USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 309 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 1 GLY N :NH3+ -108:sc= 0.0258 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00977 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc=-0.00236 X(o=-0.0024,f=-0.0024) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 31 SER OG : rot -95:sc= 0.0515 USER MOD Single : A 34 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.16) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= -0.0871 (180deg=-0.457) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.462 2.050 7.658 1.00 62.04 N ATOM 2 CA GLY A 1 -27.514 2.313 8.725 1.00 62.31 C ATOM 3 C GLY A 1 -26.519 3.399 8.363 1.00 43.24 C ATOM 4 O GLY A 1 -26.167 3.566 7.195 1.00 33.30 O ATOM 0 H1 GLY A 1 -29.397 2.419 7.925 1.00 62.04 H new ATOM 0 H2 GLY A 1 -28.142 2.517 6.786 1.00 62.04 H new ATOM 0 H3 GLY A 1 -28.528 1.025 7.497 1.00 62.04 H new ATOM 0 HA2 GLY A 1 -28.056 2.606 9.624 1.00 62.31 H new ATOM 0 HA3 GLY A 1 -26.975 1.396 8.962 1.00 62.31 H new ATOM 8 N THR A 2 -26.063 4.141 9.367 1.00 73.31 N ATOM 9 CA THR A 2 -25.108 5.219 9.149 1.00 61.22 C ATOM 10 C THR A 2 -23.812 4.689 8.542 1.00 21.34 C ATOM 11 O THR A 2 -23.022 5.450 7.983 1.00 44.44 O ATOM 12 CB THR A 2 -24.781 5.956 10.462 1.00 45.01 C ATOM 13 OG1 THR A 2 -24.585 5.010 11.519 1.00 72.12 O ATOM 14 CG2 THR A 2 -25.899 6.918 10.834 1.00 72.04 C ATOM 0 H THR A 2 -26.340 4.014 10.340 1.00 73.31 H new ATOM 0 HA THR A 2 -25.574 5.919 8.455 1.00 61.22 H new ATOM 0 HB THR A 2 -23.865 6.528 10.314 1.00 45.01 H new ATOM 0 HG1 THR A 2 -24.376 5.486 12.350 1.00 72.12 H new ATOM 0 HG21 THR A 2 -25.646 7.427 11.764 1.00 72.04 H new ATOM 0 HG22 THR A 2 -26.025 7.654 10.040 1.00 72.04 H new ATOM 0 HG23 THR A 2 -26.828 6.363 10.965 1.00 72.04 H new ATOM 22 N TRP A 3 -23.604 3.382 8.654 1.00 64.52 N ATOM 23 CA TRP A 3 -22.403 2.752 8.116 1.00 30.30 C ATOM 24 C TRP A 3 -22.189 3.148 6.659 1.00 25.01 C ATOM 25 O TRP A 3 -21.056 3.194 6.179 1.00 72.04 O ATOM 26 CB TRP A 3 -22.507 1.230 8.233 1.00 44.02 C ATOM 27 CG TRP A 3 -22.819 0.763 9.622 1.00 1.32 C ATOM 28 CD1 TRP A 3 -24.049 0.440 10.121 1.00 44.43 C ATOM 29 CD2 TRP A 3 -21.886 0.565 10.691 1.00 23.43 C ATOM 30 NE1 TRP A 3 -23.936 0.053 11.435 1.00 45.13 N ATOM 31 CE2 TRP A 3 -22.620 0.122 11.807 1.00 62.44 C ATOM 32 CE3 TRP A 3 -20.503 0.720 10.810 1.00 54.45 C ATOM 33 CZ2 TRP A 3 -22.015 -0.168 13.028 1.00 42.04 C ATOM 34 CZ3 TRP A 3 -19.903 0.431 12.023 1.00 1.13 C ATOM 35 CH2 TRP A 3 -20.658 -0.009 13.117 1.00 52.31 C ATOM 0 H TRP A 3 -24.250 2.739 9.112 1.00 64.52 H new ATOM 0 HA TRP A 3 -21.548 3.097 8.697 1.00 30.30 H new ATOM 0 HB2 TRP A 3 -23.281 0.872 7.554 1.00 44.02 H new ATOM 0 HB3 TRP A 3 -21.567 0.782 7.909 1.00 44.02 H new ATOM 0 HD1 TRP A 3 -24.974 0.482 9.565 1.00 44.43 H new ATOM 0 HE1 TRP A 3 -24.707 -0.238 12.036 1.00 45.13 H new ATOM 0 HE3 TRP A 3 -19.913 1.059 9.971 1.00 54.45 H new ATOM 0 HZ2 TRP A 3 -22.595 -0.506 13.874 1.00 42.04 H new ATOM 0 HZ3 TRP A 3 -18.834 0.547 12.128 1.00 1.13 H new ATOM 0 HH2 TRP A 3 -20.160 -0.227 14.050 1.00 52.31 H new ATOM 46 N ASP A 4 -23.281 3.431 5.960 1.00 34.42 N ATOM 47 CA ASP A 4 -23.212 3.826 4.557 1.00 71.00 C ATOM 48 C ASP A 4 -22.424 5.122 4.395 1.00 74.22 C ATOM 49 O ASP A 4 -21.521 5.212 3.564 1.00 12.23 O ATOM 50 CB ASP A 4 -24.618 3.995 3.982 1.00 43.34 C ATOM 51 CG ASP A 4 -24.889 3.049 2.827 1.00 53.11 C ATOM 52 OD1 ASP A 4 -25.722 2.134 2.992 1.00 42.12 O ATOM 53 OD2 ASP A 4 -24.268 3.226 1.758 1.00 61.14 O ATOM 0 H ASP A 4 -24.226 3.395 6.341 1.00 34.42 H new ATOM 0 HA ASP A 4 -22.697 3.037 4.009 1.00 71.00 H new ATOM 0 HB2 ASP A 4 -25.352 3.823 4.769 1.00 43.34 H new ATOM 0 HB3 ASP A 4 -24.748 5.023 3.644 1.00 43.34 H new ATOM 59 N ASP A 5 -22.772 6.125 5.195 1.00 74.13 N ATOM 60 CA ASP A 5 -22.098 7.416 5.141 1.00 63.42 C ATOM 61 C ASP A 5 -20.757 7.360 5.867 1.00 4.33 C ATOM 62 O ASP A 5 -19.747 7.853 5.363 1.00 62.12 O ATOM 63 CB ASP A 5 -22.980 8.503 5.758 1.00 74.31 C ATOM 64 CG ASP A 5 -23.712 9.319 4.710 1.00 40.12 C ATOM 65 OD1 ASP A 5 -24.899 9.642 4.931 1.00 2.14 O ATOM 66 OD2 ASP A 5 -23.097 9.637 3.671 1.00 64.23 O ATOM 0 H ASP A 5 -23.518 6.068 5.889 1.00 74.13 H new ATOM 0 HA ASP A 5 -21.915 7.658 4.094 1.00 63.42 H new