USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 956 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 29 ASN : amide:sc= -0.212 X(o=1,f=1.2) USER MOD Set 1.2: A 55 SER OG : rot 73:sc= 1.23 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 160:sc= -0.134 (180deg=-0.728) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= 1.18 (180deg=0.843) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= 0.853 (180deg=0.746) USER MOD Single : A 13 ASN : amide:sc= -4.33! C(o=-4.3!,f=-3.8!) USER MOD Single : A 14 THR OG1 : rot 76:sc= 1.29 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.788 K(o=-0.79,f=-10!) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.437 USER MOD Single : A 24 HIS : no HE2:sc= -5.71! C(o=-5.7!,f=-11!) USER MOD Single : A 27 SER OG : rot 51:sc= 1.16 USER MOD Single : A 30 THR OG1 : rot -72:sc= -0.351 USER MOD Single : A 31 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.13) USER MOD Single : A 35 GLN : amide:sc= -1.04 K(o=-1,f=-0.16) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.824 X(o=-0.82,f=-0.39) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0268) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.07) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0651 (180deg=-0.304) USER MOD Single : A 52 THR OG1 : rot 5:sc= 0.424 USER MOD Single : A 58 ASN : amide:sc= -2.9! C(o=-2.9!,f=-5.1!) USER MOD Single : A 63 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.5) USER MOD Single : A 66 ASN : amide:sc= -1.72! K(o=-1.7!,f=-0.66) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 128:sc= 0.431 USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.12) USER MOD Single : A 82 HIS : no HD1:sc= -5.82! C(o=-5.8!,f=-6.8!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 60:sc= -0.0997 USER MOD Single : A 92 SER OG : rot -125:sc= 0.666! USER MOD Single : A 95 MET CE :methyl -159:sc= -0.213 (180deg=-0.793) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0268 (180deg=-0.239) USER MOD Single : A 102 MET CE :methyl -160:sc= -0.101 (180deg=-1.11) USER MOD Single : A 108 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.225 5.199 2.466 1.00 6.29 N ATOM 2 CA ALA A 1 20.228 4.629 3.401 1.00 5.64 C ATOM 3 C ALA A 1 20.883 4.265 4.733 1.00 5.66 C ATOM 4 O ALA A 1 21.089 3.086 5.037 1.00 5.80 O ATOM 5 CB ALA A 1 19.563 3.407 2.777 1.00 5.37 C ATOM 0 H1 ALA A 1 20.760 5.440 1.567 1.00 6.29 H new ATOM 0 H2 ALA A 1 21.640 6.057 2.882 1.00 6.29 H new ATOM 0 H3 ALA A 1 21.976 4.501 2.291 1.00 6.29 H new ATOM 0 HA ALA A 1 19.463 5.381 3.595 1.00 5.64 H new ATOM 0 HB1 ALA A 1 18.832 2.996 3.473 1.00 5.37 H new ATOM 0 HB2 ALA A 1 19.062 3.697 1.854 1.00 5.37 H new ATOM 0 HB3 ALA A 1 20.319 2.653 2.558 1.00 5.37 H new ATOM 13 N MET A 2 21.207 5.278 5.531 1.00 5.85 N ATOM 14 CA MET A 2 21.862 5.055 6.816 1.00 6.17 C ATOM 15 C MET A 2 20.841 4.824 7.922 1.00 5.91 C ATOM 16 O MET A 2 20.709 3.712 8.428 1.00 6.19 O ATOM 17 CB MET A 2 22.771 6.232 7.182 1.00 6.73 C ATOM 18 CG MET A 2 23.979 6.376 6.274 1.00 7.38 C ATOM 19 SD MET A 2 25.067 7.732 6.761 1.00 8.14 S ATOM 20 CE MET A 2 25.587 7.185 8.387 1.00 8.79 C ATOM 0 H MET A 2 21.028 6.258 5.312 1.00 5.85 H new ATOM 0 HA MET A 2 22.474 4.159 6.717 1.00 6.17 H new ATOM 0 HB2 MET A 2 22.189 7.153 7.147 1.00 6.73 H new ATOM 0 HB3 MET A 2 23.113 6.110 8.210 1.00 6.73 H new ATOM 0 HG2 MET A 2 24.544 5.444 6.279 1.00 7.38 H new ATOM 0 HG3 MET A 2 23.641 6.538 5.251 1.00 7.38 H new ATOM 0 HE1 MET A 2 26.504 7.702 8.669 1.00 8.79 H new ATOM 0 HE2 MET A 2 24.806 7.410 9.113 1.00 8.79 H new ATOM 0 HE3 MET A 2 25.767 6.110 8.369 1.00 8.79 H new ATOM 30 N GLY A 3 20.110 5.870 8.286 1.00 5.74 N ATOM 31 CA GLY A 3 19.138 5.753 9.356 1.00 5.81 C ATOM 32 C GLY A 3 17.727 6.078 8.913 1.00 5.28 C ATOM 33 O GLY A 3 16.765 5.754 9.606 1.00 5.54 O ATOM 0 H GLY A 3 20.172 6.795 7.861 1.00 5.74 H new ATOM 0 HA2 GLY A 3 19.163 4.738 9.753 1.00 5.81 H new ATOM 0 HA3 GLY A 3 19.420 6.421 10.170 1.00 5.81 H new ATOM 37 N CYS A 4 17.597 6.691 7.747 1.00 4.84 N ATOM 38 CA CYS A 4 16.296 7.125 7.249 1.00 4.49 C ATOM 39 C CYS A 4 15.437 5.979 6.735 1.00 4.00 C ATOM 40 O CYS A 4 14.392 6.209 6.124 1.00 4.30 O ATOM 41 CB CYS A 4 16.479 8.225 6.185 1.00 4.71 C ATOM 42 SG CYS A 4 17.947 8.029 5.105 1.00 5.14 S ATOM 0 H CYS A 4 18.377 6.901 7.124 1.00 4.84 H new ATOM 0 HA CYS A 4 15.747 7.540 8.094 1.00 4.49 H new ATOM 0 HB2 CYS A 4 15.588 8.254 5.558 1.00 4.71 H new ATOM 0 HB3 CYS A 4 16.545 9.189 6.690 1.00 4.71 H new ATOM 47 N LYS A 5 15.819 4.750 7.041 1.00 3.56 N ATOM 48 CA LYS A 5 15.278 3.616 6.305 1.00 3.21 C ATOM 49 C LYS A 5 14.590 2.606 7.152 1.00 2.60 C ATOM 50 O LYS A 5 15.159 1.617 7.612 1.00 2.48 O ATOM 51 CB LYS A 5 16.383 2.945 5.579 1.00 3.31 C ATOM 52 CG LYS A 5 17.695 3.402 6.115 1.00 3.91 C ATOM 53 CD LYS A 5 18.232 2.502 7.218 1.00 4.47 C ATOM 54 CE LYS A 5 18.795 1.202 6.675 1.00 5.34 C ATOM 55 NZ LYS A 5 19.426 0.383 7.746 1.00 5.99 N ATOM 0 H LYS A 5 16.486 4.513 7.776 1.00 3.56 H new ATOM 0 HA LYS A 5 14.524 4.023 5.631 1.00 3.21 H new ATOM 0 HB2 LYS A 5 16.295 1.864 5.684 1.00 3.31 H new ATOM 0 HB3 LYS A 5 16.318 3.168 4.514 1.00 3.31 H new ATOM 0 HG2 LYS A 5 18.419 3.442 5.302 1.00 3.91 H new ATOM 0 HG3 LYS A 5 17.591 4.416 6.500 1.00 3.91 H new ATOM 0 HD2 LYS A 5 19.010 3.031 7.769 1.00 4.47 H new ATOM 0 HD3 LYS A 5 17.433 2.282 7.926 1.00 4.47 H new ATOM 0 HE2 LYS A 5 17.997 0.630 6.202 1.00 5.34 H new ATOM 0 HE3 LYS A 5 19.532 1.420 5.902 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 20.000 -0.370 7.315 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 20.034 0.989 8.333 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 18.685 -0.043 8.339 1.00 5.99 H new ATOM 69 N GLU A 6 13.366 2.910 7.347 1.00 2.54 N ATOM 70 CA GLU A 6 12.315 1.939 7.510 1.00 2.10 C ATOM 71 C GLU A 6 11.302 2.157 6.410 1.00 1.84 C ATOM 72 O GLU A 6 10.482 3.072 6.488 1.00 2.27 O ATOM 73 CB GLU A 6 11.674 2.041 8.869 1.00 2.49 C ATOM 74 CG GLU A 6 12.693 2.293 9.940 1.00 2.96 C ATOM 75 CD GLU A 6 12.080 2.411 11.317 1.00 3.57 C ATOM 76 OE1 GLU A 6 12.390 1.568 12.185 1.00 4.01 O ATOM 77 OE2 GLU A 6 11.280 3.341 11.542 1.00 3.94 O ATOM 0 H GLU A 6 13.038 3.874 7.402 1.00 2.54 H new ATOM 0 HA GLU A 6 12.730 0.934 7.440 1.00 2.10 H new ATOM 0 HB2 GLU A 6 10.940 2.847 8.867 1.00 2.49 H new ATOM 0 HB3 GLU A 6 11.135 1.119 9.088 1.00 2.49 H new ATOM 0 HG2 GLU A 6 13.421 1.482 9.940 1.00 2.96 H new ATOM 0 HG3 GLU A 6 13.236 3.209 9.710 1.00 2.96 H new ATOM 84 N ILE A 7 11.377 1.361 5.376 1.00 1.34 N ATOM 85 CA ILE A 7 10.476 1.545 4.245 1.00 1.10 C ATOM 86 C ILE A 7 9.207 0.769 4.499 1.00 0.99 C ATOM 87 O ILE A 7 9.186 -0.461 4.503 1.00 1.30 O ATOM 88 CB ILE A 7 11.097 1.159 2.883 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.469 1.768 2.722 1.00 1.73 C ATOM 90 CG2 ILE A 7 10.215 1.607 1.734 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.553 3.167 3.248 1.00 2.00 C ATOM 0 H ILE A 7 12.037 0.589 5.283 1.00 1.34 H new ATOM 0 HA ILE A 7 10.262 2.611 4.169 1.00 1.10 H new ATOM 0 HB ILE A 7 11.183 0.073 2.864 1.00 1.29 H new ATOM 0 HG12 ILE A 7 13.199 1.146 3.240 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.740 1.766 1.666 1.00 1.73 H new ATOM 0 HG21 ILE A 7 10.677 1.322 0.789 1.00 1.29 H new ATOM 0 HG22 ILE A 7 9.238 1.131 1.819 1.00 1.29 H new ATOM 0 HG23 ILE A 7 10.096 2.690 1.768 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.563 3.550 3.104 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.845 3.800 2.713 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.312 3.171 4.311 1.00 2.00 H new ATOM 103 N GLU A 8 8.158 1.516 4.748 1.00 0.87 N ATOM 104 CA GLU A 8 6.922 0.956 5.264 1.00 0.93 C ATOM 105 C GLU A 8 5.780 1.020 4.262 1.00 0.86 C ATOM 106 O GLU A 8 5.726 1.899 3.398 1.00 1.29 O ATOM 107 CB GLU A 8 6.545 1.675 6.557 1.00 1.41 C ATOM 108 CG GLU A 8 7.158 3.049 6.676 1.00 1.71 C ATOM 109 CD GLU A 8 6.796 3.752 7.964 1.00 2.31 C ATOM 110 OE1 GLU A 8 5.714 4.370 8.026 1.00 2.70 O ATOM 111 OE2 GLU A 8 7.581 3.670 8.930 1.00 2.71 O ATOM 0 H GLU A 8 8.132 2.525 4.601 1.00 0.87 H new ATOM 0 HA GLU A 8 7.095 -0.102 5.461 1.00 0.93 H new ATOM 0 HB2 GLU A 8 5.460 1.763 6.613 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.860 1.069 7.407 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.243 2.963 6.609 1.00 1.71 H new ATOM 0 HG3 GLU A 8 6.834 3.659 5.833 1.00 1.71 H new ATOM 118 N ILE A 9 4.867 0.070 4.402 1.00 0.65 N ATOM 119 CA ILE A 9 3.710 -0.039 3.534 1.00 0.68 C ATOM 120 C ILE A 9 2.474 0.456 4.280 1.00 0.53 C ATOM 121 O ILE A 9 1.898 -0.290 5.073 1.00 0.68 O ATOM 122 CB ILE A 9 3.438 -1.508 3.081 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.572 -2.472 3.404 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.148 -1.566 1.605 1.00 1.34 C ATOM 125 CD1 ILE A 9 5.716 -2.376 2.460 1.00 1.21 C ATOM 0 H ILE A 9 4.911 -0.648 5.125 1.00 0.65 H new ATOM 0 HA ILE A 9 3.917 0.562 2.649 1.00 0.68 H new ATOM 0 HB ILE A 9 2.569 -1.831 3.654 1.00 0.91 H new ATOM 0 HG12 ILE A 9 4.928 -2.276 4.416 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.186 -3.491 3.393 1.00 0.93 H new ATOM 0 HG21 ILE A 9 2.961 -2.599 1.311 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.269 -0.961 1.383 1.00 1.34 H new ATOM 0 HG23 ILE A 9 4.003 -1.180 1.051 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.487 -3.090 2.749 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.374 -2.601 1.450 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.127 -1.367 2.488 1.00 1.21 H new ATOM 137 N VAL A 10 2.064 1.701 4.044 1.00 0.51 N ATOM 138 CA VAL A 10 0.866 2.213 4.695 1.00 0.46 C ATOM 139 C VAL A 10 -0.337 2.074 3.791 1.00 0.41 C ATOM 140 O VAL A 10 -0.359 2.576 2.663 1.00 0.44 O ATOM 141 CB VAL A 10 0.998 3.683 5.182 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.976 4.466 4.322 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.372 4.380 5.233 1.00 0.77 C ATOM 0 H VAL A 10 2.533 2.359 3.421 1.00 0.51 H new ATOM 0 HA VAL A 10 0.730 1.601 5.587 1.00 0.46 H new ATOM 0 HB VAL A 10 1.396 3.656 6.196 1.00 0.61 H new ATOM 0 HG11 VAL A 10 2.045 5.490 4.690 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.959 3.997 4.369 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.627 4.474 3.289 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.245 5.406 5.577 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.816 4.383 4.237 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.027 3.845 5.920 1.00 0.77 H new ATOM 153 N ILE A 11 -1.321 1.359 4.291 1.00 0.40 N ATOM 154 CA ILE A 11 -2.589 1.240 3.631 1.00 0.40 C ATOM 155 C ILE A 11 -3.610 2.005 4.433 1.00 0.44 C ATOM 156 O ILE A 11 -3.895 1.672 5.586 1.00 0.50 O ATOM 157 CB ILE A 11 -3.029 -0.233 3.490 1.00 0.47 C ATOM 158 CG1 ILE A 11 -2.046 -0.992 2.621 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.447 -0.339 2.937 1.00 0.53 C ATOM 160 CD1 ILE A 11 -1.796 -0.301 1.325 1.00 0.59 C ATOM 0 H ILE A 11 -1.257 0.845 5.170 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.501 1.647 2.623 1.00 0.40 H new ATOM 0 HB ILE A 11 -3.034 -0.684 4.482 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.104 -1.109 3.157 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.430 -1.994 2.429 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.726 -1.389 2.850 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.139 0.166 3.611 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.490 0.131 1.954 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.086 -0.880 0.735 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -2.733 -0.207 0.776 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.386 0.691 1.515 1.00 0.59 H new ATOM 172 N LYS A 12 -4.115 3.061 3.848 1.00 0.46 N ATOM 173 CA LYS A 12 -5.108 3.867 4.513 1.00 0.52 C ATOM 174 C LYS A 12 -6.455 3.574 3.911 1.00 0.50 C ATOM 175 O LYS A 12 -6.554 2.946 2.860 1.00 0.62 O ATOM 176 CB LYS A 12 -4.811 5.358 4.380 1.00 0.55 C ATOM 177 CG LYS A 12 -4.936 6.100 5.690 1.00 0.72 C ATOM 178 CD LYS A 12 -4.787 7.600 5.508 1.00 1.32 C ATOM 179 CE LYS A 12 -4.662 8.313 6.845 1.00 1.65 C ATOM 180 NZ LYS A 12 -5.786 7.989 7.761 1.00 2.08 N ATOM 0 H LYS A 12 -3.856 3.383 2.915 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.095 3.618 5.574 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.802 5.489 3.988 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.495 5.796 3.653 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -5.905 5.883 6.139 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.176 5.741 6.384 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -3.907 7.808 4.900 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.649 7.989 4.966 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -3.719 8.035 7.317 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -4.630 9.390 6.679 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -5.734 8.597 8.603 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -6.690 8.151 7.272 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -5.722 6.992 8.049 1.00 2.08 H new ATOM 194 N ASN A 13 -7.480 4.020 4.577 1.00 0.55 N ATOM 195 CA ASN A 13 -8.820 3.867 4.086 1.00 0.59 C ATOM 196 C ASN A 13 -9.653 5.004 4.610 1.00 0.58 C ATOM 197 O ASN A 13 -9.631 5.282 5.804 1.00 0.95 O ATOM 198 CB ASN A 13 -9.377 2.522 4.523 1.00 1.01 C ATOM 199 CG ASN A 13 -10.810 2.309 4.106 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.323 2.947 3.191 1.00 2.81 O ATOM 201 ND2 ASN A 13 -11.456 1.380 4.759 1.00 2.71 N ATOM 0 H ASN A 13 -7.412 4.500 5.475 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.835 3.892 2.996 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -8.761 1.727 4.103 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.305 2.441 5.608 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -12.422 1.163 4.514 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -10.994 0.872 5.513 1.00 2.71 H new ATOM 208 N THR A 14 -10.339 5.696 3.723 1.00 0.47 N ATOM 209 CA THR A 14 -11.105 6.852 4.134 1.00 0.74 C ATOM 210 C THR A 14 -12.025 7.389 3.038 1.00 0.54 C ATOM 211 O THR A 14 -11.659 8.280 2.271 1.00 0.70 O ATOM 212 CB THR A 14 -10.170 7.961 4.648 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.890 9.172 4.912 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.095 8.210 3.634 1.00 1.78 C ATOM 0 H THR A 14 -10.381 5.481 2.727 1.00 0.47 H new ATOM 0 HA THR A 14 -11.755 6.521 4.944 1.00 0.74 H new ATOM 0 HB THR A 14 -9.724 7.631 5.586 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.384 9.082 5.754 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.430 