USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 ASN :FLIP amide:sc= -1.61 F(o=-4.4!,f=-1.6) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 102:sc= 1.01 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc= 0.658 (180deg=0.329) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -148:sc= 1.3 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -166:sc= -0.257 (180deg=-0.688) USER MOD Single : A 34 MET CE :methyl -139:sc= -1.16 (180deg=-2.59!) USER MOD Single : A 40 THR OG1 : rot 103:sc= 1.31 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -158:sc= -0.183 (180deg=-0.833) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00927 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0548 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.571 2.028 10.391 1.00 71.43 N ATOM 57 CA GLY A 4 6.937 1.965 9.087 1.00 40.31 C ATOM 58 C GLY A 4 7.379 0.763 8.278 1.00 24.12 C ATOM 59 O GLY A 4 8.579 0.517 8.116 1.00 61.24 O ATOM 0 HA2 GLY A 4 5.855 1.933 9.215 1.00 40.31 H new ATOM 0 HA3 GLY A 4 7.166 2.875 8.532 1.00 40.31 H new ATOM 63 N ILE A 5 6.411 0.012 7.784 1.00 51.20 N ATOM 64 CA ILE A 5 6.690 -1.189 7.019 1.00 21.45 C ATOM 65 C ILE A 5 6.327 -0.981 5.563 1.00 62.14 C ATOM 66 O ILE A 5 5.731 0.031 5.204 1.00 1.04 O ATOM 67 CB ILE A 5 5.914 -2.410 7.561 1.00 42.51 C ATOM 68 CG1 ILE A 5 4.411 -2.112 7.607 1.00 12.42 C ATOM 69 CG2 ILE A 5 6.435 -2.800 8.936 1.00 14.34 C ATOM 70 CD1 ILE A 5 3.563 -3.293 8.033 1.00 4.12 C ATOM 0 H ILE A 5 5.418 0.215 7.900 1.00 51.20 H new ATOM 0 HA ILE A 5 7.757 -1.389 7.114 1.00 21.45 H new ATOM 0 HB ILE A 5 6.071 -3.252 6.887 1.00 42.51 H new ATOM 0 HG12 ILE A 5 4.236 -1.285 8.295 1.00 12.42 H new ATOM 0 HG13 ILE A 5 4.086 -1.781 6.621 1.00 12.42 H new ATOM 0 HG21 ILE A 5 5.879 -3.662 9.305 1.00 14.34 H new ATOM 0 HG22 ILE A 5 7.493 -3.054 8.866 1.00 14.34 H new ATOM 0 HG23 ILE A 5 6.307 -1.964 9.624 1.00 14.34 H new ATOM 0 HD11 ILE A 5 2.512 -3.003 8.041 1.00 4.12 H new ATOM 0 HD12 ILE A 5 3.707 -4.116 7.333 1.00 4.12 H new ATOM 0 HD13 ILE A 5 3.859 -3.612 9.033 1.00 4.12 H new ATOM 82 N GLY A 6 6.693 -1.932 4.731 1.00 23.44 N ATOM 83 CA GLY A 6 6.345 -1.856 3.339 1.00 43.42 C ATOM 84 C GLY A 6 4.898 -2.222 3.117 1.00 10.31 C ATOM 85 O GLY A 6 4.316 -2.979 3.894 1.00 43.24 O ATOM 0 H GLY A 6 7.228 -2.759 4.997 1.00 23.44 H new ATOM 0 HA2 GLY A 6 6.528 -0.847 2.970 1.00 43.42 H new ATOM 0 HA3 GLY A 6 6.985 -2.526 2.765 1.00 43.42 H new ATOM 89 N LEU A 7 4.321 -1.692 2.060 1.00 2.00 N ATOM 90 CA LEU A 7 2.941 -1.980 1.696 1.00 33.21 C ATOM 91 C LEU A 7 2.746 -3.480 1.459 1.00 34.31 C ATOM 92 O LEU A 7 1.659 -4.019 1.654 1.00 73.30 O ATOM 93 CB LEU A 7 2.583 -1.183 0.441 1.00 51.54 C ATOM 94 CG LEU A 7 1.140 -1.300 -0.039 1.00 13.05 C ATOM 95 CD1 LEU A 7 0.176 -0.819 1.035 1.00 62.42 C ATOM 96 CD2 LEU A 7 0.959 -0.503 -1.319 1.00 75.40 C ATOM 0 H LEU A 7 4.792 -1.048 1.425 1.00 2.00 H new ATOM 0 HA LEU A 7 2.281 -1.687 2.512 1.00 33.21 H new ATOM 0 HB2 LEU A 7 2.798 -0.131 0.630 1.00 51.54 H new ATOM 0 HB3 LEU A 7 3.241 -1.502 -0.368 1.00 51.54 H new ATOM 0 HG LEU A 7 0.919 -2.348 -0.242 1.00 13.05 H new ATOM 0 HD11 LEU A 7 -0.848 -0.911 0.672 1.00 62.42 H new ATOM 0 HD12 LEU A 7 0.299 -1.425 1.932 1.00 62.42 H new ATOM 0 HD13 LEU A 7 0.385 0.224 1.271 1.00 62.42 H new ATOM 0 HD21 LEU A 7 -0.073 -0.589 -1.658 1.00 75.40 H new ATOM 0 HD22 LEU A 7 1.193 0.545 -1.131 1.00 75.40 H new ATOM 0 HD23 LEU A 7 1.627 -0.892 -2.087 1.00 75.40 H new ATOM 108 N ASN A 8 3.821 -4.147 1.047 1.00 54.22 N ATOM 109 CA ASN A 8 3.797 -5.592 0.813 1.00 4.24 C ATOM 110 C ASN A 8 3.808 -6.381 2.124 1.00 32.22 C ATOM 111 O ASN A 8 3.708 -7.606 2.117 1.00 73.33 O ATOM 112 CB ASN A 8 4.989 -6.028 -0.058 1.00 60.43 C ATOM 113 CG ASN A 8 6.334 -6.019 0.664 1.00 1.44 C ATOM 114 OD1 ASN A 8 6.539 -5.072 1.570 1.00 24.33 O flip ATOM 115 ND2 ASN A 8 7.193 -6.858 0.396 1.00 21.30 N flip ATOM 0 H ASN A 8 4.725 -3.709 0.867 1.00 54.22 H new ATOM 0 HA ASN A 8 2.867 -5.811 0.288 1.00 4.24 H new ATOM 0 HB2 ASN A 8 4.799 -7.033 -0.435 1.00 60.43 H new ATOM 0 HB3 ASN A 8 5.051 -5.369 -0.924 1.00 60.43 H new ATOM 0 HD21 ASN A 8 7.005 -7.574 -0.306 1.00 21.30 H new ATOM 0 HD22 ASN A 8 8.093 -6.838 0.876 1.00 21.30 H new ATOM 122 N GLU A 9 3.930 -5.681 3.246 1.00 24.22 N ATOM 123 CA GLU A 9 4.001 -6.325 4.544 1.00 24.10 C ATOM 124 C GLU A 9 2.663 -6.231 5.269 1.00 21.05 C ATOM 125 O GLU A 9 2.542 -6.628 6.433 1.00 10.34 O ATOM 126 CB GLU A 9 5.103 -5.676 5.378 1.00 34.44 C ATOM 127 CG GLU A 9 6.491 -5.871 4.798 1.00 70.32 C ATOM 128 CD GLU A 9 7.578 -5.227 5.632 1.00 60.22 C ATOM 129 OE1 GLU A 9 8.015 -5.841 6.623 1.00 72.20 O ATOM 130 OE2 GLU A 9 8.013 -4.110 5.295 1.00 12.34 O ATOM 0 H GLU A 9 3.982 -4.663 3.278 1.00 24.22 H new ATOM 0 HA GLU A 9 4.233 -7.380 4.400 1.00 24.10 H new ATOM 0 HB2 GLU A 9 4.901 -4.609 5.466 1.00 34.44 H new ATOM 0 HB3 GLU A 9 5.077 -6.090 6.386 1.00 34.44 H new ATOM 0 HG2 GLU A 9 6.694 -6.938 4.708 1.00 70.32 H new ATOM 0 HG3 GLU A 9 6.519 -5.455 3.791 1.00 70.32 H new ATOM 