USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 668 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc=-0.00253 (180deg=-0.0103) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 3 THR OG1 : rot -35:sc= 0.34 USER MOD Single : A 11 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.0874 X(o=-0.087,f=0.0026) USER MOD Single : A 22 ASN : amide:sc= 0.926 K(o=0.93,f=-0.86) USER MOD Single : A 24 LYS NZ :NH3+ 142:sc= -0.707 (180deg=-4.65!) USER MOD Single : A 30 ASN : amide:sc= 0.293 K(o=0.29,f=-5.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 164:sc= 1.3 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= -0.0267 (180deg=-0.14) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -172:sc= -0.832 (180deg=-0.907) USER MOD Single : A 95 THR OG1 : rot 87:sc= 1.13 USER MOD Single : A 99 GLN : amide:sc= -0.0645 K(o=-0.064,f=-3.5!) USER MOD Single : A 102 SER OG : rot -27:sc= 0.459 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.558 -15.886 24.717 1.00 4.41 N ATOM 2 CA MET A 1 1.790 -15.129 23.477 1.00 34.45 C ATOM 3 C MET A 1 2.030 -13.664 23.802 1.00 51.34 C ATOM 4 O MET A 1 1.286 -13.096 24.597 1.00 13.24 O ATOM 5 CB MET A 1 0.655 -15.305 22.458 1.00 63.40 C ATOM 6 CG MET A 1 -0.767 -15.112 22.999 1.00 74.11 C ATOM 7 SD MET A 1 -2.048 -15.305 21.730 1.00 41.33 S ATOM 8 CE MET A 1 -3.525 -15.129 22.761 1.00 62.24 C ATOM 0 H1 MET A 1 0.901 -16.670 24.527 1.00 4.41 H new ATOM 0 H2 MET A 1 2.461 -16.267 25.065 1.00 4.41 H new ATOM 0 H3 MET A 1 1.148 -15.257 25.436 1.00 4.41 H new ATOM 0 HA MET A 1 2.683 -15.534 23.002 1.00 34.45 H new ATOM 0 HB2 MET A 1 0.812 -14.598 21.643 1.00 63.40 H new ATOM 0 HB3 MET A 1 0.728 -16.305 22.031 1.00 63.40 H new ATOM 0 HG2 MET A 1 -0.945 -15.832 23.798 1.00 74.11 H new ATOM 0 HG3 MET A 1 -0.849 -14.119 23.440 1.00 74.11 H new ATOM 0 HE1 MET A 1 -4.416 -15.222 22.140 1.00 62.24 H new ATOM 0 HE2 MET A 1 -3.532 -15.908 23.523 1.00 62.24 H new ATOM 0 HE3 MET A 1 -3.518 -14.151 23.242 1.00 62.24 H new ATOM 16 N THR A 2 3.051 -13.048 23.197 1.00 73.52 N ATOM 17 CA THR A 2 3.309 -11.614 23.277 1.00 64.13 C ATOM 18 C THR A 2 3.749 -11.087 21.901 1.00 24.51 C ATOM 19 O THR A 2 3.029 -10.305 21.273 1.00 51.14 O ATOM 20 CB THR A 2 4.323 -11.283 24.400 1.00 62.23 C ATOM 21 OG1 THR A 2 5.571 -11.938 24.225 1.00 73.41 O ATOM 22 CG2 THR A 2 3.816 -11.638 25.802 1.00 12.21 C ATOM 0 H THR A 2 3.734 -13.547 22.627 1.00 73.52 H new ATOM 0 HA THR A 2 2.387 -11.100 23.548 1.00 64.13 H new ATOM 0 HB THR A 2 4.450 -10.203 24.321 1.00 62.23 H new ATOM 0 HG1 THR A 2 6.174 -11.694 24.958 1.00 73.41 H new ATOM 0 HG21 THR A 2 4.576 -11.380 26.540 1.00 12.21 H new ATOM 0 HG22 THR A 2 2.903 -11.080 26.011 1.00 12.21 H new ATOM 0 HG23 THR A 2 3.608 -12.707 25.854 1.00 12.21 H new ATOM 30 N THR A 3 4.935 -11.501 21.442 1.00 63.43 N ATOM 31 CA THR A 3 5.647 -10.991 20.267 1.00 4.35 C ATOM 32 C THR A 3 6.805 -11.952 19.879 1.00 33.44 C ATOM 33 O THR A 3 7.746 -11.590 19.162 1.00 50.30 O ATOM 34 CB THR A 3 6.059 -9.519 20.552 1.00 12.25 C ATOM 35 OG1 THR A 3 6.736 -8.916 19.467 1.00 11.15 O ATOM 36 CG2 THR A 3 6.924 -9.362 21.806 1.00 61.40 C ATOM 0 H THR A 3 5.453 -12.245 21.909 1.00 63.43 H new ATOM 0 HA THR A 3 5.014 -10.967 19.380 1.00 4.35 H new ATOM 0 HB THR A 3 5.109 -9.009 20.713 1.00 12.25 H new ATOM 0 HG1 THR A 3 7.288 -9.586 19.012 1.00 11.15 H new ATOM 0 HG21 THR A 3 7.175 -8.311 21.945 1.00 61.40 H new ATOM 0 HG22 THR A 3 6.373 -9.722 22.675 1.00 61.40 H new ATOM 0 HG23 THR A 3 7.840 -9.942 21.691 1.00 61.40 H new ATOM 44 N PHE A 4 6.771 -13.207 20.344 1.00 73.24 N ATOM 45 CA PHE A 4 7.768 -14.219 20.019 1.00 3.03 C ATOM 46 C PHE A 4 7.071 -15.551 19.758 1.00 21.33 C ATOM 47 O PHE A 4 6.846 -16.327 20.692 1.00 11.03 O ATOM 48 CB PHE A 4 8.830 -14.309 21.126 1.00 53.13 C ATOM 49 CG PHE A 4 9.841 -15.420 20.902 1.00 23.42 C ATOM 50 CD1 PHE A 4 10.552 -15.510 19.687 1.00 14.04 C ATOM 51 CD2 PHE A 4 10.018 -16.414 21.883 1.00 25.52 C ATOM 52 CE1 PHE A 4 11.394 -16.609 19.445 1.00 62.51 C ATOM 53 CE2 PHE A 4 10.836 -17.526 21.626 1.00 25.32 C ATOM 54 CZ PHE A 4 11.503 -17.637 20.395 1.00 42.33 C ATOM 0 H PHE A 4 6.037 -13.547 20.965 1.00 73.24 H new ATOM 0 HA PHE A 4 8.298 -13.940 19.109 1.00 3.03 H new ATOM 0 HB2 PHE A 4 9.356 -13.357 21.193 1.00 53.13 H new ATOM 0 HB3 PHE A 4 8.334 -14.467 22.084 1.00 53.13 H new ATOM 0 HD1 PHE A 4 10.449 -14.734 18.943 1.00 14.04 H new ATOM 0 HD2 PHE A 4 9.522 -16.321 22.838 1.00 25.52 H new ATOM 0 HE1 PHE A 4 11.959 -16.663 18.526 1.00 62.51 H new ATOM 0 HE2 PHE A 4 10.952 -18.296 22.375 1.00 25.32 H new ATOM 0 HZ PHE A 4 12.099 -18.512 20.180 1.00 42.33 H new ATOM 63 N ASP A 5 6.722 -15.790 18.491 1.00 5.12 N ATOM 64 CA ASP A 5 6.252 -17.068 17.960 1.00 70.23 C ATOM 65 C ASP A 5 7.072 -17.357 16.695 1.00 63.24 C ATOM 66 O ASP A 5 7.897 -16.529 16.298 1.00 10.35 O ATOM 67 CB ASP A 5 4.739 -17.024 17.689 1.00 11.11 C ATOM 68 CG ASP A 5 4.086 -18.404 17.802 1.00 34.55 C ATOM 69 OD1 ASP A 5 4.336 -19.269 16.925 1.00 21.23 O ATOM 70 OD2 ASP A 5 3.346 -18.624 18.784 1.00 3.23 O ATOM 0 H ASP A 5 6.762 -15.063 17.777 1.00 5.12 H new ATOM 0 HA ASP A 5 6.397 -17.875 18.679 1.00 70.23 H new ATOM 0 HB2 ASP A 5 4.266 -16.342 18.395 1.00 11.11 H new ATOM 0 HB3 ASP A 5 4.563 -16.622 16.691 1.00 11.11 H new ATOM 74 N ASP A 6 6.938 -18.534 16.090 1.00 34.34 N ATOM 75 CA ASP A 6 7.906 -19.042 15.112 1.00 30.32 C ATOM 76 C ASP A 6 7.532 -18.635 13.681 1.00 41.41 C ATOM 77 O ASP A 6 6.340 -18.525 13.373 1.00 10.33 O ATOM 78 CB ASP A 6 7.974 -20.559 15.256 1.00 14.42 C ATOM 79 CG ASP A 6 9.200 -21.097 14.532 1.00 43.31 C ATOM 80 OD1 ASP A 6 9.139 -21.300 13.298 1.00 64.30 O ATOM 81 OD2 ASP A 6 10.228 -21.288 15.216 1.00 13.24 O ATOM 0 H ASP A 6 6.156 -19.166 16.262 1.00 34.34 H new ATOM 0 HA ASP A 6 8.885 -18.606 15.308 1.00 30.32 H new ATOM 0 HB2 ASP A 6 8.016 -20.831 16.311 1.00 14.42 H new ATOM 0 HB3 ASP A 6 7.071 -21.012 14.846 1.00 14.42 H new ATOM 85 N ARG A 7 8.502 -18.407 12.786 1.00 13.25 N ATOM 86 CA ARG A 7 8.285 -17.690 11.524 1.00 31.25 C ATOM 87 C ARG A 7 8.231 -18.614 10.290 1.00 45.41 C ATOM 88 O ARG A 7 8.266 -18.097 9.174 1.00 65.51 O ATOM 89 CB ARG A 7 9.274 -16.507 11.380 1.00 1.14 C ATOM 90 CG ARG A 7 9.258 -15.482 12.541 1.00 74.33 C ATOM 91 CD ARG A 7 7.866 -14.860 12.737 1.00 45.34 C ATOM 92 NE ARG A 7 7.811 -13.738 13.693 1.00 73.22 N ATOM 93 CZ ARG A 7 8.057 -12.442 13.451 1.00 71.14 C ATOM 94 NH1 ARG A 7 8.571 -12.048 12.291 1.00 4.44 N ATOM 95 NH2 ARG A 7 7.777 -11.537 14.383 1.00 70.14 N ATOM 0 H ARG A 7 9.465 -18.717 12.919 1.00 13.25 H new ATOM 0 HA ARG A 7 7.285 -17.259 11.568 1.00 31.25 H new ATOM 0 HB2 ARG A 7 10.283 -16.909 11.286 1.00 1.14 H new ATOM 0 HB3 ARG A 7 9.053 -15.982 10.451 1.00 1.14 H new ATOM 0 HG2 ARG A 7 9.569 -15.973 13.463 1.00 74.33 H new ATOM 0 HG3 ARG A 7 9.983 -14.693 12.339 1.00 74.33 H new ATOM 0 HD2 ARG A 7 7.501 -14.512 11.771 1.00 45.34 H new ATOM 0 HD3 ARG A 7 7.182 -15.638 13.074 1.00 45.34 H new ATOM 0 HE ARG A 7 7.556 -13.976 14.651 1.00 73.22 H new ATOM 0 HH11 ARG A 7 8.785 -12.735 11.568 1.00 4.44 H new ATOM 0 HH12 ARG A 7 8.752 -11.058 12.123 1.00 4.44 H new ATOM 0 HH21 ARG A 7 7.378 -11.830 15.275 1.00 70.14 H new ATOM 0 HH22 ARG A 7 7.961 -10.549 14.207 1.00 70.14 H new ATOM 106 N GLU A 8 8.082 -19.937 10.430 1.00 61.33 N ATOM 107 CA GLU A 8 7.683 -20.847 9.340 1.00 3.32 C ATOM 108 C GLU A 8 6.151 -20.835 9.159 1.00 33.22 C ATOM 109 O GLU A 8 5.430 -21.060 10.129 1.00 12.22 O ATOM 110 CB GLU A 8 8.164 -22.272 9.664 1.00 62.32 C ATOM 111 CG GLU A 8 8.172 -23.198 8.435 1.00 13.15 C ATOM 112 CD GLU A 8 9.343 -22.970 7.479 1.00 11.11 C ATOM 113 OE1 GLU A 8 10.183 -22.078 7.709 1.00 43.30 O ATOM 114 OE2 GLU A 8 9.443 -23.699 6.464 1.00 54.44 O ATOM 0 H GLU A 8 8.237 -20.417 11.317 1.00 61.33 H new ATOM 0 HA GLU A 8 8.141 -20.510 8.410 1.00 3.32 H new ATOM 0 HB2 GLU A 8 9.169 -22.224 10.082 1.00 62.32 H new ATOM 0 HB3 GLU A 8 7.520 -22.701 10.431 1.00 62.32 H new ATOM 0 HG2 GLU A 8 8.193 -24.233 8.776 1.00 13.15 H new ATOM 0 HG3 GLU A 8 7.240 -23.062 7.887 1.00 13.15 H new ATOM 119 N ARG A 9 5.629 -20.608 7.942 1.00 54.12 N ATOM 120 CA ARG A 9 4.237 -20.870 7.501 1.00 61.53 C ATOM 121 C ARG A 9 3.120 -20.438 8.455 1.00 73.33 C ATOM 122 O ARG A 9 2.022 -20.997 8.465 1.00 61.41 O ATOM 123 CB ARG A 9 4.132 -22.341 7.063 1.00 62.50 C ATOM 124 CG ARG A 9 4.550 -22.505 5.594 1.00 51.14 C ATOM 125 CD ARG A 9 5.407 -23.753 5.385 1.00 21.44 C ATOM 126 NE ARG A 9 5.265 -24.254 4.007 1.00 33.24 N ATOM 127 CZ ARG A 9 4.385 -25.166 3.577 1.00 70.04 C ATOM 128 NH1 ARG A 9 3.539 -25.750 4.419 1.00 73.00 N ATOM 129 NH2 ARG A 9 4.330 -25.496 2.291 1.00 34.02 N ATOM 0 H ARG A 9 6.196 -20.214 7.191 1.00 54.12 H new ATOM 0 HA ARG A 9 4.050 -20.208 6.655 1.00 61.53 H new ATOM 0 HB2 ARG A 9 4.766 -22.960 7.697 1.00 62.50 H new ATOM 0 HB3 ARG A 9 3.109 -22.692 7.196 1.00 62.50 H new ATOM 0 HG2 ARG A 9 3.660 -22.566 4.967 1.00 51.14 H new ATOM 0 HG3 ARG A 9 5.106 -21.624 5.274 1.00 51.14 H new ATOM 0 HD2 ARG A 9 6.453 -23.521 5.587 1.00 21.44 H new ATOM 0 HD3 ARG A 9 5.110 -24.528 6.092 1.00 21.44 H new ATOM 0 HE ARG A 9 5.902 -23.867 3.310 1.00 33.24 H new ATOM 0 HH11 ARG A 9 3.554 -25.505 5.409 1.00 73.00 H new ATOM 0 HH12 ARG A 9 2.874 -26.443 4.075 1.00 73.00 H new ATOM 0 HH21 ARG A 9 4.961 -25.053 1.623 1.00 34.02 H new ATOM 0 HH22 ARG A 9 3.656 -26.192 1.971 1.00 34.02 H new ATOM 140 N ALA A 10 3.352 -19.347 9.167 1.00 32.14 N ATOM 141 CA ALA A 10 2.364 -18.668 9.979 1.00 44.02 C ATOM 142 C ALA A 10 2.518 -17.143 9.888 1.00 21.54 C ATOM 143 O ALA A 10 1.693 -16.429 10.449 1.00 52.13 O ATOM 144 CB ALA A 10 2.366 -19.158 11.431 1.00 72.54 C ATOM 0 H ALA A 10 4.267 -18.897 9.194 1.00 32.14 H new ATOM 0 HA ALA A 10 1.386 -18.923 9.571 1.00 44.02 H new ATOM 0 HB1 ALA A 10 1.608 -18.618 11.998 1.00 72.54 H new ATOM 0 HB2 ALA A 10 2.146 -20.225 11.455 1.00 72.54 H new ATOM 0 HB3 ALA A 10 3.346 -18.980 11.874 1.00 72.54 H new ATOM 150 N HIS A 11 3.509 -16.614 9.153 1.00 73.24 N ATOM 151 CA HIS A 11 3.689 -15.172 9.031 1.00 21.55 C ATOM 152 C HIS A 11 3.858 -14.647 7.617 1.00 12.23 C ATOM 153 O HIS A 11 3.631 -13.461 7.391 1.00 25.51 O ATOM 154 CB HIS A 11 4.782 -14.684 9.988 1.00 10.01 C ATOM 155 CG HIS A 11 4.374 -14.609 11.445 1.00 52.42 C ATOM 156 ND1 HIS A 11 3.642 -13.608 12.044 1.00 32.32 N ATOM 157 CD2 HIS A 11 4.731 -15.485 12.432 1.00 70.10 C ATOM 158 CE1 HIS A 11 3.597 -13.855 13.363 1.00 22.54 C ATOM 159 NE2 HIS A 11 4.260 -14.989 13.653 1.00 33.13 N ATOM 0 H HIS A 11 4.193 -17.168 8.638 1.00 73.24 H new ATOM 0 HA HIS A 11 2.739 -14.732 9.334 1.00 21.55 H new ATOM 0 HB2 HIS A 11 5.642 -15.348 9.901 1.00 10.01 H new ATOM 0 HB3 HIS A 11 5.109 -13.695 9.667 1.00 10.01 H new ATOM 0 HD2 HIS A 11 5.282 -16.403 12.293 1.00 70.10 H new ATOM 0 HE1 HIS A 11 3.098 -13.231 14.090 1.00 22.54 H new ATOM 0 HE2 HIS A 11 4.393 -15.403 14.576 1.00 33.13 H new ATOM 166 N GLU A 12 4.026 -15.489 6.615 1.00 11.01 N ATOM 167 CA GLU A 12 3.837 -15.132 5.235 1.00 12.21 C ATOM 168 C GLU A 12 2.788 -16.062 4.576 1.00 21.31 C ATOM 169 O GLU A 12 2.106 -15.621 3.645 1.00 3.13 O ATOM 170 CB GLU A 12 5.244 -15.025 4.628 1.00 2.01 C ATOM 171 CG GLU A 12 5.140 -15.285 3.152 1.00 12.43 C ATOM 172 CD GLU A 12 6.276 -14.748 2.284 1.00 21.24 C ATOM 173 OE1 GLU A 12 6.861 -13.682 2.597 1.00 1.43 O ATOM 174 OE2 GLU A 12 6.427 -15.271 1.156 1.00 21.13 O ATOM 0 H GLU