USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HE2:sc= 1.01 K(o=1,f=-3.2!) USER MOD Single : A 1 HIS N :NH3+ -132:sc= 0.106 (180deg=-0.00198) USER MOD Single : A 2 HIS : no HD1:sc=-0.00857 X(o=-0.0086,f=0) USER MOD Single : A 3 SER OG : rot -108:sc= 0.86! USER MOD Single : A 6 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-6.9!) USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 1.23 (180deg=-0.705) USER MOD Single : A 16 ASN : amide:sc= -5.84! C(o=-5.8!,f=-4.4!) USER MOD Single : A 21 ASN : amide:sc= 0.26 X(o=0.26,f=0) USER MOD Single : A 24 SER OG : rot 89:sc= 0.865 USER MOD Single : A 27 HIS : no HE2:sc= -3.71! C(o=-3.7!,f=-7.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 34 GLN : amide:sc= -0.277 K(o=-0.28,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -0.461! (180deg=-4.62!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0726 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0235 (180deg=-0.432) USER MOD Single : A 49 HIS : no HD1:sc= -0.325 X(o=-0.33,f=-0.33) USER MOD Single : A 50 SER OG : rot 180:sc= -0.307 USER MOD Single : A 51 THR OG1 : rot 42:sc= 0.163 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 1 (180deg=0.872) USER MOD Single : A 70 GLN : amide:sc= -2.91! K(o=-2.9!,f=-0.31) USER MOD Single : A 71 ASN : amide:sc= -0.538 K(o=-0.54,f=-5.5!) USER MOD Single : A 74 GLN : amide:sc= -2.22! K(o=-2.2!,f=-1.3) USER MOD Single : A 75 TYR OH : rot -135:sc= 0.213 USER MOD Single : A 80 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.11) USER MOD Single : A 81 ASN : amide:sc= 0.708 K(o=0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 5.858 1.570 -25.855 1.00 13.78 N ATOM 2 CA HIS A 1 5.713 1.429 -24.384 1.00 13.26 C ATOM 3 C HIS A 1 7.000 0.827 -23.834 1.00 13.24 C ATOM 4 O HIS A 1 7.817 0.348 -24.589 1.00 14.02 O ATOM 5 CB HIS A 1 4.556 0.480 -24.039 1.00 13.86 C ATOM 6 CG HIS A 1 3.204 0.958 -24.556 1.00 14.39 C ATOM 7 ND1 HIS A 1 2.432 1.709 -23.824 1.00 14.28 N ATOM 8 CD2 HIS A 1 2.565 0.793 -25.761 1.00 15.32 C ATOM 9 CE1 HIS A 1 1.364 2.019 -24.520 1.00 15.17 C ATOM 10 NE2 HIS A 1 1.451 1.456 -25.699 1.00 15.77 N ATOM 0 H1 HIS A 1 5.561 2.524 -26.143 1.00 13.78 H new ATOM 0 H2 HIS A 1 6.852 1.421 -26.122 1.00 13.78 H new ATOM 0 H3 HIS A 1 5.262 0.864 -26.332 1.00 13.78 H new ATOM 0 HA HIS A 1 5.511 2.409 -23.952 1.00 13.26 H new ATOM 0 HB2 HIS A 1 4.768 -0.505 -24.455 1.00 13.86 H new ATOM 0 HB3 HIS A 1 4.502 0.364 -22.957 1.00 13.86 H new ATOM 0 HD1 HIS A 1 2.626 2.007 -22.868 1.00 14.28 H new ATOM 0 HD2 HIS A 1 2.923 0.219 -26.603 1.00 15.32 H new ATOM 0 HE1 HIS A 1 0.547 2.637 -24.177 1.00 15.17 H new ATOM 20 N HIS A 2 7.142 0.890 -22.543 1.00 12.62 N ATOM 21 CA HIS A 2 8.347 0.305 -21.884 1.00 12.95 C ATOM 22 C HIS A 2 7.828 -0.790 -20.963 1.00 13.53 C ATOM 23 O HIS A 2 8.199 -1.934 -21.066 1.00 14.71 O ATOM 24 CB HIS A 2 9.090 1.381 -21.071 1.00 12.02 C ATOM 25 CG HIS A 2 9.798 2.437 -21.929 1.00 11.88 C ATOM 26 ND1 HIS A 2 10.494 3.401 -21.382 1.00 11.52 N ATOM 27 CD2 HIS A 2 9.875 2.626 -23.287 1.00 12.52 C ATOM 28 CE1 HIS A 2 10.983 4.163 -22.335 1.00 11.96 C ATOM 29 NE2 HIS A 2 10.599 3.684 -23.493 1.00 12.53 N ATOM 0 H HIS A 2 6.472 1.324 -21.908 1.00 12.62 H new ATOM 0 HA HIS A 2 9.052 -0.088 -22.617 1.00 12.95 H new ATOM 0 HB2 HIS A 2 8.378 1.880 -20.414 1.00 12.02 H new ATOM 0 HB3 HIS A 2 9.827 0.894 -20.432 1.00 12.02 H new ATOM 0 HD2 HIS A 2 9.417 2.008 -24.045 1.00 12.52 H new ATOM 0 HE1 HIS A 2 11.599 5.038 -22.188 1.00 11.96 H new ATOM 0 HE2 HIS A 2 10.831 4.077 -24.405 1.00 12.53 H new ATOM 37 N SER A 3 6.936 -0.393 -20.112 1.00 13.04 N ATOM 38 CA SER A 3 6.312 -1.342 -19.158 1.00 14.03 C ATOM 39 C SER A 3 4.798 -1.288 -19.409 1.00 13.84 C ATOM 40 O SER A 3 4.372 -0.791 -20.443 1.00 13.97 O ATOM 41 CB SER A 3 6.686 -0.881 -17.740 1.00 14.04 C ATOM 42 OG SER A 3 5.904 -1.675 -16.865 1.00 14.98 O ATOM 0 H SER A 3 6.605 0.569 -20.034 1.00 13.04 H new ATOM 0 HA SER A 3 6.652 -2.370 -19.280 1.00 14.03 H new ATOM 0 HB2 SER A 3 7.750 -1.020 -17.550 1.00 14.04 H new ATOM 0 HB3 SER A 3 6.473 0.179 -17.603 1.00 14.04 H new ATOM 0 HG SER A 3 5.203 -1.123 -16.461 1.00 14.98 H new ATOM 48 N GLY A 4 4.022 -1.787 -18.480 1.00 13.82 N ATOM 49 CA GLY A 4 2.537 -1.759 -18.639 1.00 13.82 C ATOM 50 C GLY A 4 2.028 -0.353 -18.309 1.00 12.27 C ATOM 51 O GLY A 4 1.197 -0.162 -17.440 1.00 12.35 O ATOM 0 H GLY A 4 4.355 -2.214 -17.615 1.00 13.82 H new ATOM 0 HA2 GLY A 4 2.262 -2.029 -19.659 1.00 13.82 H new ATOM 0 HA3 GLY A 4 2.074 -2.492 -17.979 1.00 13.82 H new ATOM 55 N GLU A 5 2.549 0.588 -19.028 1.00 11.14 N ATOM 56 CA GLU A 5 2.158 2.006 -18.834 1.00 9.74 C ATOM 57 C GLU A 5 1.393 2.411 -20.097 1.00 9.25 C ATOM 58 O GLU A 5 1.871 2.152 -21.198 1.00 9.67 O ATOM 59 CB GLU A 5 3.428 2.872 -18.694 1.00 9.13 C ATOM 60 CG GLU A 5 4.617 2.048 -18.140 1.00 9.66 C ATOM 61 CD GLU A 5 4.408 1.729 -16.657 1.00 10.21 C ATOM 62 OE1 GLU A 5 4.419 2.676 -15.903 1.00 9.86 O ATOM 63 OE2 GLU A 5 4.265 0.558 -16.341 1.00 11.26 O ATOM 0 H GLU A 5 3.244 0.434 -19.758 1.00 11.14 H new ATOM 0 HA GLU A 5 1.551 2.141 -17.939 1.00 9.74 H new ATOM 0 HB2 GLU A 5 3.694 3.290 -19.665 1.00 9.13 H new ATOM 0 HB3 GLU A 5 3.225 3.713 -18.030 1.00 9.13 H new ATOM 0 HG2 GLU A 5 4.719 1.122 -18.706 1.00 9.66 H new ATOM 0 HG3 GLU A 5 5.545 2.605 -18.270 1.00 9.66 H new ATOM 70 N HIS A 6 0.257 3.036 -19.950 1.00 8.72 N ATOM 71 CA HIS A 6 -0.515 3.429 -21.176 1.00 8.56 C ATOM 72 C HIS A 6 0.132 4.670 -21.765 1.00 7.06 C ATOM 73 O HIS A 6 0.434 4.714 -22.944 1.00 7.27 O ATOM 74 CB HIS A 6 -1.976 3.718 -20.814 1.00 9.30 C ATOM 75 CG HIS A 6 -2.565 2.662 -19.882 1.00 10.55 C ATOM 76 ND1 HIS A 6 -2.345 2.703 -18.600 1.00 10.88 N ATOM 77 CD2 HIS A 6 -3.296 1.528 -20.118 1.00 11.84 C ATOM 78 CE1 HIS A 6 -2.896 1.653 -18.043 1.00 12.29 C ATOM 79 NE2 HIS A 6 -3.476 0.938 -18.974 1.00 12.81 N ATOM 0 H HIS A 6 -0.168 3.290 -19.058 1.00 8.72 H new ATOM 0 HA HIS A 6 -0.501 2.616 -21.902 1.00 8.56 H new ATOM 0 HB2 HIS A 6 -2.043 4.696 -20.338 1.00 9.30 H new ATOM 0 HB3 HIS A 6 -2.571 3.766 -21.726 1.00 9.30 H new ATOM 0 HD1 HIS A 6 -1.828 3.433 -18.109 1.00 10.88 H new ATOM 0 HD2 HIS A 6 -3.656 1.187 -21.077 1.00 11.84 H new ATOM 0 HE1 HIS A 6 -2.875 1.416 -16.989 1.00 12.29 H new ATOM 87 N PHE A 7 0.320 5.648 -20.926 1.00 6.14 N ATOM 88 CA PHE A 7 0.973 6.901 -21.385 1.00 5.35 C ATOM 89 C PHE A 7 2.164 7.150 -20.466 1.00 4.41 C ATOM 90 O PHE A 7 3.300 7.052 -20.887 1.00 5.29 O ATOM 91 CB PHE A 7 -0.022 8.070 -21.313 1.00 6.01 C ATOM 92 CG PHE A 7 0.600 9.323 -21.948 1.00 6.55 C ATOM 93 CD1 PHE A 7 0.829 9.383 -23.312 1.00 7.36 C ATOM 94 CD2 PHE A 7 0.944 10.409 -21.163 1.00 6.96 C ATOM 95 CE1 PHE A 7 1.392 10.511 -23.879 1.00 8.48 C ATOM 96 CE2 PHE A 7 1.505 11.534 -21.728 1.00 8.12 C ATOM 97 CZ PHE A 7 1.729 11.586 -23.087 1.00 8.85 C ATOM 0 H PHE A 7 0.049 5.633 -19.943 1.00 6.14 H new ATOM 0 HA PHE A 7 1.303 6.814 -22.420 1.00 5.35 H new ATOM 0 HB2 PHE A 7 -0.944 7.807 -21.832 1.00 6.01 H new ATOM 0 HB3 PHE A 7 -0.287 8.271 -20.275 1.00 6.01 H new ATOM 0 HD1 PHE A 7 0.566 8.543 -23.937 1.00 7.36 H new ATOM 0 HD2 PHE A 7 0.771 10.375 -20.097 1.00 6.96 H new ATOM 0 HE1 PHE A 7 1.568 10.549 -24.944 1.00 8.48 H new ATOM 0 HE2 PHE A 7 1.769 12.376 -21.105 1.00 8.12 H new ATOM 0 HZ PHE A 7 2.168 12.468 -23.530 1.00 8.85 H new ATOM 107 N GLU A 8 1.872 7.421 -19.224 1.00 3.60 N ATOM 108 CA GLU A 8 2.955 7.673 -18.242 1.00 3.54 C ATOM 109 C GLU A 8 2.605 6.995 -16.914 1.00 3.32 C ATOM 110 O GLU A 8 3.188 5.989 -16.553 1.00 4.53 O ATOM 111 CB GLU A 8 3.116 9.199 -18.070 1.00 4.46 C ATOM 112 CG GLU A 8 4.301 9.521 -17.140 1.00 5.56 C ATOM 113 CD GLU A 8 3.895 9.297 -15.678 1.00 5.93 C ATOM 114 OE1 GLU A 8 3.008 10.014 -15.245 1.00 6.65 O ATOM 115 OE2 GLU A 8 4.481 8.418 -15.076 1.00 6.12 O ATOM 0 H GLU A 8 0.925 7.478 -18.849 1.00 3.60 H new ATOM 0 HA GLU A 8 3.900 7.257 -18.592 1.00 3.54 H new ATOM 0 HB2 GLU A 8 3.274 9.665 -19.043 1.00 4.46 H new ATOM 0 HB3 GLU A 8 2.199 9.622 -17.659 1.00 4.46 H new ATOM 0 HG2 GLU A 8 5.153 8.889 -17.391 1.00 5.56 H new ATOM 0 HG3 GLU A 8 4.617 10.554 -17.284 1.00 5.56 H new ATOM 122 N GLY A 9 1.641 7.549 -16.219 1.00 2.68 N ATOM 123 CA GLY A 9 1.262 6.960 -14.901 1.00 3.19 C ATOM 124 C GLY A 9 -0.247 6.815 -14.723 1.00 2.46 C ATOM 125 O GLY A 9 -0.794 7.329 -13.769 1.00 2.50 O ATOM 0 H GLY A 9 1.108 8.371 -16.503 1.00 2.68 H new ATOM 0 HA2 GLY A 9 1.730 5.981 -14.799 1.00 3.19 H new ATOM 0 HA3 GLY A 9 1.658 7.587 -14.102 1.00 3.19 H new ATOM 129 N GLU A 10 -0.903 6.137 -15.619 1.00 2.90 N ATOM 130 CA GLU A 10 -2.378 5.955 -15.448 1.00 3.07 C ATOM 131 C GLU A 10 -2.669 4.457 -15.278 1.00 2.85 C ATOM 132 O GLU A 10 -3.274 3.819 -16.113 1.00 3.15 O ATOM 133 CB GLU A 10 -3.157 6.579 -16.639 1.00 4.22 C ATOM 134 CG GLU A 10 -2.811 5.946 -17.997 1.00 5.72 C ATOM 135 CD GLU A 10 -1.307 5.995 -18.246 1.00 7.18 C ATOM 136 OE1 GLU A 10 -0.812 7.089 -18.407 1.00 7.63 O ATOM 137 OE2 GLU A 10 -0.733 4.922 -18.245 1.00 8.30 O ATOM 0 H GLU A 10 -0.496 5.706 -16.449 1.00 2.90 H new ATOM 0 HA GLU A 10 -2.720 6.479 -14.556 1.00 3.07 H new ATOM 0 HB2 GLU A 10 -4.227 6.472 -16.459 1.00 4.22 H new ATOM 0 HB3 GLU A 10 -2.946 7.648 -16.681 1.00 4.22 H new ATOM 0 HG2 GLU A 10 -3.155 4.912 -18.020 1.00 5.72 H new ATOM 0 HG3 GLU A 10 -3.334 6.474 -18.794 1.00 5.72 H new ATOM 144 N LYS A 11 -2.223 3.918 -14.169 1.00 2.48 N ATOM 145 CA LYS A 11 -2.449 2.462 -13.914 1.00 2.42 C ATOM 146 C LYS A 11 -2.935 2.272 -12.479 1.00 2.06 C ATOM 147 O LYS A 11 -2.635 3.073 -11.604 1.00 2.03 O ATOM 148 CB LYS A 11 -1.159 1.652 -14.174 1.00 2.73 C ATOM 149 CG LYS A 11 0.102 2.446 -13.793 1.00 2.27 C ATOM 150 CD LYS A 11 1.327 1.521 -13.927 1.00 2.96 C ATOM 151 CE LYS A 11 2.603 2.294 -13.567 1.00 3.14 C ATOM 152 NZ LYS A 11 3.785 1.390 -13.585 1.00 4.10 N ATOM 0 H LYS A 11 -1.718 4.417 -13.437 1.00 2.48 H new ATOM 0 HA LYS A 11 -3.211 2.091 -14.600 1.00 2.42 H new ATOM 0 HB2 LYS A 11 -1.191 0.725 -13.602 1.00 2.73 H new ATOM 0 HB3 LYS A 11 -1.110 1.375 -15.227 1.00 2.73 H new ATOM 0 HG2 LYS A 11 0.212 3.315 -14.442 1.00 2.27 H new ATOM 0 HG3 LYS A 11 0.020 2.819 -12.772 1.00 2.27 H new ATOM 0 HD2 LYS A 11 1.216 0.658 -13.271 1.00 2.96 H new ATOM 0 HD3 LYS A 11 1.397 1.140 -14.946 1.00 2.96 H new ATOM 0 HE2 LYS A 11 2.752 3.110 -14.274 1.00 3.14 H new ATOM 0 HE3 LYS A 11 2.496 2.743 -12.579 1.00 3.14 H new ATOM 0 HZ1 LYS A 11 4.186 1.323 -12.628 1.00 4.10 H new ATOM 0 HZ2 LYS A 11 3.494 0.444 -13.905 1.00 4.10 H new ATOM 0 HZ3 LYS A 11 4.503 1.770 -14.235 1.00 4.10 H new ATOM 166 N VAL A 12 -3.631 1.194 -12.252 1.00 1.92 N ATOM 167 CA VAL A 12 -4.175 0.944 -10.887 1.00 1.60 C ATOM 168 C VAL A 12 -3.233 0.009 -10.130 1.00 1.32 C ATOM 169 O VAL A 12 -2.460 -0.698 -10.741 1.00 1.65 O ATOM 170 CB VAL A 12 -5.566 0.286 -11.015 1.00 1.70 C ATOM 171 CG1 VAL A 12 -6.402 0.617 -9.771 1.00 2.02 C ATOM 172 CG2 VAL A 12 -6.293 0.790 -12.274 1.00 2.74 C ATOM 0 H VAL A 12 -3.846 0.479 -12.947 1.00 1.92 H new ATOM 0 HA VAL A 12 -4.262 1.885 -10.343 1.00 1.60 H new ATOM 0 HB VAL A 12 -5.437 -0.793 -11.099 1.00 1.70 H new ATOM 0 HG11 VAL A 12 -7.385 0.154 -9.859 1.00 2.02 H new ATOM 0 HG12 VAL A 12 -5.899 0.235 -8.883 1.00 2.02 H new ATOM 0 HG13 VAL A 12 -6.517 1.698 -9.687 1.00 2.02 H new ATOM 0 HG21 VAL A 12 -7.271 0.314 -12.345 1.00 2.74 H new ATOM 0 HG22 VAL A 12 -6.419 1.871 -12.213 1.00 2.74 H new ATOM 0 HG23 VAL A 12 -5.704 0.543 -13.157 1.00 2.74 H new ATOM 182 N PHE A 13 -3.314 0.026 -8.826 1.00 1.17 N ATOM 183 CA PHE A 13 -2.437 -0.861 -8.010 1.00 1.07 C ATOM 184 C PHE A 13 -3.255 -1.518 -6.903 1.00 0.92 C ATOM 185 O PHE A 13 -4.308 -1.032 -6.525 1.00 1.19 O ATOM 186 CB PHE A 13 -1.325 -0.069 -7.307 1.00 1.47 C ATOM 187 CG PHE A 13 -0.348 0.596 -8.284 1.00 1.17 C ATOM 188 CD1 PHE A 13 -0.678 1.784 -8.909 1.00 1.63 C ATOM 189 CD2 PHE A 13 0.932 0.093 -8.442 1.00 1.23 C ATOM 190 CE1 PHE A 13 0.262 2.468 -9.657 1.00 1.81 C ATOM 191 CE2 PHE A 13 1.869 0.776 -9.191 1.00 1.36 C ATOM 192 CZ PHE A 13 1.537 1.967 -9.789 1.00 1.51 C ATOM 0 H PHE A 13 -3.951 0.617 -8.291 1.00 1.17 H new ATOM 0 HA PHE A 13 -2.006 -1.592 -8.694 1.00 1.07 H new ATOM 0 HB2 PHE A 13 -1.776 0.697 -6.676 1.00 1.47 H new ATOM 0 HB3 PHE A 13 -0.771 -0.738 -6.649 1.00 1.47 H new ATOM 0 HD1 PHE A 13 -1.678 2.181 -8.812 1.00 1.63 H new ATOM 0 HD2 PHE A 13 1.200 -0.843 -7.975 1.00 1.23 H new ATOM 0 HE1 PHE A 13 -0.005 3.397 -10.139 1.00 1.81 H new ATOM 0 HE2 PHE A 13 2.864 0.373 -9.307 1.00 1.36 H new ATOM 0 HZ PHE A 13 2.275 2.509 -10.362 1.00 1.51 H new ATOM 202 N ARG A 14 -2.724 -2.597 -6.417 1.00 0.80 N ATOM 203 CA ARG A 14 -3.365 -3.344 -5.303 1.00 0.80 C ATOM 204 C ARG A 14 -2.262 -3.860 -4.390 1.00 0.85 C ATOM 205 O ARG A 14 -1.174 -4.165 -4.839 1.00 1.20 O ATOM 206 CB ARG A 14 -4.152 -4.538 -5.869 1.00 0.95 C ATOM 207 CG ARG A 14 -4.526 -5.560 -4.767 1.00 1.55 C ATOM 208 CD ARG A 14 -5.013 -6.859 -5.427 1.00 1.92 C ATOM 209 NE ARG A 14 -3.911 -7.410 -6.284 1.00 3.14 N ATOM 210 CZ ARG A 14 -3.645 -8.690 -6.286 1.00 4.32 C ATOM 211 NH1 ARG A 14 -3.391 -9.306 -5.155 1.00 5.35 N ATOM 212 NH2 ARG A 14 -3.628 -9.300 -7.436 1.00 5.09 N ATOM 0 H ARG A 14 -1.851 -3.004 -6.752 1.00 0.80 H new ATOM 0 HA ARG A 14 -4.048 -2.695 -4.755 1.00 0.80 H new ATOM 0 HB2 ARG A 14 -5.060 -4.178 -6.353 1.00 0.95 H new ATOM 0 HB3 ARG A 14 -3.557 -5.033 -6.636 1.00 0.95 H new ATOM 0 HG2 ARG A 14 -3.663 -5.762 -4.133 1.00 1.55 H new ATOM 0 HG3 ARG A 14 -5.305 -5.151 -4.124 1.00 1.55 H new ATOM 0 HD2 ARG A 14 -5.298 -7.585 -4.666 1.00 1.92 H new ATOM 0 HD3 ARG A 14 -5.900 -6.666 -6.031 1.00 1.92 H new ATOM 0 HE ARG A 14 -3.364 -6.780 -6.871 1.00 3.14 H new ATOM 0 HH11 ARG A 14 -3.402 -8.786 -4.278 1.00 5.35 H new ATOM 0 HH12 ARG A 14 -3.183 -10.305 -5.154 1.00 5.35 H new ATOM 0 HH21 ARG A 14 -3.818 -8.779 -8.292 1.00 5.09 H new ATOM 0 HH22 ARG A 14 -3.425 -10.299 -7.481 1.00 5.09 H new ATOM 226 N VAL A 15 -2.563 -3.937 -3.137 1.00 0.74 N ATOM 227 CA VAL A 15 -1.581 -4.480 -2.173 1.00 0.77 C ATOM 228 C VAL A 15 -2.379 -5.467 -1.343 1.00 0.81 C ATOM 229 O VAL A 15 -3.581 -5.304 -1.192 1.00 1.00 O ATOM 230 CB VAL A 15 -0.979 -3.353 -1.314 1.00 0.89 C ATOM 231 CG1 VAL A 15 0.033 -3.936 -0.314 1.00 1.18 C ATOM 232 CG2 VAL A 15 -0.234 -2.377 -2.238 1.00 1.23 C ATOM 0 H VAL A 15 -3.453 -3.646 -2.733 1.00 0.74 H new ATOM 0 HA VAL A 15 -0.729 -4.958 -2.657 1.00 0.77 H new ATOM 0 HB VAL A 15 -1.779 -2.847 -0.773 1.00 0.89 H new ATOM 0 HG11 VAL A 15 0.453 -3.131 0.289 1.00 1.18 H new ATOM 0 HG12 VAL A 15 -0.469 -4.652 0.336 1.00 1.18 H new ATOM 0 HG13 VAL A 15 0.833 -4.438 -0.857 1.00 1.18 H new ATOM 0 HG21 VAL A 15 0.199 -1.572 -1.644 1.00 1.23 H new ATOM 0 HG22 VAL A 15 0.560 -2.908 -2.763 1.00 1.23 H new ATOM 0 HG23 VAL A 15 -0.932 -1.958 -2.963 1.00 1.23 H new ATOM 242 N ASN A 16 -1.747 -6.476 -0.835 1.00 0.85 N ATOM 243 CA ASN A 16 -2.520 -7.459 -0.029 1.00 1.00 C ATOM 244 C ASN A 16 -2.070 -7.406 1.413 1.00 1.10 C ATOM 245 O ASN A 16 -1.017 -6.878 1.717 1.00 1.71 O ATOM 246 CB ASN A 16 -2.327 -8.853 -0.640 1.00 1.12 C ATOM 247 CG ASN A 16 -3.272 -9.010 -1.850 1.00 1.68 C ATOM 248 OD1 ASN A 16 -3.322 -10.031 -2.500 1.00 1.93 O ATOM 249 ND2 ASN A 16 -4.050 -8.020 -2.203 1.00 3.40 N ATOM 0 H ASN A 16 -0.750 -6.666 -0.936 1.00 0.85 H new ATOM 0 HA ASN A 16 -3.583 -7.219 -0.045 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -1.291 -8.986 -0.952 1.00 1.12 H new ATOM 0 HB3 ASN A 16 -2.537 -9.622 0.104 1.00 1.12 H new ATOM 0 HD21 ASN A 16 -4.674 -8.122 -3.004 1.00 3.40 H new ATOM 0 HD22 ASN A 16 -4.033 -7.146 -1.678 1.00 3.40 H new ATOM 256 N VAL A 17 -2.907 -7.904 2.267 1.00 1.01 N ATOM 257 CA VAL A 17 -2.576 -7.894 3.713 1.00 1.14 C ATOM 258 C VAL A 17 -2.490 -9.341 4.191 1.00 1.07 C ATOM 259 O VAL A 17 -3.409 -9.865 4.810 1.00 1.31 O ATOM 260 CB VAL A 17 -3.676 -7.116 4.465 1.00 1.27 C ATOM 261 CG1 VAL A 17 -3.146 -6.674 5.830 1.00 1.55 C ATOM 262 CG2 VAL A 17 -4.085 -5.871 3.657 1.00 1.73 C ATOM 0 H VAL A 17 -3.808 -8.319 2.028 1.00 1.01 H new ATOM 0 HA VAL A 17 -1.621 -7.405 3.902 1.00 1.14 H new ATOM 0 HB VAL A 17 -4.543 -7.764 4.596 1.00 1.27 H new ATOM 0 HG11 VAL A 17 -3.923 -6.124 6.361 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -2.860 -7.551 6.411 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -2.277 -6.031 5.692 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -4.862 -5.327 4.195 1.00 1.73 H new ATOM 0 HG22 VAL A 17 -3.218 -5.225 3.521 1.00 1.73 H new ATOM 0 HG23 VAL A 17 -4.465 -6.178 2.683 1.00 1.73 H new ATOM 272 N GLU A 18 -1.400 -9.967 3.846 1.00 1.08 N ATOM 273 CA GLU A 18 -1.198 -11.373 4.253 1.00 1.10 C ATOM 274 C GLU A 18 -1.046 -11.464 5.764 1.00 0.94 C ATOM 275 O GLU A 18 -1.619 -12.337 6.395 1.00 0.95 O ATOM 276 CB GLU A 18 0.081 -11.896 3.583 1.00 1.34 C ATOM 277 CG GLU A 18 -0.065 -11.822 2.055 1.00 1.99 C ATOM 278 CD GLU A 18 -1.233 -12.709 1.612 1.00 2.51 C ATOM 279 OE1 GLU A 18 -1.020 -13.911 1.563 1.00 2.70 O ATOM 280 OE2 GLU A 18 -2.285 -12.139 1.381 1.00 3.64 O ATOM 0 H GLU A 18 -0.642 -9.559 3.298 1.00 1.08 H new ATOM 0 HA GLU A 18 -2.059 -11.969 3.949 1.00 1.10 H new ATOM 0 HB2 GLU A 18 0.939 -11.305 3.905 1.00 1.34 H new ATOM 0 HB3 GLU A 18 0.269 -12.925 3.890 1.00 1.34 H new ATOM 0 HG2 GLU A 18 -0.238 -10.792 1.745 1.00 1.99 H new ATOM 0 HG3 GLU A 18 0.857 -12.149 1.574 1.00 1.99 H new ATOM 287 N ASP A 19 -0.306 -10.540 6.309 1.00 0.95 N ATOM 288 CA ASP A 19 -0.058 -10.561 7.770 1.00 0.94 C ATOM 289 C ASP A 19 0.024 -9.130 8.323 1.00 0.82 C ATOM 290 O ASP A 19 -0.619 -8.227 7.821 1.00 1.00 O ATOM 291 CB ASP A 19 1.261 -11.313 7.996 1.00 1.26 C ATOM 292 CG ASP A 19 2.449 -10.375 7.757 1.00 2.09 C ATOM 293 OD1 ASP A 19 2.374 -9.582 6.827 1.00 3.24 O ATOM 294 OD2 ASP A 19 3.364 -10.484 8.546 1.00 2.61 O ATOM 0 H ASP A 19 0.136 -9.773 5.803 1.00 0.95 H new ATOM 0 HA ASP A 19 -0.874 -11.060 8.294 1.00 0.94 H new ATOM 0 HB2 ASP A 19 1.296 -11.705 9.013 1.00 1.26 H new ATOM 0 HB3 ASP A 19 1.321 -12.168 7.323 1.00 1.26 H new ATOM 299 N GLU A 20 0.828 -8.978 9.347 1.00 0.88 N ATOM 300 CA GLU A 20 1.020 -7.665 10.010 1.00 0.82 C ATOM 301 C GLU A 20 2.260 -6.936 9.438 1.00 0.75 C ATOM 302 O GLU A 20 2.397 -5.730 9.574 1.00 0.80 O ATOM 303 CB GLU A 20 1.185 -7.972 11.493 1.00 0.94 C ATOM 304 