USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=22 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 8 ASN : amide:sc= -0.625 X(o=0.42,f=0.5) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -168:sc= 1.05 (180deg=0.939) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.49 (180deg=0.488) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -175:sc= -1.04 (180deg=-1.05) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0355) USER MOD Single : A 20 SER OG : rot 56:sc= 0.345 USER MOD Single : A 22 THR OG1 : rot 126:sc= 1.12 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.7) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 0.268 (180deg=-1.16!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00681) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 2.45 (180deg=2.04) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.12) USER MOD Single : A 49 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc=-0.00232 (180deg=-0.0558) USER MOD Single : A 56 SER OG : rot -96:sc= 0.0114 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.235 USER MOD Single : A 79 SER OG : rot -161:sc= 1.01 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 140:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -5:sc= 0.444 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.759 -1.088 16.315 1.00 4.54 N ATOM 2 CA MET A 1 6.422 -2.234 15.441 1.00 3.06 C ATOM 3 C MET A 1 7.579 -2.577 14.519 1.00 2.40 C ATOM 4 O MET A 1 8.201 -3.593 14.783 1.00 3.26 O ATOM 5 CB MET A 1 5.096 -2.052 14.679 1.00 2.43 C ATOM 6 CG MET A 1 3.920 -2.570 15.514 1.00 2.87 C ATOM 7 SD MET A 1 3.692 -1.773 17.128 1.00 4.01 S ATOM 8 CE MET A 1 2.893 -0.227 16.625 1.00 5.04 C ATOM 0 H1 MET A 1 5.945 -0.864 16.923 1.00 4.54 H new ATOM 0 H2 MET A 1 7.577 -1.333 16.908 1.00 4.54 H new ATOM 0 H3 MET A 1 6.991 -0.261 15.729 1.00 4.54 H new ATOM 0 HA MET A 1 6.257 -3.089 16.097 1.00 3.06 H new ATOM 0 HB2 MET A 1 4.946 -0.998 14.445 1.00 2.43 H new ATOM 0 HB3 MET A 1 5.139 -2.587 13.730 1.00 2.43 H new ATOM 0 HG2 MET A 1 3.005 -2.446 14.935 1.00 2.87 H new ATOM 0 HG3 MET A 1 4.054 -3.640 15.673 1.00 2.87 H new ATOM 0 HE1 MET A 1 2.686 0.379 17.507 1.00 5.04 H new ATOM 0 HE2 MET A 1 3.553 0.322 15.954 1.00 5.04 H new ATOM 0 HE3 MET A 1 1.958 -0.451 16.111 1.00 5.04 H new ATOM 20 N SER A 2 7.871 -1.748 13.502 1.00 1.93 N ATOM 21 CA SER A 2 8.889 -1.992 12.462 1.00 1.97 C ATOM 22 C SER A 2 8.404 -3.056 11.474 1.00 1.43 C ATOM 23 O SER A 2 8.445 -4.242 11.782 1.00 1.47 O ATOM 24 CB SER A 2 10.263 -2.381 13.041 1.00 3.15 C ATOM 25 OG SER A 2 10.685 -1.434 14.002 1.00 4.11 O ATOM 0 H SER A 2 7.389 -0.858 13.376 1.00 1.93 H new ATOM 0 HA SER A 2 9.028 -1.047 11.936 1.00 1.97 H new ATOM 0 HB2 SER A 2 10.205 -3.369 13.498 1.00 3.15 H new ATOM 0 HB3 SER A 2 10.997 -2.444 12.238 1.00 3.15 H new ATOM 0 HG SER A 2 11.558 -1.698 14.360 1.00 4.11 H new ATOM 31 N MET A 3 7.936 -2.651 10.285 1.00 1.21 N ATOM 32 CA MET A 3 7.353 -3.568 9.292 1.00 1.37 C ATOM 33 C MET A 3 8.236 -4.803 9.044 1.00 1.84 C ATOM 34 O MET A 3 7.753 -5.928 9.132 1.00 3.65 O ATOM 35 CB MET A 3 7.061 -2.803 7.989 1.00 1.19 C ATOM 36 CG MET A 3 6.036 -3.527 7.107 1.00 1.73 C ATOM 37 SD MET A 3 4.336 -2.916 7.254 1.00 2.15 S ATOM 38 CE MET A 3 3.988 -3.189 9.017 1.00 3.16 C ATOM 0 H MET A 3 7.951 -1.677 9.983 1.00 1.21 H new ATOM 0 HA MET A 3 6.414 -3.950 9.693 1.00 1.37 H new ATOM 0 HB2 MET A 3 6.690 -1.807 8.230 1.00 1.19 H new ATOM 0 HB3 MET A 3 7.988 -2.672 7.432 1.00 1.19 H new ATOM 0 HG2 MET A 3 6.349 -3.441 6.066 1.00 1.73 H new ATOM 0 HG3 MET A 3 6.048 -4.588 7.357 1.00 1.73 H new ATOM 0 HE1 MET A 3 2.947 -2.940 9.225 1.00 3.16 H new ATOM 0 HE2 MET A 3 4.168 -4.235 9.266 1.00 3.16 H new ATOM 0 HE3 MET A 3 4.640 -2.556 9.619 1.00 3.16 H new ATOM 48 N THR A 4 9.537 -4.561 8.848 1.00 0.77 N ATOM 49 CA THR A 4 10.687 -5.479 8.785 1.00 0.79 C ATOM 50 C THR A 4 10.718 -6.603 9.842 1.00 0.99 C ATOM 51 O THR A 4 11.361 -7.617 9.591 1.00 1.29 O ATOM 52 CB THR A 4 11.939 -4.588 8.904 1.00 0.71 C ATOM 53 OG1 THR A 4 12.036 -3.836 7.715 1.00 1.12 O ATOM 54 CG2 THR A 4 13.272 -5.297 9.141 1.00 0.98 C ATOM 0 H THR A 4 9.850 -3.600 8.713 1.00 0.77 H new ATOM 0 HA THR A 4 10.627 -6.030 7.847 1.00 0.79 H new ATOM 0 HB THR A 4 11.788 -3.990 9.803 1.00 0.71 H new ATOM 0 HG1 THR A 4 12.824 -3.255 7.759 1.00 1.12 H new ATOM 0 HG21 THR A 4 14.071 -4.558 9.206 1.00 0.98 H new ATOM 0 HG22 THR A 4 13.223 -5.861 10.072 1.00 0.98 H new ATOM 0 HG23 THR A 4 13.474 -5.978 8.314 1.00 0.98 H new ATOM 62 N ASP A 5 10.058 -6.456 10.999 1.00 0.99 N ATOM 63 CA ASP A 5 9.954 -7.503 12.028 1.00 1.19 C ATOM 64 C ASP A 5 8.939 -8.596 11.650 1.00 1.00 C ATOM 65 O ASP A 5 9.167 -9.779 11.895 1.00 1.31 O ATOM 66 CB ASP A 5 9.540 -6.835 13.350 1.00 1.42 C ATOM 67 CG ASP A 5 9.546 -7.807 14.530 1.00 1.89 C ATOM 68 OD1 ASP A 5 10.664 -8.153 14.971 1.00 1.91 O ATOM 69 OD2 ASP A 5 8.436 -8.161 14.987 1.00 3.45 O ATOM 0 H ASP A 5 9.574 -5.594 11.251 1.00 0.99 H new ATOM 0 HA ASP A 5 10.922 -7.994 12.124 1.00 1.19 H new ATOM 0 HB2 ASP A 5 10.218 -6.008 13.562 1.00 1.42 H new ATOM 0 HB3 ASP A 5 8.543 -6.409 13.240 1.00 1.42 H new ATOM 74 N LEU A 6 7.820 -8.190 11.042 1.00 0.73 N ATOM 75 CA LEU A 6 6.716 -9.060 10.632 1.00 0.83 C ATOM 76 C LEU A 6 6.921 -9.510 9.179 1.00 0.64 C ATOM 77 O LEU A 6 6.921 -10.704 8.863 1.00 0.78 O ATOM 78 CB LEU A 6 5.390 -8.286 10.808 1.00 1.14 C ATOM 79 CG LEU A 6 5.128 -7.758 12.233 1.00 1.22 C ATOM 80 CD1 LEU A 6 3.850 -6.919 12.240 1.00 1.67 C ATOM 81 CD2 LEU A 6 4.965 -8.880 13.262 1.00 2.01 C ATOM 0 H LEU A 6 7.653 -7.210 10.814 1.00 0.73 H new ATOM 0 HA LEU A 6 6.683 -9.957 11.250 1.00 0.83 H new ATOM 0 HB2 LEU A 6 5.385 -7.443 10.118 1.00 1.14 H new ATOM 0 HB3 LEU A 6 4.565 -8.938 10.521 1.00 1.14 H new ATOM 0 HG LEU A 6 5.999 -7.165 12.512 1.00 1.22 H new ATOM 0 HD11 LEU A 6 3.665 -6.546 13.247 1.00 1.67 H new ATOM 0 HD12 LEU A 6 3.963 -6.077 11.557 1.00 1.67 H new ATOM 0 HD13 LEU A 6 3.009 -7.535 11.921 1.00 1.67 H new ATOM 0 HD21 LEU A 6 4.783 -8.448 14.246 1.00 2.01 H new ATOM 0 HD22 LEU A 6 4.122 -9.511 12.981 1.00 2.01 H new ATOM 0 HD23 LEU A 6 5.874 -9.481 13.292 1.00 2.01 H new ATOM 93 N LEU A 7 7.124 -8.531 8.293 1.00 0.61 N ATOM 94 CA LEU A 7 7.495 -8.687 6.892 1.00 0.65 C ATOM 95 C LEU A 7 8.967 -9.102 6.743 1.00 0.91 C ATOM 96 O LEU A 7 9.645 -9.489 7.689 1.00 2.31 O ATOM 97 CB LEU A 7 7.141 -7.377 6.147 1.00 0.89 C ATOM 98 CG LEU A 7 5.722 -7.315 5.553 1.00 0.67 C ATOM 99 CD1 LEU A 7 5.659 -8.201 4.307 1.00 2.09 C ATOM 100 CD2 LEU A 7 4.615 -7.671 6.550 1.00 1.53 C ATOM 0 H LEU A 7 7.027 -7.550 8.555 1.00 0.61 H new ATOM 0 HA LEU A 7 6.930 -9.500 6.436 1.00 0.65 H new ATOM 0 HB2 LEU A 7 7.264 -6.542 6.837 1.00 0.89 H new ATOM 0 HB3 LEU A 7 7.860 -7.232 5.341 1.00 0.89 H new ATOM 0 HG LEU A 7 5.530 -6.277 5.282 1.00 0.67 H new ATOM 0 HD11 LEU A 7 4.656 -8.161 3.882 1.00 2.09 H new ATOM 0 HD12 LEU A 7 6.379 -7.845 3.571 1.00 2.09 H new ATOM 0 HD13 LEU A 7 5.897 -9.229 4.579 1.00 2.09 H new ATOM 0 HD21 LEU A 7 3.645 -7.604 6.056 1.00 1.53 H new ATOM 0 HD22 LEU A 7 4.767 -8.687 6.915 1.00 1.53 H new ATOM 0 HD23 LEU A 7 4.644 -6.976 7.389 1.00 1.53 H new ATOM 112 N ASN A 8 9.466 -9.112 5.510 1.00 0.64 N ATOM 113 CA ASN A 8 10.882 -9.264 5.204 1.00 0.50 C ATOM 114 C ASN A 8 11.356 -7.966 4.546 1.00 0.47 C ATOM 115 O ASN A 8 10.840 -7.588 3.494 1.00 0.51 O ATOM 116 CB ASN A 8 11.063 -10.496 4.295 1.00 0.56 C ATOM 117 CG ASN A 8 10.928 -11.855 4.980 1.00 0.75 C ATOM 118 OD1 ASN A 8 11.202 -12.888 4.394 1.00 2.10 O ATOM 119 ND2 ASN A 8 10.437 -11.949 6.199 1.00 1.96 N ATOM 0 H ASN A 8 8.883 -9.012 4.679 1.00 0.64 H new ATOM 0 HA ASN A 8 11.483 -9.433 6.097 1.00 0.50 H new ATOM 0 HB2 ASN A 8 10.329 -10.441 3.491 1.00 0.56 H new ATOM 0 HB3 ASN A 8 12.048 -10.440 3.832 1.00 0.56 H new ATOM 0 HD21 ASN A 8 10.297 -12.866 6.623 1.00 1.96 H new ATOM 0 HD22 ASN A 8 10.197 -11.105 6.718 1.00 1.96 H new ATOM 126 N ALA A 9 12.332 -7.283 5.158 1.00 0.43 N ATOM 127 CA ALA A 9 12.948 -6.080 4.587 1.00 0.43 C ATOM 128 C ALA A 9 13.395 -6.281 3.123 1.00 0.39 C ATOM 129 O ALA A 9 13.201 -5.406 2.280 1.00 0.47 O ATOM 130 CB ALA A 9 14.151 -5.678 5.444 1.00 0.49 C ATOM 0 H ALA A 9 12.717 -7.550 6.064 1.00 0.43 H new ATOM 0 HA ALA A 9 12.196 -5.291 4.586 1.00 0.43 H new ATOM 0 HB1 ALA A 9 14.614 -4.784 5.025 1.00 0.49 H new ATOM 0 HB2 ALA A 9 13.820 -5.472 6.462 1.00 0.49 H new ATOM 0 HB3 ALA A 9 14.877 -6.491 5.456 1.00 0.49 H new ATOM 136 N GLU A 10 13.972 -7.452 2.823 1.00 0.33 N ATOM 137 CA GLU A 10 14.436 -7.844 1.490 1.00 0.34 C ATOM 138 C GLU A 10 13.302 -7.924 0.454 1.00 0.32 C ATOM 139 O GLU A 10 13.502 -7.564 -0.711 1.00 0.47 O ATOM 140 CB GLU A 10 15.173 -9.185 1.610 1.00 0.46 C ATOM 141 CG GLU A 10 15.890 -9.558 0.303 1.00 2.19 C ATOM 142 CD GLU A 10 17.213 -10.280 0.573 1.00 2.57 C ATOM 143 OE1 GLU A 10 18.147 -9.581 1.023 1.00 3.39 O ATOM 144 OE2 GLU A 10 17.280 -11.498 0.299 1.00 3.19 O ATOM 0 H GLU A 10 14.133 -8.174 3.525 1.00 0.33 H new ATOM 0 HA GLU A 10 15.110 -7.071 1.121 1.00 0.34 H new ATOM 0 HB2 GLU A 10 15.899 -9.130 2.421 1.00 0.46 H new ATOM 0 HB3 GLU A 10 14.462 -9.969 1.872 1.00 0.46 H new ATOM 0 HG2 GLU A 10 15.243 -10.196 -0.299 1.00 2.19 H new ATOM 0 HG3 GLU A 10 16.079 -8.656 -0.279 1.00 2.19 H new ATOM 151 N ASP A 11 12.111 -8.344 0.890 1.00 0.29 N ATOM 152 CA ASP A 11 10.891 -8.353 0.092 1.00 0.30 C ATOM 153 C ASP A 11 10.360 -6.907 -0.041 1.00 0.27 C ATOM 154 O ASP A 11 10.038 -6.475 -1.149 1.00 0.29 O ATOM 155 CB ASP A 11 9.832 -9.308 0.691 1.00 0.35 C ATOM 156 CG ASP A 11 10.213 -10.787 0.904 1.00 0.70 C ATOM 157 OD1 ASP A 11 11.415 -11.119 0.888 1.00 1.88 O ATOM 158 OD2 ASP A 11 9.281 -11.588 1.172 1.00 1.71 O ATOM 0 H ASP A 11 11.970 -8.697 1.837 1.00 0.29 H new ATOM 0 HA ASP A 11 11.116 -8.733 -0.904 1.00 0.30 H new ATOM 0 HB2 ASP A 11 9.527 -8.902 1.655 1.00 0.35 H new ATOM 0 HB3 ASP A 11 8.956 -9.281 0.042 1.00 0.35 H new ATOM 163 N ILE A 12 10.344 -6.114 1.051 1.00 0.28 N ATOM 164 CA ILE A 12 10.035 -4.665 1.031 1.00 0.31 C ATOM 165 C ILE A 12 10.907 -3.893 0.039 1.00 0.30 C ATOM 166 O ILE A 12 10.396 -3.008 -0.644 1.00 0.32 O ATOM 167 CB ILE A 12 10.035 -4.039 2.456 1.00 0.41 C ATOM 168 CG1 ILE A 12 8.595 -3.884 2.995 1.00 0.55 C ATOM 169 CG2 ILE A 12 10.674 -2.646 2.546 1.00 0.49 C ATOM 170 CD1 ILE A 12 8.135 -5.169 3.663 1.00 0.62 C ATOM 0 H ILE A 12 10.548 -6.466 1.986 1.00 0.28 H new ATOM 0 HA ILE A 12 9.013 -4.572 0.663 1.00 0.31 H new ATOM 0 HB ILE A 12 10.631 -4.738 3.043 1.00 0.41 H new ATOM 0 HG12 ILE A 12 8.554 -3.061 3.709 1.00 0.55 H new ATOM 0 HG13 ILE A 12 7.920 -3.630 2.178 1.00 0.55 H new ATOM 0 HG21 ILE A 12 10.628 -2.291 3.575 1.00 0.49 H new ATOM 0 HG22 ILE A 12 11.715 -2.702 2.227 1.00 0.49 H new ATOM 0 HG23 ILE A 12 10.133 -1.955 1.899 1.00 0.49 H new ATOM 0 HD11 ILE A 12 7.119 -5.041 4.037 1.00 0.62 H new ATOM 0 HD12 ILE A 12 8.156 -5.983 2.939 1.00 0.62 H new ATOM 0 HD13 ILE A 12 8.800 -5.405 4.494 1.00 0.62 H new ATOM 182 N LYS A 13 12.189 -4.244 -0.108 1.00 0.33 N ATOM 183 CA LYS A 13 13.051 -3.692 -1.154 1.00 0.41 C ATOM 184 C LYS A 13 12.410 -3.842 -2.544 1.00 0.48 C ATOM 185 O LYS A 13 12.279 -2.850 -3.264 1.00 0.59 O ATOM 186 CB LYS A 13 14.468 -4.275 -0.987 1.00 0.49 C ATOM 187 CG LYS A 13 15.304 -4.489 -2.255 1.00 1.32 C ATOM 188 CD LYS A 13 15.502 -3.231 -3.116 1.00 2.09 C ATOM 189 CE LYS A 13 16.810 -3.294 -3.908 1.00 2.76 C ATOM 190 NZ LYS A 13 16.917 -2.148 -4.842 1.00 3.80 N ATOM 0 H LYS A 13 12.657 -4.920 0.496 1.00 0.33 H new ATOM 0 HA LYS A 13 13.160 -2.612 -1.052 1.00 0.41 H new ATOM 0 HB2 LYS A 13 15.027 -3.614 -0.324 1.00 0.49 H new ATOM 0 HB3 LYS A 13 14.378 -5.235 -0.478 1.00 0.49 H new ATOM 0 HG2 LYS A 13 16.283 -4.873 -1.968 1.00 1.32 H new ATOM 0 HG3 LYS