ATOM 0 H GLY A 59 -4.049 13.747 -3.316 1.00 3.51 H new ATOM 0 HA2 GLY A 59 -4.751 13.207 -0.838 1.00 62.14 H new ATOM 0 HA3 GLY A 59 -5.849 12.117 -1.662 1.00 62.14 H new ATOM 903 N PRO A 60 -4.113 10.439 -2.442 1.00 54.15 N ATOM 904 CA PRO A 60 -3.147 9.354 -2.637 1.00 32.14 C ATOM 905 C PRO A 60 -2.117 9.681 -3.712 1.00 24.31 C ATOM 906 O PRO A 60 -2.455 9.817 -4.887 1.00 54.11 O ATOM 907 CB PRO A 60 -4.021 8.175 -3.074 1.00 3.34 C ATOM 908 CG PRO A 60 -5.226 8.803 -3.683 1.00 74.12 C ATOM 909 CD PRO A 60 -5.458 10.079 -2.923 1.00 11.33 C ATOM 0 HA PRO A 60 -2.565 9.160 -1.736 1.00 32.14 H new ATOM 0 HB2 PRO A 60 -3.500 7.540 -3.791 1.00 3.34 H new ATOM 0 HB3 PRO A 60 -4.289 7.545 -2.226 1.00 3.34 H new ATOM 0 HG2 PRO A 60 -5.068 9.003 -4.743 1.00 74.12 H new ATOM 0 HG3 PRO A 60 -6.090 8.142 -3.609 1.00 74.12 H new ATOM 0 HD2 PRO A 60 -5.878 10.856 -3.561 1.00 11.33 H new ATOM 0 HD3 PRO A 60 -6.155 9.934 -2.097 1.00 11.33 H new ATOM 917 N GLN A 61 -0.859 9.804 -3.301 1.00 44.34 N ATOM 918 CA GLN A 61 0.221 10.115 -4.231 1.00 52.41 C ATOM 919 C GLN A 61 1.273 9.011 -4.233 1.00 12.31 C ATOM 920 O GLN A 61 1.386 8.247 -3.275 1.00 41.01 O ATOM 921 CB GLN A 61 0.868 11.452 -3.865 1.00 50.22 C ATOM 922 CG GLN A 61 2.338 11.540 -4.244 1.00 14.54 C ATOM 923 CD GLN A 61 2.922 12.918 -3.998 1.00 72.34 C ATOM 924 OE1 GLN A 61 2.468 13.908 -4.572 1.00 42.31 O ATOM 925 NE2 GLN A 61 3.934 12.988 -3.142 1.00 21.31 N ATOM 0 H GLN A 61 -0.562 9.693 -2.331 1.00 44.34 H new ATOM 0 HA GLN A 61 -0.205 10.187 -5.232 1.00 52.41 H new ATOM 0 HB2 GLN A 61 0.325 12.257 -4.360 1.00 50.22 H new ATOM 0 HB3 GLN A 61 0.768 11.613 -2.792 1.00 50.22 H new ATOM 0 HG2 GLN A 61 2.902 10.803 -3.672 1.00 14.54 H new ATOM 0 HG3 GLN A 61 2.454 11.283 -5.297 1.00 14.54 H new ATOM 0 HE21 GLN A 61 4.278 12.141 -2.689 1.00 21.31 H new ATOM 0 HE22 GLN A 61 4.367 13.888 -2.937 1.00 21.31 H new ATOM 934 N ALA A 62 2.040 8.934 -5.315 1.00 60.43 N ATOM 935 CA ALA A 62 3.084 7.924 -5.441 1.00 11.01 C ATOM 936 C ALA A 62 4.320 8.309 -4.635 1.00 50.22 C ATOM 937 O ALA A 62 5.417 8.428 -5.181 1.00 4.05 O ATOM 938 CB ALA A 62 3.448 7.720 -6.904 1.00 53.21 C ATOM 0 H ALA A 62 1.958 9.559 -6.117 1.00 60.43 H new ATOM 0 HA ALA A 62 2.698 6.987 -5.040 1.00 11.01 H new ATOM 0 HB1 ALA A 62 4.229 6.963 -6.983 1.00 53.21 H new ATOM 0 HB2 ALA A 62 2.567 7.391 -7.456 1.00 53.21 H new ATOM 0 HB3 