8.995 3.994 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.524 7.295 3.477 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.548 8.521 2.693 1.00 1.78 H new ATOM 222 N LEU A 15 -13.208 6.802 2.921 1.00 0.49 N ATOM 223 CA LEU A 15 -14.253 7.388 2.118 1.00 0.68 C ATOM 224 C LEU A 15 -15.139 8.233 3.017 1.00 0.84 C ATOM 225 O LEU A 15 -15.643 9.291 2.641 1.00 1.18 O ATOM 226 CB LEU A 15 -15.149 6.342 1.437 1.00 0.88 C ATOM 227 CG LEU A 15 -14.474 5.376 0.480 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.254 4.818 1.095 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.432 4.284 0.047 1.00 1.39 C ATOM 0 H LEU A 15 -13.460 5.923 3.373 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.765 7.974 1.339 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.642 5.759 2.215 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -15.931 6.870 0.891 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.179 5.921 -0.417 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.779 4.127 0.399 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.563 5.627 1.331 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.518 4.287 2.010 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -14.924 3.605 -0.638 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.771 3.730 0.922 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.290 4.731 -0.455 1.00 1.39 H new ATOM 241 N GLY A 16 -15.308 7.709 4.221 1.00 0.72 N ATOM 242 CA GLY A 16 -16.233 8.242 5.195 1.00 0.87 C ATOM 243 C GLY A 16 -16.444 7.224 6.302 1.00 0.77 C ATOM 244 O GLY A 16 -15.665 6.276 6.400 1.00 1.27 O ATOM 0 H GLY A 16 -14.796 6.890 4.549 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.845 9.172 5.611 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -17.184 8.479 4.718 1.00 0.87 H new ATOM 248 N PRO A 17 -17.495 7.355 7.120 1.00 0.67 N ATOM 249 CA PRO A 17 -17.712 6.476 8.279 1.00 0.76 C ATOM 250 C PRO A 17 -17.878 5.000 7.901 1.00 0.88 C ATOM 251 O PRO A 17 -18.535 4.671 6.911 1.00 1.27 O ATOM 252 CB PRO A 17 -19.004 7.014 8.907 1.00 1.02 C ATOM 253 CG PRO A 17 -19.672 7.783 7.819 1.00 1.42 C ATOM 254 CD PRO A 17 -18.565 8.355 6.981 1.00 1.13 C ATOM 0 HA PRO A 17 -16.852 6.492 8.949 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.638 6.202 9.262 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -18.790 7.650 9.766 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -20.319 7.138 7.224 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -20.301 8.574 8.229 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.869 8.480 5.942 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -18.251 9.335 7.341 1.00 1.13 H new ATOM 262 N SER A 18 -17.253 4.126 8.696 1.00 1.06 N ATOM 263 CA SER A 18 -17.385 2.673 8.552 1.00 1.31 C ATOM 264 C SER A 18 -16.838 2.175 7.216 1.00 1.10 C ATOM 265 O SER A 18 -17.351 1.215 6.639 1.00 1.50 O ATOM 266 CB SER A 18 -18.850 2.259 8.716 1.00 1.75 C ATOM 267 OG SER A 18 -19.381 2.757 9.935 1.00 2.18 O ATOM 0 H SER A 18 -16.639 4.408 9.460 1.00 1.06 H new ATOM 0 HA SER A 18 -16.788 2.210 9.338 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.435 2.637 7.878 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.930 1.172 8.696 1.00 1.75 H new ATOM 0 HG SER A 18 -20.318 2.483 10.020 1.00 2.18 H new ATOM 273 N ARG A 19 -15.794 2.826 6.728 1.00 0.81 N ATOM 274 CA ARG A 19 -15.104 2.357 5.539 1.00 0.66 C ATOM 275 C ARG A 19 -14.108 1.285 5.922 1.00 0.64 C ATOM 276 O ARG A 19 -13.222 1.532 6.738 1.00 1.02 O ATOM 277 CB ARG A 19 -14.402 3.514 4.819 1.00 0.68 C ATOM 278 CG ARG A 19 -15.182 4.076 3.661 1.00 1.15 C ATOM 279 CD ARG A 19 -16.644 4.326 4.006 1.00 1.94 C ATOM 280 NE ARG A 19 -17.487 3.155 3.750 1.00 2.51 N ATOM 281 CZ ARG A 19 -18.805 3.217 3.552 1.00 3.32 C ATOM 282 NH1 ARG A 19 -19.432 4.386 3.583 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.496 2.110 3.317 1.00 3.99 N ATOM 0 H ARG A 19 -15.408 3.677 7.136 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.837 1.935 4.851 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.210 4.312 5.536 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.433 3.170 4.458 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.724 5.011 3.339 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.124 3.386 2.819 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -16.724 4.605 5.057 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -17.013 5.170 3.423 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.040 2.239 3.722 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -18.906 5.242 3.759 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -20.440 4.428 3.431 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.020 1.208 3.287 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.504 2.160 3.166 1.00 3.99 H new ATOM 297 N ILE A 20 -14.265 0.084 5.358 1.00 0.52 N ATOM 298 CA ILE A 20 -13.354 -1.021 5.654 1.00 0.51 C ATOM 299 C ILE A 20 -13.088 -1.865 4.407 1.00 0.54 C ATOM 300 O ILE A 20 -14.014 -2.426 3.817 1.00 0.76 O ATOM 301 CB ILE A 20 -13.899 -1.976 6.747 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.831 -1.262 7.711 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.752 -2.580 7.513 1.00 0.72 C ATOM 304 CD1 ILE A 20 -14.124 -0.495 8.784 1.00 0.83 C ATOM 0 H ILE A 20 -15.009 -0.145 4.699 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.439 -0.550 6.012 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.470 -2.758 6.246 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -15.466 -0.578 7.148 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.488 -1.997 8.176 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -13.140 -3.250 8.280 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.114 -3.140 6.830 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -12.171 -1.787 7.984 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.858 -0.014 9.431 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -13.511 -1.176 9.374 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.488 0.265 8.329 1.00 0.83 H new ATOM 316 N LEU A 21 -11.828 -1.945 4.007 1.00 0.50 N ATOM 317 CA LEU A 21 -11.410 -2.889 2.969 1.00 0.55 C ATOM 318 C LEU A 21 -10.201 -3.673 3.448 1.00 0.52 C ATOM 319 O LEU A 21 -9.489 -3.233 4.353 1.00 0.75 O ATOM 320 CB LEU A 21 -11.125 -2.241 1.584 1.00 0.72 C ATOM 321 CG LEU A 21 -10.673 -0.777 1.548 1.00 1.39 C ATOM 322 CD1 LEU A 21 -11.845 0.153 1.814 1.00 2.23 C ATOM 323 CD2 LEU A 21 -9.528 -0.526 2.523 1.00 2.20 C ATOM 0 H LEU A 21 -11.074 -1.370 4.382 1.00 0.50 H new ATOM 0 HA LEU A 21 -12.257 -3.555 2.805 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -10.359 -2.838 1.088 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -12.032 -2.324 0.985 1.00 0.72 H new ATOM 0 HG LEU A 21 -10.297 -0.564 0.547 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.503 1.187 1.784 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -12.610 0.002 1.052 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -12.264 -0.062 2.797 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -9.231 0.521 2.473 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -9.854 -0.763 3.536 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -8.680 -1.157 2.258 1.00 2.20 H new ATOM 335 N GLN A 22 -9.989 -4.833 2.856 1.00 0.47 N ATOM 336 CA GLN A 22 -8.964 -5.746 3.300 1.00 0.47 C ATOM 337 C GLN A 22 -7.892 -5.908 2.226 1.00 0.42 C ATOM 338 O GLN A 22 -8.151 -6.459 1.160 1.00 0.51 O ATOM 339 CB GLN A 22 -9.632 -7.079 3.633 1.00 0.60 C ATOM 340 CG GLN A 22 -8.671 -8.190 3.975 1.00 0.71 C ATOM 341 CD GLN A 22 -9.384 -9.497 4.277 1.00 0.97 C ATOM 342 OE1 GLN A 22 -8.860 -10.579 4.019 1.00 1.69 O ATOM 343 NE2 GLN A 22 -10.583 -9.413 4.830 1.00 1.34 N ATOM 0 H GLN A 22 -10.525 -5.165 2.054 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.465 -5.359 4.189 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.311 -6.931 4.473 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.239 -7.389 2.783 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.981 -8.339 3.145 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.073 -7.897 4.838 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -10.989 -8.499 5.031 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -11.101 -10.262 5.055 1.00 1.34 H new ATOM 352 N TYR A 23 -6.694 -5.417 2.509 1.00 0.42 N ATOM 353 CA TYR A 23 -5.603 -5.458 1.546 1.00 0.42 C ATOM 354 C TYR A 23 -4.662 -6.608 1.873 1.00 0.41 C ATOM 355 O TYR A 23 -4.498 -6.988 3.033 1.00 0.49 O ATOM 356 CB TYR A 23 -4.810 -4.150 1.544 1.00 0.52 C ATOM 357 CG TYR A 23 -3.970 -3.995 2.779 1.00 0.50 C ATOM 358 CD1 TYR A 23 -4.544 -3.593 3.973 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.606 -4.216 2.742 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.781 -3.419 5.106 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.829 -4.049 3.870 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.417 -3.768 5.063 1.00 0.63 C ATOM 363 OH TYR A 23 -1.659 -3.472 6.180 1.00 0.74 O ATOM 0 H TYR A 23 -6.452 -4.984 3.401 1.00 0.42 H new ATOM 0 HA TYR A 23 -6.040 -5.602 0.558 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.168 -4.117 0.664 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.499 -3.309 1.467 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -5.608 -3.413 4.017 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.142 -4.524 1.817 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.220 -3.023 6.010 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.755 -4.141 3.805 1.00 0.63 H new ATOM 0 HH TYR A 23 -0.734 -3.760 6.033 1.00 0.74 H new ATOM 373 N HIS A 24 -4.050 -7.156 0.849 1.00 0.50 N ATOM 374 CA HIS A 24 -3.019 -8.151 1.018 1.00 0.57 C ATOM 375 C HIS A 24 -1.745 -7.679 0.375 1.00 0.60 C ATOM 376 O HIS A 24 -1.646 -7.641 -0.844 1.00 0.58 O ATOM 377 CB HIS A 24 -3.420 -9.468 0.376 1.00 0.61 C ATOM 378 CG HIS A 24 -2.416 -10.549 0.610 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.424 -10.446 1.562 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.255 -11.758 0.028 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.697 -11.546 1.556 1.00 0.88 C ATOM 382 NE2 HIS A 24 -1.181 -12.362 0.635 1.00 0.94 N ATOM 0 H HIS A 24 -4.253 -6.924 -0.123 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.874 -8.302 2.088 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.386 -9.782 0.772 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.548 -9.321 -0.697 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.276 -9.644 2.175 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -2.858 -12.172 -0.766 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.150 -11.747 2.195 1.00 0.88 H new ATOM 391 N CYS A 25 -0.760 -7.330 1.168 1.00 0.71 N ATOM 392 CA CYS A 25 0.475 -6.898 0.578 1.00 0.74 C ATOM 393 C CYS A 25 1.536 -7.977 0.636 1.00 0.91 C ATOM 394 O CYS A 25 1.914 -8.456 1.704 1.00 1.01 O ATOM 395 CB CYS A 25 0.956 -5.586 1.181 1.00 0.79 C ATOM 396 SG CYS A 25 1.699 -4.484 -0.059 1.00 1.12 S ATOM 0 H CYS A 25 -0.788 -7.336 2.188 1.00 0.71 H new ATOM 0 HA CYS A 25 0.280 -6.709 -0.478 1.00 0.74 H new ATOM 0 HB2 CYS A 25 0.117 -5.079 1.657 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.687 -5.795 1.962 1.00 0.79 H new ATOM 401 N ARG A 26 1.966 -8.379 -0.553 1.00 1.14 N ATOM 402 CA ARG A 26 2.979 -9.399 -0.718 1.00 1.38 C ATOM 403 C ARG A 26 3.755 -9.161 -2.011 1.00 1.87 C ATOM 404 O ARG A 26 3.171 -9.149 -3.090 1.00 2.24 O ATOM 405 CB ARG A 26 2.344 -10.797 -0.745 1.00 1.45 C ATOM 406 CG ARG A 26 1.302 -10.982 -1.839 1.00 2.13 C ATOM 407 CD ARG A 26 0.866 -12.431 -1.960 1.00 2.66 C ATOM 408 NE ARG A 26 -0.128 -12.617 -3.016 1.00 3.26 N ATOM 409 CZ ARG A 26 -0.980 -13.639 -3.063 1.00 4.00 C ATOM 410 NH1 ARG A 26 -0.955 -14.579 -2.125 1.00 4.21 N ATOM 411 NH2 ARG A 26 -1.856 -13.726 -4.055 1.00 4.86 N ATOM 0 H ARG A 26 1.616 -8.000 -1.433 1.00 1.14 H new ATOM 0 HA ARG A 26 3.662 -9.343 0.129 1.00 1.38 H new ATOM 0 HB2 ARG A 26 3.131 -11.540 -0.877 1.00 1.45 H new ATOM 0 HB3 ARG A 26 1.880 -10.993 0.222 1.00 1.45 H new ATOM 0 HG2 ARG A 26 0.435 -10.358 -1.625 1.00 2.13 H new ATOM 0 HG3 ARG A 26 1.710 -10.644 -2.791 1.00 2.13 H new ATOM 0 HD2 ARG A 26 1.735 -13.055 -2.166 1.00 2.66 H new ATOM 0 HD3 ARG A 26 0.452 -12.766 -1.009 1.00 2.66 H new ATOM 0 HE ARG A 26 -0.171 -11.922 -3.761 1.00 3.26 H new ATOM 0 HH11 ARG A 26 -0.280 -14.521 -1.362 1.00 4.21 H new ATOM 0 HH12 ARG A 26 -1.611 -15.359 -2.167 1.00 4.21 H new ATOM 0 HH21 ARG A 26 -1.877 -13.010 -4.781 1.00 4.86 H new ATOM 0 HH22 ARG A 26 -2.509 -14.509 -4.092 1.00 4.86 H new ATOM 425 N SER A 27 5.033 -8.857 -1.879 1.00 2.10 N ATOM 426 CA SER A 27 5.981 -8.908 -2.990 1.00 2.66 C ATOM 427 C SER A 27 7.374 -8.626 -2.471 1.00 2.39 C ATOM 428 O SER A 27 7.538 -8.180 -1.338 1.00 2.70 O ATOM 429 CB SER A 27 5.631 -7.943 -4.132 1.00 3.73 C ATOM 430 OG SER A 27 4.706 -8.526 -5.038 1.00 4.43 O ATOM 0 H SER A 27 5.450 -8.565 -0.995 1.00 2.10 H new ATOM 0 HA SER A 27 5.929 -9.911 -3.414 1.00 2.66 H new ATOM 0 HB2 SER A 27 5.210 -7.026 -3.719 1.00 3.73 H new ATOM 0 HB3 SER A 27 6.539 -7.664 -4.666 1.00 3.73 H new ATOM 0 HG SER A 27 3.942 -8.885 -4.540 1.00 4.43 H new ATOM 436 N GLY A 28 8.369 -8.893 -3.290 1.00 2.45 N ATOM 437 CA GLY A 28 9.722 -8.561 -2.925 1.00 2.54 C ATOM 438 C GLY A 28 10.282 -9.503 -1.882 1.00 2.68 C ATOM 439 O GLY A 28 11.083 -9.099 -1.045 1.00 3.22 O ATOM 0 H GLY A 28 8.265 -9.335 -4.203 1.00 2.45 H new ATOM 0 HA2 GLY A 28 10.353 -8.589 -3.813 1.00 2.54 H new ATOM 0 HA3 GLY A 28 9.753 -7.540 -2.544 1.00 2.54 H new ATOM 443 N ASN A 29 9.847 -10.762 -1.953 1.00 2.60 N ATOM 444 CA ASN A 29 10.288 -11.832 -1.044 1.00 2.96 C ATOM 445 C ASN A 29 9.654 -11.707 0.342 1.00 2.76 C ATOM 446 O ASN A 29 9.607 -12.679 1.099 1.00 3.04 O ATOM 447 CB ASN A 29 11.816 -11.875 -0.911 1.00 3.49 C ATOM 448 CG ASN A 29 12.517 -12.143 -2.228 1.00 4.17 C ATOM 449 OD1 ASN A 29 12.755 -13.291 -2.598 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.866 -11.085 -2.939 1.00 4.63 N ATOM 0 H ASN A 29 9.171 -11.075 -2.650 1.00 2.60 H new ATOM 0 HA ASN A 29 9.951 -12.766 -1.493 1.00 2.96 H new ATOM 0 HB2 ASN A 29 12.167 -10.926 -0.505 1.00 3.49 H new ATOM 0 HB3 ASN A 29 12.091 -12.649 -0.195 1.00 3.49 H new ATOM 0 HD21 ASN A 29 13.351 -11.205 -3.828 1.00 4.63 H new ATOM 0 HD22 ASN A 29 12.651 -10.148 -2.598 1.00 4.63 H new ATOM 457 N THR A 30 9.167 -10.523 0.681 1.00 2.45 N ATOM 458 CA THR A 30 8.522 -10.316 1.966 1.00 2.33 C ATOM 459 C THR A 30 7.005 -10.238 1.808 1.00 2.07 C ATOM 460 O THR A 30 6.488 -9.549 0.928 1.00 2.10 O ATOM 461 CB THR A 30 9.065 -9.050 