A 13 14.826 -5.257 -2.863 1.00 1.32 H new ATOM 0 HD2 LYS A 13 14.663 -3.124 -3.804 1.00 2.09 H new ATOM 0 HD3 LYS A 13 15.504 -2.348 -2.477 1.00 2.09 H new ATOM 0 HE2 LYS A 13 17.656 -3.289 -3.221 1.00 2.76 H new ATOM 0 HE3 LYS A 13 16.858 -4.229 -4.466 1.00 2.76 H new ATOM 0 HZ1 LYS A 13 17.812 -2.211 -5.368 1.00 3.80 H new ATOM 0 HZ2 LYS A 13 16.120 -2.169 -5.510 1.00 3.80 H new ATOM 0 HZ3 LYS A 13 16.894 -1.258 -4.304 1.00 3.80 H new ATOM 204 N LYS A 14 11.974 -5.053 -2.918 1.00 0.47 N ATOM 205 CA LYS A 14 11.272 -5.286 -4.193 1.00 0.56 C ATOM 206 C LYS A 14 9.881 -4.649 -4.219 1.00 0.57 C ATOM 207 O LYS A 14 9.460 -4.190 -5.276 1.00 0.68 O ATOM 208 CB LYS A 14 11.208 -6.788 -4.509 1.00 0.61 C ATOM 209 CG LYS A 14 12.601 -7.368 -4.819 1.00 0.74 C ATOM 210 CD LYS A 14 12.885 -8.637 -4.002 1.00 1.43 C ATOM 211 CE LYS A 14 14.309 -9.165 -4.220 1.00 2.27 C ATOM 212 NZ LYS A 14 15.324 -8.274 -3.608 1.00 3.58 N ATOM 0 H LYS A 14 12.095 -5.893 -2.353 1.00 0.47 H new ATOM 0 HA LYS A 14 11.850 -4.795 -4.976 1.00 0.56 H new ATOM 0 HB2 LYS A 14 10.773 -7.319 -3.662 1.00 0.61 H new ATOM 0 HB3 LYS A 14 10.548 -6.952 -5.361 1.00 0.61 H new ATOM 0 HG2 LYS A 14 12.671 -7.597 -5.882 1.00 0.74 H new ATOM 0 HG3 LYS A 14 13.363 -6.619 -4.604 1.00 0.74 H new ATOM 0 HD2 LYS A 14 12.737 -8.425 -2.943 1.00 1.43 H new ATOM 0 HD3 LYS A 14 12.167 -9.411 -4.276 1.00 1.43 H new ATOM 0 HE2 LYS A 14 14.396 -10.164 -3.792 1.00 2.27 H new ATOM 0 HE3 LYS A 14 14.503 -9.258 -5.289 1.00 2.27 H new ATOM 0 HZ1 LYS A 14 16.261 -8.720 -3.671 1.00 3.58 H new ATOM 0 HZ2 LYS A 14 15.338 -7.365 -4.114 1.00 3.58 H new ATOM 0 HZ3 LYS A 14 15.085 -8.111 -2.609 1.00 3.58 H new ATOM 226 N ALA A 15 9.213 -4.546 -3.070 1.00 0.49 N ATOM 227 CA ALA A 15 7.955 -3.827 -2.908 1.00 0.53 C ATOM 228 C ALA A 15 8.072 -2.357 -3.302 1.00 0.46 C ATOM 229 O ALA A 15 7.412 -1.922 -4.239 1.00 0.49 O ATOM 230 CB ALA A 15 7.482 -3.946 -1.464 1.00 0.56 C ATOM 0 H ALA A 15 9.543 -4.973 -2.204 1.00 0.49 H new ATOM 0 HA ALA A 15 7.225 -4.281 -3.578 1.00 0.53 H new ATOM 0 HB1 ALA A 15 6.542 -3.408 -1.344 1.00 0.56 H new ATOM 0 HB2 ALA A 15 7.334 -4.997 -1.215 1.00 0.56 H new ATOM 0 HB3 ALA A 15 8.232 -3.518 -0.799 1.00 0.56 H new ATOM 236 N VAL A 16 8.922 -1.589 -2.610 1.00 0.39 N ATOM 237 CA VAL A 16 9.101 -0.166 -2.906 1.00 0.38 C ATOM 238 C VAL A 16 9.507 -0.001 -4.373 1.00 0.42 C ATOM 239 O VAL A 16 8.882 0.782 -5.083 1.00 0.59 O ATOM 240 CB VAL A 16 10.084 0.511 -1.930 1.00 0.37 C ATOM 241 CG1 VAL A 16 10.158 2.019 -2.152 1.00 0.64 C ATOM 242 CG2 VAL A 16 9.670 0.337 -0.464 1.00 0.66 C ATOM 0 H VAL A 16 9.497 -1.932 -1.840 1.00 0.39 H new ATOM 0 HA VAL A 16 8.153 0.350 -2.757 1.00 0.38 H new ATOM 0 HB VAL A 16 11.040 0.026 -2.128 1.00 0.37 H new ATOM 0 HG11 VAL A 16 10.862 2.457 -1.444 1.00 0.64 H new ATOM 0 HG12 VAL A 16 10.494 2.221 -3.169 1.00 0.64 H new ATOM 0 HG13 VAL A 16 9.172 2.458 -2.002 1.00 0.64 H new ATOM 0 HG21 VAL A 16 10.396 0.833 0.180 1.00 0.66 H new ATOM 0 HG22 VAL A 16 8.686 0.779 -0.309 1.00 0.66 H new ATOM 0 HG23 VAL A 16 9.633 -0.725 -0.220 1.00 0.66 H new ATOM 252 N GLY A 17 10.421 -0.850 -4.864 1.00 0.36 N ATOM 253 CA GLY A 17 10.858 -0.866 -6.261 1.00 0.39 C ATOM 254 C GLY A 17 9.732 -1.119 -7.272 1.00 0.44 C ATOM 255 O GLY A 17 9.837 -0.678 -8.414 1.00 0.63 O ATOM 0 H GLY A 17 10.883 -1.555 -4.290 1.00 0.36 H new ATOM 0 HA2 GLY A 17 11.331 0.089 -6.493 1.00 0.39 H new ATOM 0 HA3 GLY A 17 11.619 -1.636 -6.383 1.00 0.39 H new ATOM 259 N ALA A 18 8.644 -1.784 -6.865 1.00 0.42 N ATOM 260 CA ALA A 18 7.460 -2.001 -7.688 1.00 0.48 C ATOM 261 C ALA A 18 6.586 -0.742 -7.852 1.00 0.47 C ATOM 262 O ALA A 18 5.837 -0.676 -8.823 1.00 0.95 O ATOM 263 CB ALA A 18 6.660 -3.163 -7.087 1.00 0.57 C ATOM 0 H ALA A 18 8.566 -2.193 -5.934 1.00 0.42 H new ATOM 0 HA ALA A 18 7.789 -2.248 -8.698 1.00 0.48 H new ATOM 0 HB1 ALA A 18 5.769 -3.341 -7.689 1.00 0.57 H new ATOM 0 HB2 ALA A 18 7.276 -4.062 -7.076 1.00 0.57 H new ATOM 0 HB3 ALA A 18 6.365 -2.913 -6.068 1.00 0.57 H new ATOM 269 N PHE A 19 6.694 0.255 -6.954 1.00 0.39 N ATOM 270 CA PHE A 19 5.991 1.550 -7.038 1.00 0.45 C ATOM 271 C PHE A 19 6.954 2.757 -7.171 1.00 0.50 C ATOM 272 O PHE A 19 6.472 3.884 -7.262 1.00 0.66 O ATOM 273 CB PHE A 19 5.061 1.762 -5.820 1.00 0.46 C ATOM 274 CG PHE A 19 3.936 0.769 -5.537 1.00 0.49 C ATOM 275 CD1 PHE A 19 3.464 -0.111 -6.526 1.00 2.26 C ATOM 276 CD2 PHE A 19 3.306 0.763 -4.272 1.00 1.75 C ATOM 277 CE1 PHE A 19 2.440 -1.017 -6.226 1.00 2.40 C ATOM 278 CE2 PHE A 19 2.272 -0.141 -3.970 1.00 1.66 C ATOM 279 CZ PHE A 19 1.845 -1.041 -4.955 1.00 0.79 C ATOM 0 H PHE A 19 7.288 0.181 -6.128 1.00 0.39 H new ATOM 0 HA PHE A 19 5.394 1.504 -7.949 1.00 0.45 H new ATOM 0 HB2 PHE A 19 5.692 1.798 -4.932 1.00 0.46 H new ATOM 0 HB3 PHE A 19 4.605 2.746 -5.927 1.00 0.46 H new ATOM 0 HD1 PHE A 19 3.891 -0.088 -7.518 1.00 2.26 H new ATOM 0 HD2 PHE A 19 3.626 1.469 -3.520 1.00 1.75 H new ATOM 0 HE1 PHE A 19 2.103 -1.708 -6.984 1.00 2.40 H new ATOM 0 HE2 PHE A 19 1.813 -0.141 -2.992 1.00 1.66 H new ATOM 0 HZ PHE A 19 1.061 -1.751 -4.737 1.00 0.79 H new ATOM 289 N SER A 20 8.289 2.566 -7.197 1.00 0.50 N ATOM 290 CA SER A 20 9.341 3.586 -7.427 1.00 0.59 C ATOM 291 C SER A 20 9.286 4.208 -8.843 1.00 0.60 C ATOM 292 O SER A 20 10.266 4.196 -9.588 1.00 0.71 O ATOM 293 CB SER A 20 10.746 2.996 -7.153 1.00 0.73 C ATOM 294 OG SER A 20 11.008 2.802 -5.778 1.00 1.84 O ATOM 0 H SER A 20 8.689 1.640 -7.049 1.00 0.50 H new ATOM 0 HA SER A 20 9.144 4.393 -6.721 1.00 0.59 H new ATOM 0 HB2 SER A 20 10.841 2.043 -7.673 1.00 0.73 H new ATOM 0 HB3 SER A 20 11.501 3.663 -7.570 1.00 0.73 H new ATOM 0 HG SER A 20 10.306 2.240 -5.387 1.00 1.84 H new ATOM 300 N ALA A 21 8.134 4.763 -9.218 1.00 0.60 N ATOM 301 CA ALA A 21 7.821 5.374 -10.504 1.00 0.76 C ATOM 302 C ALA A 21 6.762 6.484 -10.337 1.00 0.84 C ATOM 303 O ALA A 21 6.397 6.840 -9.218 1.00 1.43 O ATOM 304 CB ALA A 21 7.355 4.256 -11.448 1.00 0.82 C ATOM 0 H ALA A 21 7.338 4.799 -8.582 1.00 0.60 H new ATOM 0 HA ALA A 21 8.699 5.859 -10.930 1.00 0.76 H new ATOM 0 HB1 ALA A 21 7.112 4.680 -12.422 1.00 0.82 H new ATOM 0 HB2 ALA A 21 8.151 3.520 -11.561 1.00 0.82 H new ATOM 0 HB3 ALA A 21 6.471 3.773 -11.032 1.00 0.82 H new ATOM 310 N THR A 22 6.287 7.061 -11.448 1.00 0.70 N ATOM 311 CA THR A 22 5.213 8.061 -11.458 1.00 0.74 C ATOM 312 C THR A 22 3.851 7.405 -11.201 1.00 1.19 C ATOM 313 O THR A 22 3.322 7.487 -10.096 1.00 2.74 O ATOM 314 CB THR A 22 5.224 8.860 -12.780 1.00 0.63 C ATOM 315 OG1 THR A 22 5.248 8.007 -13.907 1.00 0.87 O ATOM 316 CG2 THR A 22 6.438 9.782 -12.865 1.00 1.10 C ATOM 0 H THR A 22 6.643 6.843 -12.378 1.00 0.70 H new ATOM 0 HA THR A 22 5.391 8.766 -10.646 1.00 0.74 H new ATOM 0 HB THR A 22 4.307 9.449 -12.783 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.502 8.230 -14.502 1.00 0.87 H new ATOM 0 HG21 THR A 22 6.414 10.329 -13.808 1.00 1.10 H new ATOM 0 HG22 THR A 22 6.417 10.488 -12.035 1.00 1.10 H new ATOM 0 HG23 THR A 22 7.350 9.188 -12.813 1.00 1.10 H new ATOM 324 N ASP A 23 3.286 6.777 -12.232 1.00 0.58 N ATOM 325 CA ASP A 23 1.917 6.261 -12.354 1.00 0.59 C ATOM 326 C ASP A 23 1.914 4.724 -12.509 1.00 0.60 C ATOM 327 O ASP A 23 0.862 4.088 -12.527 1.00 0.92 O ATOM 328 CB ASP A 23 1.184 6.950 -13.532 1.00 0.67 C ATOM 329 CG ASP A 23 1.889 8.207 -14.086 1.00 1.83 C ATOM 330 OD1 ASP A 23 2.967 8.043 -14.708 1.00 3.03 O ATOM 331 OD2 ASP A 23 1.418 9.334 -13.800 1.00 2.71 O ATOM 0 H ASP A 23 3.821 6.599 -13.082 1.00 0.58 H new ATOM 0 HA ASP A 23 1.377 6.495 -11.436 1.00 0.59 H new ATOM 0 HB2 ASP A 23 1.068 6.229 -14.341 1.00 0.67 H new ATOM 0 HB3 ASP A 23 0.181 7.227 -13.206 1.00 0.67 H new ATOM 336 N SER A 24 3.107 4.127 -12.618 1.00 0.59 N ATOM 337 CA SER A 24 3.369 2.689 -12.682 1.00 0.68 C ATOM 338 C SER A 24 3.131 2.052 -11.315 1.00 1.00 C ATOM 339 O SER A 24 4.050 1.897 -10.511 1.00 2.13 O ATOM 340 CB SER A 24 4.793 2.408 -13.188 1.00 0.74 C ATOM 341 OG SER A 24 4.764 2.023 -14.544 1.00 1.27 O ATOM 0 H SER A 24 3.968 4.672 -12.667 1.00 0.59 H new ATOM 0 HA SER A 24 2.677 2.241 -13.395 1.00 0.68 H new ATOM 0 HB2 SER A 24 5.411 3.298 -13.069 1.00 0.74 H new ATOM 0 HB3 SER A 24 5.250 1.620 -12.589 1.00 0.74 H new ATOM 0 HG SER A 24 5.677 1.849 -14.854 1.00 1.27 H new ATOM 347 N PHE A 25 1.874 1.696 -11.067 1.00 0.63 N ATOM 348 CA PHE A 25 1.448 0.950 -9.887 1.00 0.69 C ATOM 349 C PHE A 25 1.085 -0.505 -10.237 1.00 0.90 C ATOM 350 O PHE A 25 0.932 -0.858 -11.404 1.00 2.11 O ATOM 351 CB PHE A 25 0.256 1.683 -9.272 1.00 0.74 C ATOM 352 CG PHE A 25 0.001 1.377 -7.811 1.00 0.94 C ATOM 353 CD1 PHE A 25 0.709 2.083 -6.823 1.00 2.01 C ATOM 354 CD2 PHE A 25 -0.966 0.428 -7.434 1.00 1.65 C ATOM 355 CE1 PHE A 25 0.432 1.865 -5.465 1.00 2.23 C ATOM 356 CE2 PHE A 25 -1.215 0.182 -6.073 1.00 1.70 C ATOM 357 CZ PHE A 25 -0.532 0.914 -5.087 1.00 1.43 C ATOM 0 H PHE A 25 1.104 1.924 -11.696 1.00 0.63 H new ATOM 0 HA PHE A 25 2.267 0.898 -9.170 1.00 0.69 H new ATOM 0 HB2 PHE A 25 0.413 2.756 -9.381 1.00 0.74 H new ATOM 0 HB3 PHE A 25 -0.639 1.432 -9.842 1.00 0.74 H new ATOM 0 HD1 PHE A 25 1.468 2.795 -7.110 1.00 2.01 H new ATOM 0 HD2 PHE A 25 -1.517 -0.111 -8.190 1.00 1.65 H new ATOM 0 HE1 PHE A 25 0.960 2.428 -4.709 1.00 2.23 H new ATOM 0 HE2 PHE A 25 -1.933 -0.571 -5.784 1.00 1.70 H new ATOM 0 HZ PHE A 25 -0.747 0.747 -4.042 1.00 1.43 H new ATOM 367 N ASP A 26 0.913 -1.343 -9.210 1.00 0.78 N ATOM 368 CA ASP A 26 0.463 -2.738 -9.297 1.00 1.03 C ATOM 369 C ASP A 26 0.266 -3.320 -7.883 1.00 0.93 C ATOM 370 O ASP A 26 1.180 -3.940 -7.329 1.00 0.87 O ATOM 371 CB ASP A 26 1.481 -3.594 -10.090 1.00 1.37 C ATOM 372 CG ASP A 26 1.078 -3.966 -11.514 1.00 1.97 C ATOM 373 OD1 ASP A 26 -0.136 -4.011 -11.819 1.00 3.32 O ATOM 374 OD2 ASP A 26 1.950 -4.540 -12.213 1.00 2.27 O ATOM 0 H ASP A 26 1.092 -1.054 -8.248 1.00 0.78 H new ATOM 0 HA ASP A 26 -0.490 -2.761 -9.826 1.00 1.03 H new ATOM 0 HB2 ASP A 26 2.426 -3.053 -10.131 1.00 1.37 H new ATOM 0 HB3 ASP A 26 1.664 -4.513 -9.534 1.00 1.37 H new ATOM 379 N HIS A 27 -0.917 -3.142 -7.276 1.00 1.06 N ATOM 380 CA HIS A 27 -1.220 -3.693 -5.942 1.00 1.04 C ATOM 381 C HIS A 27 -0.875 -5.189 -5.861 1.00 0.77 C ATOM 382 O HIS A 27 -0.162 -5.602 -4.948 1.00 0.61 O ATOM 383 CB HIS A 27 -2.669 -3.387 -5.509 1.00 1.25 C ATOM 384 CG HIS A 27 -3.710 -3.378 -6.599 1.00 1.84 C ATOM 385 ND1 HIS A 27 -4.447 -4.454 -7.050 1.00 2.99 N ATOM 386 CD2 HIS A 27 -4.150 -2.268 -7.271 1.00 2.62 C ATOM 387 CE1 HIS A 27 -5.277 -4.001 -8.005 1.00 3.61 C ATOM 388 NE2 HIS A 27 -5.134 -2.679 -8.170 1.00 3.49 N ATOM 0 H HIS A 27 -1.687 -2.616 -7.690 1.00 1.06 H new ATOM 0 HA HIS A 27 -0.578 -3.187 -5.221 1.00 1.04 H new ATOM 0 HB2 HIS A 27 -2.964 -4.123 -4.762 1.00 1.25 H new ATOM 0 HB3 HIS A 27 -2.680 -2.413 -5.019 1.00 1.25 H new ATOM 0 HD2 HIS A 27 -3.798 -1.257 -7.130 1.00 2.62 H new ATOM 0 HE1 HIS A 27 -5.965 -4.618 -8.563 1.00 3.61 H new ATOM 0 HE2 HIS A 27 -5.645 -2.088 -8.826 1.00 3.49 H new ATOM 396 N LYS A 28 -1.283 -5.958 -6.882 1.00 0.74 N ATOM 397 CA LYS A 28 -0.819 -7.319 -7.198 1.00 0.61 C ATOM 398 C LYS A 28 0.695 -7.494 -7.076 1.00 0.42 C ATOM 399 O LYS A 28 1.155 -8.148 -6.143 1.00 0.60 O ATOM 400 CB LYS A 28 -1.303 -7.778 -8.585 1.00 0.86 C ATOM 401 CG LYS A 28 -1.509 -6.655 -9.618 1.00 1.38 C ATOM 402 CD LYS A 28 -1.429 -7.138 -11.076 1.00 2.38 C ATOM 403 CE LYS A 28 0.021 -7.176 -11.581 1.00 3.56 C ATOM 404 NZ LYS A 28 0.172 -6.423 -12.846 1.00 4.55 N ATOM 0 H LYS A 28 -1.984 -5.630 -7.546 1.00 0.74 H new ATOM 0 HA LYS A 28 -1.270 -7.959 -6.439 1.00 0.61 H new ATOM 0 HB2 LYS A 28 -0.581 -8.489 -8.986 1.00 0.86 H new ATOM 0 HB3 LYS A 28 -2.244 -8.314 -8.464 1.00 0.86 H new ATOM 0 HG2 LYS A 28 -2.481 -6.192 -9.450 1.00 1.38 H new ATOM 0 HG3 LYS A 28 -0.757 -5.883 -9.458 1.00 