USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 581 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 70 HIS : no HD1:sc= 1.1 K(o=1.1,f=-4.1!) USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.0119 USER MOD Set 2.1: A 28 MET CE :methyl -155:sc= -0.426 (180deg=-2.2!) USER MOD Set 2.2: A 36 MET CE :methyl -160:sc= -0.0585 (180deg=-0.523) USER MOD Set 3.1: A 3 MET CE :methyl 128:sc= -0.185 (180deg=-0.849) USER MOD Set 3.2: A 9 THR OG1 : rot -102:sc= 0.0537 USER MOD Set 3.3: A 19 HIS : no HD1:sc= 1.86 K(o=1.7,f=-18!) USER MOD Single : A 1 VAL N :NH3+ -114:sc= -0.197 (180deg=-0.333) USER MOD Single : A 4 SER OG : rot 116:sc= 1.18 USER MOD Single : A 5 ASN : amide:sc= -6.98! K(o=-7!,f=-1.4) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -71:sc= -3.12! USER MOD Single : A 13 GLN : amide:sc= 0.196 X(o=0.2,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0502 USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= 1.2 (180deg=0.782) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.1) USER MOD Single : A 26 MET CE :methyl 162:sc= -2.09 (180deg=-3.1!) USER MOD Single : A 30 ASN : amide:sc= -5.54! C(o=-5.5!,f=-12!) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.15) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl -163:sc= -0.217 (180deg=-0.873) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 158:sc= -0.312 (180deg=-1.12) USER MOD Single : A 46 THR OG1 : rot 170:sc= 0.901 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.15) USER MOD Single : A 54 MET CE :methyl -177:sc= -0.81 (180deg=-0.961) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.064) USER MOD Single : A 68 LYS NZ :NH3+ -141:sc= 1.27 (180deg=0.898) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.500 -2.370 6.305 1.00 2.42 N ATOM 2 CA VAL A 1 11.630 -0.906 6.493 1.00 1.98 C ATOM 3 C VAL A 1 11.802 -0.585 7.976 1.00 1.83 C ATOM 4 O VAL A 1 11.769 -1.486 8.811 1.00 2.26 O ATOM 5 CB VAL A 1 10.406 -0.140 5.932 1.00 1.77 C ATOM 6 CG1 VAL A 1 10.288 -0.334 4.428 1.00 2.46 C ATOM 7 CG2 VAL A 1 9.118 -0.576 6.620 1.00 1.89 C ATOM 0 H1 VAL A 1 12.323 -2.727 5.779 1.00 2.42 H new ATOM 0 H2 VAL A 1 11.454 -2.836 7.233 1.00 2.42 H new ATOM 0 H3 VAL A 1 10.632 -2.576 5.770 1.00 2.42 H new ATOM 0 HA VAL A 1 12.510 -0.580 5.939 1.00 1.98 H new ATOM 0 HB VAL A 1 10.561 0.919 6.136 1.00 1.77 H new ATOM 0 HG11 VAL A 1 9.421 0.213 4.057 1.00 2.46 H new ATOM 0 HG12 VAL A 1 11.189 0.040 3.941 1.00 2.46 H new ATOM 0 HG13 VAL A 1 10.169 -1.395 4.206 1.00 2.46 H new ATOM 0 HG21 VAL A 1 8.277 -0.020 6.204 1.00 1.89 H new ATOM 0 HG22 VAL A 1 8.963 -1.643 6.459 1.00 1.89 H new ATOM 0 HG23 VAL A 1 9.191 -0.377 7.689 1.00 1.89 H new ATOM 19 N ASP A 2 11.978 0.694 8.305 1.00 1.77 N ATOM 20 CA ASP A 2 12.189 1.100 9.697 1.00 1.63 C ATOM 21 C ASP A 2 10.861 1.434 10.354 1.00 1.22 C ATOM 22 O ASP A 2 10.749 1.578 11.572 1.00 1.60 O ATOM 23 CB ASP A 2 13.161 2.285 9.761 1.00 2.00 C ATOM 24 CG ASP A 2 13.600 2.623 11.174 1.00 2.77 C ATOM 25 OD1 ASP A 2 14.418 1.874 11.745 1.00 3.48 O ATOM 26 OD2 ASP A 2 13.152 3.656 11.711 1.00 3.11 O ATOM 0 H ASP A 2 11.979 1.462 7.634 1.00 1.77 H new ATOM 0 HA ASP A 2 12.635 0.272 10.248 1.00 1.63 H new ATOM 0 HB2 ASP A 2 14.041 2.058 9.159 1.00 2.00 H new ATOM 0 HB3 ASP A 2 12.687 3.160 9.316 1.00 2.00 H new ATOM 31 N MET A 3 9.862 1.537 9.501 1.00 0.96 N ATOM 32 CA MET A 3 8.464 1.730 9.881 1.00 0.96 C ATOM 33 C MET A 3 8.213 3.029 10.656 1.00 0.91 C ATOM 34 O MET A 3 7.092 3.277 11.088 1.00 1.26 O ATOM 35 CB MET A 3 7.956 0.542 10.701 1.00 1.43 C ATOM 36 CG MET A 3 8.192 -0.807 10.040 1.00 1.59 C ATOM 37 SD MET A 3 7.189 -2.118 10.760 1.00 2.01 S ATOM 38 CE MET A 3 5.557 -1.598 10.239 1.00 2.17 C ATOM 0 H MET A 3 9.998 1.488 8.491 1.00 0.96 H new ATOM 0 HA MET A 3 7.911 1.803 8.944 1.00 0.96 H new ATOM 0 HB2 MET A 3 8.445 0.549 11.675 1.00 1.43 H new ATOM 0 HB3 MET A 3 6.888 0.666 10.880 1.00 1.43 H new ATOM 0 HG2 MET A 3 7.971 -0.729 8.975 1.00 1.59 H new ATOM 0 HG3 MET A 3 9.246 -1.071 10.128 1.00 1.59 H new ATOM 0 HE1 MET A 3 5.051 -2.427 9.745 1.00 2.17 H new ATOM 0 HE2 MET A 3 4.979 -1.288 11.109 1.00 2.17 H new ATOM 0 HE3 MET A 3 5.646 -0.762 9.545 1.00 2.17 H new ATOM 48 N SER A 4 9.229 3.864 10.810 1.00 0.78 N ATOM 49 CA SER A 4 9.083 5.089 11.589 1.00 0.78 C ATOM 50 C SER A 4 8.489 6.199 10.738 1.00 0.72 C ATOM 51 O SER A 4 7.833 7.108 11.243 1.00 0.81 O ATOM 52 CB SER A 4 10.435 5.512 12.153 1.00 0.86 C ATOM 53 OG SER A 4 11.012 4.461 12.908 1.00 1.47 O ATOM 0 H SER A 4 10.157 3.720 10.411 1.00 0.78 H new ATOM 0 HA SER A 4 8.401 4.896 12.417 1.00 0.78 H new ATOM 0 HB2 SER A 4 11.103 5.791 11.339 1.00 0.86 H new ATOM 0 HB3 SER A 4 10.313 6.394 12.782 1.00 0.86 H new ATOM 0 HG SER A 4 11.842 4.167 12.478 1.00 1.47 H new ATOM 59 N ASN A 5 8.723 6.117 9.439 1.00 0.64 N ATOM 60 CA ASN A 5 8.137 7.057 8.498 1.00 0.64 C ATOM 61 C ASN A 5 6.983 6.403 7.761 1.00 0.57 C ATOM 62 O ASN A 5 6.427 6.952 6.819 1.00 0.68 O ATOM 63 CB ASN A 5 9.183 7.558 7.499 1.00 0.69 C ATOM 64 CG ASN A 5 9.990 6.441 6.854 1.00 1.19 C ATOM 65 OD1 ASN A 5 11.167 6.615 6.550 1.00 1.89 O ATOM 66 ND2 ASN A 5 9.371 5.293 6.625 1.00 1.24 N ATOM 0 H ASN A 5 9.317 5.407 9.011 1.00 0.64 H new ATOM 0 HA ASN A 5 7.765 7.914 9.059 1.00 0.64 H new ATOM 0 HB2 ASN A 5 8.683 8.132 6.719 1.00 0.69 H new ATOM 0 HB3 ASN A 5 9.864 8.240 8.009 1.00 0.69 H new ATOM 0 HD21 ASN A 5 9.873 4.522 6.184 1.00 1.24 H new ATOM 0 HD22 ASN A 5 8.392 5.180 6.889 1.00 1.24 H new ATOM 73 N VAL A 6 6.663 5.203 8.186 1.00 0.44 N ATOM 74 CA VAL A 6 5.610 4.431 7.571 1.00 0.40 C ATOM 75 C VAL A 6 4.360 4.480 8.439 1.00 0.40 C ATOM 76 O VAL A 6 4.375 4.019 9.582 1.00 0.47 O ATOM 77 CB VAL A 6 6.053 2.967 7.365 1.00 0.43 C ATOM 78 CG1 VAL A 6 4.891 2.127 6.875 1.00 0.98 C ATOM 79 CG2 VAL A 6 7.211 2.886 6.380 1.00 1.25 C ATOM 0 H VAL A 6 7.125 4.736 8.966 1.00 0.44 H new ATOM 0 HA VAL A 6 5.389 4.863 6.595 1.00 0.40 H new ATOM 0 HB VAL A 6 6.389 2.576 8.325 1.00 0.43 H new ATOM 0 HG11 VAL A 6 5.220 1.097 6.735 1.00 0.98 H new ATOM 0 HG12 VAL A 6 4.087 2.154 7.610 1.00 0.98 H new ATOM 0 HG13 VAL A 6 4.529 2.525 5.927 1.00 0.98 H new ATOM 0 HG21 VAL A 6 7.506 1.845 6.250 1.00 1.25 H new ATOM 0 HG22 VAL A 6 6.901 3.297 5.419 1.00 1.25 H new ATOM 0 HG23 VAL A 6 8.056 3.458 6.764 1.00 1.25 H new ATOM 89 N VAL A 7 3.290 5.056 7.902 1.00 0.38 N ATOM 90 CA VAL A 7 2.047 5.173 8.660 1.00 0.41 C ATOM 91 C VAL A 7 1.228 3.888 8.588 1.00 0.37 C ATOM 92 O VAL A 7 0.368 3.644 9.432 1.00 0.42 O ATOM 93 CB VAL A 7 1.182 6.380 8.211 1.00 0.52 C ATOM 94 CG1 VAL A 7 1.861 7.684 8.597 1.00 0.94 C ATOM 95 CG2 VAL A 7 0.904 6.357 6.712 1.00 1.03 C ATOM 0 H VAL A 7 3.256 5.444 6.959 1.00 0.38 H new ATOM 0 HA VAL A 7 2.341 5.348 9.695 1.00 0.41 H new ATOM 0 HB VAL A 7 0.223 6.304 8.724 1.00 0.52 H new ATOM 0 HG11 VAL A 7 1.245 8.524 8.277 1.00 0.94 H new ATOM 0 HG12 VAL A 7 1.990 7.721 9.679 1.00 0.94 H new ATOM 0 HG13 VAL A 7 2.836 7.744 8.113 1.00 0.94 H new ATOM 0 HG21 VAL A 7 0.295 7.220 6.442 1.00 1.03 H new ATOM 0 HG22 VAL A 7 1.847 6.393 6.166 1.00 1.03 H new ATOM 0 HG23 VAL A 7 0.371 5.442 6.455 1.00 1.03 H new ATOM 105 N LYS A 8 1.509 3.064 7.582 1.00 0.34 N ATOM 106 CA LYS A 8 0.874 1.758 7.458 1.00 0.35 C ATOM 107 C LYS A 8 1.570 0.913 6.408 1.00 0.31 C ATOM 108 O LYS A 8 1.793 1.349 5.277 1.00 0.35 O ATOM 109 CB LYS A 8 -0.613 1.894 7.119 1.00 0.44 C ATOM 110 CG LYS A 8 -1.297 0.571 6.793 1.00 0.50 C ATOM 111 CD LYS A 8 -1.347 -0.369 7.991 1.00 0.57 C ATOM 112 CE LYS A 8 -2.045 -1.668 7.624 1.00 1.01 C ATOM 113 NZ LYS A 8 -1.952 -2.693 8.698 1.00 1.41 N ATOM 0 H LYS A 8 2.174 3.280 6.840 1.00 0.34 H new ATOM 0 HA LYS A 8 0.963 1.260 8.423 1.00 0.35 H new ATOM 0 HB2 LYS A 8 -1.126 2.359 7.961 1.00 0.44 H new ATOM 0 HB3 LYS A 8 -0.721 2.567 6.268 1.00 0.44 H new ATOM 0 HG2 LYS A 8 -2.311 0.766 6.445 1.00 0.50 H new ATOM 0 HG3 LYS A 8 -0.768 0.084 5.974 1.00 0.50 H new ATOM 0 HD2 LYS A 8 -0.335 -0.579 8.337 1.00 0.57 H new ATOM 0 HD3 LYS A 8 -1.873 0.112 8.816 1.00 0.57 H new ATOM 0 HE2 LYS A 8 -3.095 -1.464 7.412 1.00 1.01 H new ATOM 0 HE3 LYS A 8 -1.606 -2.066 6.709 1.00 1.01 H new ATOM 