USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN : amide:sc= 1.09 K(o=2.3,f=1.7) USER MOD Set 1.2: A 75 THR OG1 : rot 57:sc= 1.22 USER MOD Set 1.3: A 77 THR OG1 : rot 180:sc= 0.0216 USER MOD Set 2.1: A 41 THR OG1 : rot -108:sc= 0.12 USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0.802 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0667 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.8) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.132 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc=-0.00347 F(o=-0.86,f=-0.0035) USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= -0.458 (180deg=-0.606) USER MOD Single : A 39 THR OG1 : rot 43:sc= 0.107 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 62 SER OG : rot 143:sc= -0.507 USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= -0.56 (180deg=-2.1!) USER MOD Single : A 67 SER OG : rot 50:sc= 0.871 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00222) USER MOD Single : A 76 CYS SG : rot -2:sc= 0.816 USER MOD Single : A 80 TYR OH : rot 8:sc= 1.14 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 138:sc= 1.26 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 95 ASN : amide:sc= -3.99! C(o=-4!,f=-3.6!) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= -0.0148 (180deg=-0.199) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -0.841 F(o=-1.9!,f=-0.84) USER MOD Single : A 102 SER OG : rot 37:sc= 0.673 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.357 19.899 -37.029 1.00 0.00 N ATOM 2 CA GLY A 1 -28.012 19.558 -36.605 1.00 0.00 C ATOM 3 C GLY A 1 -27.828 19.680 -35.105 1.00 0.00 C ATOM 4 O GLY A 1 -28.718 20.156 -34.401 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.766 19.104 -37.560 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.945 20.096 -36.194 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.326 20.742 -37.637 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.785 18.538 -36.914 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.299 20.210 -37.110 1.00 0.00 H new ATOM 8 N SER A 2 -26.670 19.247 -34.616 1.00 0.00 N ATOM 9 CA SER A 2 -26.374 19.306 -33.189 1.00 0.00 C ATOM 10 C SER A 2 -25.642 20.597 -32.838 1.00 0.00 C ATOM 11 O SER A 2 -26.083 21.360 -31.978 1.00 0.00 O ATOM 12 CB SER A 2 -25.532 18.099 -32.772 1.00 0.00 C ATOM 13 OG SER A 2 -25.413 18.022 -31.362 1.00 0.00 O ATOM 0 H SER A 2 -25.922 18.852 -35.186 1.00 0.00 H new ATOM 0 HA SER A 2 -27.319 19.287 -32.646 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.988 17.185 -33.152 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.541 18.171 -33.220 1.00 0.00 H new ATOM 0 HG SER A 2 -24.872 17.241 -31.122 1.00 0.00 H new ATOM 19 N SER A 3 -24.520 20.836 -33.511 1.00 0.00 N ATOM 20 CA SER A 3 -23.723 22.032 -33.269 1.00 0.00 C ATOM 21 C SER A 3 -23.741 22.406 -31.789 1.00 0.00 C ATOM 22 O SER A 3 -23.845 23.580 -31.436 1.00 0.00 O ATOM 23 CB SER A 3 -24.249 23.199 -34.107 1.00 0.00 C ATOM 24 OG SER A 3 -23.219 24.132 -34.385 1.00 0.00 O ATOM 0 H SER A 3 -24.143 20.216 -34.228 1.00 0.00 H new ATOM 0 HA SER A 3 -22.695 21.819 -33.560 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.664 22.822 -35.042 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.060 23.696 -33.575 1.00 0.00 H new ATOM 0 HG SER A 3 -23.580 24.867 -34.923 1.00 0.00 H new ATOM 30 N GLY A 4 -23.638 21.398 -30.929 1.00 0.00 N ATOM 31 CA GLY A 4 -23.644 21.640 -29.498 1.00 0.00 C ATOM 32 C GLY A 4 -22.248 21.656 -28.907 1.00 0.00 C ATOM 33 O GLY A 4 -21.687 20.607 -28.593 1.00 0.00 O ATOM 0 H GLY A 4 -23.550 20.418 -31.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.132 22.594 -29.296 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.235 20.869 -29.005 1.00 0.00 H new ATOM 37 N SER A 5 -21.685 22.851 -28.757 1.00 0.00 N ATOM 38 CA SER A 5 -20.344 23.000 -28.204 1.00 0.00 C ATOM 39 C SER A 5 -20.225 24.295 -27.407 1.00 0.00 C ATOM 40 O SER A 5 -21.054 25.195 -27.537 1.00 0.00 O ATOM 41 CB SER A 5 -19.303 22.981 -29.325 1.00 0.00 C ATOM 42 OG SER A 5 -19.576 23.980 -30.292 1.00 0.00 O ATOM 0 H SER A 5 -22.137 23.730 -29.011 1.00 0.00 H new ATOM 0 HA SER A 5 -20.160 22.162 -27.532 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.309 23.139 -28.905 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.296 22.001 -29.802 1.00 0.00 H new ATOM 0 HG SER A 5 -18.896 23.948 -30.997 1.00 0.00 H new ATOM 48 N SER A 6 -19.187 24.380 -26.580 1.00 0.00 N ATOM 49 CA SER A 6 -18.961 25.563 -25.758 1.00 0.00 C ATOM 50 C SER A 6 -17.491 25.679 -25.366 1.00 0.00 C ATOM 51 O SER A 6 -16.804 24.674 -25.184 1.00 0.00 O ATOM 52 CB SER A 6 -19.833 25.511 -24.501 1.00 0.00 C ATOM 53 OG SER A 6 -19.455 24.433 -23.663 1.00 0.00 O ATOM 0 H SER A 6 -18.490 23.644 -26.462 1.00 0.00 H new ATOM 0 HA SER A 6 -19.233 26.440 -26.345 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.744 26.450 -23.954 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.880 25.405 -24.785 1.00 0.00 H new ATOM 0 HG SER A 6 -20.026 24.422 -22.866 1.00 0.00 H new ATOM 59 N GLY A 7 -17.014 26.914 -25.238 1.00 0.00 N ATOM 60 CA GLY A 7 -15.629 27.139 -24.869 1.00 0.00 C ATOM 61 C GLY A 7 -15.211 28.586 -25.046 1.00 0.00 C ATOM 62 O GLY A 7 -14.333 28.907 -25.847 1.00 0.00 O ATOM 0 H GLY A 7 -17.562 27.762 -25.383 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.480 26.845 -23.830 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.986 26.501 -25.476 1.00 0.00 H new ATOM 66 N PRO A 8 -15.849 29.487 -24.285 1.00 0.00 N ATOM 67 CA PRO A 8 -15.555 30.922 -24.344 1.00 0.00 C ATOM 68 C PRO A 8 -14.185 31.258 -23.764 1.00 0.00 C ATOM 69 O PRO A 8 -13.486 30.383 -23.254 1.00 0.00 O ATOM 70 CB PRO A 8 -16.663 31.547 -23.492 1.00 0.00 C ATOM 71 CG PRO A 8 -17.074 30.465 -22.553 1.00 0.00 C ATOM 72 CD PRO A 8 -16.906 29.176 -23.308 1.00 0.00 C ATOM 0 HA PRO A 8 -15.528 31.290 -25.370 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -16.302 32.423 -22.953 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.500 31.875 -24.109 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.458 30.474 -21.654 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.107 30.598 -22.233 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.615 28.359 -22.648 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.831 28.875 -23.799 1.00 0.00 H new ATOM 80 N GLU A 9 -13.808 32.530 -23.847 1.00 0.00 N ATOM 81 CA GLU A 9 -12.521 32.980 -23.331 1.00 0.00 C ATOM 82 C GLU A 9 -12.592 34.438 -22.888 1.00 0.00 C ATOM 83 O GLU A 9 -12.886 35.327 -23.687 1.00 0.00 O ATOM 84 CB GLU A 9 -11.433 32.810 -24.393 1.00 0.00 C ATOM 85 CG GLU A 9 -11.668 33.641 -25.643 1.00 0.00 C ATOM 86 CD GLU A 9 -10.960 33.078 -26.860 1.00 0.00 C ATOM 87 OE1 GLU A 9 -11.203 31.900 -27.197 1.00 0.00 O ATOM 88 OE2 GLU A 9 -10.162 33.816 -27.476 1.00 0.00 O ATOM 0 H GLU A 9 -14.375 33.267 -24.266 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.272 32.367 -22.465 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.470 33.083 -23.961 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.371 31.758 -24.672 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.738 33.695 -25.843 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.325 34.660 -25.467 1.00 0.00 H new ATOM 95 N SER A 10 -12.320 34.676 -21.608 1.00 0.00 N ATOM 96 CA SER A 10 -12.357 36.026 -21.057 1.00 0.00 C ATOM 97 C SER A 10 -11.210 36.243 -20.075 1.00 0.00 C ATOM 98 O SER A 10 -10.815 35.343 -19.333 1.00 0.00 O ATOM 99 CB SER A 10 -13.695 36.278 -20.359 1.00 0.00 C ATOM 100 OG SER A 10 -14.757 36.333 -21.296 1.00 0.00 O ATOM 0 H SER A 10 -12.072 33.952 -20.934 1.00 0.00 H new ATOM 0 HA SER A 10 -12.246 36.731 -21.881 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.886 35.486 -19.635 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.648 37.214 -19.803 1.00 0.00 H new ATOM 0 HG SER A 10 -15.601 36.493 -20.825 1.00 0.00 H new ATOM 106 N PRO A 11 -10.660 37.466 -20.070 1.00 0.00 N ATOM 107 CA PRO A 11 -9.551 37.832 -19.185 1.00 0.00 C ATOM 108 C PRO A 11 -9.977 37.911 -17.723 1.00 0.00 C ATOM 109 O PRO A 11 -10.597 38.886 -17.298 1.00 0.00 O ATOM 110 CB PRO A 11 -9.131 39.213 -19.694 1.00 0.00 C ATOM 111 CG PRO A 11 -10.353 39.766 -20.342 1.00 0.00 C ATOM 112 CD PRO A 11 -11.080 38.587 -20.928 1.00 0.00 C ATOM 0 HA PRO A 11 -8.751 37.092 -19.208 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.794 39.850 -18.877 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.306 39.140 -20.403 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.977 40.288 -19.617 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.092 40.488 -21.116 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.160 38.729 -20.904 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.804 38.422 -21.969 1.00 0.00 H new ATOM 120 N LEU A 12 -9.641 36.878 -16.957 1.00 0.00 N ATOM 121 CA LEU A 12 -9.989 36.831 -15.541 1.00 0.00 C ATOM 122 C LEU A 12 -8.994 35.974 -14.765 1.00 0.00 C ATOM 123 O LEU A 12 -9.002 34.748 -14.871 1.00 0.00 O ATOM 124 CB LEU A 12 -11.404 36.279 -15.362 1.00 0.00 C ATOM 125 CG LEU A 12 -12.542 37.179 -15.844 1.00 0.00 C ATOM 126 CD1 LEU A 12 -13.834 36.387 -15.967 1.00 0.00 C ATOM 127 CD2 LEU A 12 -12.725 38.358 -14.899 1.00 0.00 C ATOM 0 H LEU A 12 -9.128 36.063 -17.293 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.950 37.847 -15.148 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.471 35.328 -15.891 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.559 36.067 -14.304 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.282 37.565 -16.830 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.632 37.044 -16.311 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.697 35.577 -16.683 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.100 35.971 -14.995 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.539 38.988 -15.257 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.963 37.991 -13.901 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.805 38.941 -14.862 1.00 0.00 H new ATOM 139 N GLN A 13 -8.141 36.628 -13.983 1.00 0.00 N ATOM 140 CA GLN A 13 -7.141 35.926 -13.188 1.00 0.00 C ATOM 141 C GLN A 13 -7.154 36.414 -11.743 1.00 0.00 C ATOM 142 O GLN A 13 -6.722 37.528 -11.449 1.00 0.00 O ATOM 143 CB GLN A 13 -5.750 36.120 -13.792 1.00 0.00 C ATOM 144 CG GLN A 13 -5.443 35.165 -14.934 1.00 0.00 C ATOM 145 CD GLN A 13 -4.403 35.714 -15.890 1.00 0.00 C ATOM 146 OE1 GLN A 13 -3.403 36.297 -15.470 1.00 0.00 O ATOM 147 NE2 GLN A 13 -4.632 35.530 -17.185 1.00 0.00 N ATOM 0 H GLN A 13 -8.123 37.643 -13.883 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.387 34.864 -13.196 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.659 37.145 -14.152 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.002 35.990 -13.010 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.091 34.218 -14.526 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.361 34.954 -15.483 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.474 35.041 -17.490 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.966 35.877 -17.875 1.00 0.00 H new ATOM 156 N PHE A 14 -7.654 35.572 -10.844 1.00 0.00 N ATOM 157 CA PHE A 14 -7.724 35.918 -9.429 1.00 0.00 C ATOM 158 C PHE A 14 -6.817 35.012 -8.601 1.00 0.00 C ATOM 159 O PHE A 14 -7.096 33.826 -8.429 1.00 0.00 O ATOM 160 CB PHE A 14 -9.166 35.811 -8.927 1.00 0.00 C ATOM 161 CG PHE A 14 -10.068 36.886 -9.461 1.00 0.00 C ATOM 162 CD1 PHE A 14 -9.992 38.180 -8.970 1.00 0.00 C ATOM 163 CD2 PHE A 14 -10.992 36.604 -10.454 1.00 0.00 C ATOM 164 CE1 PHE A 14 -10.822 39.171 -9.458 1.00 0.00 C ATOM 165 CE2 PHE A 14 -11.824 37.592 -10.947 1.00 0.00 C ATOM 166 CZ PHE A 14 -11.738 38.877 -10.449 1.00 0.00 C ATOM 0 H PHE A 14 -8.016 34.646 -11.070 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.382 36.947 -9.315 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.569 34.838 -9.207 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.167 35.855 -7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.276 38.416 -8.197 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.063 35.601 -10.848 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.755 40.175 -9.065 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.540 37.359 -11.721 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.386 39.651 -10.834 1.00 0.00 H new ATOM 176 N TYR A 15 -5.729 35.581 -8.093 1.00 0.00 N ATOM 177 CA TYR A 15 -4.779 34.825 -7.286 1.00 0.00 C ATOM 178 C TYR A 15 -5.503 33.928 -6.287 1.00 0.00 C ATOM 179 O TYR A 