ALA A 62 3.809 8.659 -7.323 1.00 53.21 H new ATOM 944 N LYS A 63 4.135 8.504 -3.334 1.00 2.11 N ATOM 945 CA LYS A 63 5.235 8.876 -2.452 1.00 30.44 C ATOM 946 C LYS A 63 6.473 8.034 -2.742 1.00 23.55 C ATOM 947 O LYS A 63 7.598 8.534 -2.712 1.00 71.23 O ATOM 948 CB LYS A 63 4.821 8.706 -0.988 1.00 3.40 C ATOM 949 CG LYS A 63 5.971 8.865 -0.009 1.00 24.14 C ATOM 950 CD LYS A 63 6.043 10.279 0.543 1.00 21.11 C ATOM 951 CE LYS A 63 6.291 11.296 -0.560 1.00 73.14 C ATOM 952 NZ LYS A 63 7.511 10.972 -1.350 1.00 21.32 N ATOM 0 H LYS A 63 3.233 8.411 -2.867 1.00 2.11 H new ATOM 0 HA LYS A 63 5.478 9.923 -2.636 1.00 30.44 H new ATOM 0 HB2 LYS A 63 4.049 9.437 -0.750 1.00 3.40 H new ATOM 0 HB3 LYS A 63 4.377 7.719 -0.857 1.00 3.40 H new ATOM 0 HG2 LYS A 63 5.851 8.159 0.812 1.00 24.14 H new ATOM 0 HG3 LYS A 63 6.910 8.619 -0.506 1.00 24.14 H new ATOM 0 HD2 LYS A 63 5.112 10.518 1.057 1.00 21.11 H new ATOM 0 HD3 LYS A 63 6.841 10.342 1.283 1.00 21.11 H new ATOM 0 HE2 LYS A 63 5.427 11.330 -1.224 1.00 73.14 H new ATOM 0 HE3 LYS A 63 6.395 12.289 -0.122 1.00 73.14 H new ATOM 0 HZ1 LYS A 63 7.732 11.763 -1.988 1.00 21.32 H new ATOM 0 HZ2 LYS A 63 8.311 10.815 -0.704 1.00 21.32 H new ATOM 0 HZ3 LYS A 63 7.344 10.112 -1.910 1.00 21.32 H new ATOM 966 N LYS A 64 6.260 6.753 -3.023 1.00 34.32 N ATOM 967 CA LYS A 64 7.358 5.841 -3.321 1.00 74.22 C ATOM 968 C LYS A 64 7.078 5.051 -4.596 1.00 10.21 C ATOM 969 O LYS A 64 6.271 4.121 -4.598 1.00 1.42 O ATOM 970 CB LYS A 64 7.581 4.879 -2.152 1.00 3.32 C ATOM 971 CG LYS A 64 9.028 4.801 -1.697 1.00 4.32 C ATOM 972 CD LYS A 64 9.734 3.591 -2.286 1.00 53.21 C ATOM 973 CE LYS A 64 9.275 2.301 -1.624 1.00 11.35 C ATOM 974 NZ LYS A 64 9.863 2.136 -0.265 1.00 71.24 N ATOM 0 H LYS A 64 5.336 6.322 -3.051 1.00 34.32 H new ATOM 0 HA LYS A 64 8.259 6.435 -3.472 1.00 74.22 H new ATOM 0 HB2 LYS A 64 6.961 5.191 -1.312 1.00 3.32 H new ATOM 0 HB3 LYS A 64 7.246 3.883 -2.443 1.00 3.32 H new ATOM 0 HG2 LYS A 64 9.553 5.709 -1.993 1.00 4.32 H new ATOM 0 HG3 LYS A 64 9.066 4.751 -0.609 1.00 4.32 H new ATOM 0 HD2 LYS A 64 9.539 3.541 -3.357 1.00 53.21 H new ATOM 0 HD3 LYS A 64 10.811 3.701 -2.163 1.00 53.21 H new ATOM 0 HE2 LYS A 64 8.187 2.296 -1.552 1.00 11.35 H new ATOM 0 HE3 LYS A 64 9.557 1.452 -2.247 1.00 11.35 H new ATOM 0 HZ1 LYS A 64 9.638 1.188 0.098 1.00 71.24 H new ATOM 0 HZ2 LYS A 64 10.895 2.250 -0.317 1.00 71.24 H