0 HZ1 LYS A 8 -2.444 -3.558 8.396 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -0.952 -2.911 8.885 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -2.395 -2.328 9.565 1.00 1.41 H new ATOM 127 N THR A 9 1.923 -0.289 6.807 1.00 0.33 N ATOM 128 CA THR A 9 2.475 -1.273 5.902 1.00 0.32 C ATOM 129 C THR A 9 1.397 -2.282 5.524 1.00 0.35 C ATOM 130 O THR A 9 0.609 -2.715 6.364 1.00 0.39 O ATOM 131 CB THR A 9 3.671 -1.997 6.543 1.00 0.33 C ATOM 132 OG1 THR A 9 4.791 -1.111 6.667 1.00 0.40 O ATOM 133 CG2 THR A 9 4.072 -3.244 5.762 1.00 0.33 C ATOM 0 H THR A 9 1.835 -0.612 7.770 1.00 0.33 H new ATOM 0 HA THR A 9 2.826 -0.762 5.005 1.00 0.32 H new ATOM 0 HB THR A 9 3.357 -2.317 7.536 1.00 0.33 H new ATOM 0 HG1 THR A 9 5.439 -1.301 5.956 1.00 0.40 H new ATOM 0 HG21 THR A 9 4.920 -3.723 6.251 1.00 0.33 H new ATOM 0 HG22 THR A 9 3.233 -3.939 5.730 1.00 0.33 H new ATOM 0 HG23 THR A 9 4.350 -2.963 4.746 1.00 0.33 H new ATOM 141 N TYR A 10 1.369 -2.645 4.259 1.00 0.37 N ATOM 142 CA TYR A 10 0.411 -3.597 3.757 1.00 0.42 C ATOM 143 C TYR A 10 1.081 -4.863 3.309 1.00 0.38 C ATOM 144 O TYR A 10 2.039 -4.850 2.538 1.00 0.35 O ATOM 145 CB TYR A 10 -0.424 -2.996 2.633 1.00 0.47 C ATOM 146 CG TYR A 10 -1.606 -2.239 3.166 1.00 0.60 C ATOM 147 CD1 TYR A 10 -2.645 -2.880 3.817 1.00 0.70 C ATOM 148 CD2 TYR A 10 -1.683 -0.870 2.984 1.00 0.68 C ATOM 149 CE1 TYR A 10 -3.736 -2.167 4.281 1.00 0.84 C ATOM 150 CE2 TYR A 10 -2.763 -0.151 3.436 1.00 0.82 C ATOM 151 CZ TYR A 10 -3.787 -0.886 4.211 1.00 0.91 C ATOM 152 OH TYR A 10 -4.876 -0.089 4.535 1.00 1.06 O ATOM 0 H TYR A 10 2.011 -2.286 3.553 1.00 0.37 H new ATOM 0 HA TYR A 10 -0.261 -3.849 4.577 1.00 0.42 H new ATOM 0 HB2 TYR A 10 0.197 -2.329 2.035 1.00 0.47 H new ATOM 0 HB3 TYR A 10 -0.768 -3.790 1.970 1.00 0.47 H new ATOM 0 HD1 TYR A 10 -2.604 -3.949 3.965 1.00 0.70 H new ATOM 0 HD2 TYR A 10 -0.879 -0.357 2.477 1.00 0.68 H new ATOM 0 HE1 TYR A 10 -4.568 -2.703 4.714 1.00 0.84 H new ATOM 0 HE2 TYR A 10 -2.860 0.906 3.234 1.00 0.82 H new ATOM 0 HH TYR A 10 -5.577 -0.202 3.859 1.00 1.06 H new ATOM 162 N ASP A 11 0.562 -5.948 3.818 1.00 0.42 N ATOM 163 CA ASP A 11 1.054 -7.260 3.477 1.00 0.42 C ATOM 164 C ASP A 11 0.200 -7.811 2.356 1.00 0.39 C ATOM 165 O ASP A 11 -0.994 -8.061 2.539 1.00 0.40 O ATOM 166 CB ASP A 11 0.986 -8.195 4.685 1.00 0.52 C ATOM 167 CG ASP A 11 1.944 -7.817 5.800 1.00 1.25 C ATOM 168 OD1 ASP A 11 1.679 -6.815 6.496 1.00 1.69 O ATOM 169 OD2 ASP A 11 2.980 -8.494 5.962 1.00 1.94 O ATOM 0 H ASP A 11 -0.213 -5.950 4.481 1.00 0.42 H new ATOM 0 HA ASP A 11 2.096 -7.188 3.164 1.00 0.42 H new ATOM 0 HB2 ASP A 11 -0.031 -8.196 5.076 1.00 0.52 H new ATOM 0 HB3 ASP A 11 1.204 -9.212 4.359 1.00 0.52 H new ATOM 174 N LEU A 12 0.808 -8.005 1.208 1.00 0.38 N ATOM 175 CA LEU A 12 0.076 -8.482 0.046 1.00 0.41 C ATOM 176 C LEU A 12 -0.092 -9.984 0.151 1.00 0.54 C ATOM 177 O LEU A 12 0.753 -10.661 0.730 1.00 1.50 O ATOM 178 CB LEU A 12 0.772 -8.117 -1.268 1.00 0.40 C ATOM 179 CG LEU A 12 0.942 -6.614 -1.532 1.00 0.46 C ATOM 180 CD1 LEU A 12 1.158 -6.347 -3.015 1.00 1.04 C ATOM 181 CD2 LEU A 12 -0.259 -5.828 -1.024 1.00 1.04 C ATOM 0 H LEU A 12 1.802 -7.842 1.049 1.00 0.38 H new ATOM 0 HA LEU A 12 -0.898 -7.993 0.034 1.00 0.41 H new ATOM 0 HB2 LEU A 12 1.757 -8.583 -1.279 1.00 0.40 H new ATOM 0 HB3 LEU A 12 0.205 -8.551 -2.092 1.00 0.40 H new ATOM 0 HG LEU A 12 1.824 -6.280 -0.986 1.00 0.46 H new ATOM 0 HD11 LEU A 12 1.276 -5.276 -3.178 1.00 1.04 H new ATOM 0 HD12 LEU A 12 2.055 -6.866 -3.351 1.00 1.04 H new ATOM 0 HD13 LEU A 12 0.298 -6.707 -3.579 1.00 1.04 H new ATOM 0 HD21 LEU A 12 -0.111 -4.767 -1.225 1.00 1.04 H new ATOM 0 HD22 LEU A 12 -1.160 -6.171 -1.533 1.00 1.04 H new ATOM 0 HD23 LEU A 12 -0.367 -5.983 0.050 1.00 1.04 H new ATOM 193 N GLN A 13 -1.179 -10.508 -0.397 1.00 0.65 N ATOM 194 CA GLN A 13 -1.507 -11.922 -0.242 1.00 0.62 C ATOM 195 C GLN A 13 -0.511 -12.826 -0.974 1.00 0.62 C ATOM 196 O GLN A 13 -0.540 -14.047 -0.834 1.00 0.74 O ATOM 197 CB GLN A 13 -2.927 -12.169 -0.738 1.00 0.69 C ATOM 198 CG GLN A 13 -3.634 -13.266 0.028 1.00 0.89 C ATOM 199 CD GLN A 13 -5.122 -13.304 -0.250 1.00 1.08 C ATOM 200 OE1 GLN A 13 -5.578 -14.000 -1.157 1.00 1.68 O ATOM 201 NE2 GLN A 13 -5.887 -12.541 0.514 1.00 1.61 N ATOM 0 H GLN A 13 -1.850 -9.977 -0.953 1.00 0.65 H new ATOM 0 HA GLN A 13 -1.441 -12.174 0.817 1.00 0.62 H new ATOM 0 HB2 GLN A 13 -3.501 -11.246 -0.655 1.00 0.69 H new ATOM 0 HB3 GLN A 13 -2.897 -12.432 -1.795 1.00 0.69 H new ATOM 0 HG2 GLN A 13 -3.194 -14.228 -0.234 1.00 0.89 H new ATOM 0 HG3 GLN A 13 -3.471 -13.121 1.096 1.00 0.89 H new ATOM 0 HE21 GLN A 13 -5.468 -11.979 1.255 1.00 1.61 H new ATOM 0 HE22 GLN A 13 -6.895 -12.515 0.362 1.00 1.61 H new ATOM 210 N ASP A 14 0.371 -12.212 -1.745 1.00 0.55 N ATOM 211 CA ASP A 14 1.413 -12.937 -2.462 1.00 0.64 C ATOM 212 C ASP A 14 2.692 -12.959 -1.635 1.00 0.54 C ATOM 213 O ASP A 14 3.548 -13.828 -1.800 1.00 0.70 O ATOM 214 CB ASP A 14 1.672 -12.289 -3.826 1.00 0.80 C ATOM 215 CG ASP A 14 2.838 -12.914 -4.572 1.00 1.46 C ATOM 216 OD1 ASP A 14 2.757 -14.111 -4.930 1.00 1.98 O ATOM 217 OD2 ASP A 14 3.842 -12.212 -4.807 1.00 2.11 O ATOM 0 H ASP A 14 0.387 -11.203 -1.893 1.00 0.55 H new ATOM 0 HA ASP A 14 1.080 -13.962 -2.625 1.00 0.64 H new ATOM 0 HB2 ASP A 14 0.773 -12.370 -4.437 1.00 0.80 H new ATOM 0 HB3 ASP A 14 1.867 -11.226 -3.685 1.00 0.80 H new ATOM 222 N GLY A 15 2.781 -12.018 -0.712 1.00 0.55 N ATOM 223 CA GLY A 15 3.953 -11.906 0.126 1.00 0.73 C ATOM 224 C GLY A 15 4.614 -10.554 0.018 1.00 0.75 C ATOM 225 O GLY A 15 5.471 -10.206 0.829 1.00 1.28 O ATOM 0 H GLY A 15 2.056 -11.324 -0.527 1.00 0.55 H new ATOM 0 HA2 GLY A 15 3.672 -12.088 1.163 1.00 0.73 H new ATOM 0 HA3 GLY A 15 4.669 -12.680 -0.151 1.00 0.73 H new ATOM 229 N SER A 16 4.236 -9.802 -0.998 1.00 0.37 N ATOM 230 CA SER A 16 4.797 -8.487 -1.236 1.00 0.35 C ATOM 231 C SER A 16 4.406 -7.522 -0.120 1.00 0.29 C ATOM 232 O SER A 16 3.379 -7.703 0.531 1.00 0.33 O ATOM 233 CB SER A 16 4.285 -7.965 -2.570 1.00 0.44 C ATOM 234 OG SER A 16 4.085 -9.030 -3.482 1.00 1.07 O ATOM 0 H SER A 16 3.533 -10.085 -1.680 1.00 0.37 H new ATOM 0 HA SER A 16 5.884 -8.563 -1.257 1.00 0.35 H new ATOM 0 HB2 SER A 16 3.349 -7.427 -2.420 1.00 0.44 H new ATOM 0 HB3 SER A 16 4.998 -7.253 -2.985 1.00 0.44 H new ATOM 0 HG SER A 16 3.754 -8.674 -4.333 1.00 1.07 H new ATOM 240 N LYS A 17 5.229 -6.514 0.109 1.00 0.26 N ATOM 241 CA LYS A 17 4.912 -5.497 1.095 1.00 0.28 C ATOM 242 C LYS A 17 4.679 -4.155 0.429 1.00 0.30 C ATOM 243 O LYS A 17 5.329 -3.813 -0.555 1.00 0.43 O ATOM 244 CB LYS A 17 6.032 -5.332 2.122 1.00 0.31 C ATOM 245 CG LYS A 17 6.404 -6.594 2.869 1.00 0.71 C ATOM 246 CD LYS A 17 7.268 -6.255 4.075 1.00 0.66 C ATOM 247 CE LYS A 17 8.223 -7.380 4.430 1.00 0.84 C ATOM 248 NZ LYS A 17 9.250 -7.578 3.376 1.00 1.84 N ATOM 0 H LYS A 17 6.118 -6.378 -0.372 1.00 0.26 H new ATOM 0 HA LYS A 17 4.006 -5.829 1.602 1.00 0.28 H new ATOM 0 HB2 LYS A 17 6.919 -4.954 1.613 1.00 0.31 H new ATOM 0 HB3 LYS A 17 5.732 -4.574 2.846 1.00 0.31 H new ATOM 0 HG2 LYS A 17 5.502 -7.113 3.193 1.00 0.71 H new ATOM 0 HG3 LYS A 17 6.941 -7.273 2.207 1.00 0.71 H new ATOM 0 HD2 LYS A 17 7.837 -5.349 3.869 1.00 0.66 H new ATOM 0 HD3 LYS A 17 6.627 -6.041 4.930 1.00 0.66 H new ATOM 0 HE2 LYS A 17 8.712 -7.157 5.378 1.00 0.84 H new ATOM 0 HE3 LYS A 17 7.662 -8.304 4.570 1.00 0.84 H new ATOM 0 HZ1 LYS A 17 10.141 -7.887 3.814 1.00 1.84 H new ATOM 0 HZ2 LYS A 17 8.924 -8.303 2.705 1.00 1.84 H new ATOM 0 HZ3 LYS A 17 9.405 -6.683 2.870 1.00 1.84 H new ATOM 262 N VAL A 18 3.739 -3.411 0.967 1.00 0.28 N ATOM 263 CA VAL A 18 3.514 -2.041 0.561 1.00 0.30 C ATOM 264 C VAL A 18 3.553 -1.178 1.803 1.00 0.31 C ATOM 265 O VAL A 18 3.253 -1.653 2.884 1.00 0.41 O ATOM 266 CB VAL A 18 2.147 -1.885 -0.146 1.00 0.35 C ATOM 267 CG1 VAL A 18 1.886 -0.438 -0.550 1.00 0.39 C ATOM 268 CG2 VAL A 18 2.066 -2.804 -1.355 1.00 0.36 C ATOM 0 H VAL A 18 3.108 -3.738 1.699 1.00 0.28 H new ATOM 0 HA VAL A 18 4.285 -1.738 -0.147 1.00 0.30 H new ATOM 0 HB VAL A 18 1.371 -2.172 0.564 1.00 0.35 H new ATOM 0 HG11 VAL A 18 0.917 -0.367 -1.044 1.00 0.39 H new