2.662 1.00 2.45 C ATOM 462 OG1 THR A 30 9.990 -8.391 1.795 1.00 2.93 O ATOM 463 CG2 THR A 30 9.758 -9.421 3.963 1.00 2.70 C ATOM 0 H THR A 30 9.206 -9.695 0.086 1.00 2.45 H new ATOM 0 HA THR A 30 8.754 -11.173 2.598 1.00 2.33 H new ATOM 0 HB THR A 30 8.233 -8.382 2.885 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.818 -8.912 1.743 1.00 2.93 H new ATOM 0 HG21 THR A 30 10.136 -8.519 4.444 1.00 2.70 H new ATOM 0 HG22 THR A 30 9.047 -9.915 4.626 1.00 2.70 H new ATOM 0 HG23 THR A 30 10.588 -10.096 3.754 1.00 2.70 H new ATOM 471 N ASN A 31 6.302 -10.990 2.638 1.00 1.97 N ATOM 472 CA ASN A 31 4.848 -11.037 2.590 1.00 1.75 C ATOM 473 C ASN A 31 4.284 -11.271 3.981 1.00 1.78 C ATOM 474 O ASN A 31 4.628 -12.248 4.645 1.00 2.34 O ATOM 475 CB ASN A 31 4.369 -12.135 1.628 1.00 2.09 C ATOM 476 CG ASN A 31 4.872 -13.524 1.987 1.00 2.43 C ATOM 477 OD1 ASN A 31 5.978 -13.911 1.607 1.00 2.89 O ATOM 478 ND2 ASN A 31 4.062 -14.291 2.702 1.00 2.98 N ATOM 0 H ASN A 31 6.717 -11.581 3.359 1.00 1.97 H new ATOM 0 HA ASN A 31 4.486 -10.078 2.220 1.00 1.75 H new ATOM 0 HB2 ASN A 31 3.279 -12.145 1.616 1.00 2.09 H new ATOM 0 HB3 ASN A 31 4.697 -11.889 0.618 1.00 2.09 H new ATOM 0 HD21 ASN A 31 4.347 -15.237 2.956 1.00 2.98 H new ATOM 0 HD22 ASN A 31 3.153 -13.936 2.999 1.00 2.98 H new ATOM 485 N VAL A 32 3.445 -10.355 4.436 1.00 1.39 N ATOM 486 CA VAL A 32 2.830 -10.484 5.743 1.00 1.52 C ATOM 487 C VAL A 32 1.616 -9.568 5.899 1.00 1.38 C ATOM 488 O VAL A 32 1.749 -8.356 6.088 1.00 2.10 O ATOM 489 CB VAL A 32 3.841 -10.255 6.868 1.00 2.13 C ATOM 490 CG1 VAL A 32 4.700 -9.132 6.453 1.00 2.68 C ATOM 491 CG2 VAL A 32 3.165 -9.998 8.208 1.00 2.64 C ATOM 0 H VAL A 32 3.176 -9.517 3.920 1.00 1.39 H new ATOM 0 HA VAL A 32 2.473 -11.511 5.821 1.00 1.52 H new ATOM 0 HB VAL A 32 4.440 -11.152 7.025 1.00 2.13 H new ATOM 0 HG11 VAL A 32 5.439 -8.933 7.229 1.00 2.68 H new ATOM 0 HG12 VAL A 32 5.209 -9.388 5.524 1.00 2.68 H new ATOM 0 HG13 VAL A 32 4.088 -8.243 6.299 1.00 2.68 H new ATOM 0 HG21 VAL A 32 3.924 -9.841 8.974 1.00 2.64 H new ATOM 0 HG22 VAL A 32 2.536 -9.111 8.134 1.00 2.64 H new ATOM 0 HG23 VAL A 32 2.550 -10.857 8.476 1.00 2.64 H new ATOM 501 N GLY A 33 0.426 -10.142 5.774 1.00 1.00 N ATOM 502 CA GLY A 33 -0.765 -9.395 6.095 1.00 1.43 C ATOM 503 C GLY A 33 -1.810 -9.365 4.999 1.00 0.99 C ATOM 504 O GLY A 33 -1.567 -8.861 3.896 1.00 1.13 O ATOM 0 H GLY A 33 0.269 -11.100 5.460 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -1.213 -9.820 6.993 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.481 -8.370 6.335 1.00 1.43 H new ATOM 508 N VAL A 34 -2.965 -9.943 5.300 1.00 0.80 N ATOM 509 CA VAL A 34 -4.180 -9.670 4.556 1.00 0.56 C ATOM 510 C VAL A 34 -5.186 -9.064 5.525 1.00 0.63 C ATOM 511 O VAL A 34 -6.031 -9.769 6.081 1.00 1.03 O ATOM 512 CB VAL A 34 -4.828 -10.912 3.933 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.975 -10.474 3.040 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.823 -11.720 3.151 1.00 1.06 C ATOM 0 H VAL A 34 -3.083 -10.610 6.063 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.908 -9.007 3.735 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.207 -11.552 4.730 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.443 -11.351 2.592 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.712 -9.933 3.633 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.595 -9.823 2.252 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.313 -12.594 2.722 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.407 -11.108 2.351 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -3.021 -12.043 3.814 1.00 1.06 H new ATOM 524 N GLN A 35 -5.087 -7.774 5.749 1.00 0.63 N ATOM 525 CA GLN A 35 -5.751 -7.159 6.854 1.00 0.85 C ATOM 526 C GLN A 35 -6.659 -6.019 6.395 1.00 0.70 C ATOM 527 O GLN A 35 -6.434 -5.412 5.353 1.00 0.82 O ATOM 528 CB GLN A 35 -4.674 -6.669 7.810 1.00 1.45 C ATOM 529 CG GLN A 35 -5.229 -5.986 9.015 1.00 2.06 C ATOM 530 CD GLN A 35 -4.256 -5.949 10.180 1.00 2.71 C ATOM 531 OE1 GLN A 35 -4.663 -5.955 11.340 1.00 3.16 O ATOM 532 NE2 GLN A 35 -2.967 -5.909 9.881 1.00 3.28 N ATOM 0 H GLN A 35 -4.546 -7.133 5.169 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.402 -7.876 7.355 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -4.066 -7.516 8.127 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -4.013 -5.982 7.282 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -5.509 -4.966 8.751 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -6.140 -6.496 9.327 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -2.670 -5.905 8.905 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -2.271 -5.882 10.626 1.00 3.28 H new ATOM 541 N TYR A 36 -7.700 -5.759 7.174 1.00 0.78 N ATOM 542 CA TYR A 36 -8.638 -4.687 6.880 1.00 0.73 C ATOM 543 C TYR A 36 -8.247 -3.416 7.615 1.00 0.78 C ATOM 544 O TYR A 36 -7.518 -3.461 8.611 1.00 1.06 O ATOM 545 CB TYR A 36 -10.055 -5.090 7.245 1.00 0.94 C ATOM 546 CG TYR A 36 -10.191 -5.460 8.678 1.00 1.62 C ATOM 547 CD1 TYR A 36 -9.748 -6.676 9.138 1.00 2.09 C ATOM 548 CD2 TYR A 36 -10.775 -4.585 9.553 1.00 2.13 C ATOM 549 CE1 TYR A 36 -9.884 -7.022 10.460 1.00 3.04 C ATOM 550 CE2 TYR A 36 -10.924 -4.905 10.884 1.00 3.13 C ATOM 551 CZ TYR A 36 -10.413 -6.164 11.335 1.00 3.57 C ATOM 552 OH TYR A 36 -10.625 -6.465 12.663 1.00 4.60 O ATOM 0 H TYR A 36 -7.916 -6.282 8.022 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.602 -4.495 5.808 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -10.733 -4.267 7.020 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.361 -5.933 6.625 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -9.286 -7.369 8.451 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -11.125 -3.628 9.194 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -9.560 -7.997 10.794 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -11.412 -4.226 11.568 1.00 3.13 H new ATOM 0 HH TYR A 36 -11.019 -5.690 13.115 1.00 4.60 H new ATOM 562 N LEU A 37 -8.731 -2.286 7.137 1.00 0.72 N ATOM 563 CA LEU A 37 -8.382 -1.014 7.732 1.00 0.89 C ATOM 564 C LEU A 37 -9.598 -0.095 7.769 1.00 0.70 C ATOM 565 O LEU A 37 -10.353 -0.004 6.795 1.00 0.61 O ATOM 566 CB LEU A 37 -7.216 -0.385 6.952 1.00 1.23 C ATOM 567 CG LEU A 37 -6.453 0.747 7.654 1.00 1.93 C ATOM 568 CD1 LEU A 37 -7.034 2.099 7.291 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.464 0.556 9.167 1.00 2.57 C ATOM 0 H LEU A 37 -9.365 -2.224 6.340 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.059 -1.167 8.762 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.505 -1.174 6.706 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.605 -0.001 6.009 1.00 1.23 H new ATOM 0 HG LEU A 37 -5.419 0.713 7.310 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -6.476 2.884 7.801 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -6.965 2.247 6.213 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -8.079 2.140 7.597 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -5.917 1.371 9.641 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -7.493 0.553 9.526 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -5.990 -0.393 9.417 1.00 2.57 H new ATOM 581 N ASN A 38 -9.789 0.536 8.926 1.00 0.78 N ATOM 582 CA ASN A 38 -10.897 1.449 9.174 1.00 0.73 C ATOM 583 C ASN A 38 -10.550 2.860 8.719 1.00 0.68 C ATOM 584 O ASN A 38 -9.386 3.244 8.651 1.00 0.75 O ATOM 585 CB ASN A 38 -11.208 1.483 10.672 1.00 0.94 C ATOM 586 CG ASN A 38 -11.425 0.105 11.270 1.00 1.62 C ATOM 587 OD1 ASN A 38 -10.470 -0.616 11.563 1.00 2.32 O ATOM 588 ND2 ASN A 38 -12.677 -0.254 11.494 1.00 2.29 N ATOM 0 H ASN A 38 -9.168 0.424 9.727 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.761 1.094 8.613 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.388 1.974 11.196 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.099 2.088 10.838 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -12.880 -1.156 11.924 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -13.441 0.371 11.237 1.00 2.29 H new ATOM 595 N PHE A 39 -11.592 3.637 8.476 1.00 0.68 N ATOM 596 CA PHE A 39 -11.479 4.992 7.937 1.00 0.72 C ATOM 597 C PHE A 39 -10.785 5.953 8.894 1.00 0.83 C ATOM 598 O PHE A 39 -10.254 6.988 8.488 1.00 1.66 O ATOM 599 CB PHE A 39 -12.879 5.485 7.560 1.00 0.85 C ATOM 600 CG PHE A 39 -13.146 6.929 7.879 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.650 7.933 7.073 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.911 7.272 8.979 1.00 1.43 C ATOM 603 CE1 PHE A 39 -12.908 9.261 7.356 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.173 8.597 9.273 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.672 9.593 8.458 1.00 2.03 C ATOM 0 H PHE A 39 -12.554 3.346 8.648 1.00 0.68 H new ATOM 0 HA PHE A 39 -10.846 4.961 7.050 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.028 5.330 6.491 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.616 4.871 8.077 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.053 7.678 6.210 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -14.308 6.495 9.616 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.513 10.037 6.717 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.768 8.853 10.137 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.877 10.629 8.682 1.00 2.03 H new ATOM 615 N LYS A 40 -10.754 5.591 10.148 1.00 0.86 N ATOM 616 CA LYS A 40 -10.232 6.483 11.176 1.00 0.97 C ATOM 617 C LYS A 40 -8.741 6.272 11.421 1.00 0.72 C ATOM 618 O LYS A 40 -8.173 6.889 12.326 1.00 1.17 O ATOM 619 CB LYS A 40 -10.974 6.289 12.494 1.00 1.52 C ATOM 620 CG LYS A 40 -12.481 6.156 12.352 1.00 2.18 C ATOM 621 CD LYS A 40 -13.182 6.235 13.702 1.00 2.89 C ATOM 622 CE LYS A 40 -12.616 5.241 14.709 1.00 3.36 C ATOM 623 NZ LYS A 40 -12.712 3.834 14.235 1.00 3.76 N ATOM 0 H LYS A 40 -11.081 4.689 10.493 1.00 0.86 H new ATOM 0 HA LYS A 40 -10.385 7.497 10.807 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -10.588 5.397 12.987 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.756 7.134 13.147 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -12.856 6.945 11.700 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -12.719 5.206 11.873 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -13.086 7.245 14.100 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -14.247 6.045 13.567 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -11.572 5.484 14.907 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -13.151 5.340 15.653 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -12.393 3.191 14.988 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -13.699 3.617 13.990 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -12.111 3.709 13.395 1.00 3.76 H new ATOM 637 N GLY A 41 -8.093 5.419 10.637 1.00 0.71 N ATOM 638 CA GLY A 41 -6.712 5.101 10.938 1.00 1.13 C ATOM 639 C GLY A 41 -5.850 4.760 9.736 1.00 0.94 C ATOM 640 O GLY A 41 -6.086 5.227 8.617 1.00 1.09 O ATOM 0 H GLY A 41 -8.486 4.953 9.819 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.265 5.950 11.456 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -6.692 4.259 11.630 1.00 1.13 H new ATOM 644 N THR A 42 -4.834 3.954 10.010 1.00 0.82 N ATOM 645 CA THR A 42 -3.838 3.521 9.041 1.00 0.68 C ATOM 646 C THR A 42 -3.422 2.094 9.361 1.00 0.65 C ATOM 647 O THR A 42 -3.480 1.676 10.518 1.00 0.75 O ATOM 648 CB THR A 42 -2.592 4.409 9.111 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.590 5.167 10.331 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.506 5.336 7.919 1.00 0.71 C ATOM 0 H THR A 42 -4.676 3.572 10.942 1.00 0.82 H new ATOM 0 HA THR A 42 -4.274 3.587 8.044 1.00 0.68 H new ATOM 0 HB THR A 42 -1.717 3.759 9.093 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.788 5.729 10.365 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.610 5.952 8.001 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.459 4.747 7.003 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.386 5.978 7.893 1.00 0.71 H new ATOM 658 N ARG A 43 -3.027 1.340 8.353 1.00 0.58 N ATOM 659 CA ARG A 43 -2.495 0.014 8.582 1.00 0.58 C ATOM 660 C ARG A 43 -1.138 -0.081 7.919 1.00 0.52 C ATOM 661 O ARG A 43 -1.040 -0.099 6.691 1.00 0.50 O ATOM 662 CB ARG A 43 -3.427 -1.059 8.038 1.00 0.67 C ATOM 663 CG ARG A 43 -3.095 -2.449 8.553 1.00 0.86 C ATOM 664 CD ARG A 43 -3.434 -2.595 10.027 1.00 1.27 C ATOM 665 NE ARG A 43 -4.878 -2.666 10.248 1.00 1.59 N ATOM 666 CZ ARG A 43 -5.447 -2.749 11.450 1.00 2.26 C ATOM 667 NH1 ARG A 43 -4.704 -2.711 12.550 1.00 2.74 N ATOM 668 NH2 ARG A 43 -6.766 -2.866 11.550 1.00 3.01 N ATOM 0 H ARG A 43 -3.065 1.622 7.374 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.401 -0.153 9.655 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -4.454 -0.813 8.309 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -3.376 -1.059 6.949 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.646 -3.192 7.977 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -2.035 -2.650 8.401 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -2.961 -3.495 10.421 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -3.023 -1.750 10.580 1.00 1.27 H new ATOM 0 HE ARG A 43 -5.488 -2.651 9.431 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -3.691 -2.618 12.478 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -5.146 -2.775 13.467 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -7.341 -2.892 10.708 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -7.204 -2.930 12.469 1.00 3.01 H new ATOM 682 N ILE A 44 -0.092 -0.119 8.722 1.00 0.52 N ATOM 683 CA ILE A 44 1.245 -0.014 8.185 1.00 0.51 C ATOM 684 C ILE A 44 2.096 -1.225 8.493 1.00 0.58 C ATOM 685 O ILE A 44 2.165 -1.705 9.624 1.00 0.66 O ATOM 686 CB ILE A 44 1.998 1.236 8.681 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.180 2.489 8.459 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.305 1.383 7.932 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.272 2.851 9.613 1.00 0.61 C ATOM 0 H ILE A 44 -0.143 -0.221 9.736 1.00 0.52 H new ATOM 0 HA ILE A 44 1.094 0.061 7.108 1.00 0.51 H new ATOM 0 HB ILE A 44 2.182 1.109 9.748 1.00 0.53 H new ATOM 0 HG12 ILE A 44 1.857 3.322 8.269 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.574 2.360 7.562 1.00 0.56 H new ATOM 0 HG21 ILE A 44 3.831 2.269 8.288 1.00 0.59 H new ATOM 0 HG22 ILE A 44 3.923 0.501 8.102 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.104 1.485 6.866 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.278 3.761 9.372 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.432 2.038 9.791 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.870 3.015 10.509 1.00 0.61 H