1.38 H new ATOM 0 HD2 LYS A 28 -1.868 -8.132 -11.155 1.00 2.38 H new ATOM 0 HD3 LYS A 28 -2.019 -6.477 -11.711 1.00 2.38 H new ATOM 0 HE2 LYS A 28 0.683 -6.755 -10.824 1.00 3.56 H new ATOM 0 HE3 LYS A 28 0.328 -8.211 -11.733 1.00 3.56 H new ATOM 0 HZ1 LYS A 28 1.160 -6.117 -12.952 1.00 4.55 H new ATOM 0 HZ2 LYS A 28 -0.090 -7.033 -13.647 1.00 4.55 H new ATOM 0 HZ3 LYS A 28 -0.448 -5.588 -12.829 1.00 4.55 H new ATOM 418 N LYS A 29 1.457 -6.964 -8.042 1.00 0.43 N ATOM 419 CA LYS A 29 2.891 -7.206 -8.189 1.00 0.43 C ATOM 420 C LYS A 29 3.661 -6.785 -6.946 1.00 0.38 C ATOM 421 O LYS A 29 4.549 -7.518 -6.530 1.00 0.50 O ATOM 422 CB LYS A 29 3.401 -6.490 -9.446 1.00 0.61 C ATOM 423 CG LYS A 29 4.646 -7.152 -10.036 1.00 0.88 C ATOM 424 CD LYS A 29 4.912 -6.574 -11.434 1.00 1.39 C ATOM 425 CE LYS A 29 5.812 -7.519 -12.229 1.00 1.76 C ATOM 426 NZ LYS A 29 7.201 -7.015 -12.340 1.00 2.96 N ATOM 0 H LYS A 29 1.081 -6.341 -8.757 1.00 0.43 H new ATOM 0 HA LYS A 29 3.059 -8.277 -8.304 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.611 -6.476 -10.197 1.00 0.61 H new ATOM 0 HB3 LYS A 29 3.627 -5.452 -9.202 1.00 0.61 H new ATOM 0 HG2 LYS A 29 5.506 -6.979 -9.389 1.00 0.88 H new ATOM 0 HG3 LYS A 29 4.504 -8.231 -10.097 1.00 0.88 H new ATOM 0 HD2 LYS A 29 3.969 -6.427 -11.961 1.00 1.39 H new ATOM 0 HD3 LYS A 29 5.384 -5.596 -11.348 1.00 1.39 H new ATOM 0 HE2 LYS A 29 5.821 -8.498 -11.749 1.00 1.76 H new ATOM 0 HE3 LYS A 29 5.397 -7.657 -13.228 1.00 1.76 H new ATOM 0 HZ1 LYS A 29 7.772 -7.690 -12.887 1.00 2.96 H new ATOM 0 HZ2 LYS A 29 7.198 -6.093 -12.821 1.00 2.96 H new ATOM 0 HZ3 LYS A 29 7.608 -6.908 -11.389 1.00 2.96 H new ATOM 440 N PHE A 30 3.262 -5.673 -6.318 1.00 0.34 N ATOM 441 CA PHE A 30 3.734 -5.270 -5.000 1.00 0.36 C ATOM 442 C PHE A 30 3.482 -6.365 -3.970 1.00 0.36 C ATOM 443 O PHE A 30 4.458 -6.941 -3.506 1.00 0.48 O ATOM 444 CB PHE A 30 3.085 -3.946 -4.608 1.00 0.44 C ATOM 445 CG PHE A 30 3.563 -3.335 -3.303 1.00 0.50 C ATOM 446 CD1 PHE A 30 3.013 -3.733 -2.069 1.00 1.89 C ATOM 447 CD2 PHE A 30 4.533 -2.320 -3.326 1.00 1.56 C ATOM 448 CE1 PHE A 30 3.435 -3.124 -0.874 1.00 1.97 C ATOM 449 CE2 PHE A 30 4.960 -1.716 -2.131 1.00 1.58 C ATOM 450 CZ PHE A 30 4.413 -2.117 -0.903 1.00 0.82 C ATOM 0 H PHE A 30 2.591 -5.021 -6.723 1.00 0.34 H new ATOM 0 HA PHE A 30 4.813 -5.120 -5.033 1.00 0.36 H new ATOM 0 HB2 PHE A 30 3.259 -3.227 -5.409 1.00 0.44 H new ATOM 0 HB3 PHE A 30 2.007 -4.097 -4.543 1.00 0.44 H new ATOM 0 HD1 PHE A 30 2.263 -4.510 -2.040 1.00 1.89 H new ATOM 0 HD2 PHE A 30 4.954 -2.001 -4.268 1.00 1.56 H new ATOM 0 HE1 PHE A 30 3.006 -3.431 0.068 1.00 1.97 H new ATOM 0 HE2 PHE A 30 5.711 -0.941 -2.158 1.00 1.58 H new ATOM 0 HZ PHE A 30 4.742 -1.654 0.015 1.00 0.82 H new ATOM 460 N PHE A 31 2.215 -6.685 -3.641 1.00 0.32 N ATOM 461 CA PHE A 31 1.856 -7.673 -2.611 1.00 0.31 C ATOM 462 C PHE A 31 2.448 -9.065 -2.847 1.00 0.31 C ATOM 463 O PHE A 31 2.685 -9.797 -1.886 1.00 0.37 O ATOM 464 CB PHE A 31 0.340 -7.798 -2.463 1.00 0.37 C ATOM 465 CG PHE A 31 -0.249 -6.981 -1.331 1.00 0.51 C ATOM 466 CD1 PHE A 31 -0.263 -5.578 -1.403 1.00 1.75 C ATOM 467 CD2 PHE A 31 -0.830 -7.626 -0.222 1.00 2.21 C ATOM 468 CE1 PHE A 31 -0.834 -4.827 -0.362 1.00 1.77 C ATOM 469 CE2 PHE A 31 -1.409 -6.879 0.815 1.00 2.32 C ATOM 470 CZ PHE A 31 -1.406 -5.478 0.746 1.00 0.91 C ATOM 0 H PHE A 31 1.405 -6.258 -4.090 1.00 0.32 H new ATOM 0 HA PHE A 31 2.295 -7.285 -1.692 1.00 0.31 H new ATOM 0 HB2 PHE A 31 -0.130 -7.493 -3.398 1.00 0.37 H new ATOM 0 HB3 PHE A 31 0.088 -8.847 -2.307 1.00 0.37 H new ATOM 0 HD1 PHE A 31 0.165 -5.077 -2.259 1.00 1.75 H new ATOM 0 HD2 PHE A 31 -0.830 -8.705 -0.169 1.00 2.21 H new ATOM 0 HE1 PHE A 31 -0.834 -3.748 -0.413 1.00 1.77 H new ATOM 0 HE2 PHE A 31 -1.855 -7.380 1.662 1.00 2.32 H new ATOM 0 HZ PHE A 31 -1.844 -4.898 1.545 1.00 0.91 H new ATOM 480 N GLN A 32 2.681 -9.425 -4.109 1.00 0.30 N ATOM 481 CA GLN A 32 3.355 -10.650 -4.517 1.00 0.36 C ATOM 482 C GLN A 32 4.874 -10.552 -4.267 1.00 0.39 C ATOM 483 O GLN A 32 5.420 -11.386 -3.549 1.00 0.41 O ATOM 484 CB GLN A 32 3.019 -10.910 -5.999 1.00 0.44 C ATOM 485 CG GLN A 32 1.529 -11.264 -6.214 1.00 0.57 C ATOM 486 CD GLN A 32 1.013 -10.971 -7.626 1.00 1.06 C ATOM 487 OE1 GLN A 32 1.742 -10.676 -8.561 1.00 2.17 O ATOM 488 NE2 GLN A 32 -0.289 -11.029 -7.841 1.00 1.10 N ATOM 0 H GLN A 32 2.394 -8.849 -4.900 1.00 0.30 H new ATOM 0 HA GLN A 32 3.006 -11.494 -3.922 1.00 0.36 H new ATOM 0 HB2 GLN A 32 3.267 -10.025 -6.585 1.00 0.44 H new ATOM 0 HB3 GLN A 32 3.640 -11.724 -6.372 1.00 0.44 H new ATOM 0 HG2 GLN A 32 1.384 -12.322 -5.998 1.00 0.57 H new ATOM 0 HG3 GLN A 32 0.927 -10.707 -5.496 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -0.921 -11.273 -7.079 1.00 1.10 H new ATOM 0 HE22 GLN A 32 -0.662 -10.830 -8.769 1.00 1.10 H new ATOM 497 N MET A 33 5.554 -9.526 -4.800 1.00 0.42 N ATOM 498 CA MET A 33 7.009 -9.301 -4.652 1.00 0.47 C ATOM 499 C MET A 33 7.453 -9.057 -3.204 1.00 0.48 C ATOM 500 O MET A 33 8.464 -9.602 -2.769 1.00 0.53 O ATOM 501 CB MET A 33 7.464 -8.093 -5.488 1.00 0.50 C ATOM 502 CG MET A 33 7.594 -8.385 -6.985 1.00 0.61 C ATOM 503 SD MET A 33 8.975 -9.490 -7.388 1.00 2.29 S ATOM 504 CE MET A 33 9.338 -8.943 -9.074 1.00 1.89 C ATOM 0 H MET A 33 5.099 -8.807 -5.362 1.00 0.42 H new ATOM 0 HA MET A 33 7.472 -10.224 -5.002 1.00 0.47 H new ATOM 0 HB2 MET A 33 6.753 -7.279 -5.348 1.00 0.50 H new ATOM 0 HB3 MET A 33 8.426 -7.745 -5.111 1.00 0.50 H new ATOM 0 HG2 MET A 33 6.666 -8.831 -7.342 1.00 0.61 H new ATOM 0 HG3 MET A 33 7.723 -7.445 -7.521 1.00 0.61 H new ATOM 0 HE1 MET A 33 10.169 -9.524 -9.474 1.00 1.89 H new ATOM 0 HE2 MET A 33 8.458 -9.088 -9.701 1.00 1.89 H new ATOM 0 HE3 MET A 33 9.606 -7.886 -9.064 1.00 1.89 H new ATOM 514 N VAL A 34 6.696 -8.246 -2.459 1.00 0.46 N ATOM 515 CA VAL A 34 6.842 -8.023 -1.010 1.00 0.45 C ATOM 516 C VAL A 34 6.426 -9.257 -0.187 1.00 0.46 C ATOM 517 O VAL A 34 6.618 -9.295 1.028 1.00 0.50 O ATOM 518 CB VAL A 34 5.990 -6.817 -0.606 1.00 0.47 C ATOM 519 CG1 VAL A 34 4.525 -7.167 -0.522 1.00 0.59 C ATOM 520 CG2 VAL A 34 6.402 -6.194 0.734 1.00 0.45 C ATOM 0 H VAL A 34 5.932 -7.703 -2.862 1.00 0.46 H new ATOM 0 HA VAL A 34 7.895 -7.836 -0.799 1.00 0.45 H new ATOM 0 HB VAL A 34 6.164 -6.087 -1.397 1.00 0.47 H new ATOM 0 HG11 VAL A 34 3.956 -6.284 -0.233 1.00 0.59 H new ATOM 0 HG12 VAL A 34 4.179 -7.519 -1.494 1.00 0.59 H new ATOM 0 HG13 VAL A 34 4.380 -7.951 0.221 1.00 0.59 H new ATOM 0 HG21 VAL A 34 5.755 -5.345 0.955 1.00 0.45 H new ATOM 0 HG22 VAL A 34 6.308 -6.938 1.525 1.00 0.45 H new ATOM 0 HG23 VAL A 34 7.436 -5.856 0.675 1.00 0.45 H new ATOM 530 N GLY A 35 5.779 -10.235 -0.835 1.00 0.47 N ATOM 531 CA GLY A 35 5.251 -11.429 -0.203 1.00 0.52 C ATOM 532 C GLY A 35 4.195 -11.171 0.877 1.00 0.41 C ATOM 533 O GLY A 35 4.021 -12.011 1.749 1.00 0.46 O ATOM 0 H GLY A 35 5.609 -10.207 -1.840 1.00 0.47 H new ATOM 0 HA2 GLY A 35 4.816 -12.068 -0.972 1.00 0.52 H new ATOM 0 HA3 GLY A 35 6.077 -11.983 0.242 1.00 0.52 H new ATOM 537 N LEU A 36 3.474 -10.046 0.844 1.00 0.36 N ATOM 538 CA LEU A 36 2.477 -9.650 1.848 1.00 0.36 C ATOM 539 C LEU A 36 1.381 -10.700 1.996 1.00 0.35 C ATOM 540 O LEU A 36 1.136 -11.205 3.084 1.00 0.37 O ATOM 541 CB LEU A 36 1.839 -8.306 1.460 1.00 0.35 C ATOM 542 CG LEU A 36 2.474 -7.100 2.151 1.00 0.64 C ATOM 543 CD1 LEU A 36 2.039 -5.780 1.515 1.00 0.53 C ATOM 544 CD2 LEU A 36 2.074 -7.090 3.606 1.00 1.05 C ATOM 0 H LEU A 36 3.570 -9.362 0.093 1.00 0.36 H new ATOM 0 HA LEU A 36 2.995 -9.555 2.802 1.00 0.36 H new ATOM 0 HB2 LEU A 36 1.915 -8.176 0.380 1.00 0.35 H new ATOM 0 HB3 LEU A 36 0.777 -8.335 1.703 1.00 0.35 H new ATOM 0 HG LEU A 36 3.555 -7.191 2.044 1.00 0.64 H new ATOM 0 HD11 LEU A 36 2.514 -4.950 2.038 1.00 0.53 H new ATOM 0 HD12 LEU A 36 2.336 -5.766 0.466 1.00 0.53 H new ATOM 0 HD13 LEU A 36 0.956 -5.681 1.587 1.00 0.53 H new ATOM 0 HD21 LEU A 36 2.526 -6.231 4.102 1.00 1.05 H new ATOM 0 HD22 LEU A 36 0.989 -7.025 3.685 1.00 1.05 H new ATOM 0 HD23 LEU A 36 2.418 -8.007 4.084 1.00 1.05 H new ATOM 556 N LYS A 37 0.779 -11.068 0.865 1.00 0.34 N ATOM 557 CA LYS A 37 -0.127 -12.226 0.722 1.00 0.38 C ATOM 558 C LYS A 37 0.440 -13.560 1.272 1.00 0.37 C ATOM 559 O LYS A 37 -0.348 -14.462 1.541 1.00 0.41 O ATOM 560 CB LYS A 37 -0.520 -12.432 -0.750 1.00 0.51 C ATOM 561 CG LYS A 37 -1.618 -11.479 -1.260 1.00 0.58 C ATOM 562 CD LYS A 37 -2.508 -12.185 -2.285 1.00 0.69 C ATOM 563 CE LYS A 37 -1.729 -12.524 -3.564 1.00 0.67 C ATOM 564 NZ LYS A 37 -2.460 -13.533 -4.366 1.00 1.26 N ATOM 0 H LYS A 37 0.907 -10.558 -0.009 1.00 0.34 H new ATOM 0 HA LYS A 37 -0.996 -11.973 1.330 1.00 0.38 H new ATOM 0 HB2 LYS A 37 0.368 -12.308 -1.370 1.00 0.51 H new ATOM 0 HB3 LYS A 37 -0.859 -13.459 -0.881 1.00 0.51 H new ATOM 0 HG2 LYS A 37 -2.223 -11.131 -0.423 1.00 0.58 H new ATOM 0 HG3 LYS A 37 -1.162 -10.598 -1.711 1.00 0.58 H new ATOM 0 HD2 LYS A 37 -2.912 -13.099 -1.850 1.00 0.69 H new ATOM 0 HD3 LYS A 37 -3.357 -11.548 -2.532 1.00 0.69 H new ATOM 0 HE2 LYS A 37 -1.579 -11.621 -4.155 1.00 0.67 H new ATOM 0 HE3 LYS A 37 -0.741 -12.904 -3.305 1.00 0.67 H new ATOM 0 HZ1 LYS A 37 -1.944 -13.713 -5.251 1.00 1.26 H new ATOM 0 HZ2 LYS A 37 -2.537 -14.417 -3.824 1.00 1.26 H new ATOM 0 HZ3 LYS A 37 -3.412 -13.178 -4.586 1.00 1.26 H new ATOM 578 N LYS A 38 1.768 -13.714 1.430 1.00 0.36 N ATOM 579 CA LYS A 38 2.425 -14.878 2.068 1.00 0.39 C ATOM 580 C LYS A 38 2.381 -14.801 3.603 1.00 0.31 C ATOM 581 O LYS A 38 2.599 -15.808 4.272 1.00 0.38 O ATOM 582 CB LYS A 38 3.872 -15.051 1.515 1.00 0.55 C ATOM 583 CG LYS A 38 5.056 -14.876 2.505 1.00 1.42 C ATOM 584 CD LYS A 38 6.390 -14.592 1.785 1.00 1.53 C ATOM 585 CE LYS A 38 7.635 -14.715 2.687 1.00 2.03 C ATOM 586 NZ LYS A 38 8.416 -13.451 2.821 1.00 3.39 N ATOM 0 H LYS A 38 2.436 -13.013 1.109 1.00 0.36 H new ATOM 0 HA LYS A 38 1.862 -15.773 1.805 1.00 0.39 H new ATOM 0 HB2 LYS A 38 3.946 -16.047 1.079 1.00 0.55 H new ATOM 0 HB3 LYS A 38 4.007 -14.336 0.703 1.00 0.55 H new ATOM 0 HG2 LYS A 38 4.835 -14.057 3.190 1.00 1.42 H new ATOM 0 HG3 LYS A 38 5.157 -15.778 3.109 1.00 1.42 H new ATOM 0 HD2 LYS A 38 6.492 -15.283 0.948 1.00 1.53 H new ATOM 0 HD3 LYS A 38 6.357 -13.586 1.366 1.00 1.53 H new ATOM 0 HE2 LYS A 38 7.322 -15.043 3.678 1.00 2.03 H new ATOM 0 HE3 LYS A 38 8.286 -15.491 2.286 1.00 2.03 H new ATOM 0 HZ1 LYS A 38 9.334 -13.655 3.266 1.00 3.39 H new ATOM 0 HZ2 LYS A 38 8.572 -13.038 1.879 1.00 3.39 H new ATOM 0 HZ3 LYS A 38 7.888 -12.777 3.411 1.00 3.39 H new ATOM 600 N LYS A 39 2.136 -13.610 4.159 1.00 0.29 N ATOM 601 CA LYS A 39 2.057 -13.334 5.592 1.00 0.29 C ATOM 602 C LYS A 39 0.625 -13.562 6.092 1.00 0.29 C ATOM 603 O LYS A 39 -0.330 -13.583 5.318 1.00 0.30 O ATOM 604 CB LYS A 39 2.496 -11.882 5.878 1.00 0.39 C ATOM 605 CG LYS A 39 3.771 -11.376 5.170 1.00 1.25 C ATOM 606 CD LYS A 39 5.117 -11.575 5.882 1.00 0.98 C ATOM 607 CE LYS A 39 5.340 -12.915 6.587 1.00 1.42 C ATOM 608 NZ LYS A 39 5.321 -12.730 8.058 1.00 2.66 N ATOM 0 H LYS A 39 1.981 -12.775 3.594 1.00 0.29 H new ATOM 0 HA LYS A 39 2.727 -14.013 6.120 1.00 0.29 H new ATOM 0 HB2 LYS A 39 1.674 -11.221 5.605 1.00 0.39 H new ATOM 0 HB3 LYS A 39 2.644 -11.780 6.953 1.00 0.39 H new ATOM 0 HG2 LYS A 39 3.831 -11.867 4.199 1.00 1.25 H new ATOM 0 HG3 LYS A 39 3.647 -10.310 4.981 1.00 1.25 H new ATOM 0 HD2 LYS A 39 5.911 -11.443 5.147 1.00 0.98 H new ATOM 0 HD3 LYS A 39 5.230 -10.781 6.620 1.00 0.98 H new ATOM 0 HE2 LYS A 39 4.565 -13.623 6.292 1.00 1.42 H new ATOM 0 HE3 LYS A 39 6.295 -13.342 6.279 1.00 1.42 H new ATOM 0 HZ1 LYS A 39 5.371 -13.658 8.525 1.00 2.66 H new ATOM 0 HZ2 LYS A 39 6.137 -12.153 8.346 1.00 2.66 H new ATOM 0 HZ3 LYS A 39 4.441 -12.250 8.336 1.00 2.66 H new ATOM 622 N SER A 40 0.487 -13.723 7.406 1.00 0.37 N ATOM 623 CA SER