CG GLU A 20 -0.159 -8.483 12.072 1.00 1.67 C ATOM 305 CD GLU A 20 -1.169 -7.340 12.299 1.00 2.19 C ATOM 306 OE1 GLU A 20 -0.717 -6.206 12.401 1.00 3.08 O ATOM 307 OE2 GLU A 20 -2.345 -7.671 12.395 1.00 3.20 O ATOM 0 H GLU A 20 1.372 -9.737 9.757 1.00 0.88 H new ATOM 0 HA GLU A 20 0.175 -6.998 9.840 1.00 0.82 H new ATOM 0 HB2 GLU A 20 1.962 -8.723 11.635 1.00 0.94 H new ATOM 0 HB3 GLU A 20 1.505 -7.077 12.026 1.00 0.94 H new ATOM 0 HG2 GLU A 20 -0.590 -9.216 11.391 1.00 1.67 H new ATOM 0 HG3 GLU A 20 0.026 -8.995 13.016 1.00 1.67 H new ATOM 314 N ASN A 21 3.156 -7.684 8.847 1.00 0.89 N ATOM 315 CA ASN A 21 4.374 -7.069 8.225 1.00 0.89 C ATOM 316 C ASN A 21 3.901 -6.155 7.110 1.00 0.80 C ATOM 317 O ASN A 21 4.196 -4.972 7.081 1.00 0.83 O ATOM 318 CB ASN A 21 5.264 -8.160 7.604 1.00 1.02 C ATOM 319 CG ASN A 21 6.304 -7.519 6.665 1.00 1.59 C ATOM 320 OD1 ASN A 21 7.278 -6.943 7.112 1.00 2.07 O ATOM 321 ND2 ASN A 21 6.124 -7.574 5.371 1.00 2.37 N ATOM 0 H ASN A 21 3.099 -8.699 8.767 1.00 0.89 H new ATOM 0 HA ASN A 21 4.944 -6.529 8.981 1.00 0.89 H new ATOM 0 HB2 ASN A 21 5.769 -8.721 8.391 1.00 1.02 H new ATOM 0 HB3 ASN A 21 4.650 -8.870 7.050 1.00 1.02 H new ATOM 0 HD21 ASN A 21 6.798 -7.136 4.743 1.00 2.37 H new ATOM 0 HD22 ASN A 21 5.310 -8.055 4.989 1.00 2.37 H new ATOM 328 N ASP A 22 3.181 -6.757 6.200 1.00 0.75 N ATOM 329 CA ASP A 22 2.645 -5.983 5.059 1.00 0.72 C ATOM 330 C ASP A 22 1.896 -4.778 5.588 1.00 0.69 C ATOM 331 O ASP A 22 1.864 -3.728 4.960 1.00 0.91 O ATOM 332 CB ASP A 22 1.775 -6.929 4.248 1.00 0.78 C ATOM 333 CG ASP A 22 2.731 -7.672 3.311 1.00 2.03 C ATOM 334 OD1 ASP A 22 3.568 -8.399 3.834 1.00 3.27 O ATOM 335 OD2 ASP A 22 2.627 -7.430 2.120 1.00 2.72 O ATOM 0 H ASP A 22 2.945 -7.749 6.204 1.00 0.75 H new ATOM 0 HA ASP A 22 3.428 -5.594 4.407 1.00 0.72 H new ATOM 0 HB2 ASP A 22 1.243 -7.625 4.897 1.00 0.78 H new ATOM 0 HB3 ASP A 22 1.021 -6.380 3.683 1.00 0.78 H new ATOM 340 N ILE A 23 1.274 -4.947 6.730 1.00 0.61 N ATOM 341 CA ILE A 23 0.582 -3.770 7.306 1.00 0.64 C ATOM 342 C ILE A 23 1.702 -2.840 7.758 1.00 0.79 C ATOM 343 O ILE A 23 1.969 -1.895 7.076 1.00 1.25 O ATOM 344 CB ILE A 23 -0.329 -4.155 8.492 1.00 0.68 C ATOM 345 CG1 ILE A 23 -1.532 -4.935 7.941 1.00 0.66 C ATOM 346 CG2 ILE A 23 -0.815 -2.875 9.202 1.00 0.96 C ATOM 347 CD1 ILE A 23 -2.424 -5.415 9.091 1.00 0.83 C ATOM 0 H ILE A 23 1.219 -5.814 7.264 1.00 0.61 H new ATOM 0 HA ILE A 23 -0.079 -3.302 6.576 1.00 0.64 H new ATOM 0 HB ILE A 23 0.217 -4.769 9.208 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -2.107 -4.301 7.265 1.00 0.66 H new ATOM 0 HG13 ILE A 23 -1.185 -5.789 7.359 1.00 0.66 H new ATOM 0 HG21 ILE A 23 -1.458 -3.145 10.039 1.00 0.96 H new ATOM 0 HG22 ILE A 23 0.044 -2.315 9.571 1.00 0.96 H new ATOM 0 HG23 ILE A 23 -1.375 -2.259 8.498 1.00 0.96 H new ATOM 0 HD11 ILE A 23 -3.273 -5.966 8.687 1.00 0.83 H new ATOM 0 HD12 ILE A 23 -1.849 -6.066 9.750 1.00 0.83 H new ATOM 0 HD13 ILE A 23 -2.785 -4.555 9.655 1.00 0.83 H new ATOM 359 N SER A 24 2.335 -3.147 8.870 1.00 0.64 N ATOM 360 CA SER A 24 3.471 -2.300 9.381 1.00 0.74 C ATOM 361 C SER A 24 4.166 -1.517 8.253 1.00 0.71 C ATOM 362 O SER A 24 4.346 -0.315 8.339 1.00 0.92 O ATOM 363 CB SER A 24 4.490 -3.234 10.044 1.00 0.85 C ATOM 364 OG SER A 24 3.767 -3.834 11.116 1.00 1.13 O ATOM 0 H SER A 24 2.112 -3.955 9.452 1.00 0.64 H new ATOM 0 HA SER A 24 3.072 -1.570 10.086 1.00 0.74 H new ATOM 0 HB2 SER A 24 4.859 -3.983 9.343 1.00 0.85 H new ATOM 0 HB3 SER A 24 5.358 -2.683 10.407 1.00 0.85 H new ATOM 0 HG SER A 24 3.327 -4.649 10.798 1.00 1.13 H new ATOM 370 N GLU A 25 4.474 -2.235 7.208 1.00 0.59 N ATOM 371 CA GLU A 25 5.173 -1.644 6.033 1.00 0.65 C ATOM 372 C GLU A 25 4.281 -0.705 5.206 1.00 0.70 C ATOM 373 O GLU A 25 4.546 0.474 5.106 1.00 0.77 O ATOM 374 CB GLU A 25 5.631 -2.803 5.147 1.00 0.74 C ATOM 375 CG GLU A 25 6.774 -3.577 5.823 1.00 1.05 C ATOM 376 CD GLU A 25 7.989 -2.656 6.025 1.00 1.93 C ATOM 377 OE1 GLU A 25 8.556 -2.268 5.009 1.00 2.88 O ATOM 378 OE2 GLU A 25 8.275 -2.400 7.186 1.00 2.91 O ATOM 0 H GLU A 25 4.265 -3.229 7.118 1.00 0.59 H new ATOM 0 HA GLU A 25 6.005 -1.041 6.397 1.00 0.65 H new ATOM 0 HB2 GLU A 25 4.794 -3.474 4.954 1.00 0.74 H new ATOM 0 HB3 GLU A 25 5.963 -2.421 4.182 1.00 0.74 H new ATOM 0 HG2 GLU A 25 6.440 -3.968 6.784 1.00 1.05 H new ATOM 0 HG3 GLU A 25 7.055 -4.434 5.211 1.00 1.05 H new ATOM 385 N LEU A 26 3.238 -1.214 4.609 1.00 0.80 N ATOM 386 CA LEU A 26 2.381 -0.340 3.796 1.00 0.92 C ATOM 387 C LEU A 26 1.844 0.784 4.691 1.00 0.91 C ATOM 388 O LEU A 26 1.742 1.936 4.297 1.00 0.94 O ATOM 389 CB LEU A 26 1.250 -1.207 3.243 1.00 1.18 C ATOM 390 CG LEU A 26 0.388 -0.304 2.384 1.00 1.10 C ATOM 391 CD1 LEU A 26 1.105 0.017 1.069 1.00 2.25 C ATOM 392 CD2 LEU A 26 -0.962 -0.956 2.097 1.00 1.68 C ATOM 0 H LEU A 26 2.953 -2.192 4.655 1.00 0.80 H new ATOM 0 HA LEU A 26 2.922 0.118 2.968 1.00 0.92 H new ATOM 0 HB2 LEU A 26 1.649 -2.034 2.656 1.00 1.18 H new ATOM 0 HB3 LEU A 26 0.666 -1.643 4.053 1.00 1.18 H new ATOM 0 HG LEU A 26 0.214 0.623 2.931 1.00 1.10 H new ATOM 0 HD11 LEU A 26 0.476 0.666 0.461 1.00 2.25 H new ATOM 0 HD12 LEU A 26 2.048 0.521 1.282 1.00 2.25 H new ATOM 0 HD13 LEU A 26 1.303 -0.908 0.527 1.00 2.25 H new ATOM 0 HD21 LEU A 26 -1.564 -0.290 1.479 1.00 1.68 H new ATOM 0 HD22 LEU A 26 -0.807 -1.898 1.571 1.00 1.68 H new ATOM 0 HD23 LEU A 26 -1.481 -1.147 3.036 1.00 1.68 H new ATOM 404 N HIS A 27 1.513 0.376 5.873 1.00 1.00 N ATOM 405 CA HIS A 27 0.982 1.295 6.921 1.00 1.18 C ATOM 406 C HIS A 27 1.958 2.457 7.123 1.00 1.09 C ATOM 407 O HIS A 27 1.574 3.539 7.533 1.00 1.35 O ATOM 408 CB HIS A 27 0.852 0.482 8.211 1.00 1.50 C ATOM 409 CG HIS A 27 -0.110 1.063 9.233 1.00 0.84 C ATOM 410 ND1 HIS A 27 0.045 2.263 9.699 1.00 1.39 N ATOM 411 CD2 HIS A 27 -1.231 0.544 9.828 1.00 1.19 C ATOM 412 CE1 HIS A 27 -0.925 2.499 10.548 1.00 1.69 C ATOM 413 NE2 HIS A 27 -1.697 1.450 10.628 1.00 1.34 N ATOM 0 H HIS A 27 1.589 -0.595 6.174 1.00 1.00 H new ATOM 0 HA HIS A 27 0.016 1.708 6.631 1.00 1.18 H new ATOM 0 HB2 HIS A 27 0.526 -0.527 7.957 1.00 1.50 H new ATOM 0 HB3 HIS A 27 1.837 0.393 8.669 1.00 1.50 H new ATOM 0 HD1 HIS A 27 0.792 2.911 9.448 1.00 1.39 H new ATOM 0 HD2 HIS A 27 -1.648 -0.438 9.661 1.00 1.19 H new ATOM 0 HE1 HIS A 27 -1.064 3.419 11.096 1.00 1.69 H new ATOM 421 N GLU A 28 3.207 2.151 6.908 1.00 1.03 N ATOM 422 CA GLU A 28 4.279 3.168 7.040 1.00 1.01 C ATOM 423 C GLU A 28 4.223 4.054 5.804 1.00 1.01 C ATOM 424 O GLU A 28 3.946 5.236 5.909 1.00 1.35 O ATOM 425 CB GLU A 28 5.624 2.434 7.097 1.00 0.94 C ATOM 426 CG GLU A 28 6.787 3.416 7.304 1.00 1.45 C ATOM 427 CD GLU A 28 8.002 2.951 6.488 1.00 2.71 C ATOM 428 OE1 GLU A 28 8.267 1.757 6.529 1.00 3.84 O ATOM 429 OE2 GLU A 28 8.605 3.817 5.880 1.00 3.73 O ATOM 0 H GLU A 28 3.532 1.222 6.642 1.00 1.03 H new ATOM 0 HA GLU A 28 4.157 3.773 7.938 1.00 1.01 H new ATOM 0 HB2 GLU A 28 5.610 1.707 7.909 1.00 0.94 H new ATOM 0 HB3 GLU A 28 5.776 1.876 6.173 1.00 0.94 H new ATOM 0 HG2 GLU A 28 6.490 4.418 6.995 1.00 1.45 H new ATOM 0 HG3 GLU A 28 7.046 3.472 8.361 1.00 1.45 H new ATOM 436 N LEU A 29 4.451 3.446 4.660 1.00 1.01 N ATOM 437 CA LEU A 29 4.420 4.195 3.366 1.00 1.21 C ATOM 438 C LEU A 29 3.337 5.273 3.415 1.00 1.31 C ATOM 439 O LEU A 29 3.535 6.387 2.968 1.00 1.64 O ATOM 440 CB LEU A 29 4.140 3.193 2.232 1.00 1.34 C ATOM 441 CG LEU A 29 4.087 3.895 0.863 1.00 1.55 C ATOM 442 CD1 LEU A 29 5.419 4.594 0.562 1.00 2.05 C ATOM 443 CD2 LEU A 29 3.815 2.855 -0.235 1.00 2.09 C ATOM 0 H LEU A 29 4.659 2.451 4.571 1.00 1.01 H new ATOM 0 HA LEU A 29 5.377 4.687 3.189 1.00 1.21 H new ATOM 0 HB2 LEU A 29 4.916 2.428 2.220 1.00 1.34 H new ATOM 0 HB3 LEU A 29 3.194 2.685 2.419 1.00 1.34 H new ATOM 0 HG LEU A 29 3.290 4.638 0.887 1.00 1.55 H new ATOM 0 HD11 LEU A 29 5.361 5.084 -0.410 1.00 2.05 H new ATOM 0 HD12 LEU A 29 5.622 5.338 1.332 1.00 2.05 H new ATOM 0 HD13 LEU A 29 6.222 3.857 0.549 1.00 2.05 H new ATOM 0 HD21 LEU A 29 3.777 3.351 -1.205 1.00 2.09 H new ATOM 0 HD22 LEU A 29 4.613 2.112 -0.238 1.00 2.09 H new ATOM 0 HD23 LEU A 29 2.862 2.363 -0.042 1.00 2.09 H new ATOM 455 N ALA A 30 2.205 4.880 3.951 1.00 1.31 N ATOM 456 CA ALA A 30 1.030 5.800 4.091 1.00 1.53 C ATOM 457 C ALA A 30 1.414 7.267 4.362 1.00 1.72 C ATOM 458 O ALA A 30 0.959 8.144 3.651 1.00 2.32 O ATOM 459 CB ALA A 30 0.142 5.301 5.235 1.00 1.55 C ATOM 0 H ALA A 30 2.043 3.937 4.306 1.00 1.31 H new ATOM 0 HA ALA A 30 0.507 5.785 3.135 1.00 1.53 H new ATOM 0 HB1 ALA A 30 -0.716 5.964 5.345 1.00 1.55 H new ATOM 0 HB2 ALA A 30 -0.205 4.292 5.013 1.00 1.55 H new ATOM 0 HB3 ALA A 30 0.715 5.292 6.162 1.00 1.55 H new ATOM 465 N SER A 31 2.266 7.495 5.343 1.00 1.68 N ATOM 466 CA SER A 31 2.663 8.909 5.681 1.00 2.09 C ATOM 467 C SER A 31 3.890 9.351 4.883 1.00 2.17 C ATOM 468 O SER A 31 4.720 10.101 5.359 1.00 2.78 O ATOM 469 CB SER A 31 2.994 9.005 7.178 1.00 2.39 C ATOM 470 OG SER A 31 1.733 9.085 7.828 1.00 3.21 O ATOM 0 H SER A 31 2.699 6.773 5.918 1.00 1.68 H new ATOM 0 HA SER A 31 1.826 9.560 5.428 1.00 2.09 H new ATOM 0 HB2 SER A 31 3.557 8.135 7.514 1.00 2.39 H new ATOM 0 HB3 SER A 31 