USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 842 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 49 HIS : no HD1:sc= -0.942 X(o=-0.91,f=-0.77) USER MOD Set 1.2: A 55 LYS NZ :NH3+ 150:sc= 0.0312 (180deg=0) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.424 K(o=1.7,f=0.18) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -144:sc= 1.3 (180deg=0.41) USER MOD Set 3.1: A 27 HIS : no HD1:sc= -0.0995 K(o=1.5,f=-9) USER MOD Set 3.2: A 28 LYS NZ :NH3+ 147:sc= 1.59 (180deg=-1.42) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 160:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 9:sc= 1.13 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -50:sc= 0.868 USER MOD Single : A 22 THR OG1 : rot 105:sc= 0.815 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= 1.23 (180deg=1.09) USER MOD Single : A 32 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.0023) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -112:sc= 0 (180deg=-1.45!) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= 1.25 (180deg=-0.274) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 1.23 (180deg=1.12) USER MOD Single : A 46 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.156) USER MOD Single : A 50 MET CE :methyl 151:sc=-0.00591 (180deg=-0.236) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 109:sc= 0.788 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.202 USER MOD Single : A 79 SER OG : rot -151:sc= 0.951 USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00498) USER MOD Single : A 83 THR OG1 : rot -17:sc= 0.00914 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.16) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc=-0.00167 USER MOD Single : A 105 THR OG1 : rot -82:sc= 0.535 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.584 -1.241 13.152 1.00 5.43 N ATOM 2 CA MET A 1 8.202 -1.377 13.670 1.00 3.57 C ATOM 3 C MET A 1 7.522 -2.616 13.100 1.00 1.93 C ATOM 4 O MET A 1 7.210 -3.515 13.870 1.00 2.57 O ATOM 5 CB MET A 1 7.372 -0.091 13.475 1.00 4.09 C ATOM 6 CG MET A 1 6.514 0.194 14.711 1.00 4.15 C ATOM 7 SD MET A 1 5.989 1.924 14.828 1.00 5.57 S ATOM 8 CE MET A 1 5.420 1.971 16.549 1.00 6.04 C ATOM 0 H1 MET A 1 10.024 -0.390 13.556 1.00 5.43 H new ATOM 0 H2 MET A 1 10.139 -2.078 13.421 1.00 5.43 H new ATOM 0 H3 MET A 1 9.560 -1.160 12.115 1.00 5.43 H new ATOM 0 HA MET A 1 8.268 -1.519 14.749 1.00 3.57 H new ATOM 0 HB2 MET A 1 8.037 0.752 13.286 1.00 4.09 H new ATOM 0 HB3 MET A 1 6.732 -0.195 12.599 1.00 4.09 H new ATOM 0 HG2 MET A 1 5.632 -0.446 14.689 1.00 4.15 H new ATOM 0 HG3 MET A 1 7.078 -0.070 15.606 1.00 4.15 H new ATOM 0 HE1 MET A 1 5.061 2.973 16.786 1.00 6.04 H new ATOM 0 HE2 MET A 1 4.610 1.254 16.684 1.00 6.04 H new ATOM 0 HE3 MET A 1 6.246 1.715 17.212 1.00 6.04 H new ATOM 20 N SER A 2 7.349 -2.682 11.772 1.00 1.44 N ATOM 21 CA SER A 2 6.643 -3.781 11.101 1.00 2.14 C ATOM 22 C SER A 2 7.395 -4.243 9.845 1.00 1.56 C ATOM 23 O SER A 2 8.100 -5.253 9.875 1.00 1.39 O ATOM 24 CB SER A 2 5.211 -3.331 10.766 1.00 4.15 C ATOM 25 OG SER A 2 4.502 -2.961 11.932 1.00 4.88 O ATOM 0 H SER A 2 7.697 -1.970 11.130 1.00 1.44 H new ATOM 0 HA SER A 2 6.597 -4.639 11.772 1.00 2.14 H new ATOM 0 HB2 SER A 2 5.245 -2.488 10.076 1.00 4.15 H new ATOM 0 HB3 SER A 2 4.683 -4.138 10.258 1.00 4.15 H new ATOM 0 HG SER A 2 3.742 -2.393 11.686 1.00 4.88 H new ATOM 31 N MET A 3 7.245 -3.465 8.766 1.00 1.42 N ATOM 32 CA MET A 3 7.711 -3.579 7.376 1.00 1.24 C ATOM 33 C MET A 3 9.236 -3.754 7.197 1.00 1.22 C ATOM 34 O MET A 3 9.932 -2.967 6.562 1.00 2.34 O ATOM 35 CB MET A 3 7.127 -2.365 6.615 1.00 1.02 C ATOM 36 CG MET A 3 7.328 -0.972 7.259 1.00 2.21 C ATOM 37 SD MET A 3 8.892 -0.107 6.947 1.00 4.93 S ATOM 38 CE MET A 3 8.656 1.376 7.958 1.00 6.31 C ATOM 0 H MET A 3 6.708 -2.604 8.866 1.00 1.42 H new ATOM 0 HA MET A 3 7.345 -4.515 6.954 1.00 1.24 H new ATOM 0 HB2 MET A 3 7.568 -2.345 5.619 1.00 1.02 H new ATOM 0 HB3 MET A 3 6.057 -2.528 6.486 1.00 1.02 H new ATOM 0 HG2 MET A 3 6.517 -0.327 6.921 1.00 2.21 H new ATOM 0 HG3 MET A 3 7.218 -1.084 8.338 1.00 2.21 H new ATOM 0 HE1 MET A 3 9.534 2.016 7.875 1.00 6.31 H new ATOM 0 HE2 MET A 3 7.777 1.918 7.609 1.00 6.31 H new ATOM 0 HE3 MET A 3 8.514 1.088 9.000 1.00 6.31 H new ATOM 48 N THR A 4 9.795 -4.782 7.828 1.00 0.79 N ATOM 49 CA THR A 4 11.236 -4.977 8.047 1.00 0.57 C ATOM 50 C THR A 4 11.471 -6.358 8.651 1.00 0.77 C ATOM 51 O THR A 4 12.220 -7.159 8.096 1.00 1.04 O ATOM 52 CB THR A 4 11.736 -3.880 9.015 1.00 0.61 C ATOM 53 OG1 THR A 4 11.822 -2.652 8.328 1.00 0.93 O ATOM 54 CG2 THR A 4 13.101 -4.138 9.651 1.00 0.91 C ATOM 0 H THR A 4 9.236 -5.539 8.221 1.00 0.79 H new ATOM 0 HA THR A 4 11.779 -4.909 7.104 1.00 0.57 H new ATOM 0 HB THR A 4 11.005 -3.872 9.823 1.00 0.61 H new ATOM 0 HG1 THR A 4 11.416 -2.744 7.441 1.00 0.93 H new ATOM 0 HG21 THR A 4 13.357 -3.309 10.311 1.00 0.91 H new ATOM 0 HG22 THR A 4 13.065 -5.063 10.226 1.00 0.91 H new ATOM 0 HG23 THR A 4 13.856 -4.226 8.870 1.00 0.91 H new ATOM 62 N ASP A 5 10.809 -6.608 9.784 1.00 0.78 N ATOM 63 CA ASP A 5 11.005 -7.760 10.666 1.00 0.98 C ATOM 64 C ASP A 5 9.798 -8.700 10.588 1.00 0.96 C ATOM 65 O ASP A 5 9.950 -9.911 10.445 1.00 1.20 O ATOM 66 CB ASP A 5 11.199 -7.206 12.088 1.00 1.14 C ATOM 67 CG ASP A 5 11.680 -8.264 13.078 1.00 1.47 C ATOM 68 OD1 ASP A 5 10.811 -9.004 13.586 1.00 1.71 O ATOM 69 OD2 ASP A 5 12.904 -8.286 13.330 1.00 2.51 O ATOM 0 H ASP A 5 10.084 -5.979 10.128 1.00 0.78 H new ATOM 0 HA ASP A 5 11.876 -8.344 10.369 1.00 0.98 H new ATOM 0 HB2 ASP A 5 11.920 -6.389 12.059 1.00 1.14 H new ATOM 0 HB3 ASP A 5 10.257 -6.787 12.441 1.00 1.14 H new ATOM 74 N LEU A 6 8.593 -8.117 10.601 1.00 0.82 N ATOM 75 CA LEU A 6 7.326 -8.822 10.474 1.00 0.88 C ATOM 76 C LEU A 6 7.221 -9.403 9.065 1.00 0.70 C ATOM 77 O LEU A 6 7.060 -10.608 8.915 1.00 0.84 O ATOM 78 CB LEU A 6 6.182 -7.845 10.783 1.00 1.03 C ATOM 79 CG LEU A 6 5.928 -7.544 12.274 1.00 1.35 C ATOM 80 CD1 LEU A 6 5.052 -8.629 12.907 1.00 2.67 C ATOM 81 CD2 LEU A 6 7.158 -7.316 13.156 1.00 2.35 C ATOM 0 H LEU A 6 8.477 -7.109 10.704 1.00 0.82 H new ATOM 0 HA LEU A 6 7.262 -9.649 11.182 1.00 0.88 H new ATOM 0 HB2 LEU A 6 6.388 -6.904 10.274 1.00 1.03 H new ATOM 0 HB3 LEU A 6 5.264 -8.245 10.353 1.00 1.03 H new ATOM 0 HG LEU A 6 5.421 -6.579 12.245 1.00 1.35 H new ATOM 0 HD11 LEU A 6 4.886 -8.395 13.959 1.00 2.67 H new ATOM 0 HD12 LEU A 6 4.094 -8.671 12.389 1.00 2.67 H new ATOM 0 HD13 LEU A 6 5.552 -9.594 12.824 1.00 2.67 H new ATOM 0 HD21 LEU A 6 6.840 -7.115 14.179 1.00 2.35 H new ATOM 0 HD22 LEU A 6 7.787 -8.206 13.140 1.00 2.35 H new ATOM 0 HD23 LEU A 6 7.724 -6.465 12.778 1.00 2.35 H new ATOM 93 N LEU A 7 7.378 -8.559 8.039 1.00 0.55 N ATOM 94 CA LEU A 7 7.446 -8.975 6.638 1.00 0.51 C ATOM 95 C LEU A 7 8.787 -9.644 6.330 1.00 0.63 C ATOM 96 O LEU A 7 8.874 -10.866 6.428 1.00 1.32 O ATOM 97 CB LEU A 7 7.137 -7.775 5.713 1.00 0.63 C ATOM 98 CG LEU A 7 5.651 -7.571 5.383 1.00 0.71 C ATOM 99 CD1 LEU A 7 5.150 -8.670 4.441 1.00 2.31 C ATOM 100 CD2 LEU A 7 4.778 -7.489 6.630 1.00 1.60 C ATOM 0 H LEU A 7 7.463 -7.550 8.164 1.00 0.55 H new ATOM 0 HA LEU A 7 6.683 -9.729 6.447 1.00 0.51 H new ATOM 0 HB2 LEU A 7 7.517 -6.867 6.182 1.00 0.63 H new ATOM 0 HB3 LEU A 7 7.686 -7.905 4.780 1.00 0.63 H new ATOM 0 HG LEU A 7 5.569 -6.609 4.878 1.00 0.71 H new ATOM 0 HD11 LEU A 7 4.095 -8.507 4.220 1.00 2.31 H new ATOM 0 HD12 LEU A 7 5.723 -8.644 3.514 1.00 2.31 H new ATOM 0 HD13 LEU A 7 5.275 -9.642 4.918 1.00 2.31 H new ATOM 0 HD21 LEU A 7 3.738 -7.345 6.337 1.00 1.60 H new ATOM 0 HD22 LEU A 7 4.870 -8.414 7.200 1.00 1.60 H new ATOM 0 HD23 LEU A 7 5.101 -6.650 7.246 1.00 1.60 H new ATOM 112 N ASN A 8 9.768 -8.817 5.945 1.00 0.47 N ATOM 113 CA ASN A 8 11.110 -9.098 5.433 1.00 0.43 C ATOM 114 C ASN A 8 11.632 -7.826 4.736 1.00 0.38 C ATOM 115 O ASN A 8 11.048 -7.397 3.737 1.00 0.39 O ATOM 116 CB ASN A 8 11.099 -10.208 4.368 1.00 0.47 C ATOM 117 CG ASN A 8 11.148 -11.641 4.861 1.00 0.68 C ATOM 118 OD1 ASN A 8 11.753 -11.979 5.865 1.00 1.29 O ATOM 119 ND2 ASN A 8 10.550 -12.537 4.102 1.00 1.46 N ATOM 0 H ASN A 8 9.616 -7.809 5.993 1.00 0.47 H new ATOM 0 HA ASN A 8 11.729 -9.411 6.274 1.00 0.43 H new ATOM 0 HB2 ASN A 8 10.199 -10.089 3.765 1.00 0.47 H new ATOM 0 HB3 ASN A 8 11.950 -10.049 3.706 1.00 0.47 H new ATOM 0 HD21 ASN A 8 10.590 -13.525 4.352 1.00 1.46 H new ATOM 0 HD22 ASN A 8 10.047 -12.242 3.265 1.00 1.46 H new ATOM 126 N ALA A 9 12.734 -7.236 5.209 1.00 0.41 N ATOM 127 CA ALA A 9 13.391 -6.105 4.542 1.00 0.40 C ATOM 128 C ALA A 9 13.736 -6.355 3.053 1.00 0.34 C ATOM 129 O ALA A 9 13.563 -5.454 2.234 1.00 0.32 O ATOM 130 CB ALA A 9 14.633 -5.720 5.351 1.00 0.50 C ATOM 0 H ALA A 9 13.198 -7.530 6.068 1.00 0.41 H new ATOM 0 HA ALA A 9 12.680 -5.280 4.516 1.00 0.40 H new ATOM 0 HB1 ALA A 9 15.135 -4.880 4.870 1.00 0.50 H new ATOM 0 HB2 ALA A 9 14.336 -5.435 6.360 1.00 0.50 H new ATOM 0 HB3 ALA A 9 15.314 -6.570 5.399 1.00 0.50 H new ATOM 136 N GLU A 10 14.178 -7.567 2.681 1.00 0.38 N ATOM 137 CA GLU A 10 14.452 -7.980 1.288 1.00 0.44 C ATOM 138 C GLU A 10 13.209 -7.860 0.391 1.00 0.39 C ATOM 139 O GLU A 10 13.236 -7.247 -0.680 1.00 0.56 O ATOM 140 CB GLU A 10 14.950 -9.436 1.277 1.00 0.57 C ATOM 141 CG GLU A 10 16.412 -9.555 1.723 1.00 1.18 C ATOM 142 CD GLU A 10 16.865 -11.019 1.777 1.00 1.77 C ATOM 143 OE1 GLU A 10 16.841 -11.670 0.709 1.00 2.90 O ATOM 144 OE2 GLU A 10 17.240 -11.462 2.885 1.00 2.16 O ATOM 0 H GLU A 10 14.361 -8.309 3.356 1.00 0.38 H new ATOM 0 HA GLU A 10 15.214 -7.311 0.888 1.00 0.44 H new ATOM 0 HB2 GLU A 10 14.322 -10.037 1.934 1.00 0.57 H new ATOM 0 HB3 GLU A 10 14.844 -9.846 0.273 1.00 0.57 H new ATOM 0 HG2 GLU A 10 17.050 -9.001 1.035 1.00 1.18 H new ATOM 0 HG3 GLU A 10 16.532 -9.099 2.706 1.00 1.18 H new ATOM 151 N ASP A 11 12.108 -8.443 0.855 1.00 0.30 N ATOM 152 CA ASP A 11 10.809 -8.454 0.199 1.00 0.29 C ATOM 153 C ASP A 11 10.307 -6.997 0.062 1.00 0.27 C ATOM 154 O ASP A 11 9.950 -6.566 -1.035 1.00 0.30 O ATOM 155 CB ASP A 11 9.821 -9.374 0.963 1.00 0.32 C ATOM 156 CG ASP A 11 10.259 -10.823 1.283 1.00 0.73 C ATOM 157 OD1 ASP A 11 11.463 -11.137 1.218 1.00 1.88 O ATOM 158 OD2 ASP A 11 9.400 -11.632 1.728 1.00 1.79 O ATOM 0 H ASP A 11 12.099 -8.945 1.743 1.00 0.30 H new ATOM 0 HA ASP A 11 10.890 -8.872 -0.804 1.00 0.29 H new ATOM 0 HB2 ASP A 11 9.575 -8.886 1.906 1.00 0.32 H new ATOM 0 HB3 ASP A 11 8.900 -9.427 0.382 1.00 0.32 H new ATOM 163 N ILE A 12 10.371 -6.197 1.143 1.00 0.25 N ATOM 164 CA ILE A 12 10.123 -4.738 1.151 1.00 0.24 C ATOM 165 C ILE A 12 10.969 -3.979 0.123 1.00 0.25 C ATOM 166 O ILE A 12 10.443 -3.116 -0.582 1.00 0.28 O ATOM 167 CB ILE A 12 10.279 -4.178 2.592 1.00 0.28 C ATOM 168 CG1 ILE A 12 8.906 -4.014 3.278 1.00 0.40 C ATOM 169 CG2 ILE A 12 10.974 -2.817 2.678 1.00 0.34 C ATOM 170 CD1 ILE A 12 8.448 -5.304 3.941 1.00 0.51 C ATOM 0 H ILE A 12 10.605 -6.558 2.068 1.00 0.25 H new ATOM 0 HA ILE A 12 9.093 -4.574 0.835 1.00 0.24 H new ATOM 0 HB ILE A 12 10.904 -4.919 3.090 1.00 0.28 H new ATOM 0 HG12 ILE A 12 8.965 -3.223 4.025 1.00 0.40 H new ATOM 0 HG13 ILE A 12 8.166 -3.702 2.541 1.00 0.40 H new ATOM 0 HG21 ILE A 12 11.038 -2.506 3.721 1.00 0.34 H new ATOM 0 HG22 ILE A 12 11.978 -2.894 2.260 1.00 0.34 H new ATOM 0 HG23 ILE A 12 10.402 -2.080 2.114 1.00 0.34 H new ATOM 0 HD11 ILE A 12 7.478 -5.146 4.412 1.00 0.51 H new ATOM 0 HD12 ILE A 12 8.363 -6.089 3.190 1.00 0.51 H new ATOM 0 HD13 ILE A 12 9.174 -5.602 4.697 1.00 0.51 H new ATOM 182 N LYS A 13 12.264 -4.289 0.013 1.00 0.26 N ATOM 183 CA LYS A 13 13.169 -3.694 -0.966 1.00 0.31 C ATOM 184 C LYS A 13 12.659 -3.933 -2.394 1.00 0.32 C ATOM 185 O LYS A 13 12.553 -2.975 -3.162 1.00 0.41 O ATOM 186 CB LYS A 13 14.587 -4.216 -0.664 1.00 0.41 C ATOM 187 CG LYS A 13 15.585 -4.195 -1.821 1.00 1.12 C ATOM 188 CD LYS A 13 15.869 -2.770 -2.326 1.00 1.84 C ATOM 189 CE LYS A 13 17.038 -2.755 -3.313 1.00 2.69 C ATOM 190 NZ LYS A 13 17.249 -1.395 -3.867 1.00 3.74 N ATOM 0 H LYS A 13 12.719 -4.975 0.616 1.00 0.26 H new ATOM 0 HA LYS A 13 13.207 -2.607 -0.889 1.00 0.31 H new ATOM 0 HB2 LYS A 13 15.001 -3.625 0.153 1.00 0.41 H new ATOM 0 HB3 LYS A 13 14.503 -5.242 -0.305 1.00 0.41 H new ATOM 0 HG2 LYS A 13 16.519 -4.656 -1.500 1.00 1.12 H new ATOM 0 HG3 LYS A 13 15.197 -4.798 -2.642 1.00 1.12 H new ATOM 0 HD2 LYS A 13 14.978 -2.368 -2.808 1.00 1.84 H new ATOM 0 HD3 LYS A 13 16.095 -2.120 -1.481 1.00 1.84 H new ATOM 0 HE2 LYS A 13 17.946 -3.092 -2.812 1.00 2.69 H new ATOM 0 HE3 LYS A 13 16.842 -3.456 -4.125 1.00 2.69 H new ATOM 0 HZ1 LYS A 13 18.047 -1.412 -4.533 1.00 3.74 H new ATOM 0 HZ2 LYS A 13 16.389 -1.085 -4.364 1.00 3.74 H new ATOM 0 HZ3 LYS A 13 17.458 -0.733 -3.092 1.00 3.74 H new ATOM 204 N LYS A 14 12.296 -5.174 -2.748 1.00 0.32 N ATOM 205 CA LYS A 14 11.654 -5.457 -4.045 1.00 0.39 C ATOM 206 C LYS A 14 10.291 -4.777 -4.195 1.00 0.39 C ATOM 207 O LYS A 14 9.988 -4.287 -5.280 1.00 0.45 O ATOM 208 CB LYS A 14 11.545 -6.972 -4.290 1.00 0.47 C ATOM 209 CG LYS A 14 12.901 -7.664 -4.511 1.00 0.72 C ATOM 210 CD LYS A 14 13.674 -7.093 -5.714 1.00 2.25 C ATOM 211 CE LYS A 14 14.834 -8.015 -6.098 1.00 2.60 C ATOM 212 NZ LYS A 14 15.590 -7.481 -7.257 1.00 4.19 N ATOM 0 H LYS A 14 12.434 -5.996 -2.160 1.00 0.32 H new ATOM 0 HA LYS A 14 12.301 -5.028 -4.810 1.00 0.39 H new ATOM 0 HB2 LYS A 14 11.047 -7.434 -3.438 1.00 0.47 H new ATOM 0 HB3 LYS A 14 10.913 -7.145 -5.161 1.00 0.47 H new ATOM 0 HG2 LYS A 14 13.508 -7.559 -3.612 1.00 0.72 H new ATOM 0 HG3 LYS A 14 12.739 -8.731 -4.663 1.00 0.72 H new ATOM 0 HD2 LYS A 14 13.000 -6.975 -6.563 1.00 2.25 H new ATOM 0 HD3 LYS A 14 14.056 -6.102 -5.470 1.00 2.25 H new ATOM 0 HE2 LYS A 14 15.505 -8.132 -5.247 1.00 2.60 H new ATOM 0 HE3 LYS A 14 14.449 -9.006 -6.338 1.00 2.60 H new ATOM 0 HZ1 LYS A 14 16.369 -8.129 -7.492 1.00 4.19 H new ATOM 0 HZ2 LYS A 14 14.954 -7.393 -8.075 1.00 4.19 H new ATOM 0 HZ3 LYS A 14 15.978 -6.546 -7.018 1.00 4.19 H new ATOM 226 N ALA A 15 9.512 -4.684 -3.115 1.00 0.35 N ATOM 227 CA ALA A 15 8.217 -4.020 -3.093 1.00 0.40 C ATOM 228 C ALA A 15 8.323 -2.549 -3.492 1.00 0.36 C ATOM 229 O ALA A 15 7.761 -2.143 -4.506 1.00 0.42 O ATOM 230 CB ALA A 15 7.609 -4.164 -1.700 1.00 0.44 C ATOM 0 H ALA A 15 9.775 -5.079 -2.212 1.00 0.35 H new ATOM 0 HA ALA A 15 7.569 -4.497 -3.828 1.00 0.40 H new ATOM 0 HB1 ALA A 15 6.638 -3.669 -1.674 1.00 0.44 H new ATOM 0 HB2 ALA A 15 7.484 -5.221 -1.465 1.00 0.44 H new ATOM 0 HB3 ALA A 15 8.270 -3.705 -0.965 1.00 0.44 H new ATOM 236 N VAL A 16 9.071 -1.747 -2.724 1.00 0.32 N ATOM 237 CA VAL A 16 9.222 -0.311 -2.989 1.00 0.32 C ATOM 238 C VAL A 16 9.793 -0.073 -4.390 1.00 0.26 C ATOM 239 O VAL A 16 9.325 0.827 -5.082 1.00 0.33 O ATOM 240 CB VAL A 16 10.031 0.374 -1.869 1.00 0.38 C ATOM 241 CG1 VAL A 16 10.266 1.863 -2.128 1.00 0.56 C ATOM 242 CG2 VAL A 16 9.272 0.254 -0.541 1.00 0.84 C ATOM 0 H VAL A 16 9.586 -2.073 -1.906 1.00 0.32 H new ATOM 0 HA VAL A 16 8.238 0.158 -2.979 1.00 0.32 H new ATOM 0 HB VAL A 16 10.997 -0.129 -1.835 1.00 0.38 H new ATOM 0 HG11 VAL A 16 10.840 2.289 -1.305 1.00 0.56 H new ATOM 0 HG12 VAL A 16 10.819 1.988 -3.059 1.00 0.56 H new ATOM 0 HG13 VAL A 16 9.307 2.375 -2.204 1.00 0.56 H new ATOM 0 HG21 VAL A 16 9.844 0.738 0.250 1.00 0.84 H new ATOM 0 HG22 VAL A 16 8.299 0.737 -0.633 1.00 0.84 H new ATOM 0 HG23 VAL A 16 9.133 -0.799 -0.295 1.00 0.84 H new ATOM 252 N GLY A 17 10.687 -0.950 -4.871 1.00 0.22 N ATOM 253 CA GLY A 17 11.180 -0.929 -6.249 1.00 0.25 C ATOM 254 C GLY A 17 10.083 -1.080 -7.314 1.00 0.29 C ATOM 255 O GLY A 17 10.232 -0.543 -8.408 1.00 0.51 O ATOM 0 H GLY A 17 11.089 -1.698 -4.307 1.00 0.22 H new ATOM 0 HA2 GLY A 17 11.709 0.009 -6.419 1.00 0.25 H new ATOM 0 HA3 GLY A 17 11.906 -1.732 -6.375 1.00 0.25 H new ATOM 259 N ALA A 18 8.978 -1.770 -7.006 1.00 0.33 N ATOM 260 CA ALA A 18 7.860 -2.008 -7.918 1.00 0.38 C ATOM 261 C ALA A 18 6.889 -0.815 -8.052 1.00 0.38 C ATOM 262 O ALA A 18 6.267 -0.668 -9.102 1.00 0.69 O ATOM 263 CB ALA A 18 7.128 -3.271 -7.447 1.00 0.53 C ATOM 0 H ALA A 18 8.836 -2.189 -6.087 1.00 0.33 H new ATOM 0 HA ALA A 18 8.266 -2.141 -8.921 1.00 0.38 H new ATOM 0 HB1 ALA A 18 6.287 -3.473 -8.111 1.00 0.53 H new ATOM 0 HB2 ALA A 18 7.815 -4.117 -7.464 1.00 0.53 H new ATOM 0 HB3 ALA A 18 6.761 -3.122 -6.432 1.00 0.53 H new ATOM 269 N PHE A 19 6.763 0.051 -7.032 1.00 0.38 N ATOM 270 CA PHE A 19 6.025 1.330 -7.127 1.00 0.43 C ATOM 271 C PHE A 19 6.968 2.535 -7.359 1.00 0.47 C ATOM 272 O PHE A 19 6.472 3.646 -7.521 1.00 0.56 O ATOM 273 CB PHE A 19 5.210 1.615 -5.850 1.00 0.45 C ATOM 274 CG PHE A 19 3.955 0.822 -5.527 1.00 0.49 C ATOM 275 CD1 PHE A 19 3.607 -0.333 -6.243 1.00 1.69 C ATOM 276 CD2 PHE A 19 3.120 1.260 -4.473 1.00 1.57 C ATOM 277 CE1 PHE A 19 2.481 -1.063 -5.848 1.00 1.73 C ATOM 278 CE2 PHE A 19 1.994 0.512 -4.075 1.00 1.55 C ATOM 279 CZ PHE A 19 1.684 -0.667 -4.767 1.00 0.57 C ATOM 0 H PHE A 19 7.171 -0.114 -6.112 1.00 0.38 H new ATOM 0 HA PHE A 19 5.358 1.216 -7.982 1.00 0.43 H new ATOM 0 HB2 PHE A 19 5.889 1.496 -5.005 1.00 0.45 H new ATOM 0 HB3 PHE A 19 4.923 2.666 -5.883 1.00 0.45 H new ATOM 0 HD1 PHE A 19 4.200 -0.654 -7.087 1.00 1.69 H new ATOM 0 HD2 PHE A 19 3.349 2.184 -3.964 1.00 1.57 H new ATOM 0 HE1 PHE A 19 2.219 -1.958 -6.393 1.00 1.73 H new ATOM 0 HE2 PHE A 19 1.380 0.842 -3.250 1.00 1.55 H new ATOM 0 HZ PHE A 19 0.836 -1.266 -4.468 1.00 0.57 H new ATOM 289 N SER A 20 8.302 2.358 -7.350 1.00 0.50 N ATOM 290 CA SER A 20 9.339 3.403 -7.498 1.00 0.58 C ATOM 291 C SER A 20 9.351 4.070 -8.894 1.00 0.58 C ATOM 292 O SER A 20 10.356 4.046 -9.610 1.00 0.68 O ATOM 293 CB SER A 20 10.711 2.808 -7.129 1.00 0.76 C ATOM 294 OG SER A 20 11.754 3.714 -7.413 1.00 1.89 O ATOM 0 H SER A 20 8.711 1.431 -7.233 1.00 0.50 H new ATOM 0 HA SER A 20 9.097 4.213 -6.809 1.00 0.58 H new ATOM 0 HB2 SER A 20 10.726 2.553 -6.069 1.00 0.76 H new ATOM 0 HB3 SER A 20 10.869 1.882 -7.682 1.00 0.76 H new ATOM 0 HG SER A 20 11.660 4.044 -8.331 1.00 1.89 H new ATOM 300 N ALA A 21 8.231 4.692 -9.258 1.00 0.60 N ATOM 301 CA ALA A 21 7.919 5.339 -10.523 1.00 0.76 C ATOM 302 C ALA A 21 6.906 6.483 -10.294 1.00 0.89 C ATOM 303 O ALA A 21 6.635 6.862 -9.155 1.00 1.51 O ATOM 304 CB ALA A 21 7.373 4.257 -11.464 1.00 0.82 C ATOM 0 H ALA A 21 7.447 4.760 -8.609 1.00 0.60 H new ATOM 0 HA ALA A 21 8.803 5.793 -10.971 1.00 0.76 H new ATOM 0 HB1 ALA A 21 7.126 4.703 -12.427 1.00 0.82 H new ATOM 0 HB2 ALA A 21 8.128 3.483 -11.605 1.00 0.82 H new ATOM 0 HB3 ALA A 21 6.477 3.815 -11.029 1.00 0.82 H new ATOM 310 N THR A 22 6.368 7.063 -11.373 1.00 0.73 N ATOM 311 CA THR A 22 5.345 8.114 -11.328 1.00 0.84 C ATOM 312 C THR A 22 3.954 7.530 -11.061 1.00 1.32 C ATOM 313 O THR A 22 3.412 7.699 -9.970 1.00 2.86 O ATOM 314 CB THR A 22 5.362 8.935 -12.636 1.00 0.61 C ATOM 315 OG1 THR A 22 5.374 8.088 -13.772 1.00 0.82 O ATOM 316 CG2 THR A 22 6.605 9.823 -12.709 1.00 1.03 C ATOM 0 H THR A 22 6.638 6.809 -12.323 1.00 0.73 H new ATOM 0 HA THR A 22 5.581 8.781 -10.499 1.00 0.84 H new ATOM 0 HB THR A 22 4.459 9.546 -12.633 1.00 0.61 H new ATOM 0 HG1 THR A 22 4.485 8.081 -14.184 1.00 0.82 H new ATOM 0 HG21 THR A 22 6.593 10.390 -13.640 1.00 1.03 H new ATOM 0 HG22 THR A 22 6.610 10.512 -11.864 1.00 1.03 H new ATOM 0 HG23 THR A 22 7.499 9.201 -12.675 1.00 1.03 H new ATOM 324 N ASP A 23 3.367 6.900 -12.084 1.00 0.65 N ATOM 325 CA ASP A 23 1.989 6.407 -12.176 1.00 0.71 C ATOM 326 C ASP A 23 1.895 4.978 -12.731 1.00 0.65 C ATOM 327 O ASP A 23 0.839 4.557 -13.203 1.00 0.93 O ATOM 328 CB ASP A 23 1.108 7.424 -12.927 1.00 1.06 C ATOM 329 CG ASP A 23 1.845 8.348 -13.906 1.00 1.87 C ATOM 330 OD1 ASP A 23 2.629 7.856 -14.747 1.00 2.81 O ATOM 331 OD2 ASP A 23 1.659 9.581 -13.751 1.00 2.96 O ATOM 0 H ASP A 23 3.887 6.706 -12.940 1.00 0.65 H new ATOM 0 HA ASP A 23 1.594 6.322 -11.164 1.00 0.71 H new ATOM 0 HB2 ASP A 23 0.343 6.877 -13.478 1.00 1.06 H new ATOM 0 HB3 ASP A 23 0.591 8.042 -12.192 1.00 1.06 H new ATOM 336 N SER A 24 2.990 4.216 -12.641 1.00 0.58 N ATOM 337 CA SER A 24 3.033 2.796 -12.988 1.00 0.61 C ATOM 338 C SER A 24 1.996 1.979 -12.213 1.00 1.08 C ATOM 339 O SER A 24 1.167 1.330 -12.843 1.00 2.80 O ATOM 340 CB SER A 24 4.424 2.212 -12.719 1.00 0.79 C ATOM 341 OG SER A 24 5.392 2.812 -13.554 1.00 1.92 O ATOM 0 H SER A 24 3.887 4.578 -12.318 1.00 0.58 H new ATOM 0 HA SER A 24 2.801 2.731 -14.051 1.00 0.61 H new ATOM 0 HB2 SER A 24 4.692 2.368 -11.674 1.00 0.79 H new ATOM 0 HB3 SER A 24 4.410 1.135 -12.887 1.00 0.79 H new ATOM 0 HG SER A 24 6.272 2.426 -13.364 1.00 1.92 H new ATOM 347 N PHE A 25 2.075 2.026 -10.872 1.00 0.69 N ATOM 348 CA PHE A 25 1.446 1.182 -9.846 1.00 0.60 C ATOM 349 C PHE A 25 1.438 -0.339 -10.103 1.00 0.90 C ATOM 350 O PHE A 25 1.238 -0.815 -11.216 1.00 2.10 O ATOM 351 CB PHE A 25 0.003 1.675 -9.651 1.00 0.84 C ATOM 352 CG PHE A 25 -0.677 1.305 -8.349 1.00 1.09 C ATOM 353 CD1 PHE A 25 -0.056 1.581 -7.115 1.00 1.63 C ATOM 354 CD2 PHE A 25 -1.984 0.779 -8.369 1.00 2.85 C ATOM 355 CE1 PHE A 25 -0.723 1.288 -5.915 1.00 1.61 C ATOM 356 CE2 PHE A 25 -2.654 0.504 -7.164 1.00 3.19 C ATOM 357 CZ PHE A 25 -2.008 0.726 -5.938 1.00 1.79 C ATOM 0 H PHE A 25 2.651 2.743 -10.431 1.00 0.69 H new ATOM 0 HA PHE A 25 2.067 1.292 -8.957 1.00 0.60 H new ATOM 0 HB2 PHE A 25 0.001 2.762 -9.738 1.00 0.84 H new ATOM 0 HB3 PHE A 25 -0.602 1.288 -10.471 1.00 0.84 H new ATOM 0 HD1 PHE A 25 0.932 2.017 -7.092 1.00 1.63 H new ATOM 0 HD2 PHE A 25 -2.473 0.587 -9.313 1.00 2.85 H new ATOM 0 HE1 PHE A 25 -0.244 1.496 -4.969 1.00 1.61 H new ATOM 0 HE2 PHE A 25 -3.664 0.123 -7.182 1.00 3.19 H new ATOM 0 HZ PHE A 25 -2.500 0.464 -5.013 1.00 1.79 H new ATOM 367 N ASP A 26 1.565 -1.149 -9.043 1.00 0.67 N ATOM 368 CA ASP A 26 1.409 -2.604 -9.193 1.00 0.68 C ATOM 369 C ASP A 26 1.002 -3.313 -7.896 1.00 0.57 C ATOM 370 O ASP A 26 1.671 -4.238 -7.444 1.00 0.62 O ATOM 371 CB ASP A 26 2.677 -3.222 -9.812 1.00 0.95 C ATOM 372 CG ASP A 26 2.353 -4.547 -10.509 1.00 1.50 C ATOM 373 OD1 ASP A 26 1.390 -5.241 -10.096 1.00 2.70 O ATOM 374 OD2 ASP A 26 3.099 -4.881 -11.455 1.00 2.12 O ATOM 0 H ASP A 26 1.770 -0.833 -8.095 1.00 0.67 H new ATOM 0 HA ASP A 26 0.576 -2.761 -9.878 1.00 0.68 H new ATOM 0 HB2 ASP A 26 3.113 -2.526 -10.529 1.00 0.95 H new ATOM 0 HB3 ASP A 26 3.423 -3.388 -9.035 1.00 0.95 H new ATOM 379 N HIS A 27 -0.062 -2.851 -7.230 1.00 0.59 N ATOM 380 CA HIS A 27 -0.542 -3.439 -5.970 1.00 0.57 C ATOM 381 C HIS A 27 -0.564 -4.978 -5.953 1.00 0.51 C ATOM 382 O HIS A 27 -0.066 -5.570 -4.996 1.00 0.54 O ATOM 383 CB HIS A 27 -1.880 -2.809 -5.548 1.00 0.67 C ATOM 384 CG HIS A 27 -2.995 -2.726 -6.575 1.00 1.47 C ATOM 385 ND1 HIS A 27 -2.881 -2.638 -7.952 1.00 2.79 N ATOM 386 CD2 HIS A 27 -4.315 -2.530 -6.271 1.00 2.50 C ATOM 387 CE1 HIS A 27 -4.100 -2.389 -8.457 1.00 3.48 C ATOM 388 NE2 HIS A 27 -5.011 -2.360 -7.472 1.00 3.26 N ATOM 0 H HIS A 27 -0.617 -2.057 -7.549 1.00 0.59 H new ATOM 0 HA HIS A 27 0.199 -3.186 -5.212 1.00 0.57 H new ATOM 0 HB2 HIS A 27 -2.257 -3.371 -4.694 1.00 0.67 H new ATOM 0 HB3 HIS A 27 -1.675 -1.797 -5.198 1.00 0.67 H new ATOM 0 HD2 HIS A 27 -4.743 -2.510 -5.280 1.00 2.50 H new ATOM 0 HE1 HIS A 27 -4.316 -2.234 -9.504 1.00 3.48 H new ATOM 0 HE2 HIS A 27 -6.018 -2.237 -7.579 1.00 3.26 H new ATOM 396 N LYS A 28 -1.042 -5.612 -7.037 1.00 0.51 N ATOM 397 CA LYS A 28 -0.931 -7.047 -7.327 1.00 0.56 C ATOM 398 C LYS A 28 0.509 -7.556 -7.138 1.00 0.42 C ATOM 399 O LYS A 28 0.719 -8.360 -6.224 1.00 0.49 O ATOM 400 CB LYS A 28 -1.392 -7.307 -8.775 1.00 0.78 C ATOM 401 CG LYS A 28 -2.906 -7.309 -9.024 1.00 1.31 C ATOM 402 CD LYS A 28 -3.649 -5.968 -8.977 1.00 2.59 C ATOM 403 CE LYS A 28 -4.361 -5.821 -7.632 1.00 4.46 C ATOM 404 NZ LYS A 28 -5.667 -5.140 -7.745 1.00 5.54 N ATOM 0 H LYS A 28 -1.541 -5.109 -7.771 1.00 0.51 H new ATOM 0 HA LYS A 28 -1.566 -7.588 -6.626 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -0.942 -6.550 -9.417 1.00 0.78 H new ATOM 0 HB3 LYS A 28 -0.993 -8.271 -9.092 1.00 0.78 H new ATOM 0 HG2 LYS A 28 -3.082 -7.753 -10.004 1.00 1.31 H new ATOM 0 HG3 LYS A 28 -3.364 -7.970 -8.288 1.00 1.31 H new ATOM 0 HD2 LYS A 28 -2.947 -5.147 -9.119 1.00 2.59 H new ATOM 0 HD3 LYS A 28 -4.372 -5.913 -9.790 1.00 2.59 H new ATOM 0 HE2 LYS A 28 -4.508 -6.808 -7.195 1.00 4.46 H new ATOM 0 HE3 LYS A 28 -3.723 -5.261 -6.948 1.00 4.46 H new ATOM 0 HZ1 LYS A 28 -6.322 -5.525 -7.035 1.00 5.54 H new ATOM 0 HZ2 LYS A 28 -5.542 -4.120 -7.583 1.00 5.54 H new ATOM 0 HZ3 LYS A 28 -6.058 -5.294 -8.696 1.00 5.54 H new ATOM 418 N LYS A 29 1.484 -7.150 -7.978 1.00 0.47 N ATOM 419 CA LYS A 29 2.851 -7.706 -7.891 1.00 0.58 C ATOM 420 C LYS A 29 3.573 -7.243 -6.633 1.00 0.48 C ATOM 421 O LYS A 29 4.333 -8.020 -6.071 1.00 0.48 O ATOM 422 CB LYS A 29 3.754 -7.374 -9.090 1.00 0.95 C ATOM 423 CG LYS A 29 3.337 -7.997 -10.431 1.00 1.26 C ATOM 424 CD LYS A 29 4.549 -8.074 -11.382 1.00 1.44 C ATOM 425 CE LYS A 29 4.173 -7.876 -12.856 1.00 2.02 C ATOM 426 NZ LYS A 29 4.233 -6.445 -13.233 1.00 2.98 N ATOM 0 H LYS A 29 1.355 -6.453 -8.711 1.00 0.47 H new ATOM 0 HA LYS A 29 2.686 -8.783 -7.876 1.00 0.58 H new ATOM 0 HB2 LYS A 29 3.786 -6.291 -9.208 1.00 0.95 H new ATOM 0 HB3 LYS A 29 4.768 -7.700 -8.859 1.00 0.95 H new ATOM 0 HG2 LYS A 29 2.931 -8.995 -10.266 1.00 1.26 H new ATOM 0 HG3 LYS A 29 2.545 -7.402 -10.886 1.00 1.26 H new ATOM 0 HD2 LYS A 29 5.277 -7.316 -11.094 1.00 1.44 H new ATOM 0 HD3 LYS A 29 5.034 -9.043 -11.264 1.00 1.44 H new ATOM 0 HE2 LYS A 29 4.850 -8.451 -13.488 1.00 2.02 H new ATOM 0 HE3 LYS A 29 3.169 -8.260 -13.033 1.00 2.02 H new ATOM 0 HZ1 LYS A 29 3.424 -6.213 -13.844 1.00 2.98 H new ATOM 0 HZ2 LYS A 29 4.199 -5.858 -12.375 1.00 2.98 H new ATOM 0 HZ3 LYS A 29 5.118 -6.258 -13.745 1.00 2.98 H new ATOM 440 N PHE A 30 3.319 -6.022 -6.163 1.00 0.45 N ATOM 441 CA PHE A 30 3.870 -5.475 -4.930 1.00 0.38 C ATOM 442 C PHE A 30 3.571 -6.397 -3.754 1.00 0.32 C ATOM 443 O PHE A 30 4.517 -6.881 -3.142 1.00 0.36 O ATOM 444 CB PHE A 30 3.322 -4.067 -4.716 1.00 0.42 C ATOM 445 CG PHE A 30 3.913 -3.303 -3.548 1.00 0.50 C ATOM 446 CD1 PHE A 30 3.547 -3.599 -2.219 1.00 1.68 C ATOM 447 CD2 PHE A 30 4.822 -2.261 -3.800 1.00 2.21 C ATOM 448 CE1 PHE A 30 4.130 -2.888 -1.156 1.00 1.57 C ATOM 449 CE2 PHE A 30 5.370 -1.524 -2.743 1.00 2.45 C ATOM 450 CZ PHE A 30 5.048 -1.856 -1.421 1.00 0.99 C ATOM 0 H PHE A 30 2.704 -5.368 -6.648 1.00 0.45 H new ATOM 0 HA PHE A 30 4.955 -5.408 -5.006 1.00 0.38 H new ATOM 0 HB2 PHE A 30 3.488 -3.490 -5.626 1.00 0.42 H new ATOM 0 HB3 PHE A 30 2.243 -4.134 -4.574 1.00 0.42 H new ATOM 0 HD1 PHE A 30 2.819 -4.371 -2.018 1.00 1.68 H new ATOM 0 HD2 PHE A 30 5.100 -2.027 -4.817 1.00 2.21 H new ATOM 0 HE1 PHE A 30 3.873 -3.134 -0.136 1.00 1.57 H new ATOM 0 HE2 PHE A 30 6.039 -0.701 -2.947 1.00 2.45 H new ATOM 0 HZ PHE A 30 5.506 -1.319 -0.604 1.00 0.99 H new ATOM 460 N PHE A 31 2.288 -6.693 -3.482 1.00 0.31 N ATOM 461 CA PHE A 31 1.872 -7.602 -2.403 1.00 0.32 C ATOM 462 C PHE A 31 2.473 -9.009 -2.520 1.00 0.34 C ATOM 463 O PHE A 31 2.659 -9.680 -1.503 1.00 0.41 O ATOM 464 CB PHE A 31 0.349 -7.721 -2.351 1.00 0.36 C ATOM 465 CG PHE A 31 -0.309 -7.004 -1.188 1.00 0.57 C ATOM 466 CD1 PHE A 31 -0.398 -5.600 -1.170 1.00 1.65 C ATOM 467 CD2 PHE A 31 -0.893 -7.751 -0.148 1.00 2.34 C ATOM 468 CE1 PHE A 31 -1.082 -4.951 -0.123 1.00 1.62 C ATOM 469 CE2 PHE A 31 -1.570 -7.105 0.900 1.00 2.54 C ATOM 470 CZ PHE A 31 -1.670 -5.703 0.910 1.00 1.09 C ATOM 0 H PHE A 31 1.506 -6.305 -4.009 1.00 0.31 H new ATOM 0 HA PHE A 31 2.253 -7.156 -1.484 1.00 0.32 H new ATOM 0 HB2 PHE A 31 -0.063 -7.329 -3.281 1.00 0.36 H new ATOM 0 HB3 PHE A 31 0.083 -8.777 -2.305 1.00 0.36 H new ATOM 0 HD1 PHE A 31 0.058 -5.020 -1.959 1.00 1.65 H new ATOM 0 HD2 PHE A 31 -0.820 -8.829 -0.156 1.00 2.34 H new ATOM 0 HE1 PHE A 31 -1.155 -3.874 -0.114 1.00 1.62 H new ATOM 0 HE2 PHE A 31 -2.013 -7.685 1.696 1.00 2.54 H new ATOM 0 HZ PHE A 31 -2.197 -5.204 1.710 1.00 1.09 H new ATOM 480 N GLN A 32 2.759 -9.457 -3.746 1.00 0.34 N ATOM 481 CA GLN A 32 3.426 -10.730 -4.013 1.00 0.40 C ATOM 482 C GLN A 32 4.940 -10.638 -3.725 1.00 0.41 C ATOM 483 O GLN A 32 5.449 -11.424 -2.931 1.00 0.46 O ATOM 484 CB GLN A 32 3.122 -11.159 -5.462 1.00 0.47 C ATOM 485 CG GLN A 32 1.628 -11.481 -5.671 1.00 0.49 C ATOM 486 CD GLN A 32 1.212 -11.480 -7.142 1.00 0.88 C ATOM 487 OE1 GLN A 32 1.878 -12.016 -8.009 1.00 1.80 O ATOM 488 NE2 GLN A 32 0.074 -10.900 -7.474 1.00 0.95 N ATOM 0 H GLN A 32 2.529 -8.936 -4.592 1.00 0.34 H new ATOM 0 HA GLN A 32 3.041 -11.497 -3.341 1.00 0.40 H new ATOM 0 HB2 GLN A 32 3.420 -10.364 -6.145 1.00 0.47 H new ATOM 0 HB3 GLN A 32 3.720 -12.035 -5.713 1.00 0.47 H new ATOM 0 HG2 GLN A 32 1.410 -12.458 -5.239 1.00 0.49 H new ATOM 0 HG3 GLN A 32 1.026 -10.751 -5.129 1.00 0.49 H new ATOM 0 HE21 GLN A 32 -0.495 -10.447 -6.759 1.00 0.95 H new ATOM 0 HE22 GLN A 32 -0.237 -10.905 -8.446 1.00 0.95 H new ATOM 497 N MET A 33 5.649 -9.658 -4.306 1.00 0.40 N ATOM 498 CA MET A 33 7.085 -9.386 -4.127 1.00 0.43 C ATOM 499 C MET A 33 7.464 -9.110 -2.670 1.00 0.42 C ATOM 500 O MET A 33 8.450 -9.655 -2.183 1.00 0.51 O ATOM 501 CB MET A 33 7.498 -8.180 -4.989 1.00 0.47 C ATOM 502 CG MET A 33 7.576 -8.537 -6.475 1.00 0.58 C ATOM 503 SD MET A 33 7.829 -7.105 -7.555 1.00 1.59 S ATOM 504 CE MET A 33 7.917 -7.956 -9.150 1.00 1.87 C ATOM 0 H MET A 33 5.212 -8.997 -4.949 1.00 0.40 H new ATOM 0 HA MET A 33 7.615 -10.286 -4.439 1.00 0.43 H new ATOM 0 HB2 MET A 33 6.781 -7.371 -4.848 1.00 0.47 H new ATOM 0 HB3 MET A 33 8.467 -7.810 -4.654 1.00 0.47 H new ATOM 0 HG2 MET A 33 8.391 -9.244 -6.627 1.00 0.58 H new ATOM 0 HG3 MET A 33 6.656 -9.043 -6.767 1.00 0.58 H new ATOM 0 HE1 MET A 33 8.072 -7.226 -9.944 1.00 1.87 H new ATOM 0 HE2 MET A 33 8.747 -8.663 -9.140 1.00 1.87 H new ATOM 0 HE3 MET A 33 6.985 -8.493 -9.328 1.00 1.87 H new ATOM 514 N VAL A 34 6.669 -8.288 -1.976 1.00 0.35 N ATOM 515 CA VAL A 34 6.791 -8.003 -0.539 1.00 0.34 C ATOM 516 C VAL A 34 6.391 -9.194 0.346 1.00 0.36 C ATOM 517 O VAL A 34 6.619 -9.170 1.553 1.00 0.42 O ATOM 518 CB VAL A 34 5.942 -6.769 -0.199 1.00 0.35 C ATOM 519 CG1 VAL A 34 4.478 -7.120 -0.103 1.00 0.41 C ATOM 520 CG2 VAL A 34 6.369 -6.057 1.089 1.00 0.38 C ATOM 0 H VAL A 34 5.896 -7.785 -2.413 1.00 0.35 H new ATOM 0 HA VAL A 34 7.842 -7.809 -0.327 1.00 0.34 H new ATOM 0 HB VAL A 34 6.110 -6.078 -1.025 1.00 0.35 H new ATOM 0 HG11 VAL A 34 3.904 -6.225 0.139 1.00 0.41 H new ATOM 0 HG12 VAL A 34 4.137 -7.523 -1.057 1.00 0.41 H new ATOM 0 HG13 VAL A 34 4.333 -7.866 0.678 1.00 0.41 H new ATOM 0 HG21 VAL A 34 5.722 -5.197 1.261 1.00 0.38 H new ATOM 0 HG22 VAL A 34 6.287 -6.746 1.930 1.00 0.38 H new ATOM 0 HG23 VAL A 34 7.402 -5.721 0.994 1.00 0.38 H new ATOM 530 N GLY A 35 5.748 -10.220 -0.226 1.00 0.38 N ATOM 531 CA GLY A 35 5.270 -11.380 0.510 1.00 0.45 C ATOM 532 C GLY A 35 4.098 -11.113 1.458 1.00 0.43 C ATOM 533 O GLY A 35 3.837 -11.951 2.311 1.00 0.47 O ATOM 0 H GLY A 35 5.547 -10.261 -1.225 1.00 0.38 H new ATOM 0 HA2 GLY A 35 4.971 -12.146 -0.205 1.00 0.45 H new ATOM 0 HA3 GLY A 35 6.098 -11.790 1.088 1.00 0.45 H new ATOM 537 N LEU A 36 3.372 -9.995 1.336 1.00 0.41 N ATOM 538 CA LEU A 36 2.311 -9.587 2.269 1.00 0.45 C ATOM 539 C LEU A 36 1.238 -10.657 2.405 1.00 0.46 C ATOM 540 O LEU A 36 1.024 -11.212 3.478 1.00 0.48 O ATOM 541 CB LEU A 36 1.683 -8.253 1.822 1.00 0.49 C ATOM 542 CG LEU A 36 2.322 -7.024 2.469 1.00 0.59 C ATOM 543 CD1 LEU A 36 1.854 -5.726 1.806 1.00 0.50 C ATOM 544 CD2 LEU A 36 1.978 -6.971 3.937 1.00 1.07 C ATOM 0 H LEU A 36 3.507 -9.334 0.571 1.00 0.41 H new ATOM 0 HA LEU A 36 2.770 -9.452 3.248 1.00 0.45 H new ATOM 0 HB2 LEU A 36 1.767 -8.167 0.739 1.00 0.49 H new ATOM 0 HB3 LEU A 36 0.619 -8.265 2.059 1.00 0.49 H new ATOM 0 HG LEU A 36 3.400 -7.114 2.337 1.00 0.59 H new ATOM 0 HD11 LEU A 36 2.330 -4.876 2.294 1.00 0.50 H new ATOM 0 HD12 LEU A 36 2.126 -5.738 0.751 1.00 0.50 H new ATOM 0 HD13 LEU A 36 0.772 -5.639 1.901 1.00 0.50 H new ATOM 0 HD21 LEU A 36 2.439 -6.092 4.387 1.00 1.07 H new ATOM 0 HD22 LEU A 36 0.896 -6.915 4.055 1.00 1.07 H new ATOM 0 HD23 LEU A 36 2.351 -7.869 4.431 1.00 1.07 H new ATOM 556 N LYS A 37 0.642 -10.987 1.263 1.00 0.47 N ATOM 557 CA LYS A 37 -0.246 -12.147 1.046 1.00 0.47 C ATOM 558 C LYS A 37 0.329 -13.504 1.511 1.00 0.42 C ATOM 559 O LYS A 37 -0.442 -14.445 1.674 1.00 0.42 O ATOM 560 CB LYS A 37 -0.602 -12.254 -0.449 1.00 0.57 C ATOM 561 CG LYS A 37 -2.018 -11.752 -0.764 1.00 0.83 C ATOM 562 CD LYS A 37 -2.519 -12.296 -2.109 1.00 0.80 C ATOM 563 CE LYS A 37 -1.608 -11.962 -3.301 1.00 0.73 C ATOM 564 NZ LYS A 37 -1.752 -12.956 -4.392 1.00 1.01 N ATOM 0 H LYS A 37 0.765 -10.432 0.416 1.00 0.47 H new ATOM 0 HA LYS A 37 -1.123 -11.955 1.664 1.00 0.47 H new ATOM 0 HB2 LYS A 37 0.119 -11.680 -1.031 1.00 0.57 H new ATOM 0 HB3 LYS A 37 -0.512 -13.293 -0.765 1.00 0.57 H new ATOM 0 HG2 LYS A 37 -2.699 -12.058 0.030 1.00 0.83 H new ATOM 0 HG3 LYS A 37 -2.023 -10.662 -0.786 1.00 0.83 H new ATOM 0 HD2 LYS A 37 -2.620 -13.379 -2.035 1.00 0.80 H new ATOM 0 HD3 LYS A 37 -3.514 -11.895 -2.303 1.00 0.80 H new ATOM 0 HE2 LYS A 37 -1.851 -10.969 -3.678 1.00 0.73 H new ATOM 0 HE3 LYS A 37 -0.570 -11.932 -2.970 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 -0.873 -13.505 -4.479 1.00 1.01 H new ATOM 0 HZ2 LYS A 37 -2.541 -13.597 -4.175 1.00 1.01 H new ATOM 0 HZ3 LYS A 37 -1.942 -12.463 -5.288 1.00 1.01 H new ATOM 578 N LYS A 38 1.655 -13.629 1.680 1.00 0.42 N ATOM 579 CA LYS A 38 2.352 -14.823 2.193 1.00 0.41 C ATOM 580 C LYS A 38 2.461 -14.808 3.728 1.00 0.37 C ATOM 581 O LYS A 38 2.612 -15.871 4.327 1.00 0.41 O ATOM 582 CB LYS A 38 3.718 -14.984 1.468 1.00 0.49 C ATOM 583 CG LYS A 38 4.987 -14.963 2.352 1.00 1.32 C ATOM 584 CD LYS A 38 6.273 -14.828 1.520 1.00 1.33 C ATOM 585 CE LYS A 38 7.499 -14.697 2.435 1.00 1.87 C ATOM 586 NZ LYS A 38 8.693 -14.189 1.712 1.00 2.69 N ATOM 0 H LYS A 38 2.299 -12.871 1.454 1.00 0.42 H new ATOM 0 HA LYS A 38 1.761 -15.710 1.966 1.00 0.41 H new ATOM 0 HB2 LYS A 38 3.702 -15.926 0.920 1.00 0.49 H new ATOM 0 HB3 LYS A 38 3.806 -14.187 0.730 1.00 0.49 H new ATOM 0 HG2 LYS A 38 4.923 -14.133 3.056 1.00 1.32 H new ATOM 0 HG3 LYS A 38 5.032 -15.879 2.941 1.00 1.32 H new ATOM 0 HD2 LYS A 38 6.387 -15.698 0.873 1.00 1.33 H new ATOM 0 HD3 LYS A 38 6.202 -13.955 0.871 1.00 1.33 H new ATOM 0 HE2 LYS A 38 7.263 -14.024 3.260 1.00 1.87 H new ATOM 0 HE3 LYS A 38 7.728 -15.669 2.872 1.00 1.87 H new ATOM 0 HZ1 LYS A 38 9.547 -14.650 2.086 1.00 2.69 H new ATOM 0 HZ2 LYS A 38 8.601 -14.401 0.698 1.00 2.69 H new ATOM 0 HZ3 LYS A 38 8.768 -13.160 1.845 1.00 2.69 H new ATOM 600 N LYS A 39 2.378 -13.631 4.366 1.00 0.41 N ATOM 601 CA LYS A 39 2.248 -13.483 5.819 1.00 0.44 C ATOM 602 C LYS A 39 0.782 -13.655 6.250 1.00 0.38 C ATOM 603 O LYS A 39 -0.134 -13.700 5.430 1.00 0.34 O ATOM 604 CB LYS A 39 2.770 -12.107 6.281 1.00 0.60 C ATOM 605 CG LYS A 39 4.176 -11.704 5.805 1.00 0.86 C ATOM 606 CD LYS A 39 5.321 -12.680 6.100 1.00 0.70 C ATOM 607 CE LYS A 39 5.478 -12.926 7.603 1.00 1.81 C ATOM 608 NZ LYS A 39 6.903 -13.064 7.985 1.00 2.17 N ATOM 0 H LYS A 39 2.400 -12.738 3.874 1.00 0.41 H new ATOM 0 HA LYS A 39 2.850 -14.260 6.289 1.00 0.44 H new ATOM 0 HB2 LYS A 39 2.066 -11.346 5.944 1.00 0.60 H new ATOM 0 HB3 LYS A 39 2.762 -12.089 7.371 1.00 0.60 H new ATOM 0 HG2 LYS A 39 4.136 -11.546 4.727 1.00 0.86 H new ATOM 0 HG3 LYS A 39 4.424 -10.745 6.259 1.00 0.86 H new ATOM 0 HD2 LYS A 39 5.133 -13.627 5.593 1.00 0.70 H new ATOM 0 HD3 LYS A 39 6.252 -12.282 5.696 1.00 0.70 H new ATOM 0 HE2 LYS A 39 5.030 -12.101 8.157 1.00 1.81 H new ATOM 0 