A 40 -0.795 -13.982 8.059 1.00 0.38 C ATOM 624 C SER A 40 -1.730 -12.762 8.087 1.00 0.43 C ATOM 625 O SER A 40 -1.332 -11.624 7.837 1.00 0.40 O ATOM 626 CB SER A 40 -0.533 -14.491 9.484 1.00 0.55 C ATOM 627 OG SER A 40 0.109 -15.747 9.417 1.00 1.83 O ATOM 0 H SER A 40 1.272 -13.677 8.056 1.00 0.37 H new ATOM 0 HA SER A 40 -1.314 -14.737 7.469 1.00 0.38 H new ATOM 0 HB2 SER A 40 0.088 -13.780 10.029 1.00 0.55 H new ATOM 0 HB3 SER A 40 -1.472 -14.578 10.031 1.00 0.55 H new ATOM 0 HG SER A 40 0.280 -16.076 10.324 1.00 1.83 H new ATOM 633 N ALA A 41 -2.987 -13.003 8.472 1.00 0.60 N ATOM 634 CA ALA A 41 -4.006 -11.976 8.674 1.00 0.71 C ATOM 635 C ALA A 41 -3.579 -10.889 9.670 1.00 0.63 C ATOM 636 O ALA A 41 -3.721 -9.703 9.379 1.00 0.57 O ATOM 637 CB ALA A 41 -5.264 -12.669 9.187 1.00 0.98 C ATOM 0 H ALA A 41 -3.330 -13.946 8.656 1.00 0.60 H new ATOM 0 HA ALA A 41 -4.175 -11.471 7.723 1.00 0.71 H new ATOM 0 HB1 ALA A 41 -6.047 -11.928 9.349 1.00 0.98 H new ATOM 0 HB2 ALA A 41 -5.602 -13.400 8.452 1.00 0.98 H new ATOM 0 HB3 ALA A 41 -5.043 -13.175 10.127 1.00 0.98 H new ATOM 643 N ASP A 42 -3.047 -11.290 10.832 1.00 0.68 N ATOM 644 CA ASP A 42 -2.532 -10.367 11.844 1.00 0.71 C ATOM 645 C ASP A 42 -1.421 -9.476 11.272 1.00 0.52 C ATOM 646 O ASP A 42 -1.449 -8.255 11.428 1.00 0.66 O ATOM 647 CB ASP A 42 -2.021 -11.164 13.054 1.00 0.96 C ATOM 648 CG ASP A 42 -1.387 -10.238 14.090 1.00 2.67 C ATOM 649 OD1 ASP A 42 -2.117 -9.404 14.663 1.00 3.29 O ATOM 650 OD2 ASP A 42 -0.152 -10.320 14.272 1.00 4.15 O ATOM 0 H ASP A 42 -2.963 -12.272 11.095 1.00 0.68 H new ATOM 0 HA ASP A 42 -3.343 -9.712 12.163 1.00 0.71 H new ATOM 0 HB2 ASP A 42 -2.846 -11.712 13.508 1.00 0.96 H new ATOM 0 HB3 ASP A 42 -1.290 -11.903 12.725 1.00 0.96 H new ATOM 655 N ASP A 43 -0.491 -10.091 10.538 1.00 0.56 N ATOM 656 CA ASP A 43 0.589 -9.403 9.825 1.00 0.51 C ATOM 657 C ASP A 43 -0.005 -8.326 8.913 1.00 0.47 C ATOM 658 O ASP A 43 0.304 -7.147 9.060 1.00 0.54 O ATOM 659 CB ASP A 43 1.413 -10.417 9.012 1.00 0.47 C ATOM 660 CG ASP A 43 2.725 -10.832 9.662 1.00 1.51 C ATOM 661 OD1 ASP A 43 2.703 -11.252 10.834 1.00 2.78 O ATOM 662 OD2 ASP A 43 3.739 -10.819 8.932 1.00 2.14 O ATOM 0 H ASP A 43 -0.467 -11.104 10.420 1.00 0.56 H new ATOM 0 HA ASP A 43 1.254 -8.924 10.544 1.00 0.51 H new ATOM 0 HB2 ASP A 43 0.807 -11.308 8.846 1.00 0.47 H new ATOM 0 HB3 ASP A 43 1.627 -9.990 8.032 1.00 0.47 H new ATOM 667 N VAL A 44 -0.915 -8.729 8.020 1.00 0.47 N ATOM 668 CA VAL A 44 -1.683 -7.864 7.122 1.00 0.50 C ATOM 669 C VAL A 44 -2.439 -6.741 7.867 1.00 0.49 C ATOM 670 O VAL A 44 -2.439 -5.596 7.408 1.00 0.51 O ATOM 671 CB VAL A 44 -2.572 -8.780 6.252 1.00 0.63 C ATOM 672 CG1 VAL A 44 -3.927 -8.195 5.883 1.00 0.88 C ATOM 673 CG2 VAL A 44 -1.817 -9.168 4.972 1.00 0.84 C ATOM 0 H VAL A 44 -1.146 -9.715 7.899 1.00 0.47 H new ATOM 0 HA VAL A 44 -1.018 -7.301 6.467 1.00 0.50 H new ATOM 0 HB VAL A 44 -2.784 -9.653 6.869 1.00 0.63 H new ATOM 0 HG11 VAL A 44 -4.478 -8.910 5.272 1.00 0.88 H new ATOM 0 HG12 VAL A 44 -4.491 -7.983 6.791 1.00 0.88 H new ATOM 0 HG13 VAL A 44 -3.784 -7.272 5.321 1.00 0.88 H new ATOM 0 HG21 VAL A 44 -2.446 -9.814 4.360 1.00 0.84 H new ATOM 0 HG22 VAL A 44 -1.566 -8.268 4.410 1.00 0.84 H new ATOM 0 HG23 VAL A 44 -0.902 -9.698 5.236 1.00 0.84 H new ATOM 683 N LYS A 45 -3.024 -7.014 9.042 1.00 0.47 N ATOM 684 CA LYS A 45 -3.576 -6.007 9.958 1.00 0.48 C ATOM 685 C LYS A 45 -2.512 -4.965 10.343 1.00 0.51 C ATOM 686 O LYS A 45 -2.771 -3.768 10.193 1.00 0.63 O ATOM 687 CB LYS A 45 -4.295 -6.719 11.126 1.00 0.52 C ATOM 688 CG LYS A 45 -4.114 -6.070 12.500 1.00 1.87 C ATOM 689 CD LYS A 45 -4.873 -4.755 12.728 1.00 2.42 C ATOM 690 CE LYS A 45 -6.330 -5.008 13.132 1.00 2.73 C ATOM 691 NZ LYS A 45 -7.010 -3.740 13.486 1.00 4.06 N ATOM 0 H LYS A 45 -3.129 -7.967 9.390 1.00 0.47 H new ATOM 0 HA LYS A 45 -4.345 -5.408 9.470 1.00 0.48 H new ATOM 0 HB2 LYS A 45 -5.361 -6.764 10.901 1.00 0.52 H new ATOM 0 HB3 LYS A 45 -3.937 -7.747 11.178 1.00 0.52 H new ATOM 0 HG2 LYS A 45 -4.428 -6.784 13.261 1.00 1.87 H new ATOM 0 HG3 LYS A 45 -3.051 -5.885 12.655 1.00 1.87 H new ATOM 0 HD2 LYS A 45 -4.374 -4.176 13.506 1.00 2.42 H new ATOM 0 HD3 LYS A 45 -4.846 -4.156 11.818 1.00 2.42 H new ATOM 0 HE2 LYS A 45 -6.860 -5.492 12.312 1.00 2.73 H new ATOM 0 HE3 LYS A 45 -6.363 -5.692 13.980 1.00 2.73 H new ATOM 0 HZ1 LYS A 45 -7.995 -3.938 13.756 1.00 4.06 H new ATOM 0 HZ2 LYS A 45 -6.516 -3.292 14.284 1.00 4.06 H new ATOM 0 HZ3 LYS A 45 -6.998 -3.099 12.667 1.00 4.06 H new ATOM 705 N LYS A 46 -1.331 -5.386 10.823 1.00 0.46 N ATOM 706 CA LYS A 46 -0.247 -4.452 11.177 1.00 0.44 C ATOM 707 C LYS A 46 0.277 -3.701 9.950 1.00 0.41 C ATOM 708 O LYS A 46 0.580 -2.517 10.070 1.00 0.54 O ATOM 709 CB LYS A 46 0.923 -5.151 11.894 1.00 0.44 C ATOM 710 CG LYS A 46 0.700 -5.439 13.389 1.00 0.83 C ATOM 711 CD LYS A 46 -0.093 -6.725 13.649 1.00 1.26 C ATOM 712 CE LYS A 46 -0.050 -7.149 15.121 1.00 1.62 C ATOM 713 NZ LYS A 46 0.987 -8.183 15.352 1.00 2.47 N ATOM 0 H LYS A 46 -1.101 -6.368 10.975 1.00 0.46 H new ATOM 0 HA LYS A 46 -0.688 -3.734 11.869 1.00 0.44 H new ATOM 0 HB2 LYS A 46 1.128 -6.093 11.386 1.00 0.44 H new ATOM 0 HB3 LYS A 46 1.814 -4.532 11.789 1.00 0.44 H new ATOM 0 HG2 LYS A 46 1.667 -5.511 13.886 1.00 0.83 H new ATOM 0 HG3 LYS A 46 0.172 -4.598 13.839 1.00 0.83 H new ATOM 0 HD2 LYS A 46 -1.130 -6.577 13.346 1.00 1.26 H new ATOM 0 HD3 LYS A 46 0.308 -7.528 13.030 1.00 1.26 H new ATOM 0 HE2 LYS A 46 0.154 -6.280 15.746 1.00 1.62 H new ATOM 0 HE3 LYS A 46 -1.025 -7.535 15.419 1.00 1.62 H new ATOM 0 HZ1 LYS A 46 0.947 -8.499 16.342 1.00 2.47 H new ATOM 0 HZ2 LYS A 46 0.816 -8.993 14.723 1.00 2.47 H new ATOM 0 HZ3 LYS A 46 1.926 -7.783 15.154 1.00 2.47 H new ATOM 727 N VAL A 47 0.340 -4.363 8.787 1.00 0.40 N ATOM 728 CA VAL A 47 0.701 -3.771 7.490 1.00 0.37 C ATOM 729 C VAL A 47 -0.135 -2.531 7.234 1.00 0.39 C ATOM 730 O VAL A 47 0.426 -1.441 7.185 1.00 0.38 O ATOM 731 CB VAL A 47 0.610 -4.794 6.343 1.00 0.40 C ATOM 732 CG1 VAL A 47 0.713 -4.170 4.943 1.00 0.45 C ATOM 733 CG2 VAL A 47 1.702 -5.853 6.512 1.00 0.46 C ATOM 0 H VAL A 47 0.134 -5.360 8.720 1.00 0.40 H new ATOM 0 HA VAL A 47 1.747 -3.466 7.529 1.00 0.37 H new ATOM 0 HB VAL A 47 -0.382 -5.241 6.409 1.00 0.40 H new ATOM 0 HG11 VAL A 47 0.640 -4.954 4.189 1.00 0.45 H new ATOM 0 HG12 VAL A 47 -0.098 -3.455 4.803 1.00 0.45 H new ATOM 0 HG13 VAL A 47 1.670 -3.657 4.843 1.00 0.45 H new ATOM 0 HG21 VAL A 47 1.636 -6.576 5.699 1.00 0.46 H new ATOM 0 HG22 VAL A 47 2.680 -5.373 6.492 1.00 0.46 H new ATOM 0 HG23 VAL A 47 1.568 -6.365 7.465 1.00 0.46 H new ATOM 743 N PHE A 48 -1.463 -2.663 7.142 1.00 0.45 N ATOM 744 CA PHE A 48 -2.363 -1.539 6.931 1.00 0.45 C ATOM 745 C PHE A 48 -2.140 -0.372 7.909 1.00 0.38 C ATOM 746 O PHE A 48 -2.105 0.790 7.500 1.00 0.37 O ATOM 747 CB PHE A 48 -3.764 -2.113 7.050 1.00 0.56 C ATOM 748 CG PHE A 48 -4.836 -1.064 7.004 1.00 0.55 C ATOM 749 CD1 PHE A 48 -4.989 -0.307 5.834 1.00 1.56 C ATOM 750 CD2 PHE A 48 -5.678 -0.857 8.113 1.00 1.87 C ATOM 751 CE1 PHE A 48 -5.992 0.660 5.775 1.00 1.64 C ATOM 752 CE2 PHE A 48 -6.711 0.085 8.031 1.00 1.88 C ATOM 753 CZ PHE A 48 -6.867 0.837 6.855 1.00 0.81 C ATOM 0 H PHE A 48 -1.940 -3.562 7.213 1.00 0.45 H new ATOM 0 HA PHE A 48 -2.182 -1.093 5.953 1.00 0.45 H new ATOM 0 HB2 PHE A 48 -3.928 -2.827 6.243 1.00 0.56 H new ATOM 0 HB3 PHE A 48 -3.845 -2.666 7.986 1.00 0.56 H new ATOM 0 HD1 PHE A 48 -4.338 -0.471 4.988 1.00 1.56 H new ATOM 0 HD2 PHE A 48 -5.528 -1.421 9.022 1.00 1.87 H new ATOM 0 HE1 PHE A 48 -6.095 1.275 4.893 1.00 1.64 H new ATOM 0 HE2 PHE A 48 -7.382 0.232 8.865 1.00 1.88 H new ATOM 0 HZ PHE A 48 -7.668 1.558 6.783 1.00 0.81 H new ATOM 763 N HIS A 49 -1.914 -0.696 9.186 1.00 0.37 N ATOM 764 CA HIS A 49 -1.615 0.258 10.255 1.00 0.39 C ATOM 765 C HIS A 49 -0.322 1.074 10.037 1.00 0.42 C ATOM 766 O HIS A 49 -0.131 2.095 10.695 1.00 0.67 O ATOM 767 CB HIS A 49 -1.555 -0.521 11.582 1.00 0.47 C ATOM 768 CG HIS A 49 -2.335 0.111 12.705 1.00 1.04 C ATOM 769 ND1 HIS A 49 -1.855 0.394 13.962 1.00 1.93 N ATOM 770 CD2 HIS A 49 -3.672 0.401 12.693 1.00 2.24 C ATOM 771 CE1 HIS A 49 -2.888 0.843 14.696 1.00 2.40 C ATOM 772 NE2 HIS A 49 -4.014 0.863 13.966 1.00 2.69 N ATOM 0 H HIS A 49 -1.935 -1.662 9.513 1.00 0.37 H new ATOM 0 HA HIS A 49 -2.410 1.003 10.267 1.00 0.39 H new ATOM 0 HB2 HIS A 49 -1.932 -1.530 11.415 1.00 0.47 H new ATOM 0 HB3 HIS A 49 -0.513 -0.617 11.887 1.00 0.47 H new ATOM 0 HD2 HIS A 49 -4.341 0.292 11.852 1.00 2.24 H new ATOM 0 HE1 HIS A 49 -2.821 1.146 15.730 1.00 2.40 H new ATOM 0 HE2 HIS A 49 -4.939 1.158 14.280 1.00 2.69 H new ATOM 780 N MET A 50 0.562 0.644 9.126 1.00 0.31 N ATOM 781 CA MET A 50 1.784 1.355 8.741 1.00 0.41 C ATOM 782 C MET A 50 1.519 2.449 7.685 1.00 0.39 C ATOM 783 O MET A 50 2.147 3.508 7.736 1.00 0.46 O ATOM 784 CB MET A 50 2.791 0.317 8.215 1.00 0.54 C ATOM 785 CG MET A 50 4.246 0.754 8.381 1.00 0.75 C ATOM 786 SD MET A 50 4.940 0.531 10.043 1.00 1.42 S ATOM 787 CE MET A 50 6.632 1.087 9.708 1.00 2.26 C ATOM 0 H MET A 50 0.441 -0.235 8.623 1.00 0.31 H new ATOM 0 HA MET A 50 2.186 1.870 9.613 1.00 0.41 H new ATOM 0 HB2 MET A 50 2.639 -0.626 8.740 1.00 0.54 H new ATOM 0 HB3 MET A 50 2.593 0.130 7.160 1.00 0.54 H new ATOM 0 HG2 MET A 50 4.858 0.197 7.672 1.00 0.75 H new ATOM 0 HG3 MET A 50 4.325 1.807 8.111 1.00 0.75 H new ATOM 0 HE1 MET A 50 7.224 1.023 10.621 1.00 2.26 H new ATOM 0 HE2 MET A 50 7.078 0.453 8.942 1.00 2.26 H new ATOM 0 HE3 MET A 50 6.613 2.120 9.359 1.00 2.26 H new ATOM 797 N LEU A 51 0.597 2.180 6.744 1.00 0.40 N ATOM 798 CA LEU A 51 0.166 3.056 5.643 1.00 0.43 C ATOM 799 C LEU A 51 -0.721 4.209 6.140 1.00 0.42 C ATOM 800 O LEU A 51 -0.584 5.332 5.658 1.00 0.50 O ATOM 801 CB LEU A 51 -0.675 2.248 4.634 1.00 0.51 C ATOM 802 CG LEU A 51 0.030 1.200 3.756 1.00 0.65 C ATOM 803 CD1 LEU A 51 0.495 -0.026 4.529 1.00 1.83 C ATOM 804 CD2 LEU A 51 -0.967 0.670 2.728 1.00 2.06 C ATOM 0 H LEU A 51 0.102 1.288 6.732 1.00 0.40 H new ATOM 0 HA LEU A 51 1.071 3.459 5.188 1.00 0.43 H new ATOM 0 HB2 LEU A 51 -1.460 1.737 5.192 1.00 0.51 H new ATOM 0 HB3 LEU A 51 -1.167 2.959 3.970 1.00 0.51 H new ATOM 0 HG LEU A 51 0.893 1.705 3.322 1.00 0.65 H new ATOM 0 HD11 LEU A 51 0.983 -0.722 3.847 1.00 1.83 H new ATOM 0 HD12 LEU A 51 1.199 0.278 5.303 1.00 1.83 H new ATOM 0 HD13 LEU A 51 -0.364 -0.512 4.991 1.00 1.83 H new ATOM 0 HD21 LEU A 51 -0.479 -0.074 2.099 1.00 2.06 H new ATOM 0 HD22 LEU A 51 -1.812 0.213 3.243 1.00 2.06 H new ATOM 0 HD23 LEU A 51 -1.322 1.493 2.108 1.00 2.06 H new ATOM 816 N ASP A 52 -1.646 3.926 7.067 1.00 0.40 N ATOM 817 CA ASP A 52 -2.511 4.916 7.719 1.00 0.43 C ATOM 818 C ASP A 52 -1.670 5.922 8.522 1.00 0.55 C ATOM 819 O ASP A 52 -1.314 5.677 9.676 1.00 0.83 O ATOM 820 CB ASP A 52 -3.551 4.197 8.596 1.00 0.51 C ATOM 821 CG ASP A 52 -4.400 5.152 9.447 1.00 1.01 C ATOM 822 OD1 ASP A 52 -4.623 6.319 9.056 1.00 1.61 O ATOM 823 OD2 ASP A 52 -4.891 4.718 10.510 1.00 2.08 O ATOM 0 H ASP A 52 -1.817 2.975 7.393 1.00 0.40 H new ATOM 0 HA ASP A 52 -3.049 5.486 6.962 1.00 0.43 H new ATOM 0 HB2 ASP A 52 -4.210 3.610 7.957 1.00 0.51 H new ATOM 0 HB3 ASP A 52 -3.037 3.496 9.254 1.00 0.51 H new ATOM 828 N LYS A 53 -1.317 7.048 7.889 1.00 0.68 N ATOM 829 CA LYS A 53 -0.389 8.030 8.450 1.00 0.86 C ATOM 830 C LYS A 53 -1.084 9.183 9.172 1.00 1.22 C ATOM 831 O LYS A 53 -0.478 9.724 10.094 1.00 1.40 O ATOM 832 CB LYS A 53 0.597 8.509 7.367 1.00 0.97 C ATOM 833 CG LYS A 53 1.983 8.931 7.891 1.00 1.39 C ATOM 834 CD LYS A 53 2.926 7.762 8.234 1.00 1.77 C ATOM 835 CE LYS A 53 2.777 7.249 9.672 1.00 3.31 C ATOM 836 NZ LYS A 53 3.735 6.155 9.950 1.00 4.77 N ATOM 0 H LYS A 53 -1.671 7.302 6.967 1.00 0.68 H new ATOM 0 HA LYS A 53 0.183 7.528 9.231 1.00 0.86 H new ATOM 0 HB2 