new ATOM 701 N ILE A 45 2.711 -1.713 7.446 1.00 0.61 N ATOM 702 CA ILE A 45 3.793 -2.657 7.532 1.00 0.74 C ATOM 703 C ILE A 45 5.087 -1.905 7.470 1.00 0.77 C ATOM 704 O ILE A 45 5.124 -0.825 6.910 1.00 0.79 O ATOM 705 CB ILE A 45 3.744 -3.593 6.370 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.421 -4.237 6.350 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.844 -4.632 6.409 1.00 1.62 C ATOM 708 CD1 ILE A 45 2.158 -4.875 5.035 1.00 1.20 C ATOM 0 H ILE A 45 2.467 -1.458 6.489 1.00 0.61 H new ATOM 0 HA ILE A 45 3.710 -3.219 8.462 1.00 0.74 H new ATOM 0 HB ILE A 45 3.905 -3.019 5.457 1.00 0.95 H new ATOM 0 HG12 ILE A 45 2.366 -4.987 7.139 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.649 -3.496 6.559 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.759 -5.285 5.540 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.814 -4.135 6.396 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.752 -5.225 7.319 1.00 1.62 H new ATOM 0 HD11 ILE A 45 1.174 -5.343 5.048 1.00 1.20 H new ATOM 0 HD12 ILE A 45 2.190 -4.119 4.251 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.917 -5.632 4.840 1.00 1.20 H new ATOM 720 N LYS A 46 6.146 -2.456 7.988 1.00 0.90 N ATOM 721 CA LYS A 46 7.414 -1.753 7.907 1.00 0.97 C ATOM 722 C LYS A 46 8.604 -2.688 7.955 1.00 1.10 C ATOM 723 O LYS A 46 8.583 -3.706 8.648 1.00 1.20 O ATOM 724 CB LYS A 46 7.542 -0.684 9.007 1.00 1.10 C ATOM 725 CG LYS A 46 7.643 -1.220 10.433 1.00 1.35 C ATOM 726 CD LYS A 46 6.316 -1.757 10.947 1.00 1.85 C ATOM 727 CE LYS A 46 6.405 -2.136 12.417 1.00 2.11 C ATOM 728 NZ LYS A 46 7.388 -3.226 12.660 1.00 2.65 N ATOM 0 H LYS A 46 6.171 -3.360 8.459 1.00 0.90 H new ATOM 0 HA LYS A 46 7.419 -1.260 6.935 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.425 -0.079 8.801 1.00 1.10 H new ATOM 0 HB3 LYS A 46 6.680 -0.020 8.947 1.00 1.10 H new ATOM 0 HG2 LYS A 46 8.390 -2.013 10.468 1.00 1.35 H new ATOM 0 HG3 LYS A 46 7.990 -0.425 11.093 1.00 1.35 H new ATOM 0 HD2 LYS A 46 5.539 -1.005 10.810 1.00 1.85 H new ATOM 0 HD3 LYS A 46 6.023 -2.629 10.362 1.00 1.85 H new ATOM 0 HE2 LYS A 46 6.687 -1.259 13.000 1.00 2.11 H new ATOM 0 HE3 LYS A 46 5.423 -2.450 12.769 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 7.341 -3.520 13.656 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 7.165 -4.037 12.049 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 8.346 -2.884 12.445 1.00 2.65 H new ATOM 742 N PHE A 47 9.640 -2.320 7.211 1.00 1.20 N ATOM 743 CA PHE A 47 10.899 -3.060 7.199 1.00 1.41 C ATOM 744 C PHE A 47 12.071 -2.084 7.064 1.00 1.59 C ATOM 745 O PHE A 47 12.008 -1.129 6.293 1.00 1.68 O ATOM 746 CB PHE A 47 10.894 -4.149 6.105 1.00 1.50 C ATOM 747 CG PHE A 47 10.220 -5.426 6.569 1.00 1.87 C ATOM 748 CD1 PHE A 47 9.331 -6.075 5.721 1.00 2.53 C ATOM 749 CD2 PHE A 47 10.477 -5.997 7.821 1.00 2.17 C ATOM 750 CE1 PHE A 47 8.720 -7.253 6.094 1.00 3.14 C ATOM 751 CE2 PHE A 47 9.855 -7.181 8.192 1.00 2.69 C ATOM 752 CZ PHE A 47 8.979 -7.737 7.515 1.00 3.10 C ATOM 0 H PHE A 47 9.633 -1.503 6.600 1.00 1.20 H new ATOM 0 HA PHE A 47 11.019 -3.587 8.146 1.00 1.41 H new ATOM 0 HB2 PHE A 47 10.381 -3.771 5.221 1.00 1.50 H new ATOM 0 HB3 PHE A 47 11.920 -4.369 5.809 1.00 1.50 H new ATOM 0 HD1 PHE A 47 9.115 -5.649 4.752 1.00 2.53 H new ATOM 0 HD2 PHE A 47 11.163 -5.514 8.501 1.00 2.17 H new ATOM 0 HE1 PHE A 47 8.089 -7.805 5.413 1.00 3.14 H new ATOM 0 HE2 PHE A 47 10.151 -7.643 9.122 1.00 2.69 H new ATOM 0 HZ PHE A 47 8.406 -8.555 7.927 1.00 3.10 H new ATOM 762 N LYS A 48 13.132 -2.320 7.833 1.00 1.83 N ATOM 763 CA LYS A 48 14.120 -1.277 8.126 1.00 2.13 C ATOM 764 C LYS A 48 15.585 -1.766 8.013 1.00 2.50 C ATOM 765 O LYS A 48 16.237 -2.006 9.033 1.00 3.01 O ATOM 766 CB LYS A 48 13.859 -0.776 9.546 1.00 2.46 C ATOM 767 CG LYS A 48 13.762 -1.897 10.573 1.00 3.10 C ATOM 768 CD LYS A 48 13.450 -1.379 11.964 1.00 3.81 C ATOM 769 CE LYS A 48 13.387 -2.515 12.973 1.00 4.36 C ATOM 770 NZ LYS A 48 12.363 -3.532 12.609 1.00 4.90 N ATOM 0 H LYS A 48 13.332 -3.222 8.265 1.00 1.83 H new ATOM 0 HA LYS A 48 14.005 -0.487 7.384 1.00 2.13 H new ATOM 0 HB2 LYS A 48 14.659 -0.095 9.836 1.00 2.46 H new ATOM 0 HB3 LYS A 48 12.932 -0.202 9.557 1.00 2.46 H new ATOM 0 HG2 LYS A 48 12.987 -2.600 10.268 1.00 3.10 H new ATOM 0 HG3 LYS A 48 14.702 -2.448 10.596 1.00 3.10 H new ATOM 0 HD2 LYS A 48 14.213 -0.662 12.267 1.00 3.81 H new ATOM 0 HD3 LYS A 48 12.499 -0.847 11.952 1.00 3.81 H new ATOM 0 HE2 LYS A 48 14.364 -2.993 13.041 1.00 4.36 H new ATOM 0 HE3 LYS A 48 13.161 -2.111 13.960 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 12.197 -4.163 13.419 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 11.475 -3.055 12.354 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 12.701 -4.090 11.799 1.00 4.90 H new ATOM 784 N ASP A 49 16.128 -1.901 6.799 1.00 2.76 N ATOM 785 CA ASP A 49 17.529 -2.337 6.656 1.00 3.32 C ATOM 786 C ASP A 49 18.142 -1.860 5.329 1.00 3.36 C ATOM 787 O ASP A 49 17.643 -0.910 4.724 1.00 3.77 O ATOM 788 CB ASP A 49 17.624 -3.856 6.769 1.00 4.26 C ATOM 789 CG ASP A 49 18.941 -4.315 7.361 1.00 4.93 C ATOM 790 OD1 ASP A 49 19.847 -4.701 6.591 1.00 5.45 O ATOM 791 OD2 ASP A 49 19.080 -4.284 8.600 1.00 5.24 O ATOM 0 H ASP A 49 15.639 -1.722 5.922 1.00 2.76 H new ATOM 0 HA ASP A 49 18.101 -1.882 7.465 1.00 3.32 H new ATOM 0 HB2 ASP A 49 16.805 -4.223 7.387 1.00 4.26 H new ATOM 0 HB3 ASP A 49 17.500 -4.299 5.781 1.00 4.26 H new ATOM 796 N ASP A 50 19.235 -2.507 4.889 1.00 3.50 N ATOM 797 CA ASP A 50 20.002 -2.042 3.728 1.00 3.96 C ATOM 798 C ASP A 50 20.954 -3.111 3.189 1.00 4.13 C ATOM 799 O ASP A 50 21.960 -3.457 3.809 1.00 4.41 O ATOM 800 CB ASP A 50 20.773 -0.748 4.057 1.00 4.66 C ATOM 801 CG ASP A 50 21.714 -0.867 5.246 1.00 5.23 C ATOM 802 OD1 ASP A 50 22.942 -0.714 5.062 1.00 5.65 O ATOM 803 OD2 ASP A 50 21.239 -1.162 6.362 1.00 5.56 O ATOM 0 H ASP A 50 19.605 -3.353 5.322 1.00 3.50 H new ATOM 0 HA ASP A 50 19.279 -1.829 2.941 1.00 3.96 H new ATOM 0 HB2 ASP A 50 21.349 -0.449 3.181 1.00 4.66 H new ATOM 0 HB3 ASP A 50 20.056 0.049 4.254 1.00 4.66 H new ATOM 808 N GLY A 51 20.587 -3.649 2.035 1.00 4.42 N ATOM 809 CA GLY A 51 21.436 -4.580 1.304 1.00 5.01 C ATOM 810 C GLY A 51 20.997 -4.721 -0.149 1.00 5.12 C ATOM 811 O GLY A 51 20.840 -5.832 -0.651 1.00 5.72 O ATOM 0 H GLY A 51 19.695 -3.454 1.580 1.00 4.42 H new ATOM 0 HA2 GLY A 51 22.469 -4.235 1.340 1.00 5.01 H new ATOM 0 HA3 GLY A 51 21.408 -5.556 1.789 1.00 5.01 H new ATOM 815 N THR A 52 20.806 -3.579 -0.814 1.00 4.86 N ATOM 816 CA THR A 52 20.256 -3.504 -2.185 1.00 5.25 C ATOM 817 C THR A 52 19.073 -4.435 -2.398 1.00 5.04 C ATOM 818 O THR A 52 18.205 -4.500 -1.543 1.00 4.76 O ATOM 819 CB THR A 52 21.286 -3.746 -3.281 1.00 5.76 C ATOM 820 OG1 THR A 52 21.953 -5.004 -3.107 1.00 5.54 O ATOM 821 CG2 THR A 52 22.291 -2.617 -3.334 1.00 6.40 C ATOM 0 H THR A 52 21.029 -2.666 -0.418 1.00 4.86 H new ATOM 0 HA THR A 52 19.917 -2.472 -2.270 1.00 5.25 H new ATOM 0 HB THR A 52 20.752 -3.779 -4.231 1.00 5.76 H new ATOM 0 HG1 THR A 52 21.545 -5.490 -2.360 1.00 5.54 H new ATOM 0 HG21 THR A 52 23.016 -2.812 -4.124 1.00 6.40 H new ATOM 0 HG22 THR A 52 21.774 -1.679 -3.539 1.00 6.40 H new ATOM 0 HG23 THR A 52 22.808 -2.545 -2.377 1.00 6.40 H new ATOM 829 N GLU A 53 19.051 -5.125 -3.552 1.00 5.50 N ATOM 830 CA GLU A 53 17.971 -6.009 -3.971 1.00 5.71 C ATOM 831 C GLU A 53 16.632 -5.613 -3.365 1.00 5.89 C ATOM 832 O GLU A 53 15.977 -6.419 -2.705 1.00 6.33 O ATOM 833 CB GLU A 53 18.329 -7.441 -3.613 1.00 6.53 C ATOM 834 CG GLU A 53 19.726 -7.846 -4.051 1.00 6.78 C ATOM 835 CD GLU A 53 20.048 -9.285 -3.714 1.00 7.39 C ATOM 836 OE1 GLU A 53 19.992 -10.142 -4.621 1.00 7.81 O ATOM 837 OE2 GLU A 53 20.354 -9.571 -2.540 1.00 7.67 O ATOM 0 H GLU A 53 19.810 -5.075 -4.232 1.00 5.50 H new ATOM 0 HA GLU A 53 17.857 -5.920 -5.051 1.00 5.71 H new ATOM 0 HB2 GLU A 53 18.244 -7.569 -2.534 1.00 6.53 H new ATOM 0 HB3 GLU A 53 17.604 -8.113 -4.072 1.00 6.53 H new ATOM 0 HG2 GLU A 53 19.822 -7.699 -5.127 1.00 6.78 H new ATOM 0 HG3 GLU A 53 20.456 -7.193 -3.573 1.00 6.78 H new ATOM 844 N ARG A 54 16.260 -4.349 -3.568 1.00 5.89 N ATOM 845 CA ARG A 54 15.020 -3.796 -2.984 1.00 6.41 C ATOM 846 C ARG A 54 13.822 -4.750 -3.115 1.00 5.90 C ATOM 847 O ARG A 54 13.158 -5.046 -2.120 1.00 6.48 O ATOM 848 CB ARG A 54 14.661 -2.436 -3.599 1.00 7.06 C ATOM 849 CG ARG A 54 15.495 -1.271 -3.082 1.00 7.90 C ATOM 850 CD ARG A 54 16.921 -1.328 -3.592 1.00 8.75 C ATOM 851 NE ARG A 54 17.753 -0.261 -3.048 1.00 9.31 N ATOM 852 CZ ARG A 54 18.939 0.078 -3.554 1.00 10.15 C ATOM 853 NH1 ARG A 54 19.398 -0.535 -4.640 1.00 10.53 N ATOM 854 NH2 ARG A 54 19.660 1.035 -2.986 1.00 10.77 N ATOM 0 H ARG A 54 16.792 -3.684 -4.129 1.00 5.89 H new ATOM 0 HA ARG A 54 15.230 -3.665 -1.923 1.00 6.41 H new ATOM 0 HB2 ARG A 54 14.778 -2.498 -4.681 1.00 7.06 H new ATOM 0 HB3 ARG A 54 13.609 -2.229 -3.403 1.00 7.06 H new ATOM 0 HG2 ARG A 54 15.036 -0.331 -3.390 1.00 7.90 H new ATOM 0 HG3 ARG A 54 15.498 -1.282 -1.992 1.00 7.90 H new ATOM 0 HD2 ARG A 54 17.358 -2.292 -3.333 1.00 8.75 H new ATOM 0 HD3 ARG A 54 16.917 -1.262 -4.680 1.00 8.75 H new ATOM 0 HE ARG A 54 17.409 0.253 -2.237 1.00 9.31 H new ATOM 0 HH11 ARG A 54 18.843 -1.265 -5.087 1.00 10.53 H new ATOM 0 HH12 ARG A 54 20.305 -0.276 -5.027 1.00 10.53 H new ATOM 0 HH21 ARG A 54 19.308 1.516 -2.158 1.00 10.77 H new ATOM 0 HH22 ARG A 54 20.567 1.291 -3.377 1.00 10.77 H new ATOM 868 N SER A 55 13.565 -5.223 -4.337 1.00 5.08 N ATOM 869 CA SER A 55 12.551 -6.250 -4.618 1.00 4.86 C ATOM 870 C SER A 55 11.136 -5.674 -4.562 1.00 3.87 C ATOM 871 O SER A 55 10.382 -5.806 -5.525 1.00 3.94 O ATOM 872 CB SER A 55 12.713 -7.434 -3.661 1.00 5.52 C ATOM 873 OG SER A 55 14.041 -7.930 -3.683 1.00 6.28 O ATOM 0 H SER A 55 14.059 -4.902 -5.170 1.00 5.08 H new ATOM 0 HA SER A 55 12.706 -6.610 -5.635 1.00 4.86 H new ATOM 0 HB2 SER A 55 12.454 -7.125 -2.648 1.00 5.52 H new ATOM 0 HB3 SER A 55 12.020 -8.228 -3.939 1.00 5.52 H new ATOM 0 HG SER A 55 14.633 -7.302 -3.218 1.00 6.28 H new ATOM 879 N ARG A 56 10.794 -5.057 -3.438 1.00 3.37 N ATOM 880 CA ARG A 56 9.568 -4.252 -3.293 1.00 2.70 C ATOM 881 C ARG A 56 8.249 -5.050 -3.333 1.00 2.24 C ATOM 882 O ARG A 56 8.161 -6.123 -3.921 1.00 2.47 O ATOM 883 CB ARG A 56 9.609 -3.117 -4.338 1.00 3.43 C ATOM 884 CG ARG A 56 8.369 -2.945 -5.220 1.00 4.15 C ATOM 885 CD ARG A 56 8.386 -3.879 -6.421 1.00 4.75 C ATOM 886 NE ARG A 56 7.535 -3.398 -7.509 1.00 5.53 N ATOM 887 CZ ARG A 56 7.511 -3.941 -8.726 1.00 6.18 C ATOM 888 NH1 ARG A 56 8.234 -5.025 -8.984 1.00 6.21 N ATOM 889 NH2 ARG A 56 6.761 -3.406 -9.681 1.00 7.08 N ATOM 0 H ARG A 56 11.358 -5.096 -2.589 1.00 3.37 H new ATOM 0 HA ARG A 56 9.564 -3.839 -2.284 1.00 2.70 H new ATOM 0 HB2 ARG A 56 9.785 -2.178 -3.813 1.00 3.43 H new ATOM 0 HB3 ARG A 56 10.468 -3.285 -4.988 1.00 3.43 H new ATOM 0 HG2 ARG A 56 7.474 -3.134 -4.627 1.00 4.15 H new ATOM 0 HG3 ARG A 56 8.311 -1.913 -5.565 1.00 4.15 H new ATOM 0 HD2 ARG A 56 9.409 -3.985 -6.782 1.00 4.75 H new ATOM 0 HD3 ARG A 56 8.053 -4.870 -6.113 1.00 4.75 H new ATOM 0 HE ARG A 56 6.925 -2.601 -7.326 1.00 5.53 H new ATOM 0 HH11 ARG A 56 8.808 -5.442 -8.251 1.00 6.21 H new ATOM 0 HH12 ARG A 56 8.216 -5.441 -9.915 1.00 6.21 H new ATOM 0 HH21 ARG A 56 6.201 -2.577 -9.485 1.00 7.08 H new ATOM 0 HH22 ARG A 56 6.745 -3.824 -10.611 1.00 7.08 H new ATOM 903 N TRP A 57 7.208 -4.448 -2.735 1.00 1.83 N ATOM 904 CA TRP A 57 5.961 -5.136 -2.382 1.00 1.49 C ATOM 905 C TRP A 57 4.841 -4.805 -3.366 1.00 1.19 C ATOM 906 O TRP A 57 4.975 -3.909 -4.202 1.00 1.43 O ATOM 907 CB TRP A 57 5.512 -4.708 -0.976 1.00 1.69 C ATOM 908 CG TRP A 57 6.354 -5.228 0.137 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.707 -5.190 0.226 1.00 1.56 C ATOM 910 CD2 TRP A 57 5.886 -5.834 1.339 1.00 2.78 C ATOM 911 NE1 TRP A 57 8.118 -5.725 1.414 1.00 1.85 N ATOM 912 CE2 TRP A 57 7.014 -6.135 2.117 1.00 2.70 C ATOM 913 CE3 TRP A 57 4.619 -6.149 1.833 1.00 3.91 C ATOM 914 CZ2 TRP A 57 6.913 -6.733 3.365 1.00 3.65 C ATOM 915 CZ3 TRP A 57 4.521 -6.749 3.071 1.00 4.90 C ATOM 916 CH2 TRP A 57 5.662 -7.034 3.825 1.00 4.75 C ATOM 0 H TRP A 57 7.211 -3.460 -2.482 1.00 1.83 H new ATOM 0 HA TRP A 57 6.156 -6.208 -2.415 1.00 1.49 H new ATOM 0 HB2 TRP A 57 5.505 -3.619 -0.929 1.00 1.69 H new ATOM 0 HB3 TRP A 57 4.486 -5.040 -0.821 1.00 1.69 H new ATOM 0 HD1 TRP A 57 8.365 -4.794 -0.533 1.00 1.56 H new ATOM 0 HE1 TRP A 57 9.086 -5.806 1.726 1.00 1.85 H new ATOM 0 HE3 TRP A 57 3.733 -5.927 1.257 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 7.792 -6.953 3.952 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 3.547 -7.002 3.464 1.00 4.90 H new ATOM 0 HH2 TRP A 57 5.553 -7.502 4.792 1.00 4.75 H new ATOM 927 N ASN A 58 3.743 -5.544 -3.271 1.00 0.91 N ATOM 928 CA ASN A 58 2.530 -5.220 -4.011 1.00 0.71 C ATOM 929 C ASN A 58 1.306 -5.594 -3.176 1.00 0.59 C ATOM 930 O ASN A 58 1.196 -6.727 -2.699 1.00 0.71 O ATOM 931 CB ASN A 58 2.521 -5.955 -5.351 1.00 0.74 C ATOM 932 CG ASN A 58 1.222 -5.794 -6.112 1.00 1.23 C ATOM 933 OD1 ASN A 58 0.299 -6.598 -5.965 1.00 2.05 O ATOM 934 ND2 ASN A 58 1.150 -4.769 -6.947 1.00 1.91 N ATOM 0 H ASN A 58 3.668 -6.376 -2.686 1.00 0.91 H new ATOM 0 HA ASN A 58 2.501 -4.149 -4.211 1.00 0.71 H new ATOM 0 HB2 ASN A 58 3.342 -5.586 -5.965 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.704 -7.015 -5.177 1.00 0.74 H new ATOM 0 HD21 ASN A 58 0.306 -4.620 -7.500 1.00 1.91 H new ATOM 0 HD22 ASN A 58 1.938 -4.128 -7.037 1.00 1.91 H new ATOM 941 N CYS A 59 0.406 -4.639 -2.983 1.00 0.55 N ATOM 942 CA CYS A 59 -0.770 -4.853 -2.141 1.00 0.50 C ATOM 943 C CYS A 59 -1.994 -5.156 -3.003 1.00 0.44 C ATOM 944 O CYS A 59 -2.078 -4.705 -4.144 1.00 0.56 O ATOM 945 CB CYS A 59 -1.059 -3.633 -1.250 1.00 0.60 C ATOM 946 SG CYS A 59 0.355 -2.971 -0.283 1.00 0.76 S ATOM 0 H CYS A 59 0.465 -3.708 -3.396 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.557 -5.705 -1.496 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.445 -2.833 -1.882 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.854 -3.900 -0.553 1.00 0.60 H new ATOM 951 N LEU A 60 -2.941 -5.920 -2.464 1.00 0.36 N ATOM 952 CA LEU A 60 -4.113 -6.316 -3.214 1.00 0.34 C ATOM 953 C LEU A 60 -5.347 -6.156 -2.335 1.00 0.29 C ATOM 954 O LEU A 60 -5.448 -6.791 -1.296 1.00 0.32 O ATOM 955 CB LEU A 60 -3.937 -7.772 -3.658 1.00 0.44 C ATOM 956 CG LEU A 60 -5.004 -8.329 -4.597 1.00 1.27 C ATOM 957 CD1 LEU A 60 -5.004 -7.586 -5.923 1.00 1.90 C ATOM 958 CD2 LEU A 60 -4.779 -9.817 -4.817 1.00 1.85 C ATOM 0 H LEU A 60 -2.912 -6.274 -1.508 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.239 -5.690 -4.097 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -2.968 -7.865 -4.149 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -3.905 -8.399 -2.767 1.00 0.44 H new ATOM 0 HG LEU A 60 -5.980 -8.185 -4.134 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -5.773 -8.002 -6.573 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -5.209 -6.530 -5.748 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -4.029 -7.692 -6.400 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -5.545 -10.205 -5.488 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -3.795 -9.975 -5.259 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -4.835 -10.339 -3.862 1.00 1.85 H new ATOM 970 N PHE A 61 -6.291 -5.330 -2.748 1.00 0.29 N ATOM 971 CA PHE A 61 -7.443 -5.028 -1.886 1.00 0.28 C ATOM 972 C PHE A 61 -8.630 -5.893 -2.255 1.00 0.37 C ATOM 973 O PHE A 61 -9.071 -5.883 -3.391 1.00 0.48 O ATOM 974 CB PHE A 61 -7.900 -3.567 -2.000 1.00 0.32 C ATOM 975 CG PHE A 61 -7.009 -2.538 -1.373 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.635 -2.631 -1.457 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.558 -1.427 -0.763 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.832 -1.645 -0.958 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.757 -0.437 -0.251 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.387 -0.537 -0.356 1.00 0.37 C ATOM 0 H PHE A 61 -6.294 -4.860 -3.653 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.108 -5.225 -0.868 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -8.010 -3.325 -3.057 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.889 -3.482 -1.549 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.188 -3.496 -1.924 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.632 -1.336 -0.688 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.759 -1.734 -1.036 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -7.201 0.420 0.234 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.753 0.247 0.031 1.00 0.37 H new ATOM 990 N ARG A 62 -9.164 -6.598 -1.276 1.00 0.47 N ATOM 991 CA ARG A 62 -10.270 -7.515 -1.494 1.00 0.66 C ATOM 992 C ARG A 62 -11.472 -7.113 -0.639 1.00 0.89 C ATOM 993 O ARG A 62 -11.316 -6.703 0.513 1.00 1.05 O ATOM 994 CB ARG A 62 -9.834 -8.937 -1.129 1.00 0.84 C ATOM 995 CG ARG A 62 -10.938 -9.975 -1.238 1.00 1.49 C ATOM 996 CD ARG A 62 -10.427 -11.371 -0.916 1.00 1.88 C ATOM 997 NE ARG A 62 -9.855 -11.460 0.429 1.00 2.29 N ATOM 998 CZ ARG A 62 -9.058 -12.452 0.832 1.00 2.86 C ATOM 999 NH1 ARG A 62 -8.748 -13.438 0.000 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -8.573 -12.461 2.068 1.00 3.63 N ATOM 0 H ARG A 62 -8.845 -6.552 -0.308 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.558 -7.477 -2.545 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -9.010 -9.230 -1.779 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.451 -8.937 -0.109 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -11.749 -9.718 -0.557 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -11.352 -9.962 -2.246 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -11.246 -12.085 -1.008 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -9.672 -11.656 -1.649 1.00 1.88 H new ATOM 0 HE ARG A 62 -10.078 -10.722 1.096 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -9.119 -13.439 -0.950 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -8.139 -14.195 0.311 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -8.809 -11.708 2.714 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -7.964 -13.221 2.371 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.657 -7.217 -1.222 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.908 -7.004 -0.503 1.00 1.48 C ATOM 1016 C GLN A 63 -15.056 -7.492 -1.379 1.00 2.09 C ATOM 1017 O GLN A 63 -15.494 -6.790 -2.292 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.094 -5.529 -0.127 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.273 -5.275 0.801 1.00 2.15 C ATOM 1020 CD GLN A 63 -15.163 -6.041 2.107 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -15.631 -7.173 2.214 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -14.552 -5.428 3.109 1.00 3.03 N ATOM 0 H GLN A 63 -12.780 -7.451 -2.207 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.889 -7.567 0.430 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.183 -5.168 0.351 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.229 -4.946 -1.038 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -15.340 -4.208 1.014 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -16.196 -5.557 0.295 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -14.177 -4.488 2.979 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -14.456 -5.896 4.010 1.00 3.03 H new ATOM 1031 N GLY A 64 -15.519 -8.700 -1.091 1.00 2.55 N ATOM 1032 CA GLY A 64 -16.406 -9.420 -1.989 1.00 3.28 C ATOM 1033 C GLY A 64 -17.710 -8.718 -2.320 1.00 3.41 C ATOM 1034 O GLY A 64 -18.369 -8.140 -1.451 1.00 3.88 O ATOM 0 H GLY A 64 -15.292 -9.204 -0.234 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -15.872 -9.616 -2.919 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -16.637 -10.388 -1.545 1.00 3.28 H new ATOM 1038 N ILE A 65 -18.056 -8.768 -3.603 1.00 3.49 N ATOM 1039 CA ILE A 65 -19.355 -8.345 -4.094 1.00 3.94 C ATOM 1040 C ILE A 65 -19.731 -9.174 -5.334 1.00 4.01 C ATOM 1041 O ILE A 65 -20.522 -10.115 -5.244 1.00 4.32 O ATOM 1042 CB ILE A 65 -19.397 -6.827 -4.375 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -20.688 -6.424 -5.094 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -18.176 -6.401 -5.146 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -21.935 -6.619 -4.262 1.00 5.57 C ATOM 0 H ILE A 65 -17.433 -9.108 -4.335 1.00 3.49 H new ATOM 0 HA ILE A 65 -20.099 -8.527 -3.318 1.00 3.94 H new ATOM 0 HB ILE A 65 -19.391 -6.304 -3.418 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -20.618 -5.376 -5.387 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -20.779 -7.006 -6.011 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -18.221 -5.329 -5.336 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -17.282 -6.629 -4.566 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -18.140 -6.936 -6.095 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -22.808 -6.312 -4.838 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -22.030 -7.670 -3.990 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -21.867 -6.015 -3.357 1.00 5.57 H new ATOM 1057 N ASN A 66 -19.153 -8.833 -6.473 1.00 4.06 N ATOM 1058 CA ASN A 66 -19.233 -9.650 -7.675 1.00 4.27 C ATOM 1059 C ASN A 66 -17.842 -10.198 -7.964 1.00 4.09 C ATOM 1060 O ASN A 66 -17.055 -10.392 -7.035 1.00 4.26 O ATOM 1061 CB ASN A 66 -19.748 -8.833 -8.866 1.00 4.76 C ATOM 1062 CG ASN A 66 -21.202 -8.430 -8.720 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -22.105 -9.178 -9.092 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -21.440 -7.239 -8.197 1.00 6.08 N ATOM 0 H ASN A 66 -18.612 -7.977 -6.592 1.00 4.06 H new ATOM 0 HA ASN A 66 -19.937 -10.467 -7.518 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -19.137 -7.937 -8.977 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -19.628 -9.416 -9.779 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -22.400 -6.912 -8.090 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -20.664 -6.648 -7.900 1.00 6.08 H new ATOM 1071 N MET A 67 -17.535 -10.452 -9.231 1.00 4.09 N ATOM 1072 CA MET A 67 -16.170 -10.796 -9.625 1.00 4.13 C ATOM 1073 C MET A 67 -15.270 -9.573 -9.444 1.00 3.60 C ATOM 1074 O MET A 67 -14.047 -9.681 -9.343 1.00 3.77 O ATOM 1075 CB MET A 67 -16.131 -11.268 -11.082 1.00 4.54 C ATOM 1076 CG MET A 67 -14.760 -11.742 -11.531 1.00 5.19 C ATOM 1077 SD MET A 67 -14.725 -12.225 -13.267 1.00 6.00 S ATOM 1078 CE MET A 67 -13.003 -12.676 -13.448 1.00 6.30 C ATOM 0 H MET A 67 -18.206 -10.427 -9.999 1.00 4.09 H new ATOM 0 HA MET A 67 -15.812 -11.610 -8.995 1.00 4.13 H new ATOM 0 HB2 MET A 67 -16.847 -12.079 -11.212 1.00 4.54 H new ATOM 0 HB3 MET A 67 -16.454 -10.452 -11.728 1.00 4.54 H new ATOM 0 HG2 MET A 67 -14.033 -10.947 -11.365 1.00 5.19 H new ATOM 0 HG3 MET A 67 -14.453 -12.588 -10.916 1.00 5.19 H new ATOM 0 HE1 MET A 67 -12.817 -12.999 -14.472 1.00 6.30 H new ATOM 0 HE2 MET A 67 -12.375 -11.814 -13.220 1.00 6.30 H new ATOM 0 HE3 MET A 67 -12.766 -13.489 -12.762 1.00 6.30 H new ATOM 1088 N LYS A 68 -15.904 -8.411 -9.402 1.00 3.30 N ATOM 1089 CA LYS A 68 -15.217 -7.152 -9.162 1.00 3.12 C ATOM 1090 C LYS A 68 -15.062 -6.901 -7.668 1.00 2.78 C ATOM 1091 O LYS A 68 -15.930 -6.288 -7.058 1.00 3.25 O ATOM 1092 CB LYS A 68 -16.026 -6.003 -9.756 1.00 3.71 C ATOM 1093 CG LYS A 68 -16.268 -6.111 -11.252 1.00 4.30 C ATOM 1094 CD LYS A 68 -16.956 -4.865 -11.792 1.00 4.85 C ATOM 1095 CE LYS A 68 -18.310 -4.645 -11.138 1.00 5.37 C ATOM 1096 NZ LYS A 68 -18.951 -3.382 -11.587 1.00 5.81 N ATOM 0 H LYS A 68 -16.911 -8.315 -9.534 1.00 3.30 H new ATOM 0 HA LYS A 68 -14.233 -7.209 -9.628 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -16.989 -5.952 -9.248 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -15.508 -5.066 -9.551 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -15.318 -6.257 -11.767 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -16.881 -6.987 -11.461 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -16.322 -3.995 -11.619 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -17.083 -4.958 -12.871 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -18.965 -5.485 -11.370 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -18.189 -4.624 -10.055 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -19.872 -3.273 -11.116 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -18.340 -2.577 -11.343 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -19.091 -3.411 -12.617 1.00 5.81 H new ATOM 1110 N PHE A 69 -13.972 -7.355 -7.074 1.00 2.52 N ATOM 1111 CA PHE A 69 -13.788 -7.183 -5.638 1.00 2.44 C ATOM 1112 C PHE A 69 -12.309 -7.131 -5.267 1.00 2.04 C ATOM 1113 O PHE A 69 -11.886 -7.706 -4.263 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.513 -8.301 -4.864 1.00 3.01 C ATOM 1115 CG PHE A 69 -13.949 -9.689 -5.055 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -13.380 -10.368 -3.988 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -13.992 -10.316 -6.290 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -12.866 -11.640 -4.151 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -13.479 -11.587 -6.460 1.00 5.20 C ATOM 1120 CZ PHE A 69 -12.916 -12.251 -5.387 1.00 6.01 C ATOM 0 H PHE A 69 -13.211 -7.838 -7.551 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.228 -6.227 -5.355 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.488 -8.060 -3.801 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -15.561 -8.308 -5.165 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -13.338 -9.896 -3.017 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -14.433 -9.803 -7.132 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -12.425 -12.156 -3.311 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -13.518 -12.061 -7.430 1.00 5.20 H new ATOM 0 HZ PHE A 69 -12.516 -13.246 -5.516 1.00 6.01 H new ATOM 1130 N PHE A 70 -11.539 -6.380 -6.045 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.099 -6.351 -5.889 1.00 0.92 C ATOM 1132 C PHE A 70 -9.481 -5.088 -6.479 1.00 0.79 C ATOM 1133 O PHE A 70 -10.089 -4.401 -7.301 1.00 1.19 O ATOM 1134 CB PHE A 70 -9.527 -7.555 -6.586 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.175 -8.676 -5.672 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.324 -8.484 -4.599 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -9.692 -9.926 -5.892 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -8.004 -9.525 -3.766 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -9.381 -10.967 -5.074 1.00 3.59 C ATOM 1140 CZ PHE A 70 -8.513 -10.733 -3.953 1.00 3.63 C ATOM 0 H PHE A 70 -11.894 -5.783 -6.792 1.00 1.22 H new ATOM 0 HA PHE A 70 -9.867 -6.360 -4.824 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -10.248 -7.913 -7.321 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -8.635 -7.254 -7.135 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -7.907 -7.505 -4.415 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -10.357 -10.087 -6.728 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.325 -9.357 -2.943 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -9.780 -11.953 -5.264 1.00 3.59 H new ATOM 0 HZ PHE A 70 -8.278 -11.535 -3.269 1.00 3.63 H new ATOM 1150 N THR A 71 -8.278 -4.795 -6.029 1.00 0.58 N ATOM 1151 CA THR A 71 -7.436 -3.771 -6.636 1.00 0.49 C ATOM 1152 C THR A 71 -6.000 -4.054 -6.278 1.00 0.40 C ATOM 1153 O THR A 71 -5.700 -4.486 -5.170 1.00 0.49 O ATOM 1154 CB THR A 71 -7.806 -2.317 -6.245 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.398 -1.428 -7.295 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.138 -1.866 -4.951 1.00 0.48 C ATOM 0 H THR A 71 -7.850 -5.260 -5.228 1.00 0.58 H new ATOM 0 HA THR A 71 -7.599 -3.828 -7.712 1.00 0.49 H new ATOM 0 HB THR A 71 -8.885 -2.292 -6.093 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.154 -0.863 -7.557 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.433 -0.841 -4.727 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.447 -2.519 -4.135 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.055 -1.915 -5.064 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.118 -3.851 -7.217 1.00 0.49 N ATOM 1165 CA GLU A 72 -3.736 -4.177 -7.005 1.00 0.45 C ATOM 1166 C GLU A 72 -2.898 -2.904 -7.006 1.00 0.47 C ATOM 1167 O GLU A 72 -2.856 -2.180 -8.001 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.283 -5.150 -8.091 1.00 0.63 C ATOM 1169 CG GLU A 72 -1.802 -5.468 -8.070 1.00 1.19 C ATOM 1170 CD GLU A 72 -1.409 -6.473 -9.130 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -0.825 -6.068 -10.153 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -1.690 -7.675 -8.951 1.00 1.80 O ATOM 0 H GLU A 72 -5.331 -3.462 -8.135 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.605 -4.657 -6.035 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -3.843 -6.079 -7.985 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.539 -4.733 -9.065 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.235 -4.549 -8.217 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -1.531 -5.856 -7.088 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.248 -2.629 -5.889 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.500 -1.395 -5.732 1.00 0.52 C ATOM 1181 C VAL A 73 -0.026 -1.699 -5.500 1.00 0.64 C ATOM 1182 O VAL