15 -6.291 34.402 -5.467 1.00 0.00 O ATOM 180 CB TYR A 15 -3.837 35.776 -6.545 1.00 0.00 C ATOM 181 CG TYR A 15 -4.552 36.904 -5.836 1.00 0.00 C ATOM 182 CD1 TYR A 15 -5.146 36.706 -4.596 1.00 0.00 C ATOM 183 CD2 TYR A 15 -4.631 38.169 -6.405 1.00 0.00 C ATOM 184 CE1 TYR A 15 -5.800 37.733 -3.944 1.00 0.00 C ATOM 185 CE2 TYR A 15 -5.282 39.203 -5.760 1.00 0.00 C ATOM 186 CZ TYR A 15 -5.866 38.980 -4.531 1.00 0.00 C ATOM 187 OH TYR A 15 -6.515 40.007 -3.884 1.00 0.00 O ATOM 0 H TYR A 15 -5.484 36.562 -8.226 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.195 34.194 -7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.260 35.207 -5.816 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.126 36.197 -7.256 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.096 35.731 -4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.176 38.347 -7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.257 37.561 -2.981 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.333 40.181 -6.216 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.470 40.819 -4.431 1.00 0.00 H new ATOM 197 N VAL A 16 -5.231 32.629 -6.361 1.00 0.00 N ATOM 198 CA VAL A 16 -5.855 31.665 -5.463 1.00 0.00 C ATOM 199 C VAL A 16 -5.421 31.897 -4.020 1.00 0.00 C ATOM 200 O VAL A 16 -4.240 32.100 -3.742 1.00 0.00 O ATOM 201 CB VAL A 16 -5.509 30.219 -5.866 1.00 0.00 C ATOM 202 CG1 VAL A 16 -6.149 29.229 -4.904 1.00 0.00 C ATOM 203 CG2 VAL A 16 -5.948 29.945 -7.296 1.00 0.00 C ATOM 0 H VAL A 16 -4.582 32.220 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.933 31.809 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.428 30.094 -5.812 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.894 28.213 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.781 29.412 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.232 29.352 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.696 28.919 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.025 30.087 -7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.438 30.632 -7.971 1.00 0.00 H new ATOM 213 N ASN A 17 -6.385 31.865 -3.106 1.00 0.00 N ATOM 214 CA ASN A 17 -6.103 32.072 -1.690 1.00 0.00 C ATOM 215 C ASN A 17 -6.871 31.073 -0.831 1.00 0.00 C ATOM 216 O ASN A 17 -8.099 31.120 -0.754 1.00 0.00 O ATOM 217 CB ASN A 17 -6.466 33.500 -1.280 1.00 0.00 C ATOM 218 CG ASN A 17 -7.861 33.893 -1.727 1.00 0.00 C ATOM 219 OD1 ASN A 17 -8.846 33.606 -1.048 1.00 0.00 O ATOM 220 ND2 ASN A 17 -7.950 34.554 -2.876 1.00 0.00 N ATOM 0 H ASN A 17 -7.368 31.698 -3.320 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.036 31.916 -1.531 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.395 33.593 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.742 34.193 -1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.862 34.845 -3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.106 34.771 -3.406 1.00 0.00 H new ATOM 227 N TYR A 18 -6.140 30.170 -0.186 1.00 0.00 N ATOM 228 CA TYR A 18 -6.753 29.159 0.667 1.00 0.00 C ATOM 229 C TYR A 18 -5.839 28.808 1.838 1.00 0.00 C ATOM 230 O TYR A 18 -4.616 28.752 1.710 1.00 0.00 O ATOM 231 CB TYR A 18 -7.067 27.901 -0.144 1.00 0.00 C ATOM 232 CG TYR A 18 -5.844 27.242 -0.740 1.00 0.00 C ATOM 233 CD1 TYR A 18 -5.136 27.850 -1.770 1.00 0.00 C ATOM 234 CD2 TYR A 18 -5.395 26.013 -0.273 1.00 0.00 C ATOM 235 CE1 TYR A 18 -4.018 27.252 -2.318 1.00 0.00 C ATOM 236 CE2 TYR A 18 -4.277 25.408 -0.815 1.00 0.00 C ATOM 237 CZ TYR A 18 -3.592 26.032 -1.837 1.00 0.00 C ATOM 238 OH TYR A 18 -2.479 25.432 -2.379 1.00 0.00 O ATOM 0 H TYR A 18 -5.123 30.118 -0.238 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.682 29.569 1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.579 27.184 0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -7.757 28.160 -0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.466 28.806 -2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.929 25.522 0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.480 27.737 -3.119 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.941 24.452 -0.441 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.314 24.579 -1.926 1.00 0.00 H new ATOM 248 N PRO A 19 -6.447 28.564 3.009 1.00 0.00 N ATOM 249 CA PRO A 19 -5.709 28.213 4.226 1.00 0.00 C ATOM 250 C PRO A 19 -5.089 26.822 4.147 1.00 0.00 C ATOM 251 O PRO A 19 -5.342 26.073 3.204 1.00 0.00 O ATOM 252 CB PRO A 19 -6.782 28.260 5.317 1.00 0.00 C ATOM 253 CG PRO A 19 -8.063 28.004 4.600 1.00 0.00 C ATOM 254 CD PRO A 19 -7.901 28.613 3.234 1.00 0.00 C ATOM 0 HA PRO A 19 -4.871 28.887 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.600 27.507 6.084 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.795 29.228 5.818 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.264 26.935 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.903 28.452 5.130 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.444 28.049 2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.278 29.635 3.202 1.00 0.00 H new ATOM 262 N ASN A 20 -4.278 26.484 5.143 1.00 0.00 N ATOM 263 CA ASN A 20 -3.622 25.182 5.186 1.00 0.00 C ATOM 264 C ASN A 20 -4.550 24.124 5.774 1.00 0.00 C ATOM 265 O ASN A 20 -5.104 24.303 6.859 1.00 0.00 O ATOM 266 CB ASN A 20 -2.335 25.263 6.010 1.00 0.00 C ATOM 267 CG ASN A 20 -1.497 26.476 5.656 1.00 0.00 C ATOM 268 OD1 ASN A 20 -1.452 27.453 6.403 1.00 0.00 O ATOM 269 ND2 ASN A 20 -0.827 26.418 4.510 1.00 0.00 N ATOM 0 H ASN A 20 -4.059 27.093 5.931 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.374 24.894 4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.587 25.296 7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.747 24.359 5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.246 27.204 4.219 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.894 25.587 3.922 1.00 0.00 H new ATOM 276 N SER A 21 -4.715 23.021 5.051 1.00 0.00 N ATOM 277 CA SER A 21 -5.579 21.935 5.499 1.00 0.00 C ATOM 278 C SER A 21 -5.413 20.707 4.609 1.00 0.00 C ATOM 279 O SER A 21 -5.385 20.813 3.384 1.00 0.00 O ATOM 280 CB SER A 21 -7.041 22.385 5.499 1.00 0.00 C ATOM 281 OG SER A 21 -7.492 22.653 4.183 1.00 0.00 O ATOM 0 H SER A 21 -4.262 22.856 4.152 1.00 0.00 H new ATOM 0 HA SER A 21 -5.289 21.668 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.663 21.611 5.949 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.150 23.279 6.113 1.00 0.00 H new ATOM 0 HG SER A 21 -8.430 22.937 4.210 1.00 0.00 H new ATOM 287 N GLY A 22 -5.304 19.540 5.237 1.00 0.00 N ATOM 288 CA GLY A 22 -5.142 18.307 4.488 1.00 0.00 C ATOM 289 C GLY A 22 -4.524 17.200 5.320 1.00 0.00 C ATOM 290 O GLY A 22 -3.755 17.465 6.244 1.00 0.00 O ATOM 0 H GLY A 22 -5.325 19.426 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.114 17.980 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.516 18.495 3.616 1.00 0.00 H new ATOM 294 N SER A 23 -4.860 15.957 4.992 1.00 0.00 N ATOM 295 CA SER A 23 -4.337 14.807 5.719 1.00 0.00 C ATOM 296 C SER A 23 -4.121 13.623 4.780 1.00 0.00 C ATOM 297 O SER A 23 -4.575 13.633 3.636 1.00 0.00 O ATOM 298 CB SER A 23 -5.294 14.410 6.845 1.00 0.00 C ATOM 299 OG SER A 23 -4.733 13.392 7.656 1.00 0.00 O ATOM 0 H SER A 23 -5.492 15.721 4.227 1.00 0.00 H new ATOM 0 HA SER A 23 -3.376 15.088 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.522 15.283 7.457 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.236 14.063 6.420 1.00 0.00 H new ATOM 0 HG SER A 23 -5.363 13.157 8.369 1.00 0.00 H new ATOM 305 N VAL A 24 -3.423 12.605 5.273 1.00 0.00 N ATOM 306 CA VAL A 24 -3.146 11.413 4.480 1.00 0.00 C ATOM 307 C VAL A 24 -4.016 10.243 4.925 1.00 0.00 C ATOM 308 O VAL A 24 -4.032 9.880 6.101 1.00 0.00 O ATOM 309 CB VAL A 24 -1.664 11.004 4.580 1.00 0.00 C ATOM 310 CG1 VAL A 24 -1.410 9.723 3.801 1.00 0.00 C ATOM 311 CG2 VAL A 24 -0.767 12.128 4.082 1.00 0.00 C ATOM 0 H VAL A 24 -3.039 12.582 6.218 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.377 11.661 3.444 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.426 10.817 5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.358 9.450 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.026 8.921 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.664 9.878 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.276 11.822 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.004 12.349 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.930 13.019 4.688 1.00 0.00 H new ATOM 321 N SER A 25 -4.738 9.655 3.976 1.00 0.00 N ATOM 322 CA SER A 25 -5.613 8.527 4.270 1.00 0.00 C ATOM 323 C SER A 25 -5.386 7.390 3.279 1.00 0.00 C ATOM 324 O SER A 25 -4.785 7.583 2.223 1.00 0.00 O ATOM 325 CB SER A 25 -7.078 8.967 4.232 1.00 0.00 C ATOM 326 OG SER A 25 -7.299 10.079 5.082 1.00 0.00 O ATOM 0 H SER A 25 -4.734 9.942 2.997 1.00 0.00 H new ATOM 0 HA SER A 25 -5.375 8.166 5.271 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.357 9.225 3.210 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.718 8.139 4.538 1.00 0.00 H new ATOM 0 HG SER A 25 -8.242 10.342 5.038 1.00 0.00 H new ATOM 332 N ALA A 26 -5.871 6.203 3.628 1.00 0.00 N ATOM 333 CA ALA A 26 -5.724 5.034 2.770 1.00 0.00 C ATOM 334 C ALA A 26 -6.954 4.137 2.847 1.00 0.00 C ATOM 335 O ALA A 26 -7.370 3.729 3.931 1.00 0.00 O ATOM 336 CB ALA A 26 -4.474 4.254 3.151 1.00 0.00 C ATOM 0 H ALA A 26 -6.370 6.026 4.500 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.624 5.380 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.376 3.384 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.598 4.892 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.551 3.927 4.188 1.00 0.00 H new ATOM 342 N TYR A 27 -7.533 3.835 1.690 1.00 0.00 N ATOM 343 CA TYR A 27 -8.719 2.989 1.627 1.00 0.00 C ATOM 344 C TYR A 27 -8.719 2.145 0.356 1.00 0.00 C ATOM 345 O TYR A 27 -8.085 2.498 -0.637 1.00 0.00 O ATOM 346 CB TYR A 27 -9.986 3.844 1.685 1.00 0.00 C ATOM 347 CG TYR A 27 -10.163 4.745 0.484 1.00 0.00 C ATOM 348 CD1 TYR A 27 -10.738 4.269 -0.688 1.00 0.00 C ATOM 349 CD2 TYR A 27 -9.756 6.073 0.521 1.00 0.00 C ATOM 350 CE1 TYR A 27 -10.902 5.088 -1.788 1.00 0.00 C ATOM 351 CE2 TYR A 27 -9.917 6.900 -0.574 1.00 0.00 C ATOM 352 CZ TYR A 27 -10.490 6.403 -1.726 1.00 0.00 C ATOM 353 OH TYR A 27 -10.652 7.223 -2.819 1.00 0.00 O ATOM 0 H TYR A 27 -7.200 4.163 0.783 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.702 2.319 2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.853 3.189 1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.961 4.455 2.587 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.062 3.240 -0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.306 6.465 1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.350 4.701 -2.691 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.596 7.930 -0.528 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.311 8.118 -2.610 1.00 0.00 H new ATOM 363 N GLY A 28 -9.437 1.026 0.396 1.00 0.00 N ATOM 364 CA GLY A 28 -9.508 0.149 -0.757 1.00 0.00 C ATOM 365 C GLY A 28 -9.884 -1.271 -0.383 1.00 0.00 C ATOM 366 O GLY A 28 -9.805 -1.672 0.778 1.00 0.00 O ATOM 0 H GLY A 28 -9.970 0.712 1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -10.240 0.541 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.544 0.144 -1.266 1.00 0.00 H new ATOM 370 N PRO A 29 -10.307 -2.059 -1.384 1.00 0.00 N ATOM 371 CA PRO A 29 -10.707 -3.454 -1.178 1.00 0.00 C ATOM 372 C PRO A 29 -9.522 -4.353 -0.840 1.00 0.00 C ATOM 373 O PRO A 29 -9.694 -5.529 -0.524 1.00 0.00 O ATOM 374 CB PRO A 29 -11.312 -3.851 -2.527 1.00 0.00 C ATOM 375 CG PRO A 29 -10.665 -2.944 -3.515 1.00 0.00 C ATOM 376 CD PRO A 29 -10.426 -1.647 -2.793 1.00 0.00 C ATOM 0 HA PRO A 29 -11.394 -3.562 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.110 -4.897 -2.759 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.395 -3.728 -2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.728 -3.367 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -11.305 -2.794 -4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.521 -1.152 -3.145 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -11.249 -0.948 -2.939 1.00 0.00 H new ATOM 384 N GLY A 30 -8.319 -3.790 -0.910 1.00 0.00 N ATOM 385 CA GLY A 30 -7.124 -4.556 -0.608 1.00 0.00 C ATOM 386 C GLY A 30 -6.728 -4.461 0.852 1.00 0.00 C ATOM 387 O GLY A 30 -5.902 -5.239 1.331 1.00 0.00 O ATOM 0 H GLY A 30 -8.151 -2.818 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.291 -5.601 -0.869 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.301 -4.200 -1.228 1.00 0.00 H new