USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=5 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= 0.00813 USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -0.0389 (180deg=-0.269) USER MOD Single : A 10 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.63) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -8.1! C(o=-8.1!,f=-2.8!) USER MOD Single : A 20 GLN : amide:sc= -2.69 K(o=-2.7,f=-3.4!) USER MOD Single : A 29 HIS : no HD1:sc= -1.77 X(o=-1.8,f=-2.2) USER MOD Single : A 31 THR OG1 : rot -40:sc=0.000763 USER MOD Single : A 42 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.054) USER MOD Single : A 46 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.021) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -2.33 K(o=-2.3,f=-8.1!) USER MOD Single : A 63 LYS NZ :NH3+ -117:sc= -0.372 (180deg=-1.95!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 2.339 -2.159 -2.017 1.00 63.23 N ATOM 19 CA LYS A 2 3.226 -3.308 -2.160 1.00 52.12 C ATOM 20 C LYS A 2 3.804 -3.377 -3.570 1.00 73.11 C ATOM 21 O LYS A 2 3.190 -2.906 -4.528 1.00 33.31 O ATOM 22 CB LYS A 2 2.473 -4.602 -1.842 1.00 1.20 C ATOM 23 CG LYS A 2 1.793 -4.591 -0.484 1.00 73.41 C ATOM 24 CD LYS A 2 2.794 -4.384 0.640 1.00 60.31 C ATOM 25 CE LYS A 2 2.151 -4.586 2.003 1.00 10.24 C ATOM 26 NZ LYS A 2 3.167 -4.821 3.066 1.00 31.54 N ATOM 0 HA LYS A 2 4.049 -3.191 -1.455 1.00 52.12 H new ATOM 0 HB2 LYS A 2 1.723 -4.775 -2.613 1.00 1.20 H new ATOM 0 HB3 LYS A 2 3.171 -5.438 -1.883 1.00 1.20 H new ATOM 0 HG2 LYS A 2 1.045 -3.798 -0.457 1.00 73.41 H new ATOM 0 HG3 LYS A 2 1.265 -5.532 -0.333 1.00 73.41 H new ATOM 0 HD2 LYS A 2 3.625 -5.080 0.522 1.00 60.31 H new ATOM 0 HD3 LYS A 2 3.209 -3.378 0.578 1.00 60.31 H new ATOM 0 HE2 LYS A 2 1.556 -3.709 2.257 1.00 10.24 H new ATOM 0 HE3 LYS A 2 1.467 -5.434 1.960 1.00 10.24 H new ATOM 0 HZ1 LYS A 2 2.689 -4.954 3.980 1.00 31.54 H new ATOM 0 HZ2 LYS A 2 3.719 -5.672 2.837 1.00 31.54 H new ATOM 0 HZ3 LYS A 2 3.804 -4.001 3.125 1.00 31.54 H new ATOM 40 N LYS A 3 4.987 -3.968 -3.691 1.00 64.31 N ATOM 41 CA LYS A 3 5.648 -4.102 -4.984 1.00 73.32 C ATOM 42 C LYS A 3 5.771 -5.569 -5.383 1.00 34.51 C ATOM 43 O LYS A 3 6.042 -6.430 -4.546 1.00 51.52 O ATOM 44 CB LYS A 3 7.035 -3.457 -4.941 1.00 54.31 C ATOM 45 CG LYS A 3 7.019 -2.013 -4.469 1.00 21.22 C ATOM 46 CD LYS A 3 8.215 -1.703 -3.584 1.00 71.11 C ATOM 47 CE LYS A 3 8.337 -0.211 -3.315 1.00 20.12 C ATOM 48 NZ LYS A 3 9.618 0.343 -3.833 1.00 44.10 N ATOM 0 H LYS A 3 5.509 -4.363 -2.908 1.00 64.31 H new ATOM 0 HA LYS A 3 5.039 -3.590 -5.729 1.00 73.32 H new ATOM 0 HB2 LYS A 3 7.677 -4.039 -4.280 1.00 54.31 H new ATOM 0 HB3 LYS A 3 7.478 -3.501 -5.936 1.00 54.31 H new ATOM 0 HG2 LYS A 3 7.021 -1.347 -5.332 1.00 21.22 H new ATOM 0 HG3 LYS A 3 6.098 -1.819 -3.919 1.00 21.22 H new ATOM 0 HD2 LYS A 3 8.118 -2.237 -2.639 1.00 71.11 H new ATOM 0 HD3 LYS A 3 9.126 -2.063 -4.062 1.00 71.11 H new ATOM 0 HE2 LYS A 3 7.501 0.311 -3.780 1.00 20.12 H new ATOM 0 HE3 LYS A 3 8.270 -0.029 -2.242 1.00 20.12 H new ATOM 0 HZ1 LYS A 3 9.663 1.362 -3.630 1.00 44.10 H new ATOM 0 HZ2 LYS A 3 10.416 -0.138 -3.371 1.00 44.10 H new ATOM 0 HZ3 LYS A 3 9.671 0.192 -4.861 1.00 44.10 H new ATOM 62 N GLY A 4 5.570 -5.848 -6.668 1.00 2.14 N ATOM 63 CA GLY A 4 5.664 -7.212 -7.154 1.00 43.25 C ATOM 64 C GLY A 4 5.627 -7.291 -8.668 1.00 31.02 C ATOM 65 O GLY A 4 5.303 -6.312 -9.341 1.00 61.12 O ATOM 0 H GLY A 4 5.344 -5.154 -7.380 1.00 2.14 H new ATOM 0 HA2 GLY A 4 6.589 -7.661 -6.792 1.00 43.25 H new ATOM 0 HA3 GLY A 4 4.843 -7.799 -6.742 1.00 43.25 H new ATOM 69 N THR A 5 5.961 -8.460 -9.206 1.00 52.12 N ATOM 70 CA THR A 5 5.967 -8.663 -10.649 1.00 51.34 C ATOM 71 C THR A 5 4.558 -8.908 -11.176 1.00 54.42 C ATOM 72 O THR A 5 3.668 -9.319 -10.431 1.00 62.21 O ATOM 73 CB THR A 5 6.864 -9.850 -11.046 1.00 25.10 C ATOM 74 OG1 THR A 5 6.595 -10.972 -10.198 1.00 63.33 O ATOM 75 CG2 THR A 5 8.335 -9.474 -10.946 1.00 41.20 C ATOM 0 H THR A 5 6.231 -9.281 -8.664 1.00 52.12 H new ATOM 0 HA THR A 5 6.365 -7.751 -11.094 1.00 51.34 H new ATOM 0 HB THR A 5 6.642 -10.115 -12.080 1.00 25.10 H new ATOM 0 HG1 THR A 5 7.168 -11.723 -10.458 1.00 63.33 H new ATOM 0 HG21 THR A 5 8.949 -10.328 -11.231 1.00 41.20 H new ATOM 0 HG22 THR A 5 8.543 -8.638 -11.614 1.00 41.20 H new ATOM 0 HG23 THR A 5 8.568 -9.186 -9.921 1.00 41.20 H new ATOM 83 N VAL A 6 4.360 -8.652 -12.466 1.00 21.43 N ATOM 84 CA VAL A 6 3.058 -8.847 -13.093 1.00 24.10 C ATOM 85 C VAL A 6 2.993 -10.185 -13.820 1.00 64.42 C ATOM 86 O VAL A 6 3.915 -10.555 -14.548 1.00 40.33 O ATOM 87 CB VAL A 6 2.742 -7.717 -14.091 1.00 34.33 C ATOM 88 CG1 VAL A 6 3.637 -7.820 -15.316 1.00 4.43 C ATOM 89 CG2 VAL A 6 1.274 -7.755 -14.489 1.00 12.33 C ATOM 0 H VAL A 6 5.085 -8.309 -13.097 1.00 21.43 H new ATOM 0 HA VAL A 6 2.316 -8.835 -12.294 1.00 24.10 H new ATOM 0 HB VAL A 6 2.940 -6.761 -13.606 1.00 34.33 H new ATOM 0 HG11 VAL A 6 3.399 -7.013 -16.009 1.00 4.43 H new ATOM 0 HG12 VAL A 6 4.681 -7.741 -15.012 1.00 4.43 H new ATOM 0 HG13 VAL A 6 3.474 -8.780 -15.806 1.00 4.43 H new ATOM 0 HG21 VAL A 6 1.067 -6.950 -15.194 1.00 12.33 H new ATOM 0 HG22 VAL A 6 1.048 -8.714 -14.956 1.00 12.33 H new ATOM 0 HG23 VAL A 6 0.653 -7.628 -13.602 1.00 12.33 H new ATOM 99 N LYS A 7 1.898 -10.909 -13.619 1.00 33.44 N ATOM 100 CA LYS A 7 1.709 -12.207 -14.256 1.00 65.20 C ATOM 101 C LYS A 7 1.135 -12.046 -15.660 1.00 10.32 C ATOM 102 O LYS A 7 1.474 -12.802 -16.570 1.00 20.22 O ATOM 103 CB LYS A 7 0.782 -13.083 -13.411 1.00 73.54 C ATOM 104 CG LYS A 7 1.479 -14.276 -12.780 1.00 4.32 C ATOM 105 CD LYS A 7 0.893 -14.608 -11.418 1.00 73.12 C ATOM 106 CE LYS A 7 -0.198 -15.663 -11.524 1.00 11.22 C ATOM 107 NZ LYS A 7 0.355 -16.999 -11.880 1.00 13.13 N ATOM 0 H LYS A 7 1.126 -10.618 -13.019 1.00 33.44 H new ATOM 0 HA LYS A 7 2.683 -12.690 -14.334 1.00 65.20 H new ATOM 0 HB2 LYS A 7 0.339 -12.474 -12.623 1.00 73.54 H new ATOM 0 HB3 LYS A 7 -0.036 -13.440 -14.036 1.00 73.54 H new ATOM 0 HG2 LYS A 7 1.388 -15.141 -13.437 1.00 4.32 H new ATOM 0 HG3 LYS A 7 2.543 -14.064 -12.677 1.00 4.32 H new ATOM 0 HD2 LYS A 7 1.683 -14.965 -10.758 1.00 73.12 H new ATOM 0 HD3 LYS A 7 0.484 -13.704 -10.966 1.00 73.12 H new ATOM 0 HE2 LYS A 7 -0.730 -15.731 -10.575 1.00 11.22 H new ATOM 0 HE3 LYS A 7 -0.925 -15.359 -12.277 1.00 11.22 H new ATOM 0 HZ1 LYS A 7 -0.313 -17.740 -11.588 1.00 13.13 H new ATOM 0 HZ2 LYS A 7 0.502 -17.051 -12.908 1.00 13.13 H new ATOM 0 HZ3 LYS A 7 1.263 -17.140 -11.393 1.00 13.13 H new ATOM 121 N TRP A 8 0.266 -11.056 -15.828 1.00 10.31 N ATOM 122 CA TRP A 8 -0.354 -10.795 -17.122 1.00 11.30 C ATOM 123 C TRP A 8 -1.113 -9.472 -17.105 1.00 64.24 C ATOM 124 O TRP A 8 -1.734 -9.114 -16.105 1.00 32.54 O ATOM 125 CB TRP A 8 -1.302 -11.936 -17.496 1.00 4.31 C ATOM 126 CG TRP A 8 -2.583 -11.922 -16.719 1.00 33.30 C ATOM 127 CD1 TRP A 8 -3.632 -11.062 -16.882 1.00 63.43 C ATOM 128 CD2 TRP A 8 -2.950 -12.808 -15.656 1.00 33.31 C ATOM 129 NE1 TRP A 8 -4.628 -11.361 -15.985 1.00 14.43 N ATOM 130 CE2 TRP A 8 -4.235 -12.428 -15.222 1.00 33.13 C ATOM 131 CE3 TRP A 8 -2.320 -13.887 -15.030 1.00 43.11 C ATOM 132 CZ2 TRP A 8 -4.898 -13.088 -14.190 1.00 62.54 C ATOM 133 CZ3 TRP A 8 -2.978 -14.541 -14.007 1.00 34.15 C ATOM 134 CH2 TRP A 8 -4.257 -14.141 -13.595 1.00 42.13 C ATOM 0 H TRP A 8 -0.025 -10.421 -15.085 1.00 10.31 H new ATOM 0 HA TRP A 8 0.437 -10.729 -17.869 1.00 11.30 H new ATOM 0 HB2 TRP A 8 -1.530 -11.875 -18.560 1.00 4.31 H new ATOM 0 HB3 TRP A 8 -0.796 -12.888 -17.332 1.00 4.31 H new ATOM 0 HD1 TRP A 8 -3.672 -10.264 -17.609 1.00 63.43 H new ATOM 0 HE1 TRP A 8 -5.517 -10.868 -15.901 1.00 14.43 H new ATOM 0 HE3 TRP A 8 -1.335 -14.204 -15.341 1.00 43.11 H new ATOM 0 HZ2 TRP A 8 -5.883 -12.780 -13.871 1.00 62.54 H new ATOM 0 HZ3 TRP A 8 -2.499 -15.375 -13.516 1.00 34.15 H new ATOM 0 HH2 TRP A 8 -4.746 -14.674 -12.793 1.00 42.13 H new ATOM 145 N PHE A 9 -1.058 -8.750 -18.219 1.00 50.33 N ATOM 146 CA PHE A 9 -1.740 -7.466 -18.332 1.00 1.42 C ATOM 147 C PHE A 9 -2.443 -7.339 -19.680 1.00 70.42 C ATOM 148 O PHE A 9 -1.807 -7.089 -20.703 1.00 2.53 O ATOM 149 CB PHE A 9 -0.744 -6.318 -18.154 1.00 43.21 C ATOM 150 CG PHE A 9 -1.394 -4.966 -18.075 1.00 33.44 C ATOM 151 CD1 PHE A 9 -1.854 -4.474 -16.864 1.00 34.41 C ATOM 152 CD2 PHE A 9 -1.546 -4.188 -19.211 1.00 32.20 C ATOM 153 CE1 PHE A 9 -2.453 -3.231 -16.787 1.00 52.12 C ATOM 154 CE2 PHE A 9 -2.144 -2.944 -19.140 1.00 43.04 C ATOM 155 CZ PHE A 9 -2.599 -2.465 -17.927 1.00 61.33 C ATOM 0 H PHE A 9 -0.548 -9.032 -19.056 1.00 50.33 H new ATOM 0 HA PHE A 9 -2.491 -7.412 -17.544 1.00 1.42 H new ATOM 0 HB2 PHE A 9 -0.165 -6.487 -17.246 1.00 43.21 H new ATOM 0 HB3 PHE A 9 -0.040 -6.326 -18.987 1.00 43.21 H new ATOM 0 HD1 PHE A 9 -1.743 -5.069 -15.970 1.00 34.41 H new ATOM 0 HD2 PHE A 9 -1.193 -4.558 -20.163 1.00 32.20 H new ATOM 0 HE1 PHE A 9 -2.806 -2.859 -15.837 1.00 52.12 H new ATOM 0 HE2 PHE A 9 -2.256 -2.347 -20.033 1.00 43.04 H new ATOM 0 HZ PHE A 9 -3.068 -1.494 -17.870 1.00 61.33 H new ATOM 165 N ASN A 10 -3.760 -7.516 -19.673 1.00 33.23 N ATOM 166 CA ASN A 10 -4.551 -7.424 -20.895 1.00 1.53 C ATOM 167 C ASN A 10 -4.845 -5.968 -21.243 1.00 42.44 C ATOM 168 O ASN A 10 -5.693 -5.329 -20.622 1.00 34.02 O ATOM 169 CB ASN A 10 -5.862 -8.197 -20.739 1.00 2.13 C ATOM 170 CG ASN A 10 -6.418 -8.666 -22.069 1.00 53.12 C ATOM 171 OD1 ASN A 10 -5.679 -9.145 -22.930 1.00 14.34 O ATOM 172 ND2 ASN A 10 -7.728 -8.529 -22.244 1.00 24.53 N ATOM 0 H ASN A 10 -4.302 -7.724 -18.835 1.00 33.23 H new ATOM 0 HA ASN A 10 -3.972 -7.864 -21.707 1.00 1.53 H new ATOM 0 HB2 ASN A 10 -5.698 -9.059 -20.093 1.00 2.13 H new ATOM 0 HB3 ASN A 10 -6.598 -7.563 -20.244 1.00 2.13 H new ATOM 0 HD21 ASN A 10 -8.159 -8.826 -23.119 1.00 24.53 H new ATOM 0 HD22 ASN A 10 -8.302 -8.127 -21.503 1.00 24.53 H new ATOM 179 N ALA A 11 -4.137 -5.450 -22.242 1.00 54.41 N ATOM 180 CA ALA A 11 -4.324 -4.070 -22.676 1.00 21.55 C ATOM 181 C ALA A 11 -5.603 -3.920 -23.492 1.00 40.10 C ATOM 182 O ALA A 11 -6.146 -2.823 -23.614 1.00 11.50 O ATOM 183 CB ALA A 11 -3.122 -3.604 -23.483 1.00 41.12 C ATOM 0 H ALA A 11 -3.429 -5.965 -22.766 1.00 54.41 H new ATOM 0 HA ALA A 11 -4.416 -3.444 -21.788 1.00 21.55 H new ATOM 0 HB1 ALA A 11 -3.275 -2.573 -23.801 1.00 41.12 H new ATOM 0 HB2 ALA A 11 -2.225 -3.665 -22.867 1.00 41.12 H new ATOM 0 HB3 ALA A 11 -3.004 -4.240 -24.360 1.00 41.12 H new ATOM 189 N GLU A 12 -6.078 -5.029 -24.050 1.00 21.45 N ATOM 190 CA GLU A 12 -7.293 -5.019 -24.856 1.00 3.31 C ATOM 191 C GLU A 12 -8.506 -4.648 -24.007 1.00 62.43 C ATOM 192 O GLU A 12 -9.423 -3.973 -24.475 1.00 63.12 O ATOM 193 CB GLU A 12 -7.511 -6.386 -25.508 1.00 2.31 C ATOM 194 CG GLU A 12 -6.658 -6.613 -26.745 1.00 12.11 C ATOM 195 CD GLU A 12 -7.008 -7.900 -27.466 1.00 60.20 C ATOM 196 OE1 GLU A 12 -7.255 -8.915 -26.781 1.00 0.10 O ATOM 197 OE2 GLU A 12 -7.034 -7.893 -28.714 1.00 75.34 O ATOM 0 H GLU A 12 -5.640 -5.946 -23.959 1.00 21.45 H new ATOM 0 HA GLU A 12 -7.174 -4.268 -25.637 1.00 3.31 H new ATOM 0 HB2 GLU A 12 -7.293 -7.166 -24.779 1.00 2.31 H new ATOM 0 HB3 GLU A 12 -8.562 -6.487 -25.778 1.00 2.31 H new ATOM 0 HG2 GLU A 12 -6.784 -5.773 -27.428 1.00 12.11 H new ATOM 0 HG3 GLU A 12 -5.607 -6.636 -26.458 1.00 12.11 H new ATOM 204 N LYS A 13 -8.504 -5.096 -22.756 1.00 71.23 N ATOM 205 CA LYS A 13 -9.602 -4.813 -21.840 1.00 55.22 C ATOM 206 C LYS A 13 -9.210 -3.733 -20.837 1.00 45.01 C ATOM 207 O LYS A 13 -10.016 -2.870 -20.491 1.00 63.34 O ATOM 208 CB LYS A 13 -10.017 -6.086 -21.099 1.00 41.10 C ATOM 209 CG LYS A 13 -10.793 -7.066 -21.961 1.00 61.42 C ATOM 210 CD LYS A 13 -12.148 -6.507 -22.361 1.00 1.33 C ATOM 211 CE LYS A 13 -13.191 -7.607 -22.485 1.00 2.21 C ATOM 212 NZ LYS A 13 -14.344 -7.185 -23.328 1.00 21.44 N ATOM 0 H LYS A 13 -7.753 -5.657 -22.353 1.00 71.23 H new ATOM 0 HA LYS A 13 -10.446 -4.450 -22.426 1.00 55.22 H new ATOM 0 HB2 LYS A 13 -9.124 -6.580 -20.715 1.00 41.10 H new ATOM 0 HB3 LYS A 13 -10.625 -5.813 -20.237 1.00 41.10 H new ATOM 0 HG2 LYS A 13 -10.217 -7.300 -22.856 1.00 61.42 H new ATOM 0 HG3 LYS A 13 -10.930 -8.001 -21.417 1.00 61.42 H new ATOM 0 HD2 LYS A 13 -12.474 -5.777 -21.620 1.00 1.33 H new ATOM 0 HD3 LYS A 13 -12.059 -5.980 -23.311 1.00 1.33 H new ATOM 0 HE2 LYS A 13 -12.732 -8.496 -22.917 1.00 2.21 H new ATOM 0 HE3 LYS A 13 -13.548 -7.883 -21.493 1.00 2.21 H new ATOM 0 HZ1 LYS A 13 -15.033 -7.962 -23.388 1.00 21.44 H new ATOM 0 HZ2 LYS A 13 -14.798 -6.352 -22.903 1.00 21.44 H new ATOM 0 HZ3 LYS A 13 -14.007 -6.946 -24.283 1.00 21.44 H new ATOM 226 N GLY A 14 -7.964 -3.786 -20.374 1.00 72.31 N ATOM 227 CA GLY A 14 -7.486 -2.806 -19.416 1.00 72.34 C ATOM 228 C GLY A 14 -7.445 -3.350 -18.002 1.00 61.11 C ATOM 229 O GLY A 14 -7.873 -2.683 -17.060 1.00 41.42 O ATOM 0 H GLY A 14 -7.278 -4.490 -20.645 1.00 72.31 H new ATOM 0 HA2 GLY A 14 -6.488 -2.477 -19.705 1.00 72.34 H new ATOM 0 HA3 GLY A 14 -8.132 -1.928 -19.446 1.00 72.34 H new ATOM 233 N TYR A 15 -6.930 -4.565 -17.852 1.00 71.42 N ATOM 234 CA TYR A 15 -6.838 -5.200 -16.543 1.00 34.41 C ATOM 235 C TYR A 15 -5.584 -6.063 -16.443 1.00 32.25 C ATOM 236 O TYR A 15 -4.915 -6.324 -17.441 1.00 63.11 O ATOM 237 CB TYR A 15 -8.080 -6.053 -16.278 1.00 73.44 C ATOM 238 CG TYR A 15 -8.126 -7.326 -17.094 1.00 41.31 C ATOM 239 CD1 TYR A 15 -7.479 -8.476 -16.661 1.00 23.05 C ATOM 240 CD2 TYR A 15 -8.817 -7.377 -18.298 1.00 74.53 C ATOM 241 CE1 TYR A 15 -7.517 -9.640 -17.403 1.00 72.20 C ATOM 242 CE2 TYR A 15 -8.863 -8.538 -19.047 1.00 5.23 C ATOM 243 CZ TYR A 15 -8.210 -9.666 -18.595 1.00 75.31 C ATOM 244 OH TYR A 15 -8.252 -10.825 -19.337 1.00 14.50 O ATOM 0 H TYR A 15 -6.570 -5.130 -18.621 1.00 71.42 H new ATOM 0 HA TYR A 15 -6.777 -4.414 -15.790 1.00 34.41 H new ATOM 0 HB2 TYR A 15 -8.116 -6.309 -15.219 1.00 73.44 H new ATOM 0 HB3 TYR A 15 -8.970 -5.461 -16.493 1.00 73.44 H new ATOM 0 HD1 TYR A 15 -6.936 -8.460 -15.727 1.00 23.05 H new ATOM 0 HD2 TYR A 15 -9.327 -6.495 -18.655 1.00 74.53 H new ATOM 0 HE1 TYR A 15 -7.007 -10.525 -17.052 1.00 72.20 H new ATOM 0 HE2 TYR A 15 -9.407 -8.562 -19.980 1.00 5.23 H new ATOM 0 HH TYR A 15 -8.782 -10.675 -20.148 1.00 14.50 H new ATOM 254 N GLY A 16 -5.273 -6.504 -15.227 1.00 63.23 N ATOM 255 CA GLY A 16 -4.101 -7.333 -15.017 1.00 65.50 C ATOM 256 C GLY A 16 -3.995 -7.837 -13.591 1.00 62.23 C ATOM 257 O GLY A 16 -4.786 -7.454 -12.729 1.00 51.25 O ATOM 0 H GLY A 16 -5.812 -6.302 -14.385 1.00 63.23 H new ATOM 0 HA2 GLY A 16 -4.135 -8.183 -15.698 1.00 65.50 H new ATOM 0 HA3 GLY A 16 -3.206 -6.761 -15.265 1.00 65.50 H new ATOM 261 N PHE A 17 -3.016 -8.700 -13.341 1.00 62.34 N ATOM 262 CA PHE A 17 -2.811 -9.260 -12.010 1.00 51.33 C ATOM 263 C PHE A 17 -1.346 -9.159 -11.597 1.00 44.25 C ATOM 264 O PHE A 17 -0.446 -9.456 -12.384 1.00 73.34 O ATOM 265 CB PHE A 17 -3.264 -10.721 -11.973 1.00 2.21 C ATOM 266 CG PHE A 17 -4.698 -10.894 -11.561 1.00 42.32 C ATOM 267 CD1 PHE A 17 -5.726 -10.562 -12.429 1.00 12.25 C ATOM 268 CD2 PHE A 17 -5.018 -11.389 -10.307 1.00 44.42 C ATOM 269 CE1 PHE A 17 -7.047 -10.719 -12.052 1.00 25.23 C ATOM 270 CE2 PHE A 17 -6.336 -11.549 -9.925 1.00 52.40 C ATOM 271 CZ PHE A 17 -7.352 -11.214 -10.799 1.00 20.40 C ATOM 0 H PHE A 17 -2.352 -9.027 -14.043 1.00 62.34 H new ATOM 0 HA PHE A 17 -3.409 -8.683 -11.304 1.00 51.33 H new ATOM 0 HB2 PHE A 17 -3.122 -11.162 -12.960 1.00 2.21 H new ATOM 0 HB3 PHE A 17 -2.627 -11.273 -11.282 1.00 2.21 H new ATOM 0 HD1 PHE A 17 -5.493 -10.176 -13.411 1.00 12.25 H new ATOM 0 HD2 PHE A 17 -4.228 -11.653 -9.620 1.00 44.42 H new ATOM 0 HE1 PHE A 17 -7.840 -10.455 -12.736 1.00 25.23 H new ATOM 0 HE2 PHE A 17 -6.572 -11.935 -8.944 1.00 52.40 H new ATOM 0 HZ PHE A 17 -8.383 -11.339 -10.503 1.00 20.40 H new ATOM 281 N ILE A 18 -1.114 -8.737 -10.359 1.00 42.01 N ATOM 282 CA ILE A 18 0.242 -8.597 -9.841 1.00 74.23 C ATOM 283 C ILE A 18 0.480 -9.537 -8.664 1.00 11.51 C ATOM 284 O ILE A 18 -0.439 -9.837 -7.902 1.00 63.22 O ATOM 285 CB ILE A 18 0.528 -7.151 -9.396 1.00 13.02 C ATOM 286 CG1 ILE A 18 0.322 -6.184 -10.564 1.00 25.31 C ATOM 287 CG2 ILE A 18 1.942 -7.036 -8.848 1.00 3.41 C ATOM 288 CD1 ILE A 18 -0.003 -4.772 -10.130 1.00 20.33 C ATOM 0 H ILE A 18 -1.847 -8.486 -9.696 1.00 42.01 H new ATOM 0 HA ILE A 18 0.919 -8.858 -10.654 1.00 74.23 H new ATOM 0 HB ILE A 18 -0.171 -6.885 -8.603 1.00 13.02 H new ATOM 0 HG12 ILE A 18 1.224 -6.169 -11.176 1.00 25.31 H new ATOM 0 HG13 ILE A 18 -0.485 -6.556 -11.195 1.00 25.31 H new ATOM 0 HG21 ILE A 18 2.129 -6.008 -8.538 1.00 3.41 H new ATOM 0 HG22 ILE A 18 2.055 -7.700 -7.991 1.00 3.41 H new ATOM 0 HG23 ILE A 18 2.656 -7.317 -9.622 1.00 3.41 H new ATOM 0 HD11 ILE A 18 -0.136 -4.142 -11.010 1.00 20.33 H new ATOM 0 HD12 ILE A 18 -0.922 -4.774 -9.543 1.00 20.33 H new ATOM 0 HD13 ILE A 18 0.814 -4.381 -9.524 1.00 20.33 H new ATOM 300 N GLN A 19 1.719 -9.995 -8.521 1.00 43.30 N ATOM 301 CA GLN A 19 2.078 -10.899 -7.435 1.00 64.21 C ATOM 302 C GLN A 19 3.156 -10.284 -6.548 1.00 14.11 C ATOM 303 O GLN A 19 4.215 -9.884 -7.030 1.00 12.43 O ATOM 304 CB GLN A 19 2.566 -12.236 -7.997 1.00 34.04 C ATOM 305 CG GLN A 19 3.719 -12.100 -8.978 1.00 13.22 C ATOM 306 CD GLN A 19 3.275 -12.233 -10.421 1.00 65.14 C ATOM 307 OE1 GLN A 19 3.954 -12.860 -11.236 1.00 11.22 O ATOM 308 NE2 GLN A 19 2.131 -11.643 -10.747 1.00 22.05 N ATOM 0 H GLN A 19 2.491 -9.755 -9.143 1.00 43.30 H new ATOM 0 HA GLN A 19 1.188 -11.070 -6.829 1.00 64.21 H new ATOM 0 HB2 GLN A 19 2.876 -12.876 -7.171 1.00 34.04 H new ATOM 0 HB3 GLN A 19 1.735 -12.737 -8.493 1.00 34.04 H new ATOM 0 HG2 GLN A 19 4.199 -11.131 -8.837 1.00 13.22 H new ATOM 0 HG3 GLN A 19 4.468 -12.861 -8.760 1.00 13.22 H new ATOM 0 HE21 GLN A 19 1.600 -11.134 -10.040 1.00 22.05 H new ATOM 0 HE22 GLN A 19 1.783 -11.699 -11.704 1.00 22.05 H new ATOM 317 N GLN A 20 2.877 -10.212 -5.250 1.00 54.14 N ATOM 318 CA GLN A 20 3.822 -9.644 -4.297 1.00 21.03 C ATOM 319 C GLN A 20 4.303 -10.703 -3.310 1.00 71.34 C ATOM 320 O GLN A 20 4.043 -11.893 -3.488 1.00 45.12 O ATOM 321 CB GLN A 20 3.179 -8.480 -3.540 1.00 62.32 C ATOM 322 CG GLN A 20 2.013 -8.898 -2.659 1.00 53.34 C ATOM 323 CD GLN A 20 1.743 -7.910 -1.541 1.00 24.41 C ATOM 324 OE1 GLN A 20 0.614 -7.454 -1.359 1.00 5.14 O ATOM 325 NE2 GLN A 20 2.782 -7.575 -0.784 1.00 72.12 N ATOM 0 H GLN A 20 2.005 -10.540 -4.835 1.00 54.14 H new ATOM 0 HA GLN A 20 4.683 -9.275 -4.854 1.00 21.03 H new ATOM 0 HB2 GLN A 20 3.936 -7.997 -2.922 1.00 62.32 H new ATOM 0 HB3 GLN A 20 2.833 -7.737 -4.259 1.00 62.32 H new ATOM 0 HG2 GLN A 20 1.118 -9.001 -3.272 1.00 53.34 H new ATOM 0 HG3 GLN A 20 2.220 -9.879 -2.230 1.00 53.34 H new ATOM 0 HE21 GLN A 20 3.700 -7.978 -0.971 1.00 72.12 H new ATOM 0 HE22 GLN A 20 2.661 -6.915 -0.016 1.00 72.12 H new ATOM 397 N VAL A 26 -3.172 -9.719 -7.604 1.00 74.32 N ATOM 398 CA VAL A 26 -3.969 -8.586 -7.151 1.00 12.51 C ATOM 399 C VAL A 26 -4.783 -7.993 -8.296 1.00 1.12 C ATOM 400 O VAL A 26 -4.351 -8.002 -9.449 1.00 4.44 O ATOM 401 CB VAL A 26 -3.082 -7.484 -6.542 1.00 42.51 C ATOM 402 CG1 VAL A 26 -2.535 -6.575 -7.633 1.00 23.14 C ATOM 403 CG2 VAL A 26 -3.861 -6.682 -5.510 1.00 70.13 C ATOM 0 HA VAL A 26 -4.647 -8.962 -6.385 1.00 12.51 H new ATOM 0 HB VAL A 26 -2.239 -7.957 -6.039 1.00 42.51 H new ATOM 0 HG11 VAL A 26 -1.911 -5.803 -7.184 1.00 23.14 H new ATOM 0 HG12 VAL A 26 -1.939 -7.163 -8.331 1.00 23.14 H new ATOM 0 HG13 VAL A 26 -3.363 -6.108 -8.166 1.00 23.14 H new ATOM 0 HG21 VAL A 26 -3.219 -5.908 -5.090 1.00 70.13 H new ATOM 0 