3.605 9.882 7.392 1.00 2.39 H new ATOM 0 HG SER A 31 1.868 9.148 8.797 1.00 3.21 H new ATOM 476 N THR A 32 3.976 8.883 3.683 1.00 2.10 N ATOM 477 CA THR A 32 5.129 9.251 2.808 1.00 2.50 C ATOM 478 C THR A 32 4.627 9.331 1.379 1.00 2.70 C ATOM 479 O THR A 32 5.018 10.195 0.616 1.00 3.04 O ATOM 480 CB THR A 32 6.212 8.185 2.991 1.00 2.60 C ATOM 481 OG1 THR A 32 6.672 8.405 4.317 1.00 2.52 O ATOM 482 CG2 THR A 32 7.440 8.423 2.111 1.00 3.46 C ATOM 0 H THR A 32 3.295 8.254 3.257 1.00 2.10 H new ATOM 0 HA THR A 32 5.559 10.219 3.065 1.00 2.50 H new ATOM 0 HB THR A 32 5.803 7.202 2.758 1.00 2.60 H new ATOM 0 HG1 THR A 32 7.377 7.759 4.530 1.00 2.52 H new ATOM 0 HG21 THR A 32 8.172 7.634 2.286 1.00 3.46 H new ATOM 0 HG22 THR A 32 7.143 8.416 1.062 1.00 3.46 H new ATOM 0 HG23 THR A 32 7.882 9.389 2.356 1.00 3.46 H new ATOM 490 N ARG A 33 3.785 8.383 1.057 1.00 2.84 N ATOM 491 CA ARG A 33 3.167 8.335 -0.292 1.00 3.22 C ATOM 492 C ARG A 33 2.146 9.471 -0.384 1.00 2.02 C ATOM 493 O ARG A 33 1.607 9.890 0.626 1.00 1.88 O ATOM 494 CB ARG A 33 2.437 6.987 -0.444 1.00 4.35 C ATOM 495 CG ARG A 33 1.276 6.904 0.570 1.00 4.83 C ATOM 496 CD ARG A 33 0.684 5.488 0.581 1.00 6.43 C ATOM 497 NE ARG A 33 -0.626 5.470 1.321 1.00 7.25 N ATOM 498 CZ ARG A 33 -1.591 6.305 1.011 1.00 7.60 C ATOM 499 NH1 ARG A 33 -1.564 7.518 1.458 1.00 7.49 N ATOM 500 NH2 ARG A 33 -2.549 5.897 0.252 1.00 8.51 N ATOM 0 H ARG A 33 3.499 7.631 1.684 1.00 2.84 H new ATOM 0 HA ARG A 33 3.921 8.439 -1.072 1.00 3.22 H new ATOM 0 HB2 ARG A 33 2.054 6.883 -1.459 1.00 4.35 H new ATOM 0 HB3 ARG A 33 3.134 6.165 -0.281 1.00 4.35 H new ATOM 0 HG2 ARG A 33 1.634 7.164 1.566 1.00 4.83 H new ATOM 0 HG3 ARG A 33 0.503 7.627 0.310 1.00 4.83 H new ATOM 0 HD2 ARG A 33 0.535 5.142 -0.442 1.00 6.43 H new ATOM 0 HD3 ARG A 33 1.384 4.798 1.052 1.00 6.43 H new ATOM 0 HE ARG A 33 -0.767 4.798 2.076 1.00 7.25 H new ATOM 0 HH11 ARG A 33 -0.793 7.826 2.051 1.00 7.49 H new ATOM 0 HH12 ARG A 33 -2.313 8.167 1.217 1.00 7.49 H new ATOM 0 HH21 ARG A 33 -2.550 4.939 -0.098 1.00 8.51 H new ATOM 0 HH22 ARG A 33 -3.307 6.532 0.001 1.00 8.51 H new ATOM 514 N GLN A 34 1.856 9.892 -1.585 1.00 2.51 N ATOM 515 CA GLN A 34 0.868 10.991 -1.774 1.00 2.47 C ATOM 516 C GLN A 34 -0.346 10.389 -2.494 1.00 2.15 C ATOM 517 O GLN A 34 -0.992 11.031 -3.304 1.00 2.42 O ATOM 518 CB GLN A 34 1.567 12.076 -2.621 1.00 3.67 C ATOM 519 CG GLN A 34 0.725 13.361 -2.732 1.00 4.61 C ATOM 520 CD GLN A 34 0.727 14.119 -1.403 1.00 4.83 C ATOM 521 OE1 GLN A 34 0.047 13.763 -0.471 1.00 5.38 O ATOM 522 NE2 GLN A 34 1.483 15.164 -1.267 1.00 5.39 N ATOM 0 H GLN A 34 2.262 9.521 -2.444 1.00 2.51 H new ATOM 0 HA GLN A 34 0.528 11.439 -0.840 1.00 2.47 H new ATOM 0 HB2 GLN A 34 2.533 12.314 -2.177 1.00 3.67 H new ATOM 0 HB3 GLN A 34 1.763 11.685 -3.619 1.00 3.67 H new ATOM 0 HG2 GLN A 34 1.125 13.998 -3.521 1.00 4.61 H new ATOM 0 HG3 GLN A 34 -0.298 13.110 -3.013 1.00 4.61 H new ATOM 0 HE21 GLN A 34 2.064 15.478 -2.045 1.00 5.39 H new ATOM 0 HE22 GLN A 34 1.497 15.672 -0.382 1.00 5.39 H new ATOM 531 N ILE A 35 -0.651 9.156 -2.147 1.00 1.87 N ATOM 532 CA ILE A 35 -1.809 8.458 -2.796 1.00 1.67 C ATOM 533 C ILE A 35 -2.937 8.207 -1.789 1.00 1.21 C ATOM 534 O ILE A 35 -2.810 8.452 -0.599 1.00 1.26 O ATOM 535 CB ILE A 35 -1.358 7.089 -3.380 1.00 1.99 C ATOM 536 CG1 ILE A 35 -1.253 6.048 -2.249 1.00 2.14 C ATOM 537 CG2 ILE A 35 0.006 7.239 -4.052 1.00 2.10 C ATOM 538 CD1 ILE A 35 -0.533 4.769 -2.706 1.00 2.54 C ATOM 0 H ILE A 35 -0.151 8.608 -1.447 1.00 1.87 H new ATOM 0 HA ILE A 35 -2.174 9.105 -3.594 1.00 1.67 H new ATOM 0 HB ILE A 35 -2.093 6.757 -4.114 1.00 1.99 H new ATOM 0 HG12 ILE A 35 -0.718 6.483 -1.405 1.00 2.14 H new ATOM 0 HG13 ILE A 35 -2.253 5.794 -1.896 1.00 2.14 H new ATOM 0 HG21 ILE A 35 0.318 6.278 -4.460 1.00 2.10 H new ATOM 0 HG22 ILE A 35 -0.064 7.970 -4.858 1.00 2.10 H new ATOM 0 HG23 ILE A 35 0.738 7.577 -3.318 1.00 2.10 H new ATOM 0 HD11 ILE A 35 -0.482 4.064 -1.876 1.00 2.54 H new ATOM 0 HD12 ILE A 35 -1.082 4.318 -3.533 1.00 2.54 H new ATOM 0 HD13 ILE A 35 0.477 5.017 -3.034 1.00 2.54 H new ATOM 550 N ASP A 36 -3.981 7.631 -2.294 1.00 1.17 N ATOM 551 CA ASP A 36 -5.175 7.308 -1.477 1.00 1.16 C ATOM 552 C ASP A 36 -5.287 5.784 -1.369 1.00 1.03 C ATOM 553 O ASP A 36 -4.461 5.076 -1.912 1.00 1.09 O ATOM 554 CB ASP A 36 -6.391 7.844 -2.228 1.00 1.62 C ATOM 555 CG ASP A 36 -6.567 6.999 -3.496 1.00 2.77 C ATOM 556 OD1 ASP A 36 -5.768 7.198 -4.399 1.00 3.29 O ATOM 557 OD2 ASP A 36 -7.465 6.182 -3.474 1.00 4.23 O ATOM 0 H ASP A 36 -4.060 7.361 -3.274 1.00 1.17 H new ATOM 0 HA ASP A 36 -5.109 7.744 -0.480 1.00 1.16 H new ATOM 0 HB2 ASP A 36 -7.282 7.786 -1.603 1.00 1.62 H new ATOM 0 HB3 ASP A 36 -6.250 8.894 -2.485 1.00 1.62 H new ATOM 562 N PHE A 37 -6.284 5.335 -0.658 1.00 1.12 N ATOM 563 CA PHE A 37 -6.530 3.868 -0.500 1.00 1.16 C ATOM 564 C PHE A 37 -8.021 3.644 -0.822 1.00 1.38 C ATOM 565 O PHE A 37 -8.788 3.090 -0.055 1.00 2.98 O ATOM 566 CB PHE A 37 -6.129 3.446 0.935 1.00 1.33 C ATOM 567 CG PHE A 37 -4.583 3.373 1.098 1.00 1.20 C ATOM 568 CD1 PHE A 37 -3.748 3.135 0.024 1.00 1.70 C ATOM 569 CD2 PHE A 37 -4.029 3.360 2.369 1.00 2.01 C ATOM 570 CE1 PHE A 37 -2.414 2.867 0.209 1.00 2.02 C ATOM 571 CE2 PHE A 37 -2.688 3.095 2.553 1.00 2.03 C ATOM 572 CZ PHE A 37 -1.880 2.845 1.470 1.00 1.64 C ATOM 0 H PHE A 37 -6.952 5.931 -0.170 1.00 1.12 H new ATOM 0 HA PHE A 37 -5.934 3.250 -1.172 1.00 1.16 H new ATOM 0 HB2 PHE A 37 -6.538 4.158 1.652 1.00 1.33 H new ATOM 0 HB3 PHE A 37 -6.566 2.474 1.165 1.00 1.33 H new ATOM 0 HD1 PHE A 37 -4.151 3.160 -0.978 1.00 1.70 H new ATOM 0 HD2 PHE A 37 -4.655 3.560 3.226 1.00 2.01 H new ATOM 0 HE1 PHE A 37 -1.782 2.672 -0.645 1.00 2.02 H new ATOM 0 HE2 PHE A 37 -2.272 3.084 3.550 1.00 2.03 H new ATOM 0 HZ PHE A 37 -0.831 2.633 1.612 1.00 1.64 H new ATOM 582 N TRP A 38 -8.330 4.097 -2.018 1.00 0.99 N ATOM 583 CA TRP A 38 -9.698 4.080 -2.627 1.00 1.19 C ATOM 584 C TRP A 38 -10.647 3.105 -1.956 1.00 1.24 C ATOM 585 O TRP A 38 -11.610 3.507 -1.316 1.00 1.45 O ATOM 586 CB TRP A 38 -9.543 3.728 -4.112 1.00 1.29 C ATOM 587 CG TRP A 38 -10.681 4.154 -5.047 1.00 1.68 C ATOM 588 CD1 TRP A 38 -11.835 4.811 -4.712 1.00 2.44 C ATOM 589 CD2 TRP A 38 -10.747 4.040 -6.411 1.00 2.00 C ATOM 590 NE1 TRP A 38 -12.529 5.075 -5.787 1.00 3.12 N ATOM 591 CE2 TRP A 38 -11.912 4.630 -6.867 1.00 2.85 C ATOM 592 CE3 TRP A 38 -9.846 3.451 -7.275 1.00 1.96 C ATOM 593 CZ2 TRP A 38 -12.197 4.658 -8.211 1.00 3.41 C ATOM 594 CZ3 TRP A 38 -10.145 3.482 -8.629 1.00 2.53 C ATOM 595 CH2 TRP A 38 -11.307 4.084 -9.094 1.00 3.16 C ATOM 0 H TRP A 38 -7.631 4.507 -2.637 1.00 0.99 H new ATOM 0 HA TRP A 38 -10.143 5.065 -2.491 1.00 1.19 H new ATOM 0 HB2 TRP A 38 -8.619 4.180 -4.473 1.00 1.29 H new ATOM 0 HB3 TRP A 38 -9.423 2.648 -4.194 1.00 1.29 H new ATOM 0 HD1 TRP A 38 -12.128 5.073 -3.706 1.00 2.44 H new ATOM 0 HE1 TRP A 38 -13.427 5.560 -5.792 1.00 3.12 H new ATOM 0 HE3 TRP A 38 -8.943 2.984 -6.911 1.00 1.96 H new ATOM 0 HZ2 TRP A 38 -13.104 5.122 -8.570 1.00 3.41 H new ATOM 0 HZ3 TRP A 38 -9.463 3.030 -9.334 1.00 2.53 H new ATOM 0 HH2 TRP A 38 -11.515 4.103 -10.154 1.00 3.16 H new ATOM 606 N LYS A 39 -10.375 1.846 -2.140 1.00 1.24 N ATOM 607 CA LYS A 39 -11.262 0.813 -1.520 1.00 1.46 C ATOM 608 C LYS A 39 -10.432 -0.342 -0.979 1.00 1.51 C ATOM 609 O LYS A 39 -9.388 -0.674 -1.504 1.00 1.61 O ATOM 610 CB LYS A 39 -12.256 0.236 -2.547 1.00 2.05 C ATOM 611 CG LYS A 39 -12.973 1.349 -3.339 1.00 3.17 C ATOM 612 CD LYS A 39 -12.366 1.449 -4.743 1.00 4.11 C ATOM 613 CE LYS A 39 -12.649 0.146 -5.513 1.00 3.89 C ATOM 614 NZ LYS A 39 -11.438 -0.297 -6.254 1.00 4.10 N ATOM 0 H LYS A 39 -9.591 1.486 -2.683 1.00 1.24 H new ATOM 0 HA LYS A 39 -11.809 1.304 -0.716 1.00 1.46 H new ATOM 0 HB2 LYS A 39 -11.725 -0.418 -3.239 1.00 2.05 H new ATOM 0 HB3 LYS A 39 -12.995 -0.378 -2.032 1.00 2.05 H new ATOM 0 HG2 LYS A 39 -14.039 1.133 -3.407 1.00 3.17 H new ATOM 0 HG3 LYS A 39 -12.873 2.302 -2.819 1.00 3.17 H new ATOM 0 HD2 LYS A 39 -12.791 2.300 -5.276 1.00 4.11 H new ATOM 0 HD3 LYS A 39 -11.291 1.619 -4.676 1.00 4.11 H new ATOM 0 HE2 LYS A 39 -12.962 -0.633 -4.818 1.00 3.89 H new ATOM 0 HE3 LYS A 39 -13.472 0.301 -6.210 1.00 3.89 H new ATOM 0 HZ1 LYS A 39 -11.708 -0.596 -7.213 1.00 4.10 H new ATOM 0 HZ2 LYS A 39 -10.761 0.490 -6.314 1.00 4.10 H new ATOM 0 HZ3 LYS A 39 -10.997 -1.095 -5.754 1.00 4.10 H new ATOM 628 N PRO A 40 -10.962 -0.989 0.026 1.00 1.79 N ATOM 629 CA PRO A 40 -11.432 -0.381 1.275 1.00 1.42 C ATOM 630 C PRO A 40 -10.272 -0.528 2.232 1.00 2.10 C ATOM 631 O PRO A 40 -9.913 -1.622 2.616 1.00 3.82 O ATOM 632 CB PRO A 40 -12.615 -1.230 1.694 1.00 2.67 C ATOM 633 CG PRO A 40 -12.651 -2.422 0.686 1.00 3.86 C ATOM 634 CD PRO A 40 -11.266 -2.417 0.001 1.00 3.07 C ATOM 0 HA PRO A 40 -11.732 0.665 1.218 1.00 1.42 H new ATOM 0 HB2 PRO A 40 -12.500 -1.585 2.718 1.00 2.67 H new ATOM 0 HB3 PRO A 40 -13.542 -0.657 1.658 1.00 2.67 H new ATOM 0 HG2 PRO A 40 -12.833 -3.366 1.199 1.00 3.86 H new ATOM 0 HG3 PRO A 40 -13.451 -2.297 -0.043 1.00 3.86 H new ATOM 0 HD2 PRO A 40 -10.531 -3.007 0.548 1.00 3.07 H new ATOM 0 HD3 PRO