HE3 LYS A 39 4.936 -13.829 7.883 1.00 1.81 H new ATOM 0 HZ1 LYS A 39 6.989 -13.748 8.764 1.00 2.17 H new ATOM 0 HZ2 LYS A 39 7.451 -13.400 7.167 1.00 2.17 H new ATOM 0 HZ3 LYS A 39 7.271 -12.141 8.292 1.00 2.17 H new ATOM 622 N SER A 40 0.566 -13.740 7.562 1.00 0.43 N ATOM 623 CA SER A 40 -0.756 -13.886 8.173 1.00 0.37 C ATOM 624 C SER A 40 -1.607 -12.613 8.060 1.00 0.39 C ATOM 625 O SER A 40 -1.087 -11.498 7.969 1.00 0.50 O ATOM 626 CB SER A 40 -0.584 -14.240 9.655 1.00 0.43 C ATOM 627 OG SER A 40 0.235 -15.385 9.790 1.00 1.69 O ATOM 0 H SER A 40 1.322 -13.709 8.246 1.00 0.43 H new ATOM 0 HA SER A 40 -1.278 -14.677 7.634 1.00 0.37 H new ATOM 0 HB2 SER A 40 -0.139 -13.400 10.188 1.00 0.43 H new ATOM 0 HB3 SER A 40 -1.558 -14.425 10.108 1.00 0.43 H new ATOM 0 HG SER A 40 0.340 -15.602 10.740 1.00 1.69 H new ATOM 633 N ALA A 41 -2.931 -12.766 8.205 1.00 0.42 N ATOM 634 CA ALA A 41 -3.875 -11.653 8.340 1.00 0.53 C ATOM 635 C ALA A 41 -3.477 -10.678 9.450 1.00 0.56 C ATOM 636 O ALA A 41 -3.560 -9.468 9.253 1.00 0.60 O ATOM 637 CB ALA A 41 -5.270 -12.217 8.613 1.00 0.65 C ATOM 0 H ALA A 41 -3.381 -13.681 8.232 1.00 0.42 H new ATOM 0 HA ALA A 41 -3.866 -11.089 7.407 1.00 0.53 H new ATOM 0 HB1 ALA A 41 -5.980 -11.397 8.715 1.00 0.65 H new ATOM 0 HB2 ALA A 41 -5.572 -12.858 7.784 1.00 0.65 H new ATOM 0 HB3 ALA A 41 -5.253 -12.799 9.534 1.00 0.65 H new ATOM 643 N ASP A 42 -2.990 -11.195 10.584 1.00 0.59 N ATOM 644 CA ASP A 42 -2.497 -10.388 11.696 1.00 0.67 C ATOM 645 C ASP A 42 -1.337 -9.457 11.328 1.00 0.59 C ATOM 646 O ASP A 42 -1.170 -8.405 11.954 1.00 0.72 O ATOM 647 CB ASP A 42 -2.080 -11.299 12.857 1.00 0.85 C ATOM 648 CG ASP A 42 -3.306 -11.771 13.627 1.00 1.47 C ATOM 649 OD1 ASP A 42 -3.942 -12.730 13.146 1.00 2.84 O ATOM 650 OD2 ASP A 42 -3.622 -11.105 14.642 1.00 2.20 O ATOM 0 H ASP A 42 -2.928 -12.199 10.753 1.00 0.59 H new ATOM 0 HA ASP A 42 -3.325 -9.742 11.989 1.00 0.67 H new ATOM 0 HB2 ASP A 42 -1.530 -12.159 12.474 1.00 0.85 H new ATOM 0 HB3 ASP A 42 -1.407 -10.762 13.526 1.00 0.85 H new ATOM 655 N ASP A 43 -0.564 -9.826 10.304 1.00 0.50 N ATOM 656 CA ASP A 43 0.485 -8.994 9.740 1.00 0.47 C ATOM 657 C ASP A 43 -0.148 -7.931 8.836 1.00 0.39 C ATOM 658 O ASP A 43 -0.031 -6.739 9.105 1.00 0.41 O ATOM 659 CB ASP A 43 1.503 -9.879 8.998 1.00 0.50 C ATOM 660 CG ASP A 43 2.918 -9.305 9.034 1.00 0.99 C ATOM 661 OD1 ASP A 43 3.052 -8.078 9.246 1.00 2.18 O ATOM 662 OD2 ASP A 43 3.854 -10.119 8.869 1.00 1.84 O ATOM 0 H ASP A 43 -0.657 -10.729 9.840 1.00 0.50 H new ATOM 0 HA ASP A 43 1.030 -8.472 10.526 1.00 0.47 H new ATOM 0 HB2 ASP A 43 1.507 -10.874 9.444 1.00 0.50 H new ATOM 0 HB3 ASP A 43 1.189 -9.996 7.961 1.00 0.50 H new ATOM 667 N VAL A 44 -0.920 -8.346 7.824 1.00 0.40 N ATOM 668 CA VAL A 44 -1.643 -7.469 6.899 1.00 0.41 C ATOM 669 C VAL A 44 -2.481 -6.395 7.624 1.00 0.37 C ATOM 670 O VAL A 44 -2.429 -5.228 7.226 1.00 0.39 O ATOM 671 CB VAL A 44 -2.432 -8.369 5.930 1.00 0.52 C ATOM 672 CG1 VAL A 44 -3.695 -7.733 5.376 1.00 0.86 C ATOM 673 CG2 VAL A 44 -1.551 -8.787 4.743 1.00 0.81 C ATOM 0 H VAL A 44 -1.062 -9.335 7.621 1.00 0.40 H new ATOM 0 HA VAL A 44 -0.947 -6.866 6.315 1.00 0.41 H new ATOM 0 HB VAL A 44 -2.731 -9.230 6.528 1.00 0.52 H new ATOM 0 HG11 VAL A 44 -4.190 -8.433 4.703 1.00 0.86 H new ATOM 0 HG12 VAL A 44 -4.367 -7.483 6.197 1.00 0.86 H new ATOM 0 HG13 VAL A 44 -3.436 -6.826 4.830 1.00 0.86 H new ATOM 0 HG21 VAL A 44 -2.126 -9.422 4.069 1.00 0.81 H new ATOM 0 HG22 VAL A 44 -1.217 -7.899 4.207 1.00 0.81 H new ATOM 0 HG23 VAL A 44 -0.684 -9.337 5.109 1.00 0.81 H new ATOM 683 N LYS A 45 -3.147 -6.744 8.741 1.00 0.39 N ATOM 684 CA LYS A 45 -3.780 -5.852 9.720 1.00 0.47 C ATOM 685 C LYS A 45 -2.863 -4.669 10.064 1.00 0.54 C ATOM 686 O LYS A 45 -3.265 -3.511 9.952 1.00 0.75 O ATOM 687 CB LYS A 45 -4.242 -6.701 10.935 1.00 0.54 C ATOM 688 CG LYS A 45 -4.016 -6.012 12.283 1.00 1.83 C ATOM 689 CD LYS A 45 -4.650 -6.667 13.519 1.00 2.16 C ATOM 690 CE LYS A 45 -4.086 -8.072 13.731 1.00 3.99 C ATOM 691 NZ LYS A 45 -4.268 -8.584 15.107 1.00 5.04 N ATOM 0 H LYS A 45 -3.263 -7.725 8.997 1.00 0.39 H new ATOM 0 HA LYS A 45 -4.672 -5.383 9.305 1.00 0.47 H new ATOM 0 HB2 LYS A 45 -5.302 -6.930 10.826 1.00 0.54 H new ATOM 0 HB3 LYS A 45 -3.708 -7.651 10.928 1.00 0.54 H new ATOM 0 HG2 LYS A 45 -2.941 -5.942 12.451 1.00 1.83 H new ATOM 0 HG3 LYS A 45 -4.394 -4.992 12.209 1.00 1.83 H new ATOM 0 HD2 LYS A 45 -4.458 -6.055 14.400 1.00 2.16 H new ATOM 0 HD3 LYS A 45 -5.732 -6.718 13.396 1.00 2.16 H new ATOM 0 HE2 LYS A 45 -4.566 -8.756 13.032 1.00 3.99 H new ATOM 0 HE3 LYS A 45 -3.022 -8.067 13.492 1.00 3.99 H new ATOM 0 HZ1 LYS A 45 -4.202 -9.622 15.103 1.00 5.04 H new ATOM 0 HZ2 LYS A 45 -3.528 -8.193 15.724 1.00 5.04 H new ATOM 0 HZ3 LYS A 45 -5.202 -8.298 15.463 1.00 5.04 H new ATOM 705 N LYS A 46 -1.633 -4.965 10.497 1.00 0.46 N ATOM 706 CA LYS A 46 -0.623 -3.996 10.935 1.00 0.55 C ATOM 707 C LYS A 46 -0.024 -3.224 9.781 1.00 0.60 C ATOM 708 O LYS A 46 0.397 -2.084 9.949 1.00 0.73 O ATOM 709 CB LYS A 46 0.483 -4.727 11.707 1.00 0.57 C ATOM 710 CG LYS A 46 1.842 -4.945 11.025 1.00 2.71 C ATOM 711 CD LYS A 46 2.727 -5.956 11.753 1.00 3.49 C ATOM 712 CE LYS A 46 2.965 -5.622 13.234 1.00 4.04 C ATOM 713 NZ LYS A 46 1.995 -6.321 14.111 1.00 3.61 N ATOM 0 H LYS A 46 -1.300 -5.927 10.554 1.00 0.46 H new ATOM 0 HA LYS A 46 -1.118 -3.271 11.581 1.00 0.55 H new ATOM 0 HB2 LYS A 46 0.662 -4.175 12.630 1.00 0.57 H new ATOM 0 HB3 LYS A 46 0.096 -5.705 11.991 1.00 0.57 H new ATOM 0 HG2 LYS A 46 1.677 -5.286 10.003 1.00 2.71 H new ATOM 0 HG3 LYS A 46 2.367 -3.992 10.962 1.00 2.71 H new ATOM 0 HD2 LYS A 46 2.269 -6.943 11.682 1.00 3.49 H new ATOM 0 HD3 LYS A 46 3.689 -6.014 11.245 1.00 3.49 H new ATOM 0 HE2 LYS A 46 3.980 -5.905 13.514 1.00 4.04 H new ATOM 0 HE3 LYS A 46 2.882 -4.545 13.383 1.00 4.04 H new ATOM 0 HZ1 LYS A 46 1.602 -5.648 14.800 1.00 3.61 H new ATOM 0 HZ2 LYS A 46 1.225 -6.714 13.533 1.00 3.61 H new ATOM 0 HZ3 LYS A 46 2.477 -7.092 14.616 1.00 3.61 H new ATOM 727 N VAL A 47 0.061 -3.885 8.632 1.00 0.46 N ATOM 728 CA VAL A 47 0.732 -3.341 7.466 1.00 0.39 C ATOM 729 C VAL A 47 -0.025 -2.097 7.023 1.00 0.38 C ATOM 730 O VAL A 47 0.540 -1.007 6.994 1.00 0.39 O ATOM 731 CB VAL A 47 0.806 -4.385 6.340 1.00 0.48 C ATOM 732 CG1 VAL A 47 1.215 -3.797 4.979 1.00 0.57 C ATOM 733 CG2 VAL A 47 1.763 -5.514 6.742 1.00 0.61 C ATOM 0 H VAL A 47 -0.335 -4.814 8.487 1.00 0.46 H new ATOM 0 HA VAL A 47 1.759 -3.074 7.714 1.00 0.39 H new ATOM 0 HB VAL A 47 -0.203 -4.775 6.209 1.00 0.48 H new ATOM 0 HG11 VAL A 47 1.246 -4.592 4.234 1.00 0.57 H new ATOM 0 HG12 VAL A 47 0.489 -3.043 4.675 1.00 0.57 H new ATOM 0 HG13 VAL A 47 2.201 -3.339 5.062 1.00 0.57 H new ATOM 0 HG21 VAL A 47 1.812 -6.252 5.941 1.00 0.61 H new ATOM 0 HG22 VAL A 47 2.757 -5.103 6.918 1.00 0.61 H new ATOM 0 HG23 VAL A 47 1.401 -5.991 7.653 1.00 0.61 H new ATOM 743 N PHE A 48 -1.330 -2.251 6.774 1.00 0.40 N ATOM 744 CA PHE A 48 -2.256 -1.156 6.538 1.00 0.40 C ATOM 745 C PHE A 48 -2.182 -0.069 7.623 1.00 0.33 C ATOM 746 O PHE A 48 -2.116 1.121 7.318 1.00 0.32 O ATOM 747 CB PHE A 48 -3.639 -1.787 6.458 1.00 0.53 C ATOM 748 CG PHE A 48 -4.748 -0.775 6.406 1.00 0.53 C ATOM 749 CD1 PHE A 48 -5.014 -0.107 5.203 1.00 2.21 C ATOM 750 CD2 PHE A 48 -5.518 -0.519 7.557 1.00 1.76 C ATOM 751 CE1 PHE A 48 -6.058 0.823 5.154 1.00 2.22 C ATOM 752 CE2 PHE A 48 -6.589 0.381 7.488 1.00 1.84 C ATOM 753 CZ PHE A 48 -6.853 1.054 6.285 1.00 0.83 C ATOM 0 H PHE A 48 -1.776 -3.168 6.732 1.00 0.40 H new ATOM 0 HA PHE A 48 -2.003 -0.634 5.615 1.00 0.40 H new ATOM 0 HB2 PHE A 48 -3.692 -2.420 5.573 1.00 0.53 H new ATOM 0 HB3 PHE A 48 -3.787 -2.434 7.322 1.00 0.53 H new ATOM 0 HD1 PHE A 48 -4.420 -0.308 4.324 1.00 2.21 H new ATOM 0 HD2 PHE A 48 -5.284 -1.014 8.488 1.00 1.76 H new ATOM 0 HE1 PHE A 48 -6.252 1.365 4.241 1.00 2.22 H new ATOM 0 HE2 PHE A 48 -7.208 0.556 8.355 1.00 1.84 H new ATOM 0 HZ PHE A 48 -7.674 1.754 6.230 1.00 0.83 H new ATOM 763 N HIS A 49 -2.112 -0.484 8.893 1.00 0.36 N ATOM 764 CA HIS A 49 -1.941 0.398 10.048 1.00 0.41 C ATOM 765 C HIS A 49 -0.674 1.278 9.965 1.00 0.42 C ATOM 766 O HIS A 49 -0.643 2.331 10.594 1.00 0.64 O ATOM 767 CB HIS A 49 -1.939 -0.484 11.315 1.00 0.54 C ATOM 768 CG HIS A 49 -2.567 0.058 12.572 1.00 1.06 C ATOM 769 ND1 HIS A 49 -2.448 -0.533 13.812 1.00 1.98 N ATOM 770 CD2 HIS A 49 -3.447 1.098 12.697 1.00 2.38 C ATOM 771 CE1 HIS A 49 -3.232 0.138 14.669 1.00 2.42 C ATOM 772 NE2 HIS A 49 -3.811 1.174 14.047 1.00 2.71 N ATOM 0 H HIS A 49 -2.175 -1.469 9.150 1.00 0.36 H new ATOM 0 HA HIS A 49 -2.768 1.108 10.074 1.00 0.41 H new ATOM 0 HB2 HIS A 49 -2.444 -1.418 11.069 1.00 0.54 H new ATOM 0 HB3 HIS A 49 -0.903 -0.733 11.543 1.00 0.54 H new ATOM 0 HD2 HIS A 49 -3.796 1.741 11.902 1.00 2.38 H new ATOM 0 HE1 HIS A 49 -3.376 -0.119 15.708 1.00 2.42 H new ATOM 0 HE2 HIS A 49 -4.405 1.884 14.476 1.00 2.71 H new ATOM 780 N MET A 50 0.355 0.886 9.195 1.00 0.33 N ATOM 781 CA MET A 50 1.572 1.673 8.951 1.00 0.43 C ATOM 782 C MET A 50 1.412 2.692 7.803 1.00 0.38 C ATOM 783 O MET A 50 2.106 3.706 7.784 1.00 0.44 O ATOM 784 CB MET A 50 2.729 0.701 8.651 1.00 0.52 C ATOM 785 CG MET A 50 4.128 1.299 8.844 1.00 0.68 C ATOM 786 SD MET A 50 4.606 1.644 10.561 1.00 1.18 S ATOM 787 CE MET A 50 4.378 3.445 10.596 1.00 2.10 C ATOM 0 H MET A 50 0.362 -0.013 8.712 1.00 0.33 H new ATOM 0 HA MET A 50 1.781 2.259 9.846 1.00 0.43 H new ATOM 0 HB2 MET A 50 2.629 -0.173 9.295 1.00 0.52 H new ATOM 0 HB3 MET A 50 2.636 0.351 7.623 1.00 0.52 H new ATOM 0 HG2 MET A 50 4.858 0.614 8.413 1.00 0.68 H new ATOM 0 HG3 MET A 50 4.188 2.227 8.276 1.00 0.68 H new ATOM 0 HE1 MET A 50 4.120 3.759 11.607 1.00 2.10 H new ATOM 0 HE2 MET A 50 5.302 3.935 10.288 1.00 2.10 H new ATOM 0 HE3 MET A 50 3.575 3.723 9.913 1.00 2.10 H new ATOM 797 N LEU A 51 0.496 2.432 6.859 1.00 0.40 N ATOM 798 CA LEU A 51 0.105 3.318 5.750 1.00 0.38 C ATOM 799 C LEU A 51 -0.731 4.494 6.276 1.00 0.39 C ATOM 800 O LEU A 51 -0.504 5.643 5.897 1.00 0.44 O ATOM 801 CB LEU A 51 -0.703 2.506 4.719 1.00 0.46 C ATOM 802 CG LEU A 51 -0.079 1.168 4.272 1.00 0.69 C ATOM 803 CD1 LEU A 51 -0.925 0.496 3.189 1.00 2.04 C ATOM 804 CD2 LEU A 51 1.358 1.310 3.777 1.00 1.91 C ATOM 0 H LEU A 51 -0.020 1.552 6.847 1.00 0.40 H new ATOM 0 HA LEU A 51 0.999 3.722 5.275 1.00 0.38 H new ATOM 0 HB2 LEU A 51 -1.688 2.302 5.138 1.00 0.46 H new ATOM 0 HB3 LEU A 51 -0.854 3.126 3.836 1.00 0.46 H new ATOM 0 HG LEU A 51 -0.060 0.542 5.164 1.00 0.69 H new ATOM 0 HD11 LEU A 51 -0.459 -0.445 2.895 1.00 2.04 H new ATOM 0 HD12 LEU A 51 -1.924 0.300 3.577 1.00 2.04 H new ATOM 0 HD13 LEU A 51 -0.995 1.153 2.322 1.00 2.04 H new ATOM 0 HD21 LEU A 51 1.738 0.333 3.478 1.00 1.91 H new ATOM 0 HD22 LEU A 51 1.383 1.986 2.923 1.00 1.91 H new ATOM 0 HD23 LEU A 51 1.980 1.712 4.577 1.00 1.91 H new ATOM 816 N ASP A 52 -1.668 4.207 7.189 1.00 0.42 N ATOM 817 CA ASP A 52 -2.423 5.184 7.978 1.00 0.50 C ATOM 818 C ASP A 52 -1.500 5.959 8.946 1.00 0.54 C ATOM 819 O ASP A 52 -1.555 5.773 10.162 1.00 0.77 O ATOM 820 CB ASP A 52 -3.592 4.462 8.697 1.00 0.62 C ATOM 821 CG ASP A 52 -4.940 4.804 8.078 1.00 1.10 C ATOM 822 OD1 ASP A 52 -5.227 4.306 6.977 1.00 2.85 O ATOM 823 OD2 ASP A 52 -5.715 5.565 8.708 1.00 1.30 O ATOM 0 H ASP A 52 -1.930 3.245 7.406 1.00 0.42 H new ATOM 0 HA ASP A 52 -2.852 5.939 7.319 1.00 0.50 H new ATOM 0 HB2 ASP A 52 -3.435 3.384 8.652 1.00 0.62 H new ATOM 0 HB3 ASP A 52 -3.596 4.740 9.751 1.00 0.62 H new ATOM 828 N LYS A 53 -0.666 6.879 8.434 1.00 0.61 N ATOM 829 CA LYS A 53 0.196 7.736 9.280 1.00 0.69 C ATOM 830 C LYS A 53 -0.573 8.515 10.360 1.00 0.83 C ATOM 831 O LYS A 53 -0.007 8.872 11.388 1.00 1.43 O ATOM 832 CB LYS A 53 1.096 8.657 8.454 1.00 0.89 C ATOM 833 CG LYS A 53 0.295 9.779 7.798 1.00 2.25 C ATOM 834 CD LYS A 53 1.182 10.877 7.215 1.00 