A 12 4.304 -16.461 6.749 1.00 11.01 H new ATOM 0 HA GLU A 12 3.375 -14.160 5.061 1.00 12.21 H new ATOM 0 HB2 GLU A 12 5.663 -14.035 4.811 1.00 2.01 H new ATOM 0 HB3 GLU A 12 5.915 -15.746 5.095 1.00 2.01 H new ATOM 0 HG2 GLU A 12 5.074 -16.362 2.999 1.00 12.43 H new ATOM 0 HG3 GLU A 12 4.205 -14.854 2.795 1.00 12.43 H new ATOM 179 N ALA A 13 2.575 -17.295 5.059 1.00 51.21 N ATOM 180 CA ALA A 13 1.482 -18.135 4.592 1.00 42.00 C ATOM 181 C ALA A 13 0.164 -17.671 5.216 1.00 72.24 C ATOM 182 O ALA A 13 -0.839 -17.528 4.519 1.00 50.10 O ATOM 183 CB ALA A 13 1.757 -19.603 4.939 1.00 62.14 C ATOM 0 H ALA A 13 3.155 -17.728 5.778 1.00 51.21 H new ATOM 0 HA ALA A 13 1.404 -18.048 3.508 1.00 42.00 H new ATOM 0 HB1 ALA A 13 0.932 -20.221 4.585 1.00 62.14 H new ATOM 0 HB2 ALA A 13 2.682 -19.923 4.460 1.00 62.14 H new ATOM 0 HB3 ALA A 13 1.852 -19.710 6.020 1.00 62.14 H new ATOM 189 N LYS A 14 0.134 -17.467 6.538 1.00 61.02 N ATOM 190 CA LYS A 14 -1.112 -17.325 7.297 1.00 54.52 C ATOM 191 C LYS A 14 -2.070 -16.297 6.716 1.00 30.13 C ATOM 192 O LYS A 14 -3.251 -16.608 6.577 1.00 73.23 O ATOM 193 CB LYS A 14 -0.799 -16.953 8.745 1.00 10.54 C ATOM 194 CG LYS A 14 -1.995 -17.153 9.677 1.00 3.55 C ATOM 195 CD LYS A 14 -1.579 -16.896 11.131 1.00 62.30 C ATOM 196 CE LYS A 14 -2.718 -17.151 12.120 1.00 51.52 C ATOM 197 NZ LYS A 14 -3.820 -16.179 11.979 1.00 31.13 N ATOM 0 H LYS A 14 0.974 -17.396 7.112 1.00 61.02 H new ATOM 0 HA LYS A 14 -1.611 -18.292 7.240 1.00 54.52 H new ATOM 0 HB2 LYS A 14 0.037 -17.557 9.098 1.00 10.54 H new ATOM 0 HB3 LYS A 14 -0.480 -15.911 8.788 1.00 10.54 H new ATOM 0 HG2 LYS A 14 -2.802 -16.476 9.396 1.00 3.55 H new ATOM 0 HG3 LYS A 14 -2.380 -18.168 9.575 1.00 3.55 H new ATOM 0 HD2 LYS A 14 -0.734 -17.537 11.382 1.00 62.30 H new ATOM 0 HD3 LYS A 14 -1.239 -15.865 11.231 1.00 62.30 H new ATOM 0 HE2 LYS A 14 -3.106 -18.159 11.970 1.00 51.52 H new ATOM 0 HE3 LYS A 14 -2.328 -17.108 13.137 1.00 51.52 H new ATOM 0 HZ1 LYS A 14 -4.565 -16.396 12.671 1.00 31.13 H new ATOM 0 HZ2 LYS A 14 -3.459 -15.218 12.148 1.00 31.13 H new ATOM 0 HZ3 LYS A 14 -4.213 -16.237 11.018 1.00 31.13 H new ATOM 207 N PHE A 15 -1.578 -15.101 6.406 1.00 65.13 N ATOM 208 CA PHE A 15 -2.364 -13.979 5.914 1.00 13.25 C ATOM 209 C PHE A 15 -2.483 -13.945 4.377 1.00 23.41 C ATOM 210 O PHE A 15 -3.061 -13.014 3.815 1.00 34.13 O ATOM 211 CB PHE A 15 -1.728 -12.669 6.393 1.00 45.24 C ATOM 212 CG PHE A 15 -1.926 -12.186 7.813 1.00 42.12 C ATOM 213 CD1 PHE A 15 -3.124 -11.518 8.152 1.00 44.53 C ATOM 214 CD2 PHE A 15 -0.851 -12.219 8.734 1.00 65.24 C ATOM 215 CE1 PHE A 15 -3.266 -10.931 9.421 1.00 64.22 C ATOM 216 CE2 PHE A 15 -1.002 -11.596 9.987 1.00 64.43 C ATOM 217 CZ PHE A 15 -2.201 -10.955 10.334 1.00 45.13 C ATOM 0 H PHE A 15 -0.586 -14.881 6.494 1.00 65.13 H new ATOM 0 HA PHE A 15 -3.372 -14.100 6.312 1.00 13.25 H new ATOM 0 HB2 PHE A 15 -0.654 -12.757 6.231 1.00 45.24 H new ATOM 0 HB3 PHE A 15 -2.086 -11.879 5.733 1.00 45.24 H new ATOM 0 HD1 PHE A 15 -3.930 -11.459 7.436 1.00 44.53 H new ATOM 0 HD2 PHE A 15 0.073 -12.716 8.478 1.00 65.24 H new ATOM 0 HE1 PHE A 15 -4.198 -10.460 9.694 1.00 64.22 H new ATOM 0 HE2 PHE A 15 -0.183 -11.612 10.691 1.00 64.43 H new ATOM 0 HZ PHE A 15 -2.304 -10.482 11.300 1.00 45.13 H new ATOM 226 N ALA A 16 -1.889 -14.897 3.660 1.00 10.52 N ATOM 227 CA ALA A 16 -1.820 -14.900 2.199 1.00 32.15 C ATOM 228 C ALA A 16 -2.893 -15.787 1.548 1.00 4.41 C ATOM 229 O ALA A 16 -2.726 -16.206 0.402 1.00 5.31 O ATOM 230 CB ALA A 16 -0.408 -15.324 1.788 1.00 71.00 C ATOM 0 H ALA A 16 -1.433 -15.704 4.086 1.00 10.52 H new ATOM 0 HA ALA A 16 -2.029 -13.894 1.837 1.00 32.15 H new ATOM 0 HB1 ALA A 16 -0.333 -15.333 0.701 1.00 71.00 H new ATOM 0 HB2 ALA A 16 0.317 -14.619 2.196 1.00 71.00 H new ATOM 0 HB3 ALA A 16 -0.201 -16.322 2.175 1.00 71.00 H new ATOM 236 N HIS A 17 -3.958 -16.134 2.266 1.00 44.14 N ATOM 237 CA HIS A 17 -4.881 -17.216 1.947 1.00 72.40 C ATOM 238 C HIS A 17 -6.254 -16.901 2.571 1.00 54.53 C ATOM 239 O HIS A 17 -6.695 -17.615 3.477 1.00 24.21 O ATOM 240 CB HIS A 17 -4.266 -18.525 2.503 1.00 44.40 C ATOM 241 CG HIS A 17 -3.213 -19.155 1.624 1.00 72.13 C ATOM 242 ND1 HIS A 17 -3.495 -19.873 0.488 1.00 52.10 N ATOM 243 CD2 HIS A 17 -1.856 -19.215 1.821 1.00 73.33 C ATOM 244 CE1 HIS A 17 -2.343 -20.366 0.014 1.00 12.53 C ATOM 245 NE2 HIS A 17 -1.309 -19.999 0.796 1.00 11.51 N ATOM 0 H HIS A 17 -4.211 -15.645 3.125 1.00 44.14 H new ATOM 0 HA HIS A 17 -5.033 -17.327 0.873 1.00 72.40 H new ATOM 0 HB2 HIS A 17 -3.827 -18.317 3.479 1.00 44.40 H new ATOM 0 HB3 HIS A 17 -5.067 -19.247 2.661 1.00 44.40 H new ATOM 0 HD2 HIS A 17 -1.308 -18.743 2.623 1.00 73.33 H new ATOM 0 HE1 HIS A 17 -2.255 -20.975 -0.874 1.00 12.53 H new ATOM 0 HE2 HIS A 17 -0.327 -20.242 0.668 1.00 11.51 H new ATOM 252 N ASP A 18 -6.881 -15.781 2.192 1.00 14.11 N ATOM 253 CA ASP A 18 -8.161 -15.284 2.725 1.00 62.23 C ATOM 254 C ASP A 18 -8.713 -14.167 1.836 1.00 42.50 C ATOM 255 O ASP A 18 -8.008 -13.695 0.946 1.00 2.43 O ATOM 256 CB ASP A 18 -8.000 -14.729 4.121 1.00 10.21 C ATOM 257 CG ASP A 18 -9.323 -14.796 4.886 1.00 72.04 C ATOM 258 OD1 ASP A 18 -9.689 -15.907 5.318 1.00 4.44 O ATOM 259 OD2 ASP A 18 -10.034 -13.774 4.969 1.00 23.24 O ATOM 0 H ASP A 18 -6.495 -15.167 1.474 1.00 14.11 H new ATOM 0 HA ASP A 18 -8.847 -16.131 2.746 1.00 62.23 H new ATOM 0 HB2 ASP A 18 -7.236 -15.293 4.656 1.00 10.21 H new ATOM 0 HB3 ASP A 18 -7.656 -13.696 4.069 1.00 10.21 H new ATOM 263 N ALA A 19 -9.901 -13.642 2.130 1.00 63.02 N ATOM 264 CA ALA A 19 -10.309 -12.324 1.669 1.00 43.20 C ATOM 265 C ALA A 19 -9.679 -11.247 2.569 1.00 52.31 C ATOM 266 O ALA A 19 -8.877 -10.422 2.128 1.00 42.31 O ATOM 267 CB ALA A 19 -11.842 -12.247 1.704 1.00 43.53 C ATOM 0 H ALA A 19 -10.604 -14.120 2.694 1.00 63.02 H new ATOM 0 HA ALA A 19 -9.968 -12.152 0.648 1.00 43.20 H new ATOM 0 HB1 ALA A 19 -12.165 -11.264 1.361 1.00 43.53 H new ATOM 0 HB2 ALA A 19 -12.260 -13.014 1.052 1.00 43.53 H new ATOM 0 HB3 ALA A 19 -12.191 -12.408 2.724 1.00 43.53 H new ATOM 273 N GLU A 20 -10.024 -11.283 3.854 1.00 33.45 N ATOM 274 CA GLU A 20 -9.827 -10.226 4.840 1.00 50.54 C ATOM 275 C GLU A 20 -8.349 -10.120 5.216 1.00 25.43 C ATOM 276 O GLU A 20 -7.761 -9.037 5.235 1.00 2.51 O ATOM 277 CB GLU A 20 -10.693 -10.546 6.072 1.00 22.11 C ATOM 278 CG GLU A 20 -10.636 -9.441 7.137 1.00 62.40 C ATOM 279 CD GLU A 20 -11.306 -9.858 8.446 1.00 31.32 C ATOM 280 OE1 GLU A 20 -10.973 -10.937 8.990 1.00 22.41 O ATOM 281 OE2 GLU A 20 -12.097 -9.063 9.002 1.00 50.32 O ATOM 0 H GLU A 20 -10.477 -12.103 4.258 1.00 33.45 H new ATOM 0 HA GLU A 20 -10.127 -9.263 4.427 1.00 50.54 H new ATOM 0 HB2 GLU A 20 -11.727 -10.689 5.758 1.00 22.11 H new ATOM 0 HB3 GLU A 20 -10.360 -11.486 6.511 1.00 22.11 H new ATOM 0 HG2 GLU A 20 -9.595 -9.181 7.331 1.00 62.40 H new ATOM 0 HG3 GLU A 20 -11.122 -8.544 6.753 1.00 62.40 H new ATOM 286 N LEU A 21 -7.715 -11.255 5.503 1.00 34.42 N ATOM 287 CA LEU A 21 -6.324 -11.346 5.870 1.00 13.33 C ATOM 288 C LEU A 21 -5.379 -10.940 4.738 1.00 11.53 C ATOM 289 O LEU A 21 -4.208 -10.666 5.007 1.00 44.40 O ATOM 290 CB LEU A 21 -6.045 -12.776 6.337 1.00 42.23 C ATOM 291 CG LEU A 21 -6.391 -12.989 7.821 1.00 5.52 C ATOM 292 CD1 LEU A 21 -7.835 -13.460 8.036 1.00 22.14 C ATOM 293 CD2 LEU A 21 -5.420 -14.021 8.380 1.00 3.21 C ATOM 0 H LEU A 21 -8.182 -12.162 5.483 1.00 34.42 H new ATOM 0 HA LEU A 21 -6.131 -10.638 6.676 1.00 13.33 H new ATOM 0 HB2 LEU A 21 -6.622 -13.473 5.729 1.00 42.23 H new ATOM 0 HB3 LEU A 21 -4.992 -13.009 6.176 1.00 42.23 H new ATOM 0 HG LEU A 21 -6.302 -12.033 8.338 1.00 5.52 H new ATOM 0 HD11 LEU A 21 -8.019 -13.593 9.102 1.00 22.14 H new ATOM 0 HD12 LEU A 21 -8.524 -12.715 7.639 1.00 22.14 H new ATOM 0 HD13 LEU A 21 -7.989 -14.408 7.520 1.00 22.14 H new ATOM 0 HD21 LEU A 21 -5.640 -14.194 9.433 1.00 3.21 H new ATOM 0 HD22 LEU A 21 -5.525 -14.955 7.829 1.00 3.21 H new ATOM 0 HD23 LEU A 21 -4.399 -13.653 8.278 1.00 3.21 H new ATOM 304 N ASN A 22 -5.858 -10.830 3.498 1.00 23.33 N ATOM 305 CA ASN A 22 -5.099 -10.170 2.442 1.00 43.14 C ATOM 306 C ASN A 22 -5.320 -8.658 2.499 1.00 24.22 C ATOM 307 O ASN A 22 -4.370 -7.885 2.357 1.00 61.14 O ATOM 308 CB ASN A 22 -5.440 -10.757 1.067 1.00 14.42 C ATOM 309 CG ASN A 22 -4.676 -12.059 0.842 1.00 63.02 C ATOM 310 OD1 ASN A 22 -3.458 -12.074 0.661 1.00 3.33 O ATOM 311 ND2 ASN A 22 -5.364 -13.178 0.879 1.00 71.41 N ATOM 0 H ASN A 22 -6.766 -11.189 3.204 1.00 23.33 H new ATOM 0 HA ASN A 22 -4.037 -10.354 2.604 1.00 43.14 H new ATOM 0 HB2 ASN A 22 -6.512 -10.940 0.998 1.00 14.42 H new ATOM 0 HB3 ASN A 22 -5.188 -10.040 0.285 1.00 14.42 H new ATOM 0 HD21 ASN A 22 -4.890 -14.073 0.757 1.00 71.41 H new ATOM 0 HD22 ASN A 22 -6.372 -13.152 1.030 1.00 71.41 H new ATOM 317 N PHE A 23 -6.543 -8.217 2.786 1.00 71.24 N ATOM 318 CA PHE A 23 -6.939 -6.808 2.783 1.00 31.34 C ATOM 319 C PHE A 23 -6.176 -5.968 3.811 1.00 21.11 C ATOM 320 O PHE A 23 -5.890 -4.796 3.559 1.00 65.11 O ATOM 321 CB PHE A 23 -8.456 -6.705 2.989 1.00 65.11 C ATOM 322 CG PHE A 23 -9.202 -6.425 1.697 1.00 73.41 C ATOM 323 CD1 PHE A 23 -9.082 -7.313 0.611 1.00 11.52 C ATOM 324 CD2 PHE A 23 -9.989 -5.264 1.559 1.00 1.13 C ATOM 325 CE1 PHE A 23 -9.728 -7.032 -0.603 1.00 3.24 C ATOM 326 CE2 PHE A 23 -10.650 -4.995 0.349 1.00 74.22 C ATOM 327 CZ PHE A 23 -10.510 -5.875 -0.734 1.00 24.22 C ATOM 0 H PHE A 23 -7.307 -8.846 3.034 1.00 71.24 H new ATOM 0 HA PHE A 23 -6.675 -6.391 1.811 1.00 31.34 H new ATOM 0 HB2 PHE A 23 -8.824 -7.635 3.423 1.00 65.11 H new ATOM 0 HB3 PHE A 23 -8.669 -5.912 3.706 1.00 65.11 H new ATOM 0 HD1 PHE A 23 -8.492 -8.212 0.712 1.00 11.52 H new ATOM 0 HD2 PHE A 23 -10.084 -4.578 2.388 1.00 1.13 H new ATOM 0 HE1 PHE A 23 -9.623 -7.708 -1.438 1.00 3.24 H new ATOM 0 HE2 PHE A 23 -11.265 -4.112 0.253 1.00 74.22 H new ATOM 0 HZ PHE A 23 -11.005 -5.662 -1.670 1.00 24.22 H new ATOM 336 N LYS A 24 -5.772 -6.564 4.938 1.00 43.20 N ATOM 337 CA LYS A 24 -4.880 -5.930 5.917 1.00 43.10 C ATOM 338 C LYS A 24 -3.591 -5.425 5.278 1.00 74.32 C ATOM 339 O LYS A 24 -3.178 -4.293 5.513 1.00 21.52 O ATOM 340 CB LYS A 24 -4.700 -6.853 7.131 1.00 70.20 C ATOM 341 CG LYS A 24 -3.989 -8.181 6.893 1.00 72.22 C ATOM 342 CD LYS A 24 -2.473 -8.114 7.083 1.00 61.24 C ATOM 343 CE LYS A 24 -1.780 -8.611 5.812 1.00 21.21 C ATOM 344 NZ LYS A 24 -0.832 -9.731 5.978 1.00 34.41 N ATOM 0 H LYS A 24 -6.057 -7.508 5.199 1.00 43.20 H new ATOM 0 HA LYS A 24 -5.341 -5.020 6.300 1.00 43.10 H new ATOM 0 HB2 LYS A 24 -4.147 -6.305 7.894 1.00 70.20 H new ATOM 0 HB3 LYS A 24 -5.686 -7.066 7.543 1.00 70.20 H new ATOM 0 HG2 LYS A 24 -4.398 -8.928 7.573 1.00 72.22 H new ATOM 0 HG3 LYS A 24 -4.204 -8.521 5.880 1.00 72.22 H new ATOM 0 HD2 LYS A 24 -2.167 -7.091 7.301 1.00 61.24 H new ATOM 0 HD3 LYS A 24 -2.175 -8.724 7.936 1.00 61.24 H new ATOM 0 HE2 LYS A 24 -2.548 -8.915 5.101 1.00 21.21 H new ATOM 0 HE3 LYS A 24 -1.245 -7.773 5.364 1.00 21.21 H new ATOM 0 HZ1 LYS A 24 -0.913 -10.377 5.167 1.00 34.41 H new ATOM 0 HZ2 LYS A 24 0.138 -9.360 6.029 1.00 34.41 H new ATOM 0 HZ3 LYS A 24 -1.053 -10.246 6.854 1.00 34.41 H new ATOM 354 N ALA A 25 -2.992 -6.244 4.417 1.00 74.20 N ATOM 355 CA ALA A 25 -1.792 -5.864 3.676 1.00 32.41 C ATOM 356 C ALA A 25 -2.117 -4.700 2.755 1.00 71.53 C ATOM 357 O ALA A 25 -1.411 -3.695 2.755 1.00 1.41 O ATOM 358 CB ALA A 25 -1.216 -7.018 2.845 1.00 32.35 C ATOM 0 H ALA A 25 -3.323 -7.187 4.214 1.00 74.20 H