A 73 0.308 -2.588 -4.718 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.015 -0.560 -4.545 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.803 0.921 -4.814 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.475 -0.859 -4.237 1.00 0.53 C ATOM 0 H VAL A 73 -2.223 -3.245 -5.076 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.633 -0.823 -6.650 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.440 -0.839 -3.662 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.171 1.501 -3.968 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.740 1.117 -4.953 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.346 1.209 -5.714 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.801 -0.250 -3.394 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.086 -0.627 -5.109 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.585 -1.914 -3.987 1.00 0.53 H new ATOM 1195 N GLU A 74 0.856 -0.973 -6.172 1.00 0.80 N ATOM 1196 CA GLU A 74 2.284 -1.189 -5.996 1.00 0.96 C ATOM 1197 C GLU A 74 2.742 -0.675 -4.650 1.00 0.98 C ATOM 1198 O GLU A 74 2.414 0.440 -4.237 1.00 1.16 O ATOM 1199 CB GLU A 74 3.098 -0.533 -7.101 1.00 1.24 C ATOM 1200 CG GLU A 74 4.574 -0.900 -7.043 1.00 1.49 C ATOM 1201 CD GLU A 74 5.325 -0.523 -8.297 1.00 1.71 C ATOM 1202 OE1 GLU A 74 5.223 -1.267 -9.292 1.00 2.25 O ATOM 1203 OE2 GLU A 74 6.038 0.500 -8.287 1.00 2.02 O ATOM 0 H GLU A 74 0.612 -0.238 -6.836 1.00 0.80 H new ATOM 0 HA GLU A 74 2.452 -2.265 -6.046 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.693 -0.828 -8.069 1.00 1.24 H new ATOM 0 HB3 GLU A 74 2.994 0.550 -7.029 1.00 1.24 H new ATOM 0 HG2 GLU A 74 5.033 -0.403 -6.188 1.00 1.49 H new ATOM 0 HG3 GLU A 74 4.670 -1.973 -6.877 1.00 1.49 H new ATOM 1210 N ALA A 75 3.519 -1.498 -3.985 1.00 1.06 N ATOM 1211 CA ALA A 75 4.018 -1.192 -2.676 1.00 1.12 C ATOM 1212 C ALA A 75 5.526 -1.256 -2.679 1.00 1.43 C ATOM 1213 O ALA A 75 6.132 -2.131 -2.085 1.00 1.80 O ATOM 1214 CB ALA A 75 3.453 -2.148 -1.670 1.00 1.02 C ATOM 0 H ALA A 75 3.821 -2.403 -4.345 1.00 1.06 H new ATOM 0 HA ALA A 75 3.709 -0.184 -2.401 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.840 -1.905 -0.680 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.366 -2.070 -1.664 1.00 1.02 H new ATOM 0 HB3 ALA A 75 3.742 -3.166 -1.933 1.00 1.02 H new ATOM 1220 N TYR A 76 6.126 -0.288 -3.306 1.00 1.71 N ATOM 1221 CA TYR A 76 7.573 -0.234 -3.383 1.00 2.10 C ATOM 1222 C TYR A 76 8.140 0.110 -2.036 1.00 2.93 C ATOM 1223 O TYR A 76 8.192 1.270 -1.619 1.00 3.37 O ATOM 1224 CB TYR A 76 8.037 0.803 -4.389 1.00 2.06 C ATOM 1225 CG TYR A 76 9.525 0.744 -4.681 1.00 2.42 C ATOM 1226 CD1 TYR A 76 10.025 0.757 -5.991 1.00 3.02 C ATOM 1227 CD2 TYR A 76 10.434 0.683 -3.637 1.00 2.63 C ATOM 1228 CE1 TYR A 76 11.382 0.712 -6.227 1.00 3.55 C ATOM 1229 CE2 TYR A 76 11.789 0.636 -3.871 1.00 3.23 C ATOM 1230 CZ TYR A 76 12.239 0.616 -5.266 1.00 3.62 C ATOM 1231 OH TYR A 76 13.617 0.604 -5.392 1.00 4.28 O ATOM 0 H TYR A 76 5.644 0.479 -3.775 1.00 1.71 H new ATOM 0 HA TYR A 76 7.925 -1.214 -3.705 1.00 2.10 H new ATOM 0 HB2 TYR A 76 7.487 0.665 -5.320 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.788 1.796 -4.015 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.339 0.803 -6.824 1.00 3.02 H new ATOM 0 HD2 TYR A 76 10.072 0.672 -2.620 1.00 2.63 H new ATOM 0 HE1 TYR A 76 11.739 0.758 -7.245 1.00 3.55 H new ATOM 0 HE2 TYR A 76 12.496 0.615 -3.055 1.00 3.23 H new ATOM 0 HH TYR A 76 13.878 1.129 -6.177 1.00 4.28 H new ATOM 1241 N ARG A 77 8.539 -0.947 -1.377 1.00 3.45 N ATOM 1242 CA ARG A 77 9.225 -0.907 -0.123 1.00 4.39 C ATOM 1243 C ARG A 77 10.109 -2.146 -0.079 1.00 4.69 C ATOM 1244 O ARG A 77 9.618 -3.248 -0.256 1.00 4.62 O ATOM 1245 CB ARG A 77 8.220 -0.891 1.040 1.00 5.09 C ATOM 1246 CG ARG A 77 7.383 0.393 1.136 1.00 5.52 C ATOM 1247 CD ARG A 77 5.967 0.223 0.611 1.00 6.16 C ATOM 1248 NE ARG A 77 5.676 1.077 -0.537 1.00 6.62 N ATOM 1249 CZ ARG A 77 4.445 1.436 -0.900 1.00 7.29 C ATOM 1250 NH1 ARG A 77 3.416 1.195 -0.099 1.00 7.66 N ATOM 1251 NH2 ARG A 77 4.247 2.050 -2.059 1.00 7.82 N ATOM 0 H ARG A 77 8.386 -1.896 -1.719 1.00 3.45 H new ATOM 0 HA ARG A 77 9.826 -0.003 -0.024 1.00 4.39 H new ATOM 0 HB2 ARG A 77 7.547 -1.742 0.935 1.00 5.09 H new ATOM 0 HB3 ARG A 77 8.763 -1.027 1.975 1.00 5.09 H new ATOM 0 HG2 ARG A 77 7.342 0.716 2.176 1.00 5.52 H new ATOM 0 HG3 ARG A 77 7.879 1.186 0.576 1.00 5.52 H new ATOM 0 HD2 ARG A 77 5.813 -0.819 0.330 1.00 6.16 H new ATOM 0 HD3 ARG A 77 5.260 0.446 1.410 1.00 6.16 H new ATOM 0 HE ARG A 77 6.460 1.418 -1.093 1.00 6.62 H new ATOM 0 HH11 ARG A 77 3.565 0.733 0.798 1.00 7.66 H new ATOM 0 HH12 ARG A 77 2.475 1.471 -0.380 1.00 7.66 H new ATOM 0 HH21 ARG A 77 5.037 2.248 -2.673 1.00 7.82 H new ATOM 0 HH22 ARG A 77 3.305 2.324 -2.336 1.00 7.82 H new ATOM 1265 N PRO A 78 11.428 -1.983 0.058 1.00 5.32 N ATOM 1266 CA PRO A 78 12.366 -3.107 0.020 1.00 5.79 C ATOM 1267 C PRO A 78 12.107 -4.152 1.101 1.00 6.24 C ATOM 1268 O PRO A 78 11.556 -3.854 2.163 1.00 6.84 O ATOM 1269 CB PRO A 78 13.735 -2.450 0.228 1.00 6.56 C ATOM 1270 CG PRO A 78 13.451 -1.106 0.791 1.00 6.72 C ATOM 1271 CD PRO A 78 12.117 -0.705 0.244 1.00 5.88 C ATOM 0 HA PRO A 78 12.277 -3.657 -0.917 1.00 5.79 H new ATOM 0 HB2 PRO A 78 14.352 -3.037 0.908 1.00 6.56 H new ATOM 0 HB3 PRO A 78 14.280 -2.374 -0.713 1.00 6.56 H new ATOM 0 HG2 PRO A 78 13.434 -1.135 1.880 1.00 6.72 H new ATOM 0 HG3 PRO A 78 14.222 -0.391 0.503 1.00 6.72 H new ATOM 0 HD2 PRO A 78 11.579 -0.055 0.934 1.00 5.88 H new ATOM 0 HD3 PRO A 78 12.215 -0.161 -0.695 1.00 5.88 H new ATOM 1279 N ASP A 79 12.506 -5.385 0.793 1.00 6.17 N ATOM 1280 CA ASP A 79 12.421 -6.505 1.728 1.00 6.76 C ATOM 1281 C ASP A 79 13.166 -6.186 3.025 1.00 6.75 C ATOM 1282 O ASP A 79 14.005 -5.293 3.043 1.00 6.33 O ATOM 1283 CB ASP A 79 12.980 -7.769 1.059 1.00 6.97 C ATOM 1284 CG ASP A 79 13.220 -8.920 2.022 1.00 7.82 C ATOM 1285 OD1 ASP A 79 14.308 -8.985 2.622 1.00 8.31 O ATOM 1286 OD2 ASP A 79 12.317 -9.768 2.181 1.00 8.19 O ATOM 0 H ASP A 79 12.898 -5.636 -0.115 1.00 6.17 H new ATOM 0 HA ASP A 79 11.377 -6.679 1.989 1.00 6.76 H new ATOM 0 HB2 ASP A 79 12.286 -8.095 0.284 1.00 6.97 H new ATOM 0 HB3 ASP A 79 13.919 -7.521 0.563 1.00 6.97 H new ATOM 1291 N LEU A 80 12.867 -6.953 4.078 1.00 7.42 N ATOM 1292 CA LEU A 80 13.360 -6.714 5.444 1.00 7.70 C ATOM 1293 C LEU A 80 14.778 -6.168 5.498 1.00 7.67 C ATOM 1294 O LEU A 80 15.047 -5.175 6.164 1.00 7.65 O ATOM 1295 CB LEU A 80 13.246 -8.015 6.256 1.00 8.65 C ATOM 1296 CG LEU A 80 13.414 -7.901 7.783 1.00 9.25 C ATOM 1297 CD1 LEU A 80 12.843 -9.136 8.462 1.00 9.43 C ATOM 1298 CD2 LEU A 80 14.876 -7.739 8.175 1.00 9.75 C ATOM 0 H LEU A 80 12.265 -7.773 4.007 1.00 7.42 H new ATOM 0 HA LEU A 80 12.733 -5.937 5.881 1.00 7.70 H new ATOM 0 HB2 LEU A 80 12.270 -8.456 6.054 1.00 8.65 H new ATOM 0 HB3 LEU A 80 13.995 -8.714 5.884 1.00 8.65 H new ATOM 0 HG LEU A 80 12.872 -7.013 8.110 1.00 9.25 H new ATOM 0 HD11 LEU A 80 12.966 -9.047 9.541 1.00 9.43 H new ATOM 0 HD12 LEU A 80 11.783 -9.225 8.224 1.00 9.43 H new ATOM 0 HD13 LEU A 80 13.370 -10.022 8.108 1.00 9.43 H new ATOM 0 HD21 LEU A 80 14.956 -7.662 9.259 1.00 9.75 H new ATOM 0 HD22 LEU A 80 15.443 -8.604 7.830 1.00 9.75 H new ATOM 0 HD23 LEU A 80 15.278 -6.835 7.716 1.00 9.75 H new ATOM 1310 N LYS A 81 15.651 -6.816 4.781 1.00 7.90 N ATOM 1311 CA LYS A 81 17.090 -6.537 4.854 1.00 8.21 C ATOM 1312 C LYS A 81 17.542 -5.479 3.837 1.00 7.50 C ATOM 1313 O LYS A 81 18.718 -5.143 3.773 1.00 7.67 O ATOM 1314 CB LYS A 81 17.908 -7.818 4.622 1.00 9.15 C ATOM 1315 CG LYS A 81 17.629 -8.937 5.618 1.00 9.83 C ATOM 1316 CD LYS A 81 16.400 -9.751 5.236 1.00 10.54 C ATOM 1317 CE LYS A 81 16.666 -10.656 4.043 1.00 11.27 C ATOM 1318 NZ LYS A 81 15.425 -11.332 3.580 1.00 11.75 N ATOM 0 H LYS A 81 15.404 -7.556 4.124 1.00 7.90 H new ATOM 0 HA LYS A 81 17.269 -6.149 5.857 1.00 8.21 H new ATOM 0 HB2 LYS A 81 17.705 -8.186 3.616 1.00 9.15 H new ATOM 0 HB3 LYS A 81 18.968 -7.569 4.663 1.00 9.15 H new ATOM 0 HG2 LYS A 81 18.496 -9.595 5.675 1.00 9.83 H new ATOM 0 HG3 LYS A 81 17.487 -8.511 6.611 1.00 9.83 H new ATOM 0 HD2 LYS A 81 16.086 -10.355 6.087 1.00 10.54 H new ATOM 0 HD3 LYS A 81 15.576 -9.076 5.003 1.00 10.54 H new ATOM 0 HE2 LYS A 81 17.087 -10.069 3.227 1.00 11.27 H new ATOM 0 HE3 LYS A 81 17.410 -11.405 4.313 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 15.668 -12.064 2.882 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 14.946 -11.773 4.391 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 14.791 -10.633 3.142 1.00 11.75 H new ATOM 1332 N HIS A 82 16.621 -4.982 3.032 1.00 6.91 N ATOM 1333 CA HIS A 82 16.978 -4.189 1.857 1.00 6.47 C ATOM 1334 C HIS A 82 16.705 -2.674 2.041 1.00 5.53 C ATOM 1335 O HIS A 82 15.811 -2.288 2.790 1.00 5.01 O ATOM 1336 CB HIS A 82 16.275 -4.812 0.655 1.00 6.67 C ATOM 1337 CG HIS A 82 16.670 -6.258 0.492 1.00 7.18 C ATOM 1338 ND1 HIS A 82 15.983 -7.296 1.076 1.00 7.40 N ATOM 1339 CD2 HIS A 82 17.724 -6.830 -0.140 1.00 7.76 C ATOM 1340 CE1 HIS A 82 16.596 -8.435 0.809 1.00 8.08 C ATOM 1341 NE2 HIS A 82 17.654 -8.179 0.073 1.00 8.33 N ATOM 0 H HIS A 82 15.618 -5.110 3.166 1.00 6.91 H new ATOM 0 HA HIS A 82 18.055 -4.221 1.693 1.00 6.47 H new ATOM 0 HB2 HIS A 82 15.195 -4.738 0.781 1.00 6.67 H new ATOM 0 HB3 HIS A 82 16.529 -4.257 -0.248 1.00 6.67 H new ATOM 0 HD2 HIS A 82 18.483 -6.313 -0.709 1.00 7.76 H new ATOM 0 HE1 HIS A 82 16.280 -9.413 1.140 1.00 8.08 H new ATOM 0 HE2 HIS A 82 18.314 -8.872 -0.281 1.00 8.33 H new ATOM 1350 N PRO A 83 17.491 -1.803 1.342 1.00 5.57 N ATOM 1351 CA PRO A 83 17.596 -0.363 1.623 1.00 4.95 C ATOM 1352 C PRO A 83 16.692 0.565 0.816 1.00 4.13 C ATOM 1353 O PRO A 83 16.291 0.259 -0.307 1.00 4.33 O ATOM 1354 CB PRO A 83 19.031 -0.075 1.217 1.00 5.64 C ATOM 1355 CG PRO A 83 19.267 -0.969 0.051 1.00 6.46 C ATOM 1356 CD PRO A 83 18.311 -2.136 0.178 1.00 6.50 C ATOM 0 HA PRO A 83 17.302 -0.173 2.655 1.00 4.95 H new ATOM 0 HB2 PRO A 83 19.166 0.973 0.949 1.00 5.64 H new ATOM 0 HB3 PRO A 83 19.725 -0.289 2.030 1.00 5.64 H new ATOM 0 HG2 PRO A 83 19.098 -0.434 -0.884 1.00 6.46 H new ATOM 0 HG3 PRO A 83 20.300 -1.318 0.037 1.00 6.46 H new ATOM 0 HD2 PRO A 83 17.702 -2.251 -0.719 1.00 6.50 H new ATOM 0 HD3 PRO A 83 18.846 -3.075 0.323 1.00 6.50 H new ATOM 1364 N LEU A 84 16.428 1.703 1.450 1.00 3.60 N ATOM 1365 CA LEU A 84 15.925 2.956 0.868 1.00 3.05 C ATOM 1366 C LEU A 84 15.495 3.783 2.032 1.00 2.76 C ATOM 1367 O LEU A 84 15.437 3.260 3.118 1.00 3.30 O ATOM 1368 CB LEU A 84 14.742 2.815 -0.094 1.00 3.01 C ATOM 1369 CG LEU A 84 15.074 2.428 -1.539 1.00 4.01 C ATOM 1370 CD1 LEU A 84 13.883 2.696 -2.440 1.00 4.57 C ATOM 1371 CD2 LEU A 84 16.298 3.176 -2.038 1.00 4.67 C ATOM 0 H LEU A 84 16.568 1.786 2.457 1.00 3.60 H new ATOM 0 HA LEU A 84 16.721 3.388 0.261 1.00 3.05 H new ATOM 0 HB2 LEU A 84 14.061 2.066 0.311 1.00 3.01 H new ATOM 0 HB3 LEU A 84 14.202 3.762 -0.111 1.00 3.01 H new ATOM 0 HG LEU A 84 15.300 1.362 -1.563 1.00 4.01 H new ATOM 0 HD11 LEU A 84 14.131 2.417 -3.464 1.00 4.57 H new ATOM 0 HD12 LEU A 84 13.030 2.108 -2.100 1.00 4.57 H new ATOM 0 HD13 LEU A 84 13.631 3.756 -2.404 1.00 4.57 H new ATOM 0 HD21 LEU A 84 16.510 2.882 -3.066 1.00 4.67 H new ATOM 0 HD22 LEU A 84 16.110 4.249 -1.999 1.00 4.67 H new ATOM 0 HD23 LEU A 84 17.154 2.935 -1.407 1.00 4.67 H new ATOM 1383 N CYS A 85 15.183 5.042 1.842 1.00 2.66 N ATOM 1384 CA CYS A 85 14.843 5.870 2.995 1.00 3.24 C ATOM 1385 C CYS A 85 14.175 7.160 2.600 1.00 3.77 C ATOM 1386 O CYS A 85 13.536 7.837 3.405 1.00 4.31 O ATOM 1387 CB CYS A 85 16.095 6.108 3.835 1.00 3.79 C ATOM 1388 SG CYS A 85 17.163 7.474 3.319 1.00 4.64 S ATOM 0 H CYS A 85 15.155 5.512 0.937 1.00 2.66 H new ATOM 0 HA CYS A 85 14.110 5.334 3.599 1.00 3.24 H new ATOM 0 HB2 CYS A 85 15.786 6.286 4.865 1.00 3.79 H new ATOM 0 HB3 CYS A 85 16.687 5.193 3.833 1.00 3.79 H new ATOM 1393 N GLY A 86 14.313 7.464 1.352 1.00 4.00 N ATOM 1394 CA GLY A 86 13.633 8.601 0.775 1.00 4.75 C ATOM 1395 C GLY A 86 12.287 8.216 0.202 1.00 4.42 C ATOM 1396 O GLY A 86 11.597 9.040 -0.393 1.00 5.13 O ATOM 0 H GLY A 86 14.895 6.941 0.697 1.00 4.00 H new ATOM 0 HA2 GLY A 86 13.498 9.369 1.536 1.00 4.75 H new ATOM 0 HA3 GLY A 86 14.252 9.035 -0.010 1.00 4.75 H new ATOM 1400 N LYS A 87 11.913 6.954 0.386 1.00 3.51 N ATOM 1401 CA LYS A 87 10.667 6.436 -0.162 1.00 3.25 C ATOM 1402 C LYS A 87 9.731 5.944 0.936 1.00 2.57 C ATOM 1403 O LYS A 87 10.086 5.076 1.733 1.00 2.57 O ATOM 1404 CB LYS A 87 10.928 5.290 -1.142 1.00 3.54 C ATOM 1405 CG LYS A 87 11.254 5.727 -2.569 1.00 4.49 C ATOM 1406 CD LYS A 87 12.533 6.546 -2.659 1.00 5.19 C ATOM 1407 CE LYS A 87 12.821 6.970 -4.093 1.00 6.18 C ATOM 1408 NZ LYS A 87 13.994 7.877 -4.184 1.00 6.95 N ATOM 0 H LYS A 87 12.457 6.270 0.912 1.00 3.51 H new ATOM 0 HA LYS A 87 10.191 7.263 -0.689 1.00 3.25 H new ATOM 0 HB2 LYS A 87 11.755 4.689 -0.764 1.00 3.54 H new ATOM 0 HB3 LYS A 87 10.050 4.645 -1.167 1.00 3.54 H new ATOM 0 HG2 LYS A 87 11.348 4.844 -3.201 1.00 4.49 H new ATOM 0 HG3 LYS A 87 10.424 6.314 -2.963 1.00 4.49 H new ATOM 0 HD2 LYS A 87 12.446 7.430 -2.027 1.00 5.19 H new ATOM 0 HD3 LYS A 87 13.369 5.961 -2.276 1.00 5.19 H new ATOM 0 HE2 LYS A 87 13.000 6.085 -4.703 1.00 6.18 H new ATOM 0 HE3 LYS A 87 11.944 7.470 -4.506 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 14.153 8.140 -5.178 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 13.814 8.734 -3.623 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 14.837 7.392 -3.815 1.00 6.95 H new ATOM 1422 N ARG A 88 8.545 6.524 0.966 1.00 2.48 N ATOM 1423 CA ARG A 88 7.478 6.101 1.866 1.00 2.17 C ATOM 1424 C ARG A 88 6.139 6.431 1.223 1.00 1.70 C ATOM 1425 O ARG A 88 5.772 7.599 1.118 1.00 2.18 O ATOM 1426 CB ARG A 88 7.594 6.800 3.220 1.00 3.14 C ATOM 1427 CG ARG A 88 6.585 6.314 4.251 1.00 3.80 C ATOM 1428 CD ARG A 88 6.642 7.152 5.518 1.00 4.78 C ATOM 1429 NE ARG A 88 5.699 6.691 6.539 1.00 5.43 N ATOM 1430 CZ ARG A 88 4.800 7.473 7.139 1.00 6.34 C ATOM 1431 NH1 ARG A 88 4.700 8.760 6.821 1.00 6.69 N ATOM 1432 NH2 ARG A 88 4.002 6.962 8.068 1.00 7.15 N ATOM 0 H ARG A 88 8.290 7.307 0.364 1.00 2.48 H new ATOM 0 HA ARG A 88 7.559 5.028 2.037 1.00 2.17 H new ATOM 0 HB2 ARG A 88 8.600 6.649 3.611 1.00 3.14 H new ATOM 0 HB3 ARG A 88 7.465 7.873 3.077 1.00 3.14 H new ATOM 0 HG2 ARG A 88 5.581 6.357 3.829 1.00 3.80 H new ATOM 0 HG3 ARG A 88 6.784 5.270 4.494 1.00 3.80 H new ATOM 0 HD2 ARG A 88 7.654 7.124 5.923 1.00 4.78 H new ATOM 0 HD3 ARG A 88 6.426 8.192 5.272 1.00 4.78 H new ATOM 0 HE ARG A 88 5.732 5.708 6.809 1.00 5.43 H new ATOM 0 HH11 ARG A 88 