HG22 VAL A 26 -4.725 -6.218 -5.986 1.00 70.13 H new ATOM 0 HG23 VAL A 26 -4.199 -7.345 -4.713 1.00 70.13 H new ATOM 413 N PHE A 27 -5.964 -7.478 -7.970 1.00 42.33 N ATOM 414 CA PHE A 27 -6.840 -6.880 -8.972 1.00 25.42 C ATOM 415 C PHE A 27 -6.300 -5.528 -9.429 1.00 71.31 C ATOM 416 O PHE A 27 -6.237 -4.577 -8.650 1.00 41.24 O ATOM 417 CB PHE A 27 -8.253 -6.715 -8.410 1.00 52.22 C ATOM 418 CG PHE A 27 -9.331 -6.872 -9.444 1.00 72.52 C ATOM 419 CD1 PHE A 27 -9.860 -8.121 -9.728 1.00 32.45 C ATOM 420 CD2 PHE A 27 -9.816 -5.772 -10.132 1.00 41.12 C ATOM 421 CE1 PHE A 27 -10.852 -8.269 -10.679 1.00 64.20 C ATOM 422 CE2 PHE A 27 -10.808 -5.914 -11.085 1.00 3.54 C ATOM 423 CZ PHE A 27 -11.327 -7.164 -11.357 1.00 42.15 C ATOM 0 H PHE A 27 -6.337 -7.463 -7.021 1.00 42.33 H new ATOM 0 HA PHE A 27 -6.875 -7.547 -9.834 1.00 25.42 H new ATOM 0 HB2 PHE A 27 -8.409 -7.449 -7.620 1.00 52.22 H new ATOM 0 HB3 PHE A 27 -8.341 -5.730 -7.952 1.00 52.22 H new ATOM 0 HD1 PHE A 27 -9.493 -8.989 -9.200 1.00 32.45 H new ATOM 0 HD2 PHE A 27 -9.415 -4.792 -9.922 1.00 41.12 H new ATOM 0 HE1 PHE A 27 -11.255 -9.248 -10.892 1.00 64.20 H new ATOM 0 HE2 PHE A 27 -11.176 -5.048 -11.616 1.00 3.54 H new ATOM 0 HZ PHE A 27 -12.103 -7.277 -12.099 1.00 42.15 H new ATOM 433 N VAL A 28 -5.911 -5.451 -10.698 1.00 35.31 N ATOM 434 CA VAL A 28 -5.378 -4.217 -11.260 1.00 43.35 C ATOM 435 C VAL A 28 -6.101 -3.842 -12.549 1.00 63.44 C ATOM 436 O VAL A 28 -6.494 -4.712 -13.328 1.00 52.51 O ATOM 437 CB VAL A 28 -3.869 -4.337 -11.547 1.00 51.32 C ATOM 438 CG1 VAL A 28 -3.258 -5.465 -10.731 1.00 34.43 C ATOM 439 CG2 VAL A 28 -3.625 -4.550 -13.033 1.00 71.24 C ATOM 0 H VAL A 28 -5.955 -6.229 -11.356 1.00 35.31 H new ATOM 0 HA VAL A 28 -5.538 -3.436 -10.517 1.00 43.35 H new ATOM 0 HB VAL A 28 -3.386 -3.405 -11.253 1.00 51.32 H new ATOM 0 HG11 VAL A 28 -2.192 -5.534 -10.947 1.00 34.43 H new ATOM 0 HG12 VAL A 28 -3.401 -5.265 -9.669 1.00 34.43 H new ATOM 0 HG13 VAL A 28 -3.743 -6.406 -10.991 1.00 34.43 H new ATOM 0 HG21 VAL A 28 -2.554 -4.633 -13.218 1.00 71.24 H new ATOM 0 HG22 VAL A 28 -4.121 -5.466 -13.355 1.00 71.24 H new ATOM 0 HG23 VAL A 28 -4.025 -3.704 -13.592 1.00 71.24 H new ATOM 449 N HIS A 29 -6.272 -2.543 -12.769 1.00 52.34 N ATOM 450 CA HIS A 29 -6.947 -2.052 -13.966 1.00 34.43 C ATOM 451 C HIS A 29 -6.328 -0.741 -14.440 1.00 61.44 C ATOM 452 O HIS A 29 -5.634 -0.061 -13.684 1.00 70.23 O ATOM 453 CB HIS A 29 -8.438 -1.855 -13.691 1.00 35.22 C ATOM 454 CG HIS A 29 -9.286 -3.010 -14.128 1.00 21.34 C ATOM 455 ND1 HIS A 29 -10.204 -2.925 -15.153 1.00 12.22 N ATOM 456 CD2 HIS A 29 -9.349 -4.284 -13.673 1.00 13.30 C ATOM 457 CE1 HIS A 29 -10.797 -4.095 -15.309 1.00 21.13 C ATOM 458 NE2 HIS A 29 -10.296 -4.937 -14.423 1.00 63.22 N ATOM 0 H HIS A 29 -5.953 -1.811 -12.135 1.00 52.34 H new ATOM 0 HA HIS A 29 -6.825 -2.796 -14.753 1.00 34.43 H new ATOM 0 HB2 HIS A 29 -8.584 -1.692 -12.623 1.00 35.22 H new ATOM 0 HB3 HIS A 29 -8.777 -0.953 -14.200 1.00 35.22 H new ATOM 0 HD2 HIS A 29 -8.764 -4.707 -12.870 1.00 13.30 H new ATOM 0 HE1 HIS A 29 -11.561 -4.324 -16.037 1.00 21.13 H new ATOM 0 HE2 HIS A 29 -10.568 -5.914 -14.314 1.00 63.22 H new ATOM 466 N PHE A 30 -6.583 -0.393 -15.697 1.00 65.24 N ATOM 467 CA PHE A 30 -6.048 0.835 -16.274 1.00 14.35 C ATOM 468 C PHE A 30 -6.540 2.056 -15.502 1.00 52.51 C ATOM 469 O PHE A 30 -5.968 3.142 -15.604 1.00 2.23 O ATOM 470 CB PHE A 30 -6.452 0.951 -17.745 1.00 2.00 C ATOM 471 CG PHE A 30 -7.884 1.356 -17.944 1.00 14.13 C ATOM 472 CD1 PHE A 30 -8.911 0.456 -17.710 1.00 74.24 C ATOM 473 CD2 PHE A 30 -8.204 2.637 -18.364 1.00 61.04 C ATOM 474 CE1 PHE A 30 -10.231 0.825 -17.892 1.00 1.40 C ATOM 475 CE2 PHE A 30 -9.521 3.012 -18.547 1.00 54.43 C ATOM 476 CZ PHE A 30 -10.536 2.105 -18.312 1.00 11.20 C ATOM 0 H PHE A 30 -7.157 -0.944 -16.336 1.00 65.24 H new ATOM 0 HA PHE A 30 -4.961 0.796 -16.206 1.00 14.35 H new ATOM 0 HB2 PHE A 30 -5.806 1.679 -18.234 1.00 2.00 H new ATOM 0 HB3 PHE A 30 -6.282 -0.007 -18.237 1.00 2.00 H new ATOM 0 HD1 PHE A 30 -8.678 -0.546 -17.381 1.00 74.24 H new ATOM 0 HD2 PHE A 30 -7.415 3.350 -18.550 1.00 61.04 H new ATOM 0 HE1 PHE A 30 -11.022 0.114 -17.706 1.00 1.40 H new ATOM 0 HE2 PHE A 30 -9.757 4.014 -18.874 1.00 54.43 H new ATOM 0 HZ PHE A 30 -11.566 2.396 -18.456 1.00 11.20 H new ATOM 486 N THR A 31 -7.607 1.871 -14.730 1.00 43.41 N ATOM 487 CA THR A 31 -8.178 2.957 -13.943 1.00 23.45 C ATOM 488 C THR A 31 -7.517 3.048 -12.572 1.00 1.01 C ATOM 489 O THR A 31 -7.902 3.869 -11.740 1.00 53.01 O ATOM 490 CB THR A 31 -9.696 2.777 -13.757 1.00 13.22 C ATOM 491 OG1 THR A 31 -10.281 2.275 -14.963 1.00 73.42 O ATOM 492 CG2 THR A 31 -10.355 4.095 -13.379 1.00 3.52 C ATOM 0 H THR A 31 -8.093 0.979 -14.633 1.00 43.41 H new ATOM 0 HA THR A 31 -7.994 3.879 -14.495 1.00 23.45 H new ATOM 0 HB THR A 31 -9.858 2.063 -12.950 1.00 13.22 H new ATOM 0 HG1 THR A 31 -9.872 2.719 -15.735 1.00 73.42 H new ATOM 0 HG21 THR A 31 -11.427 3.943 -13.253 1.00 3.52 H new ATOM 0 HG22 THR A 31 -9.928 4.461 -12.445 1.00 3.52 H new ATOM 0 HG23 THR A 31 -10.183 4.827 -14.168 1.00 3.52 H new ATOM 500 N ALA A 32 -6.519 2.200 -12.343 1.00 52.34 N ATOM 501 CA ALA A 32 -5.803 2.188 -11.074 1.00 20.11 C ATOM 502 C ALA A 32 -4.297 2.285 -11.292 1.00 61.34 C ATOM 503 O ALA A 32 -3.521 2.289 -10.336 1.00 42.34 O ATOM 504 CB ALA A 32 -6.144 0.931 -10.288 1.00 34.24 C ATOM 0 H ALA A 32 -6.189 1.513 -13.020 1.00 52.34 H new ATOM 0 HA ALA A 32 -6.117 3.059 -10.500 1.00 20.11 H new ATOM 0 HB1 ALA A 32 -5.602 0.935 -9.342 1.00 34.24 H new ATOM 0 HB2 ALA A 32 -7.216 0.904 -10.092 1.00 34.24 H new ATOM 0 HB3 ALA A 32 -5.859 0.052 -10.866 1.00 34.24 H new ATOM 510 N ILE A 33 -3.891 2.361 -12.555 1.00 44.12 N ATOM 511 CA ILE A 33 -2.477 2.458 -12.898 1.00 12.12 C ATOM 512 C ILE A 33 -2.012 3.910 -12.905 1.00 43.21 C ATOM 513 O ILE A 33 -2.628 4.766 -13.539 1.00 12.25 O ATOM 514 CB ILE A 33 -2.187 1.831 -14.274 1.00 73.03 C ATOM 515 CG1 ILE A 33 -2.465 0.327 -14.242 1.00 73.35 C ATOM 516 CG2 ILE A 33 -0.748 2.101 -14.687 1.00 21.44 C ATOM 517 CD1 ILE A 33 -2.721 -0.270 -15.609 1.00 13.51 C ATOM 0 H ILE A 33 -4.521 2.357 -13.357 1.00 44.12 H new ATOM 0 HA ILE A 33 -1.928 1.907 -12.134 1.00 12.12 H new ATOM 0 HB ILE A 33 -2.847 2.288 -15.011 1.00 73.03 H new ATOM 0 HG12 ILE A 33 -1.616 -0.182 -13.786 1.00 73.35 H new ATOM 0 HG13 ILE A 33 -3.329 0.139 -13.605 1.00 73.35 H new ATOM 0 HG21 ILE A 33 -0.559 1.651 -15.662 1.00 21.44 H new ATOM 0 HG22 ILE A 33 -0.582 