new ATOM 0 HA ALA A 25 -1.036 -5.582 4.409 1.00 32.41 H new ATOM 0 HB1 ALA A 25 -0.326 -6.677 2.316 1.00 32.35 H new ATOM 0 HB2 ALA A 25 -0.952 -7.845 3.504 1.00 32.35 H new ATOM 0 HB3 ALA A 25 -1.960 -7.353 2.123 1.00 32.35 H new ATOM 364 N GLU A 26 -3.167 -4.875 1.952 1.00 1.14 N ATOM 365 CA GLU A 26 -3.583 -3.993 0.871 1.00 51.05 C ATOM 366 C GLU A 26 -3.684 -2.539 1.348 1.00 12.34 C ATOM 367 O GLU A 26 -2.947 -1.665 0.871 1.00 12.31 O ATOM 368 CB GLU A 26 -4.893 -4.558 0.298 1.00 14.40 C ATOM 369 CG GLU A 26 -5.142 -4.081 -1.132 1.00 70.15 C ATOM 370 CD GLU A 26 -5.762 -5.180 -1.986 1.00 72.01 C ATOM 371 OE1 GLU A 26 -5.068 -6.195 -2.240 1.00 73.01 O ATOM 372 OE2 GLU A 26 -6.944 -5.053 -2.375 1.00 32.34 O ATOM 0 H GLU A 26 -3.782 -5.683 2.047 1.00 1.14 H new ATOM 0 HA GLU A 26 -2.842 -3.963 0.073 1.00 51.05 H new ATOM 0 HB2 GLU A 26 -4.857 -5.647 0.316 1.00 14.40 H new ATOM 0 HB3 GLU A 26 -5.727 -4.256 0.932 1.00 14.40 H new ATOM 0 HG2 GLU A 26 -5.802 -3.214 -1.118 1.00 70.15 H new ATOM 0 HG3 GLU A 26 -4.201 -3.759 -1.578 1.00 70.15 H new ATOM 377 N ALA A 27 -4.481 -2.324 2.399 1.00 12.34 N ATOM 378 CA ALA A 27 -4.645 -1.038 3.061 1.00 41.02 C ATOM 379 C ALA A 27 -3.292 -0.434 3.431 1.00 31.10 C ATOM 380 O ALA A 27 -2.983 0.707 3.072 1.00 14.20 O ATOM 381 CB ALA A 27 -5.495 -1.224 4.326 1.00 73.23 C ATOM 0 H ALA A 27 -5.043 -3.064 2.820 1.00 12.34 H new ATOM 0 HA ALA A 27 -5.145 -0.354 2.375 1.00 41.02 H new ATOM 0 HB1 ALA A 27 -5.620 -0.263 4.825 1.00 73.23 H new ATOM 0 HB2 ALA A 27 -6.473 -1.621 4.052 1.00 73.23 H new ATOM 0 HB3 ALA A 27 -4.996 -1.920 5.000 1.00 73.23 H new ATOM 387 N ARG A 28 -2.477 -1.197 4.169 1.00 65.35 N ATOM 388 CA ARG A 28 -1.194 -0.720 4.665 1.00 31.53 C ATOM 389 C ARG A 28 -0.229 -0.405 3.518 1.00 72.32 C ATOM 390 O ARG A 28 0.659 0.403 3.739 1.00 2.21 O ATOM 391 CB ARG A 28 -0.594 -1.732 5.667 1.00 12.03 C ATOM 392 CG ARG A 28 -0.187 -1.151 7.036 1.00 42.10 C ATOM 393 CD ARG A 28 0.929 -0.101 6.979 1.00 52.31 C ATOM 394 NE ARG A 28 1.448 0.267 8.316 1.00 31.11 N ATOM 395 CZ ARG A 28 2.684 0.015 8.777 1.00 61.13 C ATOM 396 NH1 ARG A 28 3.424 -0.934 8.223 1.00 33.44 N ATOM 397 NH2 ARG A 28 3.189 0.716 9.783 1.00 14.34 N ATOM 0 H ARG A 28 -2.693 -2.158 4.435 1.00 65.35 H new ATOM 0 HA ARG A 28 -1.359 0.217 5.197 1.00 31.53 H new ATOM 0 HB2 ARG A 28 -1.320 -2.528 5.831 1.00 12.03 H new ATOM 0 HB3 ARG A 28 0.284 -2.191 5.211 1.00 12.03 H new ATOM 0 HG2 ARG A 28 -1.065 -0.703 7.501 1.00 42.10 H new ATOM 0 HG3 ARG A 28 0.134 -1.968 7.682 1.00 42.10 H new ATOM 0 HD2 ARG A 28 1.748 -0.483 6.370 1.00 52.31 H new ATOM 0 HD3 ARG A 28 0.553 0.794 6.483 1.00 52.31 H new ATOM 0 HE ARG A 28 0.809 0.756 8.943 1.00 31.11 H new ATOM 0 HH11 ARG A 28 3.056 -1.477 7.442 1.00 33.44 H new ATOM 0 HH12 ARG A 28 4.362 -1.121 8.577 1.00 33.44 H new ATOM 0 HH21 ARG A 28 2.637 1.457 10.216 1.00 14.34 H new ATOM 0 HH22 ARG A 28 4.129 0.515 10.124 1.00 14.34 H new ATOM 408 N ARG A 29 -0.369 -0.954 2.299 1.00 72.53 N ATOM 409 CA ARG A 29 0.472 -0.536 1.164 1.00 43.12 C ATOM 410 C ARG A 29 -0.030 0.794 0.616 1.00 11.43 C ATOM 411 O ARG A 29 0.751 1.735 0.472 1.00 54.11 O ATOM 412 CB ARG A 29 0.515 -1.537 -0.015 1.00 72.34 C ATOM 413 CG ARG A 29 0.210 -3.010 0.267 1.00 1.23 C ATOM 414 CD ARG A 29 0.679 -3.881 -0.898 1.00 33.31 C ATOM 415 NE ARG A 29 -0.026 -5.163 -0.952 1.00 31.24 N ATOM 416 CZ ARG A 29 0.314 -6.301 -0.345 1.00 41.31 C ATOM 417 NH1 ARG A 29 1.486 -6.417 0.273 1.00 32.13 N ATOM 418 NH2 ARG A 29 -0.532 -7.321 -0.342 1.00 13.24 N ATOM 0 H ARG A 29 -1.049 -1.681 2.075 1.00 72.53 H new ATOM 0 HA ARG A 29 1.481 -0.469 1.570 1.00 43.12 H new ATOM 0 HB2 ARG A 29 -0.191 -1.191 -0.770 1.00 72.34 H new ATOM 0 HB3 ARG A 29 1.509 -1.483 -0.460 1.00 72.34 H new ATOM 0 HG2 ARG A 29 0.706 -3.322 1.186 1.00 1.23 H new ATOM 0 HG3 ARG A 29 -0.861 -3.144 0.422 1.00 1.23 H new ATOM 0 HD2 ARG A 29 0.526 -3.345 -1.834 1.00 33.31 H new ATOM 0 HD3 ARG A 29 1.750 -4.061 -0.806 1.00 33.31 H new ATOM 0 HE ARG A 29 -0.874 -5.189 -1.518 1.00 31.24 H new ATOM 0 HH11 ARG A 29 2.136 -5.631 0.286 1.00 32.13 H new ATOM 0 HH12 ARG A 29 1.735 -7.292 0.734 1.00 32.13 H new ATOM 0 HH21 ARG A 29 -1.438 -7.234 -0.802 1.00 13.24 H new ATOM 0 HH22 ARG A 29 -0.277 -8.194 0.121 1.00 13.24 H new ATOM 429 N ASN A 30 -1.322 0.867 0.282 1.00 23.50 N ATOM 430 CA ASN A 30 -1.962 2.046 -0.317 1.00 33.23 C ATOM 431 C ASN A 30 -1.733 3.276 0.555 1.00 10.12 C ATOM 432 O ASN A 30 -1.508 4.364 0.032 1.00 53.34 O ATOM 433 CB ASN A 30 -3.472 1.783 -0.477 1.00 61.35 C ATOM 434 CG ASN A 30 -3.902 1.546 -1.917 1.00 33.31 C ATOM 435 OD1 ASN A 30 -3.164 1.793 -2.871 1.00 62.41 O ATOM 436 ND2 ASN A 30 -5.114 1.088 -2.098 1.00 42.15 N ATOM 0 H ASN A 30 -1.968 0.091 0.423 1.00 23.50 H new ATOM 0 HA ASN A 30 -1.521 2.232 -1.296 1.00 33.23 H new ATOM 0 HB2 ASN A 30 -3.746 0.915 0.122 1.00 61.35 H new ATOM 0 HB3 ASN A 30 -4.024 2.633 -0.077 1.00 61.35 H new ATOM 0 HD21 ASN A 30 -5.463 0.929 -3.043 1.00 42.15 H new ATOM 0 HD22 ASN A 30 -5.710 0.890 -1.294 1.00 42.15 H new ATOM 442 N ARG A 31 -1.717 3.097 1.882 1.00 22.10 N ATOM 443 CA ARG A 31 -1.311 4.104 2.864 1.00 34.33 C ATOM 444 C ARG A 31 -0.013 4.800 2.448 1.00 32.40 C ATOM 445 O ARG A 31 -0.014 6.016 2.291 1.00 1.00 O ATOM 446 CB ARG A 31 -1.245 3.410 4.245 1.00 50.41 C ATOM 447 CG ARG A 31 -0.890 4.302 5.447 1.00 30.12 C ATOM 448 CD ARG A 31 -1.215 3.542 6.747 1.00 22.23 C ATOM 449 NE ARG A 31 -1.007 4.341 7.969 1.00 21.44 N ATOM 450 CZ ARG A 31 -1.918 4.600 8.922 1.00 31.13 C ATOM 451 NH1 ARG A 31 -3.207 4.304 8.778 1.00 61.45 N ATOM 452 NH2 ARG A 31 -1.551 5.167 10.061 1.00 70.24 N ATOM 0 H ARG A 31 -1.996 2.216 2.314 1.00 22.10 H new ATOM 0 HA ARG A 31 -2.039 4.913 2.923 1.00 34.33 H new ATOM 0 HB2 ARG A 31 -2.212 2.945 4.439 1.00 50.41 H new ATOM 0 HB3 ARG A 31 -0.510 2.607 4.188 1.00 50.41 H new ATOM 0 HG2 ARG A 31 0.167 4.568 5.420 1.00 30.12 H new ATOM 0 HG3 ARG A 31 -1.454 5.234 5.404 1.00 30.12 H new ATOM 0 HD2 ARG A 31 -2.252 3.209 6.713 1.00 22.23 H new ATOM 0 HD3 ARG A 31 -0.595 2.647 6.799 1.00 22.23 H new ATOM 0 HE ARG A 31 -0.077 4.737 8.104 1.00 21.44 H new ATOM 0 HH11 ARG A 31 -3.536 3.863 7.919 1.00 61.45 H new ATOM 0 HH12 ARG A 31 -3.866 4.518 9.527 1.00 61.45 H new ATOM 0 HH21 ARG A 31 -0.573 5.409 10.218 1.00 70.24 H new ATOM 0 HH22 ARG A 31 -2.247 5.362 10.781 1.00 70.24 H new ATOM 463 N LEU A 32 1.058 4.031 2.237 1.00 12.02 N ATOM 464 CA LEU A 32 2.434 4.480 1.996 1.00 42.21 C ATOM 465 C LEU A 32 2.530 5.240 0.672 1.00 43.03 C ATOM 466 O LEU A 32 3.285 6.195 0.533 1.00 25.50 O ATOM 467 CB LEU A 32 3.366 3.256 1.902 1.00 73.53 C ATOM 468 CG LEU A 32 3.271 2.228 3.040 1.00 3.34 C ATOM 469 CD1 LEU A 32 3.642 0.839 2.547 1.00 13.04 C ATOM 470 CD2 LEU A 32 4.114 2.551 4.264 1.00 72.21 C ATOM 0 H LEU A 32 0.984 3.014 2.229 1.00 12.02 H new ATOM 0 HA LEU A 32 2.726 5.132 2.819 1.00 42.21 H new ATOM 0 HB2 LEU A 32 3.161 2.743 0.962 1.00 73.53 H new ATOM 0 HB3 LEU A 32 4.394 3.614 1.852 1.00 73.53 H new ATOM 0 HG LEU A 32 2.228 2.267 3.355 1.00 3.34 H new ATOM 0 HD11 LEU A 32 3.567 0.129 3.370 1.00 13.04 H new ATOM 0 HD12 LEU A 32 2.961 0.542 1.749 1.00 13.04 H new ATOM 0 HD13 LEU A 32 4.664 0.848 2.168 1.00 13.04 H new ATOM 0 HD21 LEU A 32 3.982 1.770 5.013 1.00 72.21 H new ATOM 0 HD22 LEU A 32 5.164 2.606 3.978 1.00 72.21 H new ATOM 0 HD23 LEU A 32 3.800 3.509 4.679 1.00 72.21 H new ATOM 481 N LEU A 33 1.781 4.788 -0.332 1.00 61.43 N ATOM 482 CA LEU A 33 1.729 5.418 -1.640 1.00 70.31 C ATOM 483 C LEU A 33 0.924 6.729 -1.618 1.00 12.32 C ATOM 484 O LEU A 33 1.332 7.729 -2.205 1.00 33.40 O ATOM 485 CB LEU A 33 1.102 4.406 -2.602 1.00 51.14 C ATOM 486 CG LEU A 33 1.535 4.686 -4.051 1.00 34.31 C ATOM 487 CD1 LEU A 33 2.571 3.658 -4.506 1.00 53.12 C ATOM 488 CD2 LEU A 33 0.331 4.557 -4.956 1.00 23.32 C ATOM 0 H LEU A 33 1.187 3.963 -0.254 1.00 61.43 H new ATOM 0 HA LEU A 33 2.735 5.690 -1.961 1.00 70.31 H new ATOM 0 HB2 LEU A 33 1.399 3.396 -2.318 1.00 51.14 H new ATOM 0 HB3 LEU A 33 0.016 4.452 -2.527 1.00 51.14 H new ATOM 0 HG LEU A 33 1.962 5.688 -4.100 1.00 34.31 H new ATOM 0 HD11 LEU A 33 2.867 3.870 -5.533 1.00 53.12 H new ATOM 0 HD12 LEU A 33 3.446 3.712 -3.858 1.00 53.12 H new ATOM 0 HD13 LEU A 33 2.140 2.658 -4.452 1.00 53.12 H new ATOM 0 HD21 LEU A 33 0.628 4.754 -5.986 1.00 23.32 H new ATOM 0 HD22 LEU A 33 -0.074 3.548 -4.881 1.00 23.32 H new ATOM 0 HD23 LEU A 33 -0.430 5.276 -4.654 1.00 23.32 H new ATOM 499 N GLY A 34 -0.224 6.746 -0.933 1.00 23.44 N ATOM 500 CA GLY A 34 -1.115 7.891 -0.875 1.00 45.23 C ATOM 501 C GLY A 34 -0.518 9.046 -0.080 1.00 24.42 C ATOM 502 O GLY A 34 -0.786 10.196 -0.410 1.00 72.53 O ATOM 0 H GLY A 34 -0.559 5.946 -0.396 1.00 23.44 H new ATOM 0 HA2 GLY A 34 -1.339 8.227 -1.888 1.00 45.23 H new ATOM 0 HA3 GLY A 34 -2.060 7.591 -0.422 1.00 45.23 H new ATOM 506 N GLU A 35 0.261 8.780 0.971 1.00 52.02 N ATOM 507 CA GLU A 35 0.959 9.827 1.724 1.00 65.32 C ATOM 508 C GLU A 35 2.002 10.513 0.848 1.00 51.43 C ATOM 509 O GLU A 35 2.025 11.741 0.798 1.00 53.15 O ATOM 510 CB GLU A 35 1.507 9.324 3.076 1.00 31.51 C ATOM 511 CG GLU A 35 2.174 7.943 3.078 1.00 71.33 C ATOM 512 CD GLU A 35 3.665 7.904 3.427 1.00 74.21 C ATOM 513 OE1 GLU A 35 4.502 8.527 2.736 1.00 32.50 O ATOM 514 OE2 GLU A 35 4.003 7.178 4.392 1.00 51.03 O ATOM 0 H GLU A 35 0.426 7.837 1.324 1.00 52.02 H new ATOM 0 HA GLU A 35 0.231 10.590 1.998 1.00 65.32 H new ATOM 0 HB2 GLU A 35 2.231 10.052 3.442 1.00 31.51 H new ATOM 0 HB3 GLU A 35 0.684 9.306 3.791 1.00 31.51 H new ATOM 0 HG2 GLU A 35 1.641 7.308 3.786 1.00 71.33 H new ATOM 0 HG3 GLU A 35 2.043 7.500 2.091 1.00 71.33 H new ATOM 519 N TRP A 36 2.778 9.744 0.085 1.00 24.21 N ATOM 520 CA TRP A 36 3.702 10.298 -0.904 1.00 62.34 C ATOM 521 C TRP A 36 2.949 11.207 -1.882 1.00 44.35 C ATOM 522 O TRP A 36 3.270 12.389 -2.017 1.00 13.21 O ATOM 523 CB TRP A 36 4.412 9.163 -1.652 1.00 64.42 C ATOM 524 CG TRP A 36 5.227 9.624 -2.818 1.00 45.11 C ATOM 525 CD1 TRP A 36 6.337 10.391 -2.750 1.00 11.01 C ATOM 526 CD2 TRP A 36 4.975 9.435 -4.239 1.00 24.51 C ATOM 527 NE1 TRP A 36 6.884 10.543 -4.003 1.00 33.40 N ATOM 528 CE2 TRP A 36 6.090 9.958 -4.961 1.00 3.23 C ATOM 529 CE3 TRP A 36 3.935 8.842 -4.991 1.00 70.35 C ATOM 530 CZ2 TRP A 36 6.198 9.858 -6.351 1.00 30.22 C ATOM 531 CZ3 TRP A 36 4.006 8.797 -6.397 1.00 22.22 C ATOM 532 CH2 TRP A 36 5.132 9.301 -7.072 1.00 24.34 C ATOM 0 H TRP A 36 2.784 8.725 0.134 1.00 24.21 H new ATOM 0 HA TRP A 36 4.454 10.898 -0.392 1.00 62.34 H new ATOM 0 HB2 TRP A 36 5.060 8.631 -0.955 1.00 64.42 H new ATOM 0 HB3 TRP A 36 3.666 8.449 -2.002 1.00 64.42 H new ATOM 0 HD1 TRP A 36 6.737 10.822 -1.844 1.00 11.01 H new ATOM 0 HE1 TRP A 36 7.762 11.025 -4.196 1.00 33.40 H new ATOM 0 HE3 TRP A 36 3.080 8.420 -4.484 1.00 70.35 H new ATOM 0 HZ2 TRP A 36 7.086 10.203 -6.860 1.00 30.22 H new ATOM 0 HZ3 TRP A 36 3.189 8.372 -6.961 1.00 22.22 H new ATOM 0 HH2 TRP A 36 5.176 9.259 -8.150 1.00 24.34 H new ATOM 542 N ALA A 37 1.903 10.678 -2.531 1.00 45.03 N ATOM 543 CA ALA A 37 1.104 11.440 -3.480 1.00 3.13 C ATOM 544 C ALA A 37 0.495 12.700 -2.846 1.00 13.13 C ATOM 545 O ALA A 37 0.512 13.747 -3.484 1.00 63.53 O ATOM 546 CB ALA A 37 0.047 10.521 -4.092 1.00 24.20 C ATOM 0 H ALA A 37 1.594 9.714 -2.409 1.00 45.03 H new ATOM 0 HA ALA A 37 1.751 11.806 -4.277 1.00 3.13 H new ATOM 0 HB1 ALA A 37 -0.556 11.084 -4.804 1.00 24.20 H new ATOM 0 HB2 ALA A 37 0.537 