ATOM 0 HG12 VAL A 18 1.888 0.194 0.338 1.00 0.39 H new ATOM 0 HG13 VAL A 18 2.667 -0.105 -1.234 1.00 0.39 H new ATOM 0 HG21 VAL A 18 1.098 -2.682 -1.841 1.00 0.36 H new ATOM 0 HG22 VAL A 18 2.859 -2.551 -2.058 1.00 0.36 H new ATOM 0 HG23 VAL A 18 2.183 -3.839 -1.034 1.00 0.36 H new ATOM 278 N HIS A 19 3.976 0.055 1.683 1.00 0.29 N ATOM 279 CA HIS A 19 3.934 0.952 2.820 1.00 0.29 C ATOM 280 C HIS A 19 3.482 2.308 2.365 1.00 0.30 C ATOM 281 O HIS A 19 4.022 2.855 1.407 1.00 0.34 O ATOM 282 CB HIS A 19 5.300 1.097 3.506 1.00 0.32 C ATOM 283 CG HIS A 19 6.146 -0.130 3.469 1.00 0.32 C ATOM 284 ND1 HIS A 19 6.112 -1.122 4.414 1.00 0.67 N ATOM 285 CD2 HIS A 19 7.046 -0.511 2.559 1.00 0.37 C ATOM 286 CE1 HIS A 19 6.964 -2.074 4.080 1.00 0.66 C ATOM 287 NE2 HIS A 19 7.546 -1.726 2.954 1.00 0.41 N ATOM 0 H HIS A 19 4.349 0.461 0.825 1.00 0.29 H new ATOM 0 HA HIS A 19 3.239 0.525 3.542 1.00 0.29 H new ATOM 0 HB2 HIS A 19 5.845 1.913 3.032 1.00 0.32 H new ATOM 0 HB3 HIS A 19 5.141 1.382 4.546 1.00 0.32 H new ATOM 0 HD2 HIS A 19 7.329 0.038 1.673 1.00 0.37 H new ATOM 0 HE1 HIS A 19 7.150 -2.981 4.636 1.00 0.66 H new ATOM 0 HE2 HIS A 19 8.252 -2.269 2.457 1.00 0.41 H new ATOM 296 N VAL A 20 2.493 2.838 3.041 1.00 0.31 N ATOM 297 CA VAL A 20 2.099 4.201 2.818 1.00 0.33 C ATOM 298 C VAL A 20 2.912 5.043 3.775 1.00 0.32 C ATOM 299 O VAL A 20 2.843 4.866 4.993 1.00 0.33 O ATOM 300 CB VAL A 20 0.589 4.430 3.030 1.00 0.40 C ATOM 301 CG1 VAL A 20 0.206 5.859 2.666 1.00 0.56 C ATOM 302 CG2 VAL A 20 -0.217 3.432 2.210 1.00 0.81 C ATOM 0 H VAL A 20 1.949 2.345 3.749 1.00 0.31 H new ATOM 0 HA VAL A 20 2.287 4.474 1.780 1.00 0.33 H new ATOM 0 HB VAL A 20 0.360 4.276 4.084 1.00 0.40 H new ATOM 0 HG11 VAL A 20 -0.863 6.000 2.823 1.00 0.56 H new ATOM 0 HG12 VAL A 20 0.760 6.556 3.295 1.00 0.56 H new ATOM 0 HG13 VAL A 20 0.447 6.045 1.619 1.00 0.56 H new ATOM 0 HG21 VAL A 20 -1.281 3.605 2.369 1.00 0.81 H new ATOM 0 HG22 VAL A 20 0.017 3.557 1.153 1.00 0.81 H new ATOM 0 HG23 VAL A 20 0.036 2.418 2.520 1.00 0.81 H new ATOM 312 N PHE A 21 3.735 5.896 3.224 1.00 0.34 N ATOM 313 CA PHE A 21 4.667 6.658 4.011 1.00 0.37 C ATOM 314 C PHE A 21 4.014 7.924 4.536 1.00 0.39 C ATOM 315 O PHE A 21 3.070 8.443 3.942 1.00 0.40 O ATOM 316 CB PHE A 21 5.908 6.978 3.177 1.00 0.40 C ATOM 317 CG PHE A 21 6.818 5.791 2.967 1.00 0.41 C ATOM 318 CD1 PHE A 21 6.613 4.883 1.930 1.00 0.37 C ATOM 319 CD2 PHE A 21 7.891 5.587 3.818 1.00 0.58 C ATOM 320 CE1 PHE A 21 7.463 3.808 1.758 1.00 0.39 C ATOM 321 CE2 PHE A 21 8.739 4.511 3.645 1.00 0.64 C ATOM 322 CZ PHE A 21 8.524 3.622 2.615 1.00 0.51 C ATOM 0 H PHE A 21 3.778 6.081 2.222 1.00 0.34 H new ATOM 0 HA PHE A 21 4.975 6.066 4.873 1.00 0.37 H new ATOM 0 HB2 PHE A 21 5.594 7.361 2.206 1.00 0.40 H new ATOM 0 HB3 PHE A 21 6.469 7.774 3.667 1.00 0.40 H new ATOM 0 HD1 PHE A 21 5.782 5.021 1.254 1.00 0.37 H new ATOM 0 HD2 PHE A 21 8.067 6.279 4.628 1.00 0.58 H new ATOM 0 HE1 PHE A 21 7.295 3.112 0.949 1.00 0.39 H new ATOM 0 HE2 PHE A 21 9.571 4.366 4.318 1.00 0.64 H new ATOM 0 HZ PHE A 21 9.187 2.780 2.480 1.00 0.51 H new ATOM 332 N LYS A 22 4.520 8.400 5.656 1.00 0.44 N ATOM 333 CA LYS A 22 4.018 9.602 6.315 1.00 0.50 C ATOM 334 C LYS A 22 4.118 10.827 5.402 1.00 0.52 C ATOM 335 O LYS A 22 3.483 11.852 5.644 1.00 0.57 O ATOM 336 CB LYS A 22 4.834 9.842 7.581 1.00 0.61 C ATOM 337 CG LYS A 22 6.303 10.026 7.284 1.00 1.37 C ATOM 338 CD LYS A 22 7.066 10.566 8.483 1.00 1.46 C ATOM 339 CE LYS A 22 8.498 10.919 8.109 1.00 2.02 C ATOM 340 NZ LYS A 22 9.246 11.511 9.246 1.00 2.87 N ATOM 0 H LYS A 22 5.301 7.962 6.145 1.00 0.44 H new ATOM 0 HA LYS A 22 2.966 9.453 6.558 1.00 0.50 H new ATOM 0 HB2 LYS A 22 4.455 10.726 8.094 1.00 0.61 H new ATOM 0 HB3 LYS A 22 4.705 8.999 8.260 1.00 0.61 H new ATOM 0 HG2 LYS A 22 6.733 9.072 6.981 1.00 1.37 H new ATOM 0 HG3 LYS A 22 6.419 10.710 6.443 1.00 1.37 H new ATOM 0 HD2 LYS A 22 6.560 11.450 8.871 1.00 1.46 H new ATOM 0 HD3 LYS A 22 7.068 9.823 9.281 1.00 1.46 H new ATOM 0 HE2 LYS A 22 9.013 10.022 7.765 1.00 2.02 H new ATOM 0 HE3 LYS A 22 8.491 11.622 7.276 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 10.216 11.735 8.944 1.00 2.87 H new ATOM 0 HZ2 LYS A 22 8.771 12.382 9.559 1.00 2.87 H new ATOM 0 HZ3 LYS A 22 9.277 10.832 10.033 1.00 2.87 H new ATOM 354 N ASP A 23 4.918 10.699 4.356 1.00 0.54 N ATOM 355 CA ASP A 23 5.150 11.771 3.410 1.00 0.61 C ATOM 356 C ASP A 23 4.049 11.766 2.382 1.00 0.59 C ATOM 357 O ASP A 23 3.815 12.755 1.687 1.00 0.67 O ATOM 358 CB ASP A 23 6.517 11.583 2.736 1.00 0.68 C ATOM 359 CG ASP A 23 6.667 12.373 1.448 1.00 1.29 C ATOM 360 OD1 ASP A 23 7.028 13.566 1.505 1.00 1.91 O ATOM 361 OD2 ASP A 23 6.431 11.795 0.367 1.00 1.97 O ATOM 0 H ASP A 23 5.427 9.841 4.141 1.00 0.54 H new ATOM 0 HA ASP A 23 5.151 12.730 3.928 1.00 0.61 H new ATOM 0 HB2 ASP A 23 7.301 11.883 3.431 1.00 0.68 H new ATOM 0 HB3 ASP A 23 6.667 10.524 2.524 1.00 0.68 H new ATOM 366 N GLY A 24 3.323 10.665 2.341 1.00 0.53 N ATOM 367 CA GLY A 24 2.304 10.517 1.356 1.00 0.53 C ATOM 368 C GLY A 24 2.706 9.648 0.185 1.00 0.53 C ATOM 369 O GLY A 24 1.900 9.423 -0.722 1.00 0.58 O ATOM 0 H GLY A 24 3.429 9.875 2.978 1.00 0.53 H new ATOM 0 HA2 GLY A 24 1.418 10.090 1.825 1.00 0.53 H new ATOM 0 HA3 GLY A 24 2.025 11.503 0.985 1.00 0.53 H new ATOM 373 N LYS A 25 3.945 9.165 0.167 1.00 0.50 N ATOM 374 CA LYS A 25 4.368 8.242 -0.871 1.00 0.51 C ATOM 375 C LYS A 25 4.212 6.806 -0.410 1.00 0.42 C ATOM 376 O LYS A 25 3.703 6.541 0.676 1.00 0.41 O ATOM 377 CB LYS A 25 5.814 8.485 -1.267 1.00 0.62 C ATOM 378 CG LYS A 25 6.011 9.727 -2.107 1.00 0.94 C ATOM 379 CD LYS A 25 7.398 9.751 -2.715 1.00 1.49 C ATOM 380 CE LYS A 25 8.483 9.764 -1.647 1.00 1.50 C ATOM 381 NZ LYS A 25 8.561 11.073 -0.949 1.00 1.74 N ATOM 0 H LYS A 25 4.664 9.396 0.853 1.00 0.50 H new ATOM 0 HA LYS A 25 3.730 8.415 -1.738 1.00 0.51 H new ATOM 0 HB2 LYS A 25 6.420 8.567 -0.365 1.00 0.62 H new ATOM 0 HB3 LYS A 25 6.181 7.620 -1.820 1.00 0.62 H new ATOM 0 HG2 LYS A 25 5.262 9.759 -2.898 1.00 0.94 H new ATOM 0 HG3 LYS A 25 5.863 10.615 -1.492 1.00 0.94 H new ATOM 0 HD2 LYS A 25 7.529 8.879 -3.356 1.00 1.49 H new ATOM 0 HD3 LYS A 25 7.502 10.631 -3.349 1.00 1.49 H new ATOM 0 HE2 LYS A 25 8.285 8.977 -0.920 1.00 1.50 H new ATOM 0 HE3 LYS A 25 9.446 9.540 -2.106 1.00 1.50 H new ATOM 0 HZ1 LYS A 25 9.300 11.034 -0.219 1.00 1.74 H new ATOM 0 HZ2 LYS A 25 8.792 11.819 -1.636 1.00 1.74 H new ATOM 0 HZ3 LYS A 25 7.645 11.284 -0.503 1.00 1.74 H new ATOM 395 N MET A 26 4.657 5.887 -1.242 1.00 0.42 N ATOM 396 CA MET A 26 4.497 4.467 -0.980 1.00 0.41 C ATOM 397 C MET A 26 5.706 3.696 -1.480 1.00 0.42 C ATOM 398 O MET A 26 6.348 4.090 -2.452 1.00 0.49 O ATOM 399 CB MET A 26 3.239 3.915 -1.665 1.00 0.47 C ATOM 400 CG MET A 26 1.930 4.554 -1.215 1.00 0.73 C ATOM 401 SD MET A 26 1.633 6.178 -1.947 1.00 1.07 S ATOM 402 CE MET A 26 1.896 5.828 -3.680 1.00 0.76 C ATOM 0 H MET A 26 5.138 6.099 -2.116 1.00 0.42 H new ATOM 0 HA MET A 26 4.399 4.343 0.098 1.00 0.41 H new ATOM 0 HB2 MET A 26 3.341 4.050 -2.742 1.00 0.47 H new ATOM 0 HB3 MET A 26 3.184 2.842 -1.482 1.00 0.47 H new ATOM 0 HG2 MET A 26 1.104 3.891 -1.473 1.00 0.73 H new ATOM 0 HG3 MET A 26 1.936 4.649 -0.129 1.00 0.73 H new ATOM 0 HE1 MET A 26 1.450 6.619 -4.283 1.00 0.76 H new ATOM 0 HE2 MET A 26 2.966 5.777 -3.883 1.00 0.76 H new ATOM 0 HE3 MET A 26 1.433 4.874 -3.933 1.00 0.76 H new ATOM 412 N GLY A 27 6.006 2.600 -0.804 1.00 0.39 N ATOM 413 CA GLY A 27 7.106 1.749 -1.204 1.00 0.39 C ATOM 414 C GLY A 27 6.671 0.305 -1.314 1.00 0.32 C ATOM 415 O GLY A 27 5.894 -0.169 -0.482 1.00 0.33 O ATOM 0 H GLY A 27 5.502 2.281 0.023 1.00 0.39 H new ATOM 0 HA2 GLY A 27 7.500 2.087 -2.163 1.00 0.39 H new ATOM 0 HA3 GLY A 27 7.916 1.833 -0.479 1.00 0.39 H new ATOM 419 N MET A 28 7.150 -0.389 -2.336 1.00 0.28 N ATOM 420 CA MET A 28 6.727 -1.756 -2.596 1.00 0.27 C ATOM 421 C MET A 28 7.907 -2.724 -2.493 1.00 0.26 C ATOM 422 O MET A 28 9.014 -2.430 -2.946 1.00 0.31 O ATOM 423 CB MET A 28 6.068 -1.826 -3.983 1.00 0.34 C ATOM 424 CG MET A 28 5.332 -3.127 -4.276 1.00 0.45 C ATOM 425 SD MET A 28 6.419 -4.440 -4.857 1.00 0.87 S