ATOM 0 HB2 ASP A 5 -23.706 8.041 6.427 1.00 74.31 H new ATOM 0 HB3 ASP A 5 -22.363 9.166 6.365 1.00 74.31 H new ATOM 72 N ILE A 6 -20.757 6.758 7.051 1.00 43.10 N ATOM 73 CA ILE A 6 -19.539 6.637 7.844 1.00 40.23 C ATOM 74 C ILE A 6 -18.476 5.835 7.103 1.00 1.25 C ATOM 75 O ILE A 6 -17.278 6.036 7.304 1.00 73.42 O ATOM 76 CB ILE A 6 -19.817 5.967 9.203 1.00 60.50 C ATOM 77 CG1 ILE A 6 -20.924 6.715 9.948 1.00 15.13 C ATOM 78 CG2 ILE A 6 -18.547 5.918 10.038 1.00 55.43 C ATOM 79 CD1 ILE A 6 -21.431 5.981 11.171 1.00 21.43 C ATOM 0 H ILE A 6 -21.585 6.347 7.482 1.00 43.10 H new ATOM 0 HA ILE A 6 -19.172 7.649 8.014 1.00 40.23 H new ATOM 0 HB ILE A 6 -20.152 4.945 9.027 1.00 60.50 H new ATOM 0 HG12 ILE A 6 -20.551 7.694 10.250 1.00 15.13 H new ATOM 0 HG13 ILE A 6 -21.757 6.888 9.267 1.00 15.13 H new ATOM 0 HG21 ILE A 6 -18.759 5.442 10.995 1.00 55.43 H new ATOM 0 HG22 ILE A 6 -17.785 5.345 9.509 1.00 55.43 H new ATOM 0 HG23 ILE A 6 -18.185 6.932 10.209 1.00 55.43 H new ATOM 0 HD11 ILE A 6 -22.214 6.569 11.650 1.00 21.43 H new ATOM 0 HD12 ILE A 6 -21.835 5.013 10.873 1.00 21.43 H new ATOM 0 HD13 ILE A 6 -20.610 5.831 11.872 1.00 21.43 H new ATOM 91 N GLY A 7 -18.921 4.927 6.240 1.00 64.54 N ATOM 92 CA GLY A 7 -17.994 4.109 5.480 1.00 33.52 C ATOM 93 C GLY A 7 -17.410 4.847 4.293 1.00 25.11 C ATOM 94 O GLY A 7 -16.316 4.523 3.829 1.00 31.00 O ATOM 0 H GLY A 7 -19.907 4.743 6.054 1.00 64.54 H new ATOM 0 HA2 GLY A 7 -17.186 3.779 6.133 1.00 33.52 H new ATOM 0 HA3 GLY A 7 -18.507 3.213 5.130 1.00 33.52 H new ATOM 98 N GLN A 8 -18.139 5.842 3.798 1.00 1.53 N ATOM 99 CA GLN A 8 -17.686 6.628 2.655 1.00 51.23 C ATOM 100 C GLN A 8 -16.385 7.355 2.976 1.00 10.01 C ATOM 101 O GLN A 8 -15.578 7.626 2.088 1.00 71.05 O ATOM 102 CB GLN A 8 -18.760 7.637 2.245 1.00 34.03 C ATOM 103 CG GLN A 8 -19.917 7.016 1.479 1.00 45.41 C ATOM 104 CD GLN A 8 -20.260 7.782 0.216 1.00 51.41 C ATOM 105 OE1 GLN A 8 -19.751 7.480 -0.864 1.00 45.11 O ATOM 106 NE2 GLN A 8 -21.126 8.780 0.346 1.00 62.04 N ATOM 0 H GLN A 8 -19.046 6.123 4.170 1.00 1.53 H new ATOM 0 HA GLN A 8 -17.504 5.945 1.826 1.00 51.23 H new ATOM 0 HB2 GLN A 8 -19.148 8.126 3.139 1.00 34.03 H new ATOM 0 HB3 GLN A 8 -18.303 8.412 1.630 1.00 34.03 H new ATOM 0 HG2 GLN A 8 -19.665 5.988 1.219 1.00 45.41 H new ATOM 0 HG3 GLN A 8 -20.795 6.975 2.124 1.00 45.41 H new ATOM 0 HE21 GLN A 8 -21.523 8.995 1.261 1.00 62.04 H new ATOM 0 HE22 GLN A 8 -21.394 9.332 -0.469 1.00 62.04 H new ATOM 115 N GLY A 9 -16.188 7.667 4.254 1.00 61.42 N ATOM 116 CA GLY A 9 -14.981 8.361 4.670 1.00 1.32 C ATOM 117 C GLY A 9 -13.790 7.433 4.783 1.00 44.44 C ATOM 118 O GLY A 9 -12.837 7.536 4.008 1.00 31.41 O ATOM 0 H GLY A 9 -16.841 7.452 5.008 1.00 61.42 H new ATOM 0 HA2 GLY A 9 -14.755 9.152 3.954 1.00 1.32 H new ATOM 0 HA3 GLY A 9 -15.155 8.842 5.632 1.00 1.32 H new ATOM 122 N ILE A 10 -13.837 6.523 5.752 1.00 61.32 N ATOM 123 CA ILE A 10 -12.752 5.576 5.963 1.00 54.23 C ATOM 124 C ILE A 10 -12.405 4.839 4.673 1.00 32.42 C ATOM 125 O ILE A 10 -11.263 4.432 4.467 1.00 14.33 O ATOM 126 CB ILE A 10 -13.111 4.543 7.049 1.00 11.11 C ATOM 127 CG1 ILE A 10 -13.464 5.250 8.360 1.00 0.14 C ATOM 128 CG2 ILE A 10 -11.957 3.574 7.259 1.00 34.43 C ATOM 129 CD1 ILE A 10 -13.894 4.306 9.460 1.00 53.32 C ATOM 0 H ILE A 10 -14.616 6.423 6.403 1.00 61.32 H new ATOM 0 HA ILE A 10 -11.888 6.154 6.292 1.00 54.23 H new ATOM 0 HB ILE A 10 -13.981 3.977 6.717 1.00 11.11 H new ATOM 0 HG12 ILE A 10 -12.600 5.821 8.700 1.00 0.14 H new ATOM 0 HG13 ILE A 10 -14.265 5.966 8.173 1.00 0.14 H new ATOM 0 HG21 ILE A 10 -12.225 2.850 8.029 1.00 34.43 H new ATOM 0 HG22 ILE A 10 -11.747 3.051 6.326 1.00 34.43 H new ATOM 0 HG23 ILE A 10 -11.071 4.126 7.573 1.00 34.43 H new ATOM 0 HD11 ILE A 10 -14.128 4.877 10.358 1.00 53.32 H new ATOM 0 HD12 ILE A 10 -14.778 3.753 9.140 1.00 53.32 H new ATOM 0 HD13 ILE A 10 -13.087 3.606 9.675 1.00 53.32 H new ATOM 141 N GLY A 11 -13.399 4.675 3.806 1.00 31.32 N ATOM 142 CA GLY A 11 -13.180 3.990 2.545 1.00 52.24 C ATOM 143 C GLY A 11 -12.210 4.729 1.646 1.00 73.11 C ATOM 144 O GLY A 11 -11.243 4.148 1.153 1.00 52.34 O ATOM 0 H GLY A 11 -14.353 5.004 3.954 1.00 31.32 H new ATOM 0 HA2 GLY A 11 -12.798 2.988 2.741 1.00 52.24 H new ATOM 0 HA3 GLY A 11 -14.133 3.873 2.028 1.00 52.24 H new ATOM 