ATOM 391 N LEU A 31 -7.315 -3.504 1.561 1.00 0.00 N ATOM 392 CA LEU A 31 -7.018 -3.308 2.976 1.00 0.00 C ATOM 393 C LEU A 31 -8.087 -3.954 3.852 1.00 0.00 C ATOM 394 O LEU A 31 -7.802 -4.424 4.953 1.00 0.00 O ATOM 395 CB LEU A 31 -6.915 -1.816 3.294 1.00 0.00 C ATOM 396 CG LEU A 31 -5.956 -1.007 2.419 1.00 0.00 C ATOM 397 CD1 LEU A 31 -6.239 0.481 2.552 1.00 0.00 C ATOM 398 CD2 LEU A 31 -4.512 -1.313 2.788 1.00 0.00 C ATOM 0 H LEU A 31 -8.000 -2.851 1.180 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.062 -3.786 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.909 -1.378 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.606 -1.707 4.334 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.113 -1.294 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.547 1.041 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.262 0.686 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.111 0.784 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.843 -0.729 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.341 -1.055 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.316 -2.375 2.640 1.00 0.00 H new ATOM 410 N VAL A 32 -9.319 -3.975 3.353 1.00 0.00 N ATOM 411 CA VAL A 32 -10.431 -4.566 4.088 1.00 0.00 C ATOM 412 C VAL A 32 -10.335 -6.088 4.100 1.00 0.00 C ATOM 413 O VAL A 32 -10.455 -6.720 5.151 1.00 0.00 O ATOM 414 CB VAL A 32 -11.786 -4.154 3.484 1.00 0.00 C ATOM 415 CG1 VAL A 32 -12.932 -4.779 4.264 1.00 0.00 C ATOM 416 CG2 VAL A 32 -11.916 -2.638 3.453 1.00 0.00 C ATOM 0 H VAL A 32 -9.572 -3.590 2.443 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.368 -4.192 5.110 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.833 -4.522 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.881 -4.476 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.846 -5.865 4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -12.892 -4.445 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.879 -2.364 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.847 -2.246 4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.115 -2.216 2.846 1.00 0.00 H new ATOM 426 N TYR A 33 -10.117 -6.671 2.927 1.00 0.00 N ATOM 427 CA TYR A 33 -10.006 -8.119 2.802 1.00 0.00 C ATOM 428 C TYR A 33 -9.343 -8.503 1.482 1.00 0.00 C ATOM 429 O TYR A 33 -9.201 -7.676 0.582 1.00 0.00 O ATOM 430 CB TYR A 33 -11.388 -8.768 2.898 1.00 0.00 C ATOM 431 CG TYR A 33 -12.407 -8.164 1.959 1.00 0.00 C ATOM 432 CD1 TYR A 33 -12.207 -8.178 0.584 1.00 0.00 C ATOM 433 CD2 TYR A 33 -13.569 -7.578 2.446 1.00 0.00 C ATOM 434 CE1 TYR A 33 -13.135 -7.627 -0.279 1.00 0.00 C ATOM 435 CE2 TYR A 33 -14.503 -7.026 1.591 1.00 0.00 C ATOM 436 CZ TYR A 33 -14.282 -7.053 0.230 1.00 0.00 C ATOM 437 OH TYR A 33 -15.209 -6.502 -0.625 1.00 0.00 O ATOM 0 H TYR A 33 -10.014 -6.163 2.049 1.00 0.00 H new ATOM 0 HA TYR A 33 -9.384 -8.482 3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.296 -9.833 2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.752 -8.679 3.922 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -11.311 -8.627 0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.745 -7.554 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.964 -7.645 -1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -15.402 -6.576 1.986 1.00 0.00 H new ATOM 0 HH TYR A 33 -15.958 -6.141 -0.107 1.00 0.00 H new ATOM 447 N GLY A 34 -8.939 -9.765 1.376 1.00 0.00 N ATOM 448 CA GLY A 34 -8.296 -10.238 0.164 1.00 0.00 C ATOM 449 C GLY A 34 -8.357 -11.746 0.026 1.00 0.00 C ATOM 450 O GLY A 34 -8.999 -12.425 0.828 1.00 0.00 O ATOM 0 H GLY A 34 -9.045 -10.468 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.774 -9.778 -0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.254 -9.918 0.160 1.00 0.00 H new ATOM 454 N VAL A 35 -7.689 -12.273 -0.995 1.00 0.00 N ATOM 455 CA VAL A 35 -7.670 -13.711 -1.236 1.00 0.00 C ATOM 456 C VAL A 35 -6.258 -14.199 -1.542 1.00 0.00 C ATOM 457 O VAL A 35 -5.508 -13.545 -2.266 1.00 0.00 O ATOM 458 CB VAL A 35 -8.598 -14.097 -2.403 1.00 0.00 C ATOM 459 CG1 VAL A 35 -8.565 -15.599 -2.638 1.00 0.00 C ATOM 460 CG2 VAL A 35 -10.018 -13.622 -2.133 1.00 0.00 C ATOM 0 H VAL A 35 -7.154 -11.726 -1.669 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.027 -14.189 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.240 -13.605 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.227 -15.852 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.548 -15.907 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.897 -16.116 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.660 -13.903 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.389 -14.084 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.024 -12.538 -2.020 1.00 0.00 H new ATOM 470 N ALA A 36 -5.903 -15.353 -0.986 1.00 0.00 N ATOM 471 CA ALA A 36 -4.582 -15.930 -1.201 1.00 0.00 C ATOM 472 C ALA A 36 -4.203 -15.899 -2.678 1.00 0.00 C ATOM 473 O ALA A 36 -5.010 -16.239 -3.542 1.00 0.00 O ATOM 474 CB ALA A 36 -4.537 -17.356 -0.672 1.00 0.00 C ATOM 0 H ALA A 36 -6.512 -15.906 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.856 -15.328 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.545 -17.775 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.755 -17.355 0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.279 -17.961 -1.193 1.00 0.00 H new ATOM 480 N ASN A 37 -2.971 -15.489 -2.959 1.00 0.00 N ATOM 481 CA ASN A 37 -2.486 -15.413 -4.333 1.00 0.00 C ATOM 482 C ASN A 37 -3.477 -14.664 -5.219 1.00 0.00 C ATOM 483 O ASN A 37 -3.714 -15.046 -6.365 1.00 0.00 O ATOM 484 CB ASN A 37 -2.247 -16.818 -4.890 1.00 0.00 C ATOM 485 CG ASN A 37 -0.973 -17.443 -4.356 1.00 0.00 C ATOM 486 OD1 ASN A 37 -0.862 -17.524 -3.035 1.00 0.00 O flip ATOM 487 ND2 ASN A 37 -0.099 -17.848 -5.122 1.00 0.00 N flip ATOM 0 H ASN A 37 -2.290 -15.204 -2.255 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.543 -14.866 -4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.095 -17.455 -4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.197 -16.771 -5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.227 -17.766 -6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.753 -18.266 -4.748 1.00 0.00 H new ATOM 494 N LYS A 38 -4.052 -13.594 -4.680 1.00 0.00 N ATOM 495 CA LYS A 38 -5.016 -12.789 -5.421 1.00 0.00 C ATOM 496 C LYS A 38 -4.545 -11.342 -5.531 1.00 0.00 C ATOM 497 O LYS A 38 -3.943 -10.801 -4.603 1.00 0.00 O ATOM 498 CB LYS A 38 -6.385 -12.840 -4.739 1.00 0.00 C ATOM 499 CG LYS A 38 -7.550 -12.698 -5.703 1.00 0.00 C ATOM 500 CD LYS A 38 -8.062 -14.054 -6.162 1.00 0.00 C ATOM 501 CE LYS A 38 -7.041 -14.770 -7.031 1.00 0.00 C ATOM 502 NZ LYS A 38 -6.730 -14.002 -8.269 1.00 0.00 N ATOM 0 H LYS A 38 -3.867 -13.264 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.102 -13.203 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.480 -13.785 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.441 -12.045 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.358 -12.147 -5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.238 -12.114 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.297 -14.669 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.989 -13.924 -6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.125 -14.927 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.421 -15.755 -7.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.972 -14.575 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.285 -13.122 -8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.716 -13.772 -8.289 1.00 0.00 H new ATOM 516 N THR A 39 -4.824 -10.719 -6.672 1.00 0.00 N ATOM 517 CA THR A 39 -4.430 -9.336 -6.904 1.00 0.00 C ATOM 518 C THR A 39 -5.168 -8.389 -5.964 1.00 0.00 C ATOM 519 O THR A 39 -6.398 -8.352 -5.946 1.00 0.00 O ATOM 520 CB THR A 39 -4.700 -8.910 -8.359 1.00 0.00 C ATOM 521 OG1 THR A 39 -6.025 -9.293 -8.743 1.00 0.00 O ATOM 522 CG2 THR A 39 -3.690 -9.544 -9.305 1.00 0.00 C ATOM 0 H THR A 39 -5.322 -11.152 -7.450 1.00 0.00 H new ATOM 0 HA THR A 39 -3.359 -9.276 -6.709 1.00 0.00 H new ATOM 0 HB THR A 39 -4.602 -7.826 -8.421 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.648 -9.094 -8.013 1.00 0.00 H new ATOM 0 HG21 THR A 39 -3.901 -9.229 -10.327 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.684 -9.228 -9.028 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.761 -10.630 -9.238 1.00 0.00 H new ATOM 530 N ALA A 40 -4.409 -7.624 -5.186 1.00 0.00 N ATOM 531 CA ALA A 40 -4.992 -6.675 -4.246 1.00 0.00 C ATOM 532 C ALA A 40 -4.290 -5.323 -4.325 1.00 0.00 C ATOM 533 O ALA A 40 -3.120 -5.196 -3.962 1.00 0.00 O ATOM 534 CB ALA A 40 -4.923 -7.225 -2.829 1.00 0.00 C ATOM 0 H ALA A 40 -3.389 -7.643 -5.188 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.038 -6.529 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.362 -6.506 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.475 -8.163 -2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.882 -7.401 -2.557 1.00 0.00 H new ATOM 540 N THR A 41 -5.012 -4.314 -4.802 1.00 0.00 N ATOM 541 CA THR A 41 -4.458 -2.972 -4.931 1.00 0.00 C ATOM 542 C THR A 41 -5.334 -1.946 -4.220 1.00 0.00 C ATOM 543 O THR A 41 -6.559 -1.978 -4.331 1.00 0.00 O ATOM 544 CB THR A 41 -4.307 -2.565 -6.409 1.00 0.00 C ATOM 545 OG1 THR A 41 -3.518 -3.536 -7.106 1.00 0.00 O ATOM 546 CG2 THR A 41 -3.658 -1.195 -6.530 1.00 0.00 C ATOM 0 H THR A 41 -5.982 -4.401 -5.105 1.00 0.00 H new ATOM 0 HA THR A 41 -3.473 -2.991 -4.465 1.00 0.00 H new ATOM 0 HB THR A 41 -5.301 -2.518 -6.853 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.636 -3.159 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.562 -0.930 -7.583 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.276 -0.454 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.670 -1.219 -6.070 1.00 0.00 H new ATOM 554 N PHE A 42 -4.697 -1.035 -3.491 1.00 0.00 N ATOM 555 CA PHE A 42 -5.418 0.001 -2.762 1.00 0.00 C ATOM 556 C PHE A 42 -4.937 1.390 -3.173 1.00 0.00 C ATOM 557 O PHE A 42 -3.830 1.550 -3.688 1.00 0.00 O ATOM 558 CB PHE A 42 -5.239 -0.188 -1.254 1.00 0.00 C ATOM 559 CG PHE A 42 -3.805 -0.144 -0.811 1.00 0.00 C ATOM 560 CD1 PHE A 42 -2.959 -1.214 -1.053 1.00 0.00 C ATOM 561 CD2 PHE A 42 -3.303 0.967 -0.153 1.00 0.00 C ATOM 562 CE1 PHE A 42 -1.639 -1.177 -0.645 1.00 0.00 C ATOM 563 CE2 PHE A 42 -1.983 1.010 0.257 1.00 0.00 C ATOM 564 CZ PHE A 42 -1.150 -0.063 0.009 1.00 0.00 C ATOM 0 H PHE A 42 -3.683 -0.994 -3.390 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.476 -0.086 -3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.797 0.588 -0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -5.672 -1.145 -0.962 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.335 -2.087 -1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.950 1.809 0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.990 -2.019 -0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.604 1.881 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.118 -0.031 0.326 1.00 0.00 H new ATOM 574 N THR A 43 -5.779 2.394 -2.942 1.00 0.00 N ATOM 575 CA THR A 43 -5.442 3.768 -3.288 1.00 0.00 C ATOM 576 C THR A 43 -5.114 4.585 -2.043 1.00 0.00 C ATOM 577 O THR A 43 -5.837 4.533 -1.048 1.00 0.00 O ATOM 578 CB THR A 43 -6.592 4.454 -4.049 1.00 0.00 C ATOM 579 OG1 THR A 43 -7.133 3.560 -5.029 1.00 0.00 O ATOM 580 CG2 THR A 43 -6.109 5.726 -4.729 1.00 0.00 C ATOM 0 H THR A 43 -6.699 2.280 -2.517 1.00 0.00 H new ATOM 0 HA THR A 43 -4.564 3.725 -3.932 1.00 0.00 H new ATOM 0 HB THR A 43 -7.367 4.717 -3.330 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.865 4.003 -5.507 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.939 6.192 -5.260 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.725 6.416 -3.978 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.317 5.482 -5.437 1.00 0.00 H new ATOM 588 N ILE A 44 -4.021 5.338 -2.106 1.00 0.00 N ATOM 589 CA ILE A 44 -3.599 6.167 -0.984 1.00 0.00 C ATOM 590 C ILE A 44 -3.816 7.646 -1.281 1.00 0.00 C ATOM 591 O ILE A 44 -3.106 8.238 -2.094 1.00 0.00 O ATOM 592 CB ILE A 44 -2.116 5.936 -0.640 1.00 0.00 C ATOM 593 CG1 ILE A 44 -1.838 4.442 -0.461 1.00 0.00 C ATOM 594 CG2 ILE A 44 -1.738 6.705 0.617 1.00 0.00 C ATOM 595 CD1 ILE A 44 -0.364 4.105 -0.401 1.00 0.00 C ATOM 0 H ILE A 44 -3.412 5.391 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.211 5.877 -0.130 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.505 6.304 -1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.319 4.098 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.295 