3.13 C ATOM 835 CE LYS A 53 1.718 11.789 8.330 1.00 3.95 C ATOM 836 NZ LYS A 53 2.023 13.148 7.827 1.00 5.45 N ATOM 0 H LYS A 53 -0.567 7.052 7.434 1.00 0.61 H new ATOM 0 HA LYS A 53 0.843 7.042 9.816 1.00 0.69 H new ATOM 0 HB2 LYS A 53 1.867 9.085 9.095 1.00 0.89 H new ATOM 0 HB3 LYS A 53 1.607 8.076 7.686 1.00 0.89 H new ATOM 0 HG2 LYS A 53 -0.326 9.361 7.006 1.00 2.25 H new ATOM 0 HG3 LYS A 53 -0.380 10.216 8.534 1.00 2.25 H new ATOM 0 HD2 LYS A 53 2.015 10.429 6.672 1.00 3.13 H new ATOM 0 HD3 LYS A 53 0.614 11.468 6.496 1.00 3.13 H new ATOM 0 HE2 LYS A 53 0.982 11.854 9.132 1.00 3.95 H new ATOM 0 HE3 LYS A 53 2.618 11.349 8.759 1.00 3.95 H new ATOM 0 HZ1 LYS A 53 2.382 13.734 8.607 1.00 5.45 H new ATOM 0 HZ2 LYS A 53 2.743 13.088 7.079 1.00 5.45 H new ATOM 0 HZ3 LYS A 53 1.158 13.577 7.441 1.00 5.45 H new ATOM 850 N ASP A 54 -1.856 8.781 10.105 1.00 0.67 N ATOM 851 CA ASP A 54 -2.801 9.478 10.970 1.00 0.74 C ATOM 852 C ASP A 54 -3.601 8.533 11.883 1.00 0.78 C ATOM 853 O ASP A 54 -4.363 9.006 12.721 1.00 1.09 O ATOM 854 CB ASP A 54 -3.758 10.258 10.061 1.00 0.88 C ATOM 855 CG ASP A 54 -4.669 9.327 9.255 1.00 1.08 C ATOM 856 OD1 ASP A 54 -4.227 8.424 8.508 1.00 2.79 O ATOM 857 OD2 ASP A 54 -5.911 9.438 9.300 1.00 1.61 O ATOM 0 H ASP A 54 -2.288 8.494 9.227 1.00 0.67 H new ATOM 0 HA ASP A 54 -2.242 10.135 11.637 1.00 0.74 H new ATOM 0 HB2 ASP A 54 -4.368 10.928 10.667 1.00 0.88 H new ATOM 0 HB3 ASP A 54 -3.182 10.882 9.378 1.00 0.88 H new ATOM 862 N LYS A 55 -3.447 7.209 11.716 1.00 0.73 N ATOM 863 CA LYS A 55 -4.146 6.156 12.461 1.00 0.85 C ATOM 864 C LYS A 55 -5.681 6.302 12.505 1.00 0.89 C ATOM 865 O LYS A 55 -6.310 5.907 13.484 1.00 1.35 O ATOM 866 CB LYS A 55 -3.479 5.992 13.846 1.00 1.10 C ATOM 867 CG LYS A 55 -2.036 5.453 13.783 1.00 1.47 C ATOM 868 CD LYS A 55 -1.996 4.074 13.109 1.00 1.96 C ATOM 869 CE LYS A 55 -0.782 3.228 13.494 1.00 2.11 C ATOM 870 NZ LYS A 55 -0.965 2.631 14.833 1.00 3.04 N ATOM 0 H LYS A 55 -2.801 6.829 11.025 1.00 0.73 H new ATOM 0 HA LYS A 55 -4.031 5.222 11.910 1.00 0.85 H new ATOM 0 HB2 LYS A 55 -3.474 6.957 14.353 1.00 1.10 H new ATOM 0 HB3 LYS A 55 -4.083 5.316 14.452 1.00 1.10 H new ATOM 0 HG2 LYS A 55 -1.407 6.151 13.231 1.00 1.47 H new ATOM 0 HG3 LYS A 55 -1.626 5.382 14.790 1.00 1.47 H new ATOM 0 HD2 LYS A 55 -2.903 3.528 13.368 1.00 1.96 H new ATOM 0 HD3 LYS A 55 -2.003 4.209 12.027 1.00 1.96 H new ATOM 0 HE2 LYS A 55 -0.633 2.440 12.756 1.00 2.11 H new ATOM 0 HE3 LYS A 55 0.116 3.846 13.486 1.00 2.11 H new ATOM 0 HZ1 LYS A 55 -0.457 1.725 14.881 1.00 3.04 H new ATOM 0 HZ2 LYS A 55 -0.589 3.278 15.556 1.00 3.04 H new ATOM 0 HZ3 LYS A 55 -1.978 2.470 15.006 1.00 3.04 H new ATOM 884 N SER A 56 -6.300 6.772 11.411 1.00 0.60 N ATOM 885 CA SER A 56 -7.763 6.706 11.229 1.00 0.64 C ATOM 886 C SER A 56 -8.271 5.268 11.066 1.00 0.55 C ATOM 887 O SER A 56 -9.405 4.972 11.438 1.00 0.68 O ATOM 888 CB SER A 56 -8.225 7.460 9.975 1.00 1.00 C ATOM 889 OG SER A 56 -8.067 8.856 10.078 1.00 1.56 O ATOM 0 H SER A 56 -5.807 7.206 10.631 1.00 0.60 H new ATOM 0 HA SER A 56 -8.169 7.160 12.133 1.00 0.64 H new ATOM 0 HB2 SER A 56 -7.662 7.100 9.114 1.00 1.00 H new ATOM 0 HB3 SER A 56 -9.274 7.232 9.788 1.00 1.00 H new ATOM 0 HG SER A 56 -7.341 9.148 9.488 1.00 1.56 H new ATOM 895 N GLY A 57 -7.463 4.398 10.449 1.00 0.58 N ATOM 896 CA GLY A 57 -7.877 3.083 9.962 1.00 0.66 C ATOM 897 C GLY A 57 -8.464 3.123 8.543 1.00 0.48 C ATOM 898 O GLY A 57 -9.203 2.212 8.180 1.00 0.43 O ATOM 0 H GLY A 57 -6.478 4.597 10.272 1.00 0.58 H new ATOM 0 HA2 GLY A 57 -7.019 2.411 9.975 1.00 0.66 H new ATOM 0 HA3 GLY A 57 -8.618 2.667 10.644 1.00 0.66 H new ATOM 902 N PHE A 58 -8.158 4.167 7.759 1.00 0.46 N ATOM 903 CA PHE A 58 -8.675 4.433 6.409 1.00 0.37 C ATOM 904 C PHE A 58 -7.665 5.278 5.627 1.00 0.40 C ATOM 905 O PHE A 58 -7.376 6.409 6.035 1.00 0.67 O ATOM 906 CB PHE A 58 -10.014 5.181 6.502 1.00 0.39 C ATOM 907 CG PHE A 58 -11.130 4.419 7.190 1.00 0.52 C ATOM 908 CD1 PHE A 58 -11.724 3.316 6.546 1.00 2.25 C ATOM 909 CD2 PHE A 58 -11.552 4.784 8.483 1.00 1.55 C ATOM 910 CE1 PHE A 58 -12.731 2.578 7.193 1.00 2.50 C ATOM 911 CE2 PHE A 58 -12.559 4.046 9.130 1.00 1.51 C ATOM 912 CZ PHE A 58 -13.148 2.943 8.485 1.00 1.17 C ATOM 0 H PHE A 58 -7.507 4.889 8.067 1.00 0.46 H new ATOM 0 HA PHE A 58 -8.829 3.486 5.892 1.00 0.37 H new ATOM 0 HB2 PHE A 58 -9.853 6.118 7.035 1.00 0.39 H new ATOM 0 HB3 PHE A 58 -10.339 5.439 5.494 1.00 0.39 H new ATOM 0 HD1 PHE A 58 -11.405 3.036 5.553 1.00 2.25 H new ATOM 0 HD2 PHE A 58 -11.102 5.632 8.978 1.00 1.55 H new ATOM 0 HE1 PHE A 58 -13.184 1.732 6.698 1.00 2.50 H new ATOM 0 HE2 PHE A 58 -12.880 4.326 10.122 1.00 1.51 H new ATOM 0 HZ PHE A 58 -13.921 2.376 8.983 1.00 1.17 H new ATOM 922 N ILE A 59 -7.149 4.755 4.505 1.00 0.31 N ATOM 923 CA ILE A 59 -6.231 5.513 3.638 1.00 0.35 C ATOM 924 C ILE A 59 -7.062 6.315 2.636 1.00 0.33 C ATOM 925 O ILE A 59 -7.864 5.756 1.884 1.00 0.38 O ATOM 926 CB ILE A 59 -5.234 4.610 2.894 1.00 0.43 C ATOM 927 CG1 ILE A 59 -4.424 3.711 3.845 1.00 0.72 C ATOM 928 CG2 ILE A 59 -4.244 5.411 2.026 1.00 0.57 C ATOM 929 CD1 ILE A 59 -3.759 2.568 3.081 1.00 0.93 C ATOM 0 H ILE A 59 -7.351 3.811 4.176 1.00 0.31 H new ATOM 0 HA ILE A 59 -5.637 6.175 4.269 1.00 0.35 H new ATOM 0 HB ILE A 59 -5.855 3.986 2.251 1.00 0.43 H new ATOM 0 HG12 ILE A 59 -3.664 4.304 4.353 1.00 0.72 H new ATOM 0 HG13 ILE A 59 -5.080 3.306 4.615 1.00 0.72 H new ATOM 0 HG21 ILE A 59 -3.563 4.724 1.523 1.00 0.57 H new ATOM 0 HG22 ILE A 59 -4.795 5.986 1.282 1.00 0.57 H new ATOM 0 HG23 ILE A 59 -3.673 6.090 2.659 1.00 0.57 H new ATOM 0 HD11 ILE A 59 -3.193 1.947 3.775 1.00 0.93 H new ATOM 0 HD12 ILE A 59 -4.523 1.963 2.594 1.00 0.93 H new ATOM 0 HD13 ILE A 59 -3.086 2.977 2.328 1.00 0.93 H new ATOM 941 N GLU A 60 -6.816 7.622 2.626 1.00 0.35 N ATOM 942 CA GLU A 60 -7.443 8.659 1.804 1.00 0.37 C ATOM 943 C GLU A 60 -6.374 9.530 1.125 1.00 0.33 C ATOM 944 O GLU A 60 -5.185 9.354 1.398 1.00 0.31 O ATOM 945 CB GLU A 60 -8.418 9.491 2.653 1.00 0.62 C ATOM 946 CG GLU A 60 -7.818 10.207 3.873 1.00 1.31 C ATOM 947 CD GLU A 60 -8.809 10.149 5.047 1.00 1.13 C ATOM 948 OE1 GLU A 60 -9.964 10.608 4.880 1.00 2.15 O ATOM 949 OE2 GLU A 60 -8.436 9.549 6.082 1.00 1.22 O ATOM 0 H GLU A 60 -6.111 8.020 3.247 1.00 0.35 H new ATOM 0 HA GLU A 60 -8.021 8.187 1.010 1.00 0.37 H new ATOM 0 HB2 GLU A 60 -8.879 10.240 2.009 1.00 0.62 H new ATOM 0 HB3 GLU A 60 -9.216 8.834 3.000 1.00 0.62 H new ATOM 0 HG2 GLU A 60 -6.876 9.737 4.156 1.00 1.31 H new ATOM 0 HG3 GLU A 60 -7.594 11.244 3.624 1.00 1.31 H new ATOM 956 N GLU A 61 -6.794 10.442 0.232 1.00 0.44 N ATOM 957 CA GLU A 61 -5.940 11.198 -0.705 1.00 0.54 C ATOM 958 C GLU A 61 -4.668 11.811 -0.080 1.00 0.49 C ATOM 959 O GLU A 61 -3.599 11.730 -0.689 1.00 0.49 O ATOM 960 CB GLU A 61 -6.790 12.174 -1.536 1.00 0.74 C ATOM 961 CG GLU A 61 -7.447 13.338 -0.782 1.00 1.50 C ATOM 962 CD GLU A 61 -6.535 14.563 -0.672 1.00 2.72 C ATOM 963 OE1 GLU A 61 -6.188 15.118 -1.739 1.00 3.11 O ATOM 964 OE2 GLU A 61 -6.214 14.933 0.478 1.00 4.16 O ATOM 0 H GLU A 61 -7.780 10.684 0.138 1.00 0.44 H new ATOM 0 HA GLU A 61 -5.512 10.475 -1.400 1.00 0.54 H new ATOM 0 HB2 GLU A 61 -6.158 12.591 -2.320 1.00 0.74 H new ATOM 0 HB3 GLU A 61 -7.576 11.603 -2.030 1.00 0.74 H new ATOM 0 HG2 GLU A 61 -8.368 13.621 -1.291 1.00 1.50 H new ATOM 0 HG3 GLU A 61 -7.725 13.006 0.218 1.00 1.50 H new ATOM 971 N ASP A 62 -4.769 12.299 1.164 1.00 0.49 N ATOM 972 CA ASP A 62 -3.681 12.792 2.018 1.00 0.56 C ATOM 973 C ASP A 62 -2.519 11.784 2.126 1.00 0.48 C ATOM 974 O ASP A 62 -1.389 12.091 1.744 1.00 0.59 O ATOM 975 CB ASP A 62 -4.284 13.140 3.397 1.00 0.69 C ATOM 976 CG ASP A 62 -3.372 13.987 4.301 1.00 1.78 C ATOM 977 OD1 ASP A 62 -2.173 13.649 4.435 1.00 3.10 O ATOM 978 OD2 ASP A 62 -3.890 14.972 4.871 1.00 2.46 O ATOM 0 H ASP A 62 -5.674 12.364 1.631 1.00 0.49 H new ATOM 0 HA ASP A 62 -3.240 13.684 1.573 1.00 0.56 H new ATOM 0 HB2 ASP A 62 -5.221 13.676 3.244 1.00 0.69 H new ATOM 0 HB3 ASP A 62 -4.528 12.213 3.916 1.00 0.69 H new ATOM 983 N GLU A 63 -2.793 10.555 2.589 1.00 0.43 N ATOM 984 CA GLU A 63 -1.775 9.502 2.665 1.00 0.46 C ATOM 985 C GLU A 63 -1.478 8.918 1.287 1.00 0.41 C ATOM 986 O GLU A 63 -0.331 8.583 0.995 1.00 0.48 O ATOM 987 CB GLU A 63 -2.216 8.353 3.579 1.00 0.62 C ATOM 988 CG GLU A 63 -2.333 8.756 5.050 1.00 0.76 C ATOM 989 CD GLU A 63 -3.751 9.182 5.424 1.00 1.05 C ATOM 990 OE1 GLU A 63 -4.682 8.350 5.270 1.00 1.38 O ATOM 991 OE2 GLU A 63 -3.926 10.285 5.977 1.00 2.57 O ATOM 0 H GLU A 63 -3.715 10.268 2.917 1.00 0.43 H new ATOM 0 HA GLU A 63 -0.880 9.973 3.073 1.00 0.46 H new ATOM 0 HB2 GLU A 63 -3.179 7.975 3.236 1.00 0.62 H new ATOM 0 HB3 GLU A 63 -1.502 7.534 3.490 1.00 0.62 H new ATOM 0 HG2 GLU A 63 -2.030 7.919 5.679 1.00 0.76 H new ATOM 0 HG3 GLU A 63 -1.644 9.575 5.256 1.00 0.76 H new ATOM 998 N LEU A 64 -2.501 8.815 0.433 1.00 0.39 N ATOM 999 CA LEU A 64 -2.440 8.274 -0.919 1.00 0.52 C ATOM 1000 C LEU A 64 -1.297 8.867 -1.747 1.00 0.47 C ATOM 1001 O LEU A 64 -0.672 8.142 -2.512 1.00 0.61 O ATOM 1002 CB LEU A 64 -3.786 8.562 -1.596 1.00 0.75 C ATOM 1003 CG LEU A 64 -4.394 7.363 -2.306 1.00 0.86 C ATOM 1004 CD1 LEU A 64 -5.067 6.404 -1.319 1.00 0.84 C ATOM 1005 CD2 LEU A 64 -5.437 7.844 -3.309 1.00 1.51 C ATOM 0 H LEU A 64 -3.440 9.124 0.684 1.00 0.39 H new ATOM 0 HA LEU A 64 -2.245 7.203 -0.857 1.00 0.52 H new ATOM 0 HB2 LEU A 64 -4.489 8.920 -0.844 1.00 0.75 H new ATOM 0 HB3 LEU A 64 -3.652 9.368 -2.317 1.00 0.75 H new ATOM 0 HG LEU A 64 -3.588 6.830 -2.811 1.00 0.86 H new ATOM 0 HD11 LEU A 64 -5.490 5.560 -1.863 1.00 0.84 H new ATOM 0 HD12 LEU A 64 -4.329 6.042 -0.603 1.00 0.84 H new ATOM 0 HD13 LEU A 64 -5.862 6.928 -0.787 1.00 0.84 H new ATOM 0 HD21 LEU A 64 -5.874 6.986 -3.819 1.00 1.51 H new ATOM 0 HD22 LEU A 64 -6.220 8.392 -2.785 1.00 1.51 H new ATOM 0 HD23 LEU A 64 -4.963 8.498 -4.041 1.00 1.51 H new ATOM 1017 N GLY A 65 -1.002 10.159 -1.569 1.00 0.39 N ATOM 1018 CA GLY A 65 0.134 10.831 -2.203 1.00 0.45 C ATOM 1019 C GLY A 65 1.511 10.196 -1.939 1.00 0.40 C ATOM 1020 O GLY A 65 2.399 10.348 -2.774 1.00 0.51 O ATOM 0 H GLY A 65 -1.554 10.775 -0.972 1.00 0.39 H new ATOM 0 HA2 GLY A 65 -0.035 10.855 -3.280 1.00 0.45 H new ATOM 0 HA3 GLY A 65 0.159 11.866 -1.861 1.00 0.45 H new ATOM 1024 N PHE A 66 1.721 9.502 -0.809 1.00 0.35 N ATOM 1025 CA PHE A 66 3.035 8.953 -0.422 1.00 0.38 C ATOM 1026 C PHE A 66 2.944 7.728 0.516 1.00 0.38 C ATOM 1027 O PHE A 66 3.843 7.475 1.321 1.00 0.47 O ATOM 1028 CB PHE A 66 3.927 10.081 0.132 1.00 0.41 C ATOM 1029 CG PHE A 66 3.333 10.882 1.275 1.00 0.44 C ATOM 1030 CD1 PHE A 66 2.566 12.032 1.004 1.00 1.71 C ATOM 1031 CD2 PHE A 66 3.539 10.480 2.608 1.00 1.26 C ATOM 1032 CE1 PHE A 66 1.991 12.760 2.059 1.00 1.81 C ATOM 1033 CE2 PHE A 66 2.978 11.218 3.664 1.00 1.29 C ATOM 1034 CZ PHE A 66 2.195 12.355 3.388 1.00 0.81 C ATOM 0 H PHE A 66 0.982 9.304 -0.134 1.00 0.35 H new ATOM 0 HA PHE A 66 3.508 8.556 -1.320 1.00 0.38 H new ATOM 0 HB2 PHE A 66 4.868 9.645 0.468 1.00 0.41 H new ATOM 0 HB3 PHE A 66 4.165 10.765 -0.682 1.00 0.41 H new ATOM 0 HD1 PHE A 66 2.420 12.355 -0.016 1.00 1.71 H new ATOM 0 HD2 PHE A 66 4.130 9.601 2.820 1.00 1.26 H new ATOM 0 HE1 PHE A 66 1.391 13.633 1.848 1.00 1.81 H new ATOM 0 HE2 PHE A 66 3.147 10.913 4.686 1.00 1.29 H new ATOM 0 HZ PHE A 66 1.752 12.915 4.198 1.00 0.81 H new ATOM 1044 N ILE A 67 1.879 6.927 0.371 1.00 0.39 N ATOM 1045 CA ILE A 67 1.543 5.673 1.069 1.00 0.38 C ATOM 1046 C ILE A 67 2.743 4.729 1.213 1.00 0.42 C ATOM 1047 O ILE A 67 2.886 4.081 2.252 1.00 0.50 O ATOM 1048 CB ILE A 67 0.278 5.080 0.390 1.00 0.52 C ATOM 1049 CG1 ILE A 67 -0.124 3.698 0.921 1.00 1.02 C ATOM 1050 CG2 ILE A 67 0.319 5.040 -1.143 1.00 1.07 C ATOM 1051 CD1 ILE A 67 0.602 2.516 0.272 1.00 0.67 C ATOM 0 H ILE A 67 1.156 7.164 -0.308 1.00 0.39 H new ATOM 0 HA ILE A 67 1.292 5.860 2.113 1.00 0.38 H new ATOM 0 HB ILE A 67 -0.488 5.801 0.676 1.00 0.52 H new ATOM 0 HG12 ILE A 67 0.059 3.671 1.995 1.00 1.02 H new ATOM 0 HG13 ILE A 67 -1.197 3.569 0.777 1.00 1.02 H new ATOM 0 HG21 ILE A 67 -0.609 4.610 -1.521 1.00 1.07 H new ATOM 0 HG22 ILE A 67 0.434 6.052 -1.530 1.00 1.07 H new ATOM 0 HG23 ILE A 67 1.161 4.429 -1.469 1.00 1.07 H new ATOM 0 HD11 ILE A 67 0.249 1.585 0.715 1.00 0.67 H new ATOM 0 HD12 ILE A 67 0.400 2.508 -0.799 1.00 0.67 H new ATOM 0 HD13 ILE A 67 1.675 2.613 0.438 1.00 0.67 H new ATOM 1063 N LEU A 68 3.662 4.721 0.241 1.00 0.43 N ATOM 1064 CA LEU A 68 4.929 3.996 0.315 1.00 0.46 C ATOM 1065 C LEU A 68 5.743 4.275 1.586 1.00 0.43 C ATOM 1066 O LEU A 68 6.451 3.370 2.021 1.00 0.48 O ATOM 1067 CB LEU A 68 5.772 4.303 -0.930 1.00 0.60 C ATOM 1068 CG LEU A 68 5.334 3.547 -2.185 1.00 0.81 C ATOM 1069 CD1 LEU A 68 5.958 4.227 -3.402 1.00 1.11 C ATOM 1070 CD2 LEU A 68 5.810 2.088 -2.135 1.00 1.69 C ATOM 0 H LEU A 68 3.541 5.229 -0.635 1.00 0.43 H new ATOM 0 HA LEU A 68 4.672 2.937 0.356 1.00 0.46 H new ATOM 0 HB2 LEU A 68 5.728 5.374 -1.130 1.00 0.60 H new ATOM 0 HB3 LEU A 68 6.814 4.061 -0.719 1.00 0.60 H new ATOM 0 HG LEU A 68 4.246 3.558 -2.246 1.00 0.81 H new ATOM 0 HD11 LEU A 68 5.656 3.701 -4.308 1.00 1.11 H new ATOM 0 HD12 LEU A 68 5.620 5.262 -3.454 1.00 1.11 H new ATOM 0 HD13 LEU A 68 7.044 4.204 -3.314 1.00 1.11 H new ATOM 0 HD21 LEU A 68 5.487 1.569 -3.038 1.00 1.69 H new ATOM 0 HD22 LEU A 68 6.898 2.062 -2.071 1.00 1.69 H new ATOM 0 HD23 LEU A 68 5.383 1.596 -1.261 1.00 1.69 H new ATOM 1082 N LYS A 69 5.614 5.447 2.237 1.00 0.46 N ATOM 1083 CA LYS A 69 6.291 5.726 3.519 1.00 0.66 C ATOM 1084 C LYS A 69 5.915 4.729 4.619 1.00 0.79 C ATOM 1085 O LYS A 69 6.716 4.509 5.525 1.00 1.09 O ATOM 1086 CB LYS A 69 6.001 7.155 4.016 1.00 1.01 C ATOM 1087 CG LYS A 69 7.014 8.198 3.518 1.00 0.91 C ATOM 1088 CD LYS A 69 6.979 9.435 4.429 1.00 1.69 C ATOM 1089 CE LYS A 69 8.040 10.461 4.017 1.00 1.97 C ATOM 1090 NZ LYS A 69 8.123 11.569 5.000 1.00 2.89 N ATOM 0 H LYS A 69 5.044 6.220 1.894 1.00 0.46 H new ATOM 0 HA LYS A 69 7.356 5.621 3.313 1.00 0.66 H new ATOM 0 HB2 LYS A 69 5.002 7.448 3.692 1.00 1.01 H new ATOM 0 HB3 LYS A 69 5.996 7.157 5.106 1.00 1.01 H new ATOM 0 HG2 LYS A 69 8.016 7.770 3.510 1.00 0.91 H new ATOM 0 HG3 LYS A 69 6.781 8.484 2.492 1.00 0.91 H new ATOM 0 HD2 LYS A 69 5.991 9.893 4.386 1.00 1.69 H new ATOM 0 HD3 LYS A 69 7.145 9.132 5.463 1.00 1.69 H new ATOM 0 HE2 LYS A 69 9.010 9.972 3.934 1.00 1.97 H new ATOM 0 HE3 LYS A 69 7.799 10.862 3.032 1.00 1.97 H new ATOM 0 HZ1 LYS A 69 8.849 12.249 4.696 1.00 2.89 H new ATOM 0 HZ2 LYS A 69 7.202 12.049 5.060 1.00 2.89 H new ATOM 0 HZ3 LYS A 69 8.376 11.187 5.934 1.00 2.89 H new ATOM 1104 N GLY A 70 4.735 4.108 4.528 1.00 0.72 N ATOM 1105 CA GLY A 70 4.317 3.045 5.436 1.00 0.90 C ATOM 1106 C GLY A 70 4.733 1.644 4.978 1.00 1.21 C ATOM 1107 O GLY A 70 4.561 0.691 5.733 1.00 2.02 O ATOM 0 H GLY A 70 4.041 4.333 3.816 1.00 0.72 H new ATOM 0 HA2 GLY A 70 4.739 3.235 6.423 1.00 0.90 H new ATOM 0 HA3 GLY A 70 3.233 3.076 5.542 1.00 0.90 H new ATOM 1111 N PHE A 71 5.302 1.514 3.773 1.00 0.67 N ATOM 1112 CA PHE A 71 5.947 0.295 3.300 1.00 0.81 C ATOM 1113 C PHE A 71 7.474 0.324 3.475 1.00 0.89 C ATOM 1114 O PHE A 71 8.017 -0.745 3.735 1.00 1.19 O ATOM 1115 CB PHE A 71 5.570 0.015 1.838 1.00 0.86 C ATOM 1116 CG PHE A 71 4.132 -0.413 1.558 1.00 0.97 C ATOM 1117 CD1 PHE A 71 3.536 -1.461 2.291 1.00 1.49 C ATOM 1118 CD2 PHE A 71 3.431 0.138 0.466 1.00 2.04 C ATOM 1119 CE1 PHE A 71 2.263 -1.945 1.931 1.00 1.51 C ATOM 1120 CE2 PHE A 71 2.179 -0.373 0.084 1.00 2.21 C ATOM 1121 CZ PHE A 71 1.591 -1.413 0.818 1.00 1.32 C ATOM 0 H PHE A 71 5.324 2.272 3.090 1.00 0.67 H new ATOM 0 HA PHE A 71 5.577 -0.520 3.922 1.00 0.81 H new ATOM 0 HB2 PHE A 71 5.773 0.915 1.258 1.00 0.86 H new ATOM 0 HB3 PHE A 71 6.234 -0.763 1.461 1.00 0.86 H new ATOM 0 HD1 PHE A 71 4.058 -1.894 3.132 1.00 1.49 H new ATOM 0 HD2 PHE A 71 3.861 0.962 -0.083 1.00 2.04 H new ATOM 0 HE1 PHE A 71 1.802 -2.729 2.513 1.00 1.51 H new ATOM 0 HE2 PHE A 71 1.669 0.036 -0.776 1.00 2.21 H new ATOM 0 HZ PHE A 71 0.626 -1.803 0.529 1.00 1.32 H new ATOM 1131 N SER A 72 8.165 1.480 3.361 1.00 0.67 N ATOM 1132 CA SER A 72 9.604 1.670 3.643 1.00 0.66 C ATOM 1133 C SER A 72 10.073 3.074 3.200 1.00 0.63 C ATOM 1134 O SER A 72 9.362 3.739 2.443 1.00 0.69 O ATOM 1135 CB SER A 72 10.414 0.532 2.988 1.00 0.69 C ATOM 1136 OG SER A 72 11.689 0.877 2.495 1.00 1.57 O ATOM 0 H SER A 72 7.715 2.343 3.057 1.00 0.67 H new ATOM 0 HA SER A 72 9.776 1.619 4.718 1.00 0.66 H new ATOM 0 HB2 SER A 72 10.535 -0.267 3.719 1.00 0.69 H new ATOM 0 HB3 SER A 72 9.827 0.124 2.165 1.00 0.69 H new ATOM 0 HG SER A 72 12.114 0.085 2.104 1.00 1.57 H new ATOM 1142 N PRO A 73 11.240 3.569 3.662 1.00 0.63 N ATOM 1143 CA PRO A 73 11.829 4.809 3.157 1.00 0.62 C ATOM 1144 C PRO A 73 12.218 4.745 1.665 1.00 0.48 C ATOM 1145 O PRO A 73 12.183 3.707 1.011 1.00 0.38 O ATOM 1146 CB PRO A 73 13.027 5.093 4.073 1.00 0.78 C ATOM 1147 CG PRO A 73 13.425 3.708 4.574 1.00 0.84 C ATOM 1148 CD PRO A 73 12.075 3.013 4.722 1.00 0.79 C ATOM 0 HA PRO A 73 11.102 5.621 3.185 1.00 0.62 H new ATOM 0 HB2 PRO A 73 13.842 5.574 3.532 1.00 0.78 H new ATOM 0 HB3 PRO A 73 12.756 5.755 4.895 1.00 0.78 H new ATOM 0 HG2 PRO A 73 14.073 3.191 3.866 1.00 0.84 H new ATOM 0 HG3 PRO A 73 13.963 3.757 5.521 1.00 0.84 H new ATOM 0 HD2 PRO A 73 12.175 1.933 4.619 1.00 0.79 H new ATOM 0 HD3 PRO A 73 11.641 3.200 5.704 1.00 0.79 H new ATOM 1156 N ASP A 74 12.563 5.920 1.130 1.00 0.59 N ATOM 1157 CA ASP A 74 12.713 6.232 -0.307 1.00 0.66 C ATOM 1158 C ASP A 74 11.401 6.058 -1.101 1.00 0.62 C ATOM 1159 O ASP A 74 11.385 5.884 -2.313 1.00 0.71 O ATOM 1160 CB ASP A 74 13.941 5.543 -0.938 1.00 0.81 C ATOM 1161 CG ASP A 74 14.643 6.508 -1.902 1.00 1.61 C ATOM 1162 OD1 ASP A 74 14.212 6.674 -3.064 1.00 2.56 O ATOM 1163 OD2 ASP A 74 15.560 7.228 -1.459 1.00 2.57 O ATOM 0 H ASP A 74 12.758 6.731 1.717 1.00 0.59 H new ATOM 0 HA ASP A 74 12.929 7.298 -0.375 1.00 0.66 H new ATOM 0 HB2 ASP A 74 14.633 5.228 -0.157 1.00 0.81 H new ATOM 0 HB3 ASP A 74 13.631 4.644 -1.471 1.00 0.81 H new ATOM 1168 N ALA A 75 10.282 6.147 -0.379 1.00 0.68 N ATOM 1169 CA ALA A 75 8.898 6.062 -0.820 1.00 0.64 C ATOM 1170 C ALA A 75 8.504 7.020 -1.954 1.00 0.72 C ATOM 1171 O ALA A 75 7.963 6.585 -2.965 1.00 1.64 O ATOM 1172 CB ALA A 75 8.076 6.355 0.433 1.00 0.69 C ATOM 0 H ALA A 75 10.334 6.295 0.629 1.00 0.68 H new ATOM 0 HA ALA A 75 8.722 5.078 -1.254 1.00 0.64 H new ATOM 0 HB1 ALA A 75 7.014 6.311 0.190 1.00 0.69 H new ATOM 0 HB2 ALA A 75 8.304 5.614 1.199 1.00 0.69 H new ATOM 0 HB3 ALA A 75 8.322 7.349 0.806 1.00 0.69 H new ATOM 1178 N ARG A 76 8.786 8.318 -1.764 1.00 0.61 N ATOM 1179 CA ARG A 76 8.502 9.443 -2.678 1.00 0.48 C ATOM 1180 C ARG A 76 7.007 9.761 -2.820 1.00 0.47 C ATOM 1181 O ARG A 76 6.133 9.067 -2.304 1.00 0.66 O ATOM 1182 CB ARG A 76 9.189 9.261 -4.060 1.00 0.56 C ATOM 1183 CG ARG A 76 10.553 8.574 -3.918 1.00 0.65 C ATOM 1184 CD ARG A 76 11.574 8.779 -5.037 1.00 0.86 C ATOM 1185 NE ARG A 76 12.932 8.651 -4.466 1.00 1.60 N ATOM 1186 CZ ARG A 76 13.692 9.624 -3.986 1.00 2.18 C ATOM 1187 NH1 ARG A 76 13.397 10.895 -4.153 1.00 2.97 N ATOM 1188 NH2 ARG A 76 14.756 9.321 -3.288 1.00 2.87 N ATOM 0 H ARG A 76 9.249 8.634 -0.912 1.00 0.61 H new ATOM 0 HA ARG A 76 8.945 10.319 -2.204 1.00 0.48 H new ATOM 0 HB2 ARG A 76 8.547 8.669 -4.712 1.00 0.56 H new ATOM 0 HB3 ARG A 76 9.317 10.233 -4.536 1.00 0.56 H new ATOM 0 HG2 ARG A 76 11.004 8.915 -2.986 1.00 0.65 H new ATOM 0 HG3 ARG A 76 10.379 7.503 -3.815 1.00 0.65 H new ATOM 0 HD2 ARG A 76 11.424 8.042 -5.826 1.00 0.86 H new ATOM 0 HD3 ARG A 76 11.446 9.762 -5.491 1.00 0.86 H new ATOM 0 HE ARG A 76 13.327 7.711 -4.439 1.00 1.60 H new ATOM 0 HH11 ARG A 76 12.557 11.160 -4.668 1.00 2.97 H new ATOM 0 HH12 ARG A 76 14.008 11.615 -3.768 1.00 2.97 H new ATOM 0 HH21 ARG A 76 14.993 8.344 -3.118 1.00 2.87 H new ATOM 0 HH22 ARG A 76 15.348 10.062 -2.914 1.00 2.87 H new ATOM 1202 N ASP A 77 6.742 10.872 -3.498 1.00 0.41 N ATOM 1203 CA ASP A 77 5.445 11.340 -3.960 1.00 0.41 C ATOM 1204 C ASP A 77 5.001 10.571 -5.216 1.00 0.37 C ATOM 1205 O ASP A 77 5.632 10.651 -6.268 1.00 0.46 O ATOM 1206 CB ASP A 77 5.516 12.863 -4.205 1.00 0.52 C ATOM 1207 CG ASP A 77 6.708 13.345 -5.057 1.00 2.15 C ATOM 1208 OD1 ASP A 77 7.860 12.980 -4.710 1.00 3.16 O ATOM 1209 OD2 ASP A 77 6.462 14.134 -5.995 1.00 3.27 O ATOM 0 H ASP A 77 7.488 11.517 -3.758 1.00 0.41 H new ATOM 0 HA ASP A 77 4.691 11.149 -3.196 1.00 0.41 H new ATOM 0 HB2 ASP A 77 4.593 13.178 -4.692 1.00 0.52 H new ATOM 0 HB3 ASP A 77 5.555 13.367 -3.239 1.00 0.52 H new ATOM 1214 N LEU A 78 3.909 9.811 -5.093 1.00 0.37 N ATOM 1215 CA LEU A 78 3.211 9.199 -6.229 1.00 0.42 C ATOM 1216 C LEU A 78 2.601 10.271 -7.153 1.00 0.36 C ATOM 1217 O LEU A 78 2.171 11.332 -6.695 1.00 0.40 O ATOM 1218 CB LEU A 78 2.088 8.266 -5.732 1.00 0.56 C ATOM 1219 CG LEU A 78 2.497 7.170 -4.732 1.00 0.61 C ATOM 1220 CD1 LEU A 78 1.310 6.234 -4.498 1.00 0.98 C ATOM 1221 CD2 LEU A 78 3.669 6.322 -5.224 1.00 1.23 C ATOM 0 H LEU A 78 3.479 9.601 -4.192 1.00 0.37 H new ATOM 0 HA LEU A 78 3.946 8.623 -6.792 1.00 0.42 H new ATOM 0 HB2 LEU A 78 1.315 8.879 -5.269 1.00 0.56 H new ATOM 0 HB3 LEU A 78 1.636 7.785 -6.599 1.00 0.56 H new ATOM 0 HG LEU A 78 2.804 7.678 -3.818 1.00 0.61 H new ATOM 0 HD11 LEU A 78 1.595 5.456 -3.790 1.00 0.98 H new ATOM 0 HD12 LEU A 78 0.472 6.803 -4.095 1.00 0.98 H new ATOM 0 HD13 LEU A 78 1.016 5.776 -5.442 1.00 0.98 H new ATOM 0 HD21 LEU A 78 3.911 5.567 -4.476 1.00 1.23 H new ATOM 0 HD22 LEU A 78 3.397 5.832 -6.159 1.00 1.23 H new ATOM 0 HD23 LEU A 78 4.537 6.961 -5.388 1.00 1.23 H new ATOM 1233 N SER A 79 2.494 9.973 -8.452 1.00 0.38 N ATOM 1234 CA SER A 79 1.843 10.859 -9.427 1.00 0.37 C ATOM 1235 C SER A 79 0.343 11.016 -9.165 1.00 0.32 C ATOM 1236 O SER A 79 -0.327 10.098 -8.688 1.00 0.32 O ATOM 1237 CB SER A 79 2.050 10.286 -10.827 1.00 0.43 C ATOM 1238 OG SER A 79 1.295 10.935 -11.835 1.00 1.13 O ATOM 0 H SER A 79 2.856 9.111 -8.859 1.00 0.38 H new ATOM 0 HA SER A 79 2.295 11.846 -9.334 1.00 0.37 H new ATOM 0 HB2 SER A 79 3.108 10.351 -11.082 1.00 0.43 H new ATOM 0 HB3 SER A 79 1.789 9.228 -10.817 1.00 0.43 H new ATOM 0 HG SER A 79 1.103 10.302 -12.558 1.00 1.13 H new ATOM 1244 N ALA A 80 -0.209 12.152 -9.602 1.00 0.37 N ATOM 1245 CA ALA A 80 -1.643 12.423 -9.604 1.00 0.45 C ATOM 1246 C ALA A 80 -2.450 11.399 -10.424 1.00 0.48 C ATOM 1247 O ALA A 80 -3.598 11.105 -10.083 1.00 0.59 O ATOM 1248 CB ALA A 80 -1.864 13.844 -10.131 1.00 0.55 C ATOM 0 H ALA A 80 0.345 12.924 -9.972 1.00 0.37 H new ATOM 0 HA ALA A 80 -2.010 12.333 -8.582 1.00 0.45 H new ATOM 0 HB1 ALA A 80 -2.931 14.067 -10.141 1.00 0.55 H new ATOM 0 HB2 ALA A 80 -1.351 14.556 -9.485 1.00 0.55 H new ATOM 0 HB3 ALA A 80 -1.468 13.922 -11.143 1.00 0.55 H new ATOM 1254 N LYS A 81 -1.862 10.823 -11.491 1.00 0.46 N ATOM 1255 CA LYS A 81 -2.521 9.737 -12.231 1.00 0.50 C ATOM 1256 C LYS A 81 -2.530 8.445 -11.409 1.00 0.49 C ATOM 1257 O LYS A 81 -3.516 7.710 -11.462 1.00 0.57 O ATOM 1258 CB LYS A 81 -1.889 9.472 -13.608 1.00 0.54 C ATOM 1259 CG LYS A 81 -1.453 10.713 -14.401 1.00 0.55 C ATOM 1260 CD LYS A 81 -0.931 10.336 -15.799 1.00 2.39 C ATOM 1261 CE LYS A 81 -2.042 9.946 -16.784 1.00 2.97 C ATOM 1262 NZ LYS A 81 -2.813 11.129 -17.234 1.00 3.38 N ATOM 0 H LYS A 81 -0.946 11.089 -11.853 1.00 0.46 H new ATOM 0 HA LYS A 81 -3.544 10.070 -12.405 1.00 0.50 H new ATOM 0 HB2 LYS A 81 -1.019 8.831 -13.468 1.00 0.54 H new ATOM 0 HB3 LYS A 81 -2.604 8.913 -14.212 1.00 0.54 H new ATOM 0 HG2 LYS A 81 -2.295 11.398 -14.499 1.00 0.55 H new ATOM 0 HG3 LYS A 81 -0.674 11.242 -13.851 1.00 0.55 H new ATOM 0 HD2 