137 N VAL A 10 1.662 -5.711 4.577 1.00 25.42 N ATOM 138 CA VAL A 10 0.338 -5.543 5.152 1.00 11.24 C ATOM 139 C VAL A 10 -0.557 -6.716 4.753 1.00 55.41 C ATOM 140 O VAL A 10 -0.303 -7.387 3.753 1.00 52.13 O ATOM 141 CB VAL A 10 -0.308 -4.217 4.686 1.00 51.03 C ATOM 142 CG1 VAL A 10 -1.540 -3.883 5.510 1.00 61.13 C ATOM 143 CG2 VAL A 10 0.697 -3.073 4.739 1.00 22.25 C ATOM 0 H VAL A 10 1.743 -5.396 3.610 1.00 25.42 H new ATOM 0 HA VAL A 10 0.442 -5.514 6.237 1.00 11.24 H new ATOM 0 HB VAL A 10 -0.622 -4.351 3.651 1.00 51.03 H new ATOM 0 HG11 VAL A 10 -1.970 -2.946 5.157 1.00 61.13 H new ATOM 0 HG12 VAL A 10 -2.275 -4.681 5.406 1.00 61.13 H new ATOM 0 HG13 VAL A 10 -1.260 -3.782 6.559 1.00 61.13 H new ATOM 0 HG21 VAL A 10 0.218 -2.152 4.406 1.00 22.25 H new ATOM 0 HG22 VAL A 10 1.053 -2.948 5.762 1.00 22.25 H new ATOM 0 HG23 VAL A 10 1.540 -3.299 4.087 1.00 22.25 H new ATOM 153 N GLU A 11 -1.599 -6.963 5.532 1.00 30.43 N ATOM 154 CA GLU A 11 -2.514 -8.061 5.257 1.00 64.44 C ATOM 155 C GLU A 11 -3.766 -7.545 4.563 1.00 53.21 C ATOM 156 O GLU A 11 -4.036 -6.343 4.568 1.00 71.24 O ATOM 157 CB GLU A 11 -2.883 -8.782 6.555 1.00 11.30 C ATOM 158 CG GLU A 11 -3.564 -10.123 6.348 1.00 23.21 C ATOM 159 CD GLU A 11 -2.718 -11.082 5.541 1.00 12.11 C ATOM 160 OE1 GLU A 11 -1.888 -11.795 6.140 1.00 63.25 O ATOM 161 OE2 GLU A 11 -2.878 -11.126 4.302 1.00 34.21 O ATOM 0 H GLU A 11 -1.833 -6.417 6.361 1.00 30.43 H new ATOM 0 HA GLU A 11 -2.018 -8.770 4.595 1.00 64.44 H new ATOM 0 HB2 GLU A 11 -1.978 -8.933 7.144 1.00 11.30 H new ATOM 0 HB3 GLU A 11 -3.540 -8.139 7.141 1.00 11.30 H new ATOM 0 HG2 GLU A 11 -3.787 -10.568 7.318 1.00 23.21 H new ATOM 0 HG3 GLU A 11 -4.517 -9.969 5.841 1.00 23.21 H new ATOM 168 N ILE A 12 -4.531 -8.456 3.984 1.00 71.55 N ATOM 169 CA ILE A 12 -5.738 -8.095 3.255 1.00 25.44 C ATOM 170 C ILE A 12 -6.820 -7.591 4.203 1.00 5.34 C ATOM 171 O ILE A 12 -6.872 -7.991 5.368 1.00 32.41 O ATOM 172 CB ILE A 12 -6.290 -9.274 2.426 1.00 45.12 C ATOM 173 CG1 ILE A 12 -6.638 -10.463 3.329 1.00 43.05 C ATOM 174 CG2 ILE A 12 -5.280 -9.684 1.367 1.00 12.04 C ATOM 175 CD1 ILE A 12 -7.327 -11.595 2.596 1.00 71.40 C ATOM 0 H ILE A 12 -4.337 -9.457 4.005 1.00 71.55 H new ATOM 0 HA ILE A 12 -5.459 -7.296 2.568 1.00 25.44 H new ATOM 0 HB ILE A 12 -7.206 -8.950 1.932 1.00 45.12 H new ATOM 0 HG12 ILE A 12 -5.724 -10.840 3.788 1.00 43.05 H new ATOM 0 HG13 ILE A 12 -7.282 -10.119 4.138 1.00 43.05 H new ATOM 0 HG21 ILE A 12 -5.678 -10.517 0.787 1.00 12.04 H new ATOM 0 HG22 