3.894 -1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.687 6.532 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.903 7.770 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.353 6.365 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.242 3.029 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.119 4.418 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.094 4.625 0.440 1.00 0.00 H new ATOM 607 N VAL A 45 -4.803 8.240 -0.616 1.00 0.00 N ATOM 608 CA VAL A 45 -5.112 9.652 -0.806 1.00 0.00 C ATOM 609 C VAL A 45 -3.930 10.531 -0.413 1.00 0.00 C ATOM 610 O VAL A 45 -3.357 10.375 0.666 1.00 0.00 O ATOM 611 CB VAL A 45 -6.346 10.071 0.015 1.00 0.00 C ATOM 612 CG1 VAL A 45 -6.658 11.544 -0.205 1.00 0.00 C ATOM 613 CG2 VAL A 45 -7.544 9.204 -0.343 1.00 0.00 C ATOM 0 H VAL A 45 -5.402 7.765 0.059 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.326 9.790 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.125 9.925 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.533 11.822 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.805 12.147 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.860 11.719 -1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.407 9.514 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.770 9.316 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.315 8.160 -0.129 1.00 0.00 H new ATOM 623 N THR A 46 -3.569 11.457 -1.296 1.00 0.00 N ATOM 624 CA THR A 46 -2.455 12.362 -1.042 1.00 0.00 C ATOM 625 C THR A 46 -2.564 13.621 -1.895 1.00 0.00 C ATOM 626 O THR A 46 -2.508 13.556 -3.122 1.00 0.00 O ATOM 627 CB THR A 46 -1.103 11.680 -1.322 1.00 0.00 C ATOM 628 OG1 THR A 46 -0.032 12.599 -1.082 1.00 0.00 O ATOM 629 CG2 THR A 46 -1.036 11.181 -2.758 1.00 0.00 C ATOM 0 H THR A 46 -4.032 11.600 -2.193 1.00 0.00 H new ATOM 0 HA THR A 46 -2.504 12.636 0.012 1.00 0.00 H new ATOM 0 HB THR A 46 -1.006 10.826 -0.652 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.824 12.157 -1.261 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.072 10.703 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.835 10.460 -2.930 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.153 12.022 -3.441 1.00 0.00 H new ATOM 637 N GLU A 47 -2.718 14.765 -1.236 1.00 0.00 N ATOM 638 CA GLU A 47 -2.835 16.039 -1.936 1.00 0.00 C ATOM 639 C GLU A 47 -1.814 17.044 -1.409 1.00 0.00 C ATOM 640 O GLU A 47 -1.641 17.193 -0.200 1.00 0.00 O ATOM 641 CB GLU A 47 -4.249 16.603 -1.783 1.00 0.00 C ATOM 642 CG GLU A 47 -4.752 16.603 -0.349 1.00 0.00 C ATOM 643 CD GLU A 47 -5.406 15.291 0.039 1.00 0.00 C ATOM 644 OE1 GLU A 47 -5.124 14.270 -0.623 1.00 0.00 O ATOM 645 OE2 GLU A 47 -6.198 15.285 1.004 1.00 0.00 O ATOM 0 H GLU A 47 -2.765 14.836 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.635 15.864 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.268 17.623 -2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.933 16.019 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.919 16.803 0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.468 17.414 -0.219 1.00 0.00 H new ATOM 652 N ASP A 48 -1.142 17.730 -2.326 1.00 0.00 N ATOM 653 CA ASP A 48 -0.139 18.722 -1.956 1.00 0.00 C ATOM 654 C ASP A 48 0.700 18.233 -0.779 1.00 0.00 C ATOM 655 O ASP A 48 0.992 18.992 0.145 1.00 0.00 O ATOM 656 CB ASP A 48 -0.810 20.050 -1.603 1.00 0.00 C ATOM 657 CG ASP A 48 0.134 21.229 -1.737 1.00 0.00 C ATOM 658 OD1 ASP A 48 0.883 21.280 -2.735 1.00 0.00 O ATOM 659 OD2 ASP A 48 0.122 22.102 -0.844 1.00 0.00 O ATOM 0 H ASP A 48 -1.273 17.618 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 48 0.520 18.873 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.672 20.202 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.186 20.004 -0.581 1.00 0.00 H new ATOM 664 N ALA A 49 1.083 16.962 -0.820 1.00 0.00 N ATOM 665 CA ALA A 49 1.889 16.372 0.242 1.00 0.00 C ATOM 666 C ALA A 49 3.347 16.240 -0.183 1.00 0.00 C ATOM 667 O ALA A 49 4.251 16.698 0.514 1.00 0.00 O ATOM 668 CB ALA A 49 1.328 15.014 0.638 1.00 0.00 C ATOM 0 H ALA A 49 0.848 16.320 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 49 1.849 17.036 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.940 14.585 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.304 15.133 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.338 14.350 -0.226 1.00 0.00 H new ATOM 674 N GLY A 50 3.569 15.610 -1.333 1.00 0.00 N ATOM 675 CA GLY A 50 4.920 15.429 -1.831 1.00 0.00 C ATOM 676 C GLY A 50 5.435 14.021 -1.610 1.00 0.00 C ATOM 677 O GLY A 50 4.889 13.274 -0.799 1.00 0.00 O ATOM 0 H GLY A 50 2.837 15.222 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.945 15.659 -2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.584 16.137 -1.336 1.00 0.00 H new ATOM 681 N GLU A 51 6.489 13.657 -2.334 1.00 0.00 N ATOM 682 CA GLU A 51 7.076 12.328 -2.214 1.00 0.00 C ATOM 683 C GLU A 51 8.458 12.399 -1.572 1.00 0.00 C ATOM 684 O GLU A 51 9.476 12.406 -2.263 1.00 0.00 O ATOM 685 CB GLU A 51 7.174 11.663 -3.589 1.00 0.00 C ATOM 686 CG GLU A 51 7.818 12.544 -4.646 1.00 0.00 C ATOM 687 CD GLU A 51 7.822 11.899 -6.019 1.00 0.00 C ATOM 688 OE1 GLU A 51 8.686 11.031 -6.264 1.00 0.00 O ATOM 689 OE2 GLU A 51 6.961 12.263 -6.847 1.00 0.00 O ATOM 0 H GLU A 51 6.953 14.264 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 51 6.428 11.729 -1.574 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.748 10.741 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.174 11.384 -3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.285 13.494 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.843 12.769 -4.351 1.00 0.00 H new ATOM 696 N GLY A 52 8.485 12.453 -0.243 1.00 0.00 N ATOM 697 CA GLY A 52 9.747 12.524 0.470 1.00 0.00 C ATOM 698 C GLY A 52 10.214 11.168 0.959 1.00 0.00 C ATOM 699 O GLY A 52 11.052 10.527 0.326 1.00 0.00 O ATOM 0 H GLY A 52 7.656 12.449 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.507 12.952 -0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 52 9.643 13.197 1.321 1.00 0.00 H new ATOM 703 N GLY A 53 9.670 10.728 2.090 1.00 0.00 N ATOM 704 CA GLY A 53 10.050 9.442 2.645 1.00 0.00 C ATOM 705 C GLY A 53 8.854 8.551 2.915 1.00 0.00 C ATOM 706 O GLY A 53 8.523 8.276 4.069 1.00 0.00 O ATOM 0 H GLY A 53 8.973 11.239 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.727 8.938 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.600 9.598 3.573 1.00 0.00 H new ATOM 710 N LEU A 54 8.202 8.100 1.849 1.00 0.00 N ATOM 711 CA LEU A 54 7.034 7.236 1.976 1.00 0.00 C ATOM 712 C LEU A 54 7.450 5.776 2.123 1.00 0.00 C ATOM 713 O LEU A 54 7.906 5.150 1.165 1.00 0.00 O ATOM 714 CB LEU A 54 6.121 7.397 0.759 1.00 0.00 C ATOM 715 CG LEU A 54 4.930 6.441 0.682 1.00 0.00 C ATOM 716 CD1 LEU A 54 4.001 6.648 1.868 1.00 0.00 C ATOM 717 CD2 LEU A 54 4.177 6.632 -0.627 1.00 0.00 C ATOM 0 H LEU A 54 8.462 8.318 0.887 1.00 0.00 H new ATOM 0 HA LEU A 54 6.490 7.532 2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.742 8.419 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.723 7.269 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 54 5.307 5.419 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.160 5.959 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.545 6.460 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.631 7.673 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.333 5.944 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.812 7.657 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.846 6.432 -1.464 1.00 0.00 H new ATOM 729 N ASP A 55 7.289 5.238 3.327 1.00 0.00 N ATOM 730 CA ASP A 55 7.645 3.850 3.599 1.00 0.00 C ATOM 731 C ASP A 55 6.404 2.963 3.608 1.00 0.00 C ATOM 732 O ASP A 55 5.351 3.355 4.113 1.00 0.00 O ATOM 733 CB ASP A 55 8.374 3.742 4.939 1.00 0.00 C ATOM 734 CG ASP A 55 9.725 4.429 4.920 1.00 0.00 C ATOM 735 OD1 ASP A 55 9.767 5.661 5.123 1.00 0.00 O ATOM 736 OD2 ASP A 55 10.741 3.736 4.701 1.00 0.00 O ATOM 0 H ASP A 55 6.914 5.742 4.131 1.00 0.00 H new ATOM 0 HA ASP A 55 8.308 3.508 2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.757 4.183 5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.508 2.690 5.193 1.00 0.00 H new ATOM 741 N LEU A 56 6.534 1.767 3.045 1.00 0.00 N ATOM 742 CA LEU A 56 5.423 0.823 2.987 1.00 0.00 C ATOM 743 C LEU A 56 5.903 -0.600 3.250 1.00 0.00 C ATOM 744 O LEU A 56 6.835 -1.081 2.605 1.00 0.00 O ATOM 745 CB LEU A 56 4.736 0.898 1.622 1.00 0.00 C ATOM 746 CG LEU A 56 3.592 1.905 1.501 1.00 0.00 C ATOM 747 CD1 LEU A 56 4.125 3.273 1.104 1.00 0.00 C ATOM 748 CD2 LEU A 56 2.559 1.420 0.494 1.00 0.00 C ATOM 0 H LEU A 56 7.398 1.428 2.622 1.00 0.00 H new ATOM 0 HA LEU A 56 4.707 1.094 3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.488 1.141 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.350 -0.091 1.377 1.00 0.00 H new ATOM 0 HG LEU A 56 3.108 1.995 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.297 3.977 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.826 3.624 1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.635 3.200 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.752 2.149 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.030 1.301 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.154 0.462 0.821 1.00 0.00 H new ATOM 760 N ALA A 57 5.260 -1.270 4.200 1.00 0.00 N ATOM 761 CA ALA A 57 5.618 -2.640 4.546 1.00 0.00 C ATOM 762 C ALA A 57 4.402 -3.419 5.037 1.00 0.00 C ATOM 763 O ALA A 57 3.459 -2.839 5.575 1.00 0.00 O ATOM 764 CB ALA A 57 6.714 -2.649 5.601 1.00 0.00 C ATOM 0 H ALA A 57 4.488 -0.886 4.744 1.00 0.00 H new ATOM 0 HA ALA A 57 5.991 -3.129 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.971 -3.679 5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.596 -2.138 5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.361 -2.137 6.496 1.00 0.00 H new ATOM 770 N ILE A 58 4.432 -4.733 4.847 1.00 0.00 N ATOM 771 CA ILE A 58 3.331 -5.590 5.271 1.00 0.00 C ATOM 772 C ILE A 58 3.849 -6.847 5.964 1.00 0.00 C ATOM 773 O ILE A 58 4.856 -7.422 5.555 1.00 0.00 O ATOM 774 CB ILE A 58 2.447 -6.002 4.079 1.00 0.00 C ATOM 775 CG1 ILE A 58 1.855 -4.764 3.404 1.00 0.00 C ATOM 776 CG2 ILE A 58 1.342 -6.941 4.540 1.00 0.00 C ATOM 777 CD1 ILE A 58 1.244 -5.048 2.049 1.00 0.00 C ATOM 0 H ILE A 58 5.206 -5.228 4.403 1.00 0.00 H new ATOM 0 HA ILE A 58 2.732 -5.011 5.974 1.00 0.00 H new ATOM 0 HB ILE A 58 3.065 -6.529 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.093 -4.335 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.637 -4.013 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.725 -7.224 3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.784 -7.835 4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.724 -6.438 5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.844 -4.125 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.008 -5.449 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.440 -5.775 2.158 1.00 0.00 H new ATOM 789 N GLU A 59 3.151 -7.267 7.014 1.00 0.00 N ATOM 790 CA GLU A 59 3.539 -8.456 7.763 1.00 0.00 C ATOM 791 C GLU A 59 2.408 -9.480 7.784 1.00 0.00 C ATOM 792 O GLU A 59 1.318 -9.227 7.274 1.00 0.00 O ATOM 793 CB GLU A 59 3.929 -8.080 9.194 1.00 0.00 C ATOM 794 CG GLU A 59 5.322 -7.486 9.310 1.00 0.00 C ATOM 795 CD GLU A 59 5.894 -7.607 10.709 1.00 0.00 C ATOM 796 OE1 GLU A 59 6.000 -8.747 11.210 1.00 0.00 O ATOM 797 OE2 GLU A 59 6.235 -6.564 11.304 1.00 0.00 O ATOM 0 H GLU A 59 2.314 -6.802 7.365 1.00 0.00 H new ATOM 0 HA GLU A 59 4.400 -8.902 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.205 -7.364 9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.869 -8.968 9.823 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.986 -7.987 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.289 -6.434 9.025 1.00 0.00 H new ATOM 804 N GLY A 60 2.677 -10.638 8.379 1.00 0.00 N ATOM 805 CA GLY A 60 1.673 -11.684 8.455 1.00 0.00 C ATOM 806 C GLY A 60 2.281 -13.072 8.451 1.00 0.00 C ATOM 807 O GLY A 60 3.451 -13.262 8.784 1.00 0.00 O ATOM 0 H GLY A 60 3.572 -10.871 8.810 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.083 -11.552 9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.988 -11.588 7.612 1.00 0.00 H new ATOM 811 N PRO A 61 1.475 -14.074 8.069 1.00 0.00 N ATOM 812 CA PRO A 61 1.918 -15.470 8.015 1.00 0.00 C ATOM 813 C PRO A 61 2.920 -15.717 6.892 1.00 0.00 C ATOM 814 O PRO A 61 3.563 -16.765 6.841 1.00 0.00 O ATOM 815 CB PRO A 61 0.623 -16.244 7.755 1.00 0.00 C ATOM 816 CG PRO A 61 -0.274 -15.265 7.079 1.00 