USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 451 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= -0.161 (180deg=-0.164) USER MOD Single : A 10 ASN : amide:sc= -1.97 K(o=-2,f=-3.2) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0154 (180deg=-0.202) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -8.97! C(o=-9!,f=-12!) USER MOD Single : A 20 GLN : amide:sc= -2.29 K(o=-2.3,f=-5!) USER MOD Single : A 29 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-4.3!) USER MOD Single : A 31 THR OG1 : rot -39:sc= 0.0145 USER MOD Single : A 42 ASN : amide:sc= -0.0632 K(o=-0.063,f=-0.61) USER MOD Single : A 46 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.62) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -3.17 K(o=-3.2,f=-5.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= -0.414 (180deg=-1.51!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.214 -2.135 -2.119 1.00 11.42 N ATOM 19 CA LYS A 2 2.933 -3.378 -2.370 1.00 73.01 C ATOM 20 C LYS A 2 3.429 -3.438 -3.811 1.00 41.12 C ATOM 21 O LYS A 2 2.714 -3.063 -4.741 1.00 64.31 O ATOM 22 CB LYS A 2 2.031 -4.580 -2.080 1.00 1.04 C ATOM 23 CG LYS A 2 1.444 -4.576 -0.679 1.00 5.24 C ATOM 24 CD LYS A 2 2.485 -4.953 0.363 1.00 72.34 C ATOM 25 CE LYS A 2 1.853 -5.667 1.548 1.00 3.22 C ATOM 26 NZ LYS A 2 1.398 -4.709 2.594 1.00 71.14 N ATOM 0 HA LYS A 2 3.796 -3.410 -1.705 1.00 73.01 H new ATOM 0 HB2 LYS A 2 1.218 -4.597 -2.806 1.00 1.04 H new ATOM 0 HB3 LYS A 2 2.604 -5.496 -2.222 1.00 1.04 H new ATOM 0 HG2 LYS A 2 1.044 -3.587 -0.454 1.00 5.24 H new ATOM 0 HG3 LYS A 2 0.610 -5.276 -0.631 1.00 5.24 H new ATOM 0 HD2 LYS A 2 3.239 -5.596 -0.091 1.00 72.34 H new ATOM 0 HD3 LYS A 2 2.997 -4.055 0.709 1.00 72.34 H new ATOM 0 HE2 LYS A 2 1.005 -6.260 1.205 1.00 3.22 H new ATOM 0 HE3 LYS A 2 2.573 -6.361 1.980 1.00 3.22 H new ATOM 0 HZ1 LYS A 2 0.973 -5.234 3.385 1.00 71.14 H new ATOM 0 HZ2 LYS A 2 2.211 -4.161 2.940 1.00 71.14 H new ATOM 0 HZ3 LYS A 2 0.692 -4.062 2.189 1.00 71.14 H new ATOM 40 N LYS A 3 4.657 -3.913 -3.990 1.00 1.31 N ATOM 41 CA LYS A 3 5.249 -4.025 -5.318 1.00 11.23 C ATOM 42 C LYS A 3 5.560 -5.480 -5.654 1.00 1.24 C ATOM 43 O LYS A 3 5.916 -6.267 -4.778 1.00 13.25 O ATOM 44 CB LYS A 3 6.526 -3.186 -5.402 1.00 24.43 C ATOM 45 CG LYS A 3 6.392 -1.809 -4.776 1.00 41.23 C ATOM 46 CD LYS A 3 6.776 -1.824 -3.306 1.00 73.11 C ATOM 47 CE LYS A 3 7.350 -0.486 -2.866 1.00 21.20 C ATOM 48 NZ LYS A 3 7.906 -0.548 -1.486 1.00 21.41 N ATOM 0 H LYS A 3 5.262 -4.227 -3.231 1.00 1.31 H new ATOM 0 HA LYS A 3 4.527 -3.650 -6.043 1.00 11.23 H new ATOM 0 HB2 LYS A 3 7.336 -3.723 -4.909 1.00 24.43 H new ATOM 0 HB3 LYS A 3 6.809 -3.074 -6.449 1.00 24.43 H new ATOM 0 HG2 LYS A 3 7.026 -1.102 -5.311 1.00 41.23 H new ATOM 0 HG3 LYS A 3 5.365 -1.459 -4.881 1.00 41.23 H new ATOM 0 HD2 LYS A 3 5.900 -2.061 -2.702 1.00 73.11 H new ATOM 0 HD3 LYS A 3 7.508 -2.611 -3.128 1.00 73.11 H new ATOM 0 HE2 LYS A 3 8.133 -0.181 -3.560 1.00 21.20 H new ATOM 0 HE3 LYS A 3 6.571 0.275 -2.910 1.00 21.20 H new ATOM 0 HZ1 LYS A 3 8.287 0.383 -1.223 1.00 21.41 H new ATOM 0 HZ2 LYS A 3 7.153 -0.814 -0.820 1.00 21.41 H new ATOM 0 HZ3 LYS A 3 8.667 -1.256 -1.450 1.00 21.41 H new ATOM 62 N GLY A 4 5.425 -5.830 -6.929 1.00 71.12 N ATOM 63 CA GLY A 4 5.697 -7.190 -7.358 1.00 11.41 C ATOM 64 C GLY A 4 5.630 -7.347 -8.864 1.00 35.10 C ATOM 65 O GLY A 4 5.211 -6.432 -9.574 1.00 71.10 O ATOM 0 H GLY A 4 5.132 -5.196 -7.673 1.00 71.12 H new ATOM 0 HA2 GLY A 4 6.686 -7.487 -7.008 1.00 11.41 H new ATOM 0 HA3 GLY A 4 4.978 -7.865 -6.893 1.00 11.41 H new ATOM 69 N THR A 5 6.044 -8.511 -9.355 1.00 43.11 N ATOM 70 CA THR A 5 6.032 -8.784 -10.787 1.00 21.45 C ATOM 71 C THR A 5 4.612 -9.018 -11.290 1.00 1.44 C ATOM 72 O THR A 5 3.717 -9.359 -10.516 1.00 51.53 O ATOM 73 CB THR A 5 6.895 -10.013 -11.131 1.00 51.12 C ATOM 74 OG1 THR A 5 6.794 -10.990 -10.089 1.00 62.24 O ATOM 75 CG2 THR A 5 8.351 -9.615 -11.321 1.00 71.45 C ATOM 0 H THR A 5 6.392 -9.280 -8.782 1.00 43.11 H new ATOM 0 HA THR A 5 6.449 -7.906 -11.280 1.00 21.45 H new ATOM 0 HB THR A 5 6.526 -10.439 -12.064 1.00 51.12 H new ATOM 0 HG1 THR A 5 7.344 -11.769 -10.316 1.00 62.24 H new ATOM 0 HG21 THR A 5 8.941 -10.499 -11.563 1.00 71.45 H new ATOM 0 HG22 THR A 5 8.428 -8.893 -12.134 1.00 71.45 H new ATOM 0 HG23 THR A 5 8.729 -9.167 -10.402 1.00 71.45 H new ATOM 83 N VAL A 6 4.412 -8.832 -12.591 1.00 22.44 N ATOM 84 CA VAL A 6 3.100 -9.025 -13.198 1.00 5.35 C ATOM 85 C VAL A 6 3.014 -10.373 -13.903 1.00 33.41 C ATOM 86 O VAL A 6 3.888 -10.731 -14.692 1.00 71.44 O ATOM 87 CB VAL A 6 2.781 -7.908 -14.208 1.00 54.54 C ATOM 88 CG1 VAL A 6 3.692 -8.009 -15.422 1.00 54.33 C ATOM 89 CG2 VAL A 6 1.318 -7.967 -14.623 1.00 21.13 C ATOM 0 H VAL A 6 5.142 -8.548 -13.245 1.00 22.44 H new ATOM 0 HA VAL A 6 2.369 -8.994 -12.390 1.00 5.35 H new ATOM 0 HB VAL A 6 2.961 -6.946 -13.728 1.00 54.54 H new ATOM 0 HG11 VAL A 6 3.452 -7.211 -16.125 1.00 54.33 H new ATOM 0 HG12 VAL A 6 4.731 -7.914 -15.106 1.00 54.33 H new ATOM 0 HG13 VAL A 6 3.547 -8.975 -15.906 1.00 54.33 H new ATOM 0 HG21 VAL A 6 1.110 -7.170 -15.337 1.00 21.13 H new ATOM 0 HG22 VAL A 6 1.109 -8.932 -15.085 1.00 21.13 H new ATOM 0 HG23 VAL A 6 0.685 -7.841 -13.744 1.00 21.13 H new ATOM 99 N LYS A 7 1.953 -11.119 -13.613 1.00 54.04 N ATOM 100 CA LYS A 7 1.749 -12.429 -14.221 1.00 14.24 C ATOM 101 C LYS A 7 1.151 -12.294 -15.617 1.00 52.24 C ATOM 102 O LYS A 7 1.442 -13.093 -16.507 1.00 30.30 O ATOM 103 CB LYS A 7 0.832 -13.284 -13.342 1.00 41.34 C ATOM 104 CG LYS A 7 1.400 -14.656 -13.026 1.00 22.23 C ATOM 105 CD LYS A 7 1.346 -14.952 -11.536 1.00 44.22 C ATOM 106 CE LYS A 7 -0.083 -14.932 -11.015 1.00 45.22 C ATOM 107 NZ LYS A 7 -0.905 -16.022 -11.609 1.00 63.10 N ATOM 0 H LYS A 7 1.221 -10.839 -12.960 1.00 54.04 H new ATOM 0 HA LYS A 7 2.720 -12.917 -14.307 1.00 14.24 H new ATOM 0 HB2 LYS A 7 0.641 -12.755 -12.408 1.00 41.34 H new ATOM 0 HB3 LYS A 7 -0.129 -13.404 -13.843 1.00 41.34 H new ATOM 0 HG2 LYS A 7 0.840 -15.417 -13.570 1.00 22.23 H new ATOM 0 HG3 LYS A 7 2.432 -14.712 -13.372 1.00 22.23 H new ATOM 0 HD2 LYS A 7 1.792 -15.928 -11.341 1.00 44.22 H new ATOM 0 HD3 LYS A 7 1.942 -14.216 -10.996 1.00 44.22 H new ATOM 0 HE2 LYS A 7 -0.075 -15.033 -9.930 1.00 45.22 H new ATOM 0 HE3 LYS A 7 -0.539 -13.968 -11.242 1.00 45.22 H new ATOM 0 HZ1 LYS A 7 -1.867 -15.985 -11.216 1.00 63.10 H new ATOM 0 HZ2 LYS A 7 -0.948 -15.902 -12.641 1.00 63.10 H new ATOM 0 HZ3 LYS A 7 -0.475 -16.942 -11.385 