3.177 -14.745 1.00 21.44 H new ATOM 0 HG23 ILE A 33 -0.071 1.669 -13.950 1.00 21.44 H new ATOM 0 HD11 ILE A 33 -2.910 -1.339 -15.510 1.00 13.51 H new ATOM 0 HD12 ILE A 33 -3.589 0.212 -16.060 1.00 13.51 H new ATOM 0 HD13 ILE A 33 -1.849 -0.114 -16.243 1.00 13.51 H new ATOM 529 N GLU A 34 -0.919 4.179 -12.198 1.00 2.24 N ATOM 530 CA GLU A 34 -0.370 5.528 -12.124 1.00 12.21 C ATOM 531 C GLU A 34 0.948 5.622 -12.887 1.00 54.15 C ATOM 532 O GLU A 34 2.024 5.466 -12.311 1.00 74.41 O ATOM 533 CB GLU A 34 -0.157 5.937 -10.665 1.00 32.02 C ATOM 534 CG GLU A 34 -1.359 5.666 -9.775 1.00 41.42 C ATOM 535 CD GLU A 34 -1.893 6.924 -9.117 1.00 43.04 C ATOM 536 OE1 GLU A 34 -1.074 7.742 -8.649 1.00 14.33 O ATOM 537 OE2 GLU A 34 -3.130 7.090 -9.072 1.00 22.52 O ATOM 0 H GLU A 34 -0.396 3.481 -11.669 1.00 2.24 H new ATOM 0 HA GLU A 34 -1.086 6.209 -12.584 1.00 12.21 H new ATOM 0 HB2 GLU A 34 0.706 5.402 -10.269 1.00 32.02 H new ATOM 0 HB3 GLU A 34 0.081 7.000 -10.626 1.00 32.02 H new ATOM 0 HG2 GLU A 34 -2.150 5.207 -10.368 1.00 41.42 H new ATOM 0 HG3 GLU A 34 -1.081 4.947 -9.004 1.00 41.42 H new ATOM 631 N LEU A 41 1.548 -2.550 -18.975 1.00 3.20 N ATOM 632 CA LEU A 41 2.549 -3.335 -18.261 1.00 61.42 C ATOM 633 C LEU A 41 3.045 -4.494 -19.120 1.00 23.42 C ATOM 634 O LEU A 41 2.441 -4.829 -20.138 1.00 12.33 O ATOM 635 CB LEU A 41 1.968 -3.869 -16.951 1.00 13.12 C ATOM 636 CG LEU A 41 1.993 -2.905 -15.764 1.00 21.32 C ATOM 637 CD1 LEU A 41 1.210 -1.642 -16.085 1.00 41.21 C ATOM 638 CD2 LEU A 41 1.435 -3.578 -14.518 1.00 62.53 C ATOM 0 HA LEU A 41 3.394 -2.684 -18.037 1.00 61.42 H new ATOM 0 HB2 LEU A 41 0.935 -4.167 -17.130 1.00 13.12 H new ATOM 0 HB3 LEU A 41 2.516 -4.769 -16.674 1.00 13.12 H new ATOM 0 HG LEU A 41 3.029 -2.626 -15.569 1.00 21.32 H new ATOM 0 HD11 LEU A 41 1.239 -0.968 -15.229 1.00 41.21 H new ATOM 0 HD12 LEU A 41 1.654 -1.149 -16.950 1.00 41.21 H new ATOM 0 HD13 LEU A 41 0.175 -1.902 -16.307 1.00 41.21 H new ATOM 0 HD21 LEU A 41 1.461 -2.877 -13.684 1.00 62.53 H new ATOM 0 HD22 LEU A 41 0.406 -3.887 -14.701 1.00 62.53 H new ATOM 0 HD23 LEU A 41 2.038 -4.453 -14.276 1.00 62.53 H new ATOM 650 N ASN A 42 4.149 -5.105 -18.700 1.00 52.22 N ATOM 651 CA ASN A 42 4.726 -6.228 -19.430 1.00 35.11 C ATOM 652 C ASN A 42 4.967 -7.414 -18.501 1.00 74.10 C ATOM 653 O ASN A 42 5.604 -7.278 -17.457 1.00 51.54 O ATOM 654 CB ASN A 42 6.039 -5.811 -20.094 1.00 61.14 C ATOM 655 CG ASN A 42 5.970 -4.417 -20.687 1.00 3.23 C ATOM 656 OD1 ASN A 42 6.222 -3.426 -20.001 1.00 43.10 O ATOM 657 ND2 ASN A 42 5.627 -4.334 -21.967 1.00 24.30 N ATOM 0 H ASN A 42 4.661 -4.841 -17.858 1.00 52.22 H new ATOM 0 HA ASN A 42 4.017 -6.531 -20.201 1.00 35.11 H new ATOM 0 HB2 ASN A 42 6.843 -5.851 -19.359 1.00 61.14 H new ATOM 0 HB3 ASN A 42 6.289 -6.525 -20.879 1.00 61.14 H new ATOM 0 HD21 ASN A 42 5.564 -3.422 -22.420 1.00 24.30 H new ATOM 0 HD22 ASN A 42 5.427 -5.182 -22.497 1.00 24.30 H new ATOM 664 N GLU A 43 4.453 -8.577 -18.889 1.00 73.13 N ATOM 665 CA GLU A 43 4.612 -9.787 -18.091 1.00 3.32 C ATOM 666 C GLU A 43 6.081 -10.023 -17.749 1.00 34.11 C ATOM 667 O GLU A 43 6.939 -10.043 -18.630 1.00 1.52 O ATOM 668 CB GLU A 43 4.051 -10.997 -18.840 1.00 14.10 C ATOM 669 CG GLU A 43 4.250 -12.313 -18.107 1.00 14.33 C ATOM 670 CD GLU A 43 3.923 -13.516 -18.969 1.00 71.42 C ATOM 671 OE1 GLU A 43 2.878 -13.490 -19.652 1.00 55.32 O ATOM 672 OE2 GLU A 43 4.711 -14.484 -18.961 1.00 65.42 O ATOM 0 H GLU A 43 3.923 -8.707 -19.751 1.00 73.13 H new ATOM 0 HA GLU A 43 4.056 -9.655 -17.163 1.00 3.32 H new ATOM 0 HB2 GLU A 43 2.986 -10.845 -19.013 1.00 14.10 H new ATOM 0 HB3 GLU A 43 4.527 -11.060 -19.819 1.00 14.10 H new ATOM 0 HG2 GLU A 43 5.284 -12.383 -17.769 1.00 14.33 H new ATOM 0 HG3 GLU A 43 3.622 -12.327 -17.217 1.00 14.33 H new ATOM 679 N GLY A 44 6.361 -10.202 -16.461 1.00 42.15 N ATOM 680 CA GLY A 44 7.726 -10.434 -16.025 1.00 14.32 C ATOM 681 C GLY A 44 8.375 -9.184 -15.464 1.00 31.34 C ATOM 682 O GLY A 44 9.459 -9.248 -14.885 1.00 12.34 O ATOM 0 H GLY A 44 5.668 -10.190 -15.713 1.00 42.15 H new ATOM 0 HA2 GLY A 44 7.734 -11.216 -15.266 1.00 14.32 H new ATOM 0 HA3 GLY A 44 8.316 -10.800 -16.866 1.00 14.32 H new ATOM 686 N GLU A 45 7.711 -8.045 -15.637 1.00 24.42 N ATOM 687 CA GLU A 45 8.233 -6.776 -15.145 1.00 2.21 C ATOM 688 C GLU A 45 7.753 -6.505 -13.722 1.00 25.23 C ATOM 689 O GLU A 45 6.768 -7.086 -13.266 1.00 11.02 O ATOM 690 CB GLU A 45 7.804 -5.632 -16.066 1.00 0.54 C ATOM 691 CG GLU A 45 8.508 -4.317 -15.772 1.00 62.53 C ATOM 692 CD GLU A 45 8.845 -3.543 -17.031 1.00 44.53 C ATOM 693 OE1 GLU A 45 9.465 -4.130 -17.942 1.00 70.23 O ATOM 694 OE2 GLU A 45 8.489 -2.348 -17.105 1.00 50.22 O ATOM 0 H GLU A 45 6.812 -7.976 -16.114 1.00 24.42 H new ATOM 0 HA GLU A 45 9.321 -6.838 -15.137 1.00 2.21 H new ATOM 0 HB2 GLU A 45 8.000 -5.916 -17.100 1.00 0.54 H new ATOM 0 HB3 GLU A 45 6.728 -5.487 -15.974 1.00 0.54 H new ATOM 0 HG2 GLU A 45 7.873 -3.704 -15.132 1.00 62.53 H new ATOM 0 HG3 GLU A 45 9.424 -4.516 -15.216 1.00 62.53 H new ATOM 701 N HIS A 46 8.458 -5.620 -13.024 1.00 40.43 N ATOM 702 CA HIS A 46 8.105 -5.271 -11.653 1.00 31.34 C ATOM 703 C HIS A 46 7.249 -4.009 -11.616 1.00 1.32 C ATOM 704 O HIS A 46 7.505 -3.051 -12.346 1.00 25.11 O ATOM 705 CB HIS A 46 9.367 -5.070 -10.814 1.00 24.41 C ATOM 706 CG HIS A 46 10.564 -5.795 -11.349 1.00 74.51 C ATOM 707 ND1 HIS A 46 10.887 -7.086 -10.985 1.00 53.32 N ATOM 708 CD2 HIS A 46 11.516 -5.404 -12.228 1.00 22.25 C ATOM 709 CE1 HIS A 46 11.987 -7.456 -11.615 1.00 61.12 C ATOM 710 NE2 HIS A 46 12.389 -6.454 -12.376 1.00 1.11 N ATOM 0 H HIS A 46 9.277 -5.132 -13.386 1.00 40.43 H new ATOM 0 HA HIS A 46 7.526 -6.094 -11.233 1.00 31.34 H new ATOM 0 HB2 HIS A 46 9.592 -4.005 -10.760 1.00 24.41 H new ATOM 0 HB3 HIS A 46 9.174 -5.407 -9.796 1.00 24.41 H new ATOM 0 HD2 HIS A 46 11.578 -4.445 -12.721 1.00 22.25 H new ATOM 0 HE1 HIS A 46 12.475 -8.415 -11.524 1.00 61.12 H new ATOM 0 HE2 HIS A 46 13.214 -6.459 -12.976 1.00 1.11 H new ATOM 718 N VAL A 47 6.231 -4.014 -10.761 1.00 72.44 N ATOM 719 CA VAL A 47 5.337 -2.870 -10.629 1.00 44.22 C ATOM 720 C VAL A 47 4.675 -2.845 -9.256 1.00 64.11 C ATOM 721 O VAL A 47 4.328 -3.889 -8.705 1.00 61.13 O ATOM 722 CB VAL A 47 4.244 -2.883 -11.714 1.00 41.10 C ATOM 723 CG1 VAL A 47 4.867 -2.826 -13.101 1.00 13.04 C ATOM 724 CG2 VAL A 47 3.363 -4.114 -11.567 1.00 14.15 C ATOM 0 H VAL A 47 6.005 -4.798 -10.149 1.00 72.44 H new ATOM 0 HA VAL A 47 5.948 -1.976 -10.751 1.00 44.22 H new