0.00 C ATOM 817 CD PRO A 61 0.069 -13.920 7.659 1.00 0.00 C ATOM 0 HA PRO A 61 2.434 -15.769 8.928 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.802 -17.116 7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.185 -16.606 8.685 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.120 -15.275 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.322 -15.510 7.254 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.051 -13.123 6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.572 -13.672 8.505 1.00 0.00 H new ATOM 825 N SER A 62 3.048 -14.745 5.995 1.00 0.00 N ATOM 826 CA SER A 62 3.970 -14.859 4.871 1.00 0.00 C ATOM 827 C SER A 62 4.492 -13.487 4.455 1.00 0.00 C ATOM 828 O SER A 62 3.850 -12.465 4.698 1.00 0.00 O ATOM 829 CB SER A 62 3.280 -15.535 3.684 1.00 0.00 C ATOM 830 OG SER A 62 4.217 -16.222 2.873 1.00 0.00 O ATOM 0 H SER A 62 2.525 -13.870 6.025 1.00 0.00 H new ATOM 0 HA SER A 62 4.815 -15.470 5.188 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.527 -16.234 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.758 -14.786 3.088 1.00 0.00 H new ATOM 0 HG SER A 62 3.816 -17.052 2.541 1.00 0.00 H new ATOM 836 N LYS A 63 5.663 -13.472 3.827 1.00 0.00 N ATOM 837 CA LYS A 63 6.274 -12.227 3.376 1.00 0.00 C ATOM 838 C LYS A 63 5.850 -11.899 1.948 1.00 0.00 C ATOM 839 O LYS A 63 6.330 -12.508 0.992 1.00 0.00 O ATOM 840 CB LYS A 63 7.799 -12.325 3.456 1.00 0.00 C ATOM 841 CG LYS A 63 8.517 -11.107 2.900 1.00 0.00 C ATOM 842 CD LYS A 63 10.008 -11.357 2.755 1.00 0.00 C ATOM 843 CE LYS A 63 10.332 -12.043 1.436 1.00 0.00 C ATOM 844 NZ LYS A 63 10.143 -13.518 1.517 1.00 0.00 N ATOM 0 H LYS A 63 6.208 -14.309 3.619 1.00 0.00 H new ATOM 0 HA LYS A 63 5.932 -11.426 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.092 -12.465 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.127 -13.210 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.095 -10.846 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.352 -10.254 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.544 -10.410 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.357 -11.974 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.695 -11.638 0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.362 -11.824 1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.880 -13.994 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.210 -13.823 2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.207 -13.769 1.140 1.00 0.00 H new ATOM 858 N ALA A 64 4.948 -10.933 1.810 1.00 0.00 N ATOM 859 CA ALA A 64 4.462 -10.522 0.499 1.00 0.00 C ATOM 860 C ALA A 64 5.223 -9.304 -0.012 1.00 0.00 C ATOM 861 O ALA A 64 5.701 -8.486 0.774 1.00 0.00 O ATOM 862 CB ALA A 64 2.970 -10.229 0.557 1.00 0.00 C ATOM 0 H ALA A 64 4.539 -10.420 2.591 1.00 0.00 H new ATOM 0 HA ALA A 64 4.633 -11.343 -0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.621 -9.923 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.435 -11.126 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.784 -9.428 1.272 1.00 0.00 H new ATOM 868 N GLU A 65 5.331 -9.189 -1.332 1.00 0.00 N ATOM 869 CA GLU A 65 6.036 -8.070 -1.945 1.00 0.00 C ATOM 870 C GLU A 65 5.128 -6.849 -2.055 1.00 0.00 C ATOM 871 O GLU A 65 3.904 -6.975 -2.100 1.00 0.00 O ATOM 872 CB GLU A 65 6.552 -8.462 -3.332 1.00 0.00 C ATOM 873 CG GLU A 65 7.529 -9.626 -3.311 1.00 0.00 C ATOM 874 CD GLU A 65 7.515 -10.422 -4.602 1.00 0.00 C ATOM 875 OE1 GLU A 65 6.668 -11.331 -4.728 1.00 0.00 O ATOM 876 OE2 GLU A 65 8.350 -10.136 -5.485 1.00 0.00 O ATOM 0 H GLU A 65 4.940 -9.857 -1.997 1.00 0.00 H new ATOM 0 HA GLU A 65 6.883 -7.815 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.704 -8.722 -3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.038 -7.599 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.536 -9.248 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.284 -10.286 -2.479 1.00 0.00 H new ATOM 883 N ILE A 66 5.736 -5.668 -2.096 1.00 0.00 N ATOM 884 CA ILE A 66 4.982 -4.425 -2.201 1.00 0.00 C ATOM 885 C ILE A 66 5.489 -3.571 -3.359 1.00 0.00 C ATOM 886 O ILE A 66 6.606 -3.056 -3.321 1.00 0.00 O ATOM 887 CB ILE A 66 5.065 -3.606 -0.900 1.00 0.00 C ATOM 888 CG1 ILE A 66 4.443 -4.386 0.260 1.00 0.00 C ATOM 889 CG2 ILE A 66 4.370 -2.263 -1.074 1.00 0.00 C ATOM 890 CD1 ILE A 66 4.952 -3.959 1.619 1.00 0.00 C ATOM 0 H ILE A 66 6.748 -5.546 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 66 3.943 -4.700 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 66 6.115 -3.423 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.360 -4.262 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.646 -5.448 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.437 -1.696 -0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.853 -1.705 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.322 -2.426 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.467 -4.555 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.030 -4.109 1.667 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.725 -2.905 1.778 1.00 0.00 H new ATOM 902 N SER A 67 4.658 -3.424 -4.386 1.00 0.00 N ATOM 903 CA SER A 67 5.022 -2.634 -5.556 1.00 0.00 C ATOM 904 C SER A 67 4.421 -1.234 -5.475 1.00 0.00 C ATOM 905 O SER A 67 3.330 -0.985 -5.990 1.00 0.00 O ATOM 906 CB SER A 67 4.551 -3.330 -6.835 1.00 0.00 C ATOM 907 OG SER A 67 3.137 -3.392 -6.890 1.00 0.00 O ATOM 0 H SER A 67 3.728 -3.842 -4.431 1.00 0.00 H new ATOM 0 HA SER A 67 6.108 -2.544 -5.579 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.929 -2.793 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.964 -4.338 -6.878 1.00 0.00 H new ATOM 0 HG SER A 67 2.764 -2.502 -6.720 1.00 0.00 H new ATOM 913 N CYS A 68 5.139 -0.325 -4.826 1.00 0.00 N ATOM 914 CA CYS A 68 4.677 1.050 -4.675 1.00 0.00 C ATOM 915 C CYS A 68 4.784 1.806 -5.995 1.00 0.00 C ATOM 916 O CYS A 68 5.804 1.736 -6.682 1.00 0.00 O ATOM 917 CB CYS A 68 5.489 1.767 -3.596 1.00 0.00 C ATOM 918 SG CYS A 68 5.100 3.525 -3.425 1.00 0.00 S ATOM 0 H CYS A 68 6.044 -0.515 -4.396 1.00 0.00 H new ATOM 0 HA CYS A 68 3.630 1.025 -4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 68 5.318 1.273 -2.639 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.550 1.661 -3.824 1.00 0.00 H new ATOM 0 HG CYS A 68 5.836 4.043 -2.487 1.00 0.00 H new ATOM 924 N ILE A 69 3.724 2.528 -6.345 1.00 0.00 N ATOM 925 CA ILE A 69 3.699 3.297 -7.583 1.00 0.00 C ATOM 926 C ILE A 69 3.045 4.658 -7.372 1.00 0.00 C ATOM 927 O ILE A 69 1.941 4.751 -6.834 1.00 0.00 O ATOM 928 CB ILE A 69 2.947 2.546 -8.697 1.00 0.00 C ATOM 929 CG1 ILE A 69 3.616 1.199 -8.976 1.00 0.00 C ATOM 930 CG2 ILE A 69 2.893 3.389 -9.962 1.00 0.00 C ATOM 931 CD1 ILE A 69 2.732 0.228 -9.728 1.00 0.00 C ATOM 0 H ILE A 69 2.872 2.596 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 69 4.736 3.438 -7.887 1.00 0.00 H new ATOM 0 HB ILE A 69 1.926 2.361 -8.364 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.527 1.367 -9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.914 0.748 -8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.358 2.844 -10.740 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.375 4.325 -9.753 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.907 3.603 -10.300 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.272 -0.705 -9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.832 0.030 -9.146 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.454 0.659 -10.690 1.00 0.00 H new ATOM 943 N ASP A 70 3.732 5.711 -7.800 1.00 0.00 N ATOM 944 CA ASP A 70 3.216 7.068 -7.660 1.00 0.00 C ATOM 945 C ASP A 70 2.602 7.553 -8.970 1.00 0.00 C ATOM 946 O ASP A 70 3.119 7.275 -10.050 1.00 0.00 O ATOM 947 CB ASP A 70 4.333 8.018 -7.224 1.00 0.00 C ATOM 948 CG ASP A 70 3.912 9.474 -7.286 1.00 0.00 C ATOM 949 OD1 ASP A 70 2.835 9.803 -6.746 1.00 0.00 O ATOM 950 OD2 ASP A 70 4.660 10.283 -7.873 1.00 0.00 O ATOM 0 H ASP A 70 4.647 5.651 -8.247 1.00 0.00 H new ATOM 0 HA ASP A 70 2.438 7.058 -6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.637 7.774 -6.206 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.204 7.867 -7.862 1.00 0.00 H new ATOM 955 N ASN A 71 1.494 8.280 -8.864 1.00 0.00 N ATOM 956 CA ASN A 71 0.807 8.802 -10.040 1.00 0.00 C ATOM 957 C ASN A 71 1.125 10.281 -10.243 1.00 0.00 C ATOM 958 O ASN A 71 1.874 10.879 -9.470 1.00 0.00 O ATOM 959 CB ASN A 71 -0.704 8.609 -9.902 1.00 0.00 C ATOM 960 CG ASN A 71 -1.064 7.239 -9.360 1.00 0.00 C ATOM 961 OD1 ASN A 71 -1.855 7.117 -8.425 1.00 0.00 O ATOM 962 ND2 ASN A 71 -0.484 6.199 -9.948 1.00 0.00 N ATOM 0 H ASN A 71 1.053 8.521 -7.976 1.00 0.00 H new ATOM 0 HA ASN A 71 1.159 8.249 -10.911 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.107 9.376 -9.240 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.176 8.747 -10.875 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.688 5.253 -9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.166 6.347 -10.720 1.00 0.00 H new ATOM 969 N LYS A 72 0.550 10.865 -11.289 1.00 0.00 N ATOM 970 CA LYS A 72 0.770 12.274 -11.595 1.00 0.00 C ATOM 971 C LYS A 72 -0.494 13.089 -11.340 1.00 0.00 C ATOM 972 O LYS A 72 -0.484 14.316 -11.445 1.00 0.00 O ATOM 973 CB LYS A 72 1.210 12.438 -13.051 1.00 0.00 C ATOM 974 CG LYS A 72 2.646 12.014 -13.304 1.00 0.00 C ATOM 975 CD LYS A 72 2.756 10.513 -13.513 1.00 0.00 C ATOM 976 CE LYS A 72 4.194 10.036 -13.382 1.00 0.00 C ATOM 977 NZ LYS A 72 5.066 10.605 -14.447 1.00 0.00 N ATOM 0 H LYS A 72 -0.072 10.384 -11.939 1.00 0.00 H new ATOM 0 HA LYS A 72 1.559 12.644 -10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.549 11.852 -13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.092 13.482 -13.342 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.030 12.534 -14.182 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.268 12.311 -12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.132 9.996 -12.783 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.374 10.253 -14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.583 10.319 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.222 8.948 -13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.030 10.230 -14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.690 10.342 -15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.087 11.641 -14.362 1.00 0.00 H new ATOM 991 N ASP A 73 -1.579 12.400 -11.003 1.00 0.00 N ATOM 992 CA ASP A 73 -2.850 13.061 -10.730 1.00 0.00 C ATOM 993 C ASP A 73 -2.895 13.581 -9.296 1.00 0.00 C ATOM 994 O ASP A 73 -3.306 14.714 -9.048 1.00 0.00 O ATOM 995 CB ASP A 73 -4.012 12.098 -10.973 1.00 0.00 C ATOM 996 CG ASP A 73 -4.113 11.029 -9.903 1.00 0.00 C ATOM 997 OD1 ASP A 73 -3.139 10.264 -9.735 1.00 0.00 O ATOM 998 OD2 ASP A 73 -5.164 10.957 -9.233 1.00 0.00 O ATOM 0 H ASP A 73 -1.604 11.384 -10.912 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.944 13.909 -11.408 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.945 12.661 -11.009 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.889 11.623 -11.946 1.00 0.00 H new ATOM 1003 N GLY A 74 -2.471 12.743 -8.354 1.00 0.00 N ATOM 1004 CA GLY A 74 -2.473 13.135 -6.957 1.00 0.00 C ATOM 1005 C GLY A 74 -2.788 11.977 -6.031 1.00 0.00 C ATOM 1006 O GLY A 74 -3.409 12.161 -4.983 1.00 0.00 O ATOM 0 H GLY A 74 -2.126 11.800 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.499 13.549 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.206 13.927 -6.806 1.00 0.00 H new ATOM 1010 N THR A 75 -2.359 10.779 -6.416 1.00 0.00 N ATOM 1011 CA THR A 75 -2.602 9.587 -5.614 1.00 0.00 C ATOM 1012 C THR A 75 -1.422 8.624 -5.691 1.00 0.00 C ATOM 1013 O THR A 75 -0.412 8.914 -6.333 1.00 0.00 O ATOM 1014 CB THR A 75 -3.878 8.854 -6.068 1.00 0.00 C ATOM 1015 OG1 THR A 75 -3.875 8.701 -7.492 1.00 0.00 O ATOM 1016 CG2 THR A 75 -5.122 9.617 -5.638 1.00 0.00 C ATOM 0 H THR A 75 -1.842 10.609 -7.278 1.00 0.00 H new ATOM 0 HA THR A 75 -2.731 9.920 -4.584 1.00 0.00 H new ATOM 0 HB THR A 75 -3.893 7.871 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.067 8.220 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.011 9.080 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.137 9.707 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.111 10.612 -6.084 1.00 0.00 H new ATOM 1024 N CYS A 76 -1.557 7.478 -5.032 1.00 0.00 N ATOM 1025 CA CYS A 76 -0.501 6.472 -5.026 1.00 0.00 C ATOM 1026 C CYS A 76 -1.084 5.070 -5.174 1.00 0.00 C ATOM 1027 O CYS A 76 -1.968 4.670 -4.415 1.00 0.00 O ATOM 1028 CB CYS A 76 0.313 6.565 -3.735 1.00 0.00 C ATOM 1029 