5.314 9.159 6.111 1.00 6.69 H new ATOM 0 HH12 ARG A 88 4.009 9.348 7.287 1.00 6.69 H new ATOM 0 HH21 ARG A 88 4.078 5.976 8.320 1.00 7.15 H new ATOM 0 HH22 ARG A 88 3.313 7.555 8.530 1.00 7.15 H new ATOM 1446 N TYR A 89 5.413 5.417 0.788 1.00 1.34 N ATOM 1447 CA TYR A 89 4.198 5.649 0.019 1.00 1.31 C ATOM 1448 C TYR A 89 2.968 5.155 0.761 1.00 1.05 C ATOM 1449 O TYR A 89 2.969 4.059 1.334 1.00 1.43 O ATOM 1450 CB TYR A 89 4.256 4.950 -1.341 1.00 2.13 C ATOM 1451 CG TYR A 89 5.435 5.321 -2.215 1.00 2.67 C ATOM 1452 CD1 TYR A 89 5.345 6.357 -3.135 1.00 3.40 C ATOM 1453 CD2 TYR A 89 6.628 4.613 -2.140 1.00 2.94 C ATOM 1454 CE1 TYR A 89 6.410 6.678 -3.954 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.698 4.931 -2.951 1.00 3.68 C ATOM 1456 CZ TYR A 89 7.585 5.963 -3.857 1.00 4.27 C ATOM 1457 OH TYR A 89 8.648 6.277 -4.672 1.00 5.18 O ATOM 0 H TYR A 89 5.637 4.435 0.950 1.00 1.34 H new ATOM 0 HA TYR A 89 4.127 6.727 -0.127 1.00 1.31 H new ATOM 0 HB2 TYR A 89 4.273 3.873 -1.176 1.00 2.13 H new ATOM 0 HB3 TYR A 89 3.338 5.174 -1.885 1.00 2.13 H new ATOM 0 HD1 TYR A 89 4.427 6.921 -3.212 1.00 3.40 H new ATOM 0 HD2 TYR A 89 6.719 3.800 -1.435 1.00 2.94 H new ATOM 0 HE1 TYR A 89 6.323 7.485 -4.667 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.620 4.374 -2.876 1.00 3.68 H new ATOM 0 HH TYR A 89 8.920 7.205 -4.512 1.00 5.18 H new ATOM 1467 N GLU A 90 1.925 5.967 0.739 1.00 0.79 N ATOM 1468 CA GLU A 90 0.630 5.575 1.255 1.00 0.71 C ATOM 1469 C GLU A 90 -0.285 5.179 0.116 1.00 0.53 C ATOM 1470 O GLU A 90 -0.391 5.891 -0.884 1.00 0.63 O ATOM 1471 CB GLU A 90 -0.007 6.724 2.038 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.464 6.477 2.397 1.00 1.28 C ATOM 1473 CD GLU A 90 -2.194 7.741 2.804 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -3.101 8.164 2.059 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.870 8.312 3.867 1.00 2.07 O ATOM 0 H GLU A 90 1.955 6.915 0.363 1.00 0.79 H new ATOM 0 HA GLU A 90 0.772 4.725 1.922 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.562 6.889 2.953 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.064 7.638 1.449 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.972 6.029 1.543 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.515 5.756 3.213 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.917 4.031 0.260 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.969 3.635 -0.648 1.00 0.43 C ATOM 1484 C LEU A 91 -3.256 3.607 0.131 1.00 0.43 C ATOM 1485 O LEU A 91 -3.452 2.759 1.001 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.724 2.266 -1.278 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.298 1.704 -1.132 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.225 0.275 -1.640 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.698 2.562 -1.895 1.00 1.02 C ATOM 0 H LEU A 91 -0.718 3.357 0.999 1.00 0.50 H new ATOM 0 HA LEU A 91 -2.006 4.352 -1.468 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.421 1.554 -0.836 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -1.962 2.328 -2.340 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.044 1.717 -0.072 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.792 -0.100 -1.526 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -0.909 -0.351 -1.066 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.506 0.248 -2.693 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.699 2.148 -1.779 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.432 2.576 -2.952 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.678 3.579 -1.502 1.00 1.02 H new ATOM 1501 N SER A 92 -4.118 4.543 -0.152 1.00 0.43 N ATOM 1502 CA SER A 92 -5.293 4.719 0.655 1.00 0.48 C ATOM 1503 C SER A 92 -6.550 4.499 -0.137 1.00 0.43 C ATOM 1504 O SER A 92 -6.719 5.024 -1.235 1.00 0.51 O ATOM 1505 CB SER A 92 -5.279 6.110 1.279 1.00 0.59 C ATOM 1506 OG SER A 92 -4.871 7.094 0.343 1.00 1.23 O ATOM 0 H SER A 92 -4.030 5.194 -0.932 1.00 0.43 H new ATOM 0 HA SER A 92 -5.282 3.970 1.447 1.00 0.48 H new ATOM 0 HB2 SER A 92 -6.274 6.352 1.653 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.605 6.119 2.136 1.00 0.59 H new ATOM 0 HG SER A 92 -4.116 7.600 0.709 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.433 3.720 0.438 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.705 3.469 -0.157 1.00 0.54 C ATOM 1514 C ALA A 93 -9.634 4.554 0.256 1.00 0.62 C ATOM 1515 O ALA A 93 -10.203 4.545 1.334 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.210 2.131 0.251 1.00 0.66 C ATOM 0 H ALA A 93 -7.283 3.247 1.329 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.623 3.462 -1.244 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.181 1.953 -0.210 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.508 1.363 -0.073 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.311 2.096 1.336 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.741 5.507 -0.602 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.440 6.728 -0.272 1.00 1.26 C ATOM 1524 C ARG A 94 -11.669 6.897 -1.083 1.00 0.70 C ATOM 1525 O ARG A 94 -11.877 6.247 -2.104 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.548 7.962 -0.449 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.251 7.924 0.339 1.00 3.37 C ATOM 1528 CD ARG A 94 -7.625 9.308 0.436 1.00 4.38 C ATOM 1529 NE ARG A 94 -6.344 9.285 1.141 1.00 5.11 N ATOM 1530 CZ ARG A 94 -5.919 10.245 1.966 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -6.676 11.311 2.211 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -4.733 10.140 2.548 1.00 6.80 N ATOM 0 H ARG A 94 -9.356 5.477 -1.546 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.719 6.641 0.778 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -9.312 8.074 -1.507 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -10.112 8.847 -0.153 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -8.442 7.537 1.340 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -7.552 7.238 -0.140 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -7.479 9.710 -0.566 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -8.310 9.980 0.953 1.00 4.38 H new ATOM 0 HE ARG A 94 -5.734 8.481 0.992 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -7.590 11.400 1.767 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -6.342 12.039 2.843 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -4.146 9.326 2.366 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -4.408 10.873 3.178 1.00 6.80 H new ATOM 1546 N MET A 95 -12.476 7.760 -0.520 1.00 0.84 N ATOM 1547 CA MET A 95 -13.739 8.207 -1.052 1.00 1.41 C ATOM 1548 C MET A 95 -13.861 7.990 -2.565 1.00 1.48 C ATOM 1549 O MET A 95 -14.797 7.346 -3.038 1.00 2.12 O ATOM 1550 CB MET A 95 -13.886 9.697 -0.734 1.00 2.09 C ATOM 1551 CG MET A 95 -13.217 10.121 0.577 1.00 2.32 C ATOM 1552 SD MET A 95 -13.274 11.904 0.849 1.00 3.26 S ATOM 1553 CE MET A 95 -12.335 12.501 -0.557 1.00 3.27 C ATOM 0 H MET A 95 -12.256 8.196 0.376 1.00 0.84 H new ATOM 0 HA MET A 95 -14.530 7.618 -0.589 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.459 10.277 -1.552 1.00 2.09 H new ATOM 0 HB3 MET A 95 -14.946 9.945 -0.686 1.00 2.09 H new ATOM 0 HG2 MET A 95 -13.707 9.616 1.409 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.178 9.792 0.572 1.00 2.32 H new ATOM 0 HE1 MET A 95 -11.965 13.505 -0.348 1.00 3.27 H new ATOM 0 HE2 MET A 95 -11.492 11.835 -0.741 1.00 3.27 H new ATOM 0 HE3 MET A 95 -12.976 12.527 -1.438 1.00 3.27 H new ATOM 1563 N ASP A 96 -12.904 8.531 -3.311 1.00 1.26 N ATOM 1564 CA ASP A 96 -12.894 8.418 -4.765 1.00 1.45 C ATOM 1565 C ASP A 96 -12.273 7.099 -5.222 1.00 1.30 C ATOM 1566 O ASP A 96 -12.943 6.256 -5.821 1.00 1.97 O ATOM 1567 CB ASP A 96 -12.108 9.580 -5.381 1.00 1.76 C ATOM 1568 CG ASP A 96 -12.695 10.929 -5.034 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -13.441 11.488 -5.863 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -12.422 11.435 -3.926 1.00 2.86 O ATOM 0 H ASP A 96 -12.118 9.057 -2.928 1.00 1.26 H new ATOM 0 HA ASP A 96 -13.930 8.449 -5.101 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -11.075 9.538 -5.036 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -12.087 9.465 -6.465 1.00 1.76 H new ATOM 1575 N ALA A 97 -10.992 6.923 -4.922 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.224 5.793 -5.427 1.00 0.62 C ATOM 1577 C ALA A 97 -9.138 5.399 -4.440 1.00 0.60 C ATOM 1578 O ALA A 97 -9.102 5.880 -3.309 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.586 6.162 -6.763 1.00 0.55 C ATOM 0 H ALA A 97 -10.459 7.556 -4.325 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.899 4.948 -5.561 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -9.012 5.315 -7.138 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.366 6.418 -7.480 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.924 7.017 -6.626 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.260 4.520 -4.888 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.060 4.179 -4.154 1.00 0.34 C ATOM 1587 C ILE A 98 -5.983 5.188 -4.494 1.00 0.32 C ATOM 1588 O ILE A 98 -5.552 5.305 -5.644 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.582 2.748 -4.475 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.589 1.757 -3.914 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.185 2.483 -3.873 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.382 1.485 -2.467 1.00 0.50 C ATOM 0 H ILE A 98 -8.361 4.023 -5.773 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.278 4.208 -3.086 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.506 2.632 -5.556 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.597 2.144 -4.066 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.520 0.821 -4.469 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -4.872 1.467 -4.114 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.469 3.192 -4.289 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.227 2.603 -2.790 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.129 0.771 -2.120 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.386 1.071 -2.314 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.479 2.414 -1.905 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.589 5.938 -3.493 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.641 7.019 -3.670 1.00 0.53 C ATOM 1606 C TYR A 99 -3.221 6.508 -3.468 1.00 0.63 C ATOM 1607 O TYR A 99 -2.962 5.746 -2.542 1.00 0.86 O ATOM 1608 CB TYR A 99 -4.950 8.151 -2.687 1.00 0.79 C ATOM 1609 CG TYR A 99 -6.178 8.978 -3.025 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -7.396 8.384 -3.324 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -6.113 10.363 -3.030 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -8.510 9.150 -3.621 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -7.218 11.134 -3.325 1.00 2.26 C ATOM 1614 CZ TYR A 99 -8.415 10.523 -3.620 1.00 2.77 C ATOM 1615 OH TYR A 99 -9.516 11.292 -3.922 1.00 3.67 O ATOM 0 H TYR A 99 -5.914 5.819 -2.533 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.727 7.406 -4.685 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -5.081 7.723 -1.693 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -4.086 8.814 -2.637 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.476 7.307 -3.325 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -5.177 10.849 -2.798 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.450 8.672 -3.853 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -7.144 12.211 -3.324 1.00 2.26 H new ATOM 0 HH TYR A 99 -9.275 12.241 -3.874 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.311 6.925 -4.341 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.935 6.444 -4.303 1.00 0.91 C ATOM 1627 C PHE A 100 0.063 7.593 -4.492 1.00 1.25 C ATOM 1628 O PHE A 100 0.343 8.005 -5.619 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.727 5.386 -5.392 1.00 1.20 C ATOM 1630 CG PHE A 100 0.715 5.022 -5.626 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.304 5.222 -6.862 1.00 2.22 C ATOM 1632 CD2 PHE A 100 1.477 4.471 -4.607 1.00 2.19 C ATOM 1633 CE1 PHE A 100 2.623 4.882 -7.077 1.00 2.83 C ATOM 1634 CE2 PHE A 100 2.797 4.130 -4.817 1.00 2.91 C ATOM 1635 CZ PHE A 100 3.378 4.366 -6.061 1.00 3.12 C ATOM 0 H PHE A 100 -2.502 7.596 -5.085 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.756 6.001 -3.323 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.278 4.486 -5.120 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -1.155 5.752 -6.326 1.00 1.20 H new ATOM 0 HD1 PHE A 100 0.724 5.649 -7.667 1.00 2.22 H new ATOM 0 HD2 PHE A 100 1.032 4.307 -3.637 1.00 2.19 H new ATOM 0 HE1 PHE A 100 3.062 5.024 -8.053 1.00 2.83 H new ATOM 0 HE2 PHE A 100 3.376 3.683 -4.022 1.00 2.91 H new ATOM 0 HZ PHE A 100 4.422 4.142 -6.222 1.00 3.12 H new ATOM 1645 N LYS A 101 0.567 8.133 -3.389 1.00 1.07 N ATOM 1646 CA LYS A 101 1.611 9.161 -3.431 1.00 1.43 C ATOM 1647 C LYS A 101 2.456 9.134 -2.171 1.00 1.37 C ATOM 1648 O LYS A 101 1.994 8.707 -1.113 1.00 1.55 O ATOM 1649 CB LYS A 101 1.027 10.563 -3.593 1.00 2.06 C ATOM 1650 CG LYS A 101 0.809 10.998 -5.034 1.00 2.92 C ATOM 1651 CD LYS A 101 0.496 12.485 -5.126 1.00 3.76 C ATOM 1652 CE LYS A 101 1.686 13.344 -4.722 1.00 4.58 C ATOM 1653 NZ LYS A 101 2.846 13.156 -5.633 1.00 5.15 N ATOM 0 H LYS A 101 0.270 7.877 -2.447 1.00 1.07 H new ATOM 0 HA LYS A 101 2.230 8.932 -4.298 1.00 1.43 H new ATOM 0 HB2 LYS A 101 0.074 10.608 -3.066 1.00 2.06 H new ATOM 0 HB3 LYS A 101 1.693 11.277 -3.109 1.00 2.06 H new ATOM 0 HG2 LYS A 101 1.700 10.776 -5.621 1.00 2.92 H new ATOM 0 HG3 LYS A 101 -0.010 10.425 -5.468 1.00 2.92 H new ATOM 0 HD2 LYS A 101 0.201 12.731 -6.146 1.00 3.76 H new ATOM 0 HD3 LYS A 101 -0.353 12.717 -4.484 1.00 3.76 H new ATOM 0 HE2 LYS A 101 1.392 14.394 -4.722 1.00 4.58 H new ATOM 0 HE3 LYS A 101 1.982 13.096 -3.703 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 3.538 13.916 -5.475 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 3.292 12.236 -5.442 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 2.520 13.185 -6.620 1.00 5.15 H new ATOM 1667 N MET A 102 3.700 9.577 -2.286 1.00 1.76 N ATOM 1668 CA MET A 102 4.525 9.792 -1.108 1.00 2.21 C ATOM 1669 C MET A 102 4.434 11.255 -0.679 1.00 2.42 C ATOM 1670 O MET A 102 5.269 12.084 -1.038 1.00 2.62 O ATOM 1671 CB MET A 102 5.983 9.402 -1.390 1.00 2.82 C ATOM 1672 CG MET A 102 6.554 9.998 -2.670 1.00 3.61 C ATOM 1673 SD MET A 102 8.300 9.608 -2.902 1.00 4.57 S ATOM 1674 CE MET A 102 9.034 10.537 -1.560 1.00 5.14 C ATOM 0 H MET A 102 4.155 9.792 -3.173 1.00 1.76 H new ATOM 0 HA MET A 102 4.159 9.161 -0.299 1.00 2.21 H new ATOM 0 HB2 MET A 102 6.601 9.717 -0.549 