9.694 -4.606 1.00 24.20 H new ATOM 0 HB3 ALA A 37 -0.595 10.129 -3.303 1.00 24.20 H new ATOM 552 N ALA A 38 0.018 12.657 -1.598 1.00 42.23 N ATOM 553 CA ALA A 38 -0.502 13.833 -0.898 1.00 30.43 C ATOM 554 C ALA A 38 0.545 14.955 -0.867 1.00 33.14 C ATOM 555 O ALA A 38 0.230 16.120 -1.138 1.00 51.45 O ATOM 556 CB ALA A 38 -0.907 13.448 0.526 1.00 24.20 C ATOM 0 H ALA A 38 -0.018 11.801 -1.044 1.00 42.23 H new ATOM 0 HA ALA A 38 -1.377 14.200 -1.434 1.00 30.43 H new ATOM 0 HB1 ALA A 38 -1.294 14.326 1.044 1.00 24.20 H new ATOM 0 HB2 ALA A 38 -1.679 12.679 0.489 1.00 24.20 H new ATOM 0 HB3 ALA A 38 -0.038 13.065 1.060 1.00 24.20 H new ATOM 562 N GLY A 39 1.803 14.585 -0.603 1.00 61.32 N ATOM 563 CA GLY A 39 2.961 15.462 -0.671 1.00 32.41 C ATOM 564 C GLY A 39 3.091 16.173 -2.015 1.00 14.22 C ATOM 565 O GLY A 39 3.477 17.344 -2.061 1.00 24.50 O ATOM 0 H GLY A 39 2.043 13.633 -0.327 1.00 61.32 H new ATOM 0 HA2 GLY A 39 2.894 16.206 0.123 1.00 32.41 H new ATOM 0 HA3 GLY A 39 3.863 14.879 -0.486 1.00 32.41 H new ATOM 569 N LEU A 40 2.776 15.481 -3.107 1.00 74.22 N ATOM 570 CA LEU A 40 2.997 15.928 -4.476 1.00 62.55 C ATOM 571 C LEU A 40 1.916 16.864 -4.978 1.00 71.25 C ATOM 572 O LEU A 40 2.231 17.856 -5.634 1.00 34.10 O ATOM 573 CB LEU A 40 3.047 14.711 -5.399 1.00 23.50 C ATOM 574 CG LEU A 40 4.285 13.852 -5.152 1.00 43.22 C ATOM 575 CD1 LEU A 40 4.183 12.628 -6.048 1.00 12.11 C ATOM 576 CD2 LEU A 40 5.554 14.620 -5.510 1.00 51.03 C ATOM 0 H LEU A 40 2.343 14.559 -3.059 1.00 74.22 H new ATOM 0 HA LEU A 40 3.939 16.477 -4.481 1.00 62.55 H new ATOM 0 HB2 LEU A 40 2.152 14.107 -5.250 1.00 23.50 H new ATOM 0 HB3 LEU A 40 3.038 15.043 -6.437 1.00 23.50 H new ATOM 0 HG LEU A 40 4.334 13.574 -4.099 1.00 43.22 H new ATOM 0 HD11 LEU A 40 5.055 11.992 -5.895 1.00 12.11 H new ATOM 0 HD12 LEU A 40 3.279 12.071 -5.801 1.00 12.11 H new ATOM 0 HD13 LEU A 40 4.142 12.943 -7.091 1.00 12.11 H new ATOM 0 HD21 LEU A 40 6.424 13.990 -5.327 1.00 51.03 H new ATOM 0 HD22 LEU A 40 5.525 14.901 -6.563 1.00 51.03 H new ATOM 0 HD23 LEU A 40 5.621 15.519 -4.897 1.00 51.03 H new ATOM 587 N LEU A 41 0.649 16.571 -4.670 1.00 70.54 N ATOM 588 CA LEU A 41 -0.438 17.511 -4.942 1.00 45.41 C ATOM 589 C LEU A 41 -0.152 18.820 -4.217 1.00 23.13 C ATOM 590 O LEU A 41 -0.455 19.901 -4.724 1.00 53.01 O ATOM 591 CB LEU A 41 -1.798 16.970 -4.487 1.00 44.25 C ATOM 592 CG LEU A 41 -2.441 15.887 -5.366 1.00 54.35 C ATOM 593 CD1 LEU A 41 -2.532 16.262 -6.842 1.00 52.35 C ATOM 594 CD2 LEU A 41 -1.804 14.518 -5.210 1.00 11.14 C ATOM 0 H LEU A 41 0.354 15.697 -4.235 1.00 70.54 H new ATOM 0 HA LEU A 41 -0.487 17.664 -6.020 1.00 45.41 H new ATOM 0 HB2 LEU A 41 -1.684 16.567 -3.480 1.00 44.25 H new ATOM 0 HB3 LEU A 41 -2.492 17.808 -4.418 1.00 44.25 H new ATOM 0 HG LEU A 41 -3.460 15.823 -4.983 1.00 54.35 H new ATOM 0 HD11 LEU A 41 -2.997 15.447 -7.396 1.00 52.35 H new ATOM 0 HD12 LEU A 41 -3.133 17.165 -6.952 1.00 52.35 H new ATOM 0 HD13 LEU A 41 -1.531 16.443 -7.234 1.00 52.35 H new ATOM 0 HD21 LEU A 41 -2.310 13.805 -5.861 1.00 11.14 H new ATOM 0 HD22 LEU A 41 -0.750 14.574 -5.483 1.00 11.14 H new ATOM 0 HD23 LEU A 41 -1.894 14.191 -4.174 1.00 11.14 H new ATOM 605 N GLY A 42 0.458 18.703 -3.039 1.00 24.32 N ATOM 606 CA GLY A 42 0.749 19.808 -2.148 1.00 25.20 C ATOM 607 C GLY A 42 -0.435 19.989 -1.219 1.00 12.31 C ATOM 608 O GLY A 42 -0.957 21.096 -1.080 1.00 23.14 O ATOM 0 H GLY A 42 0.771 17.804 -2.673 1.00 24.32 H new ATOM 0 HA2 GLY A 42 1.655 19.607 -1.576 1.00 25.20 H new ATOM 0 HA3 GLY A 42 0.928 20.720 -2.718 1.00 25.20 H new ATOM 612 N LYS A 43 -0.893 18.884 -0.627 1.00 44.11 N ATOM 613 CA LYS A 43 -1.712 18.946 0.568 1.00 25.52 C ATOM 614 C LYS A 43 -0.780 19.227 1.746 1.00 21.44 C ATOM 615 O LYS A 43 0.430 19.009 1.653 1.00 64.14 O ATOM 616 CB LYS A 43 -2.434 17.616 0.789 1.00 72.13 C ATOM 617 CG LYS A 43 -3.224 17.052 -0.399 1.00 13.13 C ATOM 618 CD LYS A 43 -4.330 17.961 -0.945 1.00 10.43 C ATOM 619 CE LYS A 43 -5.054 17.240 -2.084 1.00 31.40 C ATOM 620 NZ LYS A 43 -6.311 17.907 -2.475 1.00 42.04 N ATOM 0 H LYS A 43 -0.706 17.939 -0.962 1.00 44.11 H new ATOM 0 HA LYS A 43 -2.466 19.727 0.470 1.00 25.52 H new ATOM 0 HB2 LYS A 43 -1.694 16.874 1.088 1.00 72.13 H new ATOM 0 HB3 LYS A 43 -3.121 17.737 1.627 1.00 72.13 H new ATOM 0 HG2 LYS A 43 -2.526 16.833 -1.207 1.00 13.13 H new ATOM 0 HG3 LYS A 43 -3.671 16.104 -0.099 1.00 13.13 H new ATOM 0 HD2 LYS A 43 -5.034 18.214 -0.152 1.00 10.43 H new ATOM 0 HD3 LYS A 43 -3.904 18.898 -1.304 1.00 10.43 H new ATOM 0 HE2 LYS A 43 -4.394 17.183 -2.949 1.00 31.40 H new ATOM 0 HE3 LYS A 43 -5.271 16.216 -1.780 1.00 31.40 H new ATOM 0 HZ1 LYS A 43 -6.759 17.377 -3.249 1.00 42.04 H new ATOM 0 HZ2 LYS A 43 -6.955 17.939 -1.659 1.00 42.04 H new ATOM 0 HZ3 LYS A 43 -6.106 18.876 -2.792 1.00 42.04 H new ATOM 630 N THR A 44 -1.331 19.624 2.877 1.00 44.45 N ATOM 631 CA THR A 44 -0.628 19.878 4.125 1.00 42.42 C ATOM 632 C THR A 44 -1.573 19.472 5.262 1.00 4.34 C ATOM 633 O THR A 44 -2.706 19.055 5.012 1.00 5.20 O ATOM 634 CB THR A 44 -0.220 21.371 4.213 1.00 70.22 C ATOM 635 OG1 THR A 44 -1.318 22.222 3.933 1.00 23.32 O ATOM 636 CG2 THR A 44 0.905 21.747 3.247 1.00 22.44 C ATOM 0 H THR A 44 -2.335 19.787 2.957 1.00 44.45 H new ATOM 0 HA THR A 44 0.294 19.301 4.191 1.00 42.42 H new ATOM 0 HB THR A 44 0.130 21.506 5.237 1.00 70.22 H new ATOM 0 HG1 THR A 44 -1.032 23.157 3.998 1.00 23.32 H new ATOM 0 HG21 THR A 44 1.143 22.805 3.359 1.00 22.44 H new ATOM 0 HG22 THR A 44 1.790 21.151 3.469 1.00 22.44 H new ATOM 0 HG23 THR A 44 0.585 21.554 2.223 1.00 22.44 H new ATOM 644 N GLY A 45 -1.133 19.616 6.510 1.00 51.15 N ATOM 645 CA GLY A 45 -1.968 19.657 7.687 1.00 23.34 C ATOM 646 C GLY A 45 -2.763 18.381 7.798 1.00 70.34 C ATOM 647 O GLY A 45 -2.181 17.321 8.036 1.00 53.14 O ATOM 0 H GLY A 45 -0.141 19.711 6.728 1.00 51.15 H new ATOM 0 HA2 GLY A 45 -1.352 19.790 8.576 1.00 23.34 H new ATOM 0 HA3 GLY A 45 -2.642 20.512 7.636 1.00 23.34 H new ATOM 651 N ASP A 46 -4.073 18.488 7.578 1.00 13.42 N ATOM 652 CA ASP A 46 -4.961 17.340 7.586 1.00 34.13 C ATOM 653 C ASP A 46 -5.550 17.055 6.207 1.00 45.44 C ATOM 654 O ASP A 46 -6.108 15.990 5.969 1.00 53.31 O ATOM 655 CB ASP A 46 -6.068 17.541 8.623 1.00 3.12 C ATOM 656 CG ASP A 46 -6.413 16.218 9.287 1.00 62.25 C ATOM 657 OD1 ASP A 46 -7.286 15.484 8.770 1.00 44.43 O ATOM 658 OD2 ASP A 46 -5.787 15.944 10.332 1.00 30.31 O ATOM 0 H ASP A 46 -4.542 19.374 7.390 1.00 13.42 H new ATOM 0 HA ASP A 46 -4.370 16.466 7.861 1.00 34.13 H new ATOM 0 HB2 ASP A 46 -5.745 18.260 9.375 1.00 3.12 H new ATOM 0 HB3 ASP A 46 -6.954 17.957 8.144 1.00 3.12 H new ATOM 662 N ASP A 47 -5.390 17.961 5.242 1.00 23.10 N ATOM 663 CA ASP A 47 -5.766 17.732 3.844 1.00 11.30 C ATOM 664 C ASP A 47 -5.008 16.524 3.289 1.00 43.33 C ATOM 665 O ASP A 47 -5.500 15.759 2.458 1.00 43.05 O ATOM 666 CB ASP A 47 -5.384 18.961 3.013 1.00 45.34 C ATOM 667 CG ASP A 47 -6.375 20.118 3.154 1.00 30.31 C ATOM 668 OD1 ASP A 47 -7.531 20.007 2.682 1.00 72.23 O ATOM 669 OD2 ASP A 47 -5.993 21.187 3.675 1.00 43.11 O ATOM 0 H ASP A 47 -4.992 18.885 5.409 1.00 23.10 H new ATOM 0 HA ASP A 47 -6.840 17.551 3.792 1.00 11.30 H new ATOM 0 HB2 ASP A 47 -4.393 19.301 3.314 1.00 45.34 H new ATOM 0 HB3 ASP A 47 -5.317 18.675 1.963 1.00 45.34 H new ATOM 673 N ALA A 48 -3.775 16.363 3.763 1.00 70.34 N ATOM 674 CA ALA A 48 -2.850 15.332 3.356 1.00 73.54 C ATOM 675 C ALA A 48 -3.285 13.976 3.892 1.00 62.35 C ATOM 676 O ALA A 48 -3.012 12.939 3.278 1.00 23.52 O ATOM 677 CB ALA A 48 -1.484 15.719 3.914 1.00 23.31 C ATOM 0 H ALA A 48 -3.385 16.981 4.474 1.00 70.34 H new ATOM 0 HA ALA A 48 -2.816 15.249 2.270 1.00 73.54 H new ATOM 0 HB1 ALA A 48 -0.749 14.966 3.631 1.00 23.31 H new ATOM 0 HB2 ALA A 48 -1.187 16.687 3.510 1.00 23.31 H new ATOM 0 HB3 ALA A 48 -1.539 15.781 5.001 1.00 23.31 H new ATOM 683 N ARG A 49 -3.978 13.970 5.036 1.00 42.02 N ATOM 684 CA ARG A 49 -4.535 12.752 5.580 1.00 34.14 C ATOM 685 C ARG A 49 -5.606 12.260 4.623 1.00 52.05 C ATOM 686 O ARG A 49 -5.443 11.176 4.068 1.00 3.01 O ATOM 687 CB ARG A 49 -5.063 12.962 7.004 1.00 22.51 C ATOM 688 CG ARG A 49 -3.927 13.181 8.004 1.00 13.02 C ATOM 689 CD ARG A 49 -4.451 13.022 9.431 1.00 64.53 C ATOM 690 NE ARG A 49 -3.374 13.200 10.415 1.00 74.33 N ATOM 691 CZ ARG A 49 -3.500 13.674 11.656 1.00 52.42 C ATOM 692 NH1 ARG A 49 -4.634 14.218 12.079 1.00 73.24 N ATOM 693 NH2 ARG A 49 -2.466 13.596 12.482 1.00 54.31 N ATOM 0 H ARG A 49 -4.160 14.803 5.595 1.00 42.02 H new ATOM 0 HA ARG A 49 -3.762 11.989 5.671 1.00 34.14 H new ATOM 0 HB2 ARG A 49 -5.733 13.822 7.020 1.00 22.51 H new ATOM 0 HB3 ARG A 49 -5.651 12.095 7.305 1.00 22.51 H new ATOM 0 HG2 ARG A 49 -3.126 12.465 7.820 1.00 13.02 H new ATOM 0 HG3 ARG A 49 -3.502 14.176 7.872 1.00 13.02 H new ATOM 0 HD2 ARG A 49 -5.240 13.751 9.615 1.00 64.53 H new ATOM 0 HD3 ARG A 49 -4.896 12.034 9.550 1.00 64.53 H new ATOM 0 HE ARG A 49 -2.435 12.934 10.119 1.00 74.33 H new ATOM 0 HH11 ARG A 49 -5.435 14.281 11.451 1.00 73.24 H new ATOM 0 HH12 ARG A 49 -4.705 14.573 13.033 1.00 73.24 H new ATOM 0 HH21 ARG A 49 -1.591 13.178 12.166 1.00 54.31 H new ATOM 0 HH22 ARG A 49 -2.546 13.954 13.434 1.00 54.31 H new ATOM 704 N ALA A 50 -6.646 13.065 4.387 1.00 13.04 N ATOM 705 CA ALA A 50 -7.762 12.728 3.511 1.00 1.21 C ATOM 706 C ALA A 50 -7.295 12.152 2.174 1.00 43.15 C ATOM 707 O ALA A 50 -7.859 11.157 1.716 1.00 42.43 O ATOM 708 CB ALA A 50 -8.634 13.968 3.297 1.00 63.41 C ATOM 0 H ALA A 50 -6.733 13.989 4.811 1.00 13.04 H new ATOM 0 HA ALA A 50 -8.350 11.949 3.996 1.00 1.21 H new ATOM 0 HB1 ALA A 50 -9.469 13.717 2.642 1.00 63.41 H new ATOM 0 HB2 ALA A 50 -9.017 14.314 4.257 1.00 63.41 H new ATOM 0 HB3 ALA A 50 -8.038 14.757 2.839 1.00 63.41 H new ATOM 714 N TYR A 51 -6.273 12.740 1.545 1.00 64.55 N ATOM 715 CA TYR A 51 -5.760 12.249 0.273 1.00 32.10 C ATOM 716 C TYR A 51 -5.245 10.799 0.379 1.00 70.45 C ATOM 717 O TYR A 51 -5.576 9.944 -0.450 1.00 5.24 O ATOM 718 CB TYR A 51 -4.693 13.216 -0.259 1.00 54.05 C ATOM 719 CG TYR A 51 -4.260 12.846 -1.661 1.00 10.30 C ATOM 720 CD1 TYR A 51 -3.403 11.749 -1.856 1.00 25.51 C ATOM 721 CD2 TYR A 51 -4.828 13.496 -2.771 1.00 51.05 C ATOM 722 CE1 TYR A 51 -3.194 11.239 -3.144 1.00 54.05 C ATOM 723 CE2 TYR A 51 -4.575 13.032 -4.071 1.00 62.21 C ATOM 724 CZ TYR A 51 -3.781 11.881 -4.256 1.00 33.12 C ATOM 725 OH TYR A 51 -3.602 11.373 -5.501 1.00 53.41 O ATOM 0 H TYR A 51 -5.785 13.561 1.903 1.00 64.55 H new ATOM 0 HA TYR A 51 -6.578 12.217 -0.447 1.00 32.10 H new ATOM 0 HB2 TYR A 51 -5.087 14.232 -0.255 1.00 54.05 H new ATOM 0 HB3 TYR A 51 -3.828 13.207 0.405 1.00 54.05 H new ATOM 0 HD1 TYR A 51 -2.904 11.298 -1.011 1.00 25.51 H new ATOM 0 HD2 TYR A 51 -5.463 14.357 -2.622 1.00 51.05 H new ATOM 0 HE1 TYR A 51 -2.586 10.358 -3.286 1.00 54.05 H new ATOM 0 HE2 TYR A 51 -4.985 13.552 -4.924 1.00 62.21 H new ATOM 0 HH TYR A 51 -4.262 11.763 -6.112 1.00 53.41 H new ATOM 734 N ALA A 52 -4.413 10.472 1.372 1.00 24.10 N ATOM 735 CA ALA A 52 -3.937 9.100 1.552 1.00 30.51 C ATOM 736 C ALA A 52 -5.049 8.166 2.045 1.00 74.12 C ATOM 737 O ALA A 52 -4.909 6.944 1.962 1.00 24.34 O ATOM 738 CB ALA A 52 -2.759 9.067 2.530 1.00 64.53 C ATOM 0 H ALA A 52 -4.057 11.136 2.060 1.00 24.10 H new ATOM 0 HA ALA A 52 -3.609 8.742 0.576 1.00 30.51 H new ATOM 0 HB1 ALA A 52 -2.417 8.039 2.653 1.00 64.53 H new ATOM 0 HB2 ALA A 52 -1.944 9.676 2.139 1.00 64.53 H new ATOM 0 