1.00 63.10 H new ATOM 121 N TRP A 8 0.316 -11.278 -15.803 1.00 11.14 N ATOM 122 CA TRP A 8 -0.321 -11.038 -17.092 1.00 74.05 C ATOM 123 C TRP A 8 -1.077 -9.714 -17.088 1.00 75.03 C ATOM 124 O TRP A 8 -1.691 -9.342 -16.088 1.00 11.40 O ATOM 125 CB TRP A 8 -1.276 -12.183 -17.434 1.00 21.53 C ATOM 126 CG TRP A 8 -2.585 -12.102 -16.709 1.00 12.42 C ATOM 127 CD1 TRP A 8 -3.620 -11.253 -16.980 1.00 12.35 C ATOM 128 CD2 TRP A 8 -2.998 -12.898 -15.593 1.00 10.33 C ATOM 129 NE1 TRP A 8 -4.652 -11.473 -16.099 1.00 24.22 N ATOM 130 CE2 TRP A 8 -4.295 -12.478 -15.239 1.00 12.23 C ATOM 131 CE3 TRP A 8 -2.399 -13.926 -14.859 1.00 53.45 C ATOM 132 CZ2 TRP A 8 -5.000 -13.050 -14.183 1.00 74.13 C ATOM 133 CZ3 TRP A 8 -3.100 -14.492 -13.812 1.00 74.42 C ATOM 134 CH2 TRP A 8 -4.390 -14.054 -13.482 1.00 61.54 C ATOM 0 H TRP A 8 0.064 -10.607 -15.077 1.00 11.14 H new ATOM 0 HA TRP A 8 0.460 -10.987 -17.850 1.00 74.05 H new ATOM 0 HB2 TRP A 8 -1.463 -12.182 -18.508 1.00 21.53 H new ATOM 0 HB3 TRP A 8 -0.795 -13.131 -17.195 1.00 21.53 H new ATOM 0 HD1 TRP A 8 -3.627 -10.517 -17.770 1.00 12.35 H new ATOM 0 HE1 TRP A 8 -5.539 -10.970 -16.087 1.00 24.22 H new ATOM 0 HE3 TRP A 8 -1.406 -14.271 -15.106 1.00 53.45 H new ATOM 0 HZ2 TRP A 8 -5.993 -12.713 -13.926 1.00 74.13 H new ATOM 0 HZ3 TRP A 8 -2.646 -15.286 -13.238 1.00 74.42 H new ATOM 0 HH2 TRP A 8 -4.912 -14.518 -12.659 1.00 61.54 H new ATOM 145 N PHE A 9 -1.030 -9.007 -18.212 1.00 43.43 N ATOM 146 CA PHE A 9 -1.710 -7.723 -18.337 1.00 51.12 C ATOM 147 C PHE A 9 -2.339 -7.573 -19.719 1.00 43.24 C ATOM 148 O PHE A 9 -1.660 -7.235 -20.688 1.00 40.41 O ATOM 149 CB PHE A 9 -0.730 -6.576 -18.083 1.00 13.53 C ATOM 150 CG PHE A 9 -1.381 -5.222 -18.075 1.00 14.03 C ATOM 151 CD1 PHE A 9 -1.606 -4.540 -19.260 1.00 15.13 C ATOM 152 CD2 PHE A 9 -1.769 -4.632 -16.882 1.00 42.15 C ATOM 153 CE1 PHE A 9 -2.205 -3.294 -19.255 1.00 24.01 C ATOM 154 CE2 PHE A 9 -2.368 -3.386 -16.872 1.00 21.35 C ATOM 155 CZ PHE A 9 -2.587 -2.717 -18.060 1.00 21.04 C ATOM 0 H PHE A 9 -0.528 -9.302 -19.050 1.00 43.43 H new ATOM 0 HA PHE A 9 -2.503 -7.686 -17.590 1.00 51.12 H new ATOM 0 HB2 PHE A 9 -0.234 -6.738 -17.126 1.00 13.53 H new ATOM 0 HB3 PHE A 9 0.044 -6.594 -18.850 1.00 13.53 H new ATOM 0 HD1 PHE A 9 -1.310 -4.987 -20.198 1.00 15.13 H new ATOM 0 HD2 PHE A 9 -1.601 -5.151 -15.950 1.00 42.15 H new ATOM 0 HE1 PHE A 9 -2.374 -2.772 -20.185 1.00 24.01 H new ATOM 0 HE2 PHE A 9 -2.664 -2.936 -15.936 1.00 21.35 H new ATOM 0 HZ PHE A 9 -3.056 -1.744 -18.055 1.00 21.04 H new ATOM 165 N ASN A 10 -3.641 -7.828 -19.802 1.00 5.33 N ATOM 166 CA ASN A 10 -4.362 -7.722 -21.065 1.00 64.40 C ATOM 167 C ASN A 10 -4.685 -6.267 -21.387 1.00 42.51 C ATOM 168 O ASN A 10 -5.762 -5.771 -21.056 1.00 62.45 O ATOM 169 CB ASN A 10 -5.652 -8.543 -21.010 1.00 1.34 C ATOM 170 CG ASN A 10 -6.057 -9.076 -22.370 1.00 40.23 C ATOM 171 OD1 ASN A 10 -5.556 -8.625 -23.400 1.00 40.44 O ATOM 172 ND2 ASN A 10 -6.969 -10.041 -22.380 1.00 22.21 N ATOM 0 H ASN A 10 -4.218 -8.109 -19.009 1.00 5.33 H new ATOM 0 HA ASN A 10 -3.722 -8.116 -21.854 1.00 64.40 H new ATOM 0 HB2 ASN A 10 -5.519 -9.377 -20.321 1.00 1.34 H new ATOM 0 HB3 ASN A 10 -6.456 -7.925 -20.611 1.00 1.34 H new ATOM 0 HD21 ASN A 10 -7.281 -10.439 -23.266 1.00 22.21 H new ATOM 0 HD22 ASN A 10 -7.357 -10.385 -21.502 1.00 22.21 H new ATOM 179 N ALA A 11 -3.744 -5.587 -22.035 1.00 14.31 N ATOM 180 CA ALA A 11 -3.930 -4.189 -22.404 1.00 42.13 C ATOM 181 C ALA A 11 -5.167 -4.011 -23.278 1.00 32.34 C ATOM 182 O ALA A 11 -5.759 -2.933 -23.319 1.00 23.12 O ATOM 183 CB ALA A 11 -2.695 -3.665 -23.122 1.00 50.52 C ATOM 0 H ALA A 11 -2.846 -5.982 -22.315 1.00 14.31 H new ATOM 0 HA ALA A 11 -4.078 -3.614 -21.490 1.00 42.13 H new ATOM 0 HB1 ALA A 11 -2.847 -2.620 -23.392 1.00 50.52 H new ATOM 0 HB2 ALA A 11 -1.829 -3.748 -22.465 1.00 50.52 H new ATOM 0 HB3 ALA A 11 -2.523 -4.252 -24.024 1.00 50.52 H new ATOM 189 N GLU A 12 -5.552 -5.076 -23.974 1.00 61.04 N ATOM 190 CA GLU A 12 -6.719 -5.035 -24.848 1.00 63.52 C ATOM 191 C GLU A 12 -8.002 -4.884 -24.036 1.00 23.51 C ATOM 192 O GLU A 12 -8.953 -4.234 -24.471 1.00 24.35 O ATOM 193 CB GLU A 12 -6.789 -6.304 -25.702 1.00 4.54 C ATOM 194 CG GLU A 12 -6.155 -6.149 -27.074 1.00 73.21 C ATOM 195 CD GLU A 12 -6.426 -7.336 -27.979 1.00 14.35 C ATOM 196 OE1 GLU A 12 -7.605 -7.563 -28.323 1.00 42.44 O ATOM 197 OE2 GLU A 12 -5.459 -8.037 -28.341 1.00 70.45 O ATOM 0 H GLU A 12 -5.074 -5.977 -23.950 1.00 61.04 H new ATOM 0 HA GLU A 12 -6.620 -4.169 -25.503 1.00 63.52 H new ATOM 0 HB2 GLU A 12 -6.293 -7.117 -25.171 1.00 4.54 H new ATOM 0 HB3 GLU A 12 -7.833 -6.593 -25.824 1.00 4.54 H new ATOM 0 HG2 GLU A 12 -6.535 -5.243 -27.546 1.00 73.21 H new ATOM 0 HG3 GLU A 12 -5.078 -6.022 -26.960 1.00 73.21 H new ATOM 204 N LYS A 13 -8.021 -5.490 -22.854 1.00 31.44 N ATOM 205 CA LYS A 13 -9.185 -5.424 -21.978 1.00 75.25 C ATOM 206 C LYS A 13 -9.076 -4.246 -21.016 1.00 14.00 C ATOM 207 O LYS A 13 -10.070 -3.590 -20.707 1.00 54.15 O ATOM 208 CB LYS A 13 -9.332 -6.728 -21.191 1.00 22.13 C ATOM 209 CG LYS A 13 -9.197 -7.975 -22.048 1.00 3.14 C ATOM 210 CD LYS A 13 -10.356 -8.111 -23.020 1.00 70.33 C ATOM 211 CE LYS A 13 -11.583 -8.706 -22.346 1.00 3.34 C ATOM 212 NZ LYS A 13 -11.400 -10.151 -22.036 1.00 2.34 N ATOM 0 H LYS A 13 -7.243 -6.033 -22.480 1.00 31.44 H new ATOM 0 HA LYS A 13 -10.069 -5.281 -22.600 1.00 75.25 H new ATOM 0 HB2 LYS A 13 -8.578 -6.755 -20.404 1.00 22.13 H new ATOM 0 HB3 LYS A 13 -10.305 -6.738 -20.700 1.00 22.13 H new ATOM 0 HG2 LYS A 13 -8.259 -7.937 -22.602 1.00 3.14 H new ATOM 0 HG3 LYS A 13 -9.153 -8.855 -21.407 1.00 3.14 H new ATOM 0 HD2 LYS A 13 -10.604 -7.132 -23.431 1.00 70.33 H new ATOM 0 HD3 LYS A 13 -10.058 -8.742 -23.857 1.00 70.33 H new ATOM 0 HE2 LYS A 13 -11.792 -8.161 -21.426 1.00 3.34 H new ATOM 0 HE3 LYS A 13 -12.450 -8.581 -22.994 1.00 3.34 H new ATOM 0 HZ1 LYS A 13 -12.325 -10.583 -21.835 1.00 2.34 H new ATOM 0 HZ2 LYS A 13 -10.965 -10.629 -22.851 1.00 2.34 H new ATOM 0 HZ3 LYS A 13 -10.782 -10.252 -21.205 1.00 2.34 H new ATOM 226 N GLY A 14 -7.861 -3.982 -20.545 1.00 70.25 N ATOM 227 CA GLY A 14 -7.645 -2.882 -19.624 1.00 41.01 C ATOM 228 C GLY A 14 -7.531 -3.345 -18.185 1.00 44.32 C ATOM 229 O GLY A 14 -7.824 -2.590 -17.258 1.00 3.32 O ATOM 0 H GLY A 14 -7.022 -4.511 -20.785 1.00 70.25 H new ATOM 0 HA2 GLY A 14 -6.736 -2.350 -19.905 1.00 41.01 H new ATOM 0 HA3 GLY A 14 -8.468 -2.173 -19.710 1.00 41.01 H new ATOM 233 N TYR A 15 -7.105 -4.589 -17.998 1.00 32.02 N ATOM 234 CA TYR A 15 -6.957 -5.153 -16.661 1.00 50.04 C ATOM 235 C TYR A 15 -5.638 -5.909 -16.532 1.00 51.22 C ATOM 236 O TYR A 15 -4.926 -6.111 -17.515 1.00 11.50 O ATOM 237 CB TYR A 15 -8.126 -6.088 -16.347 1.00 12.21 C ATOM 238 CG TYR A 15 -9.434 -5.652 -16.968 1.00 40.12 C ATOM 239 CD1 TYR A 15 -9.986 -4.411 -16.673 1.00 73.51 C ATOM 240 CD2 TYR A 15 -10.118 -6.480 -17.849 1.00 63.42 C ATOM 241 CE1 TYR A 15 -11.181 -4.009 -17.238 1.00 33.13 C ATOM 242 CE2 TYR A 15 -11.312 -6.086 -18.420 1.00 13.23 C ATOM 243 CZ TYR A 15 -11.840 -4.849 -18.111 1.00 31.53 C ATOM 244 OH TYR A 15 -13.031 -4.453 -18.676 1.00 24.33 O ATOM 0 H TYR A 15 -6.856 -5.226 -18.755 1.00 32.02 H new ATOM 0 HA TYR A 15 -6.956 -4.331 -15.945 1.00 50.04 H new ATOM 0 HB2 TYR A 15 -7.883 -7.091 -16.699 1.00 12.21 H new ATOM 0 HB3 TYR A 15 -8.250 -6.151 -15.266 1.00 12.21 H new ATOM 0 HD1 TYR A 15 -9.472 -3.750 -15.991 1.00 73.51 H new ATOM 0 HD2 TYR A 15 -9.709 -7.449 -18.092 1.00 63.42 H new ATOM 0 HE1 TYR A 15 -11.597 -3.042 -16.997 1.00 33.13 H new ATOM 0 HE2 TYR A 15 -11.830 -6.742 -19.104 1.00 13.23 H new ATOM 0 HH TYR A 15 -13.363 -5.160 -19.268 1.00 24.33 H new ATOM 254 N GLY A 16 -5.319 -6.325 -15.310 1.00 73.33 N ATOM 255 CA GLY A 16 -4.087 -7.055 -15.073 1.00 53.21 C ATOM 256 C GLY A 16 -3.999 -7.599 -13.661 1.00 65.22 C ATOM 257 O GLY A 16 -4.801 -7.242 -12.799 1.00 10.34 O ATOM 0 H GLY A 16 -5.891 -6.170 -14.480 1.00 73.33 H new ATOM 0 HA2 GLY A 16 -4.015 -7.880 -15.782 1.00 53.21 H new ATOM 0 HA3 GLY A 16 -3.237 -6.398 -15.260 1.00 53.21 H new ATOM 261 N PHE A 17 -3.021 -8.468 -13.424 1.00 53.11 N ATOM 262 CA PHE A 17 -2.832 -9.065 -12.107 1.00 71.13 C ATOM 263 C PHE A 17 -1.365 -9.011 -11.691 1.00 60.44 C ATOM 264 O PHE A 17 -0.476 -9.365 -12.466 1.00 61.15 O ATOM 265 CB PHE A 17 -3.321 -10.515 -12.106 1.00 54.13 C ATOM 266 CG PHE A 17 -4.805 -10.647 -11.914 1.00 12.44 C ATOM 267 CD1 PHE A 17 -5.685 -10.210 -12.890 1.00 55.13 C ATOM 268 CD2 PHE A 17 -5.320 -11.207 -10.755 1.00 44.33 C ATOM 269 CE1 PHE A 17 -7.051 -10.330 -12.716 1.00 75.03 C ATOM 270 CE2 PHE A 17 -6.684 -11.330 -10.576 1.00 14.20 C ATOM 271 CZ PHE A 17 -7.551 -10.890 -11.557 1.00 54.20 C ATOM 0 H PHE A 17 -2.348 -8.774 -14.127 1.00 53.11 H new ATOM 0 HA PHE A 17 -3.417 -8.491 -11.388 1.00 71.13 H new ATOM 0 HB2 PHE A 17 -3.041 -10.985 -13.049 1.00 54.13 H new ATOM 0 HB3 PHE A 17 -2.810 -11.062 -11.314 1.00 54.13 H new ATOM 0 HD1 PHE A 17 -5.299 -9.770 -13.798 1.00 55.13 H new ATOM 0 HD2 PHE A 17 -4.647 -11.551 -9.983 1.00 44.33 H new ATOM 0 HE1 PHE A 17 -7.726 -9.986 -13.485 1.00 75.03 H new ATOM 0 HE2 PHE A 17 -7.072 -11.770 -9.669 1.00 14.20 H new ATOM 0 HZ PHE A 17 -8.618 -10.984 -11.418 1.00 54.20 H new ATOM 281 N ILE A 18 -1.120 -8.566 -10.464 1.00 33.24 N ATOM 282 CA ILE A 18 0.238 -8.467 -9.944 1.00 40.53 C ATOM 283 C ILE A 18 0.428 -9.364 -8.726 1.00 10.51 C ATOM 284 O ILE A 18 -0.515 -9.615 -7.976 1.00 23.11 O ATOM 285 CB ILE A 18 0.589 -7.017 -9.560 1.00 51.13 C ATOM 286 CG1 ILE A 18 0.389 -6.086 -10.758 1.00 64.33 C ATOM 287 CG2 ILE A 18 2.021 -6.935 -9.052 1.00 35.41 C ATOM 288 CD1 ILE A 18 0.064 -4.661 -10.369 1.00 31.31 C ATOM 0 H ILE A 18 -1.844 -8.268 -9.811 1.00 33.24 H new ATOM 0 HA ILE A 18 0.905 -8.795 -10.741 1.00 40.53 H new ATOM 0 HB ILE A 18 -0.079 -6.697 -8.760 1.00 51.13 H new ATOM 0 HG12 ILE A 18 1.294 -6.091 -11.366 1.00 64.33 H new ATOM 0 HG13 ILE A 18 -0.416 -6.476 -11.381 1.00 64.33 H new ATOM 0 HG21 ILE A 18 2.254 -5.904 -8.785 1.00 35.41 H new ATOM 0 HG22 ILE A 18 2.133 -7.571 -8.174 1.00 35.41 H new ATOM 0 HG23 ILE A 18 2.704 -7.270 -9.833 1.00 35.41 H new ATOM 0 HD11 ILE A 18 -0.064 -4.059 -11.268 1.00 31.31 H new ATOM 0 HD12 ILE A 18 -0.857 -4.644 -9.786 1.00 31.31 H new ATOM 0 HD13 ILE A 18 0.879 -4.252 -9.772 1.00 31.31 H new ATOM 300 N GLN A 19 1.653 -9.841 -8.535 1.00 25.21 N ATOM 301 CA GLN A 19 1.967 -10.709 -7.406 1.00 60.52 C ATOM 302 C GLN A 19 3.135 -10.153 -6.599 1.00 44.13 C ATOM 303 O GLN A 19 4.241 -9.998 -7.117 1.00 52.25 O ATOM 304 CB GLN A 19 2.297 -12.120 -7.897 1.00 71.20 C ATOM 305 CG GLN A 19 1.195 -12.746 -8.736 1.00 54.44 C ATOM 306 CD GLN A 19 1.047 -12.084 -10.092 1.00 54.42 C ATOM 307 OE1 GLN A 19 2.022 -11.920 -10.826 1.00 31.30 O ATOM 308 NE2 GLN A 19 -0.178 -11.698 -10.433 1.00 23.24 N ATOM 0 H GLN A 19 2.444 -9.641 -9.147 1.00 25.21 H new ATOM 0 HA GLN A 19 1.091 -10.752 -6.759 1.00 60.52 H new ATOM 0 HB2 GLN A 19 3.214 -12.086 -8.485 1.00 71.20 H new ATOM 0 HB3 GLN A 19 2.494 -12.759 -7.036 1.00 71.20 H new ATOM 0 HG2 GLN A 19 1.407 -13.806 -8.875 1.00 54.44 H new ATOM 0 HG3 GLN A 19 0.250 -12.678 -8.197 1.00 54.44 H new ATOM 0 HE21 GLN A 19 -0.958 -11.853 -9.794 1.00 23.24 H new ATOM 0 HE22 GLN A 19 -0.338 -11.246 -11.333 1.00 23.24 H new ATOM 317 N GLN A 20 2.882 -9.854 -5.329 1.00 61.23 N ATOM 318 CA GLN A 20 3.914 -9.314 -4.452 1.00 15.42 C ATOM 319 C GLN A 20 4.556 -10.420 -3.621 1.00 51.40 C ATOM 320 O GLN A 20 4.337 -11.604 -3.873 1.00 43.11 O ATOM 321 CB GLN A 20 3.321 -8.246 -3.530 1.00 72.23 C ATOM 322 CG GLN A 20 2.125 -8.732 -2.727 1.00 1.30 C ATOM 323 CD GLN A 20 1.992 -8.025 -1.393 1.00 4.44 C ATOM 324 OE1 GLN A 20 0.923 -7.520 -1.048 1.00 44.31 O ATOM 325 NE2 GLN A 20 3.081 -7.985 -0.633 1.00 14.43 N ATOM 0 H GLN A 20 1.972 -9.976 -4.885 1.00 61.23 H new ATOM 0 HA GLN A 20 4.684 -8.860 -5.075 1.00 15.42 H new ATOM 0 HB2 GLN A 20 4.094 -7.901 -2.843 1.00 72.23 H new ATOM 0 HB3 GLN A 20 3.021 -7.386 -4.129 1.00 72.23 H new ATOM 0 HG2 GLN A 20 1.216 -8.578 -3.308 1.00 1.30 H new ATOM 0 HG3 GLN A 20 2.217 -9.805 -2.558 1.00 1.30 H new ATOM 0 HE21 GLN A 20 3.946 -8.417 -0.958 1.00 14.43 H new ATOM 0 HE22 GLN A 20 3.052 -7.523 0.276 1.00 14.43 H new ATOM 397 N VAL A 26 -3.229 -9.619 -7.267 1.00 50.21 N ATOM 398 CA VAL A 26 -3.983 -8.410 -6.959 1.00 52.42 C ATOM 399 C VAL A 26 -4.801 -7.951 -8.161 1.00 74.22 C ATOM 400 O VAL A 26 -4.431 -8.199 -9.309 1.00 21.11 O ATOM 401 CB VAL A 26 -3.052 -7.264 -6.519 1.00 33.32 C ATOM 402 CG1 VAL A 26 -2.659 -6.407 -7.712 1.00 41.01 C ATOM 403 CG2 VAL A 26 -3.718 -6.421 -5.442 1.00 54.13 C ATOM 0 HA VAL A 26 -4.656 -8.658 -6.138 1.00 52.42 H new ATOM 0 HB VAL A 26 -2.144 -7.697 -6.099 1.00 33.32 H new ATOM 0 HG11 VAL A 26 -2.001 -5.603 -7.382 1.00 41.01 H new ATOM 0 HG12 VAL A 26 -2.139 -7.022 -8.446 1.00 41.01 H new ATOM 0 HG13 VAL A 26 -3.554 -5.981 -8.164 1.00 41.01 H new ATOM 0 HG21 VAL A 26 -3.047 -5.616 -5.143 1.00 54.13 H new