ATOM 426 CE MET A 28 5.236 -5.744 -5.177 1.00 0.72 C ATOM 0 H MET A 28 7.834 -0.026 -3.000 1.00 0.28 H new ATOM 0 HA MET A 28 5.999 -2.056 -1.842 1.00 0.27 H new ATOM 0 HB2 MET A 28 5.365 -0.998 -4.078 1.00 0.34 H new ATOM 0 HB3 MET A 28 6.836 -1.681 -4.742 1.00 0.34 H new ATOM 0 HG2 MET A 28 4.821 -3.460 -3.372 1.00 0.45 H new ATOM 0 HG3 MET A 28 4.563 -2.941 -5.026 1.00 0.45 H new ATOM 0 HE1 MET A 28 5.733 -6.711 -5.108 1.00 0.72 H new ATOM 0 HE2 MET A 28 4.433 -5.695 -4.441 1.00 0.72 H new ATOM 0 HE3 MET A 28 4.820 -5.620 -6.177 1.00 0.72 H new ATOM 436 N GLU A 29 7.658 -3.860 -1.860 1.00 0.24 N ATOM 437 CA GLU A 29 8.627 -4.941 -1.747 1.00 0.26 C ATOM 438 C GLU A 29 8.011 -6.215 -2.287 1.00 0.27 C ATOM 439 O GLU A 29 6.802 -6.400 -2.192 1.00 0.29 O ATOM 440 CB GLU A 29 9.013 -5.182 -0.289 1.00 0.34 C ATOM 441 CG GLU A 29 9.930 -4.136 0.302 1.00 0.47 C ATOM 442 CD GLU A 29 9.954 -4.199 1.810 1.00 0.56 C ATOM 443 OE1 GLU A 29 10.303 -5.267 2.365 1.00 1.14 O ATOM 444 OE2 GLU A 29 9.614 -3.185 2.454 1.00 0.68 O ATOM 0 H GLU A 29 6.767 -4.060 -1.405 1.00 0.24 H new ATOM 0 HA GLU A 29 9.517 -4.663 -2.312 1.00 0.26 H new ATOM 0 HB2 GLU A 29 8.104 -5.229 0.310 1.00 0.34 H new ATOM 0 HB3 GLU A 29 9.497 -6.156 -0.211 1.00 0.34 H new ATOM 0 HG2 GLU A 29 10.940 -4.278 -0.084 1.00 0.47 H new ATOM 0 HG3 GLU A 29 9.604 -3.146 -0.015 1.00 0.47 H new ATOM 451 N ASN A 30 8.824 -7.094 -2.831 1.00 0.32 N ATOM 452 CA ASN A 30 8.337 -8.394 -3.272 1.00 0.39 C ATOM 453 C ASN A 30 8.352 -9.368 -2.096 1.00 0.42 C ATOM 454 O ASN A 30 8.930 -9.066 -1.054 1.00 0.42 O ATOM 455 CB ASN A 30 9.194 -8.924 -4.426 1.00 0.47 C ATOM 456 CG ASN A 30 10.595 -9.324 -3.999 1.00 0.79 C ATOM 457 OD1 ASN A 30 11.110 -8.864 -2.980 1.00 1.41 O ATOM 458 ND2 ASN A 30 11.228 -10.177 -4.786 1.00 1.12 N ATOM 0 H ASN A 30 9.821 -6.939 -2.980 1.00 0.32 H new ATOM 0 HA ASN A 30 7.314 -8.291 -3.634 1.00 0.39 H new ATOM 0 HB2 ASN A 30 8.698 -9.786 -4.872 1.00 0.47 H new ATOM 0 HB3 ASN A 30 9.262 -8.159 -5.200 1.00 0.47 H new ATOM 0 HD21 ASN A 30 12.176 -10.475 -4.557 1.00 1.12 H new ATOM 0 HD22 ASN A 30 10.768 -10.537 -5.622 1.00 1.12 H new ATOM 465 N LYS A 31 7.682 -10.509 -2.242 1.00 0.48 N ATOM 466 CA LYS A 31 7.675 -11.569 -1.213 1.00 0.54 C ATOM 467 C LYS A 31 9.071 -12.085 -0.830 1.00 0.58 C ATOM 468 O LYS A 31 9.190 -13.033 -0.056 1.00 0.69 O ATOM 469 CB LYS A 31 6.813 -12.738 -1.678 1.00 0.62 C ATOM 470 CG LYS A 31 7.170 -13.256 -3.058 1.00 0.66 C ATOM 471 CD LYS A 31 6.125 -14.236 -3.552 1.00 0.78 C ATOM 472 CE LYS A 31 6.265 -14.502 -5.038 1.00 1.32 C ATOM 473 NZ LYS A 31 5.112 -15.270 -5.567 1.00 1.77 N ATOM 0 H LYS A 31 7.129 -10.733 -3.069 1.00 0.48 H new ATOM 0 HA LYS A 31 7.260 -11.110 -0.316 1.00 0.54 H new ATOM 0 HB2 LYS A 31 6.906 -13.553 -0.960 1.00 0.62 H new ATOM 0 HB3 LYS A 31 5.768 -12.429 -1.676 1.00 0.62 H new ATOM 0 HG2 LYS A 31 7.251 -12.422 -3.755 1.00 0.66 H new ATOM 0 HG3 LYS A 31 8.145 -13.742 -3.028 1.00 0.66 H new ATOM 0 HD2 LYS A 31 6.217 -15.174 -3.004 1.00 0.78 H new ATOM 0 HD3 LYS A 31 5.130 -13.842 -3.345 1.00 0.78 H new ATOM 0 HE2 LYS A 31 6.347 -13.555 -5.571 1.00 1.32 H new ATOM 0 HE3 LYS A 31 7.186 -15.054 -5.224 1.00 1.32 H new ATOM 0 HZ1 LYS A 31 5.047 -15.134 -6.596 1.00 1.77 H new ATOM 0 HZ2 LYS A 31 5.243 -16.280 -5.359 1.00 1.77 H new ATOM 0 HZ3 LYS A 31 4.236 -14.935 -5.118 1.00 1.77 H new ATOM 487 N PHE A 32 10.118 -11.472 -1.352 1.00 0.58 N ATOM 488 CA PHE A 32 11.471 -11.863 -1.005 1.00 0.63 C ATOM 489 C PHE A 32 12.151 -10.739 -0.239 1.00 0.56 C ATOM 490 O PHE A 32 13.338 -10.810 0.070 1.00 0.62 O ATOM 491 CB PHE A 32 12.262 -12.245 -2.255 1.00 0.69 C ATOM 492 CG PHE A 32 11.639 -13.382 -3.017 1.00 0.80 C ATOM 493 CD1 PHE A 32 11.439 -14.611 -2.410 1.00 0.95 C ATOM 494 CD2 PHE A 32 11.248 -13.220 -4.334 1.00 0.83 C ATOM 495 CE1 PHE A 32 10.862 -15.657 -3.104 1.00 1.08 C ATOM 496 CE2 PHE A 32 10.672 -14.262 -5.033 1.00 0.96 C ATOM 497 CZ PHE A 32 10.477 -15.483 -4.417 1.00 1.07 C ATOM 0 H PHE A 32 10.057 -10.702 -2.018 1.00 0.58 H new ATOM 0 HA PHE A 32 11.434 -12.743 -0.363 1.00 0.63 H new ATOM 0 HB2 PHE A 32 12.341 -11.376 -2.909 1.00 0.69 H new ATOM 0 HB3 PHE A 32 13.277 -12.520 -1.967 1.00 0.69 H new ATOM 0 HD1 PHE A 32 11.738 -14.753 -1.382 1.00 0.95 H new ATOM 0 HD2 PHE A 32 11.395 -12.267 -4.821 1.00 0.83 H new ATOM 0 HE1 PHE A 32 10.713 -16.610 -2.619 1.00 1.08 H new ATOM 0 HE2 PHE A 32 10.374 -14.122 -6.062 1.00 0.96 H new ATOM 0 HZ PHE A 32 10.025 -16.299 -4.962 1.00 1.07 H new ATOM 507 N GLY A 33 11.383 -9.698 0.072 1.00 0.49 N ATOM 508 CA GLY A 33 11.855 -8.660 0.958 1.00 0.49 C ATOM 509 C GLY A 33 12.785 -7.662 0.306 1.00 0.45 C ATOM 510 O GLY A 33 13.602 -7.042 0.990 1.00 0.54 O ATOM 0 H GLY A 33 10.436 -9.559 -0.280 1.00 0.49 H new ATOM 0 HA2 GLY A 33 10.996 -8.127 1.364 1.00 0.49 H new ATOM 0 HA3 GLY A 33 12.370 -9.123 1.800 1.00 0.49 H new ATOM 514 N LYS A 34 12.678 -7.503 -1.003 1.00 0.42 N ATOM 515 CA LYS A 34 13.479 -6.509 -1.702 1.00 0.52 C ATOM 516 C LYS A 34 12.578 -5.463 -2.342 1.00 0.38 C ATOM 517 O LYS A 34 11.466 -5.763 -2.785 1.00 0.72 O ATOM 518 CB LYS A 34 14.417 -7.166 -2.728 1.00 0.85 C ATOM 519 CG LYS A 34 13.723 -7.785 -3.928 1.00 1.17 C ATOM 520 CD LYS A 34 13.796 -6.881 -5.146 1.00 1.92 C ATOM 521 CE LYS A 34 12.988 -7.448 -6.302 1.00 2.73 C ATOM 522 NZ LYS A 34 13.268 -6.745 -7.583 1.00 3.25 N ATOM 0 H LYS A 34 12.051 -8.043 -1.599 1.00 0.42 H new ATOM 0 HA LYS A 34 14.115 -6.004 -0.976 1.00 0.52 H new ATOM 0 HB2 LYS A 34 15.124 -6.417 -3.083 1.00 0.85 H new ATOM 0 HB3 LYS A 34 14.997 -7.939 -2.224 1.00 0.85 H new ATOM 0 HG2 LYS A 34 14.183 -8.746 -4.159 1.00 1.17 H new ATOM 0 HG3 LYS A 34 12.679 -7.982 -3.683 1.00 1.17 H new ATOM 0 HD2 LYS A 34 13.422 -5.890 -4.889 1.00 1.92 H new ATOM 0 HD3 LYS A 34 14.836 -6.760 -5.450 1.00 1.92 H new ATOM 0 HE2 LYS A 34 13.214 -8.508 -6.415 1.00 2.73 H new ATOM 0 HE3 LYS A 34 11.925 -7.371 -6.072 1.00 2.73 H new ATOM 0 HZ1 LYS A 34 12.695 -7.165 -8.342 1.00 3.25 H new ATOM 0 HZ2 LYS A 34 13.028 -5.738 -7.486 1.00 3.25 H new ATOM 0 HZ3 LYS A 34 14.277 -6.840 -7.818 1.00 3.25 H new ATOM 536 N SER A 35 13.067 -4.236 -2.377 1.00 0.46 N ATOM 537 CA SER A 35 12.267 -3.100 -2.788 1.00 0.48 C ATOM 538 C SER A 35 12.170 -3.002 -4.308 1.00 0.58 C ATOM 539 O SER A 35 13.129 -3.295 -5.025 1.00 0.74 O ATOM 540 CB SER A 35 12.848 -1.814 -2.198 1.00 0.69 C ATOM 541 OG SER A 35 12.036 -0.689 -2.491 1.00 1.55 O ATOM 0 H SER A 35 14.026 -4.001 -2.122 1.00 0.46 H new ATOM 0 HA SER A 35 11.255 -3.241 -2.408 1.00 0.48 H new ATOM 0 HB2 SER A 35 12.946 -1.921 -1.118 1.00 0.69 H new ATOM 0 HB3 SER A 35 13.851 -1.652 -2.594 1.00 0.69 H new ATOM 0 HG SER A 35 12.436 0.115 -2.098 1.00 1.55 H new ATOM 547 N MET A 36 10.997 -2.613 -4.786 1.00 0.58 N ATOM 548 CA MET A 36 10.752 -2.415 -6.207 1.00 0.76 C ATOM 549 C MET A 36 9.632 -1.397 -6.403 1.00 0.87 C ATOM 550 O MET A 36 9.091 -0.866 -5.432 1.00 0.94 O ATOM 551 CB MET A 36 10.401 -3.743 -6.889 1.00 0.81 C ATOM 552 CG MET A 36 9.488 -4.634 -6.065 1.00 1.07 C ATOM 553 SD MET A 36 8.959 -6.106 -6.962 1.00 1.38 S ATOM 554 CE MET A 36 7.855 -5.369 -8.164 1.00 1.15 C ATOM 0 H MET A 36 10.186 -2.425 -4.197 1.00 0.58 H new ATOM 0 HA MET A 36 11.662 -2.031 -6.669 1.00 0.76 H new ATOM 0 HB2 MET A 36 9.922 -3.534 -7.846 1.00 0.81 H new ATOM 0 HB3 MET A 36 11.322 -4.284 -7.105 1.00 0.81 H new ATOM 0 HG2 MET A 36 10.006 -4.935 -5.154 1.00 1.07 H new ATOM 0 HG3 MET A 36 8.610 -4.065 -5.759 1.00 1.07 H new ATOM 0 HE1 MET A 36 7.182 -6.132 -8.556 1.00 1.15 H new ATOM 0 HE2 MET A 36 7.272 -4.581 -7.687 1.00 1.15 H new ATOM 0 HE3 MET A 36 8.438 -4.945 -8.982 1.00 1.15 H new ATOM 564 N ASN A 37 9.290 -1.121 -7.656 1.00 1.03 N ATOM 565 CA ASN A 37 8.281 -0.115 -7.971 1.00 1.17 C ATOM 566 C ASN A 37 6.943 -0.772 -8.283 1.00 0.99 C ATOM 567 O ASN A 37 6.893 -1.906 -8.765 1.00 1.03 O ATOM 568 CB ASN A 37 8.731 0.746 -9.158 1.00 1.55 C ATOM 569 CG ASN A 37 10.004 1.521 -8.870 1.00 2.18 C ATOM 570 OD1 ASN A 37 9.962 2.649 -8.374 1.00 2.78 O ATOM 571 ND2 ASN A 37 11.145 0.925 -9.184 1.00 2.51 N ATOM 0 H ASN A 37 9.696 -1.580 -8.471 1.00 1.03 H new ATOM 