ILE A 12 -5.085 -8.841 0.704 1.00 12.04 H new ATOM 0 HG23 ILE A 12 -4.351 -9.989 1.849 1.00 12.04 H new ATOM 0 HD11 ILE A 12 -7.544 -12.402 3.295 1.00 71.40 H new ATOM 0 HD12 ILE A 12 -8.258 -11.233 2.160 1.00 71.40 H new ATOM 0 HD13 ILE A 12 -6.676 -11.966 1.805 1.00 71.40 H new ATOM 187 N LYS A 13 -7.674 -6.714 3.686 1.00 42.21 N ATOM 188 CA LYS A 13 -8.735 -6.078 4.462 1.00 21.41 C ATOM 189 C LYS A 13 -8.145 -5.276 5.619 1.00 12.23 C ATOM 190 O LYS A 13 -8.538 -5.419 6.780 1.00 35.22 O ATOM 191 CB LYS A 13 -9.754 -7.115 4.949 1.00 62.15 C ATOM 192 CG LYS A 13 -11.028 -6.502 5.511 1.00 10.21 C ATOM 193 CD LYS A 13 -12.126 -7.542 5.658 1.00 4.24 C ATOM 194 CE LYS A 13 -12.562 -8.078 4.303 1.00 35.11 C ATOM 195 NZ LYS A 13 -13.610 -9.126 4.423 1.00 43.42 N ATOM 0 H LYS A 13 -7.650 -6.422 2.709 1.00 42.21 H new ATOM 0 HA LYS A 13 -9.268 -5.381 3.815 1.00 21.41 H new ATOM 0 HB2 LYS A 13 -10.013 -7.774 4.120 1.00 62.15 H new ATOM 0 HB3 LYS A 13 -9.290 -7.735 5.716 1.00 62.15 H new ATOM 0 HG2 LYS A 13 -10.819 -6.051 6.481 1.00 10.21 H new ATOM 0 HG3 LYS A 13 -11.369 -5.701 4.854 1.00 10.21 H new ATOM 0 HD2 LYS A 13 -11.771 -8.364 6.280 1.00 4.24 H new ATOM 0 HD3 LYS A 13 -12.981 -7.101 6.170 1.00 4.24 H new ATOM 0 HE2 LYS A 13 -12.940 -7.257 3.694 1.00 35.11 H new ATOM 0 HE3 LYS A 13 -11.698 -8.489 3.782 1.00 35.11 H new ATOM 0 HZ1 LYS A 13 -13.876 -9.461 3.475 1.00 43.42 H new ATOM 0 HZ2 LYS A 13 -13.242 -9.922 4.982 1.00 43.42 H new ATOM 0 HZ3 LYS A 13 -14.446 -8.728 4.896 1.00 43.42 H new ATOM 209 N SER A 14 -7.189 -4.424 5.283 1.00 41.21 N ATOM 210 CA SER A 14 -6.556 -3.554 6.252 1.00 70.14 C ATOM 211 C SER A 14 -6.502 -2.131 5.709 1.00 64.42 C ATOM 212 O SER A 14 -6.486 -1.923 4.496 1.00 54.53 O ATOM 213 CB SER A 14 -5.143 -4.048 6.563 1.00 10.31 C ATOM 214 OG SER A 14 -5.144 -5.423 6.924 1.00 62.42 O ATOM 0 H SER A 14 -6.833 -4.319 4.333 1.00 41.21 H new ATOM 0 HA SER A 14 -7.141 -3.565 7.172 1.00 70.14 H new ATOM 0 HB2 SER A 14 -4.504 -3.899 5.693 1.00 10.31 H new ATOM 0 HB3 SER A 14 -4.719 -3.457 7.375 1.00 10.31 H new ATOM 0 HG SER A 14 -4.848 -5.962 6.161 1.00 62.42 H new ATOM 220 N LYS A 15 -6.482 -1.159 6.604 1.00 3.43 N ATOM 221 CA LYS A 15 -6.426 0.237 6.204 1.00 24.20 C ATOM 222 C LYS A 15 -5.096 0.843 6.631 1.00 65.35 C ATOM 223 O LYS A 15 -4.766 0.869 7.817 1.00 5.04 O ATOM 224 CB LYS A 15 -7.597 1.004 6.821 1.00 4.14 C ATOM 225 CG LYS A 15 -7.779 2.414 6.281 1.00 50.22 C ATOM 226 CD LYS A 15 -9.064 3.037 6.808 1.00 20.35 C ATOM 227 CE LYS A 