ATOM 0 HG22 VAL A 26 -4.643 -5.996 -5.833 1.00 54.13 H new ATOM 0 HG23 VAL A 26 -3.943 -7.046 -4.578 1.00 54.13 H new ATOM 413 N PHE A 27 -5.916 -7.281 -7.890 1.00 51.41 N ATOM 414 CA PHE A 27 -6.788 -6.787 -8.950 1.00 32.14 C ATOM 415 C PHE A 27 -6.341 -5.407 -9.423 1.00 74.12 C ATOM 416 O PHE A 27 -6.382 -4.436 -8.668 1.00 55.30 O ATOM 417 CB PHE A 27 -8.237 -6.727 -8.460 1.00 43.42 C ATOM 418 CG PHE A 27 -9.242 -7.090 -9.516 1.00 23.35 C ATOM 419 CD1 PHE A 27 -9.116 -8.269 -10.234 1.00 11.43 C ATOM 420 CD2 PHE A 27 -10.312 -6.254 -9.789 1.00 32.40 C ATOM 421 CE1 PHE A 27 -10.039 -8.605 -11.206 1.00 30.23 C ATOM 422 CE2 PHE A 27 -11.239 -6.586 -10.760 1.00 4.13 C ATOM 423 CZ PHE A 27 -11.102 -7.764 -11.468 1.00 53.53 C ATOM 0 H PHE A 27 -6.237 -7.068 -6.946 1.00 51.41 H new ATOM 0 HA PHE A 27 -6.724 -7.478 -9.791 1.00 32.14 H new ATOM 0 HB2 PHE A 27 -8.354 -7.401 -7.612 1.00 43.42 H new ATOM 0 HB3 PHE A 27 -8.449 -5.721 -8.099 1.00 43.42 H new ATOM 0 HD1 PHE A 27 -8.288 -8.932 -10.032 1.00 11.43 H new ATOM 0 HD2 PHE A 27 -10.424 -5.332 -9.237 1.00 32.40 H new ATOM 0 HE1 PHE A 27 -9.929 -9.525 -11.761 1.00 30.23 H new ATOM 0 HE2 PHE A 27 -12.069 -5.925 -10.964 1.00 4.13 H new ATOM 0 HZ PHE A 27 -11.825 -8.027 -12.226 1.00 53.53 H new ATOM 433 N VAL A 28 -5.914 -5.329 -10.679 1.00 41.15 N ATOM 434 CA VAL A 28 -5.460 -4.069 -11.255 1.00 44.23 C ATOM 435 C VAL A 28 -6.247 -3.725 -12.515 1.00 0.54 C ATOM 436 O VAL A 28 -6.583 -4.603 -13.310 1.00 24.04 O ATOM 437 CB VAL A 28 -3.959 -4.117 -11.599 1.00 21.43 C ATOM 438 CG1 VAL A 28 -3.269 -5.230 -10.824 1.00 34.11 C ATOM 439 CG2 VAL A 28 -3.761 -4.297 -13.096 1.00 60.42 C ATOM 0 H VAL A 28 -5.873 -6.124 -11.317 1.00 41.15 H new ATOM 0 HA VAL A 28 -5.629 -3.299 -10.502 1.00 44.23 H new ATOM 0 HB VAL A 28 -3.507 -3.169 -11.307 1.00 21.43 H new ATOM 0 HG11 VAL A 28 -2.210 -5.249 -11.080 1.00 34.11 H new ATOM 0 HG12 VAL A 28 -3.381 -5.052 -9.754 1.00 34.11 H new ATOM 0 HG13 VAL A 28 -3.721 -6.188 -11.082 1.00 34.11 H new ATOM 0 HG21 VAL A 28 -2.695 -4.329 -13.321 1.00 60.42 H new ATOM 0 HG22 VAL A 28 -4.227 -5.229 -13.415 1.00 60.42 H new ATOM 0 HG23 VAL A 28 -4.219 -3.462 -13.627 1.00 60.42 H new ATOM 449 N HIS A 29 -6.539 -2.440 -12.691 1.00 2.34 N ATOM 450 CA HIS A 29 -7.287 -1.978 -13.855 1.00 25.11 C ATOM 451 C HIS A 29 -6.619 -0.757 -14.480 1.00 13.53 C ATOM 452 O HIS A 29 -5.860 -0.046 -13.821 1.00 25.43 O ATOM 453 CB HIS A 29 -8.726 -1.643 -13.463 1.00 21.00 C ATOM 454 CG HIS A 29 -9.635 -2.833 -13.448 1.00 30.23 C ATOM 455 ND1 HIS A 29 -10.867 -2.847 -14.066 1.00 52.15 N ATOM 456 CD2 HIS A 29 -9.485 -4.055 -12.885 1.00 4.00 C ATOM 457 CE1 HIS A 29 -11.436 -4.025 -13.884 1.00 32.14 C ATOM 458 NE2 HIS A 29 -10.617 -4.777 -13.170 1.00 55.20 N ATOM 0 H HIS A 29 -6.269 -1.700 -12.043 1.00 2.34 H new ATOM 0 HA HIS A 29 -7.298 -2.781 -14.592 1.00 25.11 H new ATOM 0 HB2 HIS A 29 -8.727 -1.183 -12.475 1.00 21.00 H new ATOM 0 HB3 HIS A 29 -9.121 -0.903 -14.159 1.00 21.00 H new ATOM 0 HD2 HIS A 29 -8.633 -4.398 -12.317 1.00 4.00 H new ATOM 0 HE1 HIS A 29 -12.405 -4.323 -14.255 1.00 32.14 H new ATOM 0 HE2 HIS A 29 -10.797 -5.738 -12.878 1.00 55.20 H new ATOM 466 N PHE A 30 -6.908 -0.518 -15.755 1.00 22.22 N ATOM 467 CA PHE A 30 -6.334 0.616 -16.469 1.00 54.52 C ATOM 468 C PHE A 30 -6.742 1.933 -15.815 1.00 10.30 C ATOM 469 O PHE A 30 -6.118 2.971 -16.039 1.00 52.31 O ATOM 470 CB PHE A 30 -6.779 0.602 -17.933 1.00 52.12 C ATOM 471 CG PHE A 30 -8.188 1.081 -18.136 1.00 52.33 C ATOM 472 CD1 PHE A 30 -9.263 0.296 -17.753 1.00 32.30 C ATOM 473 CD2 PHE A 30 -8.438 2.317 -18.711 1.00 45.12 C ATOM 474 CE1 PHE A 30 -10.561 0.734 -17.938 1.00 70.22 C ATOM 475 CE2 PHE A 30 -9.733 2.761 -18.898 1.00 70.44 C ATOM 476 CZ PHE A 30 -10.796 1.967 -18.513 1.00 11.54 C ATOM 0 H PHE A 30 -7.536 -1.095 -16.315 1.00 22.22 H new ATOM 0 HA PHE A 30 -5.248 0.529 -16.425 1.00 54.52 H new ATOM 0 HB2 PHE A 30 -6.103 1.228 -18.516 1.00 52.12 H new ATOM 0 HB3 PHE A 30 -6.689 -0.412 -18.322 1.00 52.12 H new ATOM 0 HD1 PHE A 30 -9.085 -0.670 -17.304 1.00 32.30 H new ATOM 0 HD2 PHE A 30 -7.611 2.941 -19.017 1.00 45.12 H new ATOM 0 HE1 PHE A 30 -11.390 0.113 -17.633 1.00 70.22 H new ATOM 0 HE2 PHE A 30 -9.914 3.728 -19.345 1.00 70.44 H new ATOM 0 HZ PHE A 30 -11.809 2.310 -18.662 1.00 11.54 H new ATOM 486 N THR A 31 -7.795 1.884 -15.004 1.00 63.34 N ATOM 487 CA THR A 31 -8.288 3.071 -14.319 1.00 2.35 C ATOM 488 C THR A 31 -7.606 3.248 -12.967 1.00 11.44 C ATOM 489 O THR A 31 -7.894 4.195 -12.235 1.00 34.32 O ATOM 490 CB THR A 31 -9.812 3.006 -14.107 1.00 72.23 C ATOM 491 OG1 THR A 31 -10.442 2.434 -15.259 1.00 32.40 O ATOM 492 CG2 THR A 31 -10.383 4.392 -13.847 1.00 64.22 C ATOM 0 H THR A 31 -8.322 1.034 -14.806 1.00 63.34 H new ATOM 0 HA THR A 31 -8.054 3.924 -14.956 1.00 2.35 H new ATOM 0 HB THR A 31 -10.009 2.381 -13.236 1.00 72.23 H new ATOM 0 HG1 THR A 31 -9.996 2.757 -16.070 1.00 32.40 H new ATOM 0 HG21 THR A 31 -11.461 4.320 -13.700 1.00 64.22 H new ATOM 0 HG22 THR A 31 -9.923 4.813 -12.953 1.00 64.22 H new ATOM 0 HG23 THR A 31 -10.175 5.037 -14.701 1.00 64.22 H new ATOM 500 N ALA A 32 -6.700 2.332 -12.641 1.00 51.05 N ATOM 501 CA ALA A 32 -5.975 2.389 -11.378 1.00 53.12 C ATOM 502 C ALA A 32 -4.479 2.569 -11.611 1.00 71.14 C ATOM 503 O ALA A 32 -3.751 3.011 -10.721 1.00 75.45 O ATOM 504 CB ALA A 32 -6.237 1.132 -10.562 1.00 62.33 C ATOM 0 H ALA A 32 -6.451 1.541 -13.235 1.00 51.05 H new ATOM 0 HA ALA A 32 -6.335 3.253 -10.820 1.00 53.12 H new ATOM 0 HB1 ALA A 32 -5.689 1.188 -9.621 1.00 62.33 H new ATOM 0 HB2 ALA A 32 -7.304 1.048 -10.356 1.00 62.33 H new ATOM 0 HB3 ALA A 32 -5.906 0.258 -11.123 1.00 62.33 H new ATOM 510 N ILE A 33 -4.026 2.224 -12.812 1.00 34.41 N ATOM 511 CA ILE A 33 -2.617 2.348 -13.161 1.00 63.31 C ATOM 512 C ILE A 33 -2.170 3.806 -13.135 1.00 31.43 C ATOM 513 O ILE A 33 -2.765 4.659 -13.792 1.00 72.42 O ATOM 514 CB ILE A 33 -2.328 1.759 -14.555 1.00 1.23 C ATOM 515 CG1 ILE A 33 -2.459 0.235 -14.526 1.00 12.02 C ATOM 516 CG2 ILE A 33 -0.940 2.168 -15.025 1.00 70.10 C ATOM 517 CD1 ILE A 33 -2.928 -0.356 -15.837 1.00 64.10 C ATOM 0 H ILE A 33 -4.615 1.856 -13.559 1.00 34.41 H new ATOM 0 HA ILE A 33 -2.057 1.785 -12.414 1.00 63.31 H new ATOM 0 HB ILE A 33 -3.060 2.154 -15.259 1.00 1.23 H new ATOM 0 HG12 ILE A 33 -1.494 -0.200 -14.265 1.00 12.02 H new ATOM 0 HG13 ILE A 33 -3.158 -0.047 -13.739 1.00 12.02 H new ATOM 0 HG21 ILE A 33 -0.750 1.744 -16.011 1.00 70.10 H new ATOM 0 HG22 ILE