A 40 -11.304 -2.815 -1.013 1.00 3.07 H new ATOM 642 N ASP A 41 -9.890 0.568 2.762 1.00 2.03 N ATOM 643 CA ASP A 41 -8.738 0.608 3.581 1.00 3.56 C ATOM 644 C ASP A 41 -9.036 1.470 4.770 1.00 2.73 C ATOM 645 O ASP A 41 -9.804 2.411 4.787 1.00 2.93 O ATOM 646 CB ASP A 41 -7.583 1.221 2.807 1.00 5.25 C ATOM 647 CG ASP A 41 -6.549 1.779 3.789 1.00 6.20 C ATOM 648 OD1 ASP A 41 -5.699 1.013 4.193 1.00 7.46 O ATOM 649 OD2 ASP A 41 -6.708 2.933 4.138 1.00 6.06 O ATOM 0 H ASP A 41 -10.364 1.463 2.643 1.00 2.03 H new ATOM 0 HA ASP A 41 -8.469 -0.401 3.894 1.00 3.56 H new ATOM 0 HB2 ASP A 41 -7.122 0.470 2.165 1.00 5.25 H new ATOM 0 HB3 ASP A 41 -7.948 2.016 2.157 1.00 5.25 H new ATOM 654 N SER A 42 -8.523 0.944 5.739 1.00 2.84 N ATOM 655 CA SER A 42 -8.551 1.546 7.072 1.00 2.86 C ATOM 656 C SER A 42 -7.176 1.383 7.714 1.00 2.50 C ATOM 657 O SER A 42 -7.092 0.939 8.836 1.00 3.53 O ATOM 658 CB SER A 42 -9.632 0.851 7.912 1.00 3.86 C ATOM 659 OG SER A 42 -10.808 0.983 7.122 1.00 4.51 O ATOM 0 H SER A 42 -8.036 0.048 5.700 1.00 2.84 H new ATOM 0 HA SER A 42 -8.787 2.608 7.010 1.00 2.86 H new ATOM 0 HB2 SER A 42 -9.387 -0.195 8.094 1.00 3.86 H new ATOM 0 HB3 SER A 42 -9.749 1.325 8.887 1.00 3.86 H new ATOM 0 HG SER A 42 -11.562 0.561 7.584 1.00 4.51 H new ATOM 665 N VAL A 43 -6.151 1.736 6.959 1.00 1.61 N ATOM 666 CA VAL A 43 -4.716 1.647 7.426 1.00 1.41 C ATOM 667 C VAL A 43 -4.558 1.119 8.859 1.00 1.58 C ATOM 668 O VAL A 43 -4.043 0.037 9.079 1.00 1.84 O ATOM 669 CB VAL A 43 -4.092 3.059 7.322 1.00 1.74 C ATOM 670 CG1 VAL A 43 -2.729 3.122 8.028 1.00 2.25 C ATOM 671 CG2 VAL A 43 -3.867 3.402 5.853 1.00 2.37 C ATOM 0 H VAL A 43 -6.253 2.093 6.009 1.00 1.61 H new ATOM 0 HA VAL A 43 -4.207 0.926 6.786 1.00 1.41 H new ATOM 0 HB VAL A 43 -4.778 3.761 7.796 1.00 1.74 H new ATOM 0 HG11 VAL A 43 -2.318 4.127 7.936 1.00 2.25 H new ATOM 0 HG12 VAL A 43 -2.854 2.876 9.082 1.00 2.25 H new ATOM 0 HG13 VAL A 43 -2.047 2.408 7.567 1.00 2.25 H new ATOM 0 HG21 VAL A 43 -3.427 4.396 5.775 1.00 2.37 H new ATOM 0 HG22 VAL A 43 -3.192 2.671 5.408 1.00 2.37 H new ATOM 0 HG23 VAL A 43 -4.820 3.384 5.325 1.00 2.37 H new ATOM 681 N THR A 44 -5.012 1.910 9.790 1.00 1.89 N ATOM 682 CA THR A 44 -4.917 1.554 11.231 1.00 2.19 C ATOM 683 C THR A 44 -5.820 0.382 11.597 1.00 2.12 C ATOM 684 O THR A 44 -5.367 -0.610 12.128 1.00 2.52 O ATOM 685 CB THR A 44 -5.351 2.776 12.039 1.00 2.61 C ATOM 686 OG1 THR A 44 -6.587 3.178 11.437 1.00 2.53 O ATOM 687 CG2 THR A 44 -4.402 3.956 11.819 1.00 2.77 C ATOM 0 H THR A 44 -5.456 2.810 9.606 1.00 1.89 H new ATOM 0 HA THR A 44 -3.891 1.259 11.449 1.00 2.19 H new ATOM 0 HB THR A 44 -5.391 2.531 13.100 1.00 2.61 H new ATOM 0 HG1 THR A 44 -6.938 3.965 11.904 1.00 2.53 H new ATOM 0 HG21 THR A 44 -4.739 4.809 12.408 1.00 2.77 H new ATOM 0 HG22 THR A 44 -3.395 3.676 12.129 1.00 2.77 H new ATOM 0 HG23 THR A 44 -4.394 4.225 10.763 1.00 2.77 H new ATOM 695 N GLN A 45 -7.074 0.508 11.280 1.00 2.07 N ATOM 696 CA GLN A 45 -8.033 -0.575 11.625 1.00 2.20 C ATOM 697 C GLN A 45 -8.156 -1.570 10.472 1.00 1.91 C ATOM 698 O GLN A 45 -9.240 -1.896 10.029 1.00 2.13 O ATOM 699 CB GLN A 45 -9.401 0.044 11.950 1.00 2.75 C ATOM 700 CG GLN A 45 -9.318 0.788 13.293 1.00 4.02 C ATOM 701 CD GLN A 45 -10.660 1.468 13.591 1.00 4.48 C ATOM 702 OE1 GLN A 45 -11.162 2.240 12.806 1.00 4.59 O ATOM 703 NE2 GLN A 45 -11.276 1.215 14.709 1.00 5.70 N ATOM 0 H GLN A 45 -7.477 1.311 10.798 1.00 2.07 H new ATOM 0 HA GLN A 45 -7.666 -1.115 12.498 1.00 2.20 H new ATOM 0 HB2 GLN A 45 -9.699 0.732 11.158 1.00 2.75 H new ATOM 0 HB3 GLN A 45 -10.162 -0.734 11.999 1.00 2.75 H new ATOM 0 HG2 GLN A 45 -9.068 0.090 14.092 1.00 4.02 H new ATOM 0 HG3 GLN A 45 -8.522 1.532 13.259 1.00 4.02 H new ATOM 0 HE21 GLN A 45 -10.866 0.567 15.382 1.00 5.70 H new ATOM 0 HE22 GLN A 45 -12.168 1.665 14.913 1.00 5.70 H new ATOM 712 N ILE A 46 -7.024 -2.044 10.038 1.00 1.72 N ATOM 713 CA ILE A 46 -6.998 -3.049 8.936 1.00 1.51 C ATOM 714 C ILE A 46 -6.393 -4.316 9.538 1.00 1.32 C ATOM 715 O ILE A 46 -5.793 -4.254 10.594 1.00 1.39 O ATOM 716 CB ILE A 46 -6.158 -2.495 7.752 1.00 1.34 C ATOM 717 CG1 ILE A 46 -7.104 -2.236 6.564 1.00 1.64 C ATOM 718 CG2 ILE A 46 -5.044 -3.469 7.310 1.00 1.37 C ATOM 719 CD1 ILE A 46 -6.306 -1.722 5.361 1.00 1.71 C ATOM 0 H ILE A 46 -6.108 -1.778 10.400 1.00 1.72 H new ATOM 0 HA ILE A 46 -7.989 -3.266 8.536 1.00 1.51 H new ATOM 0 HB ILE A 46 -5.672 -1.577 8.083 1.00 1.34 H new ATOM 0 HG12 ILE A 46 -7.627 -3.155 6.298 1.00 1.64 H new ATOM 0 HG13 ILE A 46 -7.863 -1.507 6.846 1.00 1.64 H new ATOM 0 HG21 ILE A 46 -4.488 -3.033 6.480 1.00 1.37 H new ATOM 0 HG22 ILE A 46 -4.367 -3.651 8.145 1.00 1.37 H new ATOM 0 HG23 ILE A 46 -5.490 -4.412 6.992 1.00 1.37 H new ATOM 0 HD11 ILE A 46 -6.983 -1.542 4.526 1.00 1.71 H new ATOM 0 HD12 ILE A 46 -5.803 -0.792 5.628 1.00 1.71 H new ATOM 0 HD13 ILE A 46 -5.563 -2.466 5.072 1.00 1.71 H new ATOM 731 N LYS A 47 -6.585 -5.432 8.898 1.00 1.19 N ATOM 732 CA LYS A 47 -6.018 -6.704 9.439 1.00 1.10 C ATOM 733 C LYS A 47 -5.422 -7.532 8.302 1.00 0.87 C ATOM 734 O LYS A 47 -5.705 -7.272 7.149 1.00 0.93 O ATOM 735 CB LYS A 47 -7.140 -7.504 10.122 1.00 1.40 C ATOM 736 CG LYS A 47 -7.423 -6.930 11.518 1.00 2.73 C ATOM 737 CD LYS A 47 -6.300 -7.366 12.480 1.00 4.11 C ATOM 738 CE LYS A 47 -6.477 -6.676 13.831 1.00 5.73 C ATOM 739 NZ LYS A 47 -7.836 -6.958 14.387 1.00 6.62 N ATOM 0 H LYS A 47 -7.107 -5.523 8.027 1.00 1.19 H new ATOM 0 HA LYS A 47 -5.234 -6.474 10.161 1.00 1.10 H new ATOM 0 HB2 LYS A 47 -8.045 -7.467 9.515 1.00 1.40 H new ATOM 0 HB3 LYS A 47 -6.852 -8.552 10.203 1.00 1.40 H new ATOM 0 HG2 LYS A 47 -7.478 -5.842 11.473 1.00 2.73 H new ATOM 0 HG3 LYS A 47 -8.388 -7.284 11.881 1.00 2.73 H new ATOM 0 HD2 LYS A 47 -6.319 -8.448 12.609 1.00 4.11 H new ATOM 0 HD3 LYS A 47 -5.328 -7.113 12.057 1.00 4.11 H new ATOM 0 HE2 LYS A 47 -5.713 -7.024 14.527 1.00 5.73 H new ATOM 0 HE3 LYS A 47 -6.339 -5.601 13.718 1.00 5.73 H new ATOM 0 HZ1 LYS A 47 -7.862 -6.691 15.392 1.00 6.62 H new ATOM 0 HZ2 LYS A 47 -8.546 -6.408 13.863 1.00 6.62 H new ATOM 0 HZ3 LYS A 47 -8.046 -7.972 14.293 1.00 6.62 H new ATOM 753 N PRO A 48 -4.611 -8.513 8.654 1.00 0.81 N ATOM 754 CA PRO A 48 -4.372 -9.688 7.790 1.00 0.78 C ATOM 755 C PRO A 48 -5.669 -10.201 7.157 1.00 1.05 C ATOM 756 O PRO A 48 -6.750 -9.913 7.642 1.00 1.31 O ATOM 757 CB PRO A 48 -3.762 -10.715 8.742 1.00 0.87 C ATOM 758 CG PRO A 48 -3.070 -9.886 9.842 1.00 1.03 C ATOM 759 CD PRO A 48 -3.852 -8.565 9.935 1.00 1.12 C ATOM 0 HA PRO A 48 -3.723 -9.462 6.944 1.00 0.78 H new ATOM 0 HB2 PRO A 48 -4.529 -11.366 9.163 1.00 0.87 H new ATOM 0 HB3 PRO A 48 -3.048 -11.356 8.225 1.00 0.87 H new ATOM 0 HG2 PRO A 48 -3.083 -10.415 10.795 1.00 1.03 H new ATOM 0 HG3 PRO A 48 -2.025 -9.704 9.593 1.00 1.03 H new ATOM 0 HD2 PRO A 48 -4.520 -8.555 10.797 1.00 1.12 H new ATOM 0 HD3 PRO A 48 -3.184 -7.710 10.039 1.00 1.12 H new ATOM 767 N HIS A 49 -5.527 -10.949 6.092 1.00 1.28 N ATOM 768 CA HIS A 49 -6.723 -11.524 5.382 1.00 1.76 C ATOM 769 C HIS A 49 -7.539 -10.386 4.762 1.00 1.60 C ATOM 770 O HIS A 49 -8.753 -10.460 4.665 1.00 1.85 O ATOM 771 CB HIS A 49 -7.611 -12.303 6.372 1.00 2.29 C ATOM 772 CG HIS A 49 -6.829 -13.118 7.401 1.00 2.03 C ATOM 773 ND1 HIS A 49 -5.989 -14.048 7.042 1.00 2.14 N ATOM 774 CD2 HIS A 49 -6.799 -13.069 8.769 1.00 2.73 C ATOM 775 CE1 HIS A 49 -5.448 -14.565 8.122 1.00 2.50 C ATOM 776 NE2 HIS A 49 -5.947 -13.964 9.171 1.00 2.55 N ATOM 0 H HIS A 49 -4.628 -11.191 5.676 1.00 1.28 H new ATOM 0 HA HIS A 49 -6.378 -12.204 4.603 1.00 1.76 H new ATOM 0 HB2 HIS A 49 -8.257 -11.599 6.897 1.00 2.29 H new ATOM 0 HB3 HIS A 49 -8.261 -12.974 5.810 1.00 2.29 H new ATOM 0 HD2 HIS A 49 -7.377 -12.408 9.398 1.00 2.73 H new ATOM 0 HE1 HIS A 49 -4.713 -15.356 8.140 1.00 2.50 H new ATOM 0 HE2 HIS A 49 -5.707 -14.164 10.142 1.00 2.55 H new ATOM 784 N SER A 50 -6.830 -9.374 4.323 1.00 1.31 N ATOM 785 CA SER A 50 -7.505 -8.195 3.711 1.00 1.33 C ATOM 786 C SER A 50 -6.825 -7.806 2.392 1.00 1.18 C ATOM 787 O SER A 50 -5.682 -8.161 2.137 1.00 1.77 O ATOM 788 CB SER A 50 -7.440 -7.019 4.683 1.00 1.32 C ATOM 789 OG SER A 50 -8.078 -5.976 3.962 1.00 2.39 O ATOM 0 H SER A 50 -5.812 -9.317 4.364 1.00 1.31 H new ATOM 0 HA SER A 50 -8.544 -8.452 3.504 1.00 1.33 H new ATOM 0 HB2 SER A 50 -7.956 -7.238 5.618 1.00 1.32 H new ATOM 0 HB3 SER A 50 -6.412 -6.763 4.939 1.00 1.32 H new ATOM 0 HG SER A 50 -8.091 -5.162 4.507 1.00 2.39 H new ATOM 795 N THR A 51 -7.538 -7.072 1.578 1.00 1.21 N ATOM 796 CA THR A 51 -6.983 -6.637 0.264 1.00 1.15 C ATOM 797 C THR A 51 -7.613 -5.302 -0.166 1.00 1.38 C ATOM 798 O THR A 51 -8.825 -5.186 -0.152 1.00 1.73 O ATOM 799 CB THR A 51 -7.303 -7.721 -0.776 1.00 1.35 C ATOM 800 OG1 THR A 51 -8.656 -8.093 -0.536 1.00 2.17 O ATOM 801 CG2 THR A 51 -6.515 -9.012 -0.539 1.00 2.12 C ATOM 0 H THR A 51 -8.488 -6.754 1.770 1.00 1.21 H new ATOM 0 HA THR A 51 -5.905 -6.496 0.346 1.00 1.15 H new ATOM 0 HB THR A 51 -7.078 -7.326 -1.767 1.00 1.35 H new ATOM 0 HG1 THR A 51 -9.190 -7.290 -0.359 1.00 2.17 H new ATOM 0 HG21 THR A 51 -6.779 -9.745 -1.302 1.00 2.12 H new ATOM 0 HG22 THR A 51 -5.447 -8.801 -0.592 1.00 2.12 H new ATOM 0 HG23 THR A 51 -6.757 -9.411 0.446 1.00 2.12 H new ATOM 809 N VAL A 52 -6.797 -4.345 -0.558 1.00 1.39 N ATOM 810 CA VAL A 52 -7.339 -3.020 -0.995 1.00 1.78 C ATOM 811 C VAL A 52 -6.641 -2.523 -2.287 1.00 1.37 C ATOM 812 O VAL A 52 -5.636 -3.087 -2.712 1.00 1.31 O ATOM 813 CB VAL A 52 -7.126 -2.014 0.153 1.00 2.39 C ATOM 814 CG1 VAL A 52 -7.715 -2.574 1.446 1.00 3.26 C ATOM 815 CG2 VAL A 52 -5.643 -1.809 0.413 1.00 2.07 C ATOM 0 H VAL A 52 -5.781 -4.428 -0.593 1.00 1.39 H new ATOM 0 HA VAL A 52 -8.401 -3.118 -1.222 1.00 1.78 H new ATOM 0 HB VAL A 52 -7.604 -1.078 -0.136 1.00 2.39 H new ATOM 0 HG11 VAL A 52 -7.562 -1.860 2.255 1.00 3.26 H new ATOM 0 HG12 VAL A 52 -8.783 -2.749 1.314 1.00 3.26 H new ATOM 0 HG13 VAL A 52 -7.221 -3.514 1.694 1.00 3.26 H new ATOM 0 HG21 VAL A 52 -5.511 -1.096 1.227 1.00 2.07 H new ATOM 0 HG22 VAL A 52 -5.187 -2.760 0.687 1.00 2.07 H new ATOM 0 HG23 VAL A 52 -5.165 -1.424 -0.488 1.00 2.07 H new ATOM 825 N ASP A 53 -7.180 -1.468 -2.875 1.00 1.25 N ATOM 826 CA ASP A 53 -6.588 -0.887 -4.130 1.00 1.07 C ATOM 827 C ASP A 53 -6.398 0.622 -3.986 1.00 1.04 C ATOM 828 O ASP A 53 -6.986 1.245 -3.110 1.00 0.94 O ATOM 829 CB ASP A 53 -7.524 -1.117 -5.325 1.00 1.49 C ATOM 830 CG ASP A 53 -8.873 -0.434 -5.087 1.00 2.24 C ATOM 831 OD1 ASP A 53 -9.691 -1.076 -4.452 1.00 2.75 O ATOM 832 OD2 ASP A 53 -9.036 0.673 -5.577 1.00 3.64 O ATOM 0 H ASP A 53 -8.010 -0.984 -2.534 1.00 1.25 H new ATOM 0 HA ASP A 53 -5.630 -1.380 -4.294 1.00 1.07 H new ATOM 0 HB2 ASP A 53 -7.067 -0.726 -6.234 1.00 1.49 H new ATOM 0 HB3 ASP A 53 -7.673 -2.186 -5.478 1.00 1.49 H new ATOM 837 N PHE A 54 -5.604 1.182 -4.872 1.00 1.31 N ATOM 838 CA PHE A 54 -5.352 2.660 -4.835 1.00 1.41 C ATOM 839 C PHE A 54 -5.639 3.241 -6.227 1.00 1.71 C ATOM 840 O PHE A 54 -5.963 2.503 -7.139 1.00 2.22 O ATOM 841 CB PHE A 54 -3.879 2.954 -4.480 1.00 1.82 C ATOM 842 CG PHE A 54 -3.294 1.912 -3.509 1.00 1.26 C ATOM 843 CD1 PHE A 54 -4.025 1.418 -2.445 1.00 2.09 C ATOM 844 CD2 PHE A 54 -1.987 1.495 -3.662 1.00 1.70 C ATOM 845 CE1 PHE A 54 -3.461 0.529 -1.556 1.00 2.87 C ATOM 846 CE2 PHE A 54 -1.420 0.613 -2.767 1.00 2.35 C ATOM 847 CZ PHE A 54 -2.159 0.128 -1.714 1.00 2.84 C ATOM 0 H PHE A 54 -5.121 0.680 -5.617 1.00 1.31 H new ATOM 0 HA PHE A 54 -5.997 3.109 -4.080 1.00 1.41 H new ATOM 0 HB2 PHE A 54 -3.284 2.971 -5.393 1.00 1.82 H new ATOM 0 HB3 PHE A 54 -3.806 3.945 -4.033 1.00 1.82 H new ATOM 0 HD1 PHE A 54 -5.049 1.732 -2.309 1.00 2.09 H new ATOM 0 HD2 PHE A 54 -1.402 1.864 -4.492 1.00 1.70 H new ATOM 0 HE1 PHE A 54 -4.046 0.147 -0.732 1.00 2.87 H new ATOM 0 HE2 PHE A 54 -0.393 0.302 -2.893 1.00 2.35 H new ATOM 0 HZ PHE A 54 -1.716 -0.566 -1.014 1.00 2.84 H new ATOM 857 N ARG A 55 -5.466 4.535 -6.385 1.00 1.78 N ATOM 858 CA ARG A 55 -5.720 5.146 -7.732 1.00 2.24 C ATOM 859 C ARG A 55 -4.408 5.569 -8.379 1.00 2.31 C ATOM 860 O ARG A 55 -3.417 5.749 -7.695 1.00 2.35 O ATOM 861 CB ARG A 55 -6.576 6.394 -7.580 1.00 2.60 C ATOM 862 CG ARG A 55 -7.969 6.020 -7.087 1.00 3.71 C ATOM 863 CD ARG A 55 -8.735 7.314 -6.833 1.00 4.49 C ATOM 864 NE ARG A 55 -7.988 8.078 -5.795 1.00 4.77 N ATOM 865 CZ ARG A 55 -8.635 8.838 -4.987 1.00 5.94 C ATOM 866 NH1 ARG A 55 -9.093 8.303 -3.901 1.00 6.76 N ATOM 867 NH2 ARG A 55 -8.805 10.086 -5.310 1.00 6.67 N ATOM 0 H ARG A 55 -5.166 5.183 -5.656 1.00 1.78 H new ATOM 0 HA ARG A 55 -6.224 4.402 -8.349 1.00 2.24 H new ATOM 0 HB2 ARG A 55 -6.106 7.083 -6.878 1.00 2.60 H new ATOM 0 HB3 ARG A 55 -6.648 6.913 -8.536 1.00 2.60 H new ATOM 0 HG2 ARG A 55 -8.485 5.409 -7.828 1.00 3.71 H new ATOM 0 HG3 ARG A 55 -7.905 5.428 -6.174 1.00 3.71 H new ATOM 0 HD2 ARG A 55 -8.820 7.896 -7.751 1.00 4.49 H new ATOM 0 HD3 ARG A 55 -9.749 7.100 -6.496 1.00 4.49 H new ATOM 0 HE ARG A 55 -6.973 7.998 -5.727 1.00 4.77 H new ATOM 0 HH11 ARG A 55 -8.934 7.313 -3.714 1.00 6.76 H new ATOM 0 HH12 ARG A 55 -9.613 8.872 -3.232 1.00 6.76 H new ATOM 0 HH21 ARG A 55 -8.428 10.441 -6.189 1.00 6.67 H new ATOM 0 HH22 ARG A 55 -9.315 10.710 -4.685 1.00 6.67 H new ATOM 881 N VAL A 56 -4.441 5.704 -9.689 1.00 2.85 N ATOM 882 CA VAL A 56 -3.232 6.122 -10.446 1.00 3.27 C ATOM 883 C VAL A 56 -2.626 7.407 -9.866 1.00 2.07 C ATOM 884 O VAL A 56 -3.318 8.234 -9.300 1.00 2.66 O ATOM 885 CB VAL A 56 -3.609 6.343 -11.934 1.00 4.90 C ATOM 886 CG1 VAL A 56 -4.685 5.340 -12.384 1.00 6.73 C ATOM 887 CG2 VAL A 56 -4.143 7.765 -12.175 1.00 5.77 C ATOM 0 H VAL A 56 -5.268 5.538 -10.263 1.00 2.85 H new ATOM 0 HA VAL A 56 -2.485 5.333 -10.364 1.00 3.27 H new ATOM 0 HB VAL A 56 -2.697 6.195 -12.513 1.00 4.90 H new ATOM 0 HG11 VAL A 56 -4.932 5.516 -13.431 1.00 6.73 H new ATOM 0 HG12 VAL A 56 -4.308 4.324 -12.266 1.00 6.73 H new ATOM 0 HG13 VAL A 56 -5.579 5.468 -11.774 1.00 6.73 H new ATOM 0 HG21 VAL A 56 -4.397 7.885 -13.228 1.00 5.77 H new ATOM 0 HG22 VAL A 56 -5.032 7.928 -11.566 1.00 5.77 H new ATOM 0 HG23 VAL A 56 -3.378 8.492 -11.902 1.00 5.77 H new ATOM 897 N LYS A 57 -1.350 7.551 -10.084 1.00 1.97 N ATOM 898 CA LYS A 57 -0.606 8.734 -9.594 1.00 1.55 C ATOM 899 C LYS A 57 0.662 8.821 -10.450 1.00 1.63 C ATOM 900 O LYS A 57 0.914 7.894 -11.203 1.00 2.65 O ATOM 901 CB LYS A 57 -0.269 8.494 -8.118 1.00 2.65 C ATOM 902 CG LYS A 57 -0.006 9.816 -7.405 1.00 2.93 C ATOM 903 CD LYS A 57 -1.254 10.712 -7.448 1.00 2.93 C ATOM 904 CE LYS A 57 -1.180 11.728 -6.312 1.00 3.50 C ATOM 905 NZ LYS A 57 0.215 12.212 -6.150 1.00 3.97 N ATOM 0 H LYS A 57 -0.780 6.877 -10.596 1.00 1.97 H new ATOM 0 HA LYS A 57 -1.170 9.664 -9.670 1.00 1.55 H new ATOM 0 HB2 LYS A 57 -1.092 7.970 -7.632 1.00 2.65 H new ATOM 0 HB3 LYS A 57 0.608 7.852 -8.040 1.00 2.65 H new ATOM 0 HG2 LYS A 57 0.277 9.627 -6.369 1.00 2.93 H new ATOM 0 HG3 LYS A 57 0.833 10.329 -7.876 1.00 2.93 H new ATOM 0 HD2 LYS A 57 -1.315 11.225 -8.408 1.00 2.93 H new ATOM 0 HD3 LYS A 57 -2.155 10.106 -7.352 1.00 2.93 H new ATOM 0 HE2 LYS A 57 -1.843 12.568 -6.521 1.00 3.50 H new ATOM 0 HE3 LYS A 57 -1.525 11.273 -5.384 1.00 3.50 H new ATOM 0 HZ1 LYS A 57 0.246 12.940 -5.408 1.00 3.97 H new ATOM 0 HZ2 LYS A 57 0.829 11.417 -5.880 1.00 3.97 H new ATOM 0 HZ3 LYS A 57 0.548 12.618 -7.048 1.00 3.97 H new ATOM 919 N ALA A 58 1.412 9.897 -10.352 1.00 1.61 N ATOM 920 CA ALA A 58 2.661 10.008 -11.178 1.00 1.79 C ATOM 921 C ALA A 58 3.851 10.489 -10.335 1.00 1.96 C ATOM 922 O ALA A 58 4.770 9.752 -10.051 1.00 2.51 O ATOM 923 CB ALA A 58 2.405 10.997 -12.318 1.00 2.20 C ATOM 0 H ALA A 58 1.217 10.693 -9.745 1.00 1.61 H new ATOM 0 HA ALA A 58 2.910 9.023 -11.572 1.00 1.79 H new ATOM 0 HB1 ALA A 58 3.303 11.089 -12.928 1.00 2.20 H new ATOM 0 HB2 ALA A 58 1.583 10.636 -12.935 1.00 2.20 H new ATOM 0 HB3 ALA A 58 2.146 11.971 -11.903 1.00 2.20 H new ATOM 929 N GLU A 59 3.775 11.728 -9.964 1.00 2.17 N ATOM 930 CA GLU A 59 4.833 12.387 -9.142 1.00 2.48 C ATOM 931 C GLU A 59 5.485 11.432 -8.127 1.00 2.15 C ATOM 932 O GLU A 59 6.691 11.406 -7.986 1.00 2.61 O ATOM 933 CB GLU A 59 4.204 13.576 -8.385 1.00 2.94 C ATOM 934 CG GLU A 59 3.049 14.197 -9.203 1.00 3.23 C ATOM 935 CD GLU A 59 1.728 13.514 -8.810 1.00 3.55 C ATOM 936 OE1 GLU A 59 1.254 13.860 -7.741 1.00 4.31 O ATOM 937 OE2 GLU A 59 1.287 12.660 -9.566 1.00 3.95 O ATOM 0 H GLU A 59 2.995 12.340 -10.203 1.00 2.17 H new ATOM 0 HA GLU A 59 5.618 12.718 -9.822 1.00 2.48 H new ATOM 0 HB2 GLU A 59 3.831 13.241 -7.417 1.00 2.94 H new ATOM 0 HB3 GLU A 59 4.965 14.332 -8.189 1.00 2.94 H new ATOM 0 HG2 GLU A 59 2.989 15.269 -9.014 1.00 3.23 H new ATOM 0 HG3 GLU A 59 3.234 14.071 -10.270 1.00 3.23 H new ATOM 944 N ASP A 60 4.668 10.671 -7.444 1.00 1.92 N ATOM 945 CA ASP A 60 5.206 9.739 -6.403 1.00 2.19 C ATOM 946 C ASP A 60 5.190 8.243 -6.809 1.00 1.78 C ATOM 947 O ASP A 60 5.232 7.359 -5.964 1.00 2.24 O ATOM 948 CB ASP A 60 4.407 9.984 -5.094 1.00 2.91 C ATOM 949 CG ASP A 60 2.877 9.996 -5.280 1.00 3.90 C ATOM 950 OD1 ASP A 60 2.412 10.690 -6.190 1.00 4.26 O ATOM 951 OD2 ASP A 60 2.245 9.364 -4.441 1.00 5.04 O ATOM 0 H ASP A 60 3.655 10.653 -7.560 1.00 1.92 H new ATOM 0 HA ASP A 60 6.264 9.960 -6.266 1.00 2.19 H new ATOM 0 HB2 ASP A 60 4.668 9.210 -4.372 1.00 2.91 H new ATOM 0 HB3 ASP A 60 4.717 10.937 -4.665 1.00 2.91 H new ATOM 956 N ILE A 61 5.198 7.963 -8.083 1.00 1.29 N ATOM 957 CA ILE A 61 5.217 6.521 -8.503 1.00 1.15 C ATOM 958 C ILE A 61 6.543 5.924 -8.042 1.00 1.15 C ATOM 959 O ILE A 61 6.582 4.865 -7.453 1.00 1.54 O ATOM 960 CB ILE A 61 5.113 6.387 -10.038 1.00 1.46 C ATOM 961 CG1 ILE A 61 3.687 6.728 -10.485 1.00 1.70 C ATOM 962 CG2 ILE A 61 5.433 4.940 -10.469 1.00 2.03 C ATOM 963 CD1 ILE A 61 3.598 6.662 -12.023 1.00 2.61 C ATOM 0 H ILE A 61 5.192 8.647 -8.840 1.00 1.29 H new ATOM 0 HA ILE A 61 4.367 6.002 -8.059 1.00 1.15 H new ATOM 0 HB ILE A 61 5.826 7.071 -10.498 1.00 1.46 H new ATOM 0 HG12 ILE A 61 2.978 6.030 -10.039 1.00 1.70 H new ATOM 0 HG13 ILE A 61 3.414 7.724 -10.137 1.00 1.70 H new ATOM 0 HG21 ILE A 61 5.356 4.858 -11.553 1.00 2.03 H new ATOM 0 HG22 ILE A 61 6.445 4.683 -10.156 1.00 2.03 H new ATOM 0 HG23 ILE A 61 4.724 4.256 -10.002 1.00 2.03 H new ATOM 0 HD11 ILE A 61 2.584 6.905 -12.339 1.00 2.61 H new ATOM 0 HD12 ILE A 61 4.295 