0 HA ASN A 37 8.159 0.526 -7.098 1.00 1.17 H new ATOM 0 HB2 ASN A 37 8.888 0.106 -10.026 1.00 1.55 H new ATOM 0 HB3 ASN A 37 7.936 1.445 -9.417 1.00 1.55 H new ATOM 0 HD21 ASN A 37 12.032 1.401 -9.017 1.00 2.51 H new ATOM 0 HD22 ASN A 37 11.137 -0.009 -9.593 1.00 2.51 H new ATOM 578 N MET A 38 5.864 -0.059 -8.007 1.00 1.01 N ATOM 579 CA MET A 38 4.522 -0.575 -8.231 1.00 0.99 C ATOM 580 C MET A 38 3.931 -0.001 -9.512 1.00 0.86 C ATOM 581 O MET A 38 3.913 1.217 -9.704 1.00 0.81 O ATOM 582 CB MET A 38 3.622 -0.228 -7.042 1.00 1.23 C ATOM 583 CG MET A 38 2.217 -0.803 -7.142 1.00 0.95 C ATOM 584 SD MET A 38 1.177 -0.331 -5.745 1.00 1.15 S ATOM 585 CE MET A 38 2.133 -0.972 -4.377 1.00 1.32 C ATOM 0 H MET A 38 5.891 0.886 -7.624 1.00 1.01 H new ATOM 0 HA MET A 38 4.583 -1.659 -8.332 1.00 0.99 H new ATOM 0 HB2 MET A 38 4.089 -0.593 -6.127 1.00 1.23 H new ATOM 0 HB3 MET A 38 3.555 0.856 -6.955 1.00 1.23 H new ATOM 0 HG2 MET A 38 1.753 -0.462 -8.068 1.00 0.95 H new ATOM 0 HG3 MET A 38 2.276 -1.890 -7.196 1.00 0.95 H new ATOM 0 HE1 MET A 38 1.503 -1.034 -3.490 1.00 1.32 H new ATOM 0 HE2 MET A 38 2.506 -1.965 -4.627 1.00 1.32 H new ATOM 0 HE3 MET A 38 2.974 -0.308 -4.178 1.00 1.32 H new ATOM 595 N PRO A 39 3.461 -0.871 -10.414 1.00 0.92 N ATOM 596 CA PRO A 39 2.831 -0.450 -11.665 1.00 0.91 C ATOM 597 C PRO A 39 1.401 0.049 -11.452 1.00 0.76 C ATOM 598 O PRO A 39 0.657 -0.497 -10.632 1.00 0.83 O ATOM 599 CB PRO A 39 2.835 -1.727 -12.502 1.00 1.16 C ATOM 600 CG PRO A 39 2.763 -2.829 -11.502 1.00 1.24 C ATOM 601 CD PRO A 39 3.514 -2.341 -10.290 1.00 1.13 C ATOM 0 HA PRO A 39 3.355 0.384 -12.132 1.00 0.91 H new ATOM 0 HB2 PRO A 39 1.987 -1.756 -13.186 1.00 1.16 H new ATOM 0 HB3 PRO A 39 3.737 -1.801 -13.109 1.00 1.16 H new ATOM 0 HG2 PRO A 39 1.728 -3.062 -11.252 1.00 1.24 H new ATOM 0 HG3 PRO A 39 3.209 -3.742 -11.895 1.00 1.24 H new ATOM 0 HD2 PRO A 39 3.047 -2.682 -9.366 1.00 1.13 H new ATOM 0 HD3 PRO A 39 4.541 -2.705 -10.282 1.00 1.13 H new ATOM 609 N GLU A 40 1.019 1.082 -12.190 1.00 0.77 N ATOM 610 CA GLU A 40 -0.309 1.663 -12.057 1.00 0.69 C ATOM 611 C GLU A 40 -1.342 0.826 -12.813 1.00 0.73 C ATOM 612 O GLU A 40 -1.002 0.108 -13.760 1.00 1.09 O ATOM 613 CB GLU A 40 -0.318 3.105 -12.581 1.00 0.76 C ATOM 614 CG GLU A 40 -1.622 3.842 -12.308 1.00 0.72 C ATOM 615 CD GLU A 40 -1.666 5.222 -12.929 1.00 0.94 C ATOM 616 OE1 GLU A 40 -2.108 5.349 -14.089 1.00 1.15 O ATOM 617 OE2 GLU A 40 -1.241 6.187 -12.259 1.00 1.09 O ATOM 0 H GLU A 40 1.610 1.535 -12.887 1.00 0.77 H new ATOM 0 HA GLU A 40 -0.573 1.670 -10.999 1.00 0.69 H new ATOM 0 HB2 GLU A 40 0.504 3.655 -12.123 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -0.134 3.094 -13.655 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -2.454 3.251 -12.692 1.00 0.72 H new ATOM 0 HG3 GLU A 40 -1.764 3.930 -11.231 1.00 0.72 H new ATOM 624 N GLY A 41 -2.592 0.904 -12.372 1.00 0.64 N ATOM 625 CA GLY A 41 -3.675 0.228 -13.055 1.00 0.66 C ATOM 626 C GLY A 41 -4.032 -1.109 -12.438 1.00 0.62 C ATOM 627 O GLY A 41 -5.127 -1.624 -12.663 1.00 0.68 O ATOM 0 H GLY A 41 -2.875 1.429 -11.545 1.00 0.64 H new ATOM 0 HA2 GLY A 41 -4.556 0.870 -13.049 1.00 0.66 H new ATOM 0 HA3 GLY A 41 -3.399 0.076 -14.098 1.00 0.66 H new ATOM 631 N LYS A 42 -3.123 -1.681 -11.662 1.00 0.59 N ATOM 632 CA LYS A 42 -3.345 -3.001 -11.090 1.00 0.59 C ATOM 633 C LYS A 42 -3.833 -2.913 -9.656 1.00 0.52 C ATOM 634 O LYS A 42 -3.204 -2.280 -8.818 1.00 0.54 O ATOM 635 CB LYS A 42 -2.066 -3.831 -11.122 1.00 0.67 C ATOM 636 CG LYS A 42 -1.578 -4.166 -12.519 1.00 0.85 C ATOM 637 CD LYS A 42 -0.447 -5.183 -12.478 1.00 1.45 C ATOM 638 CE LYS A 42 -0.890 -6.463 -11.787 1.00 1.85 C ATOM 639 NZ LYS A 42 0.173 -7.501 -11.789 1.00 2.30 N ATOM 0 H LYS A 42 -2.230 -1.255 -11.415 1.00 0.59 H new ATOM 0 HA LYS A 42 -4.111 -3.482 -11.698 1.00 0.59 H new ATOM 0 HB2 LYS A 42 -1.281 -3.289 -10.595 1.00 0.67 H new ATOM 0 HB3 LYS A 42 -2.234 -4.759 -10.576 1.00 0.67 H new ATOM 0 HG2 LYS A 42 -2.404 -4.561 -13.111 1.00 0.85 H new ATOM 0 HG3 LYS A 42 -1.236 -3.258 -13.015 1.00 0.85 H new ATOM 0 HD2 LYS A 42 -0.119 -5.408 -13.493 1.00 1.45 H new ATOM 0 HD3 LYS A 42 0.409 -4.759 -11.953 1.00 1.45 H new ATOM 0 HE2 LYS A 42 -1.174 -6.239 -10.759 1.00 1.85 H new ATOM 0 HE3 LYS A 42 -1.777 -6.854 -12.285 1.00 1.85 H new ATOM 0 HZ1 LYS A 42 -0.175 -8.355 -11.307 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 0.427 -7.736 -12.770 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 1.012 -7.140 -11.291 1.00 2.30 H new ATOM 653 N VAL A 43 -4.943 -3.563 -9.371 1.00 0.48 N ATOM 654 CA VAL A 43 -5.429 -3.636 -8.008 1.00 0.45 C ATOM 655 C VAL A 43 -4.840 -4.867 -7.317 1.00 0.39 C ATOM 656 O VAL A 43 -4.949 -5.988 -7.822 1.00 0.46 O ATOM 657 CB VAL A 43 -6.978 -3.654 -7.950 1.00 0.54 C ATOM 658 CG1 VAL A 43 -7.552 -4.800 -8.768 1.00 0.69 C ATOM 659 CG2 VAL A 43 -7.464 -3.726 -6.510 1.00 0.93 C ATOM 0 H VAL A 43 -5.522 -4.045 -10.059 1.00 0.48 H new ATOM 0 HA VAL A 43 -5.103 -2.740 -7.480 1.00 0.45 H new ATOM 0 HB VAL A 43 -7.335 -2.722 -8.388 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -8.640 -4.783 -8.705 1.00 0.69 H new ATOM 0 HG12 VAL A 43 -7.247 -4.693 -9.809 1.00 0.69 H new ATOM 0 HG13 VAL A 43 -7.181 -5.748 -8.377 1.00 0.69 H new ATOM 0 HG21 VAL A 43 -8.554 -3.737 -6.494 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -7.085 -4.635 -6.043 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -7.102 -2.857 -5.960 1.00 0.93 H new ATOM 669 N MET A 44 -4.185 -4.644 -6.191 1.00 0.35 N ATOM 670 CA MET A 44 -3.570 -5.725 -5.435 1.00 0.36 C ATOM 671 C MET A 44 -4.342 -5.974 -4.156 1.00 0.34 C ATOM 672 O MET A 44 -4.942 -5.052 -3.598 1.00 0.39 O ATOM 673 CB MET A 44 -2.111 -5.410 -5.088 1.00 0.46 C ATOM 674 CG MET A 44 -1.126 -5.652 -6.219 1.00 0.76 C ATOM 675 SD MET A 44 -1.266 -4.460 -7.565 1.00 1.31 S ATOM 676 CE MET A 44 -0.984 -2.923 -6.688 1.00 1.20 C ATOM 0 H MET A 44 -4.064 -3.720 -5.777 1.00 0.35 H new ATOM 0 HA MET A 44 -3.593 -6.616 -6.062 1.00 0.36 H new ATOM 0 HB2 MET A 44 -2.042 -4.367 -4.780 1.00 0.46 H new ATOM 0 HB3 MET A 44 -1.816 -6.016 -4.231 1.00 0.46 H new ATOM 0 HG2 MET A 44 -0.112 -5.620 -5.820 1.00 0.76 H new ATOM 0 HG3 MET A 44 -1.280 -6.655 -6.616 1.00 0.76 H new ATOM 0 HE1 MET A 44 -0.653 -2.158 -7.391 1.00 1.20 H new ATOM 0 HE2 MET A 44 -1.910 -2.601 -6.211 1.00 1.20 H new ATOM 0 HE3 MET A 44 -0.217 -3.073 -5.928 1.00 1.20 H new ATOM 686 N GLU A 45 -4.330 -7.211 -3.694 1.00 0.31 N ATOM 687 CA GLU A 45 -4.978 -7.545 -2.441 1.00 0.34 C ATOM 688 C GLU A 45 -3.973 -7.877 -1.351 1.00 0.30 C ATOM 689 O GLU A 45 -2.830 -8.265 -1.611 1.00 0.35 O ATOM 690 CB GLU A 45 -5.968 -8.695 -2.607 1.00 0.47 C ATOM 691 CG GLU A 45 -7.296 -8.249 -3.186 1.00 0.99 C ATOM 692 CD GLU A 45 -8.350 -9.330 -3.139 1.00 1.17 C ATOM 693 OE1 GLU A 45 -8.180 -10.365 -3.809 1.00 1.43 O ATOM 694 OE2 GLU A 45 -9.360 -9.142 -2.425 1.00 1.64 O ATOM 0 H GLU A 45 -3.881 -7.996 -4.165 1.00 0.31 H new ATOM 0 HA GLU A 45 -5.529 -6.656 -2.134 1.00 0.34 H new ATOM 0 HB2 GLU A 45 -5.531 -9.454 -3.256 1.00 0.47 H new ATOM 0 HB3 GLU A 45 -6.139 -9.164 -1.638 1.00 0.47 H new ATOM 0 HG2 GLU A 45 -7.652 -7.377 -2.637 1.00 0.99 H new ATOM 0 HG3 GLU A 45 -7.149 -7.936 -4.220 1.00 0.99 H new ATOM 701 N THR A 46 -4.442 -7.739 -0.130 1.00 0.29 N ATOM 702 CA THR A 46 -3.626 -7.967 1.040 1.00 0.31 C ATOM 703 C THR A 46 -3.997 -9.289 1.693 1.00 0.39 C ATOM 704 O THR A 46 -5.039 -9.868 1.390 1.00 0.49 O ATOM 705 CB THR A 46 -3.773 -6.832 2.073 1.00 0.42 C ATOM 706 OG1 THR A 46 -5.118 -6.776 2.572 1.00 0.53 O ATOM 707 CG2 THR A 46 -3.399 -5.489 1.462 1.00 0.50 C ATOM 0 H THR A 46 -5.402 -7.465 0.079 1.00 0.29 H new ATOM 0 HA THR A 46 -2.588 -7.995 0.708 1.00 0.31 H new ATOM 0 HB THR A 46 -3.093 -7.043 2.899 1.00 0.42 H new ATOM 0 HG1 THR A 46 -5.158 -6.164 3.337 1.00 0.53 H new ATOM 0 HG21 THR A 46 -3.511 -4.705 2.211 1.00 0.50 H new ATOM 0 HG22 THR A 46 -2.364 -5.520 1.121 1.00 0.50 H new ATOM 0 HG23 THR A 46 -4.054 -5.279 0.616 1.00 0.50 H new ATOM 715 N ARG A 47 -3.134 -9.755 2.583 1.00 0.39 N ATOM 716 CA ARG A 47 -3.394 -10.948 3.384 1.00 0.51 C ATOM 717 C ARG A 47 -4.746 -10.879 4.078 1.00 0.72 C ATOM 718 O ARG A 47 -5.381 -11.899 4.338 1.00 0.92 O ATOM 719 CB ARG A 47 -2.315 -11.082 4.448 1.00 0.54 C ATOM 720 CG ARG A 47 -0.974 -11.545 3.912 1.00 0.95 C ATOM 721 CD ARG A 47 0.095 -11.449 4.983 1.00 1.27 C ATOM 722 NE ARG A 47 -0.270 -12.186 6.187 1.00 2.09 N ATOM 723 CZ ARG A 47 0.052 -11.810 7.424 1.00 2.77 C ATOM 724 NH1 ARG A 47 0.792 -10.725 7.629 1.00 2.94 N ATOM 725 NH2 ARG A 47 -0.361 -12.530 8.457 1.00 3.73 N ATOM 0 H ARG A 47 -2.232 -9.318 2.773 1.00 0.39 H new ATOM 0 HA ARG A 47 -3.392 -11.806 2.711 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -2.184 -10.119 4.942 1.00 0.54 H new ATOM 0 HB3 ARG A 47 -2.654 -11.786 5.208 1.00 0.54 H new ATOM 0 HG2 ARG A 47 -1.053 -12.574 3.562 1.00 0.95 H new ATOM 0 HG3 ARG A 47 -0.691 -10.937 3.053 1.00 0.95 H new ATOM 0 HD2 ARG A 47 1.036 -11.837 4.592 1.00 1.27 H new ATOM 0 HD3 ARG A 47 0.262 -10.402 5.236 1.00 1.27 H new ATOM 0 HE ARG A 47 -0.807 -13.046 6.075 1.00 2.09 H new ATOM 0 HH11 ARG A 47 1.118 -10.173 6.836 1.00 2.94 H new ATOM 0 HH12 ARG A 47 1.034 -10.445 8.579 1.00 2.94 H new ATOM 0 HH21 ARG A 47 -0.923 -13.367 8.303 1.00 3.73 H new ATOM 0 HH22 ARG A 47 -0.117 -12.247 9.406 1.00 3.73 H new ATOM 739 N ASP A 48 -5.182 -9.666 4.345 1.00 0.78 N ATOM 740 CA ASP A 48 -6.364 -9.439 5.146 1.00 1.06 C ATOM 741 C ASP A 48 -7.606 -9.318 4.273 1.00 1.04 C ATOM 742 O ASP A 48 -8.724 -9.543 4.733 1.00 1.45 O ATOM 743 CB ASP A 48 -6.160 -8.184 5.986 1.00 1.30 C ATOM 744 CG ASP A 48 -7.397 -7.784 6.765 1.00 1.83 C ATOM 745 OD1 ASP A 48 -7.735 -8.481 7.747 1.00 2.70 O ATOM 746 OD2 ASP A 48 -8.044 -6.782 6.393 1.00 1.79 O ATOM 0 H ASP A 48 -4.729 -8.814 4.014 1.00 0.78 H new ATOM 0 HA ASP A 48 -6.520 -10.293 5.805 1.00 1.06 H new ATOM 0 HB2 ASP A 48 -5.337 -8.349 6.682 1.00 1.30 H new ATOM 0 HB3 ASP A 48 -5.866 -7.361 5.334 1.00 1.30 H new ATOM 751 N GLY A 49 -7.411 -8.987 3.001 1.00 0.68 N ATOM 752 CA GLY A 49 -8.535 -8.865 2.103 1.00 0.72 C ATOM 753 C GLY A 49 -8.822 -7.428 1.734 1.00 0.70 C ATOM 754 O GLY A 49 -9.958 -7.071 1.437 1.00 0.77 O ATOM 0 H GLY A 49 -6.500 -8.803 2.582 1.00 0.68 H new ATOM 0 HA2 GLY A 49 -8.337 -9.438 1.197 1.00 0.72 H new ATOM 0 HA3 GLY A 49 -9.418 -9.301 2.569 1.00 0.72 H new ATOM 758 N THR A 50 -7.794 -6.594 1.768 1.00 0.65 N ATOM 759 CA THR A 50 -7.922 -5.204 1.375 1.00 0.69 C ATOM 760 C THR A 50 -7.382 -5.026 -0.040 1.00 0.55 C ATOM 761 O THR A 50 -6.428 -5.700 -0.427 1.00 0.52 O ATOM 762 CB THR A 50 -7.142 -4.299 2.354 1.00 0.83 C ATOM 763 OG1 THR A 50 -7.530 -4.599 3.704 1.00 1.25 O ATOM 764 CG2 THR A 50 -7.391 -2.823 2.072 1.00 1.35 C ATOM 0 H THR A 50 -6.856 -6.861 2.067 1.00 0.65 H new ATOM 0 HA THR A 50 -8.974 -4.920 1.401 1.00 0.69 H new ATOM 0 HB THR A 50 -6.079 -4.496 2.217 1.00 0.83 H new ATOM 0 HG1 THR A 50 -7.032 -4.025 4.323 1.00 1.25 H new ATOM 0 HG21 THR A 50 -6.826 -2.217 2.780 1.00 1.35 H new ATOM 0 HG22 THR A 50 -7.071 -2.588 1.057 1.00 1.35 H new ATOM 0 HG23 THR A 50 -8.454 -2.607 2.177 1.00 1.35 H new ATOM 772 N LYS A 51 -7.993 -4.138 -0.805 1.00 0.53 N ATOM 773 CA LYS A 51 -7.568 -3.890 -2.172 1.00 0.52 C ATOM 774 C LYS A 51 -6.910 -2.522 -2.274 1.00 0.51 C ATOM 775 O LYS A 51 -7.440 -1.533 -1.760 1.00 0.56 O ATOM 776 CB LYS A 51 -8.771 -3.979 -3.114 1.00 0.59 C ATOM 777 CG LYS A 51 -9.383 -5.371 -3.187 1.00 0.67 C ATOM 778 CD LYS A 51 -10.685 -5.369 -3.974 1.00 1.19 C ATOM 779 CE LYS A 51 -11.240 -6.775 -4.166 1.00 1.26 C ATOM 780 NZ LYS A 51 -11.391 -7.509 -2.879 1.00 1.84 N ATOM 0 H LYS A 51 -8.788 -3.575 -0.502 1.00 0.53 H new ATOM 0 HA LYS A 51 -6.839 -4.646 -2.464 1.00 0.52 H new ATOM 0 HB2 LYS A 51 -9.533 -3.272 -2.785 1.00 0.59 H new ATOM 0 HB3 LYS A 51 -8.463 -3.673 -4.114 1.00 0.59 H new ATOM 0 HG2 LYS A 51 -8.676 -6.056 -3.654 1.00 0.67 H new ATOM 0 HG3 LYS A 51 -9.567 -5.742 -2.179 1.00 0.67 H new ATOM 0 HD2 LYS A 51 -11.422 -4.757 -3.454 1.00 1.19 H new ATOM 0 HD3 LYS A 51 -10.519 -4.909 -4.948 1.00 1.19 H new ATOM 0 HE2 LYS A 51 -12.209 -6.715 -4.662 1.00 1.26 H new ATOM 0 HE3 LYS A 51 -10.578 -7.337 -4.825 1.00 1.26 H new ATOM 0 HZ1 LYS A 51 -12.063 -8.293 -3.003 1.00 1.84 H new ATOM 0 HZ2 LYS A 51 -10.468 -7.887 -2.585 1.00 1.84 H new ATOM 0 HZ3 LYS A 51 -11.748 -6.860 -2.149 1.00 1.84 H new ATOM 794 N ILE A 52 -5.741 -2.471 -2.902 1.00 0.47 N ATOM 795 CA ILE A 52 -5.001 -1.223 -3.046 1.00 0.46 C ATOM 796 C ILE A 52 -4.425 -1.076 -4.454 1.00 0.46 C ATOM 797 O ILE A 52 -4.265 -2.060 -5.179 1.00 0.52 O ATOM 798 CB ILE A 52 -3.846 -1.122 -2.019 1.00 0.48 C ATOM 799 CG1 ILE A 52 -2.901 -2.322 -2.156 1.00 0.49 C ATOM 800 CG2 ILE A 52 -4.397 -1.024 -0.602 1.00 0.66 C ATOM 801 CD1 ILE A 52 -1.686 -2.248 -1.256 1.00 0.51 C ATOM 0 H ILE A 52 -5.284 -3.281 -3.320 1.00 0.47 H new ATOM 0 HA ILE A 52 -5.713 -0.419 -2.861 1.00 0.46 H new ATOM 0 HB ILE A 52 -3.277 -0.215 -2.225 1.00 0.48 H new ATOM 0 HG12 ILE A 52 -3.453 -3.235 -1.932 1.00 0.49 H new ATOM 0 HG13 ILE A 52 -2.570 -2.396 -3.192 1.00 0.49 H new ATOM 0 HG21 ILE A 52 -3.571 -0.954 0.106 1.00 0.66 H new ATOM 0 HG22 ILE A 52 -5.025 -0.137 -0.516 1.00 0.66 H new ATOM 0 HG23 ILE A 52 -4.990 -1.911 -0.380 1.00 0.66 H new ATOM 0 HD11 ILE A 52 -1.065 -3.131 -1.409 1.00 0.51 H new ATOM 0 HD12 ILE A 52 -1.110 -1.354 -1.495 1.00 0.51 H new ATOM 0 HD13 ILE A 52 -2.006 -2.206 -0.215 1.00 0.51 H new ATOM 813 N ILE A 53 -4.118 0.163 -4.828 1.00 0.42 N ATOM 814 CA ILE A 53 -3.466 0.460 -6.112 1.00 0.41 C ATOM 815 C ILE A 53 -2.786 1.832 -6.062 1.00 0.42 C ATOM 816 O ILE A 53 -3.292 2.767 -5.455 1.00 0.44 O ATOM 817 CB ILE A 53 -4.437 0.358 -7.349 1.00 0.40 C ATOM 818 CG1 ILE A 53 -3.934 1.167 -8.550 1.00 0.43 C ATOM 819 CG2 ILE A 53 -5.843 0.788 -7.021 1.00 0.42 C ATOM 820 CD1 ILE A 53 -2.756 0.555 -9.237 1.00 0.98 C ATOM 0 H ILE A 53 -4.310 0.987 -4.259 1.00 0.42 H new ATOM 0 HA ILE A 53 -2.710 -0.312 -6.260 1.00 0.41 H new ATOM 0 HB ILE A 53 -4.450 -0.699 -7.613 1.00 0.40 H new ATOM 0 HG12 ILE A 53 -4.746 1.276 -9.269 1.00 0.43 H new ATOM 0 HG13 ILE A 53 -3.668 2.170 -8.215 1.00 0.43 H new ATOM 0 HG21 ILE A 53 -6.468 0.697 -7.909 1.00 0.42 H new ATOM 0 HG22 ILE A 53 -6.242 0.153 -6.230 1.00 0.42 H new ATOM 0 HG23 ILE A 53 -5.837 1.825 -6.686 1.00 0.42 H new ATOM 0 HD11 ILE A 53 -2.457 1.183 -10.076 1.00 0.98 H new ATOM 0 HD12 ILE A 53 -1.928 0.471 -8.533 1.00 0.98 H new ATOM 0 HD13 ILE A 53 -3.023 -0.436 -9.603 1.00 0.98 H new ATOM 832 N MET A 54 -1.637 1.934 -6.711 1.00 0.44 N ATOM 833 CA MET A 54 -0.880 3.178 -6.776 1.00 0.47 C ATOM 834 C MET A 54 -1.219 3.856 -8.091 1.00 0.48 C ATOM 835 O MET A 54 -0.811 3.403 -9.160 1.00 0.54 O ATOM 836 CB MET A 54 0.625 2.880 -6.677 1.00 0.52 C ATOM 837 CG MET A 54 1.529 4.106 -6.632 1.00 0.60 C ATOM 838 SD MET A 54 1.777 4.880 -8.242 1.00 1.08 S ATOM 839 CE MET A 54 2.975 6.143 -7.826 1.00 1.50 C ATOM 0 H MET A 54 -1.201 1.157 -7.208 1.00 0.44 H new ATOM 0 HA MET A 54 -1.139 3.836 -5.946 1.00 0.47 H new ATOM 0 HB2 MET A 54 0.803 2.285 -5.781 1.00 0.52 H new ATOM 0 HB3 MET A 54 0.914 2.267 -7.530 1.00 0.52 H new ATOM 0 HG2 MET A 54 1.100 4.839 -5.948 1.00 0.60 H new ATOM 0 HG3 MET A 54 2.498 3.818 -6.224 1.00 0.60 H new ATOM 0 HE1 MET A 54 3.191 6.744 -8.709 1.00 1.50 H new ATOM 0 HE2 MET A 54 2.572 6.783 -7.041 1.00 1.50 H new ATOM 0 HE3 MET A 54 3.893 5.672 -7.474 1.00 1.50 H new ATOM 849 N LYS A 55 -2.006 4.909 -8.011 1.00 0.52 N ATOM 850 CA LYS A 55 -2.528 5.551 -9.196 1.00 0.58 C ATOM 851 C LYS A 55 -2.474 7.059 -9.050 1.00 0.66 C ATOM 852 O LYS A 55 -2.800 7.601 -7.992 1.00 0.70 O ATOM 853 CB LYS A 55 -3.958 5.081 -9.444 1.00 0.72 C ATOM 854 CG LYS A 55 -4.571 5.627 -10.715 1.00 0.95 C ATOM 855 CD LYS A 55 -5.758 4.786 -11.133 1.00 0.94 C ATOM 856 CE LYS A 55 -6.508 5.398 -12.304 1.00 1.11 C ATOM 857 NZ LYS A 55 -7.543 4.471 -12.835 1.00 1.69 N ATOM 0 H LYS A 55 -2.298 5.339 -7.133 1.00 0.52 H new ATOM 0 HA LYS A 55 -1.913 5.275 -10.053 1.00 0.58 H new ATOM 0 HB2 LYS A 55 -3.970 3.992 -9.485 1.00 0.72 H new ATOM 0 HB3 LYS A 55 -4.579 5.375 -8.598 1.00 0.72 H new ATOM 0 HG2 LYS A 55 -4.885 6.659 -10.560 1.00 0.95 H new ATOM 0 HG3 LYS A 55 -3.826 5.636 -11.511 1.00 0.95 H new ATOM 0 HD2 LYS A 