ATOM 0 HB VAL A 47 3.619 -1.999 -11.586 1.00 41.10 H new ATOM 0 HG11 VAL A 47 4.079 -2.836 -13.854 1.00 13.04 H new ATOM 0 HG12 VAL A 47 5.452 -1.912 -13.200 1.00 13.04 H new ATOM 0 HG13 VAL A 47 5.517 -3.689 -13.244 1.00 13.04 H new ATOM 0 HG21 VAL A 47 2.596 -4.107 -12.342 1.00 14.15 H new ATOM 0 HG22 VAL A 47 3.973 -5.012 -11.668 1.00 14.15 H new ATOM 0 HG23 VAL A 47 2.888 -4.106 -10.586 1.00 14.15 H new ATOM 734 N GLU A 48 4.503 -1.646 -8.710 1.00 4.55 N ATOM 735 CA GLU A 48 3.883 -1.486 -7.400 1.00 12.52 C ATOM 736 C GLU A 48 2.365 -1.396 -7.524 1.00 75.34 C ATOM 737 O GLU A 48 1.835 -1.083 -8.591 1.00 63.10 O ATOM 738 CB GLU A 48 4.423 -0.234 -6.704 1.00 72.13 C ATOM 739 CG GLU A 48 4.069 -0.157 -5.229 1.00 35.13 C ATOM 740 CD GLU A 48 4.631 1.081 -4.558 1.00 15.22 C ATOM 741 OE1 GLU A 48 4.540 2.174 -5.156 1.00 32.44 O ATOM 742 OE2 GLU A 48 5.161 0.957 -3.434 1.00 1.11 O ATOM 0 H GLU A 48 4.784 -0.772 -9.154 1.00 4.55 H new ATOM 0 HA GLU A 48 4.131 -2.362 -6.800 1.00 12.52 H new ATOM 0 HB2 GLU A 48 5.507 -0.209 -6.810 1.00 72.13 H new ATOM 0 HB3 GLU A 48 4.032 0.649 -7.209 1.00 72.13 H new ATOM 0 HG2 GLU A 48 2.985 -0.165 -5.119 1.00 35.13 H new ATOM 0 HG3 GLU A 48 4.448 -1.044 -4.722 1.00 35.13 H new ATOM 749 N PHE A 49 1.669 -1.675 -6.427 1.00 3.44 N ATOM 750 CA PHE A 49 0.212 -1.628 -6.412 1.00 51.32 C ATOM 751 C PHE A 49 -0.314 -1.479 -4.987 1.00 45.03 C ATOM 752 O PHE A 49 0.121 -2.185 -4.078 1.00 44.12 O ATOM 753 CB PHE A 49 -0.367 -2.892 -7.052 1.00 4.43 C ATOM 754 CG PHE A 49 -0.012 -4.152 -6.316 1.00 11.04 C ATOM 755 CD1 PHE A 49 1.195 -4.790 -6.550 1.00 21.52 C ATOM 756 CD2 PHE A 49 -0.886 -4.698 -5.389 1.00 42.12 C ATOM 757 CE1 PHE A 49 1.523 -5.951 -5.874 1.00 42.33 C ATOM 758 CE2 PHE A 49 -0.563 -5.858 -4.710 1.00 41.22 C ATOM 759 CZ PHE A 49 0.644 -6.484 -4.953 1.00 32.45 C ATOM 0 H PHE A 49 2.091 -1.936 -5.536 1.00 3.44 H new ATOM 0 HA PHE A 49 -0.104 -0.759 -6.989 1.00 51.32 H new ATOM 0 HB2 PHE A 49 -1.452 -2.802 -7.099 1.00 4.43 H new ATOM 0 HB3 PHE A 49 -0.009 -2.967 -8.079 1.00 4.43 H new ATOM 0 HD1 PHE A 49 1.887 -4.376 -7.268 1.00 21.52 H new ATOM 0 HD2 PHE A 49 -1.830 -4.211 -5.195 1.00 42.12 H new ATOM 0 HE1 PHE A 49 2.466 -6.440 -6.067 1.00 42.33 H new ATOM 0 HE2 PHE A 49 -1.253 -6.274 -3.991 1.00 41.22 H new ATOM 0 HZ PHE A 49 0.900 -7.390 -4.423 1.00 32.45 H new ATOM 769 N GLU A 50 -1.251 -0.555 -4.802 1.00 40.20 N ATOM 770 CA GLU A 50 -1.835 -0.312 -3.488 1.00 25.41 C ATOM 771 C GLU A 50 -3.171 -1.035 -3.344 1.00 63.31 C ATOM 772 O GLU A 50 -4.200 -0.562 -3.825 1.00 73.13 O ATOM 773 CB GLU A 50 -2.027 1.188 -3.260 1.00 10.33 C ATOM 774 CG GLU A 50 -1.178 1.746 -2.130 1.00 10.03 C ATOM 775 CD GLU A 50 -1.621 1.249 -0.767 1.00 41.13 C ATOM 776 OE1 GLU A 50 -2.382 0.261 -0.714 1.00 74.12 O ATOM 777 OE2 GLU A 50 -1.205 1.849 0.246 1.00 31.02 O ATOM 0 H GLU A 50 -1.622 0.037 -5.545 1.00 40.20 H new ATOM 0 HA GLU A 50 -1.148 -0.701 -2.736 1.00 25.41 H new ATOM 0 HB2 GLU A 50 -1.787 1.720 -4.180 1.00 10.33 H new ATOM 0 HB3 GLU A 50 -3.078 1.382 -3.044 1.00 10.33 H new ATOM 0 HG2 GLU A 50 -0.136 1.469 -2.292 1.00 10.03 H new ATOM 0 HG3 GLU A 50 -1.225 2.835 -2.149 1.00 10.03 H new ATOM 784 N VAL A 51 -3.146 -2.186 -2.679 1.00 2.12 N ATOM 785 CA VAL A 51 -4.354 -2.975 -2.471 1.00 10.15 C ATOM 786 C VAL A 51 -5.369 -2.213 -1.625 1.00 24.50 C ATOM 787 O VAL A 51 -5.057 -1.760 -0.524 1.00 54.55 O ATOM 788 CB VAL A 51 -4.036 -4.318 -1.786 1.00 54.32 C ATOM 789 CG1 VAL A 51 -3.178 -5.188 -2.691 1.00 22.32 C ATOM 790 CG2 VAL A 51 -3.350 -4.084 -0.449 1.00 20.42 C ATOM 0 H VAL A 51 -2.302 -2.592 -2.275 1.00 2.12 H new ATOM 0 HA VAL A 51 -4.779 -3.169 -3.456 1.00 10.15 H new ATOM 0 HB VAL A 51 -4.973 -4.843 -1.600 1.00 54.32 H new ATOM 0 HG11 VAL A 51 -2.963 -6.132 -2.191 1.00 22.32 H new ATOM 0 HG12 VAL A 51 -3.712 -5.383 -3.621 1.00 22.32 H new ATOM 0 HG13 VAL A 51 -2.243 -4.673 -2.911 1.00 22.32 H new ATOM 0 HG21 VAL A 51 -3.133 -5.043 0.021 1.00 20.42 H new ATOM 0 HG22 VAL A 51 -2.420 -3.539 -0.608 1.00 20.42 H new ATOM 0 HG23 VAL A 51 -4.005 -3.502 0.199 1.00 20.42 H new ATOM 800 N GLU A 52 -6.584 -2.078 -2.147 1.00 64.34 N ATOM 801 CA GLU A 52 -7.644 -1.371 -1.440 1.00 33.15 C ATOM 802 C GLU A 52 -8.823 -2.298 -1.159 1.00 75.33 C ATOM 803 O GLU A 52 -9.002 -3.330 -1.806 1.00 64.54 O ATOM 804 CB GLU A 52 -8.113 -0.163 -2.253 1.00 74.12 C ATOM 805 CG GLU A 52 -7.346 1.112 -1.947 1.00 41.02 C ATOM 806 CD GLU A 52 -7.340 1.449 -0.469 1.00 32.13 C ATOM 807 OE1 GLU A 52 -6.422 0.989 0.242 1.00 50.14 O ATOM 808 OE2 GLU A 52 -8.255 2.173 -0.022 1.00 43.14 O ATOM 0 H GLU A 52 -6.858 -2.449 -3.057 1.00 64.34 H new ATOM 0 HA GLU A 52 -7.242 -1.024 -0.488 1.00 33.15 H new ATOM 0 HB2 GLU A 52 -8.015 -0.390 -3.315 1.00 74.12 H new ATOM 0 HB3 GLU A 52 -9.172 0.005 -2.060 1.00 74.12 H new ATOM 0 HG2 GLU A 52 -6.319 1.006 -2.296 1.00 41.02 H new ATOM 0 HG3 GLU A 52 -7.788 1.939 -2.503 1.00 41.02 H new ATOM 815 N PRO A 53 -9.649 -1.923 -0.171 1.00 22.02 N ATOM 816 CA PRO A 53 -10.825 -2.706 0.219 1.00 71.35 C ATOM 817 C PRO A 53 -11.921 -2.673 -0.841 1.00 42.55 C ATOM 818 O PRO A 53 -11.955 -3.512 -1.740 1.00 31.43 O ATOM 819 CB PRO A 53 -11.300 -2.019 1.501 1.00 54.21 C ATOM 820 CG PRO A 53 -10.800 -0.620 1.389 1.00 72.13 C ATOM 821 CD PRO A 53 -9.497 -0.705 0.643 1.00 54.14 C ATOM 0 HA PRO A 53 -10.587 -3.762 0.349 1.00 71.35 H new ATOM 0 HB2 PRO A 53 -12.386 -2.046 1.585 1.00 54.21 H new ATOM 0 HB3 PRO A 53 -10.900 -2.513 2.386 1.00 54.21 H new ATOM 0 HG2 PRO A 53 -11.514 0.008 0.857 1.00 72.13 H new ATOM 0 HG3 PRO A 53 -10.657 -0.176 2.374 1.00 72.13 H new ATOM 0 HD2 PRO A 53 -9.331 0.175 0.022 1.00 54.14 H new ATOM 0 HD3 PRO A 53 -8.649 -0.779 1.323 1.00 54.14 H new ATOM 829 N GLY A 54 -12.815 -1.695 -0.731 1.00 35.14 N ATOM 830 CA GLY A 54 -13.900 -1.570 -1.687 1.00 31.43 C ATOM 831 C GLY A 54 -13.461 -0.909 -2.978 1.00 55.21 C ATOM 832 O GLY A 54 -13.975 0.147 -3.348 1.00 11.10 O ATOM 0 H GLY A 54 -12.807 -0.987 0.003 1.00 35.14 H new ATOM 0 HA2 GLY A 54 -14.302 -2.559 -1.907 1.00 31.43 H new ATOM 0 HA3 GLY A 54 -14.708 -0.989 -1.241 1.00 31.43 H new ATOM 836 N ARG A 55 -12.508 -1.530 -3.665 1.00 11.40 N ATOM 837 CA ARG A 55 -11.998 -0.993 -4.921 1.00 14.41 C ATOM 838 C ARG A 55 -11.968 -2.071 -6.000 1.00 45.44 C ATOM 839 O ARG A 55 -12.286 -1.812 -7.160 1.00 53.30 O ATOM 840 CB ARG A 55 -10.596 -0.415 -4.722 1.00 22.25 C ATOM 841 CG ARG A 55 -10.409 0.959 -5.344 1.00 23.21 C ATOM 842 CD ARG A 55 -11.184 2.024 -4.585 1.00 54.34 C ATOM 843 NE ARG A 55 -10.612 2.284 -3.267 1.00 60.31 N ATOM 844 CZ ARG A 55 -11.158 3.105 -2.377 1.00 52.14 C ATOM 845 NH1 ARG A 55 -12.285 3.743 -2.663 1.00 62.13 N ATOM 846 NH2 ARG A 55 -10.578 3.289 -1.199 1.00 4.34 N ATOM 0 H ARG A 55 -12.073 -2.405 -3.373 1.00 11.40 H new ATOM 0 HA ARG A 55 -12.668 -0.197 -5.246 1.00 14.41 H new ATOM 0 HB2 ARG A 55 -10.386 -0.353 -3.654 1.00 22.25 H new ATOM 0 HB3 ARG A 55 -9.865 -1.101 -5.151 1.00 22.25 H new ATOM 0 HG2 ARG A 55 -9.349 1.215 -5.352 1.00 23.21 H new ATOM 0 HG3 ARG A 55 -10.740 0.938 -6.382 1.00 23.21 H new ATOM 0 HD2 ARG A 55 -11.193 2.947 -5.164 1.00 54.34 H new ATOM 0 HD3 ARG A 55 -12.221 1.707 -4.474 1.00 54.34 H new ATOM 0 HE ARG A 55 -9.745 1.809 -3.016 1.00 60.31 H new ATOM 0 HH11 ARG A 55 -12.734 3.604 -3.568 1.00 62.13 H new ATOM 0 HH12 ARG A 55 -12.702 4.373 -1.978 1.00 62.13 H new ATOM 0 HH21 ARG A 55 -9.711 2.800 -0.975 1.00 4.34 H new ATOM 0 HH22 ARG A 55 -10.998 3.920 -0.517 1.00 4.34 H new ATOM 860 N GLY A 56 -11.581 -3.281 -5.610 1.00 25.42 N ATOM 861 CA GLY A 56 -11.514 -4.380 -6.556 1.00 34.04 C ATOM 862 C GLY A 56 -12.603 -5.410 -6.325 1.00 43.32 C ATOM 863 O GLY A 56 -13.040 -5.618 -5.195 1.00 35.14 O ATOM 0 H GLY A 56 -11.312 -3.520 -4.656 1.00 25.42 H new ATOM 0 HA2 GLY A 56 -11.597 -3.988 -7.570 1.00 34.04 H new ATOM 0 HA3 GLY A 56 -10.540 -4.862 -6.480 1.00 34.04 H new ATOM 867 N GLY A 57 -13.042 -6.055 -7.401 1.00 73.15 N ATOM 868 CA GLY A 57 -14.084 -7.059 -7.290 1.00 60.42 C ATOM 869 C GLY A 57 -13.803 -8.067 -6.193 1.00 60.12 C ATOM 870 O GLY A 57 -14.608 -8.242 -5.279 1.00 15.24 O ATOM 0 H GLY A 57 -12.695 -5.900 -8.348 1.00 73.15 H new ATOM 0 HA2 GLY A 57 -15.037 -6.569 -7.093 1.00 60.42 H new ATOM 0 HA3 GLY A 57 -14.184 -7.581 -8.242 1.00 60.42 H new ATOM 874 N LYS A 58 -12.657 -8.734 -6.284 1.00 74.10 N ATOM 875 CA LYS A 58 -12.271 -9.731 -5.292 1.00 51.33 C ATOM 876 C LYS A 58 -11.920 -9.069 -3.964 1.00 2.42 C ATOM 877 O LYS A 58 -11.760 -9.742 -2.947 1.00 3.12 O ATOM 878 CB LYS A 58 -11.080 -10.548 -5.798 1.00 0.04 C ATOM 879 CG LYS A 58 -11.352 -11.277 -7.102 1.00 31.11 C ATOM 880 CD LYS A 58 -12.175 -12.535 -6.877 1.00 4.34 C ATOM 881 CE LYS A 58 -13.624 -12.335 -7.293 1.00 1.25 C ATOM 882 NZ LYS A 58 -13.838 -12.656 -8.731 1.00 4.11 N ATOM 0 H LYS A 58 -11.979 -8.602 -7.035 1.00 74.10 H new ATOM 0 HA LYS A 58 -13.119 -10.397 -5.132 1.00 51.33 H new ATOM 0 HB2 LYS A 58 -10.226 -9.884 -5.934 1.00 0.04 H new ATOM 0 HB3 LYS A 58 -10.800 -11.276 -5.036 1.00 0.04 H new ATOM 0 HG2 LYS A 58 -11.880 -10.614 -7.787 1.00 31.11 H new ATOM 0 HG3 LYS A 58 -10.407 -11.540 -7.577 1.00 31.11 H new ATOM 0 HD2 LYS A 58 -11.743 -13.360 -7.444 1.00 4.34 H new ATOM 0 HD3 LYS A 58 -12.133 -12.815 -5.824 1.00 4.34 H new ATOM 0 HE2 LYS A 58 -14.268 -12.966 -6.680 1.00 1.25 H new ATOM 0 HE3 LYS A 58 -13.917 -11.302 -7.104 1.00 1.25 H new ATOM 0 HZ1 LYS A 58 -14.838 -12.507 -8.975 1.00 4.11 H new ATOM 0 HZ2 LYS A 58 -13.243 -12.037 -9.317 1.00 4.11 H new ATOM 0 HZ3 LYS A 58 -13.583 -13.649 -8.907 1.00 4.11 H new ATOM 896 N GLY A 59 -11.803 -7.744 -3.980 1.00 62.13 N ATOM 897 CA GLY A 59 -11.473 -7.013 -2.771 1.00 22.53 C ATOM 898 C GLY A 59 -10.228 -6.163 -2.929 1.00 13.54 C ATOM 899 O GLY A 59 -10.301 -4.951 -3.133 1.00 41.42 O ATOM 0 H GLY A 59 -11.931 -7.164 -4.809 1.00 62.13 H new ATOM 0 HA2 GLY A 59 -12.312 -6.375 -2.496 1.00 22.53 H new ATOM 0 HA3 GLY A 59 -11.327 -7.718 -1.953 1.00 22.53 H new ATOM 903 N PRO A 60 -9.053 -6.802 -2.831 1.00 53.15 N ATOM 904 CA PRO A 60 -7.765 -6.115 -2.961 1.00 0.43 C ATOM 905 C PRO A 60 -7.501 -5.641 -4.386 1.00 61.20 C ATOM 906 O PRO A 60 -7.320 -6.451 -5.295 1.00 32.34 O ATOM 907 CB PRO A 60 -6.749 -7.186 -2.556 1.00 52.13 C ATOM 908 CG PRO A 60 -7.429 -8.480 -2.844 1.00 63.00 C ATOM 909 CD PRO A 60 -8.892 -8.245 -2.588 1.00 62.35 C ATOM 0 HA PRO A 60 -7.721 -5.213 -2.350 1.00 0.43 H new ATOM 0 HB2 PRO A 60 -5.824 -7.090 -3.124 1.00 52.13 H new ATOM 0 HB3 PRO A 60 -6.485 -7.103 -1.502 1.00 52.13 H new ATOM 0 HG2 PRO A 60 -7.258 -8.790 -3.875 1.00 63.00 H new ATOM 0 HG3 PRO A 60 -7.044 -9.274 -2.205 1.00 63.00 H new ATOM 0 HD2 PRO A 60 -9.517 -8.837 -3.256 1.00 62.35 H new ATOM 0 HD3 PRO A 60 -9.170 -8.514 -1.569 1.00 62.35 H new ATOM 917 N GLN A 61 -7.480 -4.326 -4.573 1.00 42.53 N ATOM 918 CA GLN A 61 -7.238 -3.746 -5.889 1.00 42.51 C ATOM 919 C GLN A 61 -5.954 -2.922 -5.893 1.00 71.23 C ATOM 920 O GLN A 61 -5.413 -2.593 -4.838 1.00 51.33 O ATOM 921 CB GLN A 61 -8.420 -2.871 -6.309 1.00 52.34 C ATOM 922 CG GLN A 61 -8.814 -3.040 -7.768 1.00 34.33 C ATOM 923 CD GLN A 61 -9.721 -1.929 -8.260 1.00 65.33 C ATOM 924 OE1 GLN A 61 -9.837 -0.881 -7.626 1.00 14.52 O ATOM 925 NE2 GLN A 61 -10.368 -2.154 -9.398 1.00 10.43 N ATOM 0 H GLN A 61 -7.627 -3.642 -3.831 1.00 42.53 H new ATOM 0 HA GLN A 61 -7.127 -4.562 -6.603 1.00 42.51 H new ATOM 0 HB2 GLN A 61 -9.278 -3.108 -5.680 1.00 52.34 H new ATOM 0 HB3 GLN A 61 -8.170 -1.826 -6.127 1.00 52.34 H new ATOM 0 HG2 GLN A 61 -7.914 -3.068 -8.382 1.00 34.33 H new ATOM 0 HG3 GLN A 61 -9.317 -3.998 -7.896 1.00 34.33 H new ATOM 0 HE21 GLN A 61 -10.241 -3.038 -9.890 1.00 10.43 H new ATOM 0 HE22 GLN A 61 -10.991 -1.442 -9.780 1.00 10.43 H new ATOM 934 N ALA A 62 -5.472 -2.594 -7.087 1.00 44.43 N ATOM 935 CA ALA A 62 -4.252 -1.807 -7.229 1.00 34.54 C ATOM 936 C ALA A 62 -4.562 -0.314 -7.253 1.00 64.41 C ATOM 937 O ALA A 62 -4.227 0.384 -8.210 1.00 43.11 O ATOM 938 CB ALA A 62 -3.505 -2.214 -8.490 1.00 32.50 C ATOM 0 H ALA A 62 -5.907 -2.861 -7.970 1.00 44.43 H new ATOM 0 HA ALA A 62 -3.618 -2.006 -6.365 1.00 34.54 H new ATOM 0 HB1 ALA A 62 -2.597 -1.619 -8.583 1.00 32.50 H new ATOM 0 HB2 ALA A 62 -3.242 -3.270 -8.432 1.00 32.50 H new ATOM 0 HB3 ALA A 62 -4.140 -2.045 -9.360 1.00 32.50 H new ATOM 944 N LYS A 63 -5.203 0.170 -6.195 1.00 74.51 N ATOM 945 CA LYS A 63 -5.558 1.580 -6.094 1.00 40.21 C ATOM 946 C LYS A 63 -4.428 2.464 -6.613 1.00 21.25 C ATOM 947 O LYS A 63 -4.657 3.390 -7.391 1.00 20.03 O ATOM 948 CB LYS A 63 -5.879 1.944 -4.643 1.00 31.24 C ATOM 949 CG LYS A 63 -5.947 3.440 -4.391 1.00 50.22 C ATOM 950 CD LYS A 63 -6.934 4.119 -5.327 1.00 24.42 C ATOM 951 CE LYS A 63 -8.347 3.596 -5.121 1.00 30.15 C ATOM 952 NZ LYS A 63 -9.333 4.703 -4.983 1.00 13.13 N ATOM 0 H LYS A 63 -5.488 -0.394 -5.394 1.00 74.51 H new ATOM 0 HA LYS A 63 -6.442 1.751 -6.709 1.00 40.21 H new ATOM 0 HB2 LYS A 63 -6.833 1.494 -4.367 1.00 31.24 H new ATOM 0 HB3 LYS