LYS A 53 0.729 7.710 6.637 1.00 0.97 H new ATOM 0 HB3 LYS A 53 0.152 9.353 6.839 1.00 0.97 H new ATOM 0 HG2 LYS A 53 2.464 9.559 7.141 1.00 1.39 H new ATOM 0 HG3 LYS A 53 1.848 9.544 8.782 1.00 1.39 H new ATOM 0 HD2 LYS A 53 2.737 6.940 7.543 1.00 1.77 H new ATOM 0 HD3 LYS A 53 3.957 8.080 8.076 1.00 1.77 H new ATOM 0 HE2 LYS A 53 2.942 8.068 10.372 1.00 3.31 H new ATOM 0 HE3 LYS A 53 1.759 6.894 9.831 1.00 3.31 H new ATOM 0 HZ1 LYS A 53 3.613 5.827 10.929 1.00 4.77 H new ATOM 0 HZ2 LYS A 53 3.560 5.366 9.296 1.00 4.77 H new ATOM 0 HZ3 LYS A 53 4.706 6.503 9.820 1.00 4.77 H new ATOM 850 N ASP A 54 -2.341 9.515 8.836 1.00 1.65 N ATOM 851 CA ASP A 54 -3.111 10.477 9.648 1.00 1.89 C ATOM 852 C ASP A 54 -3.675 9.858 10.945 1.00 1.92 C ATOM 853 O ASP A 54 -4.002 10.606 11.863 1.00 2.26 O ATOM 854 CB ASP A 54 -4.193 11.203 8.825 1.00 1.95 C ATOM 855 CG ASP A 54 -5.373 10.323 8.419 1.00 1.77 C ATOM 856 OD1 ASP A 54 -5.847 9.465 9.188 1.00 1.59 O ATOM 857 OD2 ASP A 54 -5.773 10.273 7.237 1.00 2.93 O ATOM 0 H ASP A 54 -2.839 9.143 8.027 1.00 1.65 H new ATOM 0 HA ASP A 54 -2.398 11.237 9.967 1.00 1.89 H new ATOM 0 HB2 ASP A 54 -4.567 12.047 9.404 1.00 1.95 H new ATOM 0 HB3 ASP A 54 -3.734 11.612 7.925 1.00 1.95 H new ATOM 862 N LYS A 55 -3.721 8.513 11.030 1.00 1.68 N ATOM 863 CA LYS A 55 -4.149 7.689 12.172 1.00 1.82 C ATOM 864 C LYS A 55 -5.677 7.682 12.328 1.00 1.78 C ATOM 865 O LYS A 55 -6.215 8.265 13.270 1.00 2.87 O ATOM 866 CB LYS A 55 -3.415 8.084 13.476 1.00 2.36 C ATOM 867 CG LYS A 55 -1.879 8.155 13.367 1.00 3.05 C ATOM 868 CD LYS A 55 -1.209 6.810 13.042 1.00 2.93 C ATOM 869 CE LYS A 55 -1.459 5.733 14.106 1.00 2.42 C ATOM 870 NZ LYS A 55 -0.931 6.136 15.432 1.00 3.55 N ATOM 0 H LYS A 55 -3.438 7.933 10.240 1.00 1.68 H new ATOM 0 HA LYS A 55 -3.857 6.661 11.959 1.00 1.82 H new ATOM 0 HB2 LYS A 55 -3.786 9.055 13.803 1.00 2.36 H new ATOM 0 HB3 LYS A 55 -3.676 7.365 14.253 1.00 2.36 H new ATOM 0 HG2 LYS A 55 -1.613 8.877 12.595 1.00 3.05 H new ATOM 0 HG3 LYS A 55 -1.476 8.531 14.307 1.00 3.05 H new ATOM 0 HD2 LYS A 55 -1.576 6.452 12.080 1.00 2.93 H new ATOM 0 HD3 LYS A 55 -0.135 6.963 12.936 1.00 2.93 H new ATOM 0 HE2 LYS A 55 -2.529 5.541 14.184 1.00 2.42 H new ATOM 0 HE3 LYS A 55 -0.989 4.800 13.796 1.00 2.42 H new ATOM 0 HZ1 LYS A 55 -1.012 5.339 16.095 1.00 3.55 H new ATOM 0 HZ2 LYS A 55 0.068 6.410 15.339 1.00 3.55 H new ATOM 0 HZ3 LYS A 55 -1.479 6.943 15.793 1.00 3.55 H new ATOM 884 N SER A 56 -6.377 6.968 11.438 1.00 0.66 N ATOM 885 CA SER A 56 -7.841 6.815 11.496 1.00 0.53 C ATOM 886 C SER A 56 -8.404 5.420 11.189 1.00 0.49 C ATOM 887 O SER A 56 -9.604 5.224 11.366 1.00 0.58 O ATOM 888 CB SER A 56 -8.526 7.867 10.612 1.00 0.60 C ATOM 889 OG SER A 56 -8.444 7.568 9.227 1.00 0.71 O ATOM 0 H SER A 56 -5.946 6.478 10.654 1.00 0.66 H new ATOM 0 HA SER A 56 -8.075 6.970 12.549 1.00 0.53 H new ATOM 0 HB2 SER A 56 -9.574 7.947 10.899 1.00 0.60 H new ATOM 0 HB3 SER A 56 -8.070 8.840 10.795 1.00 0.60 H new ATOM 0 HG SER A 56 -7.684 8.046 8.834 1.00 0.71 H new ATOM 895 N GLY A 57 -7.592 4.444 10.763 1.00 0.51 N ATOM 896 CA GLY A 57 -8.055 3.106 10.369 1.00 0.60 C ATOM 897 C GLY A 57 -8.552 3.010 8.920 1.00 0.52 C ATOM 898 O GLY A 57 -9.237 2.048 8.578 1.00 0.58 O ATOM 0 H GLY A 57 -6.582 4.562 10.681 1.00 0.51 H new ATOM 0 HA2 GLY A 57 -7.239 2.397 10.509 1.00 0.60 H new ATOM 0 HA3 GLY A 57 -8.860 2.802 11.038 1.00 0.60 H new ATOM 902 N PHE A 58 -8.209 3.993 8.079 1.00 0.48 N ATOM 903 CA PHE A 58 -8.580 4.169 6.666 1.00 0.51 C ATOM 904 C PHE A 58 -7.428 4.902 5.961 1.00 0.60 C ATOM 905 O PHE A 58 -6.845 5.796 6.581 1.00 0.95 O ATOM 906 CB PHE A 58 -9.861 5.022 6.611 1.00 0.51 C ATOM 907 CG PHE A 58 -10.986 4.600 7.545 1.00 0.56 C ATOM 908 CD1 PHE A 58 -11.733 3.432 7.296 1.00 1.55 C ATOM 909 CD2 PHE A 58 -11.252 5.355 8.702 1.00 2.08 C ATOM 910 CE1 PHE A 58 -12.717 3.014 8.212 1.00 1.53 C ATOM 911 CE2 PHE A 58 -12.231 4.937 9.619 1.00 2.31 C ATOM 912 CZ PHE A 58 -12.961 3.761 9.377 1.00 1.10 C ATOM 0 H PHE A 58 -7.611 4.755 8.397 1.00 0.48 H new ATOM 0 HA PHE A 58 -8.759 3.212 6.177 1.00 0.51 H new ATOM 0 HB2 PHE A 58 -9.596 6.055 6.838 1.00 0.51 H new ATOM 0 HB3 PHE A 58 -10.240 5.007 5.589 1.00 0.51 H new ATOM 0 HD1 PHE A 58 -11.551 2.856 6.401 1.00 1.55 H new ATOM 0 HD2 PHE A 58 -10.699 6.264 8.887 1.00 2.08 H new ATOM 0 HE1 PHE A 58 -13.286 2.117 8.019 1.00 1.53 H new ATOM 0 HE2 PHE A 58 -12.422 5.519 10.509 1.00 2.31 H new ATOM 0 HZ PHE A 58 -13.708 3.432 10.085 1.00 1.10 H new ATOM 922 N ILE A 59 -7.095 4.579 4.700 1.00 0.37 N ATOM 923 CA ILE A 59 -6.157 5.408 3.914 1.00 0.37 C ATOM 924 C ILE A 59 -6.927 6.181 2.833 1.00 0.40 C ATOM 925 O ILE A 59 -7.776 5.606 2.147 1.00 0.43 O ATOM 926 CB ILE A 59 -5.040 4.555 3.285 1.00 0.44 C ATOM 927 CG1 ILE A 59 -4.336 3.602 4.280 1.00 0.73 C ATOM 928 CG2 ILE A 59 -3.948 5.421 2.638 1.00 0.81 C ATOM 929 CD1 ILE A 59 -3.909 2.330 3.551 1.00 0.96 C ATOM 0 H ILE A 59 -7.454 3.762 4.206 1.00 0.37 H new ATOM 0 HA ILE A 59 -5.680 6.119 4.589 1.00 0.37 H new ATOM 0 HB ILE A 59 -5.563 3.959 2.536 1.00 0.44 H new ATOM 0 HG12 ILE A 59 -3.466 4.093 4.717 1.00 0.73 H new ATOM 0 HG13 ILE A 59 -5.009 3.355 5.101 1.00 0.73 H new ATOM 0 HG21 ILE A 59 -3.181 4.777 2.207 1.00 0.81 H new ATOM 0 HG22 ILE A 59 -4.389 6.036 1.853 1.00 0.81 H new ATOM 0 HG23 ILE A 59 -3.499 6.065 3.394 1.00 0.81 H new ATOM 0 HD11 ILE A 59 -3.413 1.658 4.252 1.00 0.96 H new ATOM 0 HD12 ILE A 59 -4.788 1.837 3.135 1.00 0.96 H new ATOM 0 HD13 ILE A 59 -3.221 2.586 2.745 1.00 0.96 H new ATOM 941 N GLU A 60 -6.583 7.460 2.665 1.00 0.48 N ATOM 942 CA GLU A 60 -7.160 8.448 1.747 1.00 0.53 C ATOM 943 C GLU A 60 -6.072 9.143 0.909 1.00 0.55 C ATOM 944 O GLU A 60 -4.885 9.030 1.222 1.00 0.50 O ATOM 945 CB GLU A 60 -7.959 9.496 2.556 1.00 0.63 C ATOM 946 CG GLU A 60 -9.290 8.943 3.094 1.00 1.81 C ATOM 947 CD GLU A 60 -9.367 8.713 4.617 1.00 1.62 C ATOM 948 OE1 GLU A 60 -8.396 8.187 5.207 1.00 1.75 O ATOM 949 OE2 GLU A 60 -10.443 8.993 5.192 1.00 2.13 O ATOM 0 H GLU A 60 -5.827 7.868 3.216 1.00 0.48 H new ATOM 0 HA GLU A 60 -7.825 7.928 1.058 1.00 0.53 H new ATOM 0 HB2 GLU A 60 -7.351 9.845 3.391 1.00 0.63 H new ATOM 0 HB3 GLU A 60 -8.159 10.361 1.924 1.00 0.63 H new ATOM 0 HG2 GLU A 60 -10.086 9.632 2.811 1.00 1.81 H new ATOM 0 HG3 GLU A 60 -9.495 7.996 2.594 1.00 1.81 H new ATOM 956 N GLU A 61 -6.473 9.877 -0.149 1.00 0.67 N ATOM 957 CA GLU A 61 -5.579 10.500 -1.151 1.00 0.72 C ATOM 958 C GLU A 61 -4.401 11.295 -0.560 1.00 0.66 C ATOM 959 O GLU A 61 -3.308 11.278 -1.126 1.00 0.64 O ATOM 960 CB GLU A 61 -6.369 11.327 -2.179 1.00 0.85 C ATOM 961 CG GLU A 61 -7.089 12.561 -1.618 1.00 1.21 C ATOM 962 CD GLU A 61 -7.772 13.354 -2.741 1.00 1.69 C ATOM 963 OE1 GLU A 61 -7.041 13.843 -3.632 1.00 2.50 O ATOM 964 OE2 GLU A 61 -9.018 13.462 -2.698 1.00 2.47 O ATOM 0 H GLU A 61 -7.459 10.059 -0.337 1.00 0.67 H new ATOM 0 HA GLU A 61 -5.113 9.662 -1.670 1.00 0.72 H new ATOM 0 HB2 GLU A 61 -5.684 11.652 -2.962 1.00 0.85 H new ATOM 0 HB3 GLU A 61 -7.108 10.679 -2.650 1.00 0.85 H new ATOM 0 HG2 GLU A 61 -7.832 12.251 -0.883 1.00 1.21 H new ATOM 0 HG3 GLU A 61 -6.374 13.200 -1.099 1.00 1.21 H new ATOM 971 N ASP A 62 -4.622 11.905 0.612 1.00 0.65 N ATOM 972 CA ASP A 62 -3.643 12.568 1.471 1.00 0.64 C ATOM 973 C ASP A 62 -2.404 11.693 1.719 1.00 0.60 C ATOM 974 O ASP A 62 -1.301 12.055 1.311 1.00 0.76 O ATOM 975 CB ASP A 62 -4.347 12.948 2.785 1.00 0.74 C ATOM 976 CG ASP A 62 -3.419 13.716 3.730 1.00 1.65 C ATOM 977 OD1 ASP A 62 -3.362 14.956 3.587 1.00 2.19 O ATOM 978 OD2 ASP A 62 -2.777 13.052 4.573 1.00 3.06 O ATOM 0 H ASP A 62 -5.560 11.949 1.010 1.00 0.65 H new ATOM 0 HA ASP A 62 -3.271 13.465 0.976 1.00 0.64 H new ATOM 0 HB2 ASP A 62 -5.224 13.556 2.564 1.00 0.74 H new ATOM 0 HB3 ASP A 62 -4.703 12.045 3.281 1.00 0.74 H new ATOM 983 N GLU A 63 -2.582 10.522 2.344 1.00 0.51 N ATOM 984 CA GLU A 63 -1.486 9.579 2.568 1.00 0.52 C ATOM 985 C GLU A 63 -1.118 8.870 1.275 1.00 0.49 C ATOM 986 O GLU A 63 0.045 8.555 1.068 1.00 0.51 O ATOM 987 CB GLU A 63 -1.897 8.481 3.545 1.00 0.67 C ATOM 988 CG GLU A 63 -2.334 8.988 4.922 1.00 0.67 C ATOM 989 CD GLU A 63 -3.701 8.440 5.325 1.00 1.01 C ATOM 990 OE1 GLU A 63 -4.602 8.337 4.456 1.00 2.65 O ATOM 991 OE2 GLU A 63 -3.861 8.100 6.524 1.00 1.14 O ATOM 0 H GLU A 63 -3.482 10.206 2.705 1.00 0.51 H new ATOM 0 HA GLU A 63 -0.651 10.161 2.959 1.00 0.52 H new ATOM 0 HB2 GLU A 63 -2.714 7.909 3.106 1.00 0.67 H new ATOM 0 HB3 GLU A 63 -1.060 7.794 3.673 1.00 0.67 H new ATOM 0 HG2 GLU A 63 -1.593 8.698 5.667 1.00 0.67 H new ATOM 0 HG3 GLU A 63 -2.368 10.077 4.913 1.00 0.67 H new ATOM 998 N LEU A 64 -2.107 8.603 0.417 1.00 0.50 N ATOM 999 CA LEU A 64 -1.978 7.844 -0.819 1.00 0.55 C ATOM 1000 C LEU A 64 -0.926 8.416 -1.773 1.00 0.55 C ATOM 1001 O LEU A 64 -0.264 7.655 -2.470 1.00 0.66 O ATOM 1002 CB LEU A 64 -3.341 7.836 -1.504 1.00 0.64 C ATOM 1003 CG LEU A 64 -3.749 6.472 -2.033 1.00 0.64 C ATOM 1004 CD1 LEU A 64 -4.455 5.627 -0.974 1.00 1.16 C ATOM 1005 CD2 LEU A 64 -4.705 6.704 -3.193 1.00 1.06 C ATOM 0 H LEU A 64 -3.061 8.927 0.577 1.00 0.50 H new ATOM 0 HA LEU A 64 -1.644 6.838 -0.566 1.00 0.55 H new ATOM 0 HB2 LEU A 64 -4.095 8.183 -0.797 1.00 0.64 H new ATOM 0 HB3 LEU A 64 -3.327 8.547 -2.330 1.00 0.64 H new ATOM 0 HG LEU A 64 -2.853 5.930 -2.337 1.00 0.64 H new ATOM 0 HD11 LEU A 64 -4.727 4.662 -1.401 1.00 1.16 H new ATOM 0 HD12 LEU A 64 -3.787 5.474 -0.126 1.00 1.16 H new ATOM 0 HD13 LEU A 64 -5.355 6.142 -0.639 1.00 1.16 H new ATOM 0 HD21 LEU A 64 -5.022 5.744 -3.601 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -5.578 7.254 -2.841 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -4.202 7.280 -3.969 1.00 1.06 H new ATOM 1017 N GLY A 65 -0.731 9.739 -1.761 1.00 0.48 N ATOM 1018 CA GLY A 65 0.415 10.387 -2.401 1.00 0.48 C ATOM 1019 C GLY A 65 1.776 9.782 -2.015 1.00 0.43 C ATOM 1020 O GLY A 65 2.677 9.768 -2.845 1.00 0.51 O ATOM 0 H GLY A 65 -1.368 10.392 -1.304 1.00 0.48 H new ATOM 0 HA2 GLY A 65 0.296 10.325 -3.483 1.00 0.48 H new ATOM 0 HA3 GLY A 65 0.413 11.445 -2.140 1.00 0.48 H new ATOM 1024 N PHE A 66 1.932 9.273 -0.785 1.00 0.37 N ATOM 1025 CA PHE A 66 3.190 8.797 -0.198 1.00 0.36 C ATOM 1026 C PHE A 66 3.020 7.547 0.702 1.00 0.36 C ATOM 1027 O PHE A 66 3.792 7.328 1.631 1.00 0.45 O ATOM 1028 CB PHE A 66 3.887 9.978 0.510 1.00 0.45 C ATOM 1029 CG PHE A 66 3.231 10.515 1.778 1.00 0.62 C ATOM 1030 CD1 PHE A 66 2.067 11.309 1.719 1.00 1.66 C ATOM 1031 CD2 PHE A 66 3.830 10.274 3.029 1.00 1.57 C ATOM 1032 CE1 PHE A 66 1.508 11.834 2.899 1.00 1.80 C ATOM 1033 CE2 PHE A 66 3.268 10.790 4.210 1.00 1.74 C ATOM 1034 CZ PHE A 66 2.101 11.569 4.145 1.00 1.20 C ATOM 0 H PHE A 66 1.146 9.178 -0.142 1.00 0.37 H new ATOM 0 HA PHE A 66 3.837 8.442 -1.000 1.00 0.36 H new ATOM 0 HB2 PHE A 66 4.903 9.671 0.759 1.00 0.45 H new ATOM 0 HB3 PHE A 66 3.968 10.799 -0.202 1.00 0.45 H new ATOM 0 HD1 PHE A 66 1.603 11.515 0.766 1.00 1.66 H new ATOM 0 HD2 PHE A 66 4.734 9.685 3.082 1.00 1.57 H new ATOM 0 HE1 PHE A 66 0.618 12.444 2.847 1.00 1.80 H new ATOM 0 HE2 PHE A 66 3.732 10.588 5.164 1.00 1.74 H new ATOM 0 HZ PHE A 66 1.661 11.963 5.049 1.00 1.20 H new ATOM 1044 N ILE A 67 2.037 6.682 0.412 1.00 0.39 N ATOM 1045 CA ILE A 67 1.637 5.462 1.137 1.00 0.36 C ATOM 1046 C ILE A 67 2.831 4.588 1.520 1.00 0.35 C ATOM 1047 O ILE A 67 2.936 4.110 2.654 1.00 0.39 O ATOM 1048 CB ILE A 67 0.538 4.762 0.294 1.00 0.51 C ATOM 1049 CG1 ILE A 67 0.127 3.363 0.768 1.00 0.96 C ATOM 1050 CG2 ILE A 67 0.808 4.692 -1.218 1.00 1.30 C ATOM 1051 CD1 ILE A 67 1.107 2.223 0.455 1.00 0.60 C ATOM 0 H ILE A 67 1.448 6.829 -0.408 1.00 0.39 H new ATOM 0 HA ILE A 67 1.210 5.704 2.110 1.00 0.36 H new ATOM 0 HB ILE A 67 -0.292 5.446 0.471 1.00 0.51 H new ATOM 0 HG12 ILE A 67 -0.024 3.398 1.847 1.00 0.96 H new ATOM 0 HG13 ILE A 67 -0.836 3.119 0.319 1.00 0.96 H new ATOM 0 HG21 ILE A 67 -0.020 4.184 -1.712 1.00 1.30 H new ATOM 0 HG22 ILE A 67 0.905 5.702 -1.617 1.00 1.30 H new ATOM 0 HG23 ILE A 67 1.731 4.140 -1.398 1.00 1.30 H new ATOM 0 HD11 ILE A 67 0.708 1.284 0.839 1.00 0.60 H new ATOM 0 HD12 ILE A 67 1.243 2.146 -0.624 1.00 0.60 H new ATOM 0 HD13 ILE A 67 2.067 2.429 0.928 1.00 0.60 H new ATOM 1063 N LEU A 68 3.774 4.433 0.592 1.00 0.44 N ATOM 1064 CA LEU A 68 5.007 3.674 0.761 1.00 0.55 C ATOM 1065 C LEU A 68 5.869 4.142 1.942 1.00 0.51 C ATOM 1066 O LEU A 68 6.628 3.338 2.473 1.00 0.57 O ATOM 1067 CB LEU A 68 5.799 3.777 -0.544 1.00 0.69 C ATOM 1068 CG LEU A 68 5.148 3.015 -1.706 1.00 1.02 C ATOM 1069 CD1 LEU A 68 5.017 3.947 -2.912 1.00 1.09 C ATOM 1070 CD2 LEU A 68 6.025 1.808 -2.037 1.00 1.86 C ATOM 0 H LEU A 68 3.694 4.851 -0.335 1.00 0.44 H new ATOM 0 HA LEU A 68 4.738 2.643 0.991 1.00 0.55 H new ATOM 0 HB2 LEU A 68 5.901 4.827 -0.818 1.00 0.69 H new ATOM 0 HB3 LEU A 68 6.805 3.391 -0.383 1.00 0.69 H new ATOM 0 HG LEU A 68 4.150 2.669 -1.435 1.00 1.02 H new ATOM 0 HD11 LEU A 68 4.555 3.409 -3.739 1.00 1.09 H new ATOM 0 HD12 LEU A 68 4.397 4.803 -2.645 1.00 1.09 H new ATOM 0 HD13 LEU A 68 6.006 4.294 -3.212 1.00 1.09 H new ATOM 0 HD21 LEU A 68 5.581 1.251 -2.862 1.00 1.86 H new ATOM 0 HD22 LEU A 68 7.020 2.149 -2.324 1.00 1.86 H new ATOM 0 HD23 LEU A 68 6.101 1.162 -1.162 1.00 1.86 H new ATOM 1082 N LYS A 69 5.744 5.403 2.387 1.00 0.47 N ATOM 1083 CA LYS A 69 6.534 5.994 3.475 1.00 0.49 C ATOM 1084 C LYS A 69 6.136 5.412 4.837 1.00 0.57 C ATOM 1085 O LYS A 69 6.849 5.617 5.817 1.00 0.74 O ATOM 1086 CB LYS A 69 6.385 7.527 3.401 1.00 0.60 C ATOM 1087 CG LYS A 69 7.669 8.354 3.526 1.00 0.60 C ATOM 1088 CD LYS A 69 8.195 8.516 4.949 1.00 1.44 C ATOM 1089 CE LYS A 69 9.376 9.491 4.883 1.00 1.40 C ATOM 1090 NZ LYS A 69 9.879 9.849 6.228 1.00 2.31 N ATOM 0 H LYS A 69 5.071 6.057 1.987 1.00 0.47 H new ATOM 0 HA LYS A 69 7.588 5.744 3.358 1.00 0.49 H new ATOM 0 HB2 LYS A 69 5.912 7.777 2.451 1.00 0.60 H new ATOM 0 HB3 LYS A 69 5.701 7.840 4.190 1.00 0.60 H new ATOM 0 HG2 LYS A 69 8.445 7.887 2.919 1.00 0.60 H new ATOM 0 HG3 LYS A 69 7.488 9.344 3.107 1.00 0.60 H new ATOM 0 HD2 LYS A 69 7.415 8.899 5.607 1.00 1.44 H new ATOM 0 HD3 LYS A 69 8.511 7.555 5.355 1.00 1.44 H new ATOM 0 HE2 LYS A 69 10.183 9.044 4.302 1.00 1.40 H new ATOM 0 HE3 LYS A 69 9.069 10.396 4.358 1.00 1.40 H new ATOM 0 HZ1 LYS A 69 10.677 10.510 6.136 1.00 2.31 H new ATOM 0 HZ2 LYS A 69 9.118 10.300 6.775 1.00 2.31 H new ATOM 0 HZ3 LYS A 69 10.196 8.990 6.720 1.00 2.31 H new ATOM 1104 N GLY A 70 5.044 4.637 4.880 1.00 0.52 N ATOM 1105 CA GLY A 70 4.784 3.640 5.911 1.00 0.56 C ATOM 1106 C GLY A 70 5.715 2.436 5.799 1.00 0.70 C ATOM 1107 O GLY A 70 6.459 2.153 6.733 1.00 1.10 O ATOM 0 H GLY A 70 4.304 4.692 4.180 1.00 0.52 H new ATOM 0 HA2 GLY A 70 4.901 4.097 6.893 1.00 0.56 H new ATOM 0 HA3 GLY A 70 3.749 3.305 5.837 1.00 0.56 H new ATOM 1111 N PHE A 71 5.673 1.728 4.664 1.00 0.65 N ATOM 1112 CA PHE A 71 6.507 0.554 4.400 1.00 0.75 C ATOM 1113 C PHE A 71 8.004 0.817 4.607 1.00 0.75 C ATOM 1114 O PHE A 71 8.644 0.025 5.300 1.00 1.00 O ATOM 1115 CB PHE A 71 6.248 0.013 2.983 1.00 0.79 C ATOM 1116 CG PHE A 71 4.963 -0.774 2.838 1.00 0.97 C ATOM 1117 CD1 PHE A 71 4.900 -2.085 3.344 1.00 2.13 C ATOM 1118 CD2 PHE A 71 3.849 -0.223 2.176 1.00 1.44 C ATOM 1119 CE1 PHE A 71 3.728 -2.842 3.194 1.00 2.33 C ATOM 1120 CE2 PHE A 71 2.685 -0.992 2.004 1.00 1.54 C ATOM 1121 CZ PHE A 71 2.621 -2.296 2.522 1.00 1.46 C ATOM 0 H PHE A 71 5.048 1.960 3.892 1.00 0.65 H new ATOM 0 HA PHE A 71 6.219 -0.199 5.134 1.00 0.75 H new ATOM 0 HB2 PHE A 71 6.227 0.851 2.286 1.00 0.79 H new ATOM 0 HB3 PHE A 71 7.084 -0.623 2.692 1.00 0.79 H new ATOM 0 HD1 PHE A 71 5.755 -2.510 3.849 1.00 2.13 H new ATOM 0 HD2 PHE A 71 3.889 0.789 1.801 1.00 1.44 H new ATOM 0 HE1 PHE A 71 3.677 -3.844 3.595 1.00 2.33 H new ATOM 0 HE2 PHE A 71 1.839 -0.580 1.473 1.00 1.54 H new ATOM 0 HZ PHE A 71 1.720 -2.880 2.404 1.00 1.46 H new ATOM 1131 N SER A 72 8.572 1.865 3.985 1.00 0.48 N ATOM 1132 CA SER A 72 10.018 2.101 3.918 1.00 0.31 C ATOM 1133 C SER A 72 10.324 3.448 3.228 1.00 0.37 C ATOM 1134 O SER A 72 9.486 3.946 2.474 1.00 0.54 O ATOM 1135 CB SER A 72 10.606 0.926 3.123 1.00 0.38 C ATOM 1136 OG SER A 72 11.960 1.092 2.763 1.00 1.53 O ATOM 0 H SER A 72 8.026 2.582 3.508 1.00 0.48 H new ATOM 0 HA SER A 72 10.457 2.159 4.914 1.00 0.31 H new ATOM 0 HB2 SER A 72 10.508 0.016 3.715 1.00 0.38 H new ATOM 0 HB3 SER A 72 10.016 0.783 2.218 1.00 0.38 H new ATOM 0 HG SER A 72 12.264 0.306 2.262 1.00 1.53 H new ATOM 1142 N PRO A 73 11.502 4.064 3.444 1.00 0.44 N ATOM 1143 CA PRO A 73 11.936 5.225 2.665 1.00 0.55 C ATOM 1144 C PRO A 73 12.216 4.882 1.185 1.00 0.50 C ATOM 1145 O PRO A 73 12.242 3.720 0.792 1.00 0.40 O ATOM 1146 CB PRO A 73 13.184 5.746 3.389 1.00 0.67 C ATOM 1147 CG PRO A 73 13.765 4.485 4.021 1.00 0.63 C ATOM 1148 CD PRO A 73 12.510 3.719 4.436 1.00 0.56 C ATOM 0 HA PRO A 73 11.153 5.982 2.613 1.00 0.55 H new ATOM 0 HB2 PRO A 73 13.887 6.212 2.698 1.00 0.67 H new ATOM 0 HB3 PRO A 73 12.932 6.495 4.140 1.00 0.67 H new ATOM 0 HG2 PRO A 73 14.372 3.919 3.314 1.00 0.63 H new ATOM 0 HG3 PRO A 73 14.402 4.715 4.875 1.00 0.63 H new ATOM 0 HD2 PRO A 73 12.693 2.645 4.453 1.00 0.56 H new ATOM 0 HD3 PRO A 73 12.189 4.004 5.438 1.00 0.56 H new ATOM 1156 N ASP A 74 12.375 5.942 0.380 1.00 0.66 N ATOM 1157 CA ASP A 74 12.421 6.015 -1.097 1.00 0.75 C ATOM 1158 C ASP A 74 11.009 6.177 -1.679 1.00 0.76 C ATOM 1159 O ASP A 74 10.824 6.492 -2.848 1.00 1.09 O ATOM 1160 CB ASP A 74 13.205 4.868 -1.765 1.00 1.19 C ATOM 1161 CG ASP A 74 13.618 5.226 -3.202 1.00 2.18 C ATOM 1162 OD1 ASP A 74 14.391 6.203 -3.329 1.00 2.52 O ATOM 1163 OD2 ASP A 74 13.163 4.528 -4.142 1.00 3.62 O ATOM 0 H ASP A 74 12.487 6.871 0.786 1.00 0.66 H new ATOM 0 HA ASP A 74 12.995 6.909 -1.339 1.00 0.75 H new ATOM 0 HB2 ASP A 74 14.094 4.643 -1.176 1.00 1.19 H new ATOM 0 HB3 ASP A 74 12.593 3.966 -1.776 1.00 1.19 H new ATOM 1168 N ALA A 75 10.009 6.095 -0.802 1.00 0.67 N ATOM 1169 CA ALA A 75 8.627 6.517 -0.931 1.00 0.92 C ATOM 1170 C ALA A 75 8.435 8.036 -1.157 1.00 1.56 C ATOM 1171 O ALA A 75 7.636 8.689 -0.481 1.00 3.36 O ATOM 1172 CB ALA A 75 7.975 6.089 0.371 1.00 0.63 C ATOM 0 H ALA A 75 10.174 5.684 0.117 1.00 0.67 H new ATOM 0 HA ALA A 75 8.185 6.064 -1.818 1.00 0.92 H new ATOM 0 HB1 ALA A 75 6.922 6.370 0.360 1.00 0.63 H new ATOM 0 HB2 ALA A 75 8.061 5.008 0.483 1.00 0.63 H new ATOM 0 HB3 ALA A 75 8.473 6.581 1.206 1.00 0.63 H new ATOM 1178 N ARG A 76 9.166 8.596 -2.124 1.00 0.73 N ATOM 1179 CA ARG A 76 8.828 9.845 -2.817 1.00 0.73 C ATOM 1180 C ARG A 76 7.365 9.835 -3.281 1.00 0.64 C ATOM 1181 O ARG A 76 6.785 8.775 -3.513 1.00 1.27 O ATOM 1182 CB ARG A 76 9.785 10.061 -4.007 1.00 1.09 C ATOM 1183 CG ARG A 76 10.121 8.771 -4.792 1.00 0.97 C ATOM 1184 CD ARG A 76 10.105 8.956 -6.310 1.00 1.89 C ATOM 1185 NE ARG A 76 11.156 9.888 -6.755 1.00 2.76 N ATOM 1186 CZ ARG A 76 11.195 10.547 -7.905 1.00 4.14 C ATOM 1187 NH1 ARG A 76 10.255 10.412 -8.812 1.00 5.00 N ATOM 1188 NH2 ARG A 76 12.192 11.358 -8.163 1.00 5.07 N ATOM 0 H ARG A 76 10.036 8.181 -2.458 1.00 0.73 H new ATOM 0 HA ARG A 76 8.946 10.675 -2.121 1.00 0.73 H new ATOM 0 HB2 ARG A 76 9.339 10.783 -4.691 1.00 1.09 H new ATOM 0 HB3 ARG A 76 10.712 10.501 -3.638 1.00 1.09 H new ATOM 0 HG2 ARG A 76 11.106 8.417 -4.488 1.00 0.97 H new ATOM 0 HG3 ARG A 76 9.406 7.994 -4.522 1.00 0.97 H new ATOM 0 HD2 ARG A 76 10.245 7.990 -6.796 1.00 1.89 H new ATOM 0 HD3 ARG A 76 9.130 9.331 -6.621 1.00 1.89 H new ATOM 0 HE ARG A 76 11.933 10.042 -6.113 1.00 2.76 H new ATOM 0 HH11 ARG A 76 9.467 9.787 -8.641 1.00 5.00 H new ATOM 0 HH12 ARG A 76 10.312 10.932 -9.687 1.00 5.00 H new ATOM 0 HH21 ARG A 76 12.938 11.482 -7.479 1.00 5.07 H new ATOM 0 HH22 ARG A 76 12.221 11.865 -9.048 1.00 5.07 H new ATOM 1202 N ASP A 77 6.786 11.025 -3.422 1.00 0.50 N ATOM 1203 CA ASP A 77 5.405 11.234 -3.835 1.00 0.38 C ATOM 1204 C ASP A 77 5.119 10.621 -5.215 1.00 0.41 C ATOM 1205 O ASP A 77 5.828 10.886 -6.189 1.00 0.54 O ATOM 1206 CB ASP A 77 5.038 12.730 -3.746 1.00 0.65 C ATOM 1207 CG ASP A 77 6.076 13.683 -4.360 1.00 1.70 C ATOM 1208 OD1 ASP A 77 7.235 13.653 -3.875 1.00 2.89 O ATOM 1209 OD2 ASP A 77 5.694 14.457 -5.264 1.00 2.88 O ATOM 0 H ASP A 77 7.284 11.898 -3.246 1.00 0.50 H new ATOM 0 HA ASP A 77 4.753 10.702 -3.142 1.00 0.38 H new ATOM 0 HB2 ASP A 77 4.082 12.886 -4.245 1.00 0.65 H new ATOM 0 HB3 ASP A 77 4.897 12.994 -2.698 1.00 0.65 H new ATOM 1214 N LEU A 78 4.094 9.761 -5.280 1.00 0.41 N ATOM 1215 CA LEU A 78 3.629 9.155 -6.527 1.00 0.59 C ATOM 1216 C LEU A 78 2.933 10.203 -7.408 1.00 0.49 C ATOM 1217 O LEU A 78 2.533 11.275 -6.944 1.00 0.48 O ATOM 1218 CB LEU A 78 2.690 7.960 -6.243 1.00 0.85 C ATOM 1219 CG LEU A 78 3.254 6.869 -5.308 1.00 1.12 C ATOM 1220 CD1 LEU A 78 2.344 5.637 -5.333 1.00 1.75 C ATOM 1221 CD2 LEU A 78 4.667 6.429 -5.712 1.00 1.80 C ATOM 0 H LEU A 78 3.563 9.466 -4.461 1.00 0.41 H new ATOM 0 HA LEU A 78 4.497 8.777 -7.068 1.00 0.59 H new ATOM 0 HB2 LEU A 78 1.767 8.343 -5.808 1.00 0.85 H new ATOM 0 HB3 LEU A 78 2.426 7.496 -7.193 1.00 0.85 H new ATOM 0 HG LEU A 78 3.297 7.303 -4.309 1.00 1.12 H new ATOM 0 HD11 LEU A 78 2.749 4.872 -4.671 1.00 1.75 H new ATOM 0 HD12 LEU A 78 1.345 5.916 -4.997 1.00 1.75 H new ATOM 0 HD13 LEU A 78 2.289 5.246 -6.349 1.00 1.75 H new ATOM 0 HD21 LEU A 78 5.019 5.661 -5.024 1.00 1.80 H new ATOM 0 HD22 LEU A 78 4.647 6.027 -6.725 1.00 1.80 H new ATOM 0 HD23 LEU A 78 5.340 7.286 -5.674 1.00 1.80 H new ATOM 1233 N SER A 79 2.743 9.880 -8.690 1.00 0.50 N ATOM 1234 CA SER A 79 1.989 10.733 -9.606 1.00 0.42 C ATOM 1235 C SER A 79 0.564 10.943 -9.110 1.00 0.37 C ATOM 1236 O SER A 79 -0.093 10.018 -8.629 1.00 0.40 O ATOM 1237 CB SER A 79 1.956 10.092 -10.991 1.00 0.42 C ATOM 1238 OG SER A 79 1.136 10.766 -11.921 1.00 1.17 O ATOM 0 H SER A 79 3.105 9.027 -9.117 1.00 0.50 H new ATOM 0 HA SER A 79 2.483 11.703 -9.657 1.00 0.42 H new ATOM 0 HB2 SER A 79 2.972 10.049 -11.383 1.00 0.42 H new ATOM 0 HB3 SER A 79 1.608 9.064 -10.895 1.00 0.42 H new ATOM 0 HG SER A 79 0.927 10.166 -12.667 1.00 1.17 H new ATOM 1244 N ALA A 80 0.041 12.147 -9.346 1.00 0.44 N ATOM 1245 CA ALA A 80 -1.369 12.438 -9.154 1.00 0.52 C ATOM 1246 C ALA A 80 -2.260 11.453 -9.927 1.00 0.50 C ATOM 1247 O ALA A 80 -3.321 11.084 -9.432 1.00 0.60 O ATOM 1248 CB ALA A 80 -1.634 13.883 -9.589 1.00 0.64 C ATOM 0 H ALA A 80 0.587 12.943 -9.675 1.00 0.44 H new ATOM 0 HA ALA A 80 -1.619 12.321 -8.100 1.00 0.52 H new ATOM 0 HB1 ALA A 80 -2.690 14.117 -9.451 1.00 0.64 H new ATOM 0 HB2 ALA A 80 -1.030 14.561 -8.986 1.00 0.64 H new ATOM 0 HB3 ALA A 80 -1.371 14.001 -10.640 1.00 0.64 H new ATOM 1254 N LYS A 81 -1.822 10.991 -11.113 1.00 0.46 N ATOM 1255 CA LYS A 81 -2.553 10.007 -11.925 1.00 0.49 C ATOM 1256 C LYS A 81 -2.622 8.643 -11.249 1.00 0.45 C ATOM 1257 O LYS A 81 -3.647 7.972 -11.350 1.00 0.49 O ATOM 1258 CB LYS A 81 -1.903 9.841 -13.311 1.00 0.56 C ATOM 1259 CG LYS A 81 -1.609 11.145 -14.069 1.00 0.58 C ATOM 1260 CD LYS A 81 -2.859 12.022 -14.160 1.00 1.81 C ATOM 1261 CE LYS A 81 -2.599 13.247 -15.043 1.00 2.28 C ATOM 1262 NZ LYS A 81 -3.781 14.139 -15.092 1.00 3.35 N ATOM 0 H LYS A 81 -0.944 11.294 -11.535 1.00 0.46 H new ATOM 0 HA LYS A 81 -3.566 10.394 -12.036 1.00 0.49 H new ATOM 0 HB2 LYS A 81 -0.968 9.294 -13.190 1.00 0.56 H new ATOM 0 HB3 LYS A 81 -2.557 9.224 -13.927 1.00 0.56 H new ATOM 0 HG2 LYS A 81 -0.813 11.692 -13.563 1.00 0.58 H new ATOM 0 HG3 LYS A 81 -1.249 10.913 -15.072 1.00 0.58 H new ATOM 0 HD2 LYS A 81 -3.687 11.442 -14.568 1.00 1.81 H new ATOM 0 HD3 LYS A 81 -3.157 12.344 -13.162 1.00 