148 N ARG A 12 -12.467 6.016 1.430 1.00 31.13 N ATOM 149 CA ARG A 12 -11.610 6.834 0.580 1.00 74.14 C ATOM 150 C ARG A 12 -10.336 7.235 1.320 1.00 34.20 C ATOM 151 O ARG A 12 -9.275 7.380 0.714 1.00 21.35 O ATOM 152 CB ARG A 12 -12.360 8.086 0.119 1.00 21.12 C ATOM 153 CG ARG A 12 -13.537 7.787 -0.795 1.00 71.21 C ATOM 154 CD ARG A 12 -13.141 7.875 -2.260 1.00 2.14 C ATOM 155 NE ARG A 12 -13.831 6.879 -3.075 1.00 21.44 N ATOM 156 CZ ARG A 12 -13.451 6.540 -4.302 1.00 50.22 C ATOM 157 NH1 ARG A 12 -12.390 7.116 -4.853 1.00 21.13 N ATOM 158 NH2 ARG A 12 -14.130 5.625 -4.981 1.00 15.32 N ATOM 0 H ARG A 12 -13.261 6.514 1.832 1.00 31.13 H new ATOM 0 HA ARG A 12 -11.333 6.242 -0.293 1.00 74.14 H new ATOM 0 HB2 ARG A 12 -12.719 8.628 0.994 1.00 21.12 H new ATOM 0 HB3 ARG A 12 -11.665 8.745 -0.401 1.00 21.12 H new ATOM 0 HG2 ARG A 12 -13.922 6.790 -0.580 1.00 71.21 H new ATOM 0 HG3 ARG A 12 -14.344 8.491 -0.592 1.00 71.21 H new ATOM 0 HD2 ARG A 12 -13.368 8.872 -2.637 1.00 2.14 H new ATOM 0 HD3 ARG A 12 -12.064 7.736 -2.353 1.00 2.14 H new ATOM 0 HE ARG A 12 -14.651 6.418 -2.680 1.00 21.44 H new ATOM 0 HH11 ARG A 12 -11.865 7.820 -4.334 1.00 21.13 H new ATOM 0 HH12 ARG A 12 -12.100 6.855 -5.795 1.00 21.13 H new ATOM 0 HH21 ARG A 12 -14.946 5.180 -4.561 1.00 15.32 H new ATOM 0 HH22 ARG A 12 -13.836 5.367 -5.923 1.00 15.32 H new ATOM 172 N VAL A 13 -10.451 7.415 2.632 1.00 14.42 N ATOM 173 CA VAL A 13 -9.308 7.798 3.454 1.00 34.44 C ATOM 174 C VAL A 13 -8.305 6.655 3.565 1.00 24.33 C ATOM 175 O VAL A 13 -7.094 6.876 3.522 1.00 40.01 O ATOM 176 CB VAL A 13 -9.752 8.218 4.868 1.00 64.21 C ATOM 177 CG1 VAL A 13 -8.544 8.585 5.717 1.00 15.10 C ATOM 178 CG2 VAL A 13 -10.735 9.377 4.795 1.00 51.15 C ATOM 0 H VAL A 13 -11.323 7.302 3.149 1.00 14.42 H new ATOM 0 HA VAL A 13 -8.833 8.647 2.963 1.00 34.44 H new ATOM 0 HB VAL A 13 -10.256 7.374 5.339 1.00 64.21 H new ATOM 0 HG11 VAL A 13 -8.875 8.879 6.713 1.00 15.10 H new ATOM 0 HG12 VAL A 13 -7.879 7.725 5.795 1.00 15.10 H new ATOM 0 HG13 VAL A 13 -8.011 9.414 5.252 1.00 15.10 H new ATOM 0 HG21 VAL A 13 -11.038 9.661 5.803 1.00 51.15 H new ATOM 0 HG22 VAL A 13 -10.259 10.227 4.306 1.00 51.15 H new ATOM 0 HG23 VAL A 13 -11.613 9.074 4.224 1.00 51.15 H new ATOM 188 N ALA A 14 -8.814 5.438 3.708 1.00 2.45 N ATOM 189 CA ALA A 14 -7.962 4.260 3.823 1.00 24.22 C ATOM 190 C ALA A 14 -6.975 4.184 2.663 1.00 51.52 C ATOM 191 O ALA A 14 -5.855 3.694 2.821 1.00 14.02 O ATOM 192 CB ALA A 14 -8.810 2.999 3.881 1.00 14.21 C ATOM 0 H ALA A 14 -9.814 5.240 3.747 1.00 2.45 H new ATOM 0 HA ALA A 14 -7.391 4.342 4.748 1.00 24.22 H new ATOM 0 HB1 ALA A 14 -8.161 2.128 3.967 1.00 14.21 H new ATOM 0 HB2 ALA A 14 -9.472 3.045 4.746 1.00 14.21 H new ATOM 0 HB3 ALA A 14 -9.406 2.919 2.972 1.00 14.21 H new ATOM 198 N TYR A 15 -7.394 4.668 1.501 1.00 75.35 N ATOM 199 CA TYR A 15 -6.547 4.651 0.315 1.00 22.41 C ATOM 200 C TYR A 15 -5.440 5.695 0.420 1.00 41.24 C ATOM 201 O TYR A 15 -4.356 5.526 -0.139 1.00 15.44 O ATOM 202 CB TYR A 15 -7.385 4.905 -0.940 1.00 62.21 C ATOM 203 CG TYR A 15 -6.576 4.911 -2.217 1.00 3.43 C ATOM 204 CD1 TYR A 15 -6.323 3.732 -2.906 1.00 3.41 C ATOM 205 CD2 TYR A 15 -6.067 6.094 -2.736 1.00 64.53 C ATOM 206 CE1 TYR A 15 -5.582 3.730 -4.073 1.00 12.10 C ATOM 207 CE2 TYR A 15 -5.328 6.102 -3.904 1.00 21.50 C ATOM 208 CZ TYR A 15 -5.088 4.918 -4.568 1.00 12.02 C ATOM 209 OH TYR A 15 -4.353 4.922 -5.731 1.00 24.31 O ATOM 0 H TYR A 15 -8.316 5.078 1.354 1.00 75.35 H new ATOM 0 HA TYR A 15 -6.086 3.666 0.244 1.00 22.41 H new ATOM 0 HB2 TYR A 15 -8.157 4.139 -1.012 1.00 62.21 H new ATOM 0 HB3 TYR A 15 -7.895 5.863 -0.838 1.00 62.21 H new ATOM 0 HD1 TYR A 15 -6.712 2.800 -2.523 1.00 3.41 H new ATOM 0 HD2 TYR A 15 -6.252 7.024 -2.218 1.00 64.53 H new ATOM 0 HE1 TYR A 15 -5.391 2.803 -4.594 1.00 12.10 H new ATOM 0 HE2 TYR A 15 -4.940 7.031 -4.295 1.00 21.50 H new ATOM 0 HH TYR A 15 -4.081 5.839 -5.943 1.00 24.31 H new ATOM 219 N TRP A 16 -5.719 6.775 1.144 1.00 0.14 N ATOM 220 CA TRP A 16 -4.747 7.846 1.325 1.00 34.14 C ATOM 221 C TRP A 16 -3.708 7.467 2.373 1.00 30.43 C ATOM 222 O TRP A 16 -2.510 7.679 2.180 1.00 14.04 O ATOM 223 CB TRP A 16 -5.454 9.139 1.734 1.00 12.02 C ATOM 224 CG TRP A 16 -5.906 9.964 0.567 1.00 51.41 C ATOM 225 CD1 TRP A 16 -7.107 9.882 -0.079 