A 63 -5.121 1.509 -3.992 1.00 31.24 H new ATOM 0 HG2 LYS A 63 -6.240 3.623 -3.357 1.00 50.22 H new ATOM 0 HG3 LYS A 63 -4.958 3.878 -4.524 1.00 50.22 H new ATOM 0 HD2 LYS A 63 -6.915 5.196 -5.158 1.00 24.42 H new ATOM 0 HD3 LYS A 63 -6.630 3.953 -6.361 1.00 24.42 H new ATOM 0 HE2 LYS A 63 -8.627 2.963 -5.964 1.00 30.15 H new ATOM 0 HE3 LYS A 63 -8.376 2.970 -4.229 1.00 30.15 H new ATOM 0 HZ1 LYS A 63 -9.765 4.667 -4.038 1.00 13.13 H new ATOM 0 HZ2 LYS A 63 -8.850 5.616 -5.108 1.00 13.13 H new ATOM 0 HZ3 LYS A 63 -10.073 4.601 -5.706 1.00 13.13 H new ATOM 966 N LYS A 64 -3.207 2.171 -6.178 1.00 10.04 N ATOM 967 CA LYS A 64 -2.040 2.937 -6.599 1.00 61.54 C ATOM 968 C LYS A 64 -0.974 2.021 -7.192 1.00 23.21 C ATOM 969 O LYS A 64 -0.238 1.356 -6.463 1.00 65.40 O ATOM 970 CB LYS A 64 -1.459 3.714 -5.416 1.00 33.01 C ATOM 971 CG LYS A 64 -0.981 5.109 -5.780 1.00 65.54 C ATOM 972 CD LYS A 64 -2.139 6.013 -6.167 1.00 30.32 C ATOM 973 CE LYS A 64 -3.111 6.198 -5.011 1.00 45.33 C ATOM 974 NZ LYS A 64 -4.166 7.199 -5.330 1.00 13.03 N ATOM 0 H LYS A 64 -3.000 1.408 -5.534 1.00 10.04 H new ATOM 0 HA LYS A 64 -2.357 3.642 -7.367 1.00 61.54 H new ATOM 0 HB2 LYS A 64 -2.216 3.791 -4.636 1.00 33.01 H new ATOM 0 HB3 LYS A 64 -0.625 3.151 -4.997 1.00 33.01 H new ATOM 0 HG2 LYS A 64 -0.446 5.543 -4.935 1.00 65.54 H new ATOM 0 HG3 LYS A 64 -0.274 5.048 -6.607 1.00 65.54 H new ATOM 0 HD2 LYS A 64 -1.755 6.984 -6.480 1.00 30.32 H new ATOM 0 HD3 LYS A 64 -2.665 5.587 -7.022 1.00 30.32 H new ATOM 0 HE2 LYS A 64 -3.577 5.242 -4.772 1.00 45.33 H new ATOM 0 HE3 LYS A 64 -2.564 6.517 -4.124 1.00 45.33 H new ATOM 0 HZ1 LYS A 64 -4.808 7.297 -4.518 1.00 13.03 H new ATOM 0 HZ2 LYS A 64 -3.723 8.118 -5.534 1.00 13.03 H new ATOM 0 HZ3 LYS A 64 -4.705 6.883 -6.161 1.00 13.03 H new ATOM 988 N VAL A 65 -0.895 1.992 -8.519 1.00 11.34 N ATOM 989 CA VAL A 65 0.083 1.160 -9.209 1.00 1.12 C ATOM 990 C VAL A 65 1.207 2.006 -9.797 1.00 53.12 C ATOM 991 O VAL A 65 0.978 3.123 -10.261 1.00 45.32 O ATOM 992 CB VAL A 65 -0.573 0.341 -10.337 1.00 3.35 C ATOM 993 CG1 VAL A 65 0.182 0.532 -11.643 1.00 62.33 C ATOM 994 CG2 VAL A 65 -0.636 -1.131 -9.958 1.00 14.32 C ATOM 0 H VAL A 65 -1.497 2.536 -9.137 1.00 11.34 H new ATOM 0 HA VAL A 65 0.497 0.477 -8.467 1.00 1.12 H new ATOM 0 HB VAL A 65 -1.592 0.700 -10.479 1.00 3.35 H new ATOM 0 HG11 VAL A 65 -0.296 -0.054 -12.428 1.00 62.33 H new ATOM 0 HG12 VAL A 65 0.171 1.586 -11.919 1.00 62.33 H new ATOM 0 HG13 VAL A 65 1.213 0.201 -11.519 1.00 62.33 H new ATOM 0 HG21 VAL A 65 -1.102 -1.695 -10.766 1.00 14.32 H new ATOM 0 HG22 VAL A 65 0.373 -1.507 -9.788 1.00 14.32 H new ATOM 0 HG23 VAL A 65 -1.224 -1.247 -9.048 1.00 14.32 H new ATOM 1004 N ARG A 66 2.421 1.466 -9.775 1.00 34.31 N ATOM 1005 CA ARG A 66 3.581 2.171 -10.306 1.00 12.23 C ATOM 1006 C ARG A 66 4.418 1.252 -11.190 1.00 43.12 C ATOM 1007 O ARG A 66 4.423 0.035 -11.008 1.00 63.40 O ATOM 1008 CB ARG A 66 4.439 2.718 -9.163 1.00 73.31 C ATOM 1009 CG ARG A 66 4.340 4.225 -8.994 1.00 71.04 C ATOM 1010 CD ARG A 66 5.262 4.955 -9.958 1.00 41.12 C ATOM 1011 NE ARG A 66 6.670 4.748 -9.631 1.00 43.13 N ATOM 1012 CZ ARG A 66 7.672 5.212 -10.370 1.00 61.11 C ATOM 1013 NH1 ARG A 66 7.422 5.906 -11.472 1.00 31.22 N ATOM 1014 NH2 ARG A 66 8.928 4.982 -10.007 1.00 15.31 N ATOM 0 H ARG A 66 2.627 0.542 -9.395 1.00 34.31 H new ATOM 0 HA ARG A 66 3.223 3.003 -10.913 1.00 12.23 H new ATOM 0 HB2 ARG A 66 4.139 2.236 -8.232 1.00 73.31 H new ATOM 0 HB3 ARG A 66 5.480 2.449 -9.341 1.00 73.31 H new ATOM 0 HG2 ARG A 66 3.311 4.544 -9.161 1.00 71.04 H new ATOM 0 HG3 ARG A 66 4.596 4.495 -7.969 1.00 71.04 H new ATOM 0 HD2 ARG A 66 5.071 4.609 -10.974 1.00 41.12 H new ATOM 0 HD3 ARG A 66 5.038 6.021 -9.937 1.00 41.12 H new ATOM 0 HE ARG A 66 6.897 4.218 -8.789 1.00 43.13 H new ATOM 0 HH11 ARG A 66 6.458 6.085 -11.754 1.00 31.22 H new ATOM 0 HH12 ARG A 66 8.193 6.261 -12.037 1.00 31.22 H new ATOM 0 HH21 ARG A 66 9.125 4.449 -9.160 1.00 15.31 H new ATOM 0 HH22 ARG A 66 9.696 5.339 -10.575 1.00 15.31 H new ATOM 1028 N ARG A 67 5.124 1.844 -12.148 1.00 64.42 N ATOM 1029 CA ARG A 67 5.964 1.078 -13.062 1.00 12.21 C ATOM 1030 C ARG A 67 7.358 0.872 -12.476 1.00 52.54 C ATOM 1031 O ARG A 67 7.968 1.808 -11.958 1.00 61.10 O ATOM 1032 CB ARG A 67 6.066 1.790 -14.412 1.00 41.20 C ATOM 1033 CG ARG A 67 6.386 0.858 -15.569 1.00 41.34 C ATOM 1034 CD ARG A 67 6.242 1.564 -16.909 1.00 34.42 C ATOM 1035 NE ARG A 67 7.448 2.303 -17.271 1.00 13.21 N ATOM 1036 CZ ARG A 67 8.546 1.729 -17.750 1.00 54.34 C ATOM 1037 NH1 ARG A 67 8.589 0.416 -17.925 1.00 33.31 N ATOM 1038 NH2 ARG A 67 9.603 2.470 -18.057 1.00 21.21 N ATOM 0 H ARG A 67 5.131 2.851 -12.312 1.00 64.42 H new ATOM 0 HA ARG A 67 5.503 0.101 -13.208 1.00 12.21 H new ATOM 0 HB2 ARG A 67 5.124 2.299 -14.617 1.00 41.20 H new ATOM 0 HB3 ARG A 67 6.837 2.558 -14.351 1.00 41.20 H new ATOM 0 HG2 ARG A 67 7.403 0.480 -15.463 1.00 41.34 H new ATOM 0 HG3 ARG A 67 5.721 -0.005 -15.538 1.00 41.34 H new ATOM 0 HD2 ARG A 67 6.021 0.830 -17.684 1.00 34.42 H new ATOM 0 HD3 ARG A 67 5.395 2.249 -16.868 1.00 34.42 H new ATOM 0 HE ARG A 67 7.447 3.316 -17.149 1.00 13.21 H new ATOM 0 HH11 ARG A 67 7.778 -0.156 -17.692 1.00 33.31 H new ATOM 0 HH12 ARG A 67 9.433 -0.022 -18.293 1.00 33.31 H new ATOM 0 HH21 ARG A 67 9.573 3.481 -17.925 1.00 21.21 H new ATOM 0 HH22 ARG A 67 10.446 2.029 -18.425 1.00 21.21 H new ATOM 1052 N ILE A 68 7.854 -0.357 -12.562 1.00 45.14 N ATOM 1053 CA ILE A 68 9.176 -0.685 -12.042 1.00 11.42 C ATOM 1054 C ILE A 68 9.885 -1.694 -12.938 1.00 30.31 C ATOM 1055 O ILE A 68 9.861 -2.897 -12.676 1.00 61.03 O ATOM 1056 CB ILE A 68 9.093 -1.253 -10.613 1.00 11.23 C ATOM 1057 CG1 ILE A 68 8.135 -0.416 -9.763 1.00 11.15 C ATOM 1058 CG2 ILE A 68 10.475 -1.294 -9.978 1.00 40.10 C ATOM 1059 CD1 ILE A 68 8.711 0.917 -9.337 1.00 62.54 C ATOM 0 H ILE A 68 7.361 -1.142 -12.987 1.00 45.14 H new ATOM 0 HA ILE A 68 9.747 0.243 -12.023 1.00 11.42 H new ATOM 0 HB ILE A 68 8.708 -2.271 -10.665 1.00 11.23 H new ATOM 0 HG12 ILE A 68 7.219 -0.243 -10.327 1.00 11.15 H new ATOM 0 HG13 ILE A 68 7.860 -0.984 -8.874 1.00 11.15 H new ATOM 0 HG21 ILE A 68 10.400 -1.698 -8.968 1.00 40.10 H new ATOM 0 HG22 ILE A 68 11.131 -1.928 -10.574 1.00 40.10 H new ATOM 0 HG23 ILE A 68 10.886 -0.285 -9.936 1.00 40.10 H new ATOM 0 HD11 ILE A 68 7.977 1.456 -8.738 1.00 62.54 H new ATOM 0 HD12 ILE A 68 9.611 0.752 -8.745 1.00 62.54 H new ATOM 0 HD13 ILE A 68 8.960 1.505 -10.221 1.00 62.54 H new