HB3 ALA A 52 -3.076 9.462 3.495 1.00 64.53 H new ATOM 744 N LEU A 53 -6.137 8.710 2.588 1.00 33.22 N ATOM 745 CA LEU A 53 -7.205 7.989 3.276 1.00 34.32 C ATOM 746 C LEU A 53 -8.484 8.001 2.429 1.00 25.21 C ATOM 747 O LEU A 53 -9.587 8.094 2.969 1.00 33.42 O ATOM 748 CB LEU A 53 -7.375 8.579 4.692 1.00 12.20 C ATOM 749 CG LEU A 53 -6.269 8.089 5.651 1.00 41.12 C ATOM 750 CD1 LEU A 53 -5.883 9.127 6.705 1.00 11.34 C ATOM 751 CD2 LEU A 53 -6.725 6.811 6.358 1.00 14.20 C ATOM 0 H LEU A 53 -6.305 9.716 2.558 1.00 33.22 H new ATOM 0 HA LEU A 53 -6.952 6.936 3.402 1.00 34.32 H new ATOM 0 HB2 LEU A 53 -7.354 9.667 4.638 1.00 12.20 H new ATOM 0 HB3 LEU A 53 -8.351 8.299 5.088 1.00 12.20 H new ATOM 0 HG LEU A 53 -5.387 7.903 5.038 1.00 41.12 H new ATOM 0 HD11 LEU A 53 -5.101 8.720 7.347 1.00 11.34 H new ATOM 0 HD12 LEU A 53 -5.516 10.027 6.212 1.00 11.34 H new ATOM 0 HD13 LEU A 53 -6.756 9.374 7.309 1.00 11.34 H new ATOM 0 HD21 LEU A 53 -5.941 6.469 7.034 1.00 14.20 H new ATOM 0 HD22 LEU A 53 -7.632 7.014 6.928 1.00 14.20 H new ATOM 0 HD23 LEU A 53 -6.928 6.038 5.617 1.00 14.20 H new ATOM 762 N THR A 54 -8.337 7.901 1.103 1.00 74.14 N ATOM 763 CA THR A 54 -9.448 7.669 0.183 1.00 11.03 C ATOM 764 C THR A 54 -9.139 6.564 -0.831 1.00 4.22 C ATOM 765 O THR A 54 -10.050 5.859 -1.257 1.00 12.33 O ATOM 766 CB THR A 54 -9.899 9.001 -0.441 1.00 32.52 C ATOM 767 OG1 THR A 54 -11.114 8.836 -1.136 1.00 65.53 O ATOM 768 CG2 THR A 54 -8.876 9.655 -1.371 1.00 31.43 C ATOM 0 H THR A 54 -7.433 7.980 0.637 1.00 74.14 H new ATOM 0 HA THR A 54 -10.301 7.283 0.741 1.00 11.03 H new ATOM 0 HB THR A 54 -10.021 9.677 0.406 1.00 32.52 H new ATOM 0 HG1 THR A 54 -11.387 9.693 -1.525 1.00 65.53 H new ATOM 0 HG21 THR A 54 -9.283 10.587 -1.762 1.00 31.43 H new ATOM 0 HG22 THR A 54 -7.961 9.863 -0.816 1.00 31.43 H new ATOM 0 HG23 THR A 54 -8.654 8.981 -2.198 1.00 31.43 H new ATOM 776 N VAL A 55 -7.864 6.310 -1.142 1.00 1.10 N ATOM 777 CA VAL A 55 -7.478 5.163 -1.962 1.00 41.13 C ATOM 778 C VAL A 55 -7.633 3.835 -1.198 1.00 45.44 C ATOM 779 O VAL A 55 -7.429 2.763 -1.743 1.00 72.52 O ATOM 780 CB VAL A 55 -6.061 5.407 -2.504 1.00 51.11 C ATOM 781 CG1 VAL A 55 -4.989 5.407 -1.399 1.00 41.21 C ATOM 782 CG2 VAL A 55 -5.710 4.401 -3.598 1.00 62.31 C ATOM 0 H VAL A 55 -7.081 6.887 -0.836 1.00 1.10 H new ATOM 0 HA VAL A 55 -8.152 5.065 -2.813 1.00 41.13 H new ATOM 0 HB VAL A 55 -6.066 6.407 -2.937 1.00 51.11 H new ATOM 0 HG11 VAL A 55 -4.009 5.584 -1.843 1.00 41.21 H new ATOM 0 HG12 VAL A 55 -5.209 6.195 -0.679 1.00 41.21 H new ATOM 0 HG13 VAL A 55 -4.989 4.442 -0.892 1.00 41.21 H new ATOM 0 HG21 VAL A 55 -4.702 4.597 -3.963 1.00 62.31 H new ATOM 0 HG22 VAL A 55 -5.759 3.391 -3.192 1.00 62.31 H new ATOM 0 HG23 VAL A 55 -6.419 4.496 -4.421 1.00 62.31 H new ATOM 792 N VAL A 56 -7.997 3.884 0.080 1.00 63.41 N ATOM 793 CA VAL A 56 -8.324 2.725 0.886 1.00 51.35 C ATOM 794 C VAL A 56 -9.640 3.060 1.577 1.00 71.12 C ATOM 795 O VAL A 56 -9.644 3.671 2.643 1.00 10.31 O ATOM 796 CB VAL A 56 -7.134 2.333 1.794 1.00 31.20 C ATOM 797 CG1 VAL A 56 -6.441 3.502 2.519 1.00 70.22 C ATOM 798 CG2 VAL A 56 -7.531 1.267 2.823 1.00 63.52 C ATOM 0 H VAL A 56 -8.073 4.762 0.594 1.00 63.41 H new ATOM 0 HA VAL A 56 -8.480 1.813 0.310 1.00 51.35 H new ATOM 0 HB VAL A 56 -6.403 1.932 1.092 1.00 31.20 H new ATOM 0 HG11 VAL A 56 -5.622 3.118 3.128 1.00 70.22 H new ATOM 0 HG12 VAL A 56 -6.048 4.205 1.784 1.00 70.22 H new ATOM 0 HG13 VAL A 56 -7.161 4.011 3.159 1.00 70.22 H new ATOM 0 HG21 VAL A 56 -6.668 1.019 3.441 1.00 63.52 H new ATOM 0 HG22 VAL A 56 -8.332 1.652 3.455 1.00 63.52 H new ATOM 0 HG23 VAL A 56 -7.876 0.372 2.305 1.00 63.52 H new ATOM 808 N THR A 57 -10.756 2.738 0.924 1.00 70.44 N ATOM 809 CA THR A 57 -12.083 2.680 1.533 1.00 25.30 C ATOM 810 C THR A 57 -13.065 1.971 0.588 1.00 73.23 C ATOM 811 O THR A 57 -13.964 1.287 1.074 1.00 61.31 O ATOM 812 CB THR A 57 -12.577 4.091 1.952 1.00 73.32 C ATOM 813 OG1 THR A 57 -13.759 4.045 2.722 1.00 33.20 O ATOM 814 CG2 THR A 57 -12.846 5.038 0.788 1.00 64.44 C ATOM 0 H THR A 57 -10.762 2.504 -0.069 1.00 70.44 H new ATOM 0 HA THR A 57 -12.024 2.094 2.450 1.00 25.30 H new ATOM 0 HB THR A 57 -11.742 4.475 2.538 1.00 73.32 H new ATOM 0 HG1 THR A 57 -14.029 4.956 2.962 1.00 33.20 H new ATOM 0 HG21 THR A 57 -13.187 5.999 1.172 1.00 64.44 H new ATOM 0 HG22 THR A 57 -11.929 5.180 0.216 1.00 64.44 H new ATOM 0 HG23 THR A 57 -13.614 4.612 0.143 1.00 64.44 H new ATOM 822 N SER A 58 -12.901 2.095 -0.733 1.00 63.13 N ATOM 823 CA SER A 58 -13.985 1.924 -1.700 1.00 71.43 C ATOM 824 C SER A 58 -13.699 0.909 -2.812 1.00 33.41 C ATOM 825 O SER A 58 -14.639 0.552 -3.523 1.00 61.41 O ATOM 826 CB SER A 58 -14.341 3.298 -2.307 1.00 62.33 C ATOM 827 OG SER A 58 -13.224 4.177 -2.430 1.00 31.23 O ATOM 0 H SER A 58 -12.003 2.319 -1.163 1.00 63.13 H new ATOM 0 HA SER A 58 -14.827 1.508 -1.147 1.00 71.43 H new ATOM 0 HB2 SER A 58 -14.783 3.147 -3.292 1.00 62.33 H new ATOM 0 HB3 SER A 58 -15.100 3.774 -1.686 1.00 62.33 H new ATOM 0 HG SER A 58 -13.517 5.026 -2.822 1.00 31.23 H new ATOM 832 N ASP A 59 -12.458 0.449 -2.996 1.00 61.43 N ATOM 833 CA ASP A 59 -12.137 -0.469 -4.094 1.00 53.33 C ATOM 834 C ASP A 59 -12.942 -1.751 -3.894 1.00 44.22 C ATOM 835 O ASP A 59 -13.024 -2.270 -2.771 1.00 53.12 O ATOM 836 CB ASP A 59 -10.640 -0.818 -4.165 1.00 13.13 C ATOM 837 CG ASP A 59 -9.741 0.383 -4.436 1.00 30.40 C ATOM 838 OD1 ASP A 59 -9.463 0.714 -5.616 1.00 44.31 O ATOM 839 OD2 ASP A 59 -9.292 0.984 -3.438 1.00 74.21 O ATOM 0 H ASP A 59 -11.664 0.695 -2.404 1.00 61.43 H new ATOM 0 HA ASP A 59 -12.392 0.026 -5.031 1.00 53.33 H new ATOM 0 HB2 ASP A 59 -10.339 -1.281 -3.225 1.00 13.13 H new ATOM 0 HB3 ASP A 59 -10.486 -1.560 -4.949 1.00 13.13 H new ATOM 843 N PHE A 60 -13.534 -2.270 -4.967 1.00 21.03 N ATOM 844 CA PHE A 60 -14.168 -3.579 -4.955 1.00 4.22 C ATOM 845 C PHE A 60 -13.093 -4.648 -5.171 1.00 64.24 C ATOM 846 O PHE A 60 -12.735 -5.412 -4.272 1.00 61.41 O ATOM 847 CB PHE A 60 -15.239 -3.662 -6.050 1.00 44.22 C ATOM 848 CG PHE A 60 -16.475 -2.824 -5.817 1.00 51.12 C ATOM 849 CD1 PHE A 60 -17.523 -3.334 -5.027 1.00 14.42 C ATOM 850 CD2 PHE A 60 -16.622 -1.584 -6.468 1.00 13.53 C ATOM 851 CE1 PHE A 60 -18.730 -2.625 -4.924 1.00 4.32 C ATOM 852 CE2 PHE A 60 -17.830 -0.876 -6.363 1.00 72.12 C ATOM 853 CZ PHE A 60 -18.888 -1.406 -5.606 1.00 22.13 C ATOM 0 H PHE A 60 -13.586 -1.793 -5.867 1.00 21.03 H new ATOM 0 HA PHE A 60 -14.657 -3.743 -3.995 1.00 4.22 H new ATOM 0 HB2 PHE A 60 -14.790 -3.360 -6.996 1.00 44.22 H new ATOM 0 HB3 PHE A 60 -15.543 -4.703 -6.159 1.00 44.22 H new ATOM 0 HD1 PHE A 60 -17.398 -4.269 -4.501 1.00 14.42 H new ATOM 0 HD2 PHE A 60 -15.806 -1.178 -7.048 1.00 13.53 H new ATOM 0 HE1 PHE A 60 -19.537 -3.016 -4.321 1.00 4.32 H new ATOM 0 HE2 PHE A 60 -17.946 0.074 -6.863 1.00 72.12 H new ATOM 0 HZ PHE A 60 -19.827 -0.875 -5.548 1.00 22.13 H new ATOM 862 N ASP A 61 -12.587 -4.712 -6.393 1.00 73.24 N ATOM 863 CA ASP A 61 -11.844 -5.841 -6.915 1.00 3.43 C ATOM 864 C ASP A 61 -10.861 -5.257 -7.905 1.00 41.32 C ATOM 865 O ASP A 61 -11.200 -4.998 -9.062 1.00 13.51 O ATOM 866 CB ASP A 61 -12.829 -6.827 -7.544 1.00 33.22 C ATOM 867 CG ASP A 61 -12.154 -8.006 -8.237 1.00 23.11 C ATOM 868 OD1 ASP A 61 -10.915 -8.161 -8.188 1.00 43.41 O ATOM 869 OD2 ASP A 61 -12.908 -8.794 -8.865 1.00 3.32 O ATOM 0 H ASP A 61 -12.687 -3.954 -7.068 1.00 73.24 H new ATOM 0 HA ASP A 61 -11.298 -6.401 -6.156 1.00 3.43 H new ATOM 0 HB2 ASP A 61 -13.496 -7.205 -6.769 1.00 33.22 H new ATOM 0 HB3 ASP A 61 -13.448 -6.297 -8.268 1.00 33.22 H new ATOM 873 N GLU A 62 -9.693 -4.891 -7.397 1.00 24.20 N ATOM 874 CA GLU A 62 -8.647 -4.233 -8.150 1.00 44.55 C ATOM 875 C GLU A 62 -7.336 -4.603 -7.454 1.00 13.22 C ATOM 876 O GLU A 62 -6.934 -3.911 -6.513 1.00 33.34 O ATOM 877 CB GLU A 62 -8.922 -2.721 -8.205 1.00 53.11 C ATOM 878 CG GLU A 62 -7.964 -2.044 -9.193 1.00 54.41 C ATOM 879 CD GLU A 62 -8.173 -0.531 -9.242 1.00 61.32 C ATOM 880 OE1 GLU A 62 -9.313 -0.095 -9.521 1.00 50.44 O ATOM 881 OE2 GLU A 62 -7.189 0.211 -9.007 1.00 50.45 O ATOM 0 H GLU A 62 -9.444 -5.050 -6.421 1.00 24.20 H new ATOM 0 HA GLU A 62 -8.598 -4.551 -9.191 1.00 44.55 H new ATOM 0 HB2 GLU A 62 -9.954 -2.542 -8.507 1.00 53.11 H new ATOM 0 HB3 GLU A 62 -8.801 -2.286 -7.213 1.00 53.11 H new ATOM 0 HG2 GLU A 62 -6.935 -2.259 -8.906 1.00 54.41 H new ATOM 0 HG3 GLU A 62 -8.112 -2.464 -10.188 1.00 54.41 H new ATOM 886 N PRO A 63 -6.708 -5.745 -7.778 1.00 51.22 N ATOM 887 CA PRO A 63 -5.529 -6.200 -7.050 1.00 50.32 C ATOM 888 C PRO A 63 -4.296 -5.315 -7.309 1.00 50.13 C ATOM 889 O PRO A 63 -3.356 -5.337 -6.507 1.00 32.43 O ATOM 890 CB PRO A 63 -5.318 -7.650 -7.497 1.00 41.31 C ATOM 891 CG PRO A 63 -5.919 -7.680 -8.903 1.00 61.13 C ATOM 892 CD PRO A 63 -7.091 -6.702 -8.807 1.00 11.53 C ATOM 0 HA PRO A 63 -5.675 -6.133 -5.972 1.00 50.32 H new ATOM 0 HB2 PRO A 63 -4.261 -7.918 -7.506 1.00 41.31 H new ATOM 0 HB3 PRO A 63 -5.819 -8.352 -6.831 1.00 41.31 H new ATOM 0 HG2 PRO A 63 -5.196 -7.368 -9.656 1.00 61.13 H new ATOM 0 HG3 PRO A 63 -6.252 -8.681 -9.177 1.00 61.13 H new ATOM 0 HD2 PRO A 63 -7.268 -6.205 -9.761 1.00 11.53 H new ATOM 0 HD3 PRO A 63 -8.013 -7.218 -8.541 1.00 11.53 H new ATOM 897 N GLY A 64 -4.320 -4.513 -8.376 1.00 53.15 N ATOM 898 CA GLY A 64 -3.231 -3.688 -8.869 1.00 30.23 C ATOM 899 C GLY A 64 -2.925 -4.155 -10.283 1.00 65.21 C ATOM 900 O GLY A 64 -1.872 -4.746 -10.526 1.00 61.44 O ATOM 0 H GLY A 64 -5.158 -4.422 -8.951 1.00 53.15 H new ATOM 0 HA2 GLY A 64 -3.512 -2.635 -8.863 1.00 30.23 H new ATOM 0 HA3 GLY A 64 -2.353 -3.787 -8.231 1.00 30.23 H new ATOM 904 N ASP A 65 -3.861 -3.950 -11.209 1.00 13.31 N ATOM 905 CA ASP A 65 -3.771 -4.445 -12.586 1.00 22.22 C ATOM 906 C ASP A 65 -3.324 -3.276 -13.460 1.00 3.04 C ATOM 907 O ASP A 65 -4.018 -2.863 -14.382 1.00 53.31 O ATOM 908 CB ASP A 65 -5.087 -5.127 -13.027 1.00 12.22 C ATOM 909 CG ASP A 65 -5.074 -6.650 -12.847 1.00 33.32 C ATOM 910 OD1 ASP A 65 -4.214 -7.201 -12.115 1.00 3.13 O ATOM 911 OD2 ASP A 65 -5.911 -7.337 -13.466 1.00 30.04 O ATOM 0 H ASP A 65 -4.717 -3.428 -11.023 1.00 13.31 H new ATOM 0 HA ASP A 65 -3.029 -5.238 -12.684 1.00 22.22 H new ATOM 0 HB2 ASP A 65 -5.914 -4.708 -12.454 1.00 12.22 H new ATOM 0 HB3 ASP A 65 -5.275 -4.894 -14.075 1.00 12.22 H new ATOM 915 N GLU A 66 -2.167 -2.703 -13.102 1.00 62.44 N ATOM 916 CA GLU A 66 -1.465 -1.547 -13.674 1.00 50.22 C ATOM 917 C GLU A 66 -2.287 -0.254 -13.864 1.00 13.14 C ATOM 918 O GLU A 66 -1.715 0.793 -14.183 1.00 43.31 O ATOM 919 CB GLU A 66 -0.664 -1.936 -14.934 1.00 51.42 C ATOM 920 CG GLU A 66 -1.487 -2.205 -16.204 1.00 45.05 C ATOM 921 CD GLU A 66 -0.630 -2.058 -17.467 1.00 41.25 C ATOM 922 OE1 GLU A 66 -0.540 -0.930 -18.008 1.00 25.10 O ATOM 923 OE2 GLU A 66 -0.022 -3.045 -17.936 1.00 71.54 O ATOM 0 H GLU A 66 -1.641 -3.082 -12.315 1.00 62.44 H new ATOM 0 HA GLU A 66 -0.765 -1.259 -12.890 1.00 50.22 H new ATOM 0 HB2 GLU A 66 0.046 -1.138 -15.149 1.00 51.42 H new ATOM 0 HB3 GLU A 66 -0.081 -2.829 -14.708 1.00 51.42 H new ATOM 0 HG2 GLU A 66 -1.906 -3.210 -16.162 1.00 45.05 H new ATOM 0 HG3 GLU A 66 -2.327 -1.511 -16.249 1.00 45.05 H new ATOM 928 N ASP A 67 -3.597 -0.263 -13.618 1.00 54.44 N ATOM 929 CA ASP A 67 -4.493 0.869 -13.872 1.00 73.13 C ATOM 930 C ASP A 67 -4.243 1.962 -12.837 1.00 53.15 C ATOM 931 O ASP A 67 -4.377 3.153 -13.100 1.00 73.54 O ATOM 932 CB ASP A 67 -5.965 0.421 -13.854 1.00 62.25 C ATOM 933 CG