1.00 71.31 C ATOM 226 CD2 TRP A 16 -5.162 10.993 -0.094 1.00 32.30 C ATOM 227 NE1 TRP A 16 -7.154 10.799 -1.102 1.00 65.24 N ATOM 228 CE2 TRP A 16 -5.975 11.494 -1.131 1.00 2.52 C ATOM 229 CE3 TRP A 16 -3.892 11.543 0.091 1.00 44.40 C ATOM 230 CZ2 TRP A 16 -5.554 12.515 -1.978 1.00 63.23 C ATOM 231 CZ3 TRP A 16 -3.475 12.556 -0.752 1.00 11.12 C ATOM 232 CH2 TRP A 16 -4.304 13.035 -1.776 1.00 70.05 C ATOM 0 H TRP A 16 -6.611 6.931 1.614 1.00 0.14 H new ATOM 0 HA TRP A 16 -4.236 8.004 0.375 1.00 34.14 H new ATOM 0 HB2 TRP A 16 -6.318 8.893 2.352 1.00 12.02 H new ATOM 0 HB3 TRP A 16 -4.780 9.734 2.351 1.00 12.02 H new ATOM 0 HD1 TRP A 16 -7.902 9.198 0.176 1.00 71.31 H new ATOM 0 HE1 TRP A 16 -7.940 10.939 -1.737 1.00 65.24 H new ATOM 0 HE3 TRP A 16 -3.247 11.183 0.879 1.00 44.40 H new ATOM 0 HZ2 TRP A 16 -6.192 12.884 -2.768 1.00 63.23 H new ATOM 0 HZ3 TRP A 16 -2.493 12.986 -0.619 1.00 11.12 H new ATOM 0 HH2 TRP A 16 -3.950 13.829 -2.417 1.00 70.05 H new ATOM 243 N VAL A 17 -4.172 6.903 3.484 1.00 4.51 N ATOM 244 CA VAL A 17 -3.281 6.493 4.563 1.00 53.24 C ATOM 245 C VAL A 17 -2.396 5.328 4.132 1.00 61.23 C ATOM 246 O VAL A 17 -1.239 5.233 4.539 1.00 2.33 O ATOM 247 CB VAL A 17 -4.073 6.085 5.819 1.00 12.24 C ATOM 248 CG1 VAL A 17 -4.995 4.913 5.512 1.00 3.12 C ATOM 249 CG2 VAL A 17 -3.125 5.741 6.959 1.00 5.41 C ATOM 0 H VAL A 17 -5.160 6.720 3.660 1.00 4.51 H new ATOM 0 HA VAL A 17 -2.654 7.353 4.801 1.00 53.24 H new ATOM 0 HB VAL A 17 -4.688 6.930 6.129 1.00 12.24 H new ATOM 0 HG11 VAL A 17 -5.546 4.639 6.411 1.00 3.12 H new ATOM 0 HG12 VAL A 17 -5.697 5.198 4.729 1.00 3.12 H new ATOM 0 HG13 VAL A 17 -4.402 4.062 5.176 1.00 3.12 H new ATOM 0 HG21 VAL A 17 -3.702 5.455 7.838 1.00 5.41 H new ATOM 0 HG22 VAL A 17 -2.483 4.912 6.661 1.00 5.41 H new ATOM 0 HG23 VAL A 17 -2.510 6.609 7.195 1.00 5.41 H new ATOM 259 N GLY A 18 -2.948 4.445 3.305 1.00 34.45 N ATOM 260 CA GLY A 18 -2.195 3.299 2.832 1.00 72.24 C ATOM 261 C GLY A 18 -1.006 3.699 1.980 1.00 73.41 C ATOM 262 O GLY A 18 0.091 3.164 2.142 1.00 21.43 O ATOM 0 H GLY A 18 -3.904 4.503 2.954 1.00 34.45 H new ATOM 0 HA2 GLY A 18 -1.847 2.719 3.687 1.00 72.24 H new ATOM 0 HA3 GLY A 18 -2.852 2.650 2.252 1.00 72.24 H new ATOM 266 N LYS A 19 -1.226 4.639 1.067 1.00 65.41 N ATOM 267 CA LYS A 19 -0.164 5.109 0.185 1.00 23.25 C ATOM 268 C LYS A 19 0.831 5.979 0.946 1.00 25.42 C ATOM 269 O LYS A 19 2.020 5.997 0.632 1.00 52.12 O ATOM 270 CB LYS A 19 -0.759 5.901 -0.984 1.00 31.11 C ATOM 271 CG LYS A 19 -1.603 7.086 -0.550 1.00 72.44 C ATOM 272 CD LYS A 19 -2.193 7.817 -1.744 1.00 22.10 C ATOM 273 CE LYS A 19 -1.108 8.451 -2.601 1.00 55.30 C ATOM 274 NZ LYS A 19 -1.676 9.360 -3.634 1.00 35.44 N ATOM 0 H LYS A 19 -2.129 5.090 0.919 1.00 65.41 H new ATOM 0 HA LYS A 19 0.364 4.238 -0.203 1.00 23.25 H new ATOM 0 HB2 LYS A 19 0.051 6.257 -1.620 1.00 31.11 H new ATOM 0 HB3 LYS A 19 -1.371 5.233 -1.590 1.00 31.11 H new ATOM 0 HG2 LYS A 19 -2.407 6.742 0.101 1.00 72.44 H new ATOM 0 HG3 LYS A 19 -0.992 7.775 0.034 1.00 72.44 H new ATOM 0 HD2 LYS A 19 -2.774 7.120 -2.348 1.00 22.10 H new ATOM 0 HD3 LYS A 19 -2.881 8.588 -1.397 1.00 22.10 H new ATOM 0 HE2 LYS A 19 -0.422 9.009 -1.964 1.00 55.30 H new ATOM 0 HE3 LYS A 19 -0.526 7.668 -3.087 1.00 55.30 H new ATOM 0 HZ1 LYS A 19 -0.904 9.772 -4.197 1.00 35.44 H new ATOM 0 HZ2 LYS A 19 -2.311 8.822 -4.258 1.00 35.44 H new ATOM 0 HZ3 LYS A 19 -2.210 10.122 -3.170 1.00 35.44 H new ATOM 288 N ALA A 20 0.337 6.698 1.949 1.00 15.22 N ATOM 289 CA ALA A 20 1.184 7.567 2.757 1.00 3.01 C ATOM 290 C ALA A 20 2.165 6.752 3.592 1.00 41.14 C ATOM 291 O ALA A 20 3.289 7.188 3.848 1.00 61.02 O ATOM 292 CB ALA A 20 0.331 8.450 3.654 1.00 34.23 C ATOM 0 H ALA A 20 -0.646 6.696 2.221 1.00 15.22 H new ATOM 0 HA ALA A 20 1.759 8.202 2.083 1.00 3.01 H new ATOM 0 HB1 ALA A 20 0.977 9.093 4.251 1.00 34.23 H new ATOM 0 HB2 ALA A 20 -0.326 9.065 3.040 1.00 34.23 H new ATOM 0 HB3 ALA A 20 -0.270 7.825 4.315 1.00 34.23 H new ATOM 298 N LEU A 21 1.735 5.569 4.016 1.00 52.51 N ATOM 299 CA LEU A 21 2.576 4.693 4.825 1.00 40.33 C ATOM 300 C LEU A 21 3.355 3.721 3.945 1.00 24.04 C ATOM 301 O LEU A 21 4.481 3.344 4.264 1.00 65.12 O ATOM 302 CB LEU A 21 1.721 3.917 5.829 1.00 4.11 C ATOM 303 CG LEU A 21 1.449 4.615 7.160 1.00 74.15 C ATOM 304 