A 33 -0.880 3.255 -15.079 1.00 70.10 H new ATOM 0 HG23 ILE A 33 -0.194 1.798 -14.322 1.00 70.10 H new ATOM 0 HD11 ILE A 33 -2.998 -1.440 -15.743 1.00 64.10 H new ATOM 0 HD12 ILE A 33 -3.907 0.050 -16.090 1.00 64.10 H new ATOM 0 HD13 ILE A 33 -2.217 -0.105 -16.624 1.00 64.10 H new ATOM 529 N GLU A 34 -1.117 4.083 -12.372 1.00 35.34 N ATOM 530 CA GLU A 34 -0.591 5.438 -12.261 1.00 24.10 C ATOM 531 C GLU A 34 0.768 5.551 -12.946 1.00 24.12 C ATOM 532 O GLU A 34 1.809 5.349 -12.321 1.00 31.13 O ATOM 533 CB GLU A 34 -0.468 5.843 -10.791 1.00 33.15 C ATOM 534 CG GLU A 34 -1.749 5.646 -9.996 1.00 65.43 C ATOM 535 CD GLU A 34 -2.362 6.956 -9.543 1.00 42.43 C ATOM 536 OE1 GLU A 34 -2.890 7.692 -10.403 1.00 42.14 O ATOM 537 OE2 GLU A 34 -2.314 7.247 -8.330 1.00 24.42 O ATOM 0 H GLU A 34 -0.612 3.388 -11.822 1.00 35.34 H new ATOM 0 HA GLU A 34 -1.288 6.113 -12.759 1.00 24.10 H new ATOM 0 HB2 GLU A 34 0.330 5.262 -10.328 1.00 33.15 H new ATOM 0 HB3 GLU A 34 -0.173 6.891 -10.735 1.00 33.15 H new ATOM 0 HG2 GLU A 34 -2.471 5.103 -10.606 1.00 65.43 H new ATOM 0 HG3 GLU A 34 -1.539 5.027 -9.124 1.00 65.43 H new ATOM 631 N LEU A 41 1.660 -2.994 -19.556 1.00 74.52 N ATOM 632 CA LEU A 41 2.663 -3.724 -18.788 1.00 73.24 C ATOM 633 C LEU A 41 3.130 -4.965 -19.543 1.00 51.40 C ATOM 634 O LEU A 41 2.479 -5.411 -20.486 1.00 72.15 O ATOM 635 CB LEU A 41 2.097 -4.126 -17.425 1.00 2.51 C ATOM 636 CG LEU A 41 1.277 -3.059 -16.698 1.00 23.00 C ATOM 637 CD1 LEU A 41 0.874 -3.546 -15.315 1.00 22.31 C ATOM 638 CD2 LEU A 41 2.061 -1.759 -16.600 1.00 4.43 C ATOM 0 HA LEU A 41 3.520 -3.067 -18.640 1.00 73.24 H new ATOM 0 HB2 LEU A 41 1.471 -5.008 -17.560 1.00 2.51 H new ATOM 0 HB3 LEU A 41 2.926 -4.419 -16.782 1.00 2.51 H new ATOM 0 HG LEU A 41 0.370 -2.871 -17.273 1.00 23.00 H new ATOM 0 HD11 LEU A 41 0.291 -2.774 -14.813 1.00 22.31 H new ATOM 0 HD12 LEU A 41 0.273 -4.451 -15.409 1.00 22.31 H new ATOM 0 HD13 LEU A 41 1.768 -3.763 -14.731 1.00 22.31 H new ATOM 0 HD21 LEU A 41 1.462 -1.011 -16.080 1.00 4.43 H new ATOM 0 HD22 LEU A 41 2.985 -1.932 -16.048 1.00 4.43 H new ATOM 0 HD23 LEU A 41 2.298 -1.401 -17.602 1.00 4.43 H new ATOM 650 N ASN A 42 4.262 -5.518 -19.119 1.00 14.31 N ATOM 651 CA ASN A 42 4.815 -6.708 -19.754 1.00 23.23 C ATOM 652 C ASN A 42 5.020 -7.824 -18.733 1.00 42.41 C ATOM 653 O ASN A 42 5.650 -7.620 -17.696 1.00 23.41 O ATOM 654 CB ASN A 42 6.144 -6.376 -20.437 1.00 34.43 C ATOM 655 CG ASN A 42 6.108 -5.040 -21.152 1.00 52.32 C ATOM 656 OD1 ASN A 42 6.152 -3.984 -20.521 1.00 11.22 O ATOM 657 ND2 ASN A 42 6.027 -5.080 -22.477 1.00 61.01 N ATOM 0 H ASN A 42 4.814 -5.161 -18.339 1.00 14.31 H new ATOM 0 HA ASN A 42 4.104 -7.053 -20.505 1.00 23.23 H new ATOM 0 HB2 ASN A 42 6.940 -6.365 -19.692 1.00 34.43 H new ATOM 0 HB3 ASN A 42 6.388 -7.161 -21.152 1.00 34.43 H new ATOM 0 HD21 ASN A 42 5.999 -4.212 -23.013 1.00 61.01 H new ATOM 0 HD22 ASN A 42 5.993 -5.978 -22.959 1.00 61.01 H new ATOM 664 N GLU A 43 4.484 -9.002 -19.036 1.00 53.41 N ATOM 665 CA GLU A 43 4.608 -10.149 -18.145 1.00 11.24 C ATOM 666 C GLU A 43 6.066 -10.383 -17.759 1.00 14.54 C ATOM 667 O GLU A 43 6.943 -10.456 -18.618 1.00 74.32 O ATOM 668 CB GLU A 43 4.037 -11.403 -18.809 1.00 64.42 C ATOM 669 CG GLU A 43 4.214 -12.665 -17.981 1.00 44.10 C ATOM 670 CD GLU A 43 3.844 -13.921 -18.745 1.00 61.22 C ATOM 671 OE1 GLU A 43 4.418 -14.147 -19.831 1.00 23.03 O ATOM 672 OE2 GLU A 43 2.980 -14.679 -18.257 1.00 15.24 O ATOM 0 H GLU A 43 3.960 -9.187 -19.891 1.00 53.41 H new ATOM 0 HA GLU A 43 4.040 -9.936 -17.239 1.00 11.24 H new ATOM 0 HB2 GLU A 43 2.975 -11.251 -19.001 1.00 64.42 H new ATOM 0 HB3 GLU A 43 4.519 -11.543 -19.777 1.00 64.42 H new ATOM 0 HG2 GLU A 43 5.251 -12.737 -17.652 1.00 44.10 H new ATOM 0 HG3 GLU A 43 3.599 -12.596 -17.084 1.00 44.10 H new ATOM 679 N GLY A 44 6.316 -10.498 -16.458 1.00 3.42 N ATOM 680 CA GLY A 44 7.668 -10.721 -15.980 1.00 2.12 C ATOM 681 C GLY A 44 8.307 -9.458 -15.438 1.00 4.13 C ATOM 682 O GLY A 44 9.330 -9.516 -14.756 1.00 31.34 O ATOM 0 H GLY A 44 5.607 -10.441 -15.727 1.00 3.42 H new ATOM 0 HA2 GLY A 44 7.653 -11.481 -15.199 1.00 2.12 H new ATOM 0 HA3 GLY A 44 8.278 -11.113 -16.794 1.00 2.12 H new ATOM 686 N GLU A 45 7.705 -8.313 -15.743 1.00 74.11 N ATOM 687 CA GLU A 45 8.224 -7.031 -15.283 1.00 40.43 C ATOM 688 C GLU A 45 7.708 -6.704 -13.885 1.00 35.21 C ATOM 689 O GLU A 45 6.686 -7.235 -13.449 1.00 33.33 O ATOM 690 CB GLU A 45 7.831 -5.917 -16.257 1.00 20.43 C ATOM 691 CG GLU A 45 8.489 -4.582 -15.952 1.00 33.01 C ATOM 692 CD GLU A 45 8.875 -3.822 -17.206 1.00 24.40 C ATOM 693 OE1 GLU A 45 9.878 -4.205 -17.845 1.00 72.02 O ATOM 694 OE2 GLU A 45 8.177 -2.846 -17.548 1.00 55.20 O ATOM 0 H GLU A 45 6.857 -8.247 -16.307 1.00 74.11 H new ATOM 0 HA GLU A 45 9.311 -7.102 -15.243 1.00 40.43 H new ATOM 0 HB2 GLU A 45 8.097 -6.221 -17.270 1.00 20.43 H new ATOM 0 HB3 GLU A 45 6.748 -5.792 -16.236 1.00 20.43 H new ATOM 0 HG2 GLU A 45 7.808 -3.973 -15.358 1.00 33.01 H new ATOM 0 HG3 GLU A 45 9.379 -4.750 -15.345 1.00 33.01 H new ATOM 701 N HIS A 46 8.422 -5.827 -13.186 1.00 73.24 N ATOM 702 CA HIS A 46 8.036 -5.429 -11.837 1.00 63.31 C ATOM 703 C HIS A 46 7.214 -4.144 -11.864 1.00 25.15 C ATOM 704 O HIS A 46 7.508 -3.223 -12.626 1.00 32.10 O ATOM 705 CB HIS A 46 9.278 -5.237 -10.965 1.00 55.13 C ATOM 706 CG HIS A 46 10.487 -5.956 -11.479 1.00 2.55 C ATOM 707 ND1 HIS A 46 10.766 -7.271 -11.175 1.00 22.32 N ATOM 708 CD2 HIS A 46 11.493 -5.535 -12.281 1.00 52.20 C ATOM 709 CE1 HIS A 46 11.892 -7.628 -11.767 1.00 30.32 C ATOM 710 NE2 HIS A 46 12.353 -6.593 -12.445 1.00 12.31 N ATOM 0 H HIS A 46 9.271 -5.379 -13.531 1.00 73.24 H new ATOM 0 HA HIS A 46 7.422 -6.223 -11.412 1.00 63.31 H new ATOM 0 HB2 HIS A 46 9.501 -4.172 -10.894 1.00 55.13 H new ATOM 0 HB3 HIS A 46 9.060 -5.585 -9.955 1.00 55.13 H new ATOM 0 HD2 HIS A 46 11.599 -4.550 -12.712 1.00 52.20 H new ATOM 0 HE1 HIS A 46 12.356 -8.601 -11.707 1.00 30.32 H new ATOM 0 HE2 HIS A 46 13.209 -6.581 -13.000 1.00 12.31 H new ATOM 718 N VAL A 47 6.183 -4.089 -11.026 1.00 64.33 N ATOM 719 CA VAL A 47 5.319 -2.917 -10.953 1.00 62.35 C ATOM 720 C VAL A 47 4.684 -2.788 -9.574 1.00 3.45 C ATOM 721 O VAL A 47 4.290 -3.782 -8.966 1.00 13.03 O ATOM 722 CB VAL A 47 4.205 -2.974 -12.016 1.00 24.33 C ATOM 723 CG1 VAL A 47 4.802 -2.995 -13.415 1.00 21.13 C ATOM 724 CG2 VAL A 47 3.315 -4.187 -11.789 1.00 11.41 C ATOM 0 H VAL A 47 5.926 -4.843 -10.388 1.00 64.33 H new ATOM 0 HA VAL A 47 5.948 -2.047 -11.143 