15 -9.295 4.428 6.238 1.00 53.25 C ATOM 228 NZ LYS A 15 -8.280 5.398 6.720 1.00 35.45 N ATOM 0 H LYS A 15 -6.504 -1.310 7.613 1.00 3.43 H new ATOM 0 HA LYS A 15 -6.505 0.306 5.119 1.00 24.20 H new ATOM 0 HB2 LYS A 15 -8.515 0.441 6.650 1.00 4.14 H new ATOM 0 HB3 LYS A 15 -7.452 1.057 7.900 1.00 4.14 H new ATOM 0 HG2 LYS A 15 -6.927 3.030 6.568 1.00 50.22 H new ATOM 0 HG3 LYS A 15 -7.802 2.390 5.192 1.00 50.22 H new ATOM 0 HD2 LYS A 15 -9.909 2.396 6.555 1.00 20.35 H new ATOM 0 HD3 LYS A 15 -9.021 3.093 7.896 1.00 20.35 H new ATOM 0 HE2 LYS A 15 -9.267 4.384 5.149 1.00 53.25 H new ATOM 0 HE3 LYS A 15 -10.290 4.774 6.517 1.00 53.25 H new ATOM 0 HZ1 LYS A 15 -8.547 6.358 6.421 1.00 35.45 H new ATOM 0 HZ2 LYS A 15 -8.229 5.360 7.758 1.00 35.45 H new ATOM 0 HZ3 LYS A 15 -7.351 5.157 6.319 1.00 35.45 H new ATOM 242 N VAL A 16 -4.328 1.304 5.659 1.00 63.11 N ATOM 243 CA VAL A 16 -3.010 1.879 5.920 1.00 65.41 C ATOM 244 C VAL A 16 -2.864 3.217 5.215 1.00 33.21 C ATOM 245 O VAL A 16 -3.786 3.673 4.543 1.00 64.44 O ATOM 246 CB VAL A 16 -1.870 0.937 5.468 1.00 3.02 C ATOM 247 CG1 VAL A 16 -1.874 -0.343 6.288 1.00 62.22 C ATOM 248 CG2 VAL A 16 -1.986 0.620 3.982 1.00 10.04 C ATOM 0 H VAL A 16 -4.593 1.293 4.674 1.00 63.11 H new ATOM 0 HA VAL A 16 -2.931 2.020 6.998 1.00 65.41 H new ATOM 0 HB VAL A 16 -0.922 1.449 5.635 1.00 3.02 H new ATOM 0 HG11 VAL A 16 -1.064 -0.992 5.954 1.00 62.22 H new ATOM 0 HG12 VAL A 16 -1.734 -0.101 7.341 1.00 62.22 H new ATOM 0 HG13 VAL A 16 -2.827 -0.856 6.157 1.00 62.22 H new ATOM 0 HG21 VAL A 16 -1.173 -0.044 3.687 1.00 10.04 H new ATOM 0 HG22 VAL A 16 -2.941 0.133 3.787 1.00 10.04 H new ATOM 0 HG23 VAL A 16 -1.926 1.544 3.407 1.00 10.04 H new ATOM 258 N LYS A 17 -1.714 3.849 5.379 1.00 54.04 N ATOM 259 CA LYS A 17 -1.463 5.133 4.748 1.00 34.54 C ATOM 260 C LYS A 17 -0.020 5.243 4.290 1.00 23.03 C ATOM 261 O LYS A 17 0.893 4.747 4.952 1.00 15.04 O ATOM 262 CB LYS A 17 -1.792 6.272 5.709 1.00 44.43 C ATOM 263 CG LYS A 17 -1.538 7.655 5.131 1.00 61.04 C ATOM 264 CD LYS A 17 -2.084 8.752 6.027 1.00 75.03 C ATOM 265 CE LYS A 17 -1.307 8.872 7.326 1.00 72.31 C ATOM 266 NZ LYS A 17 -1.856 9.949 8.187 1.00 55.23 N ATOM 0 H LYS A 17 -0.941 3.495 5.943 1.00 54.04 H new ATOM 0 HA LYS A 17 -2.108 5.208 3.873 1.00 34.54 H new ATOM 0 HB2 LYS A 17 -2.839 6.197 6.001 1.00 44.43 H new ATOM 0 HB3 LYS A 17 -1.199 6.153 6.616 1.00 44.43 H new ATOM 0 HG2 LYS A 17 -0.467 7.799 4.992 1.00 61.04 H new ATOM 0 HG3 LYS A 17 -2.000 7.727 4.146 1.00 61.04 H new ATOM 