55 -5.416 3.787 -11.404 1.00 0.94 H new ATOM 0 HD3 LYS A 55 -6.437 4.672 -10.288 1.00 0.94 H new ATOM 0 HE2 LYS A 55 -6.980 6.329 -11.989 1.00 1.11 H new ATOM 0 HE3 LYS A 55 -5.803 5.650 -13.096 1.00 1.11 H new ATOM 0 HZ1 LYS A 55 -8.035 4.921 -13.633 1.00 1.69 H new ATOM 0 HZ2 LYS A 55 -7.089 3.593 -13.159 1.00 1.69 H new ATOM 0 HZ3 LYS A 55 -8.229 4.250 -12.085 1.00 1.69 H new ATOM 871 N GLY A 56 -2.044 7.724 -10.108 1.00 0.77 N ATOM 872 CA GLY A 56 -1.957 9.172 -10.101 1.00 0.93 C ATOM 873 C GLY A 56 -0.895 9.692 -9.146 1.00 0.94 C ATOM 874 O GLY A 56 -1.056 10.763 -8.565 1.00 1.21 O ATOM 0 H GLY A 56 -1.750 7.285 -10.981 1.00 0.77 H new ATOM 0 HA2 GLY A 56 -1.737 9.523 -11.109 1.00 0.93 H new ATOM 0 HA3 GLY A 56 -2.925 9.589 -9.823 1.00 0.93 H new ATOM 878 N ASN A 57 0.193 8.931 -9.003 1.00 0.99 N ATOM 879 CA ASN A 57 1.305 9.287 -8.108 1.00 1.05 C ATOM 880 C ASN A 57 0.867 9.241 -6.647 1.00 0.97 C ATOM 881 O ASN A 57 1.511 9.807 -5.762 1.00 1.15 O ATOM 882 CB ASN A 57 1.885 10.671 -8.449 1.00 1.30 C ATOM 883 CG ASN A 57 2.692 10.685 -9.740 1.00 1.96 C ATOM 884 OD1 ASN A 57 3.623 11.477 -9.891 1.00 2.10 O ATOM 885 ND2 ASN A 57 2.343 9.819 -10.681 1.00 2.90 N ATOM 0 H ASN A 57 0.331 8.052 -9.502 1.00 0.99 H new ATOM 0 HA ASN A 57 2.091 8.547 -8.258 1.00 1.05 H new ATOM 0 HB2 ASN A 57 1.069 11.389 -8.531 1.00 1.30 H new ATOM 0 HB3 ASN A 57 2.520 11.003 -7.628 1.00 1.30 H new ATOM 0 HD21 ASN A 57 2.851 9.794 -11.565 1.00 2.90 H new ATOM 0 HD22 ASN A 57 1.566 9.178 -10.521 1.00 2.90 H new ATOM 892 N GLU A 58 -0.221 8.531 -6.406 1.00 0.86 N ATOM 893 CA GLU A 58 -0.775 8.375 -5.067 1.00 0.84 C ATOM 894 C GLU A 58 -1.145 6.934 -4.844 1.00 0.69 C ATOM 895 O GLU A 58 -0.750 6.063 -5.615 1.00 0.75 O ATOM 896 CB GLU A 58 -2.022 9.236 -4.891 1.00 0.88 C ATOM 897 CG GLU A 58 -1.789 10.723 -5.098 1.00 1.05 C ATOM 898 CD GLU A 58 -2.991 11.562 -4.716 1.00 1.30 C ATOM 899 OE1 GLU A 58 -3.866 11.788 -5.578 1.00 1.63 O ATOM 900 OE2 GLU A 58 -3.062 12.006 -3.549 1.00 1.66 O ATOM 0 H GLU A 58 -0.748 8.045 -7.132 1.00 0.86 H new ATOM 0 HA GLU A 58 -0.022 8.691 -4.345 1.00 0.84 H new ATOM 0 HB2 GLU A 58 -2.784 8.898 -5.593 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -2.420 9.078 -3.888 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -0.929 11.038 -4.507 1.00 1.05 H new ATOM 0 HG3 GLU A 58 -1.541 10.906 -6.144 1.00 1.05 H new ATOM 907 N ILE A 59 -1.919 6.681 -3.809 1.00 0.64 N ATOM 908 CA ILE A 59 -2.358 5.342 -3.548 1.00 0.56 C ATOM 909 C ILE A 59 -3.832 5.313 -3.193 1.00 0.55 C ATOM 910 O ILE A 59 -4.331 6.108 -2.391 1.00 0.63 O ATOM 911 CB ILE A 59 -1.510 4.625 -2.464 1.00 0.62 C ATOM 912 CG1 ILE A 59 -1.140 3.233 -2.978 1.00 0.79 C ATOM 913 CG2 ILE A 59 -2.230 4.537 -1.118 1.00 0.58 C ATOM 914 CD1 ILE A 59 -0.484 2.334 -1.950 1.00 0.92 C ATOM 0 H ILE A 59 -2.250 7.382 -3.146 1.00 0.64 H new ATOM 0 HA ILE A 59 -2.211 4.784 -4.473 1.00 0.56 H new ATOM 0 HB ILE A 59 -0.609 5.212 -2.285 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -2.042 2.744 -3.346 1.00 0.79 H new ATOM 0 HG13 ILE A 59 -0.467 3.341 -3.829 1.00 0.79 H new ATOM 0 HG21 ILE A 59 -1.592 4.026 -0.397 1.00 0.58 H new ATOM 0 HG22 ILE A 59 -2.453 5.541 -0.758 1.00 0.58 H new ATOM 0 HG23 ILE A 59 -3.159 3.980 -1.238 1.00 0.58 H new ATOM 0 HD11 ILE A 59 -0.257 1.369 -2.403 1.00 0.92 H new ATOM 0 HD12 ILE A 59 0.439 2.796 -1.599 1.00 0.92 H new ATOM 0 HD13 ILE A 59 -1.161 2.190 -1.108 1.00 0.92 H new ATOM 926 N PHE A 60 -4.518 4.420 -3.852 1.00 0.48 N ATOM 927 CA PHE A 60 -5.867 4.059 -3.519 1.00 0.48 C ATOM 928 C PHE A 60 -5.786 3.041 -2.399 1.00 0.48 C ATOM 929 O PHE A 60 -5.215 1.963 -2.550 1.00 0.45 O ATOM 930 CB PHE A 60 -6.536 3.541 -4.810 1.00 0.50 C ATOM 931 CG PHE A 60 -7.526 2.401 -4.717 1.00 0.48 C ATOM 932 CD1 PHE A 60 -7.140 1.170 -4.220 1.00 0.44 C ATOM 933 CD2 PHE A 60 -8.860 2.592 -5.031 1.00 0.69 C ATOM 934 CE1 PHE A 60 -8.069 0.162 -4.039 1.00 0.47 C ATOM 935 CE2 PHE A 60 -9.780 1.592 -4.870 1.00 0.71 C ATOM 936 CZ PHE A 60 -9.279 0.253 -4.726 1.00 0.54 C ATOM 0 H PHE A 60 -4.145 3.912 -4.654 1.00 0.48 H new ATOM 0 HA PHE A 60 -6.479 4.886 -3.159 1.00 0.48 H new ATOM 0 HB2 PHE A 60 -7.047 4.383 -5.276 1.00 0.50 H new ATOM 0 HB3 PHE A 60 -5.743 3.233 -5.491 1.00 0.50 H new ATOM 0 HD1 PHE A 60 -6.104 0.994 -3.971 1.00 0.44 H new ATOM 0 HD2 PHE A 60 -9.182 3.550 -5.411 1.00 0.69 H new ATOM 0 HE1 PHE A 60 -7.863 -0.672 -3.384 1.00 0.47 H new ATOM 0 HE2 PHE A 60 -10.840 1.801 -4.852 1.00 0.71 H new ATOM 0 HZ PHE A 60 -9.796 -0.611 -5.117 1.00 0.54 H new ATOM 946 N ARG A 61 -6.230 3.457 -1.239 1.00 0.60 N ATOM 947 CA ARG A 61 -6.354 2.561 -0.119 1.00 0.70 C ATOM 948 C ARG A 61 -7.816 2.555 0.253 1.00 0.69 C ATOM 949 O ARG A 61 -8.318 3.541 0.796 1.00 0.88 O ATOM 950 CB ARG A 61 -5.503 3.009 1.069 1.00 1.03 C ATOM 951 CG ARG A 61 -5.382 1.949 2.151 1.00 1.21 C ATOM 952 CD ARG A 61 -5.593 2.525 3.541 1.00 1.51 C ATOM 953 NE ARG A 61 -4.621 3.571 3.873 1.00 2.25 N ATOM 954 CZ ARG A 61 -4.138 3.761 5.099 1.00 2.70 C ATOM 955 NH1 ARG A 61 -4.479 2.943 6.087 1.00 2.72 N ATOM 956 NH2 ARG A 61 -3.301 4.765 5.337 1.00 3.56 N ATOM 0 H ARG A 61 -6.513 4.418 -1.046 1.00 0.60 H new ATOM 0 HA ARG A 61 -5.998 1.566 -0.387 1.00 0.70 H new ATOM 0 HB2 ARG A 61 -4.507 3.273 0.715 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -5.938 3.911 1.500 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -6.114 1.162 1.970 1.00 1.21 H new ATOM 0 HG3 ARG A 61 -4.396 1.487 2.096 1.00 1.21 H new ATOM 0 HD2 ARG A 61 -6.600 2.935 3.611 1.00 1.51 H new ATOM 0 HD3 ARG A 61 -5.524 1.723 4.276 1.00 1.51 H new ATOM 0 HE ARG A 61 -4.298 4.185 3.126 1.00 2.25 H new ATOM 0 HH11 ARG A 61 -5.114 2.165 5.909 1.00 2.72 H new ATOM 0 HH12 ARG A 61 -4.106 3.093 7.025 1.00 2.72 H new ATOM 0 HH21 ARG A 61 -3.028 5.391 4.580 1.00 3.56 H new ATOM 0 HH22 ARG A 61 -2.932 4.909 6.277 1.00 3.56 H new ATOM 970 N LEU A 62 -8.491 1.453 -0.052 1.00 0.78 N ATOM 971 CA LEU A 62 -9.964 1.407 -0.048 1.00 1.07 C ATOM 972 C LEU A 62 -10.569 2.371 -1.077 1.00 1.19 C ATOM 973 O LEU A 62 -11.622 2.090 -1.648 1.00 1.40 O ATOM 974 CB LEU A 62 -10.515 1.793 1.326 1.00 1.26 C ATOM 975 CG LEU A 62 -10.736 0.661 2.310 1.00 1.08 C ATOM 976 CD1 LEU A 62 -11.780 -0.298 1.764 1.00 1.36 C ATOM 977 CD2 LEU A 62 -9.437 -0.065 2.616 1.00 1.32 C ATOM 0 H LEU A 62 -8.047 0.571 -0.308 1.00 0.78 H new ATOM 0 HA LEU A 62 -10.239 0.383 -0.300 1.00 1.07 H new ATOM 0 HB2 LEU A 62 -9.830 2.510 1.779 1.00 1.26 H new ATOM 0 HB3 LEU A 62 -11.464 2.308 1.180 1.00 1.26 H new ATOM 0 HG LEU A 62 -11.100 1.082 3.247 1.00 1.08 H new ATOM 0 HD11 LEU A 62 -11.935 -1.110 2.475 1.00 1.36 H new ATOM 0 HD12 LEU A 62 -12.719 0.235 1.611 1.00 1.36 H new ATOM 0 HD13 LEU A 62 -11.436 -0.708 0.814 1.00 1.36 H new ATOM 0 HD21 LEU A 62 -9.629 -0.871 3.324 1.00 1.32 H new ATOM 0 HD22 LEU A 62 -9.027 -0.481 1.696 1.00 1.32 H new ATOM 0 HD23 LEU A 62 -8.722 0.635 3.048 1.00 1.32 H new ATOM 989 N ASP A 63 -9.901 3.519 -1.249 1.00 1.20 N ATOM 990 CA ASP A 63 -10.366 4.659 -2.041 1.00 1.33 C ATOM 991 C ASP A 63 -11.292 5.526 -1.212 1.00 1.52 C ATOM 992 O ASP A 63 -11.213 6.752 -1.241 1.00 2.14 O ATOM 993 CB ASP A 63 -11.033 4.231 -3.345 1.00 1.34 C ATOM 994 CG ASP A 63 -11.724 5.380 -4.060 1.00 1.60 C ATOM 995 OD1 ASP A 63 -11.019 6.285 -4.556 1.00 1.69 O ATOM 996 OD2 ASP A 63 -12.973 5.389 -4.125 1.00 1.88 O ATOM 0 H ASP A 63 -8.989 3.683 -0.824 1.00 1.20 H new ATOM 0 HA ASP A 63 -9.490 5.243 -2.321 1.00 1.33 H new ATOM 0 HB2 ASP A 63 -10.283 3.797 -4.006 1.00 1.34 H new ATOM 0 HB3 ASP A 63 -11.763 3.449 -3.135 1.00 1.34 H new ATOM 1001 N GLU A 64 -12.129 4.881 -0.428 1.00 1.62 N ATOM 1002 CA GLU A 64 -13.056 5.597 0.431 1.00 1.93 C ATOM 1003 C GLU A 64 -12.490 5.749 1.848 1.00 1.82 C ATOM 1004 O GLU A 64 -13.052 6.475 2.668 1.00 2.06 O ATOM 1005 CB GLU A 64 -14.418 4.902 0.456 1.00 2.31 C ATOM 1006 CG GLU A 64 -15.515 5.768 1.052 1.00 2.80 C ATOM 1007 CD GLU A 64 -16.901 5.208 0.829 1.00 3.36 C ATOM 1008 OE1 GLU A 64 -17.451 5.398 -0.276 1.00 3.77 O ATOM 1009 OE2 GLU A 64 -17.432 4.560 1.752 1.00 3.80 O ATOM 0 H GLU A 64 -12.189 3.865 -0.365 1.00 1.62 H new