SG CYS A 76 1.970 5.849 -3.853 1.00 0.00 S ATOM 0 H CYS A 76 -2.386 7.223 -4.496 1.00 0.00 H new ATOM 0 HA CYS A 76 0.155 6.664 -5.875 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.401 7.613 -3.449 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.233 6.061 -2.937 1.00 0.00 H new ATOM 0 HG CYS A 76 2.139 5.338 -5.036 1.00 0.00 H new ATOM 1035 N THR A 77 -0.586 4.328 -6.157 1.00 0.00 N ATOM 1036 CA THR A 77 -1.059 2.972 -6.407 1.00 0.00 C ATOM 1037 C THR A 77 -0.107 1.939 -5.815 1.00 0.00 C ATOM 1038 O THR A 77 1.082 1.921 -6.134 1.00 0.00 O ATOM 1039 CB THR A 77 -1.218 2.702 -7.915 1.00 0.00 C ATOM 1040 OG1 THR A 77 -2.030 3.719 -8.512 1.00 0.00 O ATOM 1041 CG2 THR A 77 -1.846 1.337 -8.157 1.00 0.00 C ATOM 0 H THR A 77 0.146 4.643 -6.794 1.00 0.00 H new ATOM 0 HA THR A 77 -2.032 2.883 -5.925 1.00 0.00 H new ATOM 0 HB THR A 77 -0.228 2.715 -8.370 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.125 3.541 -9.471 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.948 1.168 -9.229 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.211 0.563 -7.727 1.00 0.00 H new ATOM 0 HG23 THR A 77 -2.830 1.301 -7.688 1.00 0.00 H new ATOM 1049 N VAL A 78 -0.637 1.080 -4.950 1.00 0.00 N ATOM 1050 CA VAL A 78 0.165 0.042 -4.315 1.00 0.00 C ATOM 1051 C VAL A 78 -0.467 -1.333 -4.500 1.00 0.00 C ATOM 1052 O VAL A 78 -1.559 -1.599 -3.997 1.00 0.00 O ATOM 1053 CB VAL A 78 0.344 0.314 -2.809 1.00 0.00 C ATOM 1054 CG1 VAL A 78 1.261 -0.726 -2.183 1.00 0.00 C ATOM 1055 CG2 VAL A 78 0.884 1.718 -2.582 1.00 0.00 C ATOM 0 H VAL A 78 -1.619 1.083 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 78 1.142 0.057 -4.799 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.631 0.241 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.375 -0.517 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.829 -1.718 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.237 -0.689 -2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.004 1.893 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.849 1.821 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.186 2.447 -2.993 1.00 0.00 H new ATOM 1065 N THR A 79 0.227 -2.205 -5.225 1.00 0.00 N ATOM 1066 CA THR A 79 -0.266 -3.553 -5.477 1.00 0.00 C ATOM 1067 C THR A 79 0.537 -4.587 -4.698 1.00 0.00 C ATOM 1068 O THR A 79 1.755 -4.469 -4.564 1.00 0.00 O ATOM 1069 CB THR A 79 -0.211 -3.899 -6.977 1.00 0.00 C ATOM 1070 OG1 THR A 79 -0.840 -2.865 -7.742 1.00 0.00 O ATOM 1071 CG2 THR A 79 -0.898 -5.229 -7.251 1.00 0.00 C ATOM 0 H THR A 79 1.133 -2.001 -5.648 1.00 0.00 H new ATOM 0 HA THR A 79 -1.303 -3.578 -5.144 1.00 0.00 H new ATOM 0 HB THR A 79 0.836 -3.981 -7.270 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.799 -3.092 -8.694 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.847 -5.452 -8.317 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.398 -6.019 -6.690 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.942 -5.170 -6.943 1.00 0.00 H new ATOM 1079 N TYR A 80 -0.151 -5.602 -4.187 1.00 0.00 N ATOM 1080 CA TYR A 80 0.499 -6.657 -3.419 1.00 0.00 C ATOM 1081 C TYR A 80 -0.220 -7.990 -3.607 1.00 0.00 C ATOM 1082 O TYR A 80 -1.442 -8.035 -3.750 1.00 0.00 O ATOM 1083 CB TYR A 80 0.534 -6.289 -1.935 1.00 0.00 C ATOM 1084 CG TYR A 80 -0.785 -6.502 -1.227 1.00 0.00 C ATOM 1085 CD1 TYR A 80 -1.748 -5.501 -1.195 1.00 0.00 C ATOM 1086 CD2 TYR A 80 -1.067 -7.704 -0.589 1.00 0.00 C ATOM 1087 CE1 TYR A 80 -2.954 -5.691 -0.549 1.00 0.00 C ATOM 1088 CE2 TYR A 80 -2.271 -7.903 0.059 1.00 0.00 C ATOM 1089 CZ TYR A 80 -3.211 -6.893 0.076 1.00 0.00 C ATOM 1090 OH TYR A 80 -4.411 -7.087 0.721 1.00 0.00 O ATOM 0 H TYR A 80 -1.159 -5.716 -4.291 1.00 0.00 H new ATOM 0 HA TYR A 80 1.520 -6.761 -3.785 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.302 -6.883 -1.440 1.00 0.00 H new ATOM 0 HB3 TYR A 80 0.826 -5.243 -1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -1.550 -4.558 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.333 -8.496 -0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.692 -4.902 -0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.475 -8.843 0.549 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.008 -6.333 0.534 1.00 0.00 H new ATOM 1100 N LEU A 81 0.548 -9.074 -3.606 1.00 0.00 N ATOM 1101 CA LEU A 81 -0.013 -10.409 -3.775 1.00 0.00 C ATOM 1102 C LEU A 81 0.250 -11.271 -2.545 1.00 0.00 C ATOM 1103 O LEU A 81 1.394 -11.517 -2.162 1.00 0.00 O ATOM 1104 CB LEU A 81 0.578 -11.079 -5.017 1.00 0.00 C ATOM 1105 CG LEU A 81 0.113 -12.509 -5.294 1.00 0.00 C ATOM 1106 CD1 LEU A 81 -1.131 -12.506 -6.169 1.00 0.00 C ATOM 1107 CD2 LEU A 81 1.226 -13.314 -5.950 1.00 0.00 C ATOM 0 H LEU A 81 1.561 -9.054 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.091 -10.309 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.337 -10.466 -5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.664 -11.084 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.137 -12.980 -4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.447 -13.532 -6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.931 -11.966 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.908 -12.017 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.877 -14.329 -6.140 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.507 -12.845 -6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.091 -13.345 -5.288 1.00 0.00 H new ATOM 1119 N PRO A 82 -0.833 -11.743 -1.910 1.00 0.00 N ATOM 1120 CA PRO A 82 -0.745 -12.587 -0.714 1.00 0.00 C ATOM 1121 C PRO A 82 -0.200 -13.977 -1.026 1.00 0.00 C ATOM 1122 O PRO A 82 -0.444 -14.525 -2.101 1.00 0.00 O ATOM 1123 CB PRO A 82 -2.196 -12.676 -0.235 1.00 0.00 C ATOM 1124 CG PRO A 82 -3.014 -12.448 -1.459 1.00 0.00 C ATOM 1125 CD PRO A 82 -2.227 -11.490 -2.310 1.00 0.00 C ATOM 0 HA PRO A 82 -0.062 -12.174 0.028 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.408 -13.650 0.207 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.408 -11.927 0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.193 -13.384 -1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.990 -12.034 -1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.380 -11.678 -3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.517 -10.456 -2.124 1.00 0.00 H new ATOM 1133 N THR A 83 0.539 -14.545 -0.077 1.00 0.00 N ATOM 1134 CA THR A 83 1.118 -15.871 -0.250 1.00 0.00 C ATOM 1135 C THR A 83 0.357 -16.913 0.560 1.00 0.00 C ATOM 1136 O THR A 83 0.389 -18.104 0.246 1.00 0.00 O ATOM 1137 CB THR A 83 2.601 -15.895 0.167 1.00 0.00 C ATOM 1138 OG1 THR A 83 3.296 -14.795 -0.431 1.00 0.00 O ATOM 1139 CG2 THR A 83 3.259 -17.202 -0.248 1.00 0.00 C ATOM 0 H THR A 83 0.750 -14.106 0.819 1.00 0.00 H new ATOM 0 HA THR A 83 1.042 -16.113 -1.310 1.00 0.00 H new ATOM 0 HB THR A 83 2.651 -15.810 1.252 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.237 -14.816 -0.160 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.305 -17.195 0.057 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.746 -18.036 0.232 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.197 -17.313 -1.331 1.00 0.00 H new ATOM 1147 N LEU A 84 -0.327 -16.460 1.605 1.00 0.00 N ATOM 1148 CA LEU A 84 -1.098 -17.354 2.461 1.00 0.00 C ATOM 1149 C LEU A 84 -2.245 -16.608 3.136 1.00 0.00 C ATOM 1150 O LEU A 84 -2.118 -15.447 3.526 1.00 0.00 O ATOM 1151 CB LEU A 84 -0.192 -17.985 3.520 1.00 0.00 C ATOM 1152 CG LEU A 84 0.962 -18.838 2.993 1.00 0.00 C ATOM 1153 CD1 LEU A 84 1.958 -19.133 4.104 1.00 0.00 C ATOM 1154 CD2 LEU A 84 0.437 -20.132 2.388 1.00 0.00 C ATOM 0 H LEU A 84 -0.363 -15.478 1.880 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.519 -18.141 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.224 -17.187 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.807 -18.604 4.173 1.00 0.00 H new ATOM 0 HG LEU A 84 1.475 -18.277 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.772 -19.741 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.359 -18.196 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.457 -19.673 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.273 -20.726 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.101 -20.697 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.237 -19.901 1.563 1.00 0.00 H new ATOM 1166 N PRO A 85 -3.391 -17.290 3.280 1.00 0.00 N ATOM 1167 CA PRO A 85 -4.582 -16.712 3.910 1.00 0.00 C ATOM 1168 C PRO A 85 -4.401 -16.506 5.410 1.00 0.00 C ATOM 1169 O PRO A 85 -4.200 -17.462 6.158 1.00 0.00 O ATOM 1170 CB PRO A 85 -5.668 -17.756 3.641 1.00 0.00 C ATOM 1171 CG PRO A 85 -4.928 -19.038 3.473 1.00 0.00 C ATOM 1172 CD PRO A 85 -3.613 -18.677 2.839 1.00 0.00 C ATOM 0 HA PRO A 85 -4.814 -15.724 3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.376 -17.813 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.241 -17.510 2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.776 -19.530 4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.487 -19.732 2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.812 -19.337 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.657 -18.751 1.752 1.00 0.00 H new ATOM 1180 N GLY A 86 -4.475 -15.252 5.845 1.00 0.00 N ATOM 1181 CA GLY A 86 -4.318 -14.944 7.254 1.00 0.00 C ATOM 1182 C GLY A 86 -4.271 -13.453 7.520 1.00 0.00 C ATOM 1183 O GLY A 86 -3.944 -12.667 6.631 1.00 0.00 O ATOM 0 H GLY A 86 -4.641 -14.443 5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.144 -15.384 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.402 -15.405 7.624 1.00 0.00 H new ATOM 1187 N ASP A 87 -4.599 -13.061 8.746 1.00 0.00 N ATOM 1188 CA ASP A 87 -4.593 -11.654 9.127 1.00 0.00 C ATOM 1189 C ASP A 87 -3.276 -10.990 8.736 1.00 0.00 C ATOM 1190 O ASP A 87 -2.212 -11.356 9.237 1.00 0.00 O ATOM 1191 CB ASP A 87 -4.824 -11.509 10.632 1.00 0.00 C ATOM 1192 CG ASP A 87 -3.919 -12.414 11.446 1.00 0.00 C ATOM 1193 OD1 ASP A 87 -4.145 -13.642 11.439 1.00 0.00 O ATOM 1194 OD2 ASP A 87 -2.984 -11.893 12.089 1.00 0.00 O ATOM 0 H ASP A 87 -4.873 -13.699 9.494 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.403 -11.156 8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.655 -10.473 10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.865 -11.739 10.861 1.00 0.00 H new ATOM 1199 N TYR A 88 -3.355 -10.015 7.838 1.00 0.00 N ATOM 1200 CA TYR A 88 -2.169 -9.303 7.376 1.00 0.00 C ATOM 1201 C TYR A 88 -2.073 -7.926 8.027 1.00 0.00 C ATOM 1202 O TYR A 88 -2.988 -7.110 7.917 1.00 0.00 O ATOM 1203 CB TYR A 88 -2.195 -9.159 5.854 1.00 0.00 C ATOM 1204 CG TYR A 88 -1.652 -10.366 5.122 1.00 0.00 C ATOM 1205 CD1 TYR A 88 -0.292 -10.495 4.868 1.00 0.00 C ATOM 1206 CD2 TYR A 88 -2.499 -11.377 4.686 1.00 0.00 C ATOM 1207 CE1 TYR A 88 0.208 -11.596 4.200 1.00 0.00 C ATOM 1208 CE2 TYR A 88 -2.007 -12.482 4.018 1.00 0.00 C ATOM 1209 CZ TYR A 88 -0.653 -12.587 3.777 1.00 0.00 C ATOM 1210 OH TYR A 88 -0.159 -13.685 3.112 1.00 0.00 O ATOM 0 H TYR A 88 -4.228 -9.699 7.415 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.293 -9.884 7.664 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.221 -8.980 5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.614 -8.281 5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.386 -9.722 5.198 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.560 -11.298 4.872 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.268 -11.680 4.010 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.679 -13.259 3.686 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.607 -14.493 3.437 1.00 0.00 H new ATOM 1220 N SER A 89 -0.957 -7.676 8.704 1.00 0.00 N ATOM 1221 CA SER A 89 -0.740 -6.399 9.375 1.00 0.00 C ATOM 1222 C SER A 89 -0.006 -5.423 8.462 1.00 0.00 C ATOM 1223 O SER A 89 1.220 -5.460 8.353 1.00 0.00 O ATOM 1224 CB SER A 89 0.056 -6.606 10.665 1.00 0.00 C ATOM 1225 OG SER A 89 -0.581 -7.546 11.513 1.00 0.00 O ATOM 0 H SER A 89 -0.189 -8.340 8.803 1.00 0.00 H new ATOM 0 HA SER A 89 -1.714 -5.976 9.621 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.061 -6.952 10.424 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.163 -5.655 11.187 1.00 0.00 H new ATOM 0 HG SER A 89 -0.051 -7.662 12.329 1.00 0.00 H new ATOM 1231 N ILE A 90 -0.764 -4.550 7.807 1.00 0.00 N ATOM 1232 CA ILE A 90 -0.186 -3.563 6.904 1.00 0.00 C ATOM 1233 C ILE A 90 0.398 -2.386 7.678 1.00 0.00 C ATOM 1234 O ILE A 90 -0.300 -1.728 8.450 1.00 0.00 O ATOM 1235 CB ILE A 90 -1.231 -3.036 5.903 1.00 0.00 C ATOM 1236 CG1 ILE A 90 -1.771 -4.183 5.045 1.00 0.00 C ATOM 1237 CG2 ILE A 90 -0.624 -1.952 5.025 1.00 0.00 