ASP A 67 -6.744 1.050 -15.011 1.00 33.20 C ATOM 934 OD1 ASP A 67 -6.717 2.289 -15.187 1.00 51.31 O ATOM 935 OD2 ASP A 67 -7.318 0.278 -15.817 1.00 23.13 O ATOM 0 H ASP A 67 -4.077 -1.074 -13.228 1.00 54.44 H new ATOM 0 HA ASP A 67 -4.284 1.268 -14.865 1.00 73.13 H new ATOM 0 HB2 ASP A 67 -6.019 -0.665 -13.923 1.00 62.25 H new ATOM 0 HB3 ASP A 67 -6.423 0.704 -12.906 1.00 62.25 H new ATOM 939 N VAL A 68 -3.747 1.552 -11.674 1.00 50.43 N ATOM 940 CA VAL A 68 -3.239 2.399 -10.618 1.00 44.34 C ATOM 941 C VAL A 68 -2.173 3.373 -11.148 1.00 12.00 C ATOM 942 O VAL A 68 -2.110 4.513 -10.695 1.00 44.33 O ATOM 943 CB VAL A 68 -2.755 1.459 -9.496 1.00 73.55 C ATOM 944 CG1 VAL A 68 -1.398 0.807 -9.801 1.00 33.20 C ATOM 945 CG2 VAL A 68 -2.723 2.168 -8.136 1.00 44.32 C ATOM 0 H VAL A 68 -3.689 0.562 -11.437 1.00 50.43 H new ATOM 0 HA VAL A 68 -4.007 3.057 -10.212 1.00 44.34 H new ATOM 0 HB VAL A 68 -3.489 0.654 -9.447 1.00 73.55 H new ATOM 0 HG11 VAL A 68 -1.112 0.157 -8.974 1.00 33.20 H new ATOM 0 HG12 VAL A 68 -1.474 0.218 -10.715 1.00 33.20 H new ATOM 0 HG13 VAL A 68 -0.643 1.582 -9.931 1.00 33.20 H new ATOM 0 HG21 VAL A 68 -2.377 1.473 -7.371 1.00 44.32 H new ATOM 0 HG22 VAL A 68 -2.045 3.020 -8.186 1.00 44.32 H new ATOM 0 HG23 VAL A 68 -3.725 2.516 -7.883 1.00 44.32 H new ATOM 955 N PHE A 69 -1.338 2.987 -12.124 1.00 30.10 N ATOM 956 CA PHE A 69 -0.409 3.934 -12.744 1.00 10.11 C ATOM 957 C PHE A 69 -1.208 4.937 -13.573 1.00 32.52 C ATOM 958 O PHE A 69 -0.985 6.140 -13.461 1.00 63.54 O ATOM 959 CB PHE A 69 0.653 3.220 -13.595 1.00 54.42 C ATOM 960 CG PHE A 69 1.657 4.160 -14.241 1.00 13.00 C ATOM 961 CD1 PHE A 69 1.315 4.795 -15.450 1.00 32.41 C ATOM 962 CD2 PHE A 69 2.905 4.444 -13.641 1.00 34.10 C ATOM 963 CE1 PHE A 69 2.181 5.725 -16.041 1.00 10.31 C ATOM 964 CE2 PHE A 69 3.782 5.355 -14.250 1.00 31.34 C ATOM 965 CZ PHE A 69 3.410 6.014 -15.435 1.00 65.52 C ATOM 0 H PHE A 69 -1.289 2.038 -12.495 1.00 30.10 H new ATOM 0 HA PHE A 69 0.134 4.463 -11.961 1.00 10.11 H new ATOM 0 HB2 PHE A 69 1.188 2.507 -12.968 1.00 54.42 H new ATOM 0 HB3 PHE A 69 0.154 2.645 -14.375 1.00 54.42 H new ATOM 0 HD1 PHE A 69 0.375 4.563 -15.928 1.00 32.41 H new ATOM 0 HD2 PHE A 69 3.183 3.961 -12.716 1.00 34.10 H new ATOM 0 HE1 PHE A 69 1.901 6.217 -16.961 1.00 10.31 H new ATOM 0 HE2 PHE A 69 4.747 5.551 -13.806 1.00 31.34 H new ATOM 0 HZ PHE A 69 4.072 6.743 -15.878 1.00 65.52 H new ATOM 974 N ARG A 70 -2.159 4.467 -14.377 1.00 44.45 N ATOM 975 CA ARG A 70 -3.030 5.310 -15.194 1.00 31.13 C ATOM 976 C ARG A 70 -3.833 6.301 -14.334 1.00 42.31 C ATOM 977 O ARG A 70 -4.223 7.371 -14.809 1.00 14.12 O ATOM 978 CB ARG A 70 -3.911 4.358 -16.029 1.00 43.24 C ATOM 979 CG ARG A 70 -4.403 4.950 -17.350 1.00 1.43 C ATOM 980 CD ARG A 70 -5.618 5.866 -17.175 1.00 63.34 C ATOM 981 NE ARG A 70 -6.772 5.395 -17.946 1.00 54.13 N ATOM 982 CZ ARG A 70 -7.748 6.119 -18.493 1.00 10.33 C ATOM 983 NH1 ARG A 70 -7.807 7.444 -18.380 1.00 34.30 N ATOM 984 NH2 ARG A 70 -8.708 5.494 -19.146 1.00 54.12 N ATOM 0 H ARG A 70 -2.350 3.470 -14.481 1.00 44.45 H new ATOM 0 HA ARG A 70 -2.453 5.948 -15.863 1.00 31.13 H new ATOM 0 HB2 ARG A 70 -3.346 3.450 -16.240 1.00 43.24 H new ATOM 0 HB3 ARG A 70 -4.775 4.064 -15.432 1.00 43.24 H new ATOM 0 HG2 ARG A 70 -3.593 5.513 -17.814 1.00 1.43 H new ATOM 0 HG3 ARG A 70 -4.660 4.140 -18.032 1.00 1.43 H new ATOM 0 HD2 ARG A 70 -5.884 5.919 -16.119 1.00 63.34 H new ATOM 0 HD3 ARG A 70 -5.359 6.877 -17.490 1.00 63.34 H new ATOM 0 HE ARG A 70 -6.836 4.386 -18.081 1.00 54.13 H new ATOM 0 HH11 ARG A 70 -7.087 7.944 -17.859 1.00 34.30 H new ATOM 0 HH12 ARG A 70 -8.572 7.959 -18.815 1.00 34.30 H new ATOM 0 HH21 ARG A 70 -8.693 4.477 -19.224 1.00 54.12 H new ATOM 0 HH22 ARG A 70 -9.465 6.027 -19.573 1.00 54.12 H new ATOM 995 N LYS A 71 -4.066 5.979 -13.060 1.00 1.41 N ATOM 996 CA LYS A 71 -4.733 6.826 -12.083 1.00 13.01 C ATOM 997 C LYS A 71 -3.735 7.826 -11.519 1.00 14.23 C ATOM 998 O LYS A 71 -3.985 9.030 -11.604 1.00 2.43 O ATOM 999 CB LYS A 71 -5.402 5.977 -10.985 1.00 41.31 C ATOM 1000 CG LYS A 71 -6.397 6.884 -10.255 1.00 1.02 C ATOM 1001 CD LYS A 71 -7.070 6.261 -9.032 1.00 41.01 C ATOM 1002 CE LYS A 71 -8.209 7.167 -8.544 1.00 73.34 C ATOM 1003 NZ LYS A 71 -7.822 8.590 -8.380 1.00 32.12 N ATOM 0 H LYS A 71 -3.781 5.081 -12.669 1.00 1.41 H new ATOM 0 HA LYS A 71 -5.533 7.386 -12.567 1.00 13.01 H new ATOM 0 HB2 LYS A 71 -5.912 5.118 -11.420 1.00 41.31 H new ATOM 0 HB3 LYS A 71 -4.656 5.587 -10.292 1.00 41.31 H new ATOM 0 HG2 LYS A 71 -5.877 7.789 -9.942 1.00 1.02 H new ATOM 0 HG3 LYS A 71 -7.171 7.189 -10.960 1.00 1.02 H new ATOM 0 HD2 LYS A 71 -7.460 5.275 -9.284 1.00 41.01 H new ATOM 0 HD3 LYS A 71 -6.339 6.121 -8.236 1.00 41.01 H new ATOM 0 HE2 LYS A 71 -9.036 7.106 -9.251 1.00 73.34 H new ATOM 0 HE3 LYS A 71 -8.576 6.789 -7.590 1.00 73.34 H new ATOM 0 HZ1 LYS A 71 -8.576 9.099 -7.877 1.00 32.12 H new ATOM 0 HZ2 LYS A 71 -6.940 8.649 -7.833 1.00 32.12 H new ATOM 0 HZ3 LYS A 71 -7.678 9.021 -9.316 1.00 32.12 H new ATOM 1013 N LEU A 72 -2.623 7.343 -10.957 1.00 32.54 N ATOM 1014 CA LEU A 72 -1.561 8.159 -10.367 1.00 14.11 C ATOM 1015 C LEU A 72 -1.094 9.222 -11.358 1.00 62.42 C ATOM 1016 O LEU A 72 -0.909 10.369 -10.962 1.00 52.13 O ATOM 1017 CB LEU A 72 -0.369 7.271 -9.955 1.00 43.23 C ATOM 1018 CG LEU A 72 -0.349 6.702 -8.518 1.00 62.22 C ATOM 1019 CD1 LEU A 72 0.398 7.631 -7.560 1.00 63.23 C ATOM 1020 CD2 LEU A 72 -1.705 6.343 -7.903 1.00 33.20 C ATOM 0 H LEU A 72 -2.433 6.343 -10.899 1.00 32.54 H new ATOM 0 HA LEU A 72 -1.960 8.652 -9.480 1.00 14.11 H new ATOM 0 HB2 LEU A 72 -0.324 6.430 -10.647 1.00 43.23 H new ATOM 0 HB3 LEU A 72 0.543 7.850 -10.097 1.00 43.23 H new ATOM 0 HG LEU A 72 0.175 5.754 -8.644 1.00 62.22 H new ATOM 0 HD11 LEU A 72 0.393 7.201 -6.558 1.00 63.23 H new ATOM 0 HD12 LEU A 72 1.427 7.751 -7.898 1.00 63.23 H new ATOM 0 HD13 LEU A 72 -0.093 8.604 -7.540 1.00 63.23 H new ATOM 0 HD21 LEU A 72 -1.556 5.955 -6.895 1.00 33.20 H new ATOM 0 HD22 LEU A 72 -2.332 7.233 -7.860 1.00 33.20 H new ATOM 0 HD23 LEU A 72 -2.193 5.584 -8.515 1.00 33.20 H new ATOM 1031 N ALA A 73 -0.956 8.865 -12.638 1.00 61.32 N ATOM 1032 CA ALA A 73 -0.512 9.763 -13.693 1.00 42.45 C ATOM 1033 C ALA A 73 -1.441 10.966 -13.772 1.00 21.43 C ATOM 1034 O ALA A 73 -0.979 12.105 -13.830 1.00 41.44 O ATOM 1035 CB ALA A 73 -0.523 9.044 -15.049 1.00 33.31 C ATOM 0 H ALA A 73 -1.156 7.922 -12.971 1.00 61.32 H new ATOM 0 HA ALA A 73 0.503 10.088 -13.462 1.00 42.45 H new ATOM 0 HB1 ALA A 73 -0.188 9.730 -15.827 1.00 33.31 H new ATOM 0 HB2 ALA A 73 0.146 8.184 -15.010 1.00 33.31 H new ATOM 0 HB3 ALA A 73 -1.535 8.706 -15.274 1.00 33.31 H new ATOM 1041 N ALA A 74 -2.749 10.708 -13.804 1.00 12.30 N ATOM 1042 CA ALA A 74 -3.731 11.772 -13.945 1.00 51.25 C ATOM 1043 C ALA A 74 -3.792 12.651 -12.695 1.00 44.12 C ATOM 1044 O ALA A 74 -4.095 13.841 -12.803 1.00 23.32 O ATOM 1045 CB ALA A 74 -5.094 11.140 -14.230 1.00 51.34 C ATOM 0 H ALA A 74 -3.148 9.772 -13.734 1.00 12.30 H new ATOM 0 HA ALA A 74 -3.440 12.420 -14.772 1.00 51.25 H new ATOM 0 HB1 ALA A 74 -5.843 11.924 -14.339 1.00 51.34 H new ATOM 0 HB2 ALA A 74 -5.040 10.559 -15.151 1.00 51.34 H new ATOM 0 HB3 ALA A 74 -5.371 10.485 -13.404 1.00 51.34 H new ATOM 1051 N ASP A 75 -3.540 12.091 -11.511 1.00 30.31 N ATOM 1052 CA ASP A 75 -3.495 12.849 -10.261 1.00 14.22 C ATOM 1053 C ASP A 75 -2.249 13.741 -10.215 1.00 42.24 C ATOM 1054 O ASP A 75 -2.327 14.851 -9.695 1.00 10.11 O ATOM 1055 CB ASP A 75 -3.480 11.901 -9.052 1.00 31.13 C ATOM 1056 CG ASP A 75 -4.859 11.589 -8.466 1.00 10.03 C ATOM 1057 OD1 ASP A 75 -5.528 10.645 -8.956 1.00 71.43 O ATOM 1058 OD2 ASP A 75 -5.192 12.121 -7.384 1.00 52.45 O ATOM 0 H ASP A 75 -3.361 11.094 -11.392 1.00 30.31 H new ATOM 0 HA ASP A 75 -4.388 13.473 -10.218 1.00 14.22 H new ATOM 0 HB2 ASP A 75 -3.006 10.965 -9.347 1.00 31.13 H new ATOM 0 HB3 ASP A 75 -2.859 12.340 -8.271 1.00 31.13 H new ATOM 1062 N LEU A 76 -1.108 13.284 -10.742 1.00 50.34 N ATOM 1063 CA LEU A 76 0.219 13.804 -10.396 1.00 41.23 C ATOM 1064 C LEU A 76 0.962 14.395 -11.590 1.00 25.10 C ATOM 1065 O LEU A 76 2.171 14.590 -11.485 1.00 72.12 O ATOM 1066 CB LEU A 76 1.069 12.682 -9.766 1.00 43.14 C ATOM 1067 CG LEU A 76 0.485 12.063 -8.486 1.00 72.41 C ATOM 1068 CD1 LEU A 76 1.433 10.969 -7.988 1.00 71.41 C ATOM 1069 CD2 LEU A 76 0.259 13.121 -7.401 1.00 2.42 C ATOM 0 H LEU A 76 -1.080 12.532 -11.431 1.00 50.34 H new ATOM 0 HA LEU A 76 0.063 14.615 -9.684 1.00 41.23 H new ATOM 0 HB2 LEU A 76 1.204 11.892 -10.504 1.00 43.14 H new ATOM 0 HB3 LEU A 76 2.058 13.080 -9.540 1.00 43.14 H new ATOM 0 HG LEU A 76 -0.489 11.630 -8.715 1.00 72.41 H new ATOM 0 HD11 LEU A 76 1.028 10.523 -7.080 1.00 71.41 H new ATOM 0 HD12 LEU A 76 1.537 10.201 -8.754 1.00 71.41 H new ATOM 0 HD13 LEU A 76 2.410 11.403 -7.775 1.00 71.41 H new ATOM 0 HD21 LEU A 76 -0.155 12.647 -6.511 1.00 2.42 H new ATOM 0 HD22 LEU A 76 1.208 13.595 -7.152 1.00 2.42 H new ATOM 0 HD23 LEU A 76 -0.438 13.875 -7.767 1.00 2.42 H new ATOM 1080 N GLU A 77 0.266 14.692 -12.689 1.00 43.33 N ATOM 1081 CA GLU A 77 0.834 15.157 -13.951 1.00 4.33 C ATOM 1082 C GLU A 77 1.892 16.250 -13.725 1.00 14.01 C ATOM 1083 O GLU A 77 1.572 17.365 -13.317 1.00 13.22 O ATOM 1084 CB GLU A 77 -0.308 15.599 -14.882 1.00 45.43 C ATOM 1085 CG GLU A 77 0.193 16.242 -16.189 1.00 73.54 C ATOM 1086 CD GLU A 77 -0.926 16.555 -17.188 1.00 3.23 C ATOM 1087 OE1 GLU A 77 -2.116 16.325 -16.871 1.00 71.12 O ATOM 1088 OE2 GLU A 77 -0.605 16.954 -18.333 1.00 62.41 O ATOM 0 H GLU A 77 -0.750 14.611 -12.723 1.00 43.33 H new ATOM 0 HA GLU A 77 1.367 14.341 -14.439 1.00 4.33 H new ATOM 0 HB2 GLU A 77 -0.927 14.735 -15.123 1.00 45.43 H new ATOM 0 HB3 GLU A 77 -0.944 16.310 -14.355 1.00 45.43 H new ATOM 0 HG2 GLU A 77 0.724 17.164 -15.950 1.00 73.54 H new ATOM 0 HG3 GLU A 77 0.913 15.573 -16.661 1.00 73.54 H new ATOM 1093 N GLY A 78 3.156 15.890 -13.957 1.00 5.11 N ATOM 1094 CA GLY A 78 4.328 16.747 -13.818 1.00 73.41 C ATOM 1095 C GLY A 78 5.010 16.646 -12.457 1.00 10.43 C ATOM 1096 O GLY A 78 6.239 16.686 -12.379 1.00 45.24 O ATOM 0 H GLY A 78 3.398 14.947 -14.261 1.00 5.11 H new ATOM 0 HA2 GLY A 78 5.048 16.489 -14.594 1.00 73.41 H new ATOM 0 HA3 GLY A 78 4.032 17.782 -13.989 1.00 73.41 H new ATOM 1100 N LYS A 79 4.243 16.512 -11.373 1.00 41.35 N ATOM 1101 CA LYS A 79 4.772 16.572 -10.006 1.00 12.24 C ATOM 1102 C LYS A 79 5.571 15.323 -9.657 1.00 45.33 C ATOM 1103 O LYS A 79 6.410 15.358 -8.752 1.00 3.04 O ATOM 1104 CB LYS A 79 3.636 16.750 -9.000 1.00 54.44 C ATOM 1105 CG LYS A 79 2.878 18.073 -9.178 1.00 23.34 C ATOM 1106 CD LYS A 79 1.766 18.053 -10.238 1.00 23.21 C ATOM 1107 CE LYS A 79 0.500 18.727 -9.707 1.00 42.11 C ATOM 1108 NZ LYS A 79 0.647 20.192 -9.573 1.00 73.12 N ATOM 0 H LYS A 79 3.236 16.358 -11.417 1.00 41.35 H new ATOM 0 HA LYS A 79 5.441 17.431 -9.955 1.00 12.24 H new ATOM 0 HB2 LYS A 79 2.936 15.920 -9.100 1.00 54.44 H new ATOM 0 HB3 LYS A 79 4.042 16.704 -7.990 1.00 54.44 H new ATOM 0 HG2 LYS A 79 2.440 18.354 -8.220 1.00 23.34 H new ATOM 0 HG3 LYS A 79 3.595 18.851 -9.441 1.00 23.34 H new ATOM 0 HD2 LYS A 79 2.106 18.565 -11.138 1.00 23.21 H new ATOM 0 HD3 LYS A 79 1.545 17.024 -10.521 1.00 23.21 H new ATOM 0 HE2 LYS A 79 -0.331 18.509 -10.378 1.00 42.11 H new ATOM 0 HE3 LYS A 79 0.246 18.301 -8.736 1.00 42.11 H new ATOM 0 HZ1 LYS A 79 -0.239 20.598 -9.210 1.00 73.12 H new ATOM 0 HZ2 LYS A 79 1.422 