1.00 62.35 H new ATOM 0 HB VAL A 47 3.591 -2.078 -11.923 1.00 24.33 H new ATOM 0 HG11 VAL A 47 4.000 -3.035 -14.152 1.00 21.13 H new ATOM 0 HG12 VAL A 47 5.394 -2.093 -13.572 1.00 21.13 H new ATOM 0 HG13 VAL A 47 5.440 -3.872 -13.525 1.00 21.13 H new ATOM 0 HG21 VAL A 47 2.533 -4.212 -12.548 1.00 11.41 H new ATOM 0 HG22 VAL A 47 3.914 -5.095 -11.855 1.00 11.41 H new ATOM 0 HG23 VAL A 47 2.859 -4.124 -10.801 1.00 11.41 H new ATOM 734 N GLU A 48 4.589 -1.555 -9.085 1.00 52.35 N ATOM 735 CA GLU A 48 4.001 -1.296 -7.776 1.00 44.52 C ATOM 736 C GLU A 48 2.480 -1.221 -7.868 1.00 0.44 C ATOM 737 O GLU A 48 1.922 -0.984 -8.939 1.00 42.03 O ATOM 738 CB GLU A 48 4.553 0.008 -7.194 1.00 61.50 C ATOM 739 CG GLU A 48 6.047 0.186 -7.409 1.00 33.23 C ATOM 740 CD GLU A 48 6.639 1.263 -6.521 1.00 42.11 C ATOM 741 OE1 GLU A 48 6.552 1.125 -5.283 1.00 11.01 O ATOM 742 OE2 GLU A 48 7.190 2.244 -7.064 1.00 35.41 O ATOM 0 H GLU A 48 4.911 -0.721 -9.575 1.00 52.35 H new ATOM 0 HA GLU A 48 4.267 -2.122 -7.116 1.00 44.52 H new ATOM 0 HB2 GLU A 48 4.027 0.849 -7.645 1.00 61.50 H new ATOM 0 HB3 GLU A 48 4.342 0.037 -6.125 1.00 61.50 H new ATOM 0 HG2 GLU A 48 6.554 -0.759 -7.214 1.00 33.23 H new ATOM 0 HG3 GLU A 48 6.233 0.438 -8.453 1.00 33.23 H new ATOM 749 N PHE A 49 1.814 -1.425 -6.736 1.00 5.44 N ATOM 750 CA PHE A 49 0.358 -1.382 -6.687 1.00 33.00 C ATOM 751 C PHE A 49 -0.134 -1.224 -5.251 1.00 72.32 C ATOM 752 O PHE A 49 0.297 -1.947 -4.354 1.00 21.51 O ATOM 753 CB PHE A 49 -0.232 -2.652 -7.303 1.00 63.52 C ATOM 754 CG PHE A 49 0.142 -3.906 -6.565 1.00 12.13 C ATOM 755 CD1 PHE A 49 1.345 -4.544 -6.820 1.00 1.42 C ATOM 756 CD2 PHE A 49 -0.711 -4.447 -5.616 1.00 2.32 C ATOM 757 CE1 PHE A 49 1.692 -5.697 -6.142 1.00 20.13 C ATOM 758 CE2 PHE A 49 -0.369 -5.600 -4.934 1.00 51.53 C ATOM 759 CZ PHE A 49 0.833 -6.226 -5.198 1.00 62.24 C ATOM 0 H PHE A 49 2.260 -1.622 -5.840 1.00 5.44 H new ATOM 0 HA PHE A 49 0.026 -0.519 -7.263 1.00 33.00 H new ATOM 0 HB2 PHE A 49 -1.318 -2.564 -7.326 1.00 63.52 H new ATOM 0 HB3 PHE A 49 0.104 -2.735 -8.337 1.00 63.52 H new ATOM 0 HD1 PHE A 49 2.020 -4.135 -7.558 1.00 1.42 H new ATOM 0 HD2 PHE A 49 -1.653 -3.963 -5.407 1.00 2.32 H new ATOM 0 HE1 PHE A 49 2.633 -6.184 -6.350 1.00 20.13 H new ATOM 0 HE2 PHE A 49 -1.041 -6.011 -4.195 1.00 51.53 H new ATOM 0 HZ PHE A 49 1.101 -7.128 -4.667 1.00 62.24 H new ATOM 769 N GLU A 50 -1.039 -0.273 -5.043 1.00 72.01 N ATOM 770 CA GLU A 50 -1.589 -0.019 -3.716 1.00 64.34 C ATOM 771 C GLU A 50 -2.941 -0.705 -3.547 1.00 54.15 C ATOM 772 O GLU A 50 -3.965 -0.207 -4.017 1.00 31.42 O ATOM 773 CB GLU A 50 -1.734 1.485 -3.479 1.00 41.34 C ATOM 774 CG GLU A 50 -0.461 2.149 -2.981 1.00 70.31 C ATOM 775 CD GLU A 50 0.756 1.766 -3.801 1.00 31.32 C ATOM 776 OE1 GLU A 50 1.223 0.615 -3.666 1.00 53.23 O ATOM 777 OE2 GLU A 50 1.241 2.616 -4.576 1.00 23.20 O ATOM 0 H GLU A 50 -1.407 0.334 -5.776 1.00 72.01 H new ATOM 0 HA GLU A 50 -0.898 -0.430 -2.980 1.00 64.34 H new ATOM 0 HB2 GLU A 50 -2.043 1.963 -4.409 1.00 41.34 H new ATOM 0 HB3 GLU A 50 -2.530 1.655 -2.754 1.00 41.34 H new ATOM 0 HG2 GLU A 50 -0.586 3.231 -3.007 1.00 70.31 H new ATOM 0 HG3 GLU A 50 -0.295 1.872 -1.940 1.00 70.31 H new ATOM 784 N VAL A 51 -2.938 -1.851 -2.874 1.00 65.01 N ATOM 785 CA VAL A 51 -4.163 -2.606 -2.642 1.00 53.42 C ATOM 786 C VAL A 51 -5.129 -1.826 -1.757 1.00 30.55 C ATOM 787 O VAL A 51 -4.769 -1.388 -0.665 1.00 24.33 O ATOM 788 CB VAL A 51 -3.868 -3.968 -1.987 1.00 12.11 C ATOM 789 CG1 VAL A 51 -2.895 -4.770 -2.837 1.00 71.12 C ATOM 790 CG2 VAL A 51 -3.325 -3.775 -0.579 1.00 52.10 C ATOM 0 H VAL A 51 -2.100 -2.277 -2.479 1.00 65.01 H new ATOM 0 HA VAL A 51 -4.622 -2.773 -3.617 1.00 53.42 H new ATOM 0 HB VAL A 51 -4.800 -4.528 -1.919 1.00 12.11 H new ATOM 0 HG11 VAL A 51 -2.699 -5.729 -2.358 1.00 71.12 H new ATOM 0 HG12 VAL A 51 -3.327 -4.939 -3.823 1.00 71.12 H new ATOM 0 HG13 VAL A 51 -1.961 -4.218 -2.940 1.00 71.12 H new ATOM 0 HG21 VAL A 51 -3.122 -4.748 -0.131 1.00 52.10 H new ATOM 0 HG22 VAL A 51 -2.403 -3.195 -0.621 1.00 52.10 H new ATOM 0 HG23 VAL A 51 -4.061 -3.244 0.025 1.00 52.10 H new ATOM 800 N GLU A 52 -6.358 -1.658 -2.235 1.00 21.41 N ATOM 801 CA GLU A 52 -7.376 -0.931 -1.486 1.00 22.23 C ATOM 802 C GLU A 52 -8.509 -1.862 -1.063 1.00 50.22 C ATOM 803 O GLU A 52 -8.696 -2.945 -1.618 1.00 21.14 O ATOM 804 CB GLU A 52 -7.933 0.221 -2.325 1.00 30.42 C ATOM 805 CG GLU A 52 -7.175 1.525 -2.147 1.00 42.33 C ATOM 806 CD GLU A 52 -7.083 1.954 -0.696 1.00 13.04 C ATOM 807 OE1 GLU A 52 -6.119 1.544 -0.016 1.00 61.23 O ATOM 808 OE2 GLU A 52 -7.975 2.699 -0.239 1.00 73.10 O ATOM 0 H GLU A 52 -6.673 -2.015 -3.137 1.00 21.41 H new ATOM 0 HA GLU A 52 -6.909 -0.524 -0.589 1.00 22.23 H new ATOM 0 HB2 GLU A 52 -7.909 -0.062 -3.377 1.00 30.42 H new ATOM 0 HB3 GLU A 52 -8.979 0.379 -2.061 1.00 30.42 H new ATOM 0 HG2 GLU A 52 -6.170 1.415 -2.554 1.00 42.33 H new ATOM 0 HG3 GLU A 52 -7.668 2.308 -2.723 1.00 42.33 H new ATOM 815 N PRO A 53 -9.284 -1.431 -0.057 1.00 0.22 N ATOM 816 CA PRO A 53 -10.412 -2.209 0.463 1.00 20.41 C ATOM 817 C PRO A 53 -11.570 -2.284 -0.526 1.00 63.35 C ATOM 818 O PRO A 53 -11.629 -3.187 -1.360 1.00 50.13 O ATOM 819 CB PRO A 53 -10.829 -1.436 1.717 1.00 70.15 C ATOM 820 CG PRO A 53 -10.377 -0.039 1.467 1.00 4.35 C ATOM 821 CD PRO A 53 -9.119 -0.150 0.651 1.00 50.14 C ATOM 0 HA PRO A 53 -10.136 -3.246 0.657 1.00 20.41 H new ATOM 0 HB2 PRO A 53 -11.907 -1.482 1.870 1.00 70.15 H new ATOM 0 HB3 PRO A 53 -10.362 -1.850 2.611 1.00 70.15 H new ATOM 0 HG2 PRO A 53 -11.140 0.528 0.933 1.00 4.35 H new ATOM 0 HG3 PRO A 53 -10.189 0.484 2.405 1.00 4.35 H new ATOM 0 HD2 PRO A 53 -9.016 0.683 -0.044 1.00 50.14 H new ATOM 0 HD3 PRO A 53 -8.230 -0.151 1.281 1.00 50.14 H new ATOM 829 N GLY A 54 -12.489 -1.329 -0.428 1.00 51.44 N ATOM 830 CA GLY A 54 -13.633 -1.305 -1.321 1.00 63.05 C ATOM 831 C GLY A 54 -13.306 -0.683 -2.665 1.00 35.41 C ATOM 832 O GLY A 54 -13.886 0.335 -3.042 1.00 41.22 O ATOM 0 H GLY A 54 -12.462 -0.571 0.254 1.00 51.44 H new ATOM 0 HA2 GLY A 54 -13.993 -2.323 -1.473 1.00 63.05 H new ATOM 0 HA3 GLY A 54 -14.444 -0.747 -0.853 1.00 63.05 H new ATOM 836 N ARG A 55 -12.375 -1.296 -3.388 1.00 71.43 N ATOM 837 CA ARG A 55 -11.971 -0.795 -4.696 1.00 44.11 C ATOM 838 C ARG A 55 -11.947 -1.920 -5.726 1.00 72.24 C ATOM 839 O ARG A 55 -12.368 -1.739 -6.868 1.00 72.31 O ATOM 840 CB ARG A 55 -10.591 -0.139 -4.610 1.00 53.11 C ATOM 841 CG ARG A 55 -10.547 1.264 -5.193 1.00 63.15 C ATOM 842 CD ARG