ATOM 0 HA GLU A 64 -13.194 6.597 0.020 1.00 1.93 H new ATOM 0 HB2 GLU A 64 -14.696 4.622 -0.560 1.00 2.31 H new ATOM 0 HB3 GLU A 64 -14.338 3.979 1.031 1.00 2.31 H new ATOM 0 HG2 GLU A 64 -15.342 5.877 2.123 1.00 2.80 H new ATOM 0 HG3 GLU A 64 -15.459 6.766 0.617 1.00 2.80 H new ATOM 1016 N ALA A 65 -11.368 5.084 2.131 1.00 1.56 N ATOM 1017 CA ALA A 65 -10.702 5.243 3.427 1.00 1.58 C ATOM 1018 C ALA A 65 -10.242 6.683 3.592 1.00 1.62 C ATOM 1019 O ALA A 65 -10.365 7.276 4.659 1.00 1.76 O ATOM 1020 CB ALA A 65 -9.512 4.298 3.556 1.00 1.52 C ATOM 0 H ALA A 65 -10.906 4.438 1.491 1.00 1.56 H new ATOM 0 HA ALA A 65 -11.416 4.994 4.212 1.00 1.58 H new ATOM 0 HB1 ALA A 65 -9.039 4.439 4.528 1.00 1.52 H new ATOM 0 HB2 ALA A 65 -9.855 3.267 3.466 1.00 1.52 H new ATOM 0 HB3 ALA A 65 -8.791 4.511 2.767 1.00 1.52 H new ATOM 1026 N LEU A 66 -9.723 7.226 2.509 1.00 1.64 N ATOM 1027 CA LEU A 66 -9.278 8.612 2.471 1.00 1.88 C ATOM 1028 C LEU A 66 -10.448 9.535 2.149 1.00 2.10 C ATOM 1029 O LEU A 66 -10.444 10.720 2.483 1.00 2.36 O ATOM 1030 CB LEU A 66 -8.184 8.774 1.424 1.00 2.16 C ATOM 1031 CG LEU A 66 -7.024 7.795 1.566 1.00 1.52 C ATOM 1032 CD1 LEU A 66 -7.078 6.731 0.479 1.00 1.76 C ATOM 1033 CD2 LEU A 66 -5.707 8.538 1.539 1.00 1.84 C ATOM 0 H LEU A 66 -9.596 6.724 1.630 1.00 1.64 H new ATOM 0 HA LEU A 66 -8.880 8.881 3.450 1.00 1.88 H new ATOM 0 HB2 LEU A 66 -8.625 8.654 0.434 1.00 2.16 H new ATOM 0 HB3 LEU A 66 -7.794 9.790 1.478 1.00 2.16 H new ATOM 0 HG LEU A 66 -7.111 7.289 2.527 1.00 1.52 H new ATOM 0 HD11 LEU A 66 -6.241 6.044 0.601 1.00 1.76 H new ATOM 0 HD12 LEU A 66 -8.015 6.179 0.556 1.00 1.76 H new ATOM 0 HD13 LEU A 66 -7.017 7.207 -0.500 1.00 1.76 H new ATOM 0 HD21 LEU A 66 -4.886 7.828 1.641 1.00 1.84 H new ATOM 0 HD22 LEU A 66 -5.610 9.071 0.593 1.00 1.84 H new ATOM 0 HD23 LEU A 66 -5.675 9.251 2.363 1.00 1.84 H new ATOM 1045 N ARG A 67 -11.449 8.969 1.488 1.00 2.14 N ATOM 1046 CA ARG A 67 -12.638 9.715 1.094 1.00 2.52 C ATOM 1047 C ARG A 67 -13.451 10.137 2.319 1.00 2.72 C ATOM 1048 O ARG A 67 -13.637 11.327 2.566 1.00 3.05 O ATOM 1049 CB ARG A 67 -13.502 8.869 0.159 1.00 2.77 C ATOM 1050 CG ARG A 67 -14.664 9.622 -0.445 1.00 3.00 C ATOM 1051 CD ARG A 67 -15.573 8.704 -1.243 1.00 3.22 C ATOM 1052 NE ARG A 67 -16.665 9.445 -1.861 1.00 3.39 N ATOM 1053 CZ ARG A 67 -17.874 8.945 -2.098 1.00 3.94 C ATOM 1054 NH1 ARG A 67 -18.164 7.689 -1.774 1.00 4.45 N ATOM 1055 NH2 ARG A 67 -18.800 9.707 -2.661 1.00 4.37 N ATOM 0 H ARG A 67 -11.461 7.987 1.211 1.00 2.14 H new ATOM 0 HA ARG A 67 -12.317 10.615 0.570 1.00 2.52 H new ATOM 0 HB2 ARG A 67 -12.877 8.479 -0.644 1.00 2.77 H new ATOM 0 HB3 ARG A 67 -13.885 8.010 0.711 1.00 2.77 H new ATOM 0 HG2 ARG A 67 -15.237 10.103 0.347 1.00 3.00 H new ATOM 0 HG3 ARG A 67 -14.288 10.414 -1.092 1.00 3.00 H new ATOM 0 HD2 ARG A 67 -14.994 8.196 -2.014 1.00 3.22 H new ATOM 0 HD3 ARG A 67 -15.979 7.932 -0.589 1.00 3.22 H new ATOM 0 HE ARG A 67 -16.490 10.413 -2.130 1.00 3.39 H new ATOM 0 HH11 ARG A 67 -17.456 7.098 -1.339 1.00 4.45 H new ATOM 0 HH12 ARG A 67 -19.095 7.316 -1.961 1.00 4.45 H new ATOM 0 HH21 ARG A 67 -18.584 10.672 -2.910 1.00 4.37 H new ATOM 0 HH22 ARG A 67 -19.729 9.329 -2.845 1.00 4.37 H new ATOM 1069 N LYS A 68 -13.933 9.164 3.086 1.00 2.79 N ATOM 1070 CA LYS A 68 -14.714 9.469 4.279 1.00 3.26 C ATOM 1071 C LYS A 68 -13.782 9.738 5.451 1.00 3.31 C ATOM 1072 O LYS A 68 -12.611 9.355 5.427 1.00 3.49 O ATOM 1073 CB LYS A 68 -15.685 8.336 4.630 1.00 3.73 C ATOM 1074 CG LYS A 68 -16.618 7.949 3.494 1.00 4.12 C ATOM 1075 CD LYS A 68 -17.936 7.371 4.001 1.00 4.65 C ATOM 1076 CE LYS A 68 -17.742 6.200 4.958 1.00 5.37 C ATOM 1077 NZ LYS A 68 -17.039 5.053 4.327 1.00 5.92 N ATOM 0 H LYS A 68 -13.799 8.169 2.906 1.00 2.79 H new ATOM 0 HA LYS A 68 -15.308 10.359 4.070 1.00 3.26 H new ATOM 0 HB2 LYS A 68 -15.111 7.459 4.930 1.00 3.73 H new ATOM 0 HB3 LYS A 68 -16.282 8.636 5.491 1.00 3.73 H new ATOM 0 HG2 LYS A 68 -16.821 8.825 2.878 1.00 4.12 H new ATOM 0 HG3 LYS A 68 -16.125 7.217 2.854 1.00 4.12 H new ATOM 0 HD2 LYS A 68 -18.501 8.155 4.505 1.00 4.65 H new ATOM 0 HD3 LYS A 68 -18.534 7.043 3.151 1.00 4.65 H new ATOM 0 HE2 LYS A 68 -17.174 6.536 5.826 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -18.715 5.869 5.322 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -17.463 4.162 4.656 1.00 5.92 H new ATOM 0 HZ2 LYS A 68 -17.128 5.117 3.293 1.00 5.92 H new ATOM 0 HZ3 LYS A 68 -16.033 5.075 4.590 1.00 5.92 H new ATOM 1091 N GLY A 69 -14.302 10.388 6.477 1.00 3.64 N ATOM 1092 CA GLY A 69 -13.483 10.777 7.604 1.00 4.05 C ATOM 1093 C GLY A 69 -13.313 12.275 7.655 1.00 4.58 C ATOM 1094 O GLY A 69 -12.473 12.794 8.385 1.00 5.06 O ATOM 0 H GLY A 69 -15.284 10.655 6.550 1.00 3.64 H new ATOM 0 HA2 GLY A 69 -13.941 10.427 8.529 1.00 4.05 H new ATOM 0 HA3 GLY A 69 -12.506 10.299 7.531 1.00 4.05 H new ATOM 1098 N HIS A 70 -14.126 12.968 6.863 1.00 4.87 N ATOM 1099 CA HIS A 70 -14.098 14.425 6.784 1.00 5.68 C ATOM 1100 C HIS A 70 -15.278 14.925 5.960 1.00 6.44 C ATOM 1101 O HIS A 70 -15.974 15.856 6.362 1.00 6.88 O ATOM 1102 CB HIS A 70 -12.765 14.952 6.211 1.00 5.88 C ATOM 1103 CG HIS A 70 -12.340 14.353 4.900 1.00 5.93 C ATOM 1104 ND1 HIS A 70 -12.576 14.950 3.679 1.00 6.60 N ATOM 1105 CD2 HIS A 70 -11.663 13.212 4.631 1.00 5.65 C ATOM 1106 CE1 HIS A 70 -12.061 14.204 2.719 1.00 6.67 C ATOM 1107 NE2 HIS A 70 -11.502 13.144 3.271 1.00 6.10 N ATOM 0 H HIS A 70 -14.823 12.535 6.257 1.00 4.87 H new ATOM 0 HA HIS A 70 -14.181 14.814 7.799 1.00 5.68 H new ATOM 0 HB2 HIS A 70 -12.845 16.032 6.088 1.00 5.88 H new ATOM 0 HB3 HIS A 70 -11.979 14.772 6.944 1.00 5.88 H new ATOM 0 HD2 HIS A 70 -11.314 12.489 5.354 1.00 5.65 H new ATOM 0 HE1 HIS A 70 -12.092 14.424 1.662 1.00 6.67 H new ATOM 0 HE2 HIS A 70 -11.027 12.395 2.767 1.00 6.10 H new ATOM 1116 N SER A 71 -15.508 14.301 4.816 1.00 6.86 N ATOM 1117 CA SER A 71 -16.670 14.608 4.002 1.00 7.78 C ATOM 1118 C SER A 71 -17.732 13.527 4.182 1.00 8.28 C ATOM 1119 O SER A 71 -17.890 12.636 3.347 1.00 8.52 O ATOM 1120 CB SER A 71 -16.263 14.754 2.535 1.00 8.22 C ATOM 1121 OG SER A 71 -15.239 13.830 2.193 1.00 8.32 O ATOM 0 H SER A 71 -14.902 13.577 4.430 1.00 6.86 H new ATOM 0 HA SER A 71 -17.097 15.557 4.325 1.00 7.78 H new ATOM 0 HB2 SER A 71 -17.131 14.592 1.896 1.00 8.22 H new ATOM 0 HB3 SER A 71 -15.916 15.771 2.350 1.00 8.22 H new ATOM 0 HG SER A 71 -14.998 13.943 1.250 1.00 8.32 H new ATOM 1127 N GLU A 72 -18.437 13.601 5.301 1.00 8.69 N ATOM 1128 CA GLU A 72 -19.400 12.575 5.671 1.00 9.41 C ATOM 1129 C GLU A 72 -20.719 12.812 4.952 1.00 10.13 C ATOM 1130 O GLU A 72 -21.380 11.873 4.500 1.00 10.75 O ATOM 1131 CB GLU A 72 -19.617 12.588 7.185 1.00 9.75 C ATOM 1132 CG GLU A 72 -18.325 12.690 7.986 1.00 9.88 C ATOM 1133 CD GLU A 72 -17.365 11.549 7.720 1.00 10.01 C ATOM 1134 OE1 GLU A 72 -16.645 11.592 6.704 1.00 9.88 O ATOM 1135 OE2 GLU A 72 -17.315 10.610 8.539 1.00 10.45 O ATOM 0 H GLU A 72 -18.359 14.365 5.972 1.00 8.69 H new ATOM 0 HA GLU A 72 -19.011 11.600 5.376 1.00 9.41 H new ATOM 0 HB2 GLU A 72 -20.262 13.427 7.444 1.00 9.75 H new ATOM 0 HB3 GLU A 72 -20.144 11.679 7.476 1.00 9.75 H new ATOM 0 HG2 GLU A 72 -17.832 13.633 7.750 1.00 9.88 H new ATOM 0 HG3 GLU A 72 -18.565 12.714 9.049 1.00 9.88 H new ATOM 1142 N GLY A 73 -21.086 14.077 4.850 1.00 10.25 N ATOM 1143 CA GLY A 73 -22.287 14.458 4.146 1.00 11.09 C ATOM 1144 C GLY A 73 -22.089 15.741 3.377 1.00 11.37 C ATOM 1145 O GLY A 73 -21.028 16.365 3.470 1.00 11.62 O ATOM 0 H GLY A 73 -20.564 14.857 5.249 1.00 10.25 H new ATOM 0 HA2 GLY A 73 -22.577 13.662 3.460 1.00 11.09 H new ATOM 0 HA3 GLY A 73 -23.104 14.580 4.857 1.00 11.09 H new ATOM 1149 N GLY A 74 -23.090 16.143 2.620 1.00 11.55 N ATOM 1150 CA GLY A 74 -22.976 17.347 1.833 1.00 12.06 C ATOM 1151 C GLY A 74 -24.271 17.695 1.144 1.00 12.56 C ATOM 1152 O GLY A 74 -24.515 18.891 0.894 1.00 12.99 O ATOM 1153 OXT GLY A 74 -25.056 16.768 0.853 1.00 12.71 O ATOM 0 H GLY A 74 -23.983 15.657 2.535 1.00 11.55 H new ATOM 0 HA2 GLY A 74 -22.674 18.173 2.476 1.00 12.06 H new ATOM 0 HA3 GLY A 74 -22.191 17.220 1.087 1.00 12.06 H new TER 1157 GLY A 74