1.81 H new ATOM 0 HE2 LYS A 81 -1.741 13.799 -14.659 1.00 2.28 H new ATOM 0 HE3 LYS A 81 -2.344 12.923 -16.052 1.00 2.28 H new ATOM 0 HZ1 LYS A 81 -3.573 14.958 -15.698 1.00 3.35 H new ATOM 0 HZ2 LYS A 81 -4.593 13.618 -15.481 1.00 3.35 H new ATOM 0 HZ3 LYS A 81 -4.008 14.467 -14.132 1.00 3.35 H new ATOM 1276 N GLU A 82 -1.552 8.283 -10.536 1.00 0.43 N ATOM 1277 CA GLU A 82 -1.493 7.120 -9.665 1.00 0.41 C ATOM 1278 C GLU A 82 -2.563 7.274 -8.579 1.00 0.39 C ATOM 1279 O GLU A 82 -3.576 6.580 -8.610 1.00 0.54 O ATOM 1280 CB GLU A 82 -0.070 6.970 -9.082 1.00 0.48 C ATOM 1281 CG GLU A 82 0.314 5.504 -8.912 1.00 0.68 C ATOM 1282 CD GLU A 82 -0.699 4.809 -8.008 1.00 2.30 C ATOM 1283 OE1 GLU A 82 -0.618 5.048 -6.786 1.00 3.14 O ATOM 1284 OE2 GLU A 82 -1.573 4.110 -8.566 1.00 3.73 O ATOM 0 H GLU A 82 -0.680 8.812 -10.553 1.00 0.43 H new ATOM 0 HA GLU A 82 -1.700 6.205 -10.220 1.00 0.41 H new ATOM 0 HB2 GLU A 82 0.647 7.461 -9.740 1.00 0.48 H new ATOM 0 HB3 GLU A 82 -0.016 7.475 -8.118 1.00 0.48 H new ATOM 0 HG2 GLU A 82 0.347 5.012 -9.884 1.00 0.68 H new ATOM 0 HG3 GLU A 82 1.313 5.427 -8.482 1.00 0.68 H new ATOM 1291 N THR A 83 -2.395 8.264 -7.692 1.00 0.38 N ATOM 1292 CA THR A 83 -3.294 8.527 -6.563 1.00 0.39 C ATOM 1293 C THR A 83 -4.765 8.601 -6.980 1.00 0.47 C ATOM 1294 O THR A 83 -5.614 8.004 -6.318 1.00 0.52 O ATOM 1295 CB THR A 83 -2.845 9.793 -5.814 1.00 0.58 C ATOM 1296 OG1 THR A 83 -1.667 9.481 -5.117 1.00 1.83 O ATOM 1297 CG2 THR A 83 -3.852 10.310 -4.785 1.00 1.54 C ATOM 0 H THR A 83 -1.613 8.918 -7.741 1.00 0.38 H new ATOM 0 HA THR A 83 -3.225 7.678 -5.883 1.00 0.39 H new ATOM 0 HB THR A 83 -2.723 10.573 -6.566 1.00 0.58 H new ATOM 0 HG1 THR A 83 -1.042 10.234 -5.177 1.00 1.83 H new ATOM 0 HG21 THR A 83 -3.455 11.204 -4.305 1.00 1.54 H new ATOM 0 HG22 THR A 83 -4.790 10.553 -5.284 1.00 1.54 H new ATOM 0 HG23 THR A 83 -4.030 9.542 -4.032 1.00 1.54 H new ATOM 1305 N LYS A 84 -5.072 9.281 -8.094 1.00 0.58 N ATOM 1306 CA LYS A 84 -6.424 9.404 -8.651 1.00 0.80 C ATOM 1307 C LYS A 84 -7.084 8.039 -8.885 1.00 0.85 C ATOM 1308 O LYS A 84 -8.232 7.844 -8.486 1.00 1.06 O ATOM 1309 CB LYS A 84 -6.345 10.234 -9.942 1.00 0.89 C ATOM 1310 CG LYS A 84 -7.698 10.786 -10.404 1.00 1.16 C ATOM 1311 CD LYS A 84 -7.514 11.536 -11.728 1.00 1.23 C ATOM 1312 CE LYS A 84 -8.847 12.149 -12.167 1.00 1.81 C ATOM 1313 NZ LYS A 84 -8.792 12.624 -13.569 1.00 2.40 N ATOM 0 H LYS A 84 -4.368 9.772 -8.645 1.00 0.58 H new ATOM 0 HA LYS A 84 -7.062 9.914 -7.930 1.00 0.80 H new ATOM 0 HB2 LYS A 84 -5.657 11.065 -9.787 1.00 0.89 H new ATOM 0 HB3 LYS A 84 -5.925 9.616 -10.735 1.00 0.89 H new ATOM 0 HG2 LYS A 84 -8.412 9.972 -10.530 1.00 1.16 H new ATOM 0 HG3 LYS A 84 -8.108 11.455 -9.648 1.00 1.16 H new ATOM 0 HD2 LYS A 84 -6.764 12.319 -11.612 1.00 1.23 H new ATOM 0 HD3 LYS A 84 -7.147 10.854 -12.495 1.00 1.23 H new ATOM 0 HE2 LYS A 84 -9.640 11.409 -12.064 1.00 1.81 H new ATOM 0 HE3 LYS A 84 -9.100 12.981 -11.510 1.00 1.81 H new ATOM 0 HZ1 LYS A 84 -9.711 13.033 -13.833 1.00 2.40 H new ATOM 0 HZ2 LYS A 84 -8.051 13.348 -13.661 1.00 2.40 H new ATOM 0 HZ3 LYS A 84 -8.575 11.825 -14.198 1.00 2.40 H new ATOM 1327 N MET A 85 -6.370 7.099 -9.515 1.00 0.74 N ATOM 1328 CA MET A 85 -6.874 5.745 -9.754 1.00 0.88 C ATOM 1329 C MET A 85 -6.748 4.859 -8.513 1.00 0.83 C ATOM 1330 O MET A 85 -7.697 4.150 -8.199 1.00 1.02 O ATOM 1331 CB MET A 85 -6.123 5.111 -10.937 1.00 0.91 C ATOM 1332 CG MET A 85 -6.852 3.901 -11.536 1.00 1.45 C ATOM 1333 SD MET A 85 -8.086 4.331 -12.797 1.00 3.28 S ATOM 1334 CE MET A 85 -7.869 2.926 -13.927 1.00 2.88 C ATOM 0 H MET A 85 -5.428 7.257 -9.872 1.00 0.74 H new ATOM 0 HA MET A 85 -7.935 5.822 -9.992 1.00 0.88 H new ATOM 0 HB2 MET A 85 -5.981 5.862 -11.714 1.00 0.91 H new ATOM 0 HB3 MET A 85 -5.131 4.803 -10.606 1.00 0.91 H new ATOM 0 HG2 MET A 85 -6.116 3.228 -11.977 1.00 1.45 H new ATOM 0 HG3 MET A 85 -7.344 3.352 -10.733 1.00 1.45 H new ATOM 0 HE1 MET A 85 -8.555 3.027 -14.768 1.00 2.88 H new ATOM 0 HE2 MET A 85 -6.843 2.910 -14.295 1.00 2.88 H new ATOM 0 HE3 MET A 85 -8.079 1.997 -13.397 1.00 2.88 H new ATOM 1344 N LEU A 86 -5.623 4.906 -7.789 1.00 0.59 N ATOM 1345 CA LEU A 86 -5.403 4.135 -6.568 1.00 0.55 C ATOM 1346 C LEU A 86 -6.433 4.462 -5.488 1.00 0.62 C ATOM 1347 O LEU A 86 -6.791 3.567 -4.737 1.00 0.79 O ATOM 1348 CB LEU A 86 -3.972 4.347 -6.045 1.00 0.46 C ATOM 1349 CG LEU A 86 -3.631 3.570 -4.752 1.00 0.69 C ATOM 1350 CD1 LEU A 86 -3.770 2.057 -4.934 1.00 2.00 C ATOM 1351 CD2 LEU A 86 -2.209 3.897 -4.304 1.00 1.59 C ATOM 0 H LEU A 86 -4.828 5.493 -8.043 1.00 0.59 H new ATOM 0 HA LEU A 86 -5.529 3.082 -6.821 1.00 0.55 H new ATOM 0 HB2 LEU A 86 -3.269 4.054 -6.824 1.00 0.46 H new ATOM 0 HB3 LEU A 86 -3.821 5.411 -5.863 1.00 0.46 H new ATOM 0 HG LEU A 86 -4.345 3.883 -3.990 1.00 0.69 H new ATOM 0 HD11 LEU A 86 -3.520 1.554 -4.000 1.00 2.00 H new ATOM 0 HD12 LEU A 86 -4.796 1.817 -5.213 1.00 2.00 H new ATOM 0 HD13 LEU A 86 -3.093 1.721 -5.719 1.00 2.00 H new ATOM 0 HD21 LEU A 86 -1.979 3.345 -3.393 1.00 1.59 H new ATOM 0 HD22 LEU A 86 -1.506 3.613 -5.088 1.00 1.59 H new ATOM 0 HD23 LEU A 86 -2.125 4.967 -4.111 1.00 1.59 H new ATOM 1363 N MET A 87 -6.949 5.690 -5.396 1.00 0.60 N ATOM 1364 CA MET A 87 -8.012 5.977 -4.434 1.00 0.74 C ATOM 1365 C MET A 87 -9.279 5.181 -4.786 1.00 0.86 C ATOM 1366 O MET A 87 -9.804 4.432 -3.964 1.00 0.93 O ATOM 1367 CB MET A 87 -8.279 7.486 -4.370 1.00 0.86 C ATOM 1368 CG MET A 87 -9.112 7.777 -3.124 1.00 1.54 C ATOM 1369 SD MET A 87 -9.813 9.441 -3.049 1.00 2.00 S ATOM 1370 CE MET A 87 -11.566 9.004 -3.185 1.00 2.56 C ATOM 0 H MET A 87 -6.655 6.485 -5.963 1.00 0.60 H new ATOM 0 HA MET A 87 -7.693 5.660 -3.441 1.00 0.74 H new ATOM 0 HB2 MET A 87 -7.339 8.036 -4.334 1.00 0.86 H new ATOM 0 HB3 MET A 87 -8.807 7.816 -5.265 1.00 0.86 H new ATOM 0 HG2 MET A 87 -9.925 7.053 -3.071 1.00 1.54 H new ATOM 0 HG3 MET A 87 -8.489 7.621 -2.243 1.00 1.54 H new ATOM 0 HE1 MET A 87 -12.170 9.911 -3.157 1.00 2.56 H new ATOM 0 HE2 MET A 87 -11.739 8.481 -4.126 1.00 2.56 H new ATOM 0 HE3 MET A 87 -11.845 8.357 -2.354 1.00 2.56 H new ATOM 1380 N ALA A 88 -9.745 5.321 -6.031 1.00 0.95 N ATOM 1381 CA ALA A 88 -10.946 4.666 -6.537 1.00 1.11 C ATOM 1382 C ALA A 88 -10.811 3.133 -6.602 1.00 1.05 C ATOM 1383 O ALA A 88 -11.691 2.419 -6.128 1.00 1.17 O ATOM 1384 CB ALA A 88 -11.262 5.270 -7.909 1.00 1.29 C ATOM 0 H ALA A 88 -9.284 5.907 -6.727 1.00 0.95 H new ATOM 0 HA ALA A 88 -11.770 4.844 -5.846 1.00 1.11 H new ATOM 0 HB1 ALA A 88 -12.157 4.800 -8.316 1.00 1.29 H new ATOM 0 HB2 ALA A 88 -11.430 6.342 -7.805 1.00 1.29 H new ATOM 0 HB3 ALA A 88 -10.424 5.098 -8.584 1.00 1.29 H new ATOM 1390 N ALA A 89 -9.725 2.615 -7.188 1.00 0.96 N ATOM 1391 CA ALA A 89 -9.494 1.180 -7.370 1.00 0.96 C ATOM 1392 C ALA A 89 -8.866 0.499 -6.141 1.00 0.70 C ATOM 1393 O ALA A 89 -8.979 -0.719 -6.003 1.00 0.76 O ATOM 1394 CB ALA A 89 -8.611 0.984 -8.607 1.00 1.30 C ATOM 0 H ALA A 89 -8.969 3.193 -7.555 1.00 0.96 H new ATOM 0 HA ALA A 89 -10.463 0.700 -7.506 1.00 0.96 H new ATOM 0 HB1 ALA A 89 -8.428 -0.080 -8.759 1.00 1.30 H new ATOM 0 HB2 ALA A 89 -9.115 1.394 -9.482 1.00 1.30 H new ATOM 0 HB3 ALA A 89 -7.661 1.498 -8.461 1.00 1.30 H new ATOM 1400 N GLY A 90 -8.242 1.273 -5.244 1.00 0.73 N ATOM 1401 CA GLY A 90 -7.711 0.815 -3.963 1.00 0.73 C ATOM 1402 C GLY A 90 -8.804 0.409 -2.988 1.00 0.55 C ATOM 1403 O GLY A 90 -8.571 -0.472 -2.167 1.00 0.91 O ATOM 0 H GLY A 90 -8.090 2.269 -5.400 1.00 0.73 H new ATOM 0 HA2 GLY A 90 -7.047 -0.033 -4.132 1.00 0.73 H new ATOM 0 HA3 GLY A 90 -7.109 1.608 -3.519 1.00 0.73 H new ATOM 1407 N ASP A 91 -9.998 0.999 -3.100 1.00 0.37 N ATOM 1408 CA ASP A 91 -11.165 0.510 -2.388 1.00 0.69 C ATOM 1409 C ASP A 91 -12.223 -0.073 -3.345 1.00 0.46 C ATOM 1410 O ASP A 91 -13.186 0.589 -3.740 1.00 0.46 O ATOM 1411 CB ASP A 91 -11.781 1.569 -1.484 1.00 1.28 C ATOM 1412 CG ASP A 91 -12.843 0.878 -0.623 1.00 2.05 C ATOM 1413 OD1 ASP A 91 -13.042 -0.345 -0.771 1.00 2.37 O ATOM 1414 OD2 ASP A 91 -13.514 1.533 0.204 1.00 3.13 O ATOM 0 H ASP A 91 -10.174 1.819 -3.681 1.00 0.37 H new ATOM 0 HA ASP A 91 -10.810 -0.298 -1.748 1.00 0.69 H new ATOM 0 HB2 ASP A 91 -11.018 2.028 -0.856 1.00 1.28 H new ATOM 0 HB3 ASP A 91 -12.228 2.367 -2.077 1.00 1.28 H new ATOM 1419 N LYS A 92 -12.091 -1.371 -3.612 1.00 0.64 N ATOM 1420 CA LYS A 92 -13.076 -2.192 -4.322 1.00 0.71 C ATOM 1421 C LYS A 92 -14.439 -2.336 -3.611 1.00 0.62 C ATOM 1422 O LYS A 92 -15.394 -2.753 -4.261 1.00 0.76 O ATOM 1423 CB LYS A 92 -12.467 -3.583 -4.511 1.00 0.97 C ATOM 1424 CG LYS A 92 -11.225 -3.637 -5.424 1.00 2.08 C ATOM 1425 CD LYS A 92 -11.526 -3.573 -6.925 1.00 3.39 C ATOM 1426 CE LYS A 92 -10.354 -4.209 -7.687 1.00 4.01 C ATOM 1427 NZ LYS A 92 -10.282 -3.756 -9.094 1.00 5.25 N ATOM 0 H LYS A 92 -11.266 -1.901 -3.331 1.00 0.64 H new ATOM 0 HA LYS A 92 -13.291 -1.685 -5.263 1.00 0.71 H new ATOM 0 HB2 LYS A 92 -12.196 -3.980 -3.532 1.00 0.97 H new ATOM 0 HB3 LYS A 92 -13.230 -4.243 -4.923 1.00 0.97 H new ATOM 0 HG2 LYS A 92 -10.565 -2.809 -5.165 1.00 2.08 H new ATOM 0 HG3 LYS A 92 -10.679 -4.557 -5.216 1.00 2.08 H new ATOM 0 HD2 LYS A 92 -12.453 -4.101 -7.148 1.00 3.39 H new ATOM 0 HD3 LYS A 92 -11.665 -2.539 -7.239 1.00 3.39 H new ATOM 0 HE2 LYS A 92 -9.420 -3.964 -7.181 1.00 4.01 H new ATOM 0 HE3 LYS A 92 -10.455 -5.294 -7.662 1.00 4.01 H new ATOM 0 HZ1 LYS A 92 -9.475 -4.213 -9.565 1.00 5.25 H new ATOM 0 HZ2 LYS A 92 -11.161 -4.012 -9.587 1.00 5.25 H new ATOM 0 HZ3 LYS A 92 -10.159 -2.724 -9.120 1.00 5.25 H new ATOM 1441 N ASP A 93 -14.558 -2.007 -2.317 1.00 0.59 N ATOM 1442 CA ASP A 93 -15.815 -2.013 -1.546 1.00 0.64 C ATOM 1443 C ASP A 93 -16.682 -0.789 -1.893 1.00 0.60 C ATOM 1444 O ASP A 93 -17.898 -0.814 -1.725 1.00 0.71 O ATOM 1445 CB ASP A 93 -15.434 -2.000 -0.055 1.00 0.83 C ATOM 1446 CG ASP A 93 -16.524 -2.313 0.962 1.00 0.94 C ATOM 1447 OD1 ASP A 93 -17.353 -3.210 0.694 1.00 1.54 O ATOM 1448 OD2 ASP A 93 -16.430 -1.679 2.041 1.00 1.28 O ATOM 0 H ASP A 93 -13.756 -1.719 -1.757 1.00 0.59 H new ATOM 0 HA ASP A 93 -16.403 -2.898 -1.788 1.00 0.64 H new ATOM 0 HB2 ASP A 93 -14.626 -2.717 0.090 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -15.032 -1.014 0.179 1.00 0.83 H new ATOM 1453 N GLY A 94 -16.055 0.270 -2.427 1.00 0.59 N ATOM 1454 CA GLY A 94 -16.725 1.418 -3.034 1.00 0.76 C ATOM 1455 C GLY A 94 -16.719 2.707 -2.213 1.00 0.90 C ATOM 1456 O GLY A 94 -17.146 3.733 -2.734 1.00 1.45 O ATOM 0 H GLY A 94 -15.038 0.348 -2.446 1.00 0.59 H new ATOM 0 HA2 GLY A 94 -16.255 1.621 -3.996 1.00 0.76 H new ATOM 0 HA3 GLY A 94 -17.760 1.144 -3.237 1.00 0.76 H new ATOM 1460 N ASP A 95 -16.234 2.700 -0.963 1.00 0.64 N ATOM 1461 CA ASP A 95 -16.199 3.932 -0.131 1.00 0.82 C ATOM 1462 C ASP A 95 -14.975 4.826 -0.404 1.00 1.00 C ATOM 1463 O ASP A 95 -14.947 5.974 0.031 1.00 1.29 O ATOM 1464 CB ASP A 95 -16.394 3.672 1.387 1.00 1.02 C ATOM 1465 CG ASP A 95 -15.718 2.412 1.909 1.00 1.00 C ATOM 1466 OD1 ASP A 95 -16.059 1.294 1.475 1.00 1.70 O ATOM 1467 OD2 ASP A 95 -14.731 2.430 2.683 1.00 2.57 O ATOM 0 H ASP A 95 -15.862 1.870 -0.502 1.00 0.64 H new ATOM 0 HA ASP A 95 -17.073 4.495 -0.458 1.00 0.82 H new ATOM 0 HB2 ASP A 95 -16.011 4.529 1.941 1.00 1.02 H new ATOM 0 HB3 ASP A 95 -17.462 3.608 1.597 1.00 1.02 H new ATOM 1472 N GLY A 96 -13.980 4.333 -1.150 1.00 1.11 N ATOM 1473 CA GLY A 96 -12.829 5.111 -1.625 1.00 1.31 C ATOM 1474 C GLY A 96 -11.672 5.187 -0.626 1.00 1.05 C ATOM 1475 O GLY A 96 -10.662 5.825 -0.914 1.00 1.30 O ATOM 0 H GLY A 96 -13.952 3.358 -1.448 1.00 1.11 H new ATOM 0 HA2 GLY A 96 -12.465 4.671 -2.554 1.00 1.31 H new ATOM 0 HA3 GLY A 96 -13.160 6.123 -1.860 1.00 1.31 H new ATOM 1479 N LYS A 97 -11.810 4.534 0.535 1.00 0.61 N ATOM 1480 CA LYS A 97 -10.766 4.349 1.539 1.00 0.52 C ATOM 