C ATOM 1238 CD1 ILE A 90 -3.127 -3.897 4.440 1.00 0.00 C ATOM 0 H ILE A 90 -1.780 -4.506 7.885 1.00 0.00 H new ATOM 0 HA ILE A 90 0.610 -4.065 6.355 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.061 -2.602 6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.062 -4.392 4.244 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.837 -5.083 5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.375 -1.590 4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.283 -1.126 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.221 -2.362 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.448 -4.752 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.850 -3.717 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.062 -3.015 3.802 1.00 0.00 H new ATOM 1250 N LEU A 91 1.683 -2.124 7.464 1.00 0.00 N ATOM 1251 CA LEU A 91 2.363 -1.024 8.140 1.00 0.00 C ATOM 1252 C LEU A 91 2.730 0.078 7.152 1.00 0.00 C ATOM 1253 O LEU A 91 3.709 -0.036 6.413 1.00 0.00 O ATOM 1254 CB LEU A 91 3.621 -1.533 8.845 1.00 0.00 C ATOM 1255 CG LEU A 91 3.398 -2.547 9.967 1.00 0.00 C ATOM 1256 CD1 LEU A 91 4.579 -3.500 10.068 1.00 0.00 C ATOM 1257 CD2 LEU A 91 3.171 -1.835 11.293 1.00 0.00 C ATOM 0 H LEU A 91 2.275 -2.658 6.828 1.00 0.00 H new ATOM 0 HA LEU A 91 1.681 -0.609 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.274 -1.985 8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.154 -0.676 9.257 1.00 0.00 H new ATOM 0 HG LEU A 91 2.507 -3.129 9.732 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.402 -4.214 10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.696 -4.036 9.126 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.486 -2.934 10.279 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.014 -2.573 12.080 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.043 -1.228 11.534 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.293 -1.194 11.216 1.00 0.00 H new ATOM 1269 N VAL A 92 1.940 1.147 7.145 1.00 0.00 N ATOM 1270 CA VAL A 92 2.183 2.272 6.250 1.00 0.00 C ATOM 1271 C VAL A 92 2.600 3.514 7.029 1.00 0.00 C ATOM 1272 O VAL A 92 1.998 3.852 8.049 1.00 0.00 O ATOM 1273 CB VAL A 92 0.935 2.601 5.410 1.00 0.00 C ATOM 1274 CG1 VAL A 92 1.216 3.763 4.469 1.00 0.00 C ATOM 1275 CG2 VAL A 92 0.477 1.375 4.634 1.00 0.00 C ATOM 0 H VAL A 92 1.126 1.258 7.749 1.00 0.00 H new ATOM 0 HA VAL A 92 2.993 1.976 5.583 1.00 0.00 H new ATOM 0 HB VAL A 92 0.132 2.897 6.085 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.323 3.981 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.493 4.643 5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.034 3.499 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.406 1.626 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.275 1.047 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.233 0.573 5.331 1.00 0.00 H new ATOM 1285 N LYS A 93 3.634 4.192 6.543 1.00 0.00 N ATOM 1286 CA LYS A 93 4.132 5.398 7.192 1.00 0.00 C ATOM 1287 C LYS A 93 4.406 6.494 6.167 1.00 0.00 C ATOM 1288 O LYS A 93 4.620 6.215 4.988 1.00 0.00 O ATOM 1289 CB LYS A 93 5.409 5.090 7.978 1.00 0.00 C ATOM 1290 CG LYS A 93 5.151 4.653 9.410 1.00 0.00 C ATOM 1291 CD LYS A 93 6.301 5.037 10.325 1.00 0.00 C ATOM 1292 CE LYS A 93 7.479 4.087 10.170 1.00 0.00 C ATOM 1293 NZ LYS A 93 8.287 3.997 11.418 1.00 0.00 N ATOM 0 H LYS A 93 4.144 3.926 5.701 1.00 0.00 H new ATOM 0 HA LYS A 93 3.365 5.752 7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.963 4.306 7.462 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.043 5.976 7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.230 5.110 9.771 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.005 3.573 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.621 6.055 10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.961 5.030 11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.113 3.096 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.113 4.425 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.080 3.340 11.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.657 4.938 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.689 3.650 12.195 1.00 0.00 H new ATOM 1307 N TYR A 94 4.398 7.741 6.625 1.00 0.00 N ATOM 1308 CA TYR A 94 4.644 8.879 5.747 1.00 0.00 C ATOM 1309 C TYR A 94 5.583 9.884 6.408 1.00 0.00 C ATOM 1310 O TYR A 94 5.213 10.555 7.371 1.00 0.00 O ATOM 1311 CB TYR A 94 3.326 9.562 5.380 1.00 0.00 C ATOM 1312 CG TYR A 94 3.505 10.885 4.670 1.00 0.00 C ATOM 1313 CD1 TYR A 94 4.374 11.005 3.593 1.00 0.00 C ATOM 1314 CD2 TYR A 94 2.808 12.015 5.078 1.00 0.00 C ATOM 1315 CE1 TYR A 94 4.543 12.212 2.942 1.00 0.00 C ATOM 1316 CE2 TYR A 94 2.969 13.225 4.433 1.00 0.00 C ATOM 1317 CZ TYR A 94 3.837 13.319 3.365 1.00 0.00 C ATOM 1318 OH TYR A 94 4.001 14.523 2.720 1.00 0.00 O ATOM 0 H TYR A 94 4.224 7.989 7.599 1.00 0.00 H new ATOM 0 HA TYR A 94 5.118 8.508 4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.745 8.894 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.745 9.723 6.288 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.927 10.140 3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.128 11.946 5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.224 12.288 2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 94 2.418 14.093 4.763 1.00 0.00 H new ATOM 0 HH TYR A 94 3.431 15.200 3.141 1.00 0.00 H new ATOM 1328 N ASN A 95 6.800 9.981 5.883 1.00 0.00 N ATOM 1329 CA ASN A 95 7.793 10.904 6.420 1.00 0.00 C ATOM 1330 C ASN A 95 8.075 10.604 7.890 1.00 0.00 C ATOM 1331 O ASN A 95 8.256 11.516 8.696 1.00 0.00 O ATOM 1332 CB ASN A 95 7.314 12.349 6.266 1.00 0.00 C ATOM 1333 CG ASN A 95 7.541 12.887 4.866 1.00 0.00 C ATOM 1334 OD1 ASN A 95 6.591 13.204 4.150 1.00 0.00 O ATOM 1335 ND2 ASN A 95 8.804 12.991 4.470 1.00 0.00 N ATOM 0 H ASN A 95 7.122 9.432 5.086 1.00 0.00 H new ATOM 0 HA ASN A 95 8.717 10.773 5.856 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.252 12.405 6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 95 7.837 12.981 6.984 1.00 0.00 H new ATOM 0 HD21 ASN A 95 9.019 13.346 3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 95 9.560 12.716 5.098 1.00 0.00 H new ATOM 1342 N ASP A 96 8.110 9.320 8.229 1.00 0.00 N ATOM 1343 CA ASP A 96 8.371 8.899 9.601 1.00 0.00 C ATOM 1344 C ASP A 96 7.168 9.180 10.494 1.00 0.00 C ATOM 1345 O ASP A 96 7.301 9.771 11.567 1.00 0.00 O ATOM 1346 CB ASP A 96 9.608 9.613 10.149 1.00 0.00 C ATOM 1347 CG ASP A 96 10.689 9.787 9.101 1.00 0.00 C ATOM 1348 OD1 ASP A 96 11.306 8.773 8.713 1.00 0.00 O ATOM 1349 OD2 ASP A 96 10.919 10.936 8.670 1.00 0.00 O ATOM 0 H ASP A 96 7.961 8.553 7.573 1.00 0.00 H new ATOM 0 HA ASP A 96 8.553 7.824 9.597 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.319 10.591 10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 96 10.009 9.046 10.989 1.00 0.00 H new ATOM 1354 N LYS A 97 5.992 8.755 10.045 1.00 0.00 N ATOM 1355 CA LYS A 97 4.763 8.960 10.803 1.00 0.00 C ATOM 1356 C LYS A 97 3.694 7.953 10.390 1.00 0.00 C ATOM 1357 O LYS A 97 3.468 7.726 9.201 1.00 0.00 O ATOM 1358 CB LYS A 97 4.244 10.385 10.596 1.00 0.00 C ATOM 1359 CG LYS A 97 2.731 10.499 10.681 1.00 0.00 C ATOM 1360 CD LYS A 97 2.278 11.948 10.622 1.00 0.00 C ATOM 1361 CE LYS A 97 2.510 12.660 11.946 1.00 0.00 C ATOM 1362 NZ LYS A 97 1.589 12.170 13.008 1.00 0.00 N ATOM 0 H LYS A 97 5.864 8.266 9.159 1.00 0.00 H new ATOM 0 HA LYS A 97 4.988 8.811 11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.692 11.038 11.345 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.573 10.745 9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.276 9.941 9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.382 10.045 11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.817 12.467 9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.219 11.989 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.542 12.510 12.263 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.371 13.733 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.582 12.844 13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.628 12.082 12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.912 11.241 13.347 1.00 0.00 H new ATOM 1376 N HIS A 98 3.039 7.353 11.379 1.00 0.00 N ATOM 1377 CA HIS A 98 1.992 6.371 11.117 1.00 0.00 C ATOM 1378 C HIS A 98 0.658 7.060 10.844 1.00 0.00 C ATOM 1379 O HIS A 98 0.251 7.958 11.580 1.00 0.00 O ATOM 1380 CB HIS A 98 1.853 5.415 12.302 1.00 0.00 C ATOM 1381 CG HIS A 98 2.785 4.245 12.240 1.00 0.00 C ATOM 1382 ND1 HIS A 98 4.087 4.130 12.593 1.00 0.00 N flip ATOM 1383 CD2 HIS A 98 2.407 3.006 11.768 1.00 0.00 C flip ATOM 1384 CE1 HIS A 98 4.467 2.836 12.331 1.00 0.00 C flip ATOM 1385 NE2 HIS A 98 3.435 2.179 11.834 1.00 0.00 N flip ATOM 0 H HIS A 98 3.214 7.529 12.368 1.00 0.00 H new ATOM 0 HA HIS A 98 2.275 5.801 10.232 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.035 5.965 13.225 1.00 0.00 H new ATOM 0 HB3 HIS A 98 0.827 5.050 12.345 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.424 2.751 11.401 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.450 2.423 12.503 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.432 1.200 11.549 1.00 0.00 H new ATOM 1393 N ILE A 99 -0.015 6.632 9.781 1.00 0.00 N ATOM 1394 CA ILE A 99 -1.303 7.207 9.412 1.00 0.00 C ATOM 1395 C ILE A 99 -2.388 6.810 10.407 1.00 0.00 C ATOM 1396 O ILE A 99 -2.326 5.759 11.044 1.00 0.00 O ATOM 1397 CB ILE A 99 -1.731 6.767 8.000 1.00 0.00 C ATOM 1398 CG1 ILE A 99 -1.534 5.260 7.829 1.00 0.00 C ATOM 1399 CG2 ILE A 99 -0.945 7.532 6.945 1.00 0.00 C ATOM 1400 CD1 ILE A 99 -2.276 4.683 6.644 1.00 0.00 C ATOM 0 H ILE A 99 0.310 5.890 9.161 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.181 8.290 9.425 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.790 6.993 7.872 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.470 5.051 7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.865 4.754 8.736 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.259 7.210 5.952 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.132 8.600 7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.120 7.335 7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.090 3.611 6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.345 4.860 6.763 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.929 5.162 5.729 1.00 0.00 H new ATOM 1412 N PRO A 100 -3.409 7.670 10.544 1.00 0.00 N ATOM 1413 CA PRO A 100 -4.529 7.430 11.458 1.00 0.00 C ATOM 1414 C PRO A 100 -5.425 6.288 10.989 1.00 0.00 C ATOM 1415 O PRO A 100 -6.299 6.479 10.145 1.00 0.00 O ATOM 1416 CB PRO A 100 -5.296 8.754 11.435 1.00 0.00 C ATOM 1417 CG PRO A 100 -4.958 9.365 10.119 1.00 0.00 C ATOM 1418 CD PRO A 100 -3.548 8.942 9.815 1.00 0.00 C ATOM 0 HA PRO A 100 -4.189 7.136 12.451 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.369 8.591 11.532 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.996 9.400 12.260 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -5.643 9.024 9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -5.039 10.451 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -3.390 8.811 8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.824 9.682 10.156 1.00 0.00 H new ATOM 1426 N GLY A 101 -5.201 5.100 11.543 1.00 0.00 N ATOM 1427 CA GLY A 101 -5.997 3.945 11.169 1.00 0.00 C ATOM 1428 C GLY A 101 -5.154 2.701 10.971 1.00 0.00 C ATOM 1429 O GLY A 101 -5.686 1.609 10.771 1.00 0.00 O ATOM 0 H GLY A 101 -4.483 4.917 12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.743 3.756 11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.539 4.163 10.249 1.00 0.00 H new ATOM 1433 N SER A 102 -3.837 2.865 11.024 1.00 0.00 N ATOM 1434 CA SER A 102 -2.919 1.747 10.843 1.00 0.00 C ATOM 1435 C SER A 102 -2.340 1.297 12.181 1.00 0.00 C ATOM 1436 O SER A 102 -2.362 2.027 13.173 1.00 0.00 O ATOM 1437 CB SER A 102 -1.787 2.137 9.890 1.00 0.00 C ATOM 1438 OG SER A 102 -2.107 1.795 8.552 1.00 0.00 O ATOM 0 H SER A 102 -3.381 3.762 11.191 1.00 0.00 H new ATOM 0 HA SER A 102 -3.478 0.917 10.411 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.601 3.209 9.960 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.867 1.634 10.187 1.00 0.00 H new ATOM 0 HG SER A 102 -3.064 1.941 8.397 1.00 0.00 H new ATOM 1444 N PRO A 103 -1.808 0.066 12.211 1.00 0.00 N ATOM 1445 CA PRO A 103 -1.776 -0.811 11.037 1.00 0.00 C ATOM 1446 C PRO A 103 -3.163 -1.313 10.651 1.00 0.00 C ATOM 1447 O PRO A 103 -4.056 -1.411 11.494 1.00 0.00 O ATOM 1448 CB PRO A 103 -0.892 -1.976 11.489 1.00 0.00 