0 HD2 LYS A 17 -2.050 9.703 5.496 1.00 75.03 H new ATOM 0 HD3 LYS A 17 -3.132 8.549 6.250 1.00 75.03 H new ATOM 0 HE2 LYS A 17 -1.341 7.923 7.861 1.00 72.31 H new ATOM 0 HE3 LYS A 17 -0.259 9.077 7.107 1.00 72.31 H new ATOM 0 HZ1 LYS A 17 -1.304 10.006 9.066 1.00 55.23 H new ATOM 0 HZ2 LYS A 17 -1.801 10.858 7.684 1.00 55.23 H new ATOM 0 HZ3 LYS A 17 -2.849 9.739 8.415 1.00 55.23 H new ATOM 280 N VAL A 18 0.173 5.910 3.164 1.00 62.11 N ATOM 281 CA VAL A 18 1.496 6.083 2.587 1.00 11.10 C ATOM 282 C VAL A 18 2.276 7.153 3.341 1.00 41.43 C ATOM 283 O VAL A 18 2.104 8.349 3.094 1.00 74.31 O ATOM 284 CB VAL A 18 1.421 6.473 1.094 1.00 63.23 C ATOM 285 CG1 VAL A 18 2.811 6.565 0.482 1.00 34.24 C ATOM 286 CG2 VAL A 18 0.560 5.488 0.322 1.00 12.33 C ATOM 0 H VAL A 18 -0.578 6.344 2.627 1.00 62.11 H new ATOM 0 HA VAL A 18 2.008 5.125 2.673 1.00 11.10 H new ATOM 0 HB VAL A 18 0.958 7.458 1.028 1.00 63.23 H new ATOM 0 HG11 VAL A 18 2.728 6.841 -0.569 1.00 34.24 H new ATOM 0 HG12 VAL A 18 3.392 7.320 1.011 1.00 34.24 H new ATOM 0 HG13 VAL A 18 3.310 5.599 0.565 1.00 34.24 H new ATOM 0 HG21 VAL A 18 0.522 5.782 -0.727 1.00 12.33 H new ATOM 0 HG22 VAL A 18 0.988 4.489 0.403 1.00 12.33 H new ATOM 0 HG23 VAL A 18 -0.449 5.485 0.735 1.00 12.33 H new ATOM 296 N ILE A 19 3.095 6.714 4.292 1.00 43.14 N ATOM 297 CA ILE A 19 4.003 7.609 5.002 1.00 1.42 C ATOM 298 C ILE A 19 4.917 8.318 4.010 1.00 45.45 C ATOM 299 O ILE A 19 5.071 9.541 4.047 1.00 61.22 O ATOM 300 CB ILE A 19 4.876 6.846 6.019 1.00 24.13 C ATOM 301 CG1 ILE A 19 4.008 6.066 7.008 1.00 64.31 C ATOM 302 CG2 ILE A 19 5.796 7.808 6.761 1.00 13.24 C ATOM 303 CD1 ILE A 19 4.810 5.317 8.054 1.00 61.33 C ATOM 0 H ILE A 19 3.148 5.740 4.590 1.00 43.14 H new ATOM 0 HA ILE A 19 3.391 8.333 5.540 1.00 1.42 H new ATOM 0 HB ILE A 19 5.490 6.132 5.470 1.00 24.13 H new ATOM 0 HG12 ILE A 19 3.329 6.757 7.508 1.00 64.31 H new ATOM 0 HG13 ILE A 19 3.391 5.356 6.457 1.00 64.31 H new ATOM 0 HG21 ILE A 19 6.405 7.252 7.474 1.00 13.24 H new ATOM 0 HG22 ILE A 19 6.446 8.314 6.047 1.00 13.24 H new ATOM 0 HG23 ILE A 19 5.197 8.547 7.293 1.00 13.24 H new ATOM 0 HD11 ILE A 19 4.131 4.786 8.722 1.00 61.33 H new ATOM 0 HD12 ILE A 19 5.470 4.601 7.563 1.00 61.33 H new ATOM 0 HD13 ILE A 19 5.407 6.024 8.630 1.00 61.33 H new ATOM 315 N GLY A 20 5.518 7.534 3.125 1.00 11.40 N ATOM 316 CA GLY A 20 6.369 8.086 2.101 1.00 30.21 C ATOM 317 C GLY A 20 7.033 7.015 1.271 1.00 65.13 C ATOM 318 O GLY A 20 7.312 5.915 1.752 1.00 74.11 O ATOM 0 H GLY A 20 