CD1 LEU A 21 2.716 4.679 7.999 1.00 30.42 C ATOM 305 CD2 LEU A 21 0.893 6.014 6.925 1.00 55.22 C ATOM 0 H LEU A 21 0.808 5.194 3.813 1.00 52.51 H new ATOM 0 HA LEU A 21 3.289 5.314 5.368 1.00 40.33 H new ATOM 0 HB2 LEU A 21 0.764 3.688 5.360 1.00 4.11 H new ATOM 0 HB3 LEU A 21 2.212 2.966 6.034 1.00 4.11 H new ATOM 0 HG LEU A 21 0.705 4.035 7.706 1.00 74.15 H new ATOM 0 HD11 LEU A 21 2.502 5.180 8.943 1.00 30.42 H new ATOM 0 HD12 LEU A 21 3.073 3.668 8.197 1.00 30.42 H new ATOM 0 HD13 LEU A 21 3.482 5.235 7.459 1.00 30.42 H new ATOM 0 HD21 LEU A 21 0.705 6.497 7.884 1.00 55.22 H new ATOM 0 HD22 LEU A 21 1.615 6.602 6.358 1.00 55.22 H new ATOM 0 HD23 LEU A 21 -0.039 5.946 6.364 1.00 55.22 H new ATOM 317 N GLY A 22 2.748 3.322 2.832 1.00 24.23 N ATOM 318 CA GLY A 22 3.401 2.399 1.919 1.00 74.04 C ATOM 319 C GLY A 22 3.444 0.985 2.461 1.00 30.11 C ATOM 320 O GLY A 22 4.185 0.693 3.398 1.00 64.05 O ATOM 0 H GLY A 22 1.816 3.621 2.545 1.00 24.23 H new ATOM 0 HA2 GLY A 22 2.875 2.404 0.964 1.00 74.04 H new ATOM 0 HA3 GLY A 22 4.417 2.742 1.725 1.00 74.04 H new ATOM 324 N ASN A 23 2.647 0.102 1.869 1.00 0.23 N ATOM 325 CA ASN A 23 2.595 -1.290 2.298 1.00 50.24 C ATOM 326 C ASN A 23 3.557 -2.148 1.479 1.00 35.44 C ATOM 327 O ASN A 23 3.198 -3.234 1.020 1.00 0.23 O ATOM 328 CB ASN A 23 1.170 -1.834 2.168 1.00 45.53 C ATOM 329 CG ASN A 23 0.198 -1.135 3.096 1.00 61.51 C ATOM 330 OD1 ASN A 23 -0.289 -0.044 2.796 1.00 50.20 O ATOM 331 ND2 ASN A 23 -0.090 -1.759 4.232 1.00 0.34 N ATOM 0 H ASN A 23 2.028 0.326 1.090 1.00 0.23 H new ATOM 0 HA ASN A 23 2.898 -1.333 3.344 1.00 50.24 H new ATOM 0 HB2 ASN A 23 0.832 -1.718 1.138 1.00 45.53 H new ATOM 0 HB3 ASN A 23 1.171 -2.902 2.385 1.00 45.53 H new ATOM 0 HD21 ASN A 23 -0.738 -1.336 4.896 1.00 0.34 H new ATOM 0 HD22 ASN A 23 0.336 -2.662 4.440 1.00 0.34 H new ATOM 338 N LEU A 24 4.776 -1.653 1.301 1.00 54.42 N ATOM 339 CA LEU A 24 5.790 -2.375 0.538 1.00 31.43 C ATOM 340 C LEU A 24 7.140 -1.670 0.626 1.00 21.24 C ATOM 341 O LEU A 24 7.913 -1.668 -0.332 1.00 51.10 O ATOM 342 CB LEU A 24 5.360 -2.502 -0.925 1.00 2.31 C ATOM 343 CG LEU A 24 4.897 -1.211 -1.602 1.00 43.33 C ATOM 344 CD1 LEU A 24 5.244 -1.234 -3.083 1.00 35.52 C ATOM 345 CD2 LEU A 24 3.402 -1.013 -1.404 1.00 3.02 C ATOM 0 H LEU A 24 5.087 -0.756 1.674 1.00 54.42 H new ATOM 0 HA LEU A 24 5.893 -3.372 0.967 1.00 31.43 H new ATOM 0 HB2 LEU A 24 6.196 -2.908 -1.495 1.00 2.31 H new ATOM 0 HB3 LEU A 24 4.551 -3.230 -0.983 1.00 2.31 H new ATOM 0 HG LEU A 24 5.417 -0.372 -1.141 1.00 43.33 H new ATOM 0 HD11 LEU A 24 4.908 -0.308 -3.550 1.00 35.52 H new ATOM 0 HD12 LEU A 24 6.323 -1.329 -3.202 1.00 35.52 H new ATOM 0 HD13 LEU A 24 4.750 -2.081 -3.559 1.00 35.52 H new ATOM 0 HD21 LEU A 24 3.089 -0.090 -1.892 1.00 3.02 H new ATOM 0 HD22 LEU A 24 2.863 -1.854 -1.839 1.00 3.02 H new ATOM 0 HD23 LEU A 24 3.181 -0.953 -0.338 1.00 3.02 H new ATOM 357 N SER A 25 7.417 -1.076 1.781 1.00 20.30 N ATOM 358 CA SER A 25 8.673 -0.366 1.991 1.00 73.25 C ATOM 359 C SER A 25 9.815 -1.345 2.248 1.00 12.20 C ATOM 360 O SER A 25 10.982 -0.957 2.292 1.00 51.42 O ATOM 361 CB SER A 25 8.545 0.604 3.168 1.00 73.25 C ATOM 362 OG SER A 25 8.636 1.950 2.734 1.00 35.40 O ATOM 0 H SER A 25 6.790 -1.072 2.585 1.00 20.30 H new ATOM 0 HA SER A 25 8.897 0.198 1.086 1.00 73.25 H new ATOM 0 HB2 SER A 25 7.592 0.445 3.672 1.00 73.25 H new ATOM 0 HB3 SER A 25 9.329 0.400 3.898 1.00 73.25 H new ATOM 0 HG SER A 25 8.549 2.549 3.505 1.00 35.40 H new ATOM 368 N ASP A 26 9.466 -2.616 2.416 1.00 44.22 N ATOM 369 CA ASP A 26 10.460 -3.654 2.666 1.00 42.44 C ATOM 370 C ASP A 26 11.015 -4.204 1.356 1.00 33.21 C ATOM 371 O ASP A 26 11.779 -5.168 1.349 1.00 70.45 O ATOM 372 CB ASP A 26 9.849 -4.787 3.491 1.00 50.10 C ATOM 373 CG ASP A 26 8.904 -4.279 4.563 1.00 43.44 C ATOM 374 OD1 ASP A 26 9.371 -3.565 5.476 1.00 11.41 O ATOM 375 OD2 ASP A 26 7.700 -4.596 4.489 1.00 31.22 O ATOM 0 H ASP A 26 8.504 -2.952 2.384 1.00 44.22 H new ATOM 0 HA ASP A 26 11.281 -3.208 3.227 1.00 42.44 H new ATOM 0 HB2 ASP A 26 9.311 -5.465 2.829 1.00 50.10 H new ATOM 0 HB3 ASP A 26 10.647 -5.364 3.958 1.00 50.10 H new ATOM 381 N VAL A 27 10.623 -3.583 0.247 1.00 45.24 N ATOM 382 CA VAL A 27 11.081 -4.009 -1.069 1.00 1.52 C ATOM 383 C VAL A 27 11.110 -2.840 -2.046 1.00 23.30 C