A 55 -11.553 2.181 -4.516 1.00 41.22 C ATOM 843 NE ARG A 55 -11.499 2.073 -3.061 1.00 31.12 N ATOM 844 CZ ARG A 55 -10.653 2.762 -2.303 1.00 62.14 C ATOM 845 NH1 ARG A 55 -9.794 3.605 -2.861 1.00 33.33 N ATOM 846 NH2 ARG A 55 -10.665 2.609 -0.985 1.00 65.13 N ATOM 0 H ARG A 55 -11.886 -2.140 -3.090 1.00 71.43 H new ATOM 0 HA ARG A 55 -12.701 -0.051 -5.013 1.00 44.11 H new ATOM 0 HB2 ARG A 55 -10.281 -0.099 -3.566 1.00 53.11 H new ATOM 0 HB3 ARG A 55 -9.868 -0.764 -5.134 1.00 53.11 H new ATOM 0 HG2 ARG A 55 -9.544 1.675 -5.079 1.00 63.15 H new ATOM 0 HG3 ARG A 55 -10.754 1.221 -6.262 1.00 63.15 H new ATOM 0 HD2 ARG A 55 -11.359 3.212 -4.810 1.00 41.22 H new ATOM 0 HD3 ARG A 55 -12.557 1.935 -4.861 1.00 41.22 H new ATOM 0 HE ARG A 55 -12.147 1.433 -2.601 1.00 31.12 H new ATOM 0 HH11 ARG A 55 -9.782 3.725 -3.874 1.00 33.33 H new ATOM 0 HH12 ARG A 55 -9.145 4.133 -2.277 1.00 33.33 H new ATOM 0 HH21 ARG A 55 -11.324 1.962 -0.553 1.00 65.13 H new ATOM 0 HH22 ARG A 55 -10.015 3.139 -0.404 1.00 65.13 H new ATOM 860 N GLY A 56 -11.451 -3.083 -5.314 1.00 40.02 N ATOM 861 CA GLY A 56 -11.381 -4.220 -6.213 1.00 71.12 C ATOM 862 C GLY A 56 -12.430 -5.269 -5.903 1.00 71.54 C ATOM 863 O GLY A 56 -12.819 -5.447 -4.750 1.00 25.43 O ATOM 0 H GLY A 56 -11.096 -3.258 -4.374 1.00 40.02 H new ATOM 0 HA2 GLY A 56 -11.508 -3.876 -7.240 1.00 71.12 H new ATOM 0 HA3 GLY A 56 -10.391 -4.671 -6.148 1.00 71.12 H new ATOM 867 N GLY A 57 -12.892 -5.966 -6.938 1.00 22.14 N ATOM 868 CA GLY A 57 -13.900 -6.993 -6.749 1.00 64.35 C ATOM 869 C GLY A 57 -13.547 -7.954 -5.631 1.00 44.04 C ATOM 870 O GLY A 57 -14.315 -8.128 -4.685 1.00 54.55 O ATOM 0 H GLY A 57 -12.586 -5.838 -7.903 1.00 22.14 H new ATOM 0 HA2 GLY A 57 -14.858 -6.521 -6.529 1.00 64.35 H new ATOM 0 HA3 GLY A 57 -14.025 -7.551 -7.677 1.00 64.35 H new ATOM 874 N LYS A 58 -12.381 -8.582 -5.739 1.00 63.12 N ATOM 875 CA LYS A 58 -11.926 -9.531 -4.730 1.00 73.31 C ATOM 876 C LYS A 58 -11.518 -8.810 -3.449 1.00 71.24 C ATOM 877 O LYS A 58 -11.260 -9.441 -2.425 1.00 62.45 O ATOM 878 CB LYS A 58 -10.749 -10.350 -5.264 1.00 61.31 C ATOM 879 CG LYS A 58 -11.064 -11.106 -6.543 1.00 74.32 C ATOM 880 CD LYS A 58 -12.180 -12.117 -6.333 1.00 45.21 C ATOM 881 CE LYS A 58 -11.795 -13.164 -5.300 1.00 21.53 C ATOM 882 NZ LYS A 58 -12.682 -14.359 -5.364 1.00 42.03 N ATOM 0 H LYS A 58 -11.733 -8.451 -6.516 1.00 63.12 H new ATOM 0 HA LYS A 58 -12.753 -10.203 -4.500 1.00 73.31 H new ATOM 0 HB2 LYS A 58 -9.906 -9.683 -5.444 1.00 61.31 H new ATOM 0 HB3 LYS A 58 -10.436 -11.061 -4.500 1.00 61.31 H new ATOM 0 HG2 LYS A 58 -11.353 -10.400 -7.322 1.00 74.32 H new ATOM 0 HG3 LYS A 58 -10.168 -11.619 -6.894 1.00 74.32 H new ATOM 0 HD2 LYS A 58 -13.084 -11.601 -6.010 1.00 45.21 H new ATOM 0 HD3 LYS A 58 -12.413 -12.606 -7.279 1.00 45.21 H new ATOM 0 HE2 LYS A 58 -10.761 -13.470 -5.461 1.00 21.53 H new ATOM 0 HE3 LYS A 58 -11.846 -12.727 -4.303 1.00 21.53 H new ATOM 0 HZ1 LYS A 58 -12.387 -15.049 -4.644 1.00 42.03 H new ATOM 0 HZ2 LYS A 58 -13.665 -14.071 -5.185 1.00 42.03 H new ATOM 0 HZ3 LYS A 58 -12.614 -14.792 -6.307 1.00 42.03 H new ATOM 896 N GLY A 59 -11.464 -7.483 -3.514 1.00 64.22 N ATOM 897 CA GLY A 59 -11.088 -6.699 -2.353 1.00 3.43 C ATOM 898 C GLY A 59 -9.875 -5.827 -2.610 1.00 5.12 C ATOM 899 O GLY A 59 -9.988 -4.628 -2.868 1.00 31.42 O ATOM 0 H GLY A 59 -11.674 -6.938 -4.350 1.00 64.22 H new ATOM 0 HA2 GLY A 59 -11.927 -6.070 -2.056 1.00 3.43 H new ATOM 0 HA3 GLY A 59 -10.880 -7.368 -1.518 1.00 3.43 H new ATOM 903 N PRO A 60 -8.680 -6.433 -2.538 1.00 41.35 N ATOM 904 CA PRO A 60 -7.417 -5.722 -2.761 1.00 54.13 C ATOM 905 C PRO A 60 -7.232 -5.312 -4.218 1.00 51.03 C ATOM 906 O PRO A 60 -7.047 -6.159 -5.091 1.00 73.35 O ATOM 907 CB PRO A 60 -6.356 -6.748 -2.355 1.00 53.24 C ATOM 908 CG PRO A 60 -7.014 -8.070 -2.549 1.00 34.21 C ATOM 909 CD PRO A 60 -8.470 -7.858 -2.235 1.00 62.34 C ATOM 0 HA PRO A 60 -7.368 -4.791 -2.196 1.00 54.13 H new ATOM 0 HB2 PRO A 60 -5.461 -6.657 -2.971 1.00 53.24 H new ATOM 0 HB3 PRO A 60 -6.046 -6.608 -1.319 1.00 53.24 H new ATOM 0 HG2 PRO A 60 -6.883 -8.425 -3.571 1.00 34.21 H new ATOM 0 HG3 PRO A 60 -6.579 -8.823 -1.892 1.00 34.21 H new ATOM 0 HD2 PRO A 60 -9.110 -8.497 -2.844 1.00 62.34 H new ATOM 0 HD3 PRO A 60 -8.693 -8.084 -1.192 1.00 62.34 H new ATOM 917 N GLN A 61 -7.283 -4.008 -4.473 1.00 23.45 N ATOM 918 CA GLN A 61 -7.120 -3.488 -5.825 1.00 15.53 C ATOM 919 C GLN A 61 -5.862 -2.632 -5.931 1.00 72.23 C ATOM 920 O GLN A 61 -5.348 -2.140 -4.928 1.00 22.04 O ATOM 921 CB GLN A 61 -8.346 -2.665 -6.228 1.00 21.53 C ATOM 922 CG GLN A 61 -8.827 -2.944 -7.642 1.00 71.25 C ATOM 923 CD GLN A 61 -9.890 -1.965 -8.101 1.00 31.32 C ATOM 924 OE1 GLN A 61 -9.968 -0.840 -7.608 1.00 3.40 O ATOM 925 NE2 GLN A 61 -10.717 -2.390 -9.049 1.00 43.14 N ATOM 0 H GLN A 61 -7.436 -3.293 -3.761 1.00 23.45 H new ATOM 0 HA GLN A 61 -7.020 -4.335 -6.504 1.00 15.53 H new ATOM 0 HB2 GLN A 61 -9.157 -2.871 -5.530 1.00 21.53 H new ATOM 0 HB3 GLN A 61 -8.108 -1.605 -6.136 1.00 21.53 H new ATOM 0 HG2 GLN A 61 -7.979 -2.900 -8.325 1.00 71.25 H new ATOM 0 HG3 GLN A 61 -9.225 -3.957 -7.693 1.00 71.25 H new ATOM 0 HE21 GLN A 61 -10.616 -3.331 -9.430 1.00 43.14 H new ATOM 0 HE22 GLN A 61 -11.453 -1.776 -9.397 1.00 43.14 H new ATOM 934 N ALA A 62 -5.372 -2.460 -7.154 1.00 43.04 N ATOM 935 CA ALA A 62 -4.175 -1.663 -7.392 1.00 43.11 C ATOM 936 C ALA A 62 -4.513 -0.179 -7.486 1.00 50.02 C ATOM 937 O ALA A 62 -4.246 0.466 -8.500 1.00 51.51 O ATOM 938 CB ALA A 62 -3.474 -2.128 -8.660 1.00 51.11 C ATOM 0 H ALA A 62 -5.785 -2.862 -7.995 1.00 43.04 H new ATOM 0 HA ALA A 62 -3.502 -1.803 -6.546 1.00 43.11 H new ATOM 0 HB1 ALA A 62 -2.582 -1.524 -8.825 1.00 51.11 H new ATOM 0 HB2 ALA A 62 -3.189 -3.175 -8.555 1.00 51.11 H new ATOM 0 HB3 ALA A 62 -4.148 -2.019 -9.509 1.00 51.11 H new ATOM 944 N LYS A 63 -5.103 0.357 -6.423 1.00 51.12 N ATOM 945 CA LYS A 63 -5.478 1.766 -6.385 1.00 31.43 C ATOM 946 C LYS A 63 -4.365 2.641 -6.951 1.00 64.20 C ATOM 947 O LYS A 63 -4.618 3.560 -7.730 1.00 73.21 O ATOM 948 CB LYS A 63 -5.796 2.191 -4.949 1.00 44.04 C ATOM 949 CG LYS A 63 -6.145 3.663 -4.814 1.00 42.04 C ATOM 950 CD LYS A 63 -7.594 3.929 -5.185 1.00 72.42 C ATOM 951 CE LYS A 63 -7.775 4.028 -6.692 1.00 43.32 C ATOM 952 NZ LYS A 63 -8.570 5.227 -7.077 1.00 75.44 N ATOM 0 H LYS A 63 -5.332 -0.163 -5.576 1.00 51.12 H new ATOM 0 HA LYS A 63 -6.367 1.897 -7.002 1.00 31.43 H new ATOM 0 HB2 LYS A 63 -6.629 1.593 -4.578 1.00 44.04 H new