20.404 -8.912 1.00 73.12 H new ATOM 0 HZ3 LYS A 79 0.862 20.606 -10.503 1.00 73.12 H new ATOM 1118 N ALA A 80 5.281 14.228 -10.352 1.00 3.11 N ATOM 1119 CA ALA A 80 6.045 13.017 -10.409 1.00 23.41 C ATOM 1120 C ALA A 80 5.901 12.548 -11.850 1.00 54.33 C ATOM 1121 O ALA A 80 4.824 12.657 -12.443 1.00 63.13 O ATOM 1122 CB ALA A 80 5.465 12.000 -9.428 1.00 42.14 C ATOM 0 H ALA A 80 4.441 14.175 -10.928 1.00 3.11 H new ATOM 0 HA ALA A 80 7.091 13.151 -10.134 1.00 23.41 H new ATOM 0 HB1 ALA A 80 6.047 11.079 -9.472 1.00 42.14 H new ATOM 0 HB2 ALA A 80 5.504 12.406 -8.417 1.00 42.14 H new ATOM 0 HB3 ALA A 80 4.429 11.788 -9.694 1.00 42.14 H new ATOM 1128 N ASP A 81 6.986 12.029 -12.399 1.00 50.15 N ATOM 1129 CA ASP A 81 7.019 11.410 -13.719 1.00 22.43 C ATOM 1130 C ASP A 81 7.031 9.900 -13.539 1.00 4.14 C ATOM 1131 O ASP A 81 7.293 9.410 -12.437 1.00 52.25 O ATOM 1132 CB ASP A 81 8.280 11.819 -14.484 1.00 50.42 C ATOM 1133 CG ASP A 81 8.498 13.326 -14.478 1.00 13.04 C ATOM 1134 OD1 ASP A 81 7.876 14.046 -15.297 1.00 12.23 O ATOM 1135 OD2 ASP A 81 9.293 13.812 -13.644 1.00 32.31 O ATOM 0 H ASP A 81 7.892 12.025 -11.930 1.00 50.15 H new ATOM 0 HA ASP A 81 6.146 11.735 -14.284 1.00 22.43 H new ATOM 0 HB2 ASP A 81 9.146 11.327 -14.041 1.00 50.42 H new ATOM 0 HB3 ASP A 81 8.207 11.469 -15.514 1.00 50.42 H new ATOM 1139 N GLU A 82 6.832 9.168 -14.635 1.00 43.33 N ATOM 1140 CA GLU A 82 6.705 7.719 -14.649 1.00 4.31 C ATOM 1141 C GLU A 82 7.758 7.039 -13.784 1.00 1.42 C ATOM 1142 O GLU A 82 7.394 6.192 -12.969 1.00 53.04 O ATOM 1143 CB GLU A 82 6.771 7.213 -16.094 1.00 33.20 C ATOM 1144 CG GLU A 82 6.699 5.679 -16.202 1.00 73.15 C ATOM 1145 CD GLU A 82 7.998 5.098 -16.751 1.00 54.13 C ATOM 1146 OE1 GLU A 82 8.974 4.909 -15.991 1.00 12.33 O ATOM 1147 OE2 GLU A 82 8.054 4.843 -17.976 1.00 53.34 O ATOM 0 H GLU A 82 6.753 9.584 -15.563 1.00 43.33 H new ATOM 0 HA GLU A 82 5.737 7.461 -14.219 1.00 4.31 H new ATOM 0 HB2 GLU A 82 5.951 7.650 -16.663 1.00 33.20 H new ATOM 0 HB3 GLU A 82 7.697 7.560 -16.552 1.00 33.20 H new ATOM 0 HG2 GLU A 82 6.495 5.253 -15.220 1.00 73.15 H new ATOM 0 HG3 GLU A 82 5.870 5.397 -16.851 1.00 73.15 H new ATOM 1152 N GLU A 83 9.015 7.446 -13.936 1.00 43.41 N ATOM 1153 CA GLU A 83 10.169 6.904 -13.242 1.00 70.34 C ATOM 1154 C GLU A 83 9.889 6.723 -11.744 1.00 64.23 C ATOM 1155 O GLU A 83 9.976 5.610 -11.229 1.00 31.11 O ATOM 1156 CB GLU A 83 11.357 7.843 -13.524 1.00 64.35 C ATOM 1157 CG GLU A 83 12.638 7.382 -12.828 1.00 71.13 C ATOM 1158 CD GLU A 83 13.852 8.277 -13.090 1.00 53.34 C ATOM 1159 OE1 GLU A 83 13.890 9.004 -14.109 1.00 2.21 O ATOM 1160 OE2 GLU A 83 14.792 8.200 -12.264 1.00 33.33 O ATOM 0 H GLU A 83 9.264 8.199 -14.578 1.00 43.41 H new ATOM 0 HA GLU A 83 10.407 5.905 -13.606 1.00 70.34 H new ATOM 0 HB2 GLU A 83 11.529 7.895 -14.599 1.00 64.35 H new ATOM 0 HB3 GLU A 83 11.108 8.851 -13.192 1.00 64.35 H new ATOM 0 HG2 GLU A 83 12.459 7.338 -11.754 1.00 71.13 H new ATOM 0 HG3 GLU A 83 12.871 6.368 -13.154 1.00 71.13 H new ATOM 1165 N THR A 84 9.554 7.813 -11.046 1.00 4.04 N ATOM 1166 CA THR A 84 9.393 7.790 -9.598 1.00 61.14 C ATOM 1167 C THR A 84 8.050 7.162 -9.214 1.00 74.21 C ATOM 1168 O THR A 84 7.953 6.409 -8.244 1.00 22.40 O ATOM 1169 CB THR A 84 9.613 9.219 -9.078 1.00 3.14 C ATOM 1170 OG1 THR A 84 9.920 9.230 -7.703 1.00 72.55 O ATOM 1171 CG2 THR A 84 8.498 10.222 -9.349 1.00 11.10 C ATOM 0 H THR A 84 9.389 8.726 -11.469 1.00 4.04 H new ATOM 0 HA THR A 84 10.135 7.153 -9.117 1.00 61.14 H new ATOM 0 HB THR A 84 10.461 9.560 -9.672 1.00 3.14 H new ATOM 0 HG1 THR A 84 10.055 10.154 -7.405 1.00 72.55 H new ATOM 0 HG21 THR A 84 8.772 11.192 -8.934 1.00 11.10 H new ATOM 0 HG22 THR A 84 8.348 10.317 -10.424 1.00 11.10 H new ATOM 0 HG23 THR A 84 7.576 9.875 -8.883 1.00 11.10 H new ATOM 1179 N ILE A 85 7.006 7.383 -10.012 1.00 4.10 N ATOM 1180 CA ILE A 85 5.687 6.805 -9.749 1.00 21.44 C ATOM 1181 C ILE A 85 5.782 5.283 -9.734 1.00 54.43 C ATOM 1182 O ILE A 85 5.299 4.654 -8.786 1.00 21.50 O ATOM 1183 CB ILE A 85 4.664 7.213 -10.812 1.00 74.15 C ATOM 1184 CG1 ILE A 85 4.489 8.746 -10.923 1.00 54.11 C ATOM 1185 CG2 ILE A 85 3.295 6.608 -10.453 1.00 64.13 C ATOM 1186 CD1 ILE A 85 3.726 9.210 -12.167 1.00 43.04 C ATOM 0 H ILE A 85 7.048 7.962 -10.851 1.00 4.10 H new ATOM 0 HA ILE A 85 5.357 7.182 -8.781 1.00 21.44 H new ATOM 0 HB ILE A 85 5.037 6.843 -11.767 1.00 74.15 H new ATOM 0 HG12 ILE A 85 3.965 9.104 -10.037 1.00 54.11 H new ATOM 0 HG13 ILE A 85 5.474 9.212 -10.922 1.00 54.11 H new ATOM 0 HG21 ILE A 85 2.562 6.895 -11.206 1.00 64.13 H new ATOM 0 HG22 ILE A 85 3.375 5.521 -10.420 1.00 64.13 H new ATOM 0 HG23 ILE A 85 2.978 6.979 -9.478 1.00 64.13 H new ATOM 0 HD11 ILE A 85 3.650 10.297 -12.163 1.00 43.04 H new ATOM 0 HD12 ILE A 85 4.258 8.887 -13.062 1.00 43.04 H new ATOM 0 HD13 ILE A 85 2.726 8.777 -12.163 1.00 43.04 H new ATOM 1197 N ARG A 86 6.360 4.685 -10.781 1.00 44.04 N ATOM 1198 CA ARG A 86 6.573 3.246 -10.857 1.00 25.43 C ATOM 1199 C ARG A 86 7.441 2.809 -9.694 1.00 10.24 C ATOM 1200 O ARG A 86 7.191 1.750 -9.135 1.00 31.24 O ATOM 1201 CB ARG A 86 7.208 2.859 -12.211 1.00 45.05 C ATOM 1202 CG ARG A 86 6.210 2.125 -13.111 1.00 54.05 C ATOM 1203 CD ARG A 86 6.150 0.612 -12.836 1.00 42.11 C ATOM 1204 NE ARG A 86 6.932 -0.150 -13.822 1.00 74.42 N ATOM 1205 CZ ARG A 86 6.551 -1.295 -14.399 1.00 34.53 C ATOM 1206 NH1 ARG A 86 5.631 -2.070 -13.835 1.00 22.44 N ATOM 1207 NH2 ARG A 86 7.080 -1.651 -15.559 1.00 1.23 N ATOM 0 H ARG A 86 6.693 5.193 -11.601 1.00 44.04 H new ATOM 0 HA ARG A 86 5.614 2.732 -10.792 1.00 25.43 H new ATOM 0 HB2 ARG A 86 7.563 3.757 -12.717 1.00 45.05 H new ATOM 0 HB3 ARG A 86 8.078 2.225 -12.038 1.00 45.05 H new ATOM 0 HG2 ARG A 86 5.218 2.554 -12.969 1.00 54.05 H new ATOM 0 HG3 ARG A 86 6.482 2.288 -14.154 1.00 54.05 H new ATOM 0 HD2 ARG A 86 6.529 0.409 -11.835 1.00 42.11 H new ATOM 0 HD3 ARG A 86 5.112 0.279 -12.858 1.00 42.11 H new ATOM 0 HE ARG A 86 7.842 0.227 -14.088 1.00 74.42 H new ATOM 0 HH11 ARG A 86 5.205 -1.795 -12.950 1.00 22.44 H new ATOM 0 HH12 ARG A 86 5.351 -2.940 -14.287 1.00 22.44 H new ATOM 0 HH21 ARG A 86 7.774 -1.053 -16.008 1.00 1.23 H new ATOM 0 HH22 ARG A 86 6.794 -2.523 -16.004 1.00 1.23 H new ATOM 1218 N ALA A 87 8.378 3.648 -9.266 1.00 54.13 N ATOM 1219 CA ALA A 87 9.266 3.275 -8.166 1.00 31.51 C ATOM 1220 C ALA A 87 8.485 3.090 -6.853 1.00 14.24 C ATOM 1221 O ALA A 87 8.635 2.066 -6.183 1.00 71.23 O ATOM 1222 CB ALA A 87 10.412 4.282 -8.022 1.00 31.34 C ATOM 0 H ALA A 87 8.543 4.576 -9.655 1.00 54.13 H new ATOM 0 HA ALA A 87 9.713 2.310 -8.403 1.00 31.51 H new ATOM 0 HB1 ALA A 87 11.058 3.982 -7.197 1.00 31.34 H new ATOM 0 HB2 ALA A 87 10.991 4.309 -8.945 1.00 31.34 H new ATOM 0 HB3 ALA A 87 10.003 5.272 -7.821 1.00 31.34 H new ATOM 1228 N LYS A 88 7.616 4.043 -6.492 1.00 32.53 N ATOM 1229 CA LYS A 88 6.681 3.923 -5.361 1.00 63.32 C ATOM 1230 C LYS A 88 5.768 2.728 -5.568 1.00 31.34 C ATOM 1231 O LYS A 88 5.572 1.929 -4.649 1.00 73.13 O ATOM 1232 CB LYS A 88 5.816 5.186 -5.238 1.00 13.32 C ATOM 1233 CG LYS A 88 6.620 6.479 -5.101 1.00 31.40 C ATOM 1234 CD LYS A 88 7.407 6.650 -3.799 1.00 73.53 C ATOM 1235 CE LYS A 88 8.907 6.624 -4.094 1.00 63.42 C ATOM 1236 NZ LYS A 88 9.688 6.945 -2.891 1.00 4.11 N ATOM 0 H LYS A 88 7.540 4.933 -6.984 1.00 32.53 H new ATOM 0 HA LYS A 88 7.266 3.794 -4.450 1.00 63.32 H new ATOM 0 HB2 LYS A 88 5.174 5.261 -6.115 1.00 13.32 H new ATOM 0 HB3 LYS A 88 5.162 5.083 -4.372 1.00 13.32 H new ATOM 0 HG2 LYS A 88 7.320 6.537 -5.935 1.00 31.40 H new ATOM 0 HG3 LYS A 88 5.935 7.321 -5.200 1.00 31.40 H new ATOM 0 HD2 LYS A 88 7.137 7.592 -3.321 1.00 73.53 H new ATOM 0 HD3 LYS A 88 7.150 5.853 -3.101 1.00 73.53 H new ATOM 0 HE2 LYS A 88 9.191 5.639 -4.464 1.00 63.42 H new ATOM 0 HE3 LYS A 88 9.138 7.339 -4.883 1.00 63.42 H new ATOM 0 HZ1 LYS A 88 10.702 6.920 -3.119 1.00 4.11 H new ATOM 0 HZ2 LYS A 88 9.432 7.895 -2.554 1.00 4.11 H new ATOM 0 HZ3 LYS A 88 9.483 6.247 -2.148 1.00 4.11 H new ATOM 1246 N MET A 89 5.175 2.630 -6.760 1.00 1.04 N ATOM 1247 CA MET A 89 4.201 1.602 -7.078 1.00 42.01 C ATOM 1248 C MET A 89 4.796 0.235 -6.786 1.00 41.12 C ATOM 1249 O MET A 89 4.116 -0.580 -6.181 1.00 65.45 O ATOM 1250 CB MET A 89 3.762 1.708 -8.544 1.00 44.01 C ATOM 1251 CG MET A 89 2.791 0.604 -8.986 1.00 14.33 C ATOM 1252 SD MET A 89 3.361 -0.312 -10.437 1.00 45.22 S ATOM 1253 CE MET A 89 2.647 0.731 -11.727 1.00 64.34 C ATOM 0 H MET A 89 5.363 3.270 -7.532 1.00 1.04 H new ATOM 0 HA MET A 89 3.316 1.742 -6.457 1.00 42.01 H new ATOM 0 HB2 MET A 89 3.290 2.678 -8.702 1.00 44.01 H new ATOM 0 HB3 MET A 89 4.646 1.676 -9.181 1.00 44.01 H new ATOM 0 HG2 MET A 89 2.643 -0.092 -8.160 1.00 14.33 H new ATOM 0 HG3 MET A 89 1.821 1.050 -9.204 1.00 14.33 H new ATOM 0 HE1 MET A 89 2.772 0.248 -12.696 1.00 64.34 H new ATOM 0 HE2 MET A 89 1.585 0.879 -11.529 1.00 64.34 H new ATOM 0 HE3 MET A 89 3.152 1.697 -11.735 1.00 64.34 H new ATOM 1261 N VAL A 90 6.049 0.004 -7.166 1.00 30.12 N ATOM 1262 CA VAL A 90 6.748 -1.240 -6.935 1.00 74.42 C ATOM 1263 C VAL A 90 7.076 -1.406 -5.455 1.00 51.05 C ATOM 1264 O VAL A 90 6.675 -2.409 -4.849 1.00 70.41 O ATOM 1265 CB VAL A 90 7.989 -1.288 -7.853 1.00 50.23 C ATOM 1266 CG1 VAL A 90 8.907 -2.479 -7.554 1.00 71.24 C ATOM 1267 CG2 VAL A 90 7.585 -1.351 -9.336 1.00 70.21 C ATOM 0 H VAL A 90 6.614 0.699 -7.655 1.00 30.12 H new ATOM 0 HA VAL A 90 6.116 -2.091 -7.190 1.00 74.42 H new ATOM 0 HB VAL A 90 8.536 -0.368 -7.649 1.00 50.23 H new ATOM 0 HG11 VAL A 90 9.761 -2.459 -8.231 1.00 71.24 H new ATOM 0 HG12 VAL A 90 9.259 -2.418 -6.524 1.00 71.24 H new ATOM 0 HG13 VAL A 90 8.355 -3.408 -7.694 1.00 71.24 H new ATOM 0 HG21 VAL A 90 8.481 -1.384 -9.956 1.00 70.21 H new ATOM 0 HG22 VAL A 90 6.988 -2.246 -9.513 1.00 70.21 H new ATOM 0 HG23 VAL A 90 6.999 -0.468 -9.591 1.00 70.21 H new ATOM 1277 N GLU A 91 7.798 -0.447 -4.874 1.00 52.04 N ATOM 1278 CA GLU A 91 8.429 -0.627 -3.579 1.00 42.24 C ATOM 1279 C GLU A 91 7.390 -0.936 -2.509 1.00 53.11 C ATOM 1280 O GLU A 91 7.519 -1.939 -1.799 1.00 2.20 O ATOM 1281 CB GLU A 91 9.264 0.608 -3.212 1.00 11.20 C ATOM 1282 CG GLU A 91 9.825 0.463 -1.790 1.00 24.12 C ATOM 1283 CD GLU A 91 10.903 1.494 -1.487 1.00 5.12 C ATOM 1284 OE1 GLU A 91 12.084 1.187 -1.751 1.00 23.50 O ATOM 1285 OE2 GLU A 91 10.580 2.583 -0.951 1.00 2.23 O ATOM 0 H GLU A 91 7.958 0.470 -5.291 1.00 52.04 H new ATOM 0 HA GLU A 91 9.104 -1.481 -3.637 1.00 42.24 H new ATOM 0 HB2 GLU A 91 10.081 0.728 -3.923 1.00 11.20 H new ATOM 0 HB3 GLU A 91 8.649 1.505 -3.279 1.00 11.20 H new ATOM 0 HG2 GLU A 91 9.014 0.566 -1.069 1.00 24.12 H new ATOM 0 HG3 GLU A 91 10.237 -0.538 -1.665 1.00 24.12 H new ATOM 1290 N LEU A 92 6.344 -0.115 -2.366 1.00 73.53 N ATOM 1291 CA LEU A 92 5.497 -0.184 -1.194 1.00 71.35 C ATOM 1292 C LEU A 92 4.610 -1.412 -1.229 1.00 23.12 C ATOM 1293 O LEU A 92 4.106 -1.897 -0.221 1.00 22.54 O ATOM 1294 CB LEU A 92 4.650 1.078 -1.226 1.00 54.31 C ATOM 1295 CG LEU A 92 5.426 2.354 -0.878 1.00 3.20 C ATOM 1296 CD1 LEU A 92 6.486 2.207 0.222 1.00 12.04 C ATOM 1297 CD2 LEU A 92 5.894 3.267 -1.983 1.00 62.33 C ATOM 0 H LEU A 92 6.074 0.595 -3.046 1.00 73.53 H new ATOM 0 HA LEU A 92 6.092 -0.256 -0.283 1.00 71.35 H new ATOM 0 HB2 LEU A 92 4.216 1.188 -2.220 1.00 54.31 H new ATOM 0 HB3 LEU A 92 3.821 0.966 -0.527 1.00 54.31 H new ATOM 0 HG LEU A 92 4.581 2.904 -0.463 1.00 3.20 H new ATOM 0 HD11 LEU A 92 6.974 3.168 0.388 