new ATOM 0 HZ3 LYS A 64 9.467 2.855 0.374 1.00 71.24 H new ATOM 988 N VAL A 65 7.751 5.427 -5.679 1.00 20.20 N ATOM 989 CA VAL A 65 7.577 4.752 -6.960 1.00 32.14 C ATOM 990 C VAL A 65 8.800 3.911 -7.309 1.00 13.24 C ATOM 991 O VAL A 65 9.935 4.314 -7.056 1.00 43.45 O ATOM 992 CB VAL A 65 7.320 5.760 -8.095 1.00 53.41 C ATOM 993 CG1 VAL A 65 8.209 5.456 -9.291 1.00 53.12 C ATOM 994 CG2 VAL A 65 5.852 5.749 -8.495 1.00 11.33 C ATOM 0 H VAL A 65 8.422 6.195 -5.695 1.00 20.20 H new ATOM 0 HA VAL A 65 6.709 4.101 -6.859 1.00 32.14 H new ATOM 0 HB VAL A 65 7.567 6.758 -7.734 1.00 53.41 H new ATOM 0 HG11 VAL A 65 8.013 6.179 -10.083 1.00 53.12 H new ATOM 0 HG12 VAL A 65 9.255 5.520 -8.992 1.00 53.12 H new ATOM 0 HG13 VAL A 65 7.997 4.451 -9.656 1.00 53.12 H new ATOM 0 HG21 VAL A 65 5.688 6.467 -9.298 1.00 11.33 H new ATOM 0 HG22 VAL A 65 5.576 4.752 -8.838 1.00 11.33 H new ATOM 0 HG23 VAL A 65 5.239 6.020 -7.636 1.00 11.33 H new ATOM 1004 N ARG A 66 8.560 2.741 -7.891 1.00 32.23 N ATOM 1005 CA ARG A 66 9.642 1.842 -8.274 1.00 52.11 C ATOM 1006 C ARG A 66 9.464 1.359 -9.711 1.00 3.33 C ATOM 1007 O ARG A 66 8.346 1.100 -10.155 1.00 72.20 O ATOM 1008 CB ARG A 66 9.698 0.644 -7.325 1.00 64.52 C ATOM 1009 CG ARG A 66 10.462 0.919 -6.040 1.00 51.53 C ATOM 1010 CD ARG A 66 10.854 -0.371 -5.337 1.00 51.32 C ATOM 1011 NE ARG A 66 12.163 -0.853 -5.769 1.00 21.14 N ATOM 1012 CZ ARG A 66 13.307 -0.261 -5.446 1.00 25.05 C ATOM 1013 NH1 ARG A 66 13.304 0.830 -4.692 1.00 32.44 N ATOM 1014 NH2 ARG A 66 14.459 -0.760 -5.877 1.00 31.25 N ATOM 0 H ARG A 66 7.626 2.393 -8.108 1.00 32.23 H new ATOM 0 HA ARG A 66 10.580 2.393 -8.208 1.00 52.11 H new ATOM 0 HB2 ARG A 66 8.681 0.341 -7.075 1.00 64.52 H new ATOM 0 HB3 ARG A 66 10.163 -0.196 -7.841 1.00 64.52 H new ATOM 0 HG2 ARG A 66 11.357 1.498 -6.265 1.00 51.53 H new ATOM 0 HG3 ARG A 66 9.849 1.526 -5.374 1.00 51.53 H new ATOM 0 HD2 ARG A 66 10.865 -0.208 -4.259 1.00 51.32 H new ATOM 0 HD3 ARG A 66 10.103 -1.135 -5.536 1.00 51.32 H new ATOM 0 HE ARG A 66 12.201 -1.690 -6.351 1.00 21.14 H new ATOM 0 HH11 ARG A 66 12.421 1.217 -4.358 1.00 32.44 H new ATOM 0 HH12 ARG A 66 14.185 1.282 -4.446 1.00 32.44 H new ATOM 0 HH21 ARG A 66 14.466 -1.599 -6.457 1.00 31.25 H new ATOM 0 HH22 ARG A 66 15.337 -0.304 -5.628 1.00 31.25 H new ATOM 1028 N ARG A 67 10.575 1.242 -10.431 1.00 74.25 N ATOM 1029 CA ARG A 67 10.541 0.792 -11.818 