C ATOM 1449 CG PRO A 103 -1.022 -1.997 12.973 1.00 0.00 C ATOM 1450 CD PRO A 103 -1.197 -0.564 13.393 1.00 0.00 C ATOM 0 HA PRO A 103 -1.404 -0.295 10.152 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -1.222 -2.917 11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.144 -1.828 11.184 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.875 -2.601 13.282 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -0.138 -2.434 13.436 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -1.838 -0.478 14.271 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.244 -0.101 13.648 1.00 0.00 H new ATOM 1458 N PHE A 104 -3.338 -1.632 9.373 1.00 0.00 N ATOM 1459 CA PHE A 104 -4.617 -2.124 8.875 1.00 0.00 C ATOM 1460 C PHE A 104 -4.696 -3.643 8.988 1.00 0.00 C ATOM 1461 O PHE A 104 -3.675 -4.326 9.079 1.00 0.00 O ATOM 1462 CB PHE A 104 -4.820 -1.698 7.420 1.00 0.00 C ATOM 1463 CG PHE A 104 -5.075 -0.227 7.256 1.00 0.00 C ATOM 1464 CD1 PHE A 104 -6.242 0.345 7.736 1.00 0.00 C ATOM 1465 CD2 PHE A 104 -4.148 0.584 6.621 1.00 0.00 C ATOM 1466 CE1 PHE A 104 -6.480 1.699 7.587 1.00 0.00 C ATOM 1467 CE2 PHE A 104 -4.380 1.938 6.469 1.00 0.00 C ATOM 1468 CZ PHE A 104 -5.548 2.496 6.952 1.00 0.00 C ATOM 0 H PHE A 104 -2.609 -1.558 8.663 1.00 0.00 H new ATOM 0 HA PHE A 104 -5.408 -1.690 9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.937 -1.972 6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.659 -2.253 7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -6.975 -0.274 8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.234 0.153 6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.393 2.133 7.967 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.649 2.559 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.732 3.554 6.833 1.00 0.00 H new ATOM 1478 N THR A 105 -5.918 -4.168 8.983 1.00 0.00 N ATOM 1479 CA THR A 105 -6.132 -5.606 9.086 1.00 0.00 C ATOM 1480 C THR A 105 -6.979 -6.120 7.928 1.00 0.00 C ATOM 1481 O THR A 105 -8.198 -5.950 7.915 1.00 0.00 O ATOM 1482 CB THR A 105 -6.819 -5.978 10.414 1.00 0.00 C ATOM 1483 OG1 THR A 105 -6.100 -5.408 11.514 1.00 0.00 O ATOM 1484 CG2 THR A 105 -6.895 -7.488 10.580 1.00 0.00 C ATOM 0 H THR A 105 -6.774 -3.618 8.909 1.00 0.00 H new ATOM 0 HA THR A 105 -5.149 -6.075 9.050 1.00 0.00 H new ATOM 0 HB THR A 105 -7.833 -5.579 10.397 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.544 -5.648 12.354 1.00 0.00 H new ATOM 0 HG21 THR A 105 -7.384 -7.726 11.525 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.467 -7.916 9.757 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.888 -7.905 10.577 1.00 0.00 H new ATOM 1492 N ALA A 106 -6.326 -6.751 6.958 1.00 0.00 N ATOM 1493 CA ALA A 106 -7.021 -7.293 5.796 1.00 0.00 C ATOM 1494 C ALA A 106 -7.431 -8.743 6.029 1.00 0.00 C ATOM 1495 O ALA A 106 -6.597 -9.647 6.005 1.00 0.00 O ATOM 1496 CB ALA A 106 -6.143 -7.183 4.558 1.00 0.00 C ATOM 0 H ALA A 106 -5.317 -6.900 6.953 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.927 -6.708 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.674 -7.591 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.904 -6.136 4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.221 -7.743 4.715 1.00 0.00 H new ATOM 1502 N LYS A 107 -8.723 -8.958 6.256 1.00 0.00 N ATOM 1503 CA LYS A 107 -9.246 -10.298 6.493 1.00 0.00 C ATOM 1504 C LYS A 107 -9.210 -11.130 5.215 1.00 0.00 C ATOM 1505 O LYS A 107 -10.172 -11.145 4.446 1.00 0.00 O ATOM 1506 CB LYS A 107 -10.679 -10.222 7.025 1.00 0.00 C ATOM 1507 CG LYS A 107 -11.373 -11.571 7.097 1.00 0.00 C ATOM 1508 CD LYS A 107 -11.150 -12.242 8.442 1.00 0.00 C ATOM 1509 CE LYS A 107 -9.906 -13.117 8.428 1.00 0.00 C ATOM 1510 NZ LYS A 107 -9.562 -13.614 9.790 1.00 0.00 N ATOM 0 H LYS A 107 -9.427 -8.220 6.281 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.614 -10.781 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.665 -9.776 8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.260 -9.557 6.386 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.442 -11.441 6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.000 -12.216 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.053 -11.482 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.020 -12.848 8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.066 -13.965 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.067 -12.549 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.709 -14.206 9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.385 -12.806 10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.352 -14.177 10.164 1.00 0.00 H new ATOM 1524 N ILE A 108 -8.097 -11.822 4.996 1.00 0.00 N ATOM 1525 CA ILE A 108 -7.938 -12.658 3.813 1.00 0.00 C ATOM 1526 C ILE A 108 -8.389 -14.089 4.086 1.00 0.00 C ATOM 1527 O ILE A 108 -8.207 -14.610 5.187 1.00 0.00 O ATOM 1528 CB ILE A 108 -6.476 -12.676 3.328 1.00 0.00 C ATOM 1529 CG1 ILE A 108 -6.003 -11.255 3.013 1.00 0.00 C ATOM 1530 CG2 ILE A 108 -6.335 -13.570 2.106 1.00 0.00 C ATOM 1531 CD1 ILE A 108 -4.847 -11.205 2.040 1.00 0.00 C ATOM 0 H ILE A 108 -7.292 -11.820 5.623 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.565 -12.224 3.034 1.00 0.00 H new ATOM 0 HB ILE A 108 -5.849 -13.079 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.837 -10.686 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.708 -10.765 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.296 -13.573 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -6.637 -14.586 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -6.970 -13.193 1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -4.565 -10.167 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.997 -11.746 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -5.144 -11.666 1.098 1.00 0.00 H new ATOM 1543 N THR A 109 -8.977 -14.721 3.076 1.00 0.00 N ATOM 1544 CA THR A 109 -9.453 -16.093 3.206 1.00 0.00 C ATOM 1545 C THR A 109 -8.761 -17.013 2.207 1.00 0.00 C ATOM 1546 O THR A 109 -8.029 -16.553 1.330 1.00 0.00 O ATOM 1547 CB THR A 109 -10.977 -16.180 2.998 1.00 0.00 C ATOM 1548 OG1 THR A 109 -11.288 -16.067 1.605 1.00 0.00 O ATOM 1549 CG2 THR A 109 -11.693 -15.085 3.774 1.00 0.00 C ATOM 0 H THR A 109 -9.135 -14.305 2.158 1.00 0.00 H new ATOM 0 HA THR A 109 -9.213 -16.416 4.219 1.00 0.00 H new ATOM 0 HB THR A 109 -11.318 -17.147 3.369 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.258 -16.125 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 109 -12.768 -15.167 3.611 1.00 0.00 H new ATOM 0 HG22 THR A 109 -11.478 -15.192 4.837 1.00 0.00 H new ATOM 0 HG23 THR A 109 -11.347 -14.110 3.430 1.00 0.00 H new ATOM 1557 N ASP A 110 -8.999 -18.312 2.343 1.00 0.00 N ATOM 1558 CA ASP A 110 -8.399 -19.297 1.450 1.00 0.00 C ATOM 1559 C ASP A 110 -9.311 -19.577 0.260 1.00 0.00 C ATOM 1560 O ASP A 110 -10.003 -20.595 0.221 1.00 0.00 O ATOM 1561 CB ASP A 110 -8.114 -20.596 2.206 1.00 0.00 C ATOM 1562 CG ASP A 110 -9.342 -21.138 2.910 1.00 0.00 C ATOM 1563 OD1 ASP A 110 -10.405 -20.486 2.837 1.00 0.00 O ATOM 1564 OD2 ASP A 110 -9.241 -22.215 3.534 1.00 0.00 O ATOM 0 H ASP A 110 -9.603 -18.708 3.063 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.459 -18.889 1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.739 -21.344 1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.326 -20.421 2.939 1.00 0.00 H new ATOM 1569 N ASP A 111 -9.308 -18.667 -0.708 1.00 0.00 N ATOM 1570 CA ASP A 111 -10.134 -18.816 -1.900 1.00 0.00 C ATOM 1571 C ASP A 111 -11.473 -19.461 -1.556 1.00 0.00 C ATOM 1572 O ASP A 111 -11.984 -20.293 -2.306 1.00 0.00 O ATOM 1573 CB ASP A 111 -9.405 -19.655 -2.951 1.00 0.00 C ATOM 1574 CG ASP A 111 -9.905 -19.384 -4.357 1.00 0.00 C ATOM 1575 OD1 ASP A 111 -10.906 -20.012 -4.762 1.00 0.00 O ATOM 1576 OD2 ASP A 111 -9.296 -18.543 -5.051 1.00 0.00 O ATOM 0 H ASP A 111 -8.743 -17.818 -0.690 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.323 -17.823 -2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.336 -19.445 -2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.533 -20.713 -2.720 1.00 0.00 H new ATOM 1581 N SER A 112 -12.036 -19.073 -0.416 1.00 0.00 N ATOM 1582 CA SER A 112 -13.313 -19.617 0.030 1.00 0.00 C ATOM 1583 C SER A 112 -14.477 -18.858 -0.600 1.00 0.00 C ATOM 1584 O SER A 112 -15.056 -17.964 0.017 1.00 0.00 O ATOM 1585 CB SER A 112 -13.414 -19.553 1.555 1.00 0.00 C ATOM 1586 OG SER A 112 -14.366 -20.482 2.043 1.00 0.00 O ATOM 0 H SER A 112 -11.628 -18.384 0.215 1.00 0.00 H new ATOM 0 HA SER A 112 -13.367 -20.658 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.439 -19.761 1.996 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.694 -18.545 1.862 1.00 0.00 H new ATOM 0 HG SER A 112 -14.410 -20.422 3.020 1.00 0.00 H new ATOM 1592 N ARG A 113 -14.813 -19.222 -1.833 1.00 0.00 N ATOM 1593 CA ARG A 113 -15.907 -18.575 -2.549 1.00 0.00 C ATOM 1594 C ARG A 113 -16.720 -19.597 -3.337 1.00 0.00 C ATOM 1595 O ARG A 113 -16.179 -20.584 -3.836 1.00 0.00 O ATOM 1596 CB ARG A 113 -15.363 -17.502 -3.494 1.00 0.00 C ATOM 1597 CG ARG A 113 -14.826 -16.274 -2.776 1.00 0.00 C ATOM 1598 CD ARG A 113 -14.567 -15.131 -3.745 1.00 0.00 C ATOM 1599 NE ARG A 113 -13.378 -15.364 -4.561 1.00 0.00 N ATOM 1600 CZ ARG A 113 -13.039 -14.607 -5.598 1.00 0.00 C ATOM 1601 NH1 ARG A 113 -13.795 -13.574 -5.945 1.00 0.00 N ATOM 1602 NH2 ARG A 113 -11.941 -14.882 -6.291 1.00 0.00 N ATOM 0 H ARG A 113 -14.344 -19.961 -2.357 1.00 0.00 H new ATOM 0 HA ARG A 113 -16.561 -18.105 -1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.568 -17.934 -4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -16.155 -17.196 -4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -15.540 -15.954 -2.017 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.902 -16.529 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -15.433 -15.003 -4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.447 -14.203 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.775 -16.151 -4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -14.639 -13.359 -5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -13.532 -12.994 -6.742 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.357 -15.675 -6.027 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.681 -14.300 -7.087 1.00 0.00 H new ATOM 1616 N ARG A 114 -18.022 -19.354 -3.445 1.00 0.00 N ATOM 1617 CA ARG A 114 -18.910 -20.254 -4.171 1.00 0.00 C ATOM 1618 C ARG A 114 -19.855 -19.470 -5.077 1.00 0.00 C ATOM 1619 O ARG A 114 -19.978 -18.251 -4.958 1.00 0.00 O ATOM 1620 CB ARG A 114 -19.717 -21.108 -3.192 1.00 0.00 C ATOM 1621 CG ARG A 114 -20.626 -20.298 -2.282 1.00 0.00 C ATOM 1622 CD ARG A 114 -21.294 -21.177 -1.236 1.00 0.00 C ATOM 1623 NE ARG A 114 -20.319 -21.896 -0.421 1.00 0.00 N ATOM 1624 CZ ARG A 114 -19.779 -23.057 -0.775 1.00 0.00 C ATOM 1625 NH1 ARG A 114 -20.117 -23.627 -1.923 1.00 0.00 N ATOM 1626 NH2 ARG A 114 -18.897 -23.650 0.020 1.00 0.00 N ATOM 0 H ARG A 114 -18.486 -18.541 -3.039 1.00 0.00 H new ATOM 0 HA ARG A 114 -18.297 -20.907 -4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -20.321 -21.818 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -19.029 -21.691 -2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -20.046 -19.519 -1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -21.388 -19.798 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -21.921 -20.561 -0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -21.951 -21.893 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 114 -20.037 -21.484 0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -20.794 -23.174 -2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -19.701 -24.518 -2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -18.633 -23.214 0.904 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -18.483 -24.541 -0.253 1.00 0.00 H new ATOM 1640 N CYS A 115 -20.520 -20.179 -5.983 1.00 0.00 N ATOM 1641 CA CYS A 115 -21.454 -19.550 -6.911 1.00 0.00 C ATOM 1642 C CYS A 115 -22.870 -19.556 -6.345 1.00 0.00 C ATOM 1643 O CYS A 115 -23.543 -20.587 -6.341 1.00 0.00 O ATOM 1644 CB CYS A 115 -21.427 -20.270 -8.260 1.00 0.00 C ATOM 1645 SG CYS A 115 -22.312 -19.403 -9.577 1.00 0.00 S ATOM 0 H CYS A 115 -20.430 -21.189 -6.095 1.00 0.00 H new ATOM 0 HA CYS A 115 -21.144 -18.515 -7.054 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -20.390 -20.410 -8.565 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -21.860 -21.263 -8.139 1.00 0.00 H new ATOM 0 HG CYS A 115 -22.231 -20.089 -10.679 1.00 0.00 H new TER 1651 CYS A 115