ATOM 384 O VAL A 27 12.045 -2.698 -2.834 1.00 72.12 O ATOM 385 CB VAL A 27 10.182 -5.121 -1.643 1.00 64.03 C ATOM 386 CG1 VAL A 27 10.635 -5.504 -3.043 1.00 34.15 C ATOM 387 CG2 VAL A 27 10.183 -6.334 -0.724 1.00 51.44 C ATOM 0 H VAL A 27 9.990 -2.784 0.235 1.00 45.24 H new ATOM 0 HA VAL A 27 12.091 -4.397 -0.942 1.00 1.52 H new ATOM 0 HB VAL A 27 9.162 -4.742 -1.707 1.00 64.03 H new ATOM 0 HG11 VAL A 27 9.988 -6.291 -3.432 1.00 34.15 H new ATOM 0 HG12 VAL A 27 10.579 -4.632 -3.695 1.00 34.15 H new ATOM 0 HG13 VAL A 27 11.663 -5.864 -3.007 1.00 34.15 H new ATOM 0 HG21 VAL A 27 9.543 -7.110 -1.145 1.00 51.44 H new ATOM 0 HG22 VAL A 27 11.199 -6.716 -0.626 1.00 51.44 H new ATOM 0 HG23 VAL A 27 9.807 -6.047 0.258 1.00 51.44 H new ATOM 397 N ASN A 28 10.078 -2.003 -1.990 1.00 4.15 N ATOM 398 CA ASN A 28 9.985 -0.845 -2.871 1.00 3.35 C ATOM 399 C ASN A 28 11.112 0.145 -2.590 1.00 31.11 C ATOM 400 O ASN A 28 11.528 0.893 -3.472 1.00 25.01 O ATOM 401 CB ASN A 28 8.630 -0.155 -2.699 1.00 2.23 C ATOM 402 CG ASN A 28 8.475 1.048 -3.609 1.00 33.01 C ATOM 403 OD1 ASN A 28 8.577 0.936 -4.829 1.00 43.50 O ATOM 404 ND2 ASN A 28 8.225 2.208 -3.015 1.00 62.10 N ATOM 0 H ASN A 28 9.295 -2.106 -1.344 1.00 4.15 H new ATOM 0 HA ASN A 28 10.080 -1.194 -3.899 1.00 3.35 H new ATOM 0 HB2 ASN A 28 7.833 -0.869 -2.906 1.00 2.23 H new ATOM 0 HB3 ASN A 28 8.515 0.160 -1.662 1.00 2.23 H new ATOM 0 HD21 ASN A 28 8.109 3.053 -3.574 1.00 62.10 H new ATOM 0 HD22 ASN A 28 8.148 2.255 -1.999 1.00 62.10 H new ATOM 411 N GLN A 29 11.599 0.141 -1.353 1.00 63.22 N ATOM 412 CA GLN A 29 12.677 1.039 -0.955 1.00 74.44 C ATOM 413 C GLN A 29 14.016 0.562 -1.509 1.00 14.40 C ATOM 414 O GLN A 29 14.931 1.357 -1.719 1.00 35.23 O ATOM 415 CB GLN A 29 12.749 1.140 0.570 1.00 52.51 C ATOM 416 CG GLN A 29 12.911 2.562 1.079 1.00 2.22 C ATOM 417 CD GLN A 29 13.191 2.622 2.568 1.00 24.14 C ATOM 418 OE1 GLN A 29 13.898 1.771 3.112 1.00 23.13 O ATOM 419 NE2 GLN A 29 12.638 3.627 3.235 1.00 70.41 N ATOM 0 H GLN A 29 11.265 -0.473 -0.610 1.00 63.22 H new ATOM 0 HA GLN A 29 12.465 2.025 -1.367 1.00 74.44 H new ATOM 0 HB2 GLN A 29 11.842 0.711 0.997 1.00 52.51 H new ATOM 0 HB3 GLN A 29 13.585 0.538 0.926 1.00 52.51 H new ATOM 0 HG2 GLN A 29 13.726 3.046 0.540 1.00 2.22 H new ATOM 0 HG3 GLN A 29 12.005 3.127 0.861 1.00 2.22 H new ATOM 0 HE21 GLN A 29 12.060 4.308 2.743 1.00 70.41 H new ATOM 0 HE22 GLN A 29 12.791 3.718 4.239 1.00 70.41 H new ATOM 428 N ALA A 30 14.122 -0.743 -1.742 1.00 62.31 N ATOM 429 CA ALA A 30 15.348 -1.325 -2.274 1.00 33.20 C ATOM 430 C ALA A 30 15.657 -0.783 -3.664 1.00 20.11 C ATOM 431 O ALA A 30 16.816 -0.728 -4.077 1.00 41.22 O ATOM 432 CB ALA A 30 15.239 -2.842 -2.310 1.00 74.32 C ATOM 0 H ALA A 30 13.375 -1.416 -1.571 1.00 62.31 H new ATOM 0 HA ALA A 30 16.169 -1.045 -1.614 1.00 33.20 H new ATOM 0 HB1 ALA A 30 16.161 -3.264 -2.709 1.00 74.32 H new ATOM 0 HB2 ALA A 30 15.075 -3.219 -1.301 1.00 74.32 H new ATOM 0 HB3 ALA A 30 14.402 -3.132 -2.946 1.00 74.32 H new ATOM 438 N SER A 31 14.614 -0.379 -4.382 1.00 3.33 N ATOM 439 CA SER A 31 14.775 0.155 -5.729 1.00 23.15 C ATOM 440 C SER A 31 15.729 1.345 -5.730 1.00 5.24 C ATOM 441 O SER A 31 16.327 1.673 -6.756 1.00 44.44 O ATOM 442 CB SER A 31 13.419 0.576 -6.299 1.00 34.40 C ATOM 443 OG SER A 31 13.131 1.928 -5.986 1.00 31.13 O ATOM 0 H SER A 31 13.649 -0.411 -4.053 1.00 3.33 H new ATOM 0 HA SER A 31 15.198 -0.630 -6.356 1.00 23.15 H new ATOM 0 HB2 SER A 31 13.418 0.442 -7.381 1.00 34.40 H new ATOM 0 HB3 SER A 31 12.637 -0.068 -5.898 1.00 34.40 H new ATOM 0 HG SER A 31 12.588 1.967 -5.171 1.00 31.13 H new ATOM 449 N ARG A 32 15.867 1.987 -4.576 1.00 32.11 N ATOM 450 CA ARG A 32 16.748 3.141 -4.443 1.00 62.33 C ATOM 451 C ARG A 32 18.212 2.724 -4.548 1.00 53.40 C ATOM 452 O ARG A 32 19.092 3.556 -4.769 1.00 44.43 O ATOM 453 CB ARG A 32 16.503 3.846 -3.108 1.00 53.41 C ATOM 454 CG ARG A 32 16.389 5.356 -3.228 1.00 62.50 C ATOM 455 CD ARG A 32 17.680 5.974 -3.744 1.00 1.41 C ATOM 456 NE ARG A 32 18.806 5.715 -2.850 1.00 25.32 N ATOM 457 CZ ARG A 32 20.035 6.170 -3.069 1.00 34.51 C ATOM 458 NH1 ARG A 32 20.295 6.900 -4.144 1.00 45.00 N ATOM 459 NH2 ARG A 32 21.007 5.894 -2.208 1.00 30.20 N ATOM 0 H ARG A 32 15.380 1.728 -3.718 1.00 32.11 H new ATOM 0 HA ARG A 32 16.525 3.831 -5.257 1.00 62.33 H new ATOM 0 HB2 ARG A 32 15.588 3.455 -2.663 1.00 53.41 H new ATOM 0 HB3 ARG A 32 17.317 3.605 -2.425 1.00 53.41 H new ATOM 0 HG2 ARG A 32 15.570 5.608 -3.901 1.00 62.50 H new ATOM 0 HG3 ARG A 32 16.144 5.782 -2.255 1.00 62.50 H new ATOM 0 HD2 ARG A 32 17.903 5.574 -4.733 1.00 1.41 H new ATOM 0 HD3 ARG A 32 17.547 7.050 -3.857 1.00 1.41 H new ATOM 0 HE ARG A 32 18.640 5.155 -2.014 1.00 25.32 H new ATOM 0 HH11 ARG A 32 19.550 7.115 -4.807 1.00 45.00 H new ATOM 0 HH12 ARG A 32 21.240 7.247 -4.308 1.00 45.00 H new ATOM 0 HH21 ARG A 32 20.810 5.333 -1.379 1.00 30.20 H new ATOM 0 HH22 ARG A 32 21.951 6.243 -2.375 1.00 30.20 H new ATOM 473 N ILE A 33 18.465 1.428 -4.388 1.00 74.45 N ATOM 474 CA ILE A 33 19.821 0.901 -4.466 1.00 53.24 C ATOM 475 C ILE A 33 19.860 -0.401 -5.261 1.00 11.32 C ATOM 476 O ILE A 33 20.851 -1.131 -5.229 1.00 74.40 O ATOM 477 CB ILE A 33 20.410 0.648 -3.065 1.00 53.14 C ATOM 478 CG1 ILE A 33 20.010 1.776 -2.111 1.00 73.20 C ATOM 479 CG2 ILE A 33 21.923 0.522 -3.139 1.00 1.22 C ATOM 480 CD1 ILE A 33 18.731 1.505 -1.353 1.00 72.04 C ATOM 0 H ILE A 33 17.749 0.725 -4.204 1.00 74.45 H new ATOM 0 HA ILE A 33 20.422 1.655 -4.974 1.00 53.24 H new ATOM 0 HB ILE A 33 20.007 -0.289 -2.682 1.00 53.14 H new ATOM 0 HG12 ILE A 33 20.817 1.940 -1.397 1.00 73.20 H new ATOM 0 HG13 ILE A 33 19.896 2.698 -2.680 1.00 73.20 H new ATOM 0 HG21 ILE A 33 22.323 0.344 -2.141 1.00 1.22 H new ATOM 0 HG22 ILE A 33 22.187 -0.311 -3.790 1.00 1.22 H new ATOM 0 HG23 ILE A 33 22.346 1.443 -3.540 1.00 1.22 H new ATOM 0 HD11 ILE A 33 18.511 2.347 -0.697 1.00 72.04 H new ATOM 0 HD12 ILE A 33 17.911 1.371 -2.059 1.00 72.04 H new ATOM 0 HD13 ILE A 33 18.847 0.601 -0.756 1.00 72.04 H new ATOM 492 N ASN A 34 18.776 -0.682 -5.976 1.00 0.02 N ATOM 493 CA ASN A 34 18.686 -1.895 -6.782 1.00 53.55 C ATOM 494 C ASN A 34 18.662 -1.559 -8.269 1.00 42.42 C ATOM 495 O ASN A 34 19.052 -2.373 -9.107 1.00 55.30 O ATOM 496 CB ASN A 34 17.434 -2.689 -6.407 1.00 34.11 C ATOM 497 CG ASN A 34 17.736 -3.826 -5.450 1.00 12.15 C ATOM 498 OD1 ASN A 34 17.667 -4.999 -5.820 1.00 21.23 O ATOM 499 ND2 ASN A 34 18.071 -3.485 -4.211 1.00 73.41 N ATOM 0 H ASN A 34 17.948 -0.087 -6.014 1.00 0.02 H new ATOM 0 HA ASN A 34 19.568 -2.503 -6.579 1.00 53.55 H new ATOM 0 HB2 ASN A 34 16.705 -2.019 -5.952 1.00 34.11 H new ATOM 0 HB3 ASN A 34 16.977 -3.091 -7.312 1.00 34.11 H new ATOM 0 HD21 ASN A 34 18.283 -4.207 -3.523 1.00 73.41 H new ATOM 0 HD22 ASN A 34 18.116 -2.501 -3.947 1.00 73.41 H new ATOM 506 N ARG A 35 18.203 -0.355 -8.590 1.00 5.30 N ATOM 507 CA ARG A 35 18.128 0.089 -9.977 1.00 25.02 C ATOM 508 C ARG A 35 19.503 0.055 -10.635 1.00 2.22 C ATOM 509 O ARG A 35 19.620 -0.105 -11.849 1.00 4.00 O ATOM 510 CB ARG A 35 17.552 1.505 -10.051 1.00 53.10 C ATOM 511 CG ARG A 35 16.897 1.827 -11.385 1.00 31.14 C ATOM 512 CD ARG A 35 16.276 3.216 -11.381 1.00 54.45 C ATOM 513 NE ARG A 35 16.193 3.783 -12.723 1.00 41.14 N ATOM 514 CZ ARG A 35 17.247 4.227 -13.400 1.00 75.04 C ATOM 515 NH1 ARG A 35 18.458 4.168 -12.860 1.00 2.43 N ATOM 516 NH2 ARG A 35 17.091 4.729 -14.617 1.00 40.30 N ATOM 0 H ARG A 35 17.877 0.331 -7.909 1.00 5.30 H new ATOM 0 HA ARG A 35 17.470 -0.594 -10.515 1.00 25.02 H new ATOM 0 HB2 ARG A 35 16.818 1.632 -9.255 1.00 53.10 H new ATOM 0 HB3 ARG A 35 18.351 2.223 -9.865 1.00 53.10 H new ATOM 0 HG2 ARG A 35 17.639 1.761 -12.181 1.00 31.14 H new ATOM 0 HG3 ARG A 35 16.129 1.085 -11.603 1.00 31.14 H new ATOM 0 HD2 ARG A 35 15.277 3.165 -10.947 1.00 54.45 H new ATOM 0 HD3 ARG A 35 16.867 3.875 -10.745 1.00 54.45 H new ATOM 0 HE ARG A 35 15.276 3.842 -13.166 1.00 41.14 H new ATOM 0 HH11 ARG A 35 18.581 3.781 -11.924 1.00 2.43 H new ATOM 0 HH12 ARG A 35 19.266 4.509 -13.381 1.00 2.43 H new ATOM 0 HH21 ARG A 35 16.161 4.775 -15.035 1.00 40.30 H new ATOM 0 HH22 ARG A 35 17.900 5.070 -15.136 1.00 40.30 H new ATOM 530 N LYS A 36 20.545 0.207 -9.825 1.00 72.43 N ATOM 531 CA LYS A 36 21.915 0.193 -10.324 1.00 2.34 C ATOM 532 C LYS A 36 22.431 -1.237 -10.455 1.00 1.34 C ATOM 533 O LYS A 36 23.238 -1.538 -11.335 1.00 41.20 O ATOM 534 CB LYS A 36 22.829 0.993 -9.394 1.00 0.04 C ATOM 535 CG LYS A 36 22.684 2.497 -9.545 1.00 61.12 C ATOM 536 CD LYS A 36 23.621 3.045 -10.610 1.00 51.55 C ATOM 537 CE LYS A 36 24.773 3.820 -9.991 1.00 