1.00 5.11 C ATOM 1030 C ARG A 67 10.358 -0.721 -11.895 1.00 12.25 C ATOM 1031 O ARG A 67 11.010 -1.472 -11.169 1.00 61.44 O ATOM 1032 CB ARG A 67 11.828 1.198 -12.539 1.00 24.52 C ATOM 1033 CG ARG A 67 13.072 0.513 -11.996 1.00 21.11 C ATOM 1034 CD ARG A 67 14.332 1.293 -12.338 1.00 13.44 C ATOM 1035 NE ARG A 67 15.202 0.557 -13.250 1.00 74.54 N ATOM 1036 CZ ARG A 67 15.012 0.504 -14.564 1.00 43.02 C ATOM 1037 NH1 ARG A 67 13.990 1.142 -15.116 1.00 14.30 N ATOM 1038 NH2 ARG A 67 15.847 -0.188 -15.329 1.00 5.31 N ATOM 0 H ARG A 67 11.509 1.452 -10.078 1.00 74.25 H new ATOM 0 HA ARG A 67 9.692 1.268 -12.308 1.00 5.11 H new ATOM 0 HB2 ARG A 67 11.729 0.966 -13.599 1.00 24.52 H new ATOM 0 HB3 ARG A 67 11.954 2.278 -12.459 1.00 24.52 H new ATOM 0 HG2 ARG A 67 12.989 0.410 -10.914 1.00 21.11 H new ATOM 0 HG3 ARG A 67 13.143 -0.494 -12.407 1.00 21.11 H new ATOM 0 HD2 ARG A 67 14.057 2.246 -12.790 1.00 13.44 H new ATOM 0 HD3 ARG A 67 14.877 1.520 -11.422 1.00 13.44 H new ATOM 0 HE ARG A 67 15.999 0.056 -12.857 1.00 74.54 H new ATOM 0 HH11 ARG A 67 13.346 1.676 -14.532 1.00 14.30 H new ATOM 0 HH12 ARG A 67 13.847 1.099 -16.125 1.00 14.30 H new ATOM 0 HH21 ARG A 67 16.635 -0.680 -14.908 1.00 5.31 H new ATOM 0 HH22 ARG A 67 15.700 -0.228 -16.338 1.00 5.31 H new ATOM 1052 N ILE A 68 9.466 -1.159 -12.777 1.00 22.44 N ATOM 1053 CA ILE A 68 9.198 -2.582 -12.948 1.00 14.23 C ATOM 1054 C ILE A 68 9.013 -2.933 -14.420 1.00 64.11 C ATOM 1055 O ILE A 68 8.016 -2.560 -15.038 1.00 62.24 O ATOM 1056 CB ILE A 68 7.943 -3.016 -12.167 1.00 51.31 C ATOM 1057 CG1 ILE A 68 7.952 -2.405 -10.764 1.00 71.12 C ATOM 1058 CG2 ILE A 68 7.866 -4.533 -12.090 1.00 32.22 C ATOM 1059 CD1 ILE A 68 8.971 -3.032 -9.839 1.00 32.33 C ATOM 0 H ILE A 68 8.917 -0.550 -13.384 1.00 22.44 H new ATOM 0 HA ILE A 68 10.063 -3.116 -12.555 1.00 14.23 H new ATOM 0 HB ILE A 68 7.061 -2.653 -12.695 1.00 51.31 H new ATOM 0 HG12 ILE A 68 8.154 -1.337 -10.843 1.00 71.12 H new ATOM 0 HG13 ILE A 68 6.960 -2.511 -10.324 1.00 71.12 H new ATOM 0 HG21 ILE A 68 6.974 -4.824 -11.535 1.00 32.22 H new ATOM 0 HG22 ILE A 68 7.818 -4.946 -13.097 1.00 32.22 H new ATOM 0 HG23 ILE A 68 8.751 -4.917 -11.582 1.00 32.22 H new ATOM 0 HD11 ILE A 68 8.921 -2.550 -8.863 1.00 32.33 H new ATOM 0 HD12 ILE A 68 8.758 -4.095 -9.730 1.00 32.33 H new ATOM 0 HD13 ILE A 68 9.969 -2.903 -10.257 1.00 32.33 H new TER 1071 ILE A 68