1481 C LYS A 97 -10.262 2.924 1.530 1.00 0.55 C ATOM 1482 O LYS A 97 -11.051 2.000 1.721 1.00 0.68 O ATOM 1483 CB LYS A 97 -11.339 4.654 2.920 1.00 0.62 C ATOM 1484 CG LYS A 97 -11.280 6.161 3.150 1.00 0.66 C ATOM 1485 CD LYS A 97 -12.538 6.736 3.772 1.00 1.02 C ATOM 1486 CE LYS A 97 -12.787 6.178 5.175 1.00 2.14 C ATOM 1487 NZ LYS A 97 -14.126 6.558 5.673 1.00 2.74 N ATOM 0 H LYS A 97 -12.693 4.103 0.808 1.00 0.61 H new ATOM 0 HA LYS A 97 -9.940 5.021 1.308 1.00 0.52 H new ATOM 0 HB2 LYS A 97 -12.368 4.301 2.989 1.00 0.62 H new ATOM 0 HB3 LYS A 97 -10.770 4.131 3.689 1.00 0.62 H new ATOM 0 HG2 LYS A 97 -10.431 6.388 3.795 1.00 0.66 H new ATOM 0 HG3 LYS A 97 -11.098 6.658 2.197 1.00 0.66 H new ATOM 0 HD2 LYS A 97 -12.454 7.822 3.823 1.00 1.02 H new ATOM 0 HD3 LYS A 97 -13.393 6.511 3.135 1.00 1.02 H new ATOM 0 HE2 LYS A 97 -12.697 5.092 5.158 1.00 2.14 H new ATOM 0 HE3 LYS A 97 -12.023 6.550 5.858 1.00 2.14 H new ATOM 0 HZ1 LYS A 97 -14.266 6.166 6.626 1.00 2.74 H new ATOM 0 HZ2 LYS A 97 -14.201 7.595 5.711 1.00 2.74 H new ATOM 0 HZ3 LYS A 97 -14.854 6.181 5.033 1.00 2.74 H new ATOM 1501 N ILE A 98 -8.946 2.765 1.383 1.00 0.45 N ATOM 1502 CA ILE A 98 -8.314 1.452 1.509 1.00 0.46 C ATOM 1503 C ILE A 98 -8.536 1.017 2.952 1.00 0.43 C ATOM 1504 O ILE A 98 -8.125 1.725 3.874 1.00 0.45 O ATOM 1505 CB ILE A 98 -6.817 1.487 1.109 1.00 0.46 C ATOM 1506 CG1 ILE A 98 -6.732 1.781 -0.404 1.00 0.47 C ATOM 1507 CG2 ILE A 98 -6.078 0.173 1.464 1.00 0.48 C ATOM 1508 CD1 ILE A 98 -5.340 1.831 -1.033 1.00 0.53 C ATOM 0 H ILE A 98 -8.299 3.527 1.177 1.00 0.45 H new ATOM 0 HA ILE A 98 -8.756 0.730 0.823 1.00 0.46 H new ATOM 0 HB ILE A 98 -6.317 2.271 1.677 1.00 0.46 H new ATOM 0 HG12 ILE A 98 -7.311 1.021 -0.928 1.00 0.47 H new ATOM 0 HG13 ILE A 98 -7.220 2.738 -0.589 1.00 0.47 H new ATOM 0 HG21 ILE A 98 -5.033 0.250 1.163 1.00 0.48 H new ATOM 0 HG22 ILE A 98 -6.134 0.003 2.539 1.00 0.48 H new ATOM 0 HG23 ILE A 98 -6.546 -0.661 0.940 1.00 0.48 H new ATOM 0 HD11 ILE A 98 -5.429 2.046 -2.098 1.00 0.53 H new ATOM 0 HD12 ILE A 98 -4.752 2.613 -0.553 1.00 0.53 H new ATOM 0 HD13 ILE A 98 -4.845 0.870 -0.897 1.00 0.53 H new ATOM 1520 N GLY A 99 -9.228 -0.110 3.127 1.00 0.39 N ATOM 1521 CA GLY A 99 -9.320 -0.844 4.390 1.00 0.37 C ATOM 1522 C GLY A 99 -8.597 -2.188 4.284 1.00 0.41 C ATOM 1523 O GLY A 99 -8.569 -2.800 3.220 1.00 0.50 O ATOM 0 H GLY A 99 -9.755 -0.550 2.372 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -8.883 -0.252 5.194 1.00 0.37 H new ATOM 0 HA3 GLY A 99 -10.367 -1.007 4.647 1.00 0.37 H new ATOM 1527 N VAL A 100 -8.016 -2.677 5.384 1.00 0.42 N ATOM 1528 CA VAL A 100 -7.125 -3.852 5.359 1.00 0.45 C ATOM 1529 C VAL A 100 -7.720 -5.114 4.728 1.00 0.47 C ATOM 1530 O VAL A 100 -7.048 -5.793 3.951 1.00 0.60 O ATOM 1531 CB VAL A 100 -6.599 -4.164 6.765 1.00 0.56 C ATOM 1532 CG1 VAL A 100 -7.636 -4.594 7.812 1.00 0.74 C ATOM 1533 CG2 VAL A 100 -5.500 -5.214 6.662 1.00 0.74 C ATOM 0 H VAL A 100 -8.146 -2.276 6.313 1.00 0.42 H new ATOM 0 HA VAL A 100 -6.306 -3.561 4.701 1.00 0.45 H new ATOM 0 HB VAL A 100 -6.229 -3.210 7.142 1.00 0.56 H new ATOM 0 HG11 VAL A 100 -7.136 -4.785 8.762 1.00 0.74 H new ATOM 0 HG12 VAL A 100 -8.372 -3.801 7.942 1.00 0.74 H new ATOM 0 HG13 VAL A 100 -8.137 -5.502 7.477 1.00 0.74 H new ATOM 0 HG21 VAL A 100 -5.120 -5.442 7.658 1.00 0.74 H new ATOM 0 HG22 VAL A 100 -5.904 -6.121 6.211 1.00 0.74 H new ATOM 0 HG23 VAL A 100 -4.688 -4.832 6.043 1.00 0.74 H new ATOM 1543 N ASP A 101 -8.972 -5.419 5.070 1.00 0.42 N ATOM 1544 CA ASP A 101 -9.684 -6.628 4.660 1.00 0.55 C ATOM 1545 C ASP A 101 -9.900 -6.653 3.136 1.00 0.55 C ATOM 1546 O ASP A 101 -9.726 -7.680 2.473 1.00 0.67 O ATOM 1547 CB ASP A 101 -11.011 -6.676 5.445 1.00 0.61 C ATOM 1548 CG ASP A 101 -11.303 -8.078 5.978 1.00 1.08 C ATOM 1549 OD1 ASP A 101 -10.476 -8.547 6.793 1.00 2.45 O ATOM 1550 OD2 ASP A 101 -12.342 -8.647 5.583 1.00 1.94 O ATOM 0 H ASP A 101 -9.537 -4.809 5.661 1.00 0.42 H new ATOM 0 HA ASP A 101 -9.098 -7.518 4.889 1.00 0.55 H new ATOM 0 HB2 ASP A 101 -10.967 -5.973 6.276 1.00 0.61 H new ATOM 0 HB3 ASP A 101 -11.828 -6.355 4.799 1.00 0.61 H new ATOM 1555 N GLU A 102 -10.182 -5.470 2.574 1.00 0.45 N ATOM 1556 CA GLU A 102 -10.158 -5.203 1.141 1.00 0.45 C ATOM 1557 C GLU A 102 -8.723 -5.383 0.647 1.00 0.52 C ATOM 1558 O GLU A 102 -8.453 -6.285 -0.134 1.00 0.65 O ATOM 1559 CB GLU A 102 -10.639 -3.770 0.827 1.00 0.49 C ATOM 1560 CG GLU A 102 -12.003 -3.382 1.426 1.00 0.59 C ATOM 1561 CD GLU A 102 -12.118 -1.891 1.787 1.00 0.76 C ATOM 1562 OE1 GLU A 102 -11.198 -1.093 1.519 1.00 2.08 O ATOM 1563 OE2 GLU A 102 -13.152 -1.490 2.377 1.00 1.33 O ATOM 0 H GLU A 102 -10.440 -4.652 3.126 1.00 0.45 H new ATOM 0 HA GLU A 102 -10.832 -5.895 0.637 1.00 0.45 H new ATOM 0 HB2 GLU A 102 -9.889 -3.066 1.189 1.00 0.49 H new ATOM 0 HB3 GLU A 102 -10.690 -3.652 -0.255 1.00 0.49 H new ATOM 0 HG2 GLU A 102 -12.788 -3.636 0.714 1.00 0.59 H new ATOM 0 HG3 GLU A 102 -12.180 -3.978 2.321 1.00 0.59 H new ATOM 1570 N PHE A 103 -7.794 -4.551 1.132 1.00 0.52 N ATOM 1571 CA PHE A 103 -6.426 -4.399 0.644 1.00 0.59 C ATOM 1572 C PHE A 103 -5.670 -5.726 0.518 1.00 0.57 C ATOM 1573 O PHE A 103 -5.015 -5.966 -0.494 1.00 0.63 O ATOM 1574 CB PHE A 103 -5.695 -3.425 1.574 1.00 0.81 C ATOM 1575 CG PHE A 103 -4.461 -2.768 0.991 1.00 0.56 C ATOM 1576 CD1 PHE A 103 -4.513 -2.112 -0.255 1.00 1.66 C ATOM 1577 CD2 PHE A 103 -3.280 -2.717 1.752 1.00 1.82 C ATOM 1578 CE1 PHE A 103 -3.395 -1.408 -0.732 1.00 2.01 C ATOM 1579 CE2 PHE A 103 -2.155 -2.041 1.258 1.00 2.12 C ATOM 1580 CZ PHE A 103 -2.208 -1.381 0.018 1.00 1.67 C ATOM 0 H PHE A 103 -7.992 -3.933 1.919 1.00 0.52 H new ATOM 0 HA PHE A 103 -6.466 -4.004 -0.371 1.00 0.59 H new ATOM 0 HB2 PHE A 103 -6.393 -2.644 1.875 1.00 0.81 H new ATOM 0 HB3 PHE A 103 -5.407 -3.961 2.479 1.00 0.81 H new ATOM 0 HD1 PHE A 103 -5.416 -2.151 -0.846 1.00 1.66 H new ATOM 0 HD2 PHE A 103 -3.239 -3.199 2.718 1.00 1.82 H new ATOM 0 HE1 PHE A 103 -3.448 -0.887 -1.676 1.00 2.01 H new ATOM 0 HE2 PHE A 103 -1.242 -2.027 1.834 1.00 2.12 H new ATOM 0 HZ PHE A 103 -1.341 -0.856 -0.356 1.00 1.67 H new ATOM 1590 N SER A 104 -5.820 -6.608 1.511 1.00 0.55 N ATOM 1591 CA SER A 104 -5.273 -7.968 1.529 1.00 0.55 C ATOM 1592 C SER A 104 -5.679 -8.820 0.319 1.00 0.53 C ATOM 1593 O SER A 104 -4.891 -9.629 -0.170 1.00 0.79 O ATOM 1594 CB SER A 104 -5.775 -8.642 2.807 1.00 0.61 C ATOM 1595 OG SER A 104 -5.165 -9.904 2.980 1.00 1.03 O ATOM 0 H SER A 104 -6.346 -6.386 2.356 1.00 0.55 H new ATOM 0 HA SER A 104 -4.186 -7.891 1.490 1.00 0.55 H new ATOM 0 HB2 SER A 104 -5.560 -8.008 3.667 1.00 0.61 H new ATOM 0 HB3 SER A 104 -6.858 -8.759 2.761 1.00 0.61 H new ATOM 0 HG SER A 104 -5.498 -10.318 3.803 1.00 1.03 H new ATOM 1601 N THR A 105 -6.904 -8.632 -0.183 1.00 0.41 N ATOM 1602 CA THR A 105 -7.522 -9.439 -1.237 1.00 0.43 C ATOM 1603 C THR A 105 -7.642 -8.688 -2.565 1.00 0.42 C ATOM 1604 O THR A 105 -7.600 -9.311 -3.622 1.00 0.48 O ATOM 1605 CB THR A 105 -8.880 -9.966 -0.757 1.00 0.52 C ATOM 1606 OG1 THR A 105 -9.779 -8.927 -0.433 1.00 0.53 O ATOM 1607 CG2 THR A 105 -8.717 -10.863 0.471 1.00 0.54 C ATOM 0 H THR A 105 -7.514 -7.885 0.147 1.00 0.41 H new ATOM 0 HA THR A 105 -6.865 -10.286 -1.437 1.00 0.43 H new ATOM 0 HB THR A 105 -9.291 -10.537 -1.590 1.00 0.52 H new ATOM 0 HG1 THR A 105 -9.320 -8.064 -0.503 1.00 0.53 H new ATOM 0 HG21 THR A 105 -9.695 -11.223 0.791 1.00 0.54 H new ATOM 0 HG22 THR A 105 -8.082 -11.712 0.219 1.00 0.54 H new ATOM 0 HG23 THR A 105 -8.258 -10.294 1.279 1.00 0.54 H new ATOM 1615 N LEU A 106 -7.621 -7.352 -2.524 1.00 0.44 N ATOM 1616 CA LEU A 106 -7.514 -6.387 -3.627 1.00 0.51 C ATOM 1617 C LEU A 106 -6.421 -6.734 -4.648 1.00 0.56 C ATOM 1618 O LEU A 106 -6.494 -6.423 -5.835 1.00 0.85 O ATOM 1619 CB LEU A 106 -7.151 -5.036 -2.985 1.00 0.64 C ATOM 1620 CG LEU A 106 -7.629 -3.831 -3.798 1.00 0.81 C ATOM 1621 CD1 LEU A 106 -8.873 -3.271 -3.114 1.00 2.96 C ATOM 1622 CD2 LEU A 106 -6.550 -2.757 -3.915 1.00 2.58 C ATOM 0 H LEU A 106 -7.685 -6.869 -1.628 1.00 0.44 H new ATOM 0 HA LEU A 106 -8.459 -6.382 -4.170 1.00 0.51 H new ATOM 0 HB2 LEU A 106 -7.586 -4.988 -1.987 1.00 0.64 H new ATOM 0 HB3 LEU A 106 -6.069 -4.978 -2.864 1.00 0.64 H new ATOM 0 HG LEU A 106 -7.859 -4.150 -4.815 1.00 0.81 H new ATOM 0 HD11 LEU A 106 -9.238 -2.409 -3.672 1.00 2.96 H new ATOM 0 HD12 LEU A 106 -9.647 -4.037 -3.083 1.00 2.96 H new ATOM 0 HD13 LEU A 106 -8.623 -2.966 -2.098 1.00 2.96 H new ATOM 0 HD21 LEU A 106 -6.932 -1.920 -4.500 1.00 2.58 H new ATOM 0 HD22 LEU A 106 -6.274 -2.408 -2.920 1.00 2.58 H new ATOM 0 HD23 LEU A 106 -5.673 -3.175 -4.409 1.00 2.58 H new ATOM 1634 N VAL A 107 -5.363 -7.356 -4.136 1.00 0.43 N ATOM 1635 CA VAL A 107 -4.127 -7.707 -4.828 1.00 0.54 C ATOM 1636 C VAL A 107 -4.164 -9.130 -5.402 1.00 0.68 C ATOM 1637 O VAL A 107 -3.432 -9.446 -6.337 1.00 0.94 O ATOM 1638 CB VAL A 107 -2.976 -7.563 -3.824 1.00 0.45 C ATOM 1639 CG1 VAL A 107 -2.977 -6.220 -3.067 1.00 0.82 C ATOM 1640 CG2 VAL A 107 -2.984 -8.731 -2.837 1.00 0.67 C ATOM 0 H VAL A 107 -5.346 -7.648 -3.159 1.00 0.43 H new ATOM 0 HA VAL A 107 -3.991 -7.039 -5.678 1.00 0.54 H new ATOM 0 HB VAL A 107 -2.057 -7.579 -4.410 1.00 0.45 H new ATOM 0 HG11 VAL A 107 -2.135 -6.191 -2.376 1.00 0.82 H new ATOM 0 HG12 VAL A 107 -2.889 -5.400 -3.780 1.00 0.82 H new ATOM 0 HG13 VAL A 107 -3.908 -6.117 -2.509 1.00 0.82 H new ATOM 0 HG21 VAL A 107 -2.162 -8.616 -2.130 1.00 0.67 H new ATOM 0 HG22 VAL A 107 -3.930 -8.743 -2.295 1.00 0.67 H new ATOM 0 HG23 VAL A 107 -2.866 -9.668 -3.381 1.00 0.67 H new ATOM 1650 N ALA A 108 -5.033 -9.979 -4.845 1.00 0.59 N ATOM 1651 CA ALA A 108 -5.432 -11.284 -5.367 1.00 0.79 C ATOM 1652 C ALA A 108 -6.455 -11.098 -6.497 1.00 0.97 C ATOM 1653 O ALA A 108 -6.296 -11.683 -7.564 1.00 1.31 O ATOM 1654 CB ALA A 108 -5.986 -12.140 -4.216 1.00 0.79 C ATOM 0 H ALA A 108 -5.502 -9.758 -3.967 1.00 0.59 H new ATOM 0 HA ALA A 108 -4.573 -11.806 -5.789 1.00 0.79 H new ATOM 0 HB1 ALA A 108 -6.286 -13.115 -4.599 1.00 0.79 H new ATOM 0 HB2 ALA A 108 -5.216 -12.270 -3.456 1.00 0.79 H new ATOM 0 HB3 ALA A 108 -6.850 -11.642 -3.776 1.00 0.79 H new ATOM 1660 N GLU A 109 -7.401 -10.172 -6.296 1.00 0.89 N ATOM 1661 CA GLU A 109 -8.213 -9.518 -7.327 1.00 1.27 C ATOM 1662 C GLU A 109 -7.376 -8.757 -8.372 1.00 1.64 C ATOM 1663 O GLU A 109 -7.909 -8.386 -9.416 1.00 2.18 O ATOM 1664 CB GLU A 109 -9.177 -8.535 -6.636 1.00 1.45 C ATOM 1665 CG GLU A 109 -10.480 -9.198 -6.181 1.00 1.32 C ATOM 1666 CD GLU A 109 -11.468 -9.277 -7.349 1.00 1.79 C ATOM 1667 OE1 GLU A 109 -12.027 -8.209 -7.689 1.00 2.43 O ATOM 1668 OE2 GLU A 109 -11.620 -10.390 -7.901 1.00 2.49 O ATOM 0 H GLU A 109 -7.632 -9.842 -5.359 1.00 0.89 H new ATOM 0 HA GLU A 109 -8.750 -10.299 -7.866 1.00 1.27 H new ATOM 0 HB2 GLU A 109 -8.680 -8.093 -5.773 1.00 1.45 H new ATOM 0 HB3 GLU A 109 -9.410 -7.720 -7.322 1.00 1.45 H new ATOM 0 HG2 GLU A 109 -10.274 -10.199 -5.801 1.00 1.32 H new ATOM 0 HG3 GLU A 109 -10.919 -8.629 -5.361 1.00 1.32 H new ATOM 1675 N SER A 110 -6.075 -8.547 -8.110 1.00 1.45 N ATOM 1676 CA SER A 110 -5.051 -8.107 -9.060 1.00 1.70 C ATOM 1677 C SER A 110 -5.547 -7.192 -10.179 1.00 2.12 C ATOM 1678 O SER A 110 -4.977 -6.120 -10.382 1.00 2.47 O ATOM 1679 CB SER A 110 -4.360 -9.343 -9.651 1.00 1.76 C ATOM 1680 OG SER A 110 -5.156 -9.972 -10.626 1.00 2.08 O ATOM 0 H SER A 110 -5.693 -8.689 -7.175 1.00 1.45 H new ATOM 0 HA SER A 110 -4.355 -7.491 -8.491 1.00 1.70 H new ATOM 0 HB2 SER A 110 -3.408 -9.050 -10.093 1.00 1.76 H new ATOM 0 HB3 SER A 110 -4.136 -10.051 -8.853 1.00 1.76 H new ATOM 0 HG SER A 110 -4.683 -10.753 -10.981 1.00 2.08 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -14.135 0.369 1.977 1.00 0.61 CA HETATM 1688 CA CA A 112 -6.200 8.128 7.238 1.00 0.59 CA