7.378 -12.459 1.00 2.61 H new ATOM 0 HD13 ILE A 61 3.852 5.657 -12.359 1.00 2.61 H new ATOM 975 N LEU A 62 7.599 6.665 -8.261 1.00 1.55 N ATOM 976 CA LEU A 62 8.956 6.176 -7.879 1.00 1.71 C ATOM 977 C LEU A 62 9.231 6.353 -6.385 1.00 1.93 C ATOM 978 O LEU A 62 10.312 6.730 -5.975 1.00 3.32 O ATOM 979 CB LEU A 62 9.976 6.973 -8.689 1.00 1.69 C ATOM 980 CG LEU A 62 9.821 6.629 -10.177 1.00 2.00 C ATOM 981 CD1 LEU A 62 10.421 7.759 -11.023 1.00 3.04 C ATOM 982 CD2 LEU A 62 10.574 5.322 -10.462 1.00 2.79 C ATOM 0 H LEU A 62 7.579 7.590 -8.689 1.00 1.55 H new ATOM 0 HA LEU A 62 9.024 5.109 -8.090 1.00 1.71 H new ATOM 0 HB2 LEU A 62 9.827 8.041 -8.533 1.00 1.69 H new ATOM 0 HB3 LEU A 62 10.987 6.740 -8.353 1.00 1.69 H new ATOM 0 HG LEU A 62 8.766 6.512 -10.426 1.00 2.00 H new ATOM 0 HD11 LEU A 62 10.313 7.518 -12.081 1.00 3.04 H new ATOM 0 HD12 LEU A 62 9.899 8.691 -10.808 1.00 3.04 H new ATOM 0 HD13 LEU A 62 11.478 7.871 -10.783 1.00 3.04 H new ATOM 0 HD21 LEU A 62 10.472 5.066 -11.517 1.00 2.79 H new ATOM 0 HD22 LEU A 62 11.629 5.450 -10.220 1.00 2.79 H new ATOM 0 HD23 LEU A 62 10.156 4.521 -9.852 1.00 2.79 H new ATOM 994 N ALA A 63 8.193 6.156 -5.630 1.00 1.30 N ATOM 995 CA ALA A 63 8.254 6.247 -4.166 1.00 1.43 C ATOM 996 C ALA A 63 7.450 5.084 -3.614 1.00 1.23 C ATOM 997 O ALA A 63 7.890 4.325 -2.771 1.00 1.33 O ATOM 998 CB ALA A 63 7.595 7.558 -3.797 1.00 1.65 C ATOM 0 H ALA A 63 7.268 5.926 -5.993 1.00 1.30 H new ATOM 0 HA ALA A 63 9.270 6.208 -3.773 1.00 1.43 H new ATOM 0 HB1 ALA A 63 7.611 7.681 -2.714 1.00 1.65 H new ATOM 0 HB2 ALA A 63 8.136 8.381 -4.264 1.00 1.65 H new ATOM 0 HB3 ALA A 63 6.563 7.558 -4.147 1.00 1.65 H new ATOM 1004 N VAL A 64 6.262 5.004 -4.136 1.00 1.17 N ATOM 1005 CA VAL A 64 5.341 3.924 -3.735 1.00 1.00 C ATOM 1006 C VAL A 64 5.806 2.646 -4.419 1.00 0.79 C ATOM 1007 O VAL A 64 5.909 1.617 -3.776 1.00 0.77 O ATOM 1008 CB VAL A 64 3.922 4.311 -4.190 1.00 1.06 C ATOM 1009 CG1 VAL A 64 2.944 3.141 -3.996 1.00 1.00 C ATOM 1010 CG2 VAL A 64 3.444 5.525 -3.380 1.00 1.54 C ATOM 0 H VAL A 64 5.890 5.651 -4.831 1.00 1.17 H new ATOM 0 HA VAL A 64 5.332 3.771 -2.656 1.00 1.00 H new ATOM 0 HB VAL A 64 3.951 4.559 -5.251 1.00 1.06 H new ATOM 0 HG11 VAL A 64 1.949 3.440 -4.325 1.00 1.00 H new ATOM 0 HG12 VAL A 64 3.278 2.286 -4.583 1.00 1.00 H new ATOM 0 HG13 VAL A 64 2.910 2.866 -2.942 1.00 1.00 H new ATOM 0 HG21 VAL A 64 2.439 5.803 -3.699 1.00 1.54 H new ATOM 0 HG22 VAL A 64 3.431 5.273 -2.320 1.00 1.54 H new ATOM 0 HG23 VAL A 64 4.122 6.363 -3.546 1.00 1.54 H new ATOM 1020 N GLU A 65 6.080 2.741 -5.703 1.00 0.82 N ATOM 1021 CA GLU A 65 6.555 1.526 -6.416 1.00 0.84 C ATOM 1022 C GLU A 65 7.917 1.162 -5.809 1.00 0.85 C ATOM 1023 O GLU A 65 8.202 0.005 -5.590 1.00 0.93 O ATOM 1024 CB GLU A 65 6.676 1.798 -7.930 1.00 1.01 C ATOM 1025 CG GLU A 65 5.281 1.865 -8.598 1.00 1.23 C ATOM 1026 CD GLU A 65 5.410 1.764 -10.138 1.00 1.46 C ATOM 1027 OE1 GLU A 65 6.529 1.815 -10.612 1.00 2.49 O ATOM 1028 OE2 GLU A 65 4.373 1.655 -10.780 1.00 2.20 O ATOM 0 H GLU A 65 5.996 3.586 -6.268 1.00 0.82 H new ATOM 0 HA GLU A 65 5.851 0.702 -6.300 1.00 0.84 H new ATOM 0 HB2 GLU A 65 7.206 2.737 -8.093 1.00 1.01 H new ATOM 0 HB3 GLU A 65 7.269 1.012 -8.398 1.00 1.01 H new ATOM 0 HG2 GLU A 65 4.654 1.055 -8.226 1.00 1.23 H new ATOM 0 HG3 GLU A 65 4.787 2.799 -8.329 1.00 1.23 H new ATOM 1035 N ASP A 66 8.693 2.177 -5.497 1.00 0.97 N ATOM 1036 CA ASP A 66 10.036 1.939 -4.890 1.00 1.01 C ATOM 1037 C ASP A 66 9.847 1.259 -3.524 1.00 0.88 C ATOM 1038 O ASP A 66 10.229 0.125 -3.321 1.00 0.86 O ATOM 1039 CB ASP A 66 10.721 3.309 -4.721 1.00 1.12 C ATOM 1040 CG ASP A 66 12.148 3.178 -4.172 1.00 1.53 C ATOM 1041 OD1 ASP A 66 12.665 2.077 -4.198 1.00 2.08 O ATOM 1042 OD2 ASP A 66 12.644 4.197 -3.726 1.00 2.61 O ATOM 0 H ASP A 66 8.450 3.158 -5.638 1.00 0.97 H new ATOM 0 HA ASP A 66 10.650 1.295 -5.519 1.00 1.01 H new ATOM 0 HB2 ASP A 66 10.749 3.821 -5.683 1.00 1.12 H new ATOM 0 HB3 ASP A 66 10.129 3.929 -4.047 1.00 1.12 H new ATOM 1047 N PHE A 67 9.246 1.993 -2.629 1.00 0.86 N ATOM 1048 CA PHE A 67 8.969 1.485 -1.246 1.00 0.85 C ATOM 1049 C PHE A 67 8.449 0.046 -1.261 1.00 0.82 C ATOM 1050 O PHE A 67 9.027 -0.851 -0.669 1.00 0.95 O ATOM 1051 CB PHE A 67 7.899 2.378 -0.614 1.00 0.90 C ATOM 1052 CG PHE A 67 7.651 1.919 0.829 1.00 0.92 C ATOM 1053 CD1 PHE A 67 6.751 0.900 1.094 1.00 0.95 C ATOM 1054 CD2 PHE A 67 8.351 2.484 1.876 1.00 1.07 C ATOM 1055 CE1 PHE A 67 6.556 0.456 2.385 1.00 1.04 C ATOM 1056 CE2 PHE A 67 8.155 2.036 3.168 1.00 1.10 C ATOM 1057 CZ PHE A 67 7.258 1.023 3.422 1.00 1.04 C ATOM 0 H PHE A 67 8.926 2.947 -2.798 1.00 0.86 H new ATOM 0 HA PHE A 67 9.900 1.505 -0.680 1.00 0.85 H new ATOM 0 HB2 PHE A 67 8.222 3.419 -0.627 1.00 0.90 H new ATOM 0 HB3 PHE A 67 6.975 2.323 -1.190 1.00 0.90 H new ATOM 0 HD1 PHE A 67 6.198 0.450 0.283 1.00 0.95 H new ATOM 0 HD2 PHE A 67 9.055 3.280 1.684 1.00 1.07 H new ATOM 0 HE1 PHE A 67 5.851 -0.338 2.582 1.00 1.04 H new ATOM 0 HE2 PHE A 67 8.707 2.482 3.982 1.00 1.10 H new ATOM 0 HZ PHE A 67 7.106 0.675 4.433 1.00 1.04 H new ATOM 1067 N LEU A 68 7.346 -0.123 -1.935 1.00 0.88 N ATOM 1068 CA LEU A 68 6.724 -1.466 -2.014 1.00 0.90 C ATOM 1069 C LEU A 68 7.707 -2.497 -2.555 1.00 0.89 C ATOM 1070 O LEU A 68 7.629 -3.657 -2.186 1.00 1.02 O ATOM 1071 CB LEU A 68 5.497 -1.373 -2.920 1.00 1.06 C ATOM 1072 CG LEU A 68 4.469 -0.394 -2.319 1.00 1.22 C ATOM 1073 CD1 LEU A 68 3.347 -0.173 -3.338 1.00 1.41 C ATOM 1074 CD2 LEU A 68 3.872 -0.976 -1.031 1.00 1.27 C ATOM 0 H LEU A 68 6.850 0.615 -2.434 1.00 0.88 H new ATOM 0 HA LEU A 68 6.432 -1.790 -1.015 1.00 0.90 H new ATOM 0 HB2 LEU A 68 5.793 -1.037 -3.914 1.00 1.06 H new ATOM 0 HB3 LEU A 68 5.047 -2.359 -3.038 1.00 1.06 H new ATOM 0 HG LEU A 68 4.962 0.550 -2.085 1.00 1.22 H new ATOM 0 HD11 LEU A 68 2.612 0.518 -2.926 1.00 1.41 H new ATOM 0 HD12 LEU A 68 3.765 0.245 -4.254 1.00 1.41 H new ATOM 0 HD13 LEU A 68 2.865 -1.125 -3.561 1.00 1.41 H new ATOM 0 HD21 LEU A 68 3.148 -0.275 -0.617 1.00 1.27 H new ATOM 0 HD22 LEU A 68 3.376 -1.921 -1.254 1.00 1.27 H new ATOM 0 HD23 LEU A 68 4.668 -1.147 -0.306 1.00 1.27 H new ATOM 1086 N GLU A 69 8.602 -2.065 -3.404 1.00 0.99 N ATOM 1087 CA GLU A 69 9.588 -3.024 -3.975 1.00 1.02 C ATOM 1088 C GLU A 69 10.690 -3.292 -2.946 1.00 1.01 C ATOM 1089 O GLU A 69 10.894 -4.425 -2.542 1.00 1.06 O ATOM 1090 CB GLU A 69 10.158 -2.392 -5.250 1.00 1.16 C ATOM 1091 CG GLU A 69 10.711 -3.464 -6.194 1.00 1.40 C ATOM 1092 CD GLU A 69 10.591 -2.954 -7.634 1.00 2.12 C ATOM 1093 OE1 GLU A 69 9.529 -3.190 -8.197 1.00 2.86 O ATOM 1094 OE2 GLU A 69 11.548 -2.341 -8.072 1.00 3.21 O ATOM 0 H GLU A 69 8.692 -1.100 -3.723 1.00 0.99 H new ATOM 0 HA GLU A 69 9.123 -3.979 -4.217 1.00 1.02 H new ATOM 0 HB2 GLU A 69 9.379 -1.822 -5.757 1.00 1.16 H new ATOM 0 HB3 GLU A 69 10.949 -1.689 -4.989 1.00 1.16 H new ATOM 0 HG2 GLU A 69 11.752 -3.679 -5.954 1.00 1.40 H new ATOM 0 HG3 GLU A 69 10.158 -4.395 -6.075 1.00 1.40 H new ATOM 1101 N GLN A 70 11.360 -2.237 -2.546 1.00 1.04 N ATOM 1102 CA GLN A 70 12.463 -2.342 -1.536 1.00 1.15 C ATOM 1103 C GLN A 70 12.203 -3.416 -0.468 1.00 1.12 C ATOM 1104 O GLN A 70 13.066 -4.227 -0.199 1.00 1.23 O ATOM 1105 CB GLN A 70 12.635 -0.993 -0.821 1.00 1.31 C ATOM 1106 CG GLN A 70 13.285 0.042 -1.753 1.00 1.63 C ATOM 1107 CD GLN A 70 13.575 1.325 -0.956 1.00 2.42 C ATOM 1108 OE1 GLN A 70 14.152 1.287 0.110 1.00 2.91 O ATOM 1109 NE2 GLN A 70 13.212 2.478 -1.425 1.00 2.92 N ATOM 0 H GLN A 70 11.186 -1.290 -2.883 1.00 1.04 H new ATOM 0 HA GLN A 70 13.360 -2.624 -2.087 1.00 1.15 H new ATOM 0 HB2 GLN A 70 11.664 -0.628 -0.486 1.00 1.31 H new ATOM 0 HB3 GLN A 70 13.250 -1.124 0.069 1.00 1.31 H new ATOM 0 HG2 GLN A 70 14.209 -0.357 -2.172 1.00 1.63 H new ATOM 0 HG3 GLN A 70 12.623 0.261 -2.591 1.00 1.63 H new ATOM 0 HE21 GLN A 70 12.725 2.534 -2.320 1.00 2.92 H new ATOM 0 HE22 GLN A 70 13.413 3.329 -0.899 1.00 2.92 H new ATOM 1118 N ASN A 71 11.025 -3.403 0.103 1.00 1.09 N ATOM 1119 CA ASN A 71 10.705 -4.396 1.177 1.00 1.15 C ATOM 1120 C ASN A 71 9.811 -5.534 0.666 1.00 1.08 C ATOM 1121 O ASN A 71 8.916 -5.959 1.372 1.00 1.19 O ATOM 1122 CB ASN A 71 9.997 -3.653 2.321 1.00 1.23 C ATOM 1123 CG ASN A 71 8.969 -2.701 1.728 1.00 1.56 C ATOM 1124 OD1 ASN A 71 8.199 -3.066 0.866 1.00 3.17 O ATOM 1125 ND2 ASN A 71 8.941 -1.465 2.117 1.00 1.32 N ATOM 0 H ASN A 71 10.274 -2.752 -0.125 1.00 1.09 H new ATOM 0 HA ASN A 71 11.635 -4.850 1.520 1.00 1.15 H new ATOM 0 HB2 ASN A 71 9.511 -4.364 2.989 1.00 1.23 H new ATOM 0 HB3 ASN A 71 10.723 -3.100 2.918 1.00 1.23 H new ATOM 0 HD21 ASN A 71 8.277 -0.814 1.699 1.00 1.32 H new ATOM 0 HD22 ASN A 71 9.583 -1.144 2.842 1.00 1.32 H new ATOM 1132 N GLU A 72 10.102 -6.024 -0.524 1.00 1.22 N ATOM 1133 CA GLU A 72 9.303 -7.157 -1.124 1.00 1.30 C ATOM 1134 C GLU A 72 7.873 -7.226 -0.557 1.00 1.13 C ATOM 1135 O GLU A 72 7.400 -8.271 -0.139 1.00 1.38 O ATOM 1136 CB GLU A 72 10.031 -8.483 -0.821 1.00 1.63 C ATOM 1137 CG GLU A 72 10.251 -8.630 0.699 1.00 3.55 C ATOM 1138 CD GLU A 72 10.816 -10.015 1.012 1.00 4.61 C ATOM 1139 OE1 GLU A 72 11.947 -10.238 0.622 1.00 5.05 O ATOM 1140 