1.00 12.04 H new ATOM 0 HD12 LEU A 92 6.009 1.878 1.145 1.00 12.04 H new ATOM 0 HD13 LEU A 92 7.229 1.471 -0.085 1.00 12.04 H new ATOM 0 HD21 LEU A 92 6.424 4.117 -1.553 1.00 62.33 H new ATOM 0 HD22 LEU A 92 6.564 2.721 -2.647 1.00 62.33 H new ATOM 0 HD23 LEU A 92 5.034 3.624 -2.549 1.00 62.33 H new ATOM 1308 N ARG A 93 4.431 -1.920 -2.430 1.00 2.20 N ATOM 1309 CA ARG A 93 3.695 -3.103 -2.780 1.00 1.44 C ATOM 1310 C ARG A 93 4.495 -4.311 -2.311 1.00 21.53 C ATOM 1311 O ARG A 93 3.958 -5.122 -1.547 1.00 22.43 O ATOM 1312 CB ARG A 93 3.491 -3.030 -4.295 1.00 65.13 C ATOM 1313 CG ARG A 93 2.045 -2.709 -4.722 1.00 44.04 C ATOM 1314 CD ARG A 93 1.482 -1.326 -4.353 1.00 54.11 C ATOM 1315 NE ARG A 93 0.016 -1.287 -4.537 1.00 32.50 N ATOM 1316 CZ ARG A 93 -0.803 -0.263 -4.259 1.00 70.32 C ATOM 1317 NH1 ARG A 93 -0.332 0.952 -4.022 1.00 10.44 N ATOM 1318 NH2 ARG A 93 -2.111 -0.441 -4.227 1.00 31.21 N ATOM 0 H ARG A 93 4.834 -1.472 -3.253 1.00 2.20 H new ATOM 0 HA ARG A 93 2.717 -3.187 -2.306 1.00 1.44 H new ATOM 0 HB2 ARG A 93 4.156 -2.269 -4.704 1.00 65.13 H new ATOM 0 HB3 ARG A 93 3.786 -3.982 -4.737 1.00 65.13 H new ATOM 0 HG2 ARG A 93 1.983 -2.819 -5.805 1.00 44.04 H new ATOM 0 HG3 ARG A 93 1.391 -3.465 -4.287 1.00 44.04 H new ATOM 0 HD2 ARG A 93 1.729 -1.093 -3.317 1.00 54.11 H new ATOM 0 HD3 ARG A 93 1.951 -0.561 -4.972 1.00 54.11 H new ATOM 0 HE ARG A 93 -0.419 -2.129 -4.916 1.00 32.50 H new ATOM 0 HH11 ARG A 93 0.673 1.124 -4.049 1.00 10.44 H new ATOM 0 HH12 ARG A 93 -0.974 1.716 -3.813 1.00 10.44 H new ATOM 0 HH21 ARG A 93 -2.505 -1.363 -4.415 1.00 31.21 H new ATOM 0 HH22 ARG A 93 -2.727 0.343 -4.015 1.00 31.21 H new ATOM 1329 N ALA A 94 5.766 -4.400 -2.721 1.00 65.53 N ATOM 1330 CA ALA A 94 6.670 -5.484 -2.370 1.00 32.52 C ATOM 1331 C ALA A 94 6.923 -5.542 -0.863 1.00 12.33 C ATOM 1332 O ALA A 94 6.808 -6.604 -0.276 1.00 33.34 O ATOM 1333 CB ALA A 94 7.986 -5.324 -3.132 1.00 61.44 C ATOM 0 H ALA A 94 6.198 -3.698 -3.322 1.00 65.53 H new ATOM 0 HA ALA A 94 6.201 -6.426 -2.655 1.00 32.52 H new ATOM 0 HB1 ALA A 94 8.661 -6.138 -2.867 1.00 61.44 H new ATOM 0 HB2 ALA A 94 7.791 -5.349 -4.204 1.00 61.44 H new ATOM 0 HB3 ALA A 94 8.445 -4.371 -2.869 1.00 61.44 H new ATOM 1339 N THR A 95 7.203 -4.396 -0.256 1.00 41.32 N ATOM 1340 CA THR A 95 7.748 -4.143 1.074 1.00 33.14 C ATOM 1341 C THR A 95 6.659 -4.277 2.124 1.00 50.05 C ATOM 1342 O THR A 95 6.849 -4.980 3.113 1.00 52.33 O ATOM 1343 CB THR A 95 8.366 -2.721 1.079 1.00 41.12 C ATOM 1344 OG1 THR A 95 9.357 -2.640 0.074 1.00 34.54 O ATOM 1345 CG2 THR A 95 9.050 -2.355 2.405 1.00 23.34 C ATOM 0 H THR A 95 7.033 -3.516 -0.742 1.00 41.32 H new ATOM 0 HA THR A 95 8.520 -4.874 1.316 1.00 33.14 H new ATOM 0 HB THR A 95 7.538 -2.032 0.914 1.00 41.12 H new ATOM 0 HG1 THR A 95 8.941 -2.386 -0.776 1.00 34.54 H new ATOM 0 HG21 THR A 95 9.460 -1.347 2.337 1.00 23.34 H new ATOM 0 HG22 THR A 95 8.321 -2.396 3.214 1.00 23.34 H new ATOM 0 HG23 THR A 95 9.856 -3.061 2.606 1.00 23.34 H new ATOM 1353 N ALA A 96 5.489 -3.654 1.908 1.00 1.22 N ATOM 1354 CA ALA A 96 4.444 -3.657 2.918 1.00 4.41 C ATOM 1355 C ALA A 96 4.057 -5.071 3.328 1.00 71.41 C ATOM 1356 O ALA A 96 3.612 -5.235 4.456 1.00 4.14 O ATOM 1357 CB ALA A 96 3.203 -2.920 2.425 1.00 73.24 C ATOM 0 H ALA A 96 5.254 -3.151 1.052 1.00 1.22 H new ATOM 0 HA ALA A 96 4.849 -3.141 3.788 1.00 4.41 H new ATOM 0 HB1 ALA A 96 2.437 -2.938 3.200 1.00 73.24 H new ATOM 0 HB2 ALA A 96 3.461 -1.887 2.194 1.00 73.24 H new ATOM 0 HB3 ALA A 96 2.822 -3.408 1.528 1.00 73.24 H new ATOM 1363 N ARG A 97 4.232 -6.065 2.443 1.00 34.24 N ATOM 1364 CA ARG A 97 4.061 -7.481 2.734 1.00 73.14 C ATOM 1365 C ARG A 97 4.759 -7.829 4.041 1.00 70.32 C ATOM 1366 O ARG A 97 4.085 -8.249 4.983 1.00 51.00 O ATOM 1367 CB ARG A 97 4.612 -8.290 1.535 1.00 51.10 C ATOM 1368 CG ARG A 97 4.881 -9.774 1.894 1.00 32.54 C ATOM 1369 CD ARG A 97 5.298 -10.692 0.735 1.00 10.33 C ATOM 1370 NE ARG A 97 4.150 -11.304 0.038 1.00 45.32 N ATOM 1371 CZ ARG A 97 4.150 -11.754 -1.225 1.00 44.40 C ATOM 1372 NH1 ARG A 97 5.264 -11.769 -1.947 1.00 13.44 N ATOM 1373 NH2 ARG A 97 3.028 -12.201 -1.771 1.00 11.31 N ATOM 0 H ARG A 97 4.505 -5.890 1.476 1.00 34.24 H new ATOM 0 HA ARG A 97 3.008 -7.731 2.865 1.00 73.14 H new ATOM 0 HB2 ARG A 97 3.900 -8.242 0.711 1.00 51.10 H new ATOM 0 HB3 ARG A 97 5.537 -7.831 1.185 1.00 51.10 H new ATOM 0 HG2 ARG A 97 5.663 -9.806 2.653 1.00 32.54 H new ATOM 0 HG3 ARG A 97 3.979 -10.185 2.348 1.00 32.54 H new ATOM 0 HD2 ARG A 97 5.886 -10.118 0.019 1.00 10.33 H new ATOM 0 HD3 ARG A 97 5.945 -11.481 1.119 1.00 10.33 H new ATOM 0 HE ARG A 97 3.280 -11.392 0.563 1.00 45.32 H new ATOM 0 HH11 ARG A 97 6.139 -11.435 -1.542 1.00 13.44 H new ATOM 0 HH12 ARG A 97 5.245 -12.115 -2.906 1.00 13.44 H new ATOM 0 HH21 ARG A 97 2.163 -12.203 -1.230 1.00 11.31 H new ATOM 0 HH22 ARG A 97 3.029 -12.543 -2.732 1.00 11.31 H new ATOM 1384 N GLU A 98 6.083 -7.705 4.080 1.00 61.33 N ATOM 1385 CA GLU A 98 6.879 -8.096 5.223 1.00 31.54 C ATOM 1386 C GLU A 98 6.633 -7.128 6.370 1.00 50.11 C ATOM 1387 O GLU A 98 6.395 -7.565 7.497 1.00 30.14 O ATOM 1388 CB GLU A 98 8.356 -8.166 4.802 1.00 53.12 C ATOM 1389 CG GLU A 98 8.648 -9.532 4.151 1.00 23.11 C ATOM 1390 CD GLU A 98 10.033 -10.064 4.513 1.00 34.12 C ATOM 1391 OE1 GLU A 98 10.189 -10.657 5.602 1.00 54.43 O ATOM 1392 OE2 GLU A 98 10.967 -9.892 3.697 1.00 23.14 O ATOM 0 H GLU A 98 6.632 -7.326 3.308 1.00 61.33 H new ATOM 0 HA GLU A 98 6.593 -9.086 5.579 1.00 31.54 H new ATOM 0 HB2 GLU A 98 8.582 -7.363 4.101 1.00 53.12 H new ATOM 0 HB3 GLU A 98 8.999 -8.022 5.670 1.00 53.12 H new ATOM 0 HG2 GLU A 98 7.892 -10.251 4.466 1.00 23.11 H new ATOM 0 HG3 GLU A 98 8.569 -9.440 3.068 1.00 23.11 H new ATOM 1397 N GLN A 99 6.588 -5.829 6.073 1.00 72.53 N ATOM 1398 CA GLN A 99 6.386 -4.790 7.053 1.00 13.25 C ATOM 1399 C GLN A 99 5.123 -4.974 7.898 1.00 45.42 C ATOM 1400 O GLN A 99 5.146 -4.565 9.047 1.00 4.05 O ATOM 1401 CB GLN A 99 6.349 -3.431 6.351 1.00 62.14 C ATOM 1402 CG GLN A 99 7.461 -2.521 6.859 1.00 42.04 C ATOM 1403 CD GLN A 99 7.067 -1.060 6.739 1.00 2.03 C ATOM 1404 OE1 GLN A 99 6.041 -0.627 7.257 1.00 63.34 O ATOM 1405 NE2 GLN A 99 7.753 -0.292 5.918 1.00 24.14 N ATOM 0 H GLN A 99 6.694 -5.474 5.123 1.00 72.53 H new ATOM 0 HA GLN A 99 7.225 -4.846 7.746 1.00 13.25 H new ATOM 0 HB2 GLN A 99 6.452 -3.571 5.275 1.00 62.14 H new ATOM 0 HB3 GLN A 99 5.382 -2.957 6.519 1.00 62.14 H new ATOM 0 HG2 GLN A 99 7.682 -2.757 7.900 1.00 42.04 H new ATOM 0 HG3 GLN A 99 8.373 -2.703 6.290 1.00 42.04 H new ATOM 0 HE21 GLN A 99 8.606 -0.644 5.484 1.00 24.14 H new ATOM 0 HE22 GLN A 99 7.431 0.655 5.717 1.00 24.14 H new ATOM 1412 N ILE A 100 4.059 -5.628 7.407 1.00 13.01 N ATOM 1413 CA ILE A 100 2.883 -5.976 8.227 1.00 50.40 C ATOM 1414 C ILE A 100 3.306 -6.726 9.480 1.00 2.05 C ATOM 1415 O ILE A 100 2.814 -6.458 10.575 1.00 43.24 O ATOM 1416 CB ILE A 100 1.895 -6.874 7.434 1.00 30.13 C ATOM 1417 CG1 ILE A 100 1.057 -6.126 6.376 1.00 70.40 C ATOM 1418 CG2 ILE A 100 0.931 -7.692 8.323 1.00 53.12 C ATOM 1419 CD1 ILE A 100 0.083 -5.079 6.936 1.00 50.21 C ATOM 0 H ILE A 100 3.987 -5.930 6.435 1.00 13.01 H new ATOM 0 HA ILE A 100 2.392 -5.041 8.498 1.00 50.40 H new ATOM 0 HB ILE A 100 2.573 -7.557 6.922 1.00 30.13 H new ATOM 0 HG12 ILE A 100 1.736 -5.632 5.680 1.00 70.40 H new ATOM 0 HG13 ILE A 100 0.489 -6.858 5.802 1.00 70.40 H new ATOM 0 HG21 ILE A 100 0.275 -8.292 7.692 1.00 53.12 H new ATOM 0 HG22 ILE A 100 1.507 -8.348 8.976 1.00 53.12 H new ATOM 0 HG23 ILE A 100 0.331 -7.013 8.929 1.00 53.12 H new ATOM 0 HD11 ILE A 100 -0.458 -4.610 6.115 1.00 50.21 H new ATOM 0 HD12 ILE A 100 -0.626 -5.564 7.607 1.00 50.21 H new ATOM 0 HD13 ILE A 100 0.641 -4.320 7.484 1.00 50.21 H new ATOM 1430 N ILE A 101 4.157 -7.727 9.301 1.00 43.43 N ATOM 1431 CA ILE A 101 4.532 -8.634 10.357 1.00 64.10 C ATOM 1432 C ILE A 101 5.612 -7.950 11.198 1.00 4.22 C ATOM 1433 O ILE A 101 5.581 -8.062 12.417 1.00 32.14 O ATOM 1434 CB ILE A 101 4.980 -9.953 9.707 1.00 25.55 C ATOM 1435 CG1 ILE A 101 3.891 -10.578 8.781 1.00 41.14 C ATOM 1436 CG2 ILE A 101 5.483 -10.923 10.785 1.00 33.31 C ATOM 1437 CD1 ILE A 101 2.673 -11.257 9.417 1.00 74.41 C ATOM 0 H ILE A 101 4.606 -7.927 8.407 1.00 43.43 H new ATOM 0 HA ILE A 101 3.711 -8.877 11.032 1.00 64.10 H new ATOM 0 HB ILE A 101 5.812 -9.734 9.038 1.00 25.55 H new ATOM 0 HG12 ILE A 101 3.523 -9.788 8.127 1.00 41.14 H new ATOM 0 HG13 ILE A 101 4.383 -11.314 8.145 1.00 41.14 H new ATOM 0 HG21 ILE A 101 5.799 -11.855 10.317 1.00 33.31 H new ATOM 0 HG22 ILE A 101 6.327 -10.477 11.311 1.00 33.31 H new ATOM 0 HG23 ILE A 101 4.681 -11.127 11.494 1.00 33.31 H new ATOM 0 HD11 ILE A 101 2.017 -11.636 8.633 1.00 74.41 H new ATOM 0 HD12 ILE A 101 3.004 -12.084 10.045 1.00 74.41 H new ATOM 0 HD13 ILE A 101 2.130 -10.534 10.026 1.00 74.41 H new ATOM 1448 N SER A 102 6.514 -7.193 10.562 1.00 14.44 N ATOM 1449 CA SER A 102 7.523 -6.401 11.268 1.00 4.34 C ATOM 1450 C SER A 102 6.905 -5.209 12.027 1.00 44.33 C ATOM 1451 O SER A 102 7.630 -4.466 12.690 1.00 64.52 O ATOM 1452 CB SER A 102 8.598 -5.936 10.280 1.00 72.43 C ATOM 1453 OG SER A 102 9.687 -5.329 10.953 1.00 52.14 O ATOM 0 H SER A 102 6.563 -7.114 9.546 1.00 14.44 H new ATOM 0 HA SER A 102 7.985 -7.038 12.023 1.00 4.34 H new ATOM 0 HB2 SER A 102 8.955 -6.787 9.700 1.00 72.43 H new ATOM 0 HB3 SER A 102 8.164 -5.228 9.573 1.00 72.43 H new ATOM 0 HG SER A 102 9.375 -4.944 11.799 1.00 52.14 H new ATOM 1458 N GLU A 103 5.594 -4.988 11.916 1.00 34.41 N ATOM 1459 CA GLU A 103 4.841 -3.948 12.604 1.00 61.54 C ATOM 1460 C GLU A 103 4.117 -4.495 13.844 1.00 50.31 C ATOM 1461 O GLU A 103 3.611 -3.712 14.651 1.00 25.15 O ATOM 1462 CB GLU A 103 3.902 -3.359 11.539 1.00 2.33 C ATOM 1463 CG GLU A 103 2.658 -2.583 11.971 1.00 50.32 C ATOM 1464 CD GLU A 103 2.936 -1.211 12.587 1.00 71.12 C ATOM 1465 OE1 GLU A 103 4.084 -0.907 12.967 1.00 14.33 O ATOM 1466 OE2 GLU A 103 1.973 -0.414 12.712 1.00 63.33 O ATOM 0 H GLU A 103 5.003 -5.560 11.313 1.00 34.41 H new ATOM 0 HA GLU A 103 5.483 -3.167 13.011 1.00 61.54 H new ATOM 0 HB2 GLU A 103 4.497 -2.696 10.911 1.00 2.33 H new ATOM 0 HB3 GLU A 103 3.569 -4.183 10.907 1.00 2.33 H new ATOM 0 HG2 GLU A 103 2.011 -2.451 11.104 1.00 50.32 H new ATOM 0 HG3 GLU A 103 2.105 -3.184 12.693 1.00 50.32 H new ATOM 1471 N ILE A 104 4.049 -5.820 13.997 1.00 62.23 N ATOM 1472 CA ILE A 104 3.501 -6.505 15.170 1.00 11.22 C ATOM 1473 C ILE A 104 4.443 -6.233 16.334 1.00 52.02 C ATOM 1474 O ILE A 104 4.191 -5.273 17.088 1.00 11.35 O ATOM 1475 CB ILE A 104 3.277 -8.015 14.899 1.00 63.31 C ATOM 1476 CG1 ILE A 104 2.376 -8.214 13.659 1.00 63.41 C ATOM 1477 CG2 ILE A 104 2.610 -8.690 16.113 1.00 43.12 C ATOM 1478 CD1 ILE A 104 2.207 -9.665 13.201 1.00 32.22 C ATOM 0 H ILE A 104 4.385 -6.467 13.284 1.00 62.23 H new ATOM 0 HA ILE A 104 2.510 -6.123 15.416 1.00 11.22 H new ATOM 0 HB ILE A 104 4.251 -8.470 14.720 1.00 63.31 H new ATOM 0 HG12 ILE A 104 1.391 -7.801 13.876 1.00 63.41 H new ATOM 0 HG13 ILE A 104 2.789 -7.635 12.833 1.00 63.41 H new ATOM 0 HG21 ILE A 104 2.461 -9.749 15.904 1.00 43.12 H new ATOM 0 HG22 ILE A 104 3.250 -8.579 16.988 1.00 43.12 H new ATOM 0 HG23 ILE A 104 1.646 -8.219 16.307 1.00 43.12 H new ATOM 0 HD11 ILE A 104 1.558 -9.697 12.326 1.00 32.22 H new ATOM 0 HD12 ILE A 104 3.181 -10.082 12.946 1.00 32.22 H new ATOM 0 HD13 ILE A 104 1.761 -10.251 14.005 1.00 32.22 H new TER 1489 ILE A 104