5.427 6.518 3.102 1.00 11.40 H new ATOM 0 HA2 GLY A 20 5.780 8.733 1.451 1.00 30.21 H new ATOM 0 HA3 GLY A 20 7.133 8.710 2.564 1.00 30.21 H new ATOM 322 N ILE A 21 7.275 7.347 0.022 1.00 75.13 N ATOM 323 CA ILE A 21 7.961 6.471 -0.909 1.00 55.15 C ATOM 324 C ILE A 21 9.474 6.623 -0.734 1.00 42.54 C ATOM 325 O ILE A 21 9.933 7.621 -0.177 1.00 72.32 O ATOM 326 CB ILE A 21 7.535 6.799 -2.360 1.00 73.41 C ATOM 327 CG1 ILE A 21 6.012 6.688 -2.491 1.00 50.34 C ATOM 328 CG2 ILE A 21 8.221 5.883 -3.371 1.00 74.22 C ATOM 329 CD1 ILE A 21 5.486 7.002 -3.876 1.00 34.23 C ATOM 0 H ILE A 21 6.999 8.242 -0.382 1.00 75.13 H new ATOM 0 HA ILE A 21 7.689 5.436 -0.703 1.00 55.15 H new ATOM 0 HB ILE A 21 7.846 7.820 -2.580 1.00 73.41 H new ATOM 0 HG12 ILE A 21 5.707 5.677 -2.219 1.00 50.34 H new ATOM 0 HG13 ILE A 21 5.546 7.365 -1.775 1.00 50.34 H new ATOM 0 HG21 ILE A 21 7.896 6.145 -4.378 1.00 74.22 H new ATOM 0 HG22 ILE A 21 9.302 6.003 -3.296 1.00 74.22 H new ATOM 0 HG23 ILE A 21 7.955 4.847 -3.162 1.00 74.22 H new ATOM 0 HD11 ILE A 21 4.401 6.901 -3.885 1.00 34.23 H new ATOM 0 HD12 ILE A 21 5.757 8.023 -4.145 1.00 34.23 H new ATOM 0 HD13 ILE A 21 5.921 6.309 -4.596 1.00 34.23 H new ATOM 341 N VAL A 22 10.232 5.631 -1.186 1.00 13.34 N ATOM 342 CA VAL A 22 11.684 5.616 -1.038 1.00 42.20 C ATOM 343 C VAL A 22 12.347 6.077 -2.335 1.00 15.20 C ATOM 344 O VAL A 22 12.498 5.300 -3.273 1.00 34.42 O ATOM 345 CB VAL A 22 12.210 4.214 -0.658 1.00 73.03 C ATOM 346 CG1 VAL A 22 13.717 4.241 -0.443 1.00 22.51 C ATOM 347 CG2 VAL A 22 11.502 3.689 0.584 1.00 30.14 C ATOM 0 H VAL A 22 9.858 4.813 -1.666 1.00 13.34 H new ATOM 0 HA VAL A 22 11.937 6.300 -0.228 1.00 42.20 H new ATOM 0 HB VAL A 22 11.995 3.538 -1.486 1.00 73.03 H new ATOM 0 HG11 VAL A 22 14.064 3.243 -0.176 1.00 22.51 H new ATOM 0 HG12 VAL A 22 14.210 4.564 -1.360 1.00 22.51 H new ATOM 0 HG13 VAL A 22 13.957 4.936 0.362 1.00 22.51 H new ATOM 0 HG21 VAL A 22 11.889 2.701 0.833 1.00 30.14 H new ATOM 0 HG22 VAL A 22 11.679 4.368 1.418 1.00 30.14 H new ATOM 0 HG23 VAL A 22 10.431 3.622 0.391 1.00 30.14 H new ATOM 357 N PRO A 23 12.653 7.389 -2.428 1.00 13.13 N ATOM 358 CA PRO A 23 13.159 8.030 -3.654 1.00 31.33 C ATOM 359 C PRO A 23 14.329 7.294 -4.312 1.00 41.23 C ATOM 360 O PRO A 23 14.984 6.456 -3.692 1.00 3.14 O ATOM 361 CB PRO A 23 13.610 9.410 -3.171 1.00 11.05 C ATOM 362 CG PRO A 23 12.769 9.681 -1.979 1.00 32.14 C ATOM 363 CD PRO A 23 12.571 8.351 -1.312 1.00 72.32 C ATOM 0 HA PRO A 23 12.390 8.045 -4.426 1.00 31.33 