1.00 2.82 H new ATOM 0 HB3 MET A 102 6.052 8.316 -1.446 1.00 2.82 H new ATOM 0 HG2 MET A 102 5.987 9.627 -3.523 1.00 3.61 H new ATOM 0 HG3 MET A 102 6.427 11.080 -2.650 1.00 3.61 H new ATOM 0 HE1 MET A 102 10.093 10.696 -1.764 1.00 5.14 H new ATOM 0 HE2 MET A 102 8.533 11.501 -1.468 1.00 5.14 H new ATOM 0 HE3 MET A 102 8.923 9.981 -0.629 1.00 5.14 H new ATOM 1684 N ASP A 103 3.405 11.566 0.093 1.00 2.92 N ATOM 1685 CA ASP A 103 3.193 12.921 0.584 1.00 3.46 C ATOM 1686 C ASP A 103 3.107 12.898 2.104 1.00 3.62 C ATOM 1687 O ASP A 103 3.425 11.880 2.720 1.00 3.77 O ATOM 1688 CB ASP A 103 1.926 13.517 -0.027 1.00 4.39 C ATOM 1689 CG ASP A 103 1.976 15.031 -0.137 1.00 5.03 C ATOM 1690 OD1 ASP A 103 2.193 15.552 -1.248 1.00 5.64 O ATOM 1691 OD2 ASP A 103 1.805 15.711 0.897 1.00 5.25 O ATOM 0 H ASP A 103 2.699 10.895 0.395 1.00 2.92 H new ATOM 0 HA ASP A 103 4.032 13.550 0.288 1.00 3.46 H new ATOM 0 HB2 ASP A 103 1.772 13.091 -1.018 1.00 4.39 H new ATOM 0 HB3 ASP A 103 1.067 13.230 0.580 1.00 4.39 H new ATOM 1696 N GLU A 104 2.689 13.995 2.716 1.00 4.02 N ATOM 1697 CA GLU A 104 2.485 14.014 4.147 1.00 4.43 C ATOM 1698 C GLU A 104 1.148 13.353 4.489 1.00 4.28 C ATOM 1699 O GLU A 104 1.073 12.503 5.379 1.00 4.73 O ATOM 1700 CB GLU A 104 2.545 15.443 4.681 1.00 4.95 C ATOM 1701 CG GLU A 104 1.471 16.352 4.126 1.00 5.34 C ATOM 1702 CD GLU A 104 1.415 17.689 4.830 1.00 6.03 C ATOM 1703 OE1 GLU A 104 1.986 18.667 4.300 1.00 6.26 O ATOM 1704 OE2 GLU A 104 0.805 17.764 5.918 1.00 6.61 O ATOM 0 H GLU A 104 2.487 14.876 2.244 1.00 4.02 H new ATOM 0 HA GLU A 104 3.284 13.448 4.627 1.00 4.43 H new ATOM 0 HB2 GLU A 104 2.460 15.418 5.767 1.00 4.95 H new ATOM 0 HB3 GLU A 104 3.522 15.867 4.447 1.00 4.95 H new ATOM 0 HG2 GLU A 104 1.651 16.513 3.063 1.00 5.34 H new ATOM 0 HG3 GLU A 104 0.503 15.859 4.214 1.00 5.34 H new ATOM 1711 N ARG A 105 0.098 13.733 3.764 1.00 3.93 N ATOM 1712 CA ARG A 105 -1.209 13.135 3.954 1.00 3.96 C ATOM 1713 C ARG A 105 -2.031 13.035 2.654 1.00 3.41 C ATOM 1714 O ARG A 105 -2.715 12.036 2.468 1.00 3.35 O ATOM 1715 CB ARG A 105 -1.995 13.870 5.048 1.00 4.49 C ATOM 1716 CG ARG A 105 -2.503 15.252 4.670 1.00 4.98 C ATOM 1717 CD ARG A 105 -3.482 15.789 5.702 1.00 5.81 C ATOM 1718 NE ARG A 105 -4.710 14.992 5.768 1.00 6.29 N ATOM 1719 CZ ARG A 105 -5.797 15.355 6.449 1.00 7.10 C ATOM 1720 NH1 ARG A 105 -5.811 16.495 7.130 1.00 7.50 N ATOM 1721 NH2 ARG A 105 -6.872 14.576 6.453 1.00 7.74 N ATOM 0 H ARG A 105 0.133 14.452 3.042 1.00 3.93 H new ATOM 0 HA ARG A 105 -1.030 12.110 4.278 1.00 3.96 H new ATOM 0 HB2 ARG A 105 -2.847 13.254 5.335 1.00 4.49 H new ATOM 0 HB3 ARG A 105 -1.359 13.964 5.928 1.00 4.49 H new ATOM 0 HG2 ARG A 105 -1.660 15.937 4.576 1.00 4.98 H new ATOM 0 HG3 ARG A 105 -2.989 15.208 3.695 1.00 4.98 H new ATOM 0 HD2 ARG A 105 -3.005 15.800 6.682 1.00 5.81 H new ATOM 0 HD3 ARG A 105 -3.734 16.821 5.459 1.00 5.81 H new ATOM 0 HE ARG A 105 -4.734 14.106 5.263 1.00 6.29 H new ATOM 0 HH11 ARG A 105 -4.988 17.097 7.133 1.00 7.50 H new ATOM 0 HH12 ARG A 105 -6.645 16.768 7.650 1.00 7.50 H new ATOM 0 HH21 ARG A 105 -6.867 13.698 5.934 1.00 7.74 H new ATOM 0 HH22 ARG A 105 -7.703 14.856 6.975 1.00 7.74 H new ATOM 1735 N PRO A 106 -2.015 14.032 1.723 1.00 3.33 N ATOM 1736 CA PRO A 106 -2.830 13.946 0.520 1.00 3.10 C ATOM 1737 C PRO A 106 -2.092 13.310 -0.660 1.00 2.43 C ATOM 1738 O PRO A 106 -1.115 13.860 -1.173 1.00 2.29 O ATOM 1739 CB PRO A 106 -3.143 15.411 0.229 1.00 3.53 C ATOM 1740 CG PRO A 106 -1.982 16.183 0.770 1.00 4.00 C ATOM 1741 CD PRO A 106 -1.237 15.283 1.732 1.00 3.83 C ATOM 0 HA PRO A 106 -3.707 13.314 0.662 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -3.263 15.582 -0.841 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -4.074 15.716 0.707 1.00 3.53 H new ATOM 0 HG2 PRO A 106 -1.326 16.504 -0.039 1.00 4.00 H new ATOM 0 HG3 PRO A 106 -2.326 17.084 1.278 1.00 4.00 H new ATOM 0 HD2 PRO A 106 -0.209 15.117 1.409 1.00 3.83 H new ATOM 0 HD3 PRO A 106 -1.191 15.717 2.731 1.00 3.83 H new ATOM 1749 N PRO A 107 -2.555 12.139 -1.105 1.00 2.31 N ATOM 1750 CA PRO A 107 -2.063 11.474 -2.290 1.00 1.85 C ATOM 1751 C PRO A 107 -3.004 11.655 -3.485 1.00 1.51 C ATOM 1752 O PRO A 107 -3.978 12.401 -3.406 1.00 1.80 O ATOM 1753 CB PRO A 107 -2.017 10.010 -1.833 1.00 2.23 C ATOM 1754 CG PRO A 107 -2.942 9.919 -0.644 1.00 2.91 C ATOM 1755 CD PRO A 107 -3.534 11.291 -0.437 1.00 2.93 C ATOM 0 HA PRO A 107 -1.106 11.863 -2.639 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -2.340 9.341 -2.631 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -1.003 9.717 -1.562 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -3.727 9.184 -0.822 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -2.398 9.596 0.244 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -4.525 11.381 -0.882 1.00 2.93 H new ATOM 0 HD3 PRO A 107 -3.636 11.538 0.620 1.00 2.93 H new ATOM 1763 N GLN A 108 -2.703 10.992 -4.596 1.00 1.09 N ATOM 1764 CA GLN A 108 -3.528 11.106 -5.796 1.00 0.94 C ATOM 1765 C GLN A 108 -4.090 9.750 -6.209 1.00 0.70 C ATOM 1766 O GLN A 108 -3.418 8.728 -6.072 1.00 0.64 O ATOM 1767 CB GLN A 108 -2.722 11.697 -6.951 1.00 1.18 C ATOM 1768 CG GLN A 108 -2.428 13.179 -6.796 1.00 1.72 C ATOM 1769 CD GLN A 108 -1.602 13.725 -7.941 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -0.791 13.011 -8.532 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -1.804 14.992 -8.264 1.00 2.71 N ATOM 0 H GLN A 108 -1.898 10.373 -4.692 1.00 1.09 H new ATOM 0 HA GLN A 108 -4.358 11.772 -5.560 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -1.780 11.156 -7.039 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -3.268 11.539 -7.881 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -3.367 13.729 -6.734 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.899 13.346 -5.858 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -2.486 15.547 -7.748 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -1.278 15.413 -9.029 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.340 9.733 -6.708 1.00 0.68 N ATOM 1781 CA PRO A 109 -6.002 8.511 -7.193 1.00 0.55 C ATOM 1782 C PRO A 109 -5.200 7.806 -8.281 1.00 0.56 C ATOM 1783 O PRO A 109 -4.901 8.396 -9.322 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.316 9.029 -7.777 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.570 10.311 -7.070 1.00 0.82 C ATOM 1786 CD PRO A 109 -6.218 10.914 -6.835 1.00 0.91 C ATOM 0 HA PRO A 109 -6.123 7.777 -6.397 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.237 9.180 -8.854 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -8.128 8.320 -7.613 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -8.196 10.972 -7.669 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -8.094 10.143 -6.129 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.914 11.555 -7.662 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -6.201 11.527 -5.934 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.854 6.548 -8.046 1.00 0.49 N ATOM 1795 CA LEU A 110 -4.074 5.794 -9.014 1.00 0.61 C ATOM 1796 C LEU A 110 -4.730 4.446 -9.307 1.00 0.51 C ATOM 1797 O LEU A 110 -4.465 3.818 -10.332 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.640 5.627 -8.485 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.548 5.306 -9.522 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -1.497 3.819 -9.829 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -1.764 6.105 -10.799 1.00 1.61 C ATOM 0 H LEU A 110 -5.099 6.033 -7.201 1.00 0.49 H new ATOM 0 HA LEU A 110 -4.036 6.339 -9.957 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.359 6.546 -7.970 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.644 4.832 -7.739 1.00 0.83 H new ATOM 0 HG LEU A 110 -0.589 5.594 -9.091 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -0.716 3.626 -10.564 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -1.280 3.266 -8.915 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -2.459 3.497 -10.228 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -0.981 5.862 -11.517 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -2.736 5.856 -11.224 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -1.730 7.170 -10.572 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.648 4.048 -8.445 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.298 2.746 -8.542 1.00 0.48 C ATOM 1815 C ASN A 111 -7.625 2.879 -7.855 1.00 0.42 C ATOM 1816 O ASN A 111 -7.954 3.968 -7.425 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.469 1.634 -7.878 1.00 0.60 C ATOM 1818 CG ASN A 111 -4.470 0.984 -8.820 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -3.307 1.382 -8.893 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -4.921 -0.022 -9.554 1.00 1.75 N ATOM 0 H ASN A 111 -5.966 4.614 -7.658 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.408 2.463 -9.589 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.935 2.050 -7.024 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -6.143 0.870 -7.491 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -4.298 -0.496 -10.208 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -5.892 -0.323 -9.465 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.401 1.825 -7.743 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.638 1.933 -7.025 1.00 0.60 C ATOM 1829 C LYS A 112 -9.947 0.703 -6.205 1.00 0.72 C ATOM 1830 O LYS A 112 -9.878 -0.425 -6.681 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.765 2.236 -7.984 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.895 1.251 -9.134 1.00 1.33 C ATOM 1833 CD LYS A 112 -11.966 1.684 -10.121 1.00 1.68 C ATOM 1834 CE LYS A 112 -11.611 3.005 -10.786 1.00 2.31 C ATOM 1835 NZ LYS A 112 -12.621 3.415 -11.795 1.00 2.93 N ATOM 0 H LYS A 112 -8.199 0.904 -8.133 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.533 2.756 -6.318 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.703 2.253 -7.429 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.618 3.236 -8.393 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -9.938 1.163 -9.649 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -11.138 0.263 -8.742 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -12.093 0.915 -10.883 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -12.921 1.781 -9.604 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -11.524 3.781 -10.025 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -10.636 2.918 -11.265 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -12.338 4.320 -12.222 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -12.686 2.688 -12.536 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -13.547 3.524 -11.335 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.304 0.972 -4.968 1.00 0.77 N ATOM 1850 CA TRP A 113 -10.581 -0.045 -3.963 1.00 0.97 C ATOM 1851 C TRP A 113 -11.664 -1.013 -4.428 1.00 1.02 C ATOM 1852 O TRP A 113 -12.836 -0.688 -4.384 1.00 1.12 O ATOM 1853 CB TRP A 113 -10.986 0.651 -2.649 1.00 1.07 C ATOM 1854 CG TRP A 113 -11.976 1.772 -2.848 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.681 3.060 -3.198 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.407 1.713 -2.721 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.832 3.794 -3.318 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.904 2.993 -3.029 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.316 0.704 -2.387 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -15.264 3.289 -3.014 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.666 0.999 -2.370 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.129 2.281 -2.684 1.00 2.20 C ATOM 0 H TRP A 113 -10.414 1.924 -4.620 1.00 0.77 H new ATOM 0 HA TRP A 113 -9.681 -0.638 -3.799 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -11.415 -0.088 -1.972 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.093 1.046 -2.165 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.684 3.444 -3.357 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.882 4.778 -3.580 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -13.969 -0.290 -2.146 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -15.624 4.279 -3.254 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.375 0.227 -2.110 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -17.190 2.479 -2.666 1.00 2.20 H new ATOM 1873 N ARG A 114 -11.228 -2.198 -4.879 1.00 1.34 N ATOM 1874 CA ARG A 114 -12.092 -3.294 -5.337 1.00 1.50 C ATOM 1875 C ARG A 114 -13.233 -2.887 -6.254 1.00 1.82 C ATOM 1876 O ARG A 114 -14.093 -2.075 -5.928 1.00 2.41 O ATOM 1877 CB ARG A 114 -12.571 -4.184 -4.194 1.00 1.80 C ATOM 1878 CG ARG A 114 -12.837 -3.484 -2.870 1.00 2.76 C ATOM 1879 CD ARG A 114 -14.246 -2.907 -2.812 1.00 3.56 C ATOM 1880 NE ARG A 114 -15.265 -3.953 -2.746 1.00 4.38 N ATOM 1881 CZ ARG A 114 -16.577 -3.726 -2.807 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -17.041 -2.514 -3.077 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -17.425 -4.726 -2.622 1.00 6.29 N ATOM 0 H ARG A 114 -10.236 -2.426 -4.937 1.00 1.34 H new ATOM 0 HA ARG A 114 -11.433 -3.889 -5.969 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -13.487 -4.684 -4.509 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -11.825 -4.961 -4.028 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -12.698 -4.190 -2.051 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -12.110 -2.684 -2.728 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -14.336 -2.258 -1.941 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -14.420 -2.287 -3.691 1.00 3.56 H new ATOM 0 HE ARG A 114 -14.952 -4.919 -2.647 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -16.392 -1.744 -3.240 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -18.047 -2.351 -3.121 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -17.073 -5.665 -2.434 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -18.430 -4.558 -2.668 1.00 6.29 H new ATOM 1897 N SER A 115 -13.247 -3.560 -7.385 1.00 2.02 N ATOM 1898 CA SER A 115 -14.101 -3.208 -8.510 1.00 2.76 C ATOM 1899 C SER A 115 -13.600 -1.919 -9.151 1.00 3.19 C ATOM 1900 O SER A 115 -14.170 -0.844 -8.871 1.00 3.60 O ATOM 1901 CB SER A 115 -15.566 -3.080 -8.089 1.00 3.33 C ATOM 1902 OG SER A 115 -16.399 -2.724 -9.183 1.00 4.01 O ATOM 1903 OXT SER A 115 -12.621 -1.986 -9.928 1.00 3.62 O ATOM 0 H SER A 115 -12.661 -4.377 -7.556 1.00 2.02 H new ATOM 0 HA SER A 115 -14.051 -4.012 -9.244 1.00 2.76 H new ATOM 0 HB2 SER A 115 -15.906 -4.025 -7.665 1.00 3.33 H new ATOM 0 HB3 SER A 115 -15.655 -2.328 -7.305 1.00 3.33 H new ATOM 0 HG SER A 115 -17.327 -2.653 -8.878 1.00 4.01 H new TER 1909 SER A 115