ATOM 0 HB3 LYS A 63 -4.937 1.970 -4.315 1.00 44.04 H new ATOM 0 HG2 LYS A 63 -5.965 3.988 -3.789 1.00 42.04 H new ATOM 0 HG3 LYS A 63 -5.490 4.253 -5.455 1.00 42.04 H new ATOM 0 HD2 LYS A 63 -8.223 3.130 -4.794 1.00 72.42 H new ATOM 0 HD3 LYS A 63 -7.927 4.855 -4.716 1.00 72.42 H new ATOM 0 HE2 LYS A 63 -6.798 4.070 -7.173 1.00 43.32 H new ATOM 0 HE3 LYS A 63 -8.272 3.130 -7.058 1.00 43.32 H new ATOM 0 HZ1 LYS A 63 -8.671 5.259 -8.112 1.00 75.44 H new ATOM 0 HZ2 LYS A 63 -9.512 5.175 -6.638 1.00 75.44 H new ATOM 0 HZ3 LYS A 63 -8.083 6.086 -6.750 1.00 75.44 H new ATOM 966 N LYS A 64 -3.130 2.349 -6.556 1.00 30.02 N ATOM 967 CA LYS A 64 -1.976 3.107 -7.026 1.00 35.04 C ATOM 968 C LYS A 64 -0.908 2.177 -7.591 1.00 23.24 C ATOM 969 O LYS A 64 -0.116 1.599 -6.845 1.00 41.54 O ATOM 970 CB LYS A 64 -1.390 3.942 -5.885 1.00 21.20 C ATOM 971 CG LYS A 64 -2.438 4.680 -5.071 1.00 1.44 C ATOM 972 CD LYS A 64 -1.830 5.333 -3.840 1.00 71.22 C ATOM 973 CE LYS A 64 -2.521 4.872 -2.566 1.00 72.31 C ATOM 974 NZ LYS A 64 -1.590 4.859 -1.404 1.00 15.33 N ATOM 0 H LYS A 64 -2.903 1.592 -5.911 1.00 30.02 H new ATOM 0 HA LYS A 64 -2.309 3.773 -7.822 1.00 35.04 H new ATOM 0 HB2 LYS A 64 -0.821 3.289 -5.223 1.00 21.20 H new ATOM 0 HB3 LYS A 64 -0.688 4.666 -6.299 1.00 21.20 H new ATOM 0 HG2 LYS A 64 -2.912 5.441 -5.691 1.00 1.44 H new ATOM 0 HG3 LYS A 64 -3.220 3.984 -4.766 1.00 1.44 H new ATOM 0 HD2 LYS A 64 -0.768 5.093 -3.786 1.00 71.22 H new ATOM 0 HD3 LYS A 64 -1.908 6.417 -3.926 1.00 71.22 H new ATOM 0 HE2 LYS A 64 -3.362 5.531 -2.350 1.00 72.31 H new ATOM 0 HE3 LYS A 64 -2.929 3.872 -2.716 1.00 72.31 H new ATOM 0 HZ1 LYS A 64 -1.394 3.876 -1.128 1.00 15.33 H new ATOM 0 HZ2 LYS A 64 -0.700 5.329 -1.667 1.00 15.33 H new ATOM 0 HZ3 LYS A 64 -2.025 5.363 -0.605 1.00 15.33 H new ATOM 988 N VAL A 65 -0.890 2.037 -8.912 1.00 43.24 N ATOM 989 CA VAL A 65 0.084 1.179 -9.577 1.00 53.24 C ATOM 990 C VAL A 65 1.224 1.999 -10.170 1.00 61.05 C ATOM 991 O VAL A 65 1.012 3.100 -10.680 1.00 34.53 O ATOM 992 CB VAL A 65 -0.572 0.348 -10.696 1.00 13.10 C ATOM 993 CG1 VAL A 65 0.167 0.544 -12.011 1.00 11.42 C ATOM 994 CG2 VAL A 65 -0.613 -1.123 -10.312 1.00 64.30 C ATOM 0 H VAL A 65 -1.539 2.507 -9.544 1.00 43.24 H new ATOM 0 HA VAL A 65 0.482 0.504 -8.819 1.00 53.24 H new ATOM 0 HB VAL A 65 -1.597 0.694 -10.829 1.00 13.10 H new ATOM 0 HG11 VAL A 65 -0.311 -0.051 -12.789 1.00 11.42 H new ATOM 0 HG12 VAL A 65 0.139 1.597 -12.291 1.00 11.42 H new ATOM 0 HG13 VAL A 65 1.203 0.226 -11.897 1.00 11.42 H new ATOM 0 HG21 VAL A 65 -1.080 -1.695 -11.114 1.00 64.30 H new ATOM 0 HG22 VAL A 65 0.402 -1.485 -10.151 1.00 64.30 H new ATOM 0 HG23 VAL A 65 -1.191 -1.244 -9.396 1.00 64.30 H new ATOM 1004 N ARG A 66 2.435 1.455 -10.101 1.00 53.04 N ATOM 1005 CA ARG A 66 3.610 2.136 -10.631 1.00 52.30 C ATOM 1006 C ARG A 66 4.464 1.182 -11.460 1.00 60.22 C ATOM 1007 O ARG A 66 4.329 -0.037 -11.356 1.00 71.43 O ATOM 1008 CB ARG A 66 4.443 2.723 -9.490 1.00 51.10 C ATOM 1009 CG ARG A 66 3.612 3.418 -8.424 1.00 32.32 C ATOM 1010 CD ARG A 66 4.422 4.470 -7.684 1.00 4.24 C ATOM 1011 NE ARG A 66 3.668 5.069 -6.586 1.00 5.44 N ATOM 1012 CZ ARG A 66 4.114 6.087 -5.857 1.00 42.15 C ATOM 1013 NH1 ARG A 66 5.303 6.616 -6.110 1.00 3.42 N ATOM 1014 NH2 ARG A 66 3.370 6.578 -4.875 1.00 34.32 N ATOM 0 H ARG A 66 2.628 0.545 -9.683 1.00 53.04 H new ATOM 0 HA ARG A 66 3.269 2.945 -11.277 1.00 52.30 H new ATOM 0 HB2 ARG A 66 5.020 1.924 -9.025 1.00 51.10 H new ATOM 0 HB3 ARG A 66 5.158 3.435 -9.902 1.00 51.10 H new ATOM 0 HG2 ARG A 66 2.743 3.885 -8.886 1.00 32.32 H new ATOM 0 HG3 ARG A 66 3.238 2.680 -7.715 1.00 32.32 H new ATOM 0 HD2 ARG A 66 5.333 4.017 -7.293 1.00 4.24 H new ATOM 0 HD3 ARG A 66 4.727 5.250 -8.382 1.00 4.24 H new ATOM 0 HE ARG A 66 2.749 4.685 -6.367 1.00 5.44 H new ATOM 0 HH11 ARG A 66 5.877 6.242 -6.865 1.00 3.42 H new ATOM 0 HH12 ARG A 66 5.643 7.397 -5.549 1.00 3.42 H new ATOM 0 HH21 ARG A 66 2.454 6.174 -4.678 1.00 34.32 H new ATOM 0 HH22 ARG A 66 3.714 7.359 -4.316 1.00 34.32 H new ATOM 1028 N ARG A 67 5.343 1.745 -12.283 1.00 54.20 N ATOM 1029 CA ARG A 67 6.217 0.945 -13.131 1.00 63.42 C ATOM 1030 C ARG A 67 7.560 0.699 -12.449 1.00 41.33 C ATOM 1031 O ARG A 67 8.163 1.619 -11.896 1.00 4.11 O ATOM 1032 CB ARG A 67 6.436 1.640 -14.476 1.00 13.40 C ATOM 1033 CG ARG A 67 7.361 2.844 -14.396 1.00 21.50 C ATOM 1034 CD ARG A 67 7.276 3.696 -15.652 1.00 52.41 C ATOM 1035 NE ARG A 67 7.692 5.075 -15.407 1.00 65.42 N ATOM 1036 CZ ARG A 67 8.089 5.904 -16.366 1.00 74.02 C ATOM 1037 NH1 ARG A 67 8.121 5.497 -17.628 1.00 24.14 N ATOM 1038 NH2 ARG A 67 8.453 7.144 -16.064 1.00 73.33 N ATOM 0 H ARG A 67 5.468 2.753 -12.380 1.00 54.20 H new ATOM 0 HA ARG A 67 5.734 -0.017 -13.302 1.00 63.42 H new ATOM 0 HB2 ARG A 67 6.849 0.921 -15.184 1.00 13.40 H new ATOM 0 HB3 ARG A 67 5.472 1.959 -14.872 1.00 13.40 H new ATOM 0 HG2 ARG A 67 7.100 3.448 -13.527 1.00 21.50 H new ATOM 0 HG3 ARG A 67 8.388 2.507 -14.253 1.00 21.50 H new ATOM 0 HD2 ARG A 67 7.904 3.260 -16.429 1.00 52.41 H new ATOM 0 HD3 ARG A 67 6.253 3.687 -16.027 1.00 52.41 H new ATOM 0 HE ARG A 67 7.677 5.420 -14.447 1.00 65.42 H new ATOM 0 HH11 ARG A 67 7.840 4.545 -17.864 1.00 24.14 H new ATOM 0 HH12 ARG A 67 8.426 6.136 -18.362 1.00 24.14 H new ATOM 0 HH21 ARG A 67 8.428 7.461 -15.095 1.00 73.33 H new ATOM 0 HH22 ARG A 67 8.758 7.780 -16.801 1.00 73.33 H new ATOM 1052 N ILE A 68 8.021 -0.546 -12.493 1.00 22.10 N ATOM 1053 CA ILE A 68 9.292 -0.912 -11.880 1.00 42.51 C ATOM 1054 C ILE A 68 10.082 -1.859 -12.776 1.00 44.14 C ATOM 1055 O ILE A 68 9.843 -3.066 -12.786 1.00 75.31 O ATOM 1056 CB ILE A 68 9.084 -1.576 -10.506 1.00 63.24 C ATOM 1057 CG1 ILE A 68 8.349 -0.624 -9.561 1.00 21.22 C ATOM 1058 CG2 ILE A 68 10.421 -1.994 -9.912 1.00 42.24 C ATOM 1059 CD1 ILE A 68 9.250 0.018 -8.529 1.00 71.11 C ATOM 0 H ILE A 68 7.533 -1.319 -12.947 1.00 22.10 H new ATOM 0 HA ILE A 68 9.855 0.012 -11.746 1.00 42.51 H new ATOM 0 HB ILE A 68 8.473 -2.469 -10.639 1.00 63.24 H new ATOM 0 HG12 ILE A 68 7.868 0.158 -10.148 1.00 21.22 H new ATOM 0 HG13 ILE A 68 7.557 -1.172 -9.050 1.00 21.22 H new ATOM 0 HG21 ILE A 68 10.258 -2.462 -8.941 1.00 42.24 H new ATOM 0 HG22 ILE A 68 10.909 -2.704 -10.579 1.00 42.24 H new ATOM 0 HG23 ILE A 68 11.055 -1.116 -9.790 1.00 42.24 H new ATOM 0 HD11 ILE A 68 8.662 0.680 -7.894 1.00 71.11 H new ATOM 0 HD12 ILE A 68 9.712 -0.757 -7.917 1.00 71.11 H new ATOM 0 HD13 ILE A 68 10.027 0.594 -9.032 1.00 71.11 H new