OE2 GLU A 72 10.079 -10.778 1.616 1.00 5.51 O ATOM 0 H GLU A 72 10.865 -5.686 -1.111 1.00 1.22 H new ATOM 0 HA GLU A 72 9.223 -6.985 -2.197 1.00 1.30 H new ATOM 0 HB2 GLU A 72 9.445 -9.323 -1.195 1.00 1.63 H new ATOM 0 HB3 GLU A 72 10.990 -8.508 -1.339 1.00 1.63 H new ATOM 0 HG2 GLU A 72 10.937 -7.860 1.052 1.00 3.55 H new ATOM 0 HG3 GLU A 72 9.309 -8.484 1.227 1.00 3.55 H new ATOM 1147 N LEU A 73 7.200 -6.108 -0.563 1.00 0.97 N ATOM 1148 CA LEU A 73 5.824 -6.112 -0.010 1.00 0.88 C ATOM 1149 C LEU A 73 4.880 -6.778 -0.998 1.00 1.03 C ATOM 1150 O LEU A 73 5.213 -6.942 -2.159 1.00 2.18 O ATOM 1151 CB LEU A 73 5.378 -4.668 0.266 1.00 0.84 C ATOM 1152 CG LEU A 73 4.785 -4.603 1.680 1.00 1.07 C ATOM 1153 CD1 LEU A 73 5.930 -4.689 2.703 1.00 1.83 C ATOM 1154 CD2 LEU A 73 4.014 -3.287 1.852 1.00 1.64 C ATOM 0 H LEU A 73 7.536 -5.213 -0.919 1.00 0.97 H new ATOM 0 HA LEU A 73 5.806 -6.672 0.925 1.00 0.88 H new ATOM 0 HB2 LEU A 73 6.225 -3.987 0.179 1.00 0.84 H new ATOM 0 HB3 LEU A 73 4.638 -4.353 -0.470 1.00 0.84 H new ATOM 0 HG LEU A 73 4.097 -5.434 1.838 1.00 1.07 H new ATOM 0 HD11 LEU A 73 5.520 -4.644 3.712 1.00 1.83 H new ATOM 0 HD12 LEU A 73 6.466 -5.629 2.571 1.00 1.83 H new ATOM 0 HD13 LEU A 73 6.616 -3.856 2.552 1.00 1.83 H new ATOM 0 HD21 LEU A 73 3.593 -3.241 2.856 1.00 1.64 H new ATOM 0 HD22 LEU A 73 4.692 -2.446 1.704 1.00 1.64 H new ATOM 0 HD23 LEU A 73 3.209 -3.238 1.118 1.00 1.64 H new ATOM 1166 N GLN A 74 3.708 -7.121 -0.532 1.00 1.00 N ATOM 1167 CA GLN A 74 2.730 -7.794 -1.432 1.00 1.14 C ATOM 1168 C GLN A 74 1.974 -6.756 -2.251 1.00 1.15 C ATOM 1169 O GLN A 74 0.774 -6.579 -2.098 1.00 1.30 O ATOM 1170 CB GLN A 74 1.735 -8.622 -0.592 1.00 1.42 C ATOM 1171 CG GLN A 74 2.356 -9.948 -0.107 1.00 1.67 C ATOM 1172 CD GLN A 74 3.871 -9.827 0.080 1.00 2.45 C ATOM 1173 OE1 GLN A 74 4.629 -10.130 -0.820 1.00 3.31 O ATOM 1174 NE2 GLN A 74 4.362 -9.374 1.201 1.00 3.59 N ATOM 0 H GLN A 74 3.389 -6.966 0.424 1.00 1.00 H new ATOM 0 HA GLN A 74 3.268 -8.456 -2.110 1.00 1.14 H new ATOM 0 HB2 GLN A 74 1.411 -8.037 0.269 1.00 1.42 H new ATOM 0 HB3 GLN A 74 0.846 -8.833 -1.186 1.00 1.42 H new ATOM 0 HG2 GLN A 74 1.895 -10.243 0.836 1.00 1.67 H new ATOM 0 HG3 GLN A 74 2.140 -10.737 -0.828 1.00 1.67 H new ATOM 0 HE21 GLN A 74 3.737 -9.116 1.964 1.00 3.59 H new ATOM 0 HE22 GLN A 74 5.371 -9.278 1.314 1.00 3.59 H new ATOM 1183 N TYR A 75 2.697 -6.077 -3.099 1.00 1.39 N ATOM 1184 CA TYR A 75 2.036 -5.057 -3.955 1.00 1.56 C ATOM 1185 C TYR A 75 1.829 -5.654 -5.342 1.00 1.61 C ATOM 1186 O TYR A 75 2.456 -6.632 -5.703 1.00 1.51 O ATOM 1187 CB TYR A 75 2.890 -3.773 -4.056 1.00 1.67 C ATOM 1188 CG TYR A 75 4.248 -4.035 -4.738 1.00 1.68 C ATOM 1189 CD1 TYR A 75 5.291 -4.601 -4.037 1.00 1.61 C ATOM 1190 CD2 TYR A 75 4.452 -3.694 -6.064 1.00 1.93 C ATOM 1191 CE1 TYR A 75 6.509 -4.825 -4.641 1.00 1.78 C ATOM 1192 CE2 TYR A 75 5.678 -3.917 -6.669 1.00 2.07 C ATOM 1193 CZ TYR A 75 6.715 -4.488 -5.960 1.00 1.99 C ATOM 1194 OH TYR A 75 7.930 -4.748 -6.560 1.00 2.24 O ATOM 0 H TYR A 75 3.702 -6.183 -3.234 1.00 1.39 H new ATOM 0 HA TYR A 75 1.079 -4.783 -3.511 1.00 1.56 H new ATOM 0 HB2 TYR A 75 2.342 -3.016 -4.618 1.00 1.67 H new ATOM 0 HB3 TYR A 75 3.058 -3.369 -3.057 1.00 1.67 H new ATOM 0 HD1 TYR A 75 5.152 -4.872 -3.001 1.00 1.61 H new ATOM 0 HD2 TYR A 75 3.648 -3.250 -6.632 1.00 1.93 H new ATOM 0 HE1 TYR A 75 7.312 -5.270 -4.073 1.00 1.78 H new ATOM 0 HE2 TYR A 75 5.823 -3.642 -7.703 1.00 2.07 H new ATOM 0 HH TYR A 75 8.214 -3.965 -7.077 1.00 2.24 H new ATOM 1204 N GLU A 76 0.925 -5.073 -6.067 1.00 1.83 N ATOM 1205 CA GLU A 76 0.629 -5.554 -7.440 1.00 1.97 C ATOM 1206 C GLU A 76 0.076 -4.358 -8.246 1.00 2.03 C ATOM 1207 O GLU A 76 -0.270 -3.332 -7.664 1.00 2.21 O ATOM 1208 CB GLU A 76 -0.369 -6.720 -7.286 1.00 1.98 C ATOM 1209 CG GLU A 76 -0.819 -7.312 -8.641 1.00 2.42 C ATOM 1210 CD GLU A 76 -2.288 -6.965 -8.913 1.00 3.28 C ATOM 1211 OE1 GLU A 76 -2.696 -5.916 -8.460 1.00 4.30 O ATOM 1212 OE2 GLU A 76 -2.935 -7.778 -9.540 1.00 3.75 O ATOM 0 H GLU A 76 0.369 -4.273 -5.764 1.00 1.83 H new ATOM 0 HA GLU A 76 1.499 -5.924 -7.983 1.00 1.97 H new ATOM 0 HB2 GLU A 76 0.089 -7.506 -6.686 1.00 1.98 H new ATOM 0 HB3 GLU A 76 -1.245 -6.371 -6.739 1.00 1.98 H new ATOM 0 HG2 GLU A 76 -0.192 -6.921 -9.442 1.00 2.42 H new ATOM 0 HG3 GLU A 76 -0.689 -8.394 -8.634 1.00 2.42 H new ATOM 1219 N VAL A 77 0.022 -4.510 -9.546 1.00 1.99 N ATOM 1220 CA VAL A 77 -0.484 -3.420 -10.441 1.00 2.12 C ATOM 1221 C VAL A 77 -1.726 -3.944 -11.189 1.00 2.27 C ATOM 1222 O VAL A 77 -1.720 -4.085 -12.396 1.00 2.87 O ATOM 1223 CB VAL A 77 0.628 -3.033 -11.440 1.00 2.16 C ATOM 1224 CG1 VAL A 77 0.222 -1.763 -12.200 1.00 2.46 C ATOM 1225 CG2 VAL A 77 1.948 -2.772 -10.696 1.00 2.43 C ATOM 0 H VAL A 77 0.312 -5.357 -10.034 1.00 1.99 H new ATOM 0 HA VAL A 77 -0.757 -2.537 -9.863 1.00 2.12 H new ATOM 0 HB VAL A 77 0.767 -3.856 -12.141 1.00 2.16 H new ATOM 0 HG11 VAL A 77 1.009 -1.493 -12.904 1.00 2.46 H new ATOM 0 HG12 VAL A 77 -0.705 -1.945 -12.744 1.00 2.46 H new ATOM 0 HG13 VAL A 77 0.073 -0.948 -11.492 1.00 2.46 H new ATOM 0 HG21 VAL A 77 2.722 -2.500 -11.413 1.00 2.43 H new ATOM 0 HG22 VAL A 77 1.810 -1.957 -9.985 1.00 2.43 H new ATOM 0 HG23 VAL A 77 2.249 -3.673 -10.161 1.00 2.43 H new ATOM 1235 N LEU A 78 -2.726 -4.264 -10.406 1.00 2.40 N ATOM 1236 CA LEU A 78 -4.041 -4.811 -10.888 1.00 2.75 C ATOM 1237 C LEU A 78 -4.132 -5.152 -12.373 1.00 2.71 C ATOM 1238 O LEU A 78 -4.258 -6.306 -12.718 1.00 3.15 O ATOM 1239 CB LEU A 78 -5.137 -3.801 -10.538 1.00 3.16 C ATOM 1240 CG LEU A 78 -5.403 -3.837 -9.026 1.00 3.41 C ATOM 1241 CD1 LEU A 78 -6.259 -2.631 -8.642 1.00 3.98 C ATOM 1242 CD2 LEU A 78 -6.156 -5.127 -8.655 1.00 3.61 C ATOM 0 H LEU A 78 -2.683 -4.163 -9.392 1.00 2.40 H new ATOM 0 HA LEU A 78 -4.160 -5.769 -10.381 1.00 2.75 H new ATOM 0 HB2 LEU A 78 -4.833 -2.799 -10.841 1.00 3.16 H new ATOM 0 HB3 LEU A 78 -6.051 -4.036 -11.084 1.00 3.16 H new ATOM 0 HG LEU A 78 -4.453 -3.809 -8.492 1.00 3.41 H new ATOM 0 HD11 LEU A 78 -6.453 -2.649 -7.569 1.00 3.98 H new ATOM 0 HD12 LEU A 78 -5.731 -1.713 -8.900 1.00 3.98 H new ATOM 0 HD13 LEU A 78 -7.205 -2.669 -9.182 1.00 3.98 H new ATOM 0 HD21 LEU A 78 -6.341 -5.144 -7.581 1.00 3.61 H new ATOM 0 HD22 LEU A 78 -7.107 -5.159 -9.187 1.00 3.61 H new ATOM 0 HD23 LEU A 78 -5.555 -5.992 -8.934 1.00 3.61 H new ATOM 1254 N ILE A 79 -4.065 -4.179 -13.225 1.00 3.24 N ATOM 1255 CA ILE A 79 -4.181 -4.483 -14.663 1.00 3.56 C ATOM 1256 C ILE A 79 -2.811 -4.806 -15.280 1.00 4.33 C ATOM 1257 O ILE A 79 -2.525 -4.431 -16.400 1.00 5.23 O ATOM 1258 CB ILE A 79 -4.807 -3.249 -15.313 1.00 4.83 C ATOM 1259 CG1 ILE A 79 -4.014 -1.980 -14.941 1.00 5.71 C ATOM 1260 CG2 ILE A 79 -6.260 -3.118 -14.824 1.00 5.84 C ATOM 1261 CD1 ILE A 79 -4.383 -0.845 -15.900 1.00 7.15 C ATOM 0 H ILE A 79 -3.936 -3.195 -12.989 1.00 3.24 H new ATOM 0 HA ILE A 79 -4.798 -5.367 -14.827 1.00 3.56 H new ATOM 0 HB ILE A 79 -4.784 -3.360 -16.397 1.00 4.83 H new ATOM 0 HG12 ILE A 79 -4.235 -1.689 -13.914 1.00 5.71 H new ATOM 0 HG13 ILE A 79 -2.944 -2.180 -14.992 1.00 5.71 H new ATOM 0 HG21 ILE A 79 -6.720 -2.241 -15.280 1.00 5.84 H new ATOM 0 HG22 ILE A 79 -6.820 -4.009 -15.106 1.00 5.84 H new ATOM 0 HG23 ILE A 79 -6.271 -3.011 -13.739 1.00 5.84 H new ATOM 0 HD11 ILE A 79 -3.822 0.051 -15.636 1.00 7.15 H new ATOM 0 HD12 ILE A 79 -4.139 -1.138 -16.921 1.00 7.15 H new ATOM 0 HD13 ILE A 79 -5.451 -0.639 -15.826 1.00 7.15 H new ATOM 1273 N ASN A 80 -2.008 -5.537 -14.552 1.00 4.91 N ATOM 1274 CA ASN A 80 -0.649 -5.898 -15.069 1.00 6.54 C ATOM 1275 C ASN A 80 -0.428 -7.402 -14.913 1.00 7.66 C ATOM 1276 O ASN A 80 -0.004 -7.852 -13.864 1.00 8.79 O ATOM 1277 CB ASN A 80 0.398 -5.122 -14.261 1.00 7.76 C ATOM 1278 CG ASN A 80 1.793 -5.182 -14.902 1.00 8.89 C ATOM 1279 OD1 ASN A 80 2.676 -4.435 -14.525 1.00 10.03 O ATOM 1280 ND2 ASN A 80 2.057 -6.039 -15.849 1.00 9.01 N ATOM 0 H ASN A 80 -2.231 -5.900 -13.625 1.00 4.91 H new ATOM 0 HA ASN A 80 -0.563 -5.641 -16.125 1.00 6.54 H new ATOM 0 HB2 ASN A 80 0.086 -4.081 -14.172 1.00 7.76 H new ATOM 0 HB3 ASN A 80 0.447 -5.528 -13.251 1.00 7.76 H new ATOM 0 HD21 ASN A 80 2.990 -6.074 -16.259 1.00 9.01 H new ATOM 0 HD22 ASN A 80 1.330 -6.674 -16.179 1.00 9.01 H new ATOM 1287 N ASN A 81 -0.726 -8.139 -15.950 1.00 7.93 N ATOM 1288 CA ASN A 81 -0.546 -9.617 -15.888 1.00 9.62 C ATOM 1289 C ASN A 81 0.345 -10.082 -17.044 1.00 10.67 C ATOM 1290 O ASN A 81 0.689 -9.222 -17.841 1.00 10.88 O ATOM 1291 CB ASN A 81 -1.921 -10.288 -15.993 1.00 9.98 C ATOM 1292 CG ASN A 81 -1.968 -11.487 -15.053 1.00 11.30 C ATOM 1293 OD1 ASN A 81 -2.751 -11.524 -14.128 1.00 11.75 O ATOM 1294 ND2 ASN A 81 -1.150 -12.478 -15.242 1.00 12.32 N ATOM 1295 OXT ASN A 81 0.644 -11.295 -17.078 1.00 11.63 O ATOM 0 H ASN A 81 -1.085 -7.781 -16.835 1.00 7.93 H new ATOM 0 HA ASN A 81 -0.071 -9.890 -14.946 1.00 9.62 H new ATOM 0 HB2 ASN A 81 -2.706 -9.577 -15.735 1.00 9.98 H new ATOM 0 HB3 ASN A 81 -2.105 -10.608 -17.019 1.00 9.98 H new ATOM 0 HD21 ASN A 81 -1.169 -13.282 -14.614 1.00 12.32 H new ATOM 0 HD22 ASN A 81 -0.489 -12.453 -16.018 1.00 12.32 H new TER 1302 ASN A 81