LYS A 81 -0.373 11.178 -16.209 1.00 2.39 H new ATOM 0 HD3 LYS A 81 -0.232 9.505 -15.705 1.00 2.39 H new ATOM 0 HE2 LYS A 81 -1.604 9.446 -17.648 1.00 2.97 H new ATOM 0 HE3 LYS A 81 -2.715 9.231 -16.310 1.00 2.97 H new ATOM 0 HZ1 LYS A 81 -3.521 10.835 -17.936 1.00 3.38 H new ATOM 0 HZ2 LYS A 81 -3.293 11.561 -16.419 1.00 3.38 H new ATOM 0 HZ3 LYS A 81 -2.167 11.822 -17.663 1.00 3.38 H new ATOM 1276 N GLU A 82 -1.466 8.201 -10.625 1.00 0.44 N ATOM 1277 CA GLU A 82 -1.413 7.066 -9.709 1.00 0.41 C ATOM 1278 C GLU A 82 -2.480 7.243 -8.638 1.00 0.39 C ATOM 1279 O GLU A 82 -3.359 6.399 -8.557 1.00 0.41 O ATOM 1280 CB GLU A 82 -0.024 6.802 -9.083 1.00 0.48 C ATOM 1281 CG GLU A 82 0.211 5.280 -9.148 1.00 0.82 C ATOM 1282 CD GLU A 82 1.589 4.763 -8.703 1.00 1.68 C ATOM 1283 OE1 GLU A 82 1.740 4.517 -7.488 1.00 2.14 O ATOM 1284 OE2 GLU A 82 2.425 4.479 -9.595 1.00 3.14 O ATOM 0 H GLU A 82 -0.629 8.784 -10.613 1.00 0.44 H new ATOM 0 HA GLU A 82 -1.612 6.174 -10.302 1.00 0.41 H new ATOM 0 HB2 GLU A 82 0.754 7.337 -9.628 1.00 0.48 H new ATOM 0 HB3 GLU A 82 0.009 7.155 -8.052 1.00 0.48 H new ATOM 0 HG2 GLU A 82 -0.547 4.794 -8.533 1.00 0.82 H new ATOM 0 HG3 GLU A 82 0.044 4.956 -10.175 1.00 0.82 H new ATOM 1291 N THR A 83 -2.469 8.350 -7.879 1.00 0.39 N ATOM 1292 CA THR A 83 -3.452 8.598 -6.811 1.00 0.40 C ATOM 1293 C THR A 83 -4.898 8.483 -7.306 1.00 0.44 C ATOM 1294 O THR A 83 -5.696 7.815 -6.649 1.00 0.46 O ATOM 1295 CB THR A 83 -3.238 9.941 -6.094 1.00 0.50 C ATOM 1296 OG1 THR A 83 -3.373 11.021 -6.981 1.00 2.36 O ATOM 1297 CG2 THR A 83 -1.871 10.046 -5.420 1.00 2.09 C ATOM 0 H THR A 83 -1.782 9.096 -7.987 1.00 0.39 H new ATOM 0 HA THR A 83 -3.280 7.807 -6.081 1.00 0.40 H new ATOM 0 HB THR A 83 -4.010 9.983 -5.325 1.00 0.50 H new ATOM 0 HG1 THR A 83 -3.302 10.698 -7.903 1.00 2.36 H new ATOM 0 HG21 THR A 83 -1.780 11.016 -4.931 1.00 2.09 H new ATOM 0 HG22 THR A 83 -1.770 9.255 -4.677 1.00 2.09 H new ATOM 0 HG23 THR A 83 -1.087 9.943 -6.170 1.00 2.09 H new ATOM 1305 N LYS A 84 -5.224 9.041 -8.484 1.00 0.47 N ATOM 1306 CA LYS A 84 -6.529 8.885 -9.151 1.00 0.55 C ATOM 1307 C LYS A 84 -6.948 7.413 -9.284 1.00 0.49 C ATOM 1308 O LYS A 84 -8.029 7.042 -8.823 1.00 0.55 O ATOM 1309 CB LYS A 84 -6.496 9.612 -10.507 1.00 0.64 C ATOM 1310 CG LYS A 84 -7.823 9.504 -11.275 1.00 1.70 C ATOM 1311 CD LYS A 84 -7.783 10.312 -12.580 1.00 1.77 C ATOM 1312 CE LYS A 84 -9.080 10.084 -13.366 1.00 2.89 C ATOM 1313 NZ LYS A 84 -9.122 10.893 -14.608 1.00 3.59 N ATOM 0 H LYS A 84 -4.575 9.625 -9.011 1.00 0.47 H new ATOM 0 HA LYS A 84 -7.296 9.345 -8.528 1.00 0.55 H new ATOM 0 HB2 LYS A 84 -6.261 10.664 -10.344 1.00 0.64 H new ATOM 0 HB3 LYS A 84 -5.694 9.197 -11.117 1.00 0.64 H new ATOM 0 HG2 LYS A 84 -8.031 8.458 -11.499 1.00 1.70 H new ATOM 0 HG3 LYS A 84 -8.638 9.864 -10.648 1.00 1.70 H new ATOM 0 HD2 LYS A 84 -7.661 11.372 -12.359 1.00 1.77 H new ATOM 0 HD3 LYS A 84 -6.924 10.011 -13.180 1.00 1.77 H new ATOM 0 HE2 LYS A 84 -9.171 9.027 -13.617 1.00 2.89 H new ATOM 0 HE3 LYS A 84 -9.934 10.337 -12.738 1.00 2.89 H new ATOM 0 HZ1 LYS A 84 -10.014 10.711 -15.111 1.00 3.59 H new ATOM 0 HZ2 LYS A 84 -9.060 11.903 -14.367 1.00 3.59 H new ATOM 0 HZ3 LYS A 84 -8.321 10.633 -15.219 1.00 3.59 H new ATOM 1327 N MET A 85 -6.119 6.579 -9.922 1.00 0.43 N ATOM 1328 CA MET A 85 -6.414 5.152 -10.100 1.00 0.44 C ATOM 1329 C MET A 85 -6.328 4.364 -8.790 1.00 0.44 C ATOM 1330 O MET A 85 -7.199 3.544 -8.531 1.00 0.50 O ATOM 1331 CB MET A 85 -5.471 4.542 -11.147 1.00 0.49 C ATOM 1332 CG MET A 85 -5.928 4.900 -12.563 1.00 1.45 C ATOM 1333 SD MET A 85 -4.823 4.291 -13.861 1.00 2.04 S ATOM 1334 CE MET A 85 -5.852 4.621 -15.314 1.00 2.54 C ATOM 0 H MET A 85 -5.230 6.871 -10.327 1.00 0.43 H new ATOM 0 HA MET A 85 -7.444 5.081 -10.449 1.00 0.44 H new ATOM 0 HB2 MET A 85 -4.456 4.905 -10.985 1.00 0.49 H new ATOM 0 HB3 MET A 85 -5.444 3.458 -11.032 1.00 0.49 H new ATOM 0 HG2 MET A 85 -6.926 4.493 -12.727 1.00 1.45 H new ATOM 0 HG3 MET A 85 -6.009 5.984 -12.646 1.00 1.45 H new ATOM 0 HE1 MET A 85 -5.324 4.305 -16.213 1.00 2.54 H new ATOM 0 HE2 MET A 85 -6.788 4.069 -15.230 1.00 2.54 H new ATOM 0 HE3 MET A 85 -6.065 5.688 -15.374 1.00 2.54 H new ATOM 1344 N LEU A 86 -5.317 4.622 -7.961 1.00 0.40 N ATOM 1345 CA LEU A 86 -5.071 4.017 -6.655 1.00 0.46 C ATOM 1346 C LEU A 86 -6.280 4.209 -5.736 1.00 0.45 C ATOM 1347 O LEU A 86 -6.693 3.249 -5.095 1.00 0.53 O ATOM 1348 CB LEU A 86 -3.766 4.624 -6.097 1.00 0.56 C ATOM 1349 CG LEU A 86 -3.105 3.932 -4.895 1.00 0.75 C ATOM 1350 CD1 LEU A 86 -1.757 4.597 -4.610 1.00 2.66 C ATOM 1351 CD2 LEU A 86 -3.944 3.953 -3.624 1.00 1.96 C ATOM 0 H LEU A 86 -4.600 5.306 -8.202 1.00 0.40 H new ATOM 0 HA LEU A 86 -4.940 2.938 -6.733 1.00 0.46 H new ATOM 0 HB2 LEU A 86 -3.038 4.653 -6.908 1.00 0.56 H new ATOM 0 HB3 LEU A 86 -3.972 5.657 -5.816 1.00 0.56 H new ATOM 0 HG LEU A 86 -2.989 2.884 -5.173 1.00 0.75 H new ATOM 0 HD11 LEU A 86 -1.284 4.109 -3.758 1.00 2.66 H new ATOM 0 HD12 LEU A 86 -1.113 4.504 -5.485 1.00 2.66 H new ATOM 0 HD13 LEU A 86 -1.912 5.652 -4.384 1.00 2.66 H new ATOM 0 HD21 LEU A 86 -3.406 3.444 -2.824 1.00 1.96 H new ATOM 0 HD22 LEU A 86 -4.137 4.985 -3.332 1.00 1.96 H new ATOM 0 HD23 LEU A 86 -4.891 3.444 -3.805 1.00 1.96 H new ATOM 1363 N MET A 87 -6.900 5.399 -5.715 1.00 0.45 N ATOM 1364 CA MET A 87 -8.142 5.646 -4.976 1.00 0.53 C ATOM 1365 C MET A 87 -9.243 4.664 -5.410 1.00 0.49 C ATOM 1366 O MET A 87 -9.722 3.871 -4.598 1.00 0.55 O ATOM 1367 CB MET A 87 -8.594 7.105 -5.173 1.00 0.73 C ATOM 1368 CG MET A 87 -9.721 7.474 -4.200 1.00 1.10 C ATOM 1369 SD MET A 87 -10.869 8.735 -4.811 1.00 1.87 S ATOM 1370 CE MET A 87 -11.887 7.705 -5.904 1.00 2.95 C ATOM 0 H MET A 87 -6.551 6.218 -6.213 1.00 0.45 H new ATOM 0 HA MET A 87 -7.954 5.483 -3.915 1.00 0.53 H new ATOM 0 HB2 MET A 87 -7.747 7.774 -5.023 1.00 0.73 H new ATOM 0 HB3 MET A 87 -8.935 7.247 -6.199 1.00 0.73 H new ATOM 0 HG2 MET A 87 -10.286 6.573 -3.962 1.00 1.10 H new ATOM 0 HG3 MET A 87 -9.277 7.827 -3.269 1.00 1.10 H new ATOM 0 HE1 MET A 87 -12.656 8.320 -6.372 1.00 2.95 H new ATOM 0 HE2 MET A 87 -11.258 7.261 -6.676 1.00 2.95 H new ATOM 0 HE3 MET A 87 -12.360 6.914 -5.322 1.00 2.95 H new ATOM 1380 N ALA A 88 -9.626 4.721 -6.691 1.00 0.49 N ATOM 1381 CA ALA A 88 -10.720 3.943 -7.269 1.00 0.52 C ATOM 1382 C ALA A 88 -10.464 2.427 -7.237 1.00 0.50 C ATOM 1383 O ALA A 88 -11.356 1.659 -6.889 1.00 0.57 O ATOM 1384 CB ALA A 88 -10.937 4.434 -8.705 1.00 0.59 C ATOM 0 H ALA A 88 -9.168 5.328 -7.371 1.00 0.49 H new ATOM 0 HA ALA A 88 -11.615 4.097 -6.667 1.00 0.52 H new ATOM 0 HB1 ALA A 88 -11.750 3.870 -9.163 1.00 0.59 H new ATOM 0 HB2 ALA A 88 -11.192 5.494 -8.693 1.00 0.59 H new ATOM 0 HB3 ALA A 88 -10.024 4.288 -9.282 1.00 0.59 H new ATOM 1390 N ALA A 89 -9.255 1.991 -7.609 1.00 0.50 N ATOM 1391 CA ALA A 89 -8.868 0.588 -7.591 1.00 0.52 C ATOM 1392 C ALA A 89 -8.648 0.074 -6.166 1.00 0.47 C ATOM 1393 O ALA A 89 -8.974 -1.072 -5.897 1.00 0.60 O ATOM 1394 CB ALA A 89 -7.607 0.393 -8.442 1.00 0.65 C ATOM 0 H ALA A 89 -8.515 2.614 -7.933 1.00 0.50 H new ATOM 0 HA ALA A 89 -9.684 0.004 -8.015 1.00 0.52 H new ATOM 0 HB1 ALA A 89 -7.318 -0.658 -8.428 1.00 0.65 H new ATOM 0 HB2 ALA A 89 -7.809 0.700 -9.468 1.00 0.65 H new ATOM 0 HB3 ALA A 89 -6.797 0.998 -8.035 1.00 0.65 H new ATOM 1400 N GLY A 90 -8.122 0.893 -5.252 1.00 0.46 N ATOM 1401 CA GLY A 90 -7.897 0.528 -3.859 1.00 0.49 C ATOM 1402 C GLY A 90 -9.202 0.345 -3.091 1.00 0.47 C ATOM 1403 O GLY A 90 -9.443 -0.720 -2.522 1.00 0.64 O ATOM 0 H GLY A 90 -7.836 1.848 -5.469 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -7.320 -0.396 -3.816 1.00 0.49 H new ATOM 0 HA3 GLY A 90 -7.299 1.300 -3.375 1.00 0.49 H new ATOM 1407 N ASP A 91 -10.060 1.369 -3.083 1.00 0.43 N ATOM 1408 CA ASP A 91 -11.406 1.259 -2.528 1.00 0.45 C ATOM 1409 C ASP A 91 -12.354 0.502 -3.492 1.00 0.58 C ATOM 1410 O ASP A 91 -13.326 1.059 -3.998 1.00 0.68 O ATOM 1411 CB ASP A 91 -11.946 2.635 -2.151 1.00 0.53 C ATOM 1412 CG ASP A 91 -13.332 2.455 -1.535 1.00 0.70 C ATOM 1413 OD1 ASP A 91 -13.495 1.632 -0.598 1.00 0.74 O ATOM 1414 OD2 ASP A 91 -14.257 3.119 -2.033 1.00 1.20 O ATOM 0 H ASP A 91 -9.840 2.291 -3.459 1.00 0.43 H new ATOM 0 HA ASP A 91 -11.353 0.667 -1.614 1.00 0.45 H new ATOM 0 HB2 ASP A 91 -11.277 3.124 -1.443 1.00 0.53 H new ATOM 0 HB3 ASP A 91 -12.002 3.275 -3.032 1.00 0.53 H new ATOM 1419 N LYS A 92 -12.121 -0.796 -3.729 1.00 0.76 N ATOM 1420 CA LYS A 92 -13.078 -1.613 -4.505 1.00 0.97 C ATOM 1421 C LYS A 92 -14.451 -1.771 -3.832 1.00 0.86 C ATOM 1422 O LYS A 92 -15.410 -2.160 -4.492 1.00 1.08 O ATOM 1423 CB LYS A 92 -12.508 -3.003 -4.809 1.00 1.28 C ATOM 1424 CG LYS A 92 -11.458 -2.995 -5.937 1.00 2.57 C ATOM 1425 CD LYS A 92 -11.590 -4.231 -6.847 1.00 3.18 C ATOM 1426 CE LYS A 92 -10.717 -4.114 -8.102 1.00 4.19 C ATOM 1427 NZ LYS A 92 -11.004 -5.212 -9.058 1.00 4.72 N ATOM 0 H LYS A 92 -11.296 -1.300 -3.404 1.00 0.76 H new ATOM 0 HA LYS A 92 -13.231 -1.059 -5.431 1.00 0.97 H new ATOM 0 HB2 LYS A 92 -12.056 -3.409 -3.904 1.00 1.28 H new ATOM 0 HB3 LYS A 92 -13.324 -3.671 -5.086 1.00 1.28 H new ATOM 0 HG2 LYS A 92 -11.572 -2.090 -6.534 1.00 2.57 H new ATOM 0 HG3 LYS A 92 -10.458 -2.967 -5.503 1.00 2.57 H new ATOM 0 HD2 LYS A 92 -11.306 -5.124 -6.290 1.00 3.18 H new ATOM 0 HD3 LYS A 92 -12.632 -4.356 -7.140 1.00 3.18 H new ATOM 0 HE2 LYS A 92 -10.895 -3.153 -8.584 1.00 4.19 H new ATOM 0 HE3 LYS A 92 -9.664 -4.139 -7.820 1.00 4.19 H new ATOM 0 HZ1 LYS A 92 -10.353 -5.148 -9.866 1.00 4.72 H new ATOM 0 HZ2 LYS A 92 -10.876 -6.128 -8.583 1.00 4.72 H new ATOM 0 HZ3 LYS A 92 -11.984 -5.131 -9.396 1.00 4.72 H new ATOM 1441 N ASP A 93 -14.537 -1.500 -2.530 1.00 0.61 N ATOM 1442 CA ASP A 93 -15.741 -1.628 -1.711 1.00 0.58 C ATOM 1443 C ASP A 93 -16.704 -0.430 -1.844 1.00 0.50 C ATOM 1444 O ASP A 93 -17.913 -0.628 -1.752 1.00 0.66 O ATOM 1445 CB ASP A 93 -15.267 -1.856 -0.268 1.00 0.85 C ATOM 1446 CG ASP A 93 -16.299 -1.485 0.788 1.00 1.04 C ATOM 1447 OD1 ASP A 93 -16.217 -0.306 1.199 1.00 1.87 O ATOM 1448 OD2 ASP A 93 -17.048 -2.380 1.228 1.00 1.62 O ATOM 0 H ASP A 93 -13.734 -1.171 -1.994 1.00 0.61 H new ATOM 0 HA ASP A 93 -16.340 -2.471 -2.056 1.00 0.58 H new ATOM 0 HB2 ASP A 93 -14.998 -2.905 -0.146 1.00 0.85 H new ATOM 0 HB3 ASP A 93 -14.362 -1.273 -0.097 1.00 0.85 H new ATOM 1453 N GLY A 94 -16.203 0.789 -2.088 1.00 0.57 N ATOM 1454 CA GLY A 94 -17.029 1.995 -2.204 1.00 0.84 C ATOM 1455 C GLY A 94 -17.103 2.873 -0.941 1.00 0.97 C ATOM 1456 O GLY A 94 -17.886 3.822 -0.931 1.00 1.22 O ATOM 0 H GLY A 94 -15.206 0.965 -2.211 1.00 0.57 H new ATOM 0 HA2 GLY A 94 -16.643 2.601 -3.024 1.00 0.84 H new ATOM 0 HA3 GLY A 94 -18.041 1.696 -2.477 1.00 0.84 H new ATOM 1460 N ASP A 95 -16.292 2.617 0.101 1.00 0.91 N ATOM 1461 CA ASP A 95 -16.140 3.531 1.266 1.00 1.13 C ATOM 1462 C ASP A 95 -15.588 4.921 0.883 1.00 1.07 C ATOM 1463 O ASP A 95 -15.741 5.900 1.614 1.00 1.33 O ATOM 1464 CB ASP A 95 -15.098 2.986 2.263 1.00 1.20 C ATOM 1465 CG ASP A 95 -15.568 1.984 3.307 1.00 1.40 C ATOM 1466 OD1 ASP A 95 -16.638 2.178 3.914 1.00 2.04 O ATOM 1467 OD2 ASP A 95 -14.720 1.083 3.547 1.00 1.55 O ATOM 0 H ASP A 95 -15.721 1.774 0.167 1.00 0.91 H new ATOM 0 HA ASP A 95 -17.145 3.604 1.681 1.00 1.13 H new ATOM 0 HB2 ASP A 95 -14.297 2.520 1.689 1.00 1.20 H new ATOM 0 HB3 ASP A 95 -14.661 3.836 2.788 1.00 1.20 H new ATOM 1472 N GLY A 96 -14.819 4.956 -0.205 1.00 0.89 N ATOM 1473 CA GLY A 96 -13.893 5.980 -0.667 1.00 0.94 C ATOM 1474 C GLY A 96 -12.531 6.011 0.034 1.00 0.75 C ATOM 1475 O GLY A 96 -11.774 6.957 -0.172 1.00 1.02 O ATOM 0 H GLY A 96 -14.836 4.172 -0.858 1.00 0.89 H new ATOM 0 HA2 GLY A 96 -13.728 5.839 -1.735 1.00 0.94 H new ATOM 0 HA3 GLY A 96 -14.366 6.954 -0.544 1.00 0.94 H new ATOM 1479 N LYS A 97 -12.193 4.979 0.821 1.00 0.40 N ATOM 1480 CA LYS A 97 -10.862 4.725 1.384 1.00 0.26 C ATOM 1481 C LYS A 97 -10.480 3.252 1.276 1.00 0.28 C ATOM 1482 O LYS A 97 -11.338 2.375 1.423 1.00 0.36 O ATOM 1483 CB LYS A 97 -10.836 5.149 2.856 1.00 0.49 C ATOM 1484 CG LYS A 97 -10.728 6.671 2.987 1.00 0.72 C ATOM 1485 CD LYS A 97 -12.019 7.410 3.358 1.00 0.84 C ATOM 1486 CE LYS A 97 -12.138 7.531 4.881 1.00 1.72 C ATOM 1487 NZ LYS A 97 -13.232 8.449 5.261 1.00 2.32 N ATOM 0 H LYS A 97 -12.872 4.268 1.094 1.00 0.40 H new ATOM 0 HA LYS A 97 -10.140 5.307 0.812 1.00 0.26 H new ATOM 0 HB2 LYS A 97 -11.741 4.801 3.354 1.00 0.49 H new ATOM 0 HB3 LYS A 97 -9.993 4.676 3.359 1.00 0.49 H new ATOM 0 HG2 LYS A 97 -9.974 6.898 3.741 1.00 0.72 H new ATOM 0 HG3 LYS A 97 -10.363 7.072 2.041 1.00 0.72 H new ATOM 0 HD2 LYS A 97 -12.022 8.402 2.905 1.00 0.84 H new ATOM 0 HD3 LYS A 97 -12.881 6.875 2.960 1.00 0.84 H new ATOM 0 HE2 LYS A 97 -12.319 6.547 5.313 1.00 1.72 H new ATOM 0 HE3 LYS A 97 -11.196 7.893 5.294 1.00 1.72 H new ATOM 0 HZ1 LYS A 97 -13.289 8.511 6.298 1.00 2.32 H new ATOM 0 HZ2 LYS A 97 -13.045 9.393 4.867 1.00 2.32 H new ATOM 0 HZ3 LYS A 97 -14.133 8.089 4.886 1.00 2.32 H new ATOM 1501 N ILE A 98 -9.178 2.984 1.119 1.00 0.31 N ATOM 1502 CA ILE A 98 -8.640 1.624 1.268 1.00 0.34 C ATOM 1503 C ILE A 98 -8.879 1.219 2.717 1.00 0.33 C ATOM 1504 O ILE A 98 -8.509 1.952 3.639 1.00 0.35 O ATOM 1505 CB ILE A 98 -7.143 1.525 0.870 1.00 0.39 C ATOM 1506 CG1 ILE A 98 -7.021 1.580 -0.663 1.00 0.51 C ATOM 1507 CG2 ILE A 98 -6.427 0.241 1.364 1.00 0.44 C ATOM 1508 CD1 ILE A 98 -5.635 1.994 -1.167 1.00 0.35 C ATOM 0 H ILE A 98 -8.478 3.689 0.889 1.00 0.31 H new ATOM 0 HA ILE A 98 -9.147 0.940 0.587 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.653 2.368 1.357 1.00 0.39 H new ATOM 0 HG12 ILE A 98 -7.266 0.600 -1.071 1.00 0.51 H new ATOM 0 HG13 ILE A 98 -7.761 2.281 -1.050 1.00 0.51 H new ATOM 0 HG21 ILE A 98 -5.386 0.257 1.040 1.00 0.44 H new ATOM 0 HG22 ILE A 98 -6.468 0.198 2.452 1.00 0.44 H new ATOM 0 HG23 ILE A 98 -6.923 -0.635 0.947 1.00 0.44 H new ATOM 0 HD11 ILE A 98 -5.633 2.008 -2.257 1.00 0.35 H new ATOM 0 HD12 ILE A 98 -5.393 2.988 -0.791 1.00 0.35 H new ATOM 0 HD13 ILE A 98 -4.891 1.281 -0.812 1.00 0.35 H new ATOM 1520 N GLY A 99 -9.513 0.061 2.889 1.00 0.36 N ATOM 1521 CA GLY A 99 -9.477 -0.716 4.121 1.00 0.35 C ATOM 1522 C GLY A 99 -8.629 -1.975 3.931 1.00 0.38 C ATOM 1523 O GLY A 99 -8.539 -2.525 2.831 1.00 0.44 O ATOM 0 H GLY A 99 -10.078 -0.371 2.158 1.00 0.36 H new ATOM 0 HA2 GLY A 99 -9.065 -0.111 4.929 1.00 0.35 H new ATOM 0 HA3 GLY A 99 -10.490 -0.992 4.414 1.00 0.35 H new ATOM 1527 N VAL A 100 -7.996 -2.427 5.015 1.00 0.41 N ATOM 1528 CA VAL A 100 -7.112 -3.599 5.050 1.00 0.47 C ATOM 1529 C VAL A 100 -7.723 -4.891 4.509 1.00 0.40 C ATOM 1530 O VAL A 100 -7.044 -5.616 3.784 1.00 0.51 O ATOM 1531 CB VAL A 100 -6.580 -3.820 6.474 1.00 0.59 C ATOM 1532 CG1 VAL A 100 -7.629 -4.114 7.557 1.00 0.60 C ATOM 1533 CG2 VAL A 100 -5.512 -4.908 6.474 1.00 0.79 C ATOM 0 H VAL A 100 -8.086 -1.974 5.924 1.00 0.41 H new ATOM 0 HA VAL A 100 -6.297 -3.361 4.367 1.00 0.47 H new ATOM 0 HB VAL A 100 -6.163 -2.853 6.756 1.00 0.59 H new ATOM 0 HG11 VAL A 100 -7.132 -4.251 8.517 1.00 0.60 H new ATOM 0 HG12 VAL A 100 -8.326 -3.279 7.625 1.00 0.60 H new ATOM 0 HG13 VAL A 100 -8.175 -5.021 7.298 1.00 0.60 H new ATOM 0 HG21 VAL A 100 -5.143 -5.055 7.489 1.00 0.79 H new ATOM 0 HG22 VAL A 100 -5.942 -5.839 6.105 1.00 0.79 H new ATOM 0 HG23 VAL A 100 -4.687 -4.608 5.828 1.00 0.79 H new ATOM 1543 N ASP A 101 -8.976 -5.188 4.860 1.00 0.39 N ATOM 1544 CA ASP A 101 -9.657 -6.423 4.468 1.00 0.49 C ATOM 1545 C ASP A 101 -9.837 -6.493 2.945 1.00 0.45 C ATOM 1546 O ASP A 101 -9.538 -7.521 2.322 1.00 0.48 O ATOM 1547 CB ASP A 101 -10.992 -6.503 5.216 1.00 0.60 C ATOM 1548 CG ASP A 101 -11.639 -7.877 5.042 1.00 1.08 C ATOM 1549 OD1 ASP A 101 -11.070 -8.841 5.601 1.00 1.44 O ATOM 1550 OD2 ASP A 101 -12.683 -7.942 4.359 1.00 2.33 O ATOM 0 H ASP A 101 -9.553 -4.570 5.431 1.00 0.39 H new ATOM 0 HA ASP A 101 -9.051 -7.287 4.741 1.00 0.49 H new ATOM 0 HB2 ASP A 101 -10.831 -6.305 6.276 1.00 0.60 H new ATOM 0 HB3 ASP A 101 -11.666 -5.731 4.846 1.00 0.60 H new ATOM 1555 N GLU A 102 -10.204 -5.358 2.328 1.00 0.43 N ATOM 1556 CA GLU A 102 -10.066 -5.204 0.886 1.00 0.45 C ATOM 1557 C GLU A 102 -8.600 -5.360 0.485 1.00 0.47 C ATOM 1558 O GLU A 102 -8.296 -6.289 -0.247 1.00 0.61 O ATOM 1559 CB GLU A 102 -10.628 -3.878 0.353 1.00 0.69 C ATOM 1560 CG GLU A 102 -12.010 -3.517 0.891 1.00 0.81 C ATOM 1561 CD GLU A 102 -11.868 -2.500 2.016 1.00 0.96 C ATOM 1562 OE1 GLU A 102 -11.676 -2.892 3.181 1.00 2.33 O ATOM 1563 OE2 GLU A 102 -11.974 -1.284 1.715 1.00 0.88 O ATOM 0 H GLU A 102 -10.594 -4.546 2.807 1.00 0.43 H new ATOM 0 HA GLU A 102 -10.665 -5.992 0.429 1.00 0.45 H new ATOM 0 HB2 GLU A 102 -9.933 -3.076 0.603 1.00 0.69 H new ATOM 0 HB3 GLU A 102 -10.677 -3.929 -0.735 1.00 0.69 H new ATOM 0 HG2 GLU A 102 -12.627 -3.107 0.092 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -12.515 -4.411 1.257 1.00 0.81 H new ATOM 1570 N PHE A 103 -7.687 -4.498 0.957 1.00 0.45 N ATOM 1571 CA PHE A 103 -6.298 -4.416 0.477 1.00 0.55 C ATOM 1572 C PHE A 103 -5.551 -5.762 0.463 1.00 0.57 C ATOM 1573 O PHE A 103 -4.818 -6.045 -0.482 1.00 0.64 O ATOM 1574 CB PHE A 103 -5.532 -3.346 1.272 1.00 0.69 C ATOM 1575 CG PHE A 103 -4.555 -2.495 0.474 1.00 0.58 C ATOM 1576 CD1 PHE A 103 -4.907 -1.965 -0.787 1.00 2.45 C ATOM 1577 CD2 PHE A 103 -3.327 -2.127 1.055 1.00 1.73 C ATOM 1578 CE1 PHE A 103 -4.025 -1.112 -1.474 1.00 3.02 C ATOM 1579 CE2 PHE A 103 -2.459 -1.253 0.378 1.00 1.91 C ATOM 1580 CZ PHE A 103 -2.798 -0.753 -0.891 1.00 2.03 C ATOM 0 H PHE A 103 -7.896 -3.826 1.696 1.00 0.45 H new ATOM 0 HA PHE A 103 -6.348 -4.122 -0.571 1.00 0.55 H new ATOM 0 HB2 PHE A 103 -6.258 -2.684 1.745 1.00 0.69 H new ATOM 0 HB3 PHE A 103 -4.982 -3.841 2.073 1.00 0.69 H new ATOM 0 HD1 PHE A 103 -5.861 -2.217 -1.227 1.00 2.45 H new ATOM 0 HD2 PHE A 103 -3.051 -2.517 2.023 1.00 1.73 H new ATOM 0 HE1 PHE A 103 -4.291 -0.733 -2.450 1.00 3.02 H new ATOM 0 HE2 PHE A 103 -1.525 -0.964 0.836 1.00 1.91 H new ATOM 0 HZ PHE A 103 -2.119 -0.097 -1.415 1.00 2.03 H new ATOM 1590 N SER A 104 -5.810 -6.612 1.461 1.00 0.54 N ATOM 1591 CA SER A 104 -5.362 -8.004 1.577 1.00 0.59 C ATOM 1592 C SER A 104 -5.723 -8.884 0.378 1.00 0.57 C ATOM 1593 O SER A 104 -4.920 -9.695 -0.084 1.00 0.83 O ATOM 1594 CB SER A 104 -6.050 -8.592 2.815 1.00 0.64 C ATOM 1595 OG SER A 104 -5.555 -9.884 3.101 1.00 1.06 O ATOM 0 H SER A 104 -6.375 -6.328 2.262 1.00 0.54 H new ATOM 0 HA SER A 104 -4.274 -7.994 1.638 1.00 0.59 H new ATOM 0 HB2 SER A 104 -5.887 -7.938 3.672 1.00 0.64 H new ATOM 0 HB3 SER A 104 -7.126 -8.639 2.650 1.00 0.64 H new ATOM 0 HG SER A 104 -6.007 -10.239 3.895 1.00 1.06 H new ATOM 1601 N THR A 105 -6.952 -8.736 -0.116 1.00 0.46 N ATOM 1602 CA THR A 105 -7.592 -9.613 -1.099 1.00 0.47 C ATOM 1603 C THR A 105 -7.677 -8.957 -2.482 1.00 0.46 C ATOM 1604 O THR A 105 -7.640 -9.639 -3.505 1.00 0.46 O ATOM 1605 CB THR A 105 -8.971 -10.037 -0.571 1.00 0.50 C ATOM 1606 OG1 THR A 105 -9.783 -8.923 -0.254 1.00 0.48 O ATOM 1607 CG2 THR A 105 -8.821 -10.901 0.684 1.00 0.50 C ATOM 0 H THR A 105 -7.557 -7.967 0.171 1.00 0.46 H new ATOM 0 HA THR A 105 -6.979 -10.504 -1.233 1.00 0.47 H new ATOM 0 HB THR A 105 -9.451 -10.605 -1.368 1.00 0.50 H new ATOM 0 HG1 THR A 105 -9.545 -8.587 0.635 1.00 0.48 H new ATOM 0 HG21 THR A 105 -9.807 -11.193 1.045 1.00 0.50 H new ATOM 0 HG22 THR A 105 -8.244 -11.794 0.444 1.00 0.50 H new ATOM 0 HG23 THR A 105 -8.305 -10.332 1.458 1.00 0.50 H new ATOM 1615 N LEU A 106 -7.598 -7.624 -2.516 1.00 0.49 N ATOM 1616 CA LEU A 106 -7.435 -6.740 -3.670 1.00 0.50 C ATOM 1617 C LEU A 106 -6.346 -7.194 -4.636 1.00 0.46 C ATOM 1618 O LEU A 106 -6.404 -6.921 -5.830 1.00 0.58 O ATOM 1619 CB LEU A 106 -7.037 -5.340 -3.148 1.00 0.62 C ATOM 1620 CG LEU A 106 -7.853 -4.176 -3.703 1.00 0.94 C ATOM 1621 CD1 LEU A 106 -7.676 -4.110 -5.217 1.00 1.46 C ATOM 1622 CD2 LEU A 106 -9.315 -4.311 -3.284 1.00 2.52 C ATOM 0 H LEU A 106 -7.652 -7.086 -1.651 1.00 0.49 H new ATOM 0 HA LEU A 106 -8.381 -6.744 -4.212 1.00 0.50 H new ATOM 0 HB2 LEU A 106 -7.126 -5.338 -2.062 1.00 0.62 H new ATOM 0 HB3 LEU A 106 -5.986 -5.169 -3.383 1.00 0.62 H new ATOM 0 HG LEU A 106 -7.495 -3.233 -3.290 1.00 0.94 H new ATOM 0 HD11 LEU A 106 -8.258 -3.279 -5.616 1.00 1.46 H new ATOM 0 HD12 LEU A 106 -6.622 -3.962 -5.454 1.00 1.46 H new ATOM 0 HD13 LEU A 106 -8.021 -5.042 -5.665 1.00 1.46 H new ATOM 0 HD21 LEU A 106 -9.887 -3.475 -3.686 1.00 2.52 H new ATOM 0 HD22 LEU A 106 -9.719 -5.247 -3.670 1.00 2.52 H new ATOM 0 HD23 LEU A 106 -9.383 -4.308 -2.196 1.00 2.52 H new ATOM 1634 N VAL A 107 -5.324 -7.834 -4.081 1.00 0.50 N ATOM 1635 CA VAL A 107 -4.081 -8.265 -4.716 1.00 0.52 C ATOM 1636 C VAL A 107 -4.026 -9.773 -4.972 1.00 0.58 C ATOM 1637 O VAL A 107 -3.168 -10.261 -5.709 1.00 0.66 O ATOM 1638 CB VAL A 107 -2.931 -7.832 -3.809 1.00 0.46 C ATOM 1639 CG1 VAL A 107 -2.890 -6.297 -3.724 1.00 0.51 C ATOM 1640 CG2 VAL A 107 -3.037 -8.464 -2.414 1.00 0.52 C ATOM 0 H VAL A 107 -5.343 -8.087 -3.093 1.00 0.50 H new ATOM 0 HA VAL A 107 -4.010 -7.801 -5.700 1.00 0.52 H new ATOM 0 HB VAL A 107 -1.997 -8.188 -4.244 1.00 0.46 H new ATOM 0 HG11 VAL A 107 -2.069 -5.990 -3.076 1.00 0.51 H new ATOM 0 HG12 VAL A 107 -2.741 -5.881 -4.721 1.00 0.51 H new ATOM 0 HG13 VAL A 107 -3.831 -5.930 -3.315 1.00 0.51 H new ATOM 0 HG21 VAL A 107 -2.201 -8.131 -1.799 1.00 0.52 H new ATOM 0 HG22 VAL A 107 -3.974 -8.160 -1.947 1.00 0.52 H new ATOM 0 HG23 VAL A 107 -3.012 -9.550 -2.504 1.00 0.52 H new ATOM 1650 N ALA A 108 -4.975 -10.507 -4.393 1.00 0.55 N ATOM 1651 CA ALA A 108 -5.304 -11.884 -4.729 1.00 0.58 C ATOM 1652 C ALA A 108 -6.030 -11.981 -6.076 1.00 0.75 C ATOM 1653 O ALA A 108 -5.841 -12.962 -6.787 1.00 0.95 O ATOM 1654 CB ALA A 108 -6.126 -12.466 -3.587 1.00 0.51 C ATOM 0 H ALA A 108 -5.560 -10.138 -3.643 1.00 0.55 H new ATOM 0 HA ALA A 108 -4.390 -12.466 -4.848 1.00 0.58 H new ATOM 0 HB1 ALA A 108 -6.386 -13.500 -3.816 1.00 0.51 H new ATOM 0 HB2 ALA A 108 -5.544 -12.433 -2.666 1.00 0.51 H new ATOM 0 HB3 ALA A 108 -7.038 -11.882 -3.461 1.00 0.51 H new ATOM 1660 N GLU A 109 -6.712 -10.900 -6.481 1.00 0.96 N ATOM 1661 CA GLU A 109 -7.109 -10.622 -7.870 1.00 1.34 C ATOM 1662 C GLU A 109 -5.919 -10.593 -8.857 1.00 1.72 C ATOM 1663 O GLU A 109 -6.141 -10.608 -10.064 1.00 1.91 O ATOM 1664 CB GLU A 109 -7.832 -9.266 -7.936 1.00 1.80 C ATOM 1665 CG GLU A 109 -9.183 -9.195 -7.203 1.00 1.64 C ATOM 1666 CD GLU A 109 -10.320 -8.928 -8.187 1.00 2.21 C ATOM 1667 OE1 GLU A 109 -10.575 -7.723 -8.431 1.00 2.88 O ATOM 1668 OE2 GLU A 109 -10.897 -9.910 -8.700 1.00 2.74 O ATOM 0 H GLU A 109 -7.012 -10.173 -5.832 1.00 0.96 H new ATOM 0 HA GLU A 109 -7.763 -11.440 -8.172 1.00 1.34 H new ATOM 0 HB2 GLU A 109 -7.173 -8.503 -7.521 1.00 1.80 H new ATOM 0 HB3 GLU A 109 -7.994 -9.012 -8.983 1.00 1.80 H new ATOM 0 HG2 GLU A 109 -9.365 -10.131 -6.675 1.00 1.64 H new ATOM 0 HG3 GLU A 109 -9.153 -8.406 -6.452 1.00 1.64 H new ATOM 1675 N SER A 110 -4.670 -10.549 -8.357 1.00 1.94 N ATOM 1676 CA SER A 110 -3.401 -10.790 -9.061 1.00 2.54 C ATOM 1677 C SER A 110 -3.407 -10.478 -10.559 1.00 3.26 C ATOM 1678 O SER A 110 -2.401 -9.984 -11.068 1.00 3.90 O ATOM 1679 CB SER A 110 -2.949 -12.234 -8.837 1.00 2.60 C ATOM 1680 OG SER A 110 -3.741 -13.117 -9.602 1.00 2.77 O ATOM 0 H SER A 110 -4.512 -10.327 -7.374 1.00 1.94 H new ATOM 0 HA SER A 110 -2.698 -10.080 -8.625 1.00 2.54 H new ATOM 0 HB2 SER A 110 -1.900 -12.342 -9.114 1.00 2.60 H new ATOM 0 HB3 SER A 110 -3.027 -12.487 -7.780 1.00 2.60 H new ATOM 0 HG SER A 110 -3.442 -14.038 -9.452 1.00 2.77 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -13.409 0.221 2.105 1.00 0.57 CA HETATM 1688 CA CA A 112 -6.050 8.184 7.252 1.00 0.57 CA