42.14 C ATOM 538 NZ LYS A 36 25.854 4.090 -10.979 1.00 24.44 N ATOM 0 H LYS A 36 20.466 0.342 -8.817 1.00 72.43 H new ATOM 0 HA LYS A 36 21.920 0.655 -11.311 1.00 2.34 H new ATOM 0 HB2 LYS A 36 22.614 0.718 -8.362 1.00 0.04 H new ATOM 0 HB3 LYS A 36 23.865 0.715 -9.589 1.00 0.04 H new ATOM 0 HG2 LYS A 36 21.654 2.740 -9.806 1.00 61.12 H new ATOM 0 HG3 LYS A 36 22.894 2.981 -8.591 1.00 61.12 H new ATOM 0 HD2 LYS A 36 24.014 2.223 -11.209 1.00 51.55 H new ATOM 0 HD3 LYS A 36 23.065 3.695 -11.286 1.00 51.55 H new ATOM 0 HE2 LYS A 36 24.402 4.764 -9.591 1.00 42.14 H new ATOM 0 HE3 LYS A 36 25.181 3.256 -9.152 1.00 42.14 H new ATOM 0 HZ1 LYS A 36 26.621 4.620 -10.518 1.00 24.44 H new ATOM 0 HZ2 LYS A 36 26.225 3.189 -11.342 1.00 24.44 H new ATOM 0 HZ3 LYS A 36 25.472 4.650 -11.768 1.00 24.44 H new ATOM 552 N LYS A 37 21.960 -2.113 -9.576 1.00 12.22 N ATOM 553 CA LYS A 37 22.371 -3.512 -9.594 1.00 55.42 C ATOM 554 C LYS A 37 23.878 -3.639 -9.402 1.00 33.33 C ATOM 555 O LYS A 37 24.625 -3.817 -10.365 1.00 61.04 O ATOM 556 CB LYS A 37 21.958 -4.170 -10.913 1.00 71.33 C ATOM 557 CG LYS A 37 20.618 -4.882 -10.843 1.00 11.12 C ATOM 558 CD LYS A 37 20.750 -6.259 -10.213 1.00 35.12 C ATOM 559 CE LYS A 37 19.389 -6.900 -9.986 1.00 53.45 C ATOM 560 NZ LYS A 37 18.753 -7.322 -11.265 1.00 63.35 N ATOM 0 H LYS A 37 21.292 -1.879 -8.841 1.00 12.22 H new ATOM 0 HA LYS A 37 21.873 -4.021 -8.769 1.00 55.42 H new ATOM 0 HB2 LYS A 37 21.915 -3.408 -11.692 1.00 71.33 H new ATOM 0 HB3 LYS A 37 22.725 -4.885 -11.209 1.00 71.33 H new ATOM 0 HG2 LYS A 37 19.916 -4.282 -10.264 1.00 11.12 H new ATOM 0 HG3 LYS A 37 20.203 -4.978 -11.846 1.00 11.12 H new ATOM 0 HD2 LYS A 37 21.352 -6.899 -10.858 1.00 35.12 H new ATOM 0 HD3 LYS A 37 21.278 -6.177 -9.263 1.00 35.12 H new ATOM 0 HE2 LYS A 37 19.500 -7.766 -9.333 1.00 53.45 H new ATOM 0 HE3 LYS A 37 18.737 -6.194 -9.472 1.00 53.45 H new ATOM 0 HZ1 LYS A 37 17.828 -7.754 -11.067 1.00 63.35 H new ATOM 0 HZ2 LYS A 37 18.623 -6.492 -11.879 1.00 63.35 H new ATOM 0 HZ3 LYS A 37 19.363 -8.015 -11.744 1.00 63.35 H new ATOM 574 N LYS A 38 24.321 -3.547 -8.152 1.00 4.42 N ATOM 575 CA LYS A 38 25.740 -3.654 -7.833 1.00 51.33 C ATOM 576 C LYS A 38 26.121 -5.099 -7.522 1.00 61.42 C ATOM 577 O LYS A 38 27.247 -5.525 -7.780 1.00 22.52 O ATOM 578 CB LYS A 38 26.083 -2.757 -6.641 1.00 54.14 C ATOM 579 CG LYS A 38 25.763 -1.291 -6.871 1.00 74.11 C ATOM 580 CD LYS A 38 26.743 -0.651 -7.839 1.00 31.25 C ATOM 581 CE LYS A 38 27.740 0.240 -7.115 1.00 2.02 C ATOM 582 NZ LYS A 38 27.073 1.401 -6.463 1.00 2.11 N ATOM 0 H LYS A 38 23.717 -3.399 -7.343 1.00 4.42 H new ATOM 0 HA LYS A 38 26.309 -3.327 -8.703 1.00 51.33 H new ATOM 0 HB2 LYS A 38 25.536 -3.106 -5.765 1.00 54.14 H new ATOM 0 HB3 LYS A 38 27.145 -2.857 -6.415 1.00 54.14 H new ATOM 0 HG2 LYS A 38 24.750 -1.196 -7.262 1.00 74.11 H new ATOM 0 HG3 LYS A 38 25.789 -0.759 -5.920 1.00 74.11 H new ATOM 0 HD2 LYS A 38 27.278 -1.429 -8.384 1.00 31.25 H new ATOM 0 HD3 LYS A 38 26.196 -0.063 -8.576 1.00 31.25 H new ATOM 0 HE2 LYS A 38 28.270 -0.344 -6.363 1.00 2.02 H new ATOM 0 HE3 LYS A 38 28.486 0.600 -7.823 1.00 2.02 H new ATOM 0 HZ1 LYS A 38 27.746 2.190 -6.387 1.00 2.11 H new ATOM 0 HZ2 LYS A 38 26.255 1.697 -7.033 1.00 2.11 H new ATOM 0 HZ3 LYS A 38 26.751 1.128 -5.513 1.00 2.11 H new ATOM 596 N HIS A 39 25.173 -5.850 -6.966 1.00 42.44 N ATOM 597 CA HIS A 39 25.410 -7.247 -6.623 1.00 11.14 C ATOM 598 C HIS A 39 26.658 -7.391 -5.759 1.00 51.54 C ATOM 599 O HIS A 39 26.630 -8.042 -4.714 1.00 62.15 O ATOM 600 CB HIS A 39 25.554 -8.089 -7.892 1.00 53.21 C ATOM 601 CG HIS A 39 25.163 -9.523 -7.706 1.00 52.54 C ATOM 602 ND1 HIS A 39 23.898 -10.000 -7.979 1.00 23.22 N ATOM 603 CD2 HIS A 39 25.880 -10.586 -7.274 1.00 15.32 C ATOM 604 CE1 HIS A 39 23.854 -11.295 -7.722 1.00 60.24 C ATOM 605 NE2 HIS A 39 25.042 -11.677 -7.292 1.00 63.44 N ATOM 0 H HIS A 39 24.236 -5.514 -6.744 1.00 42.44 H new ATOM 0 HA HIS A 39 24.552 -7.605 -6.053 1.00 11.14 H new ATOM 0 HB2 HIS A 39 24.940 -7.653 -8.680 1.00 53.21 H new ATOM 0 HB3 HIS A 39 26.588 -8.044 -8.233 1.00 53.21 H new ATOM 0 HD2 HIS A 39 26.917 -10.579 -6.971 1.00 15.32 H new ATOM 0 HE1 HIS A 39 22.991 -11.933 -7.843 1.00 60.24 H new ATOM 0 HE2 HIS A 39 25.297 -12.626 -7.018 1.00 63.44 H new TER 614 HIS A 39