H new ATOM 0 HB2 PRO A 23 14.670 9.415 -2.918 1.00 11.05 H new ATOM 0 HB3 PRO A 23 13.463 10.167 -3.941 1.00 11.05 H new ATOM 0 HG2 PRO A 23 13.257 10.387 -1.307 1.00 32.14 H new ATOM 0 HG3 PRO A 23 11.814 10.122 -2.265 1.00 32.14 H new ATOM 0 HD2 PRO A 23 13.338 8.161 -0.561 1.00 72.32 H new ATOM 0 HD3 PRO A 23 11.608 8.296 -0.805 1.00 72.32 H new ATOM 371 N GLU A 24 14.588 7.654 -5.572 1.00 51.03 N ATOM 372 CA GLU A 24 15.603 7.015 -6.419 1.00 44.35 C ATOM 373 C GLU A 24 15.253 5.567 -6.781 1.00 42.51 C ATOM 374 O GLU A 24 15.879 4.980 -7.665 1.00 63.40 O ATOM 375 CB GLU A 24 16.994 7.071 -5.773 1.00 54.01 C ATOM 376 CG GLU A 24 18.123 6.930 -6.783 1.00 75.50 C ATOM 377 CD GLU A 24 19.497 6.951 -6.151 1.00 60.41 C ATOM 378 OE1 GLU A 24 19.951 5.894 -5.668 1.00 74.23 O ATOM 379 OE2 GLU A 24 20.141 8.021 -6.153 1.00 22.52 O ATOM 0 H GLU A 24 14.091 8.411 -6.042 1.00 51.03 H new ATOM 0 HA GLU A 24 15.619 7.590 -7.345 1.00 44.35 H new ATOM 0 HB2 GLU A 24 17.104 8.017 -5.242 1.00 54.01 H new ATOM 0 HB3 GLU A 24 17.076 6.277 -5.031 1.00 54.01 H new ATOM 0 HG2 GLU A 24 17.997 5.996 -7.331 1.00 75.50 H new ATOM 0 HG3 GLU A 24 18.053 7.738 -7.511 1.00 75.50 H new ATOM 386 N SER A 25 14.258 4.995 -6.123 1.00 11.33 N ATOM 387 CA SER A 25 13.823 3.651 -6.431 1.00 50.43 C ATOM 388 C SER A 25 13.268 3.572 -7.853 1.00 32.02 C ATOM 389 O SER A 25 12.797 4.569 -8.406 1.00 73.22 O ATOM 390 CB SER A 25 12.779 3.217 -5.414 1.00 31.31 C ATOM 391 OG SER A 25 13.386 2.526 -4.332 1.00 14.33 O ATOM 0 H SER A 25 13.738 5.446 -5.370 1.00 11.33 H new ATOM 0 HA SER A 25 14.677 2.975 -6.376 1.00 50.43 H new ATOM 0 HB2 SER A 25 12.244 4.090 -5.040 1.00 31.31 H new ATOM 0 HB3 SER A 25 12.042 2.574 -5.895 1.00 31.31 H new ATOM 0 HG SER A 25 12.763 1.855 -3.982 1.00 14.33 H new ATOM 397 N LYS A 26 13.315 2.382 -8.433 1.00 54.34 N ATOM 398 CA LYS A 26 12.944 2.189 -9.830 1.00 1.31 C ATOM 399 C LYS A 26 11.447 2.370 -10.058 1.00 70.44 C ATOM 400 O LYS A 26 11.003 2.561 -11.189 1.00 13.33 O ATOM 401 CB LYS A 26 13.388 0.805 -10.301 1.00 33.21 C ATOM 402 CG LYS A 26 14.871 0.732 -10.629 1.00 75.43 C ATOM 403 CD LYS A 26 15.191 1.562 -11.860 1.00 24.23 C ATOM 404 CE LYS A 26 16.684 1.631 -12.134 1.00 63.42 C ATOM 405 NZ LYS A 26 16.970 2.313 -13.422 1.00 54.10 N ATOM 0 H LYS A 26 13.608 1.530 -7.956 1.00 54.34 H new ATOM 0 HA LYS A 26 13.454 2.954 -10.415 1.00 1.31 H new ATOM 0 HB2 LYS A 26 13.157 0.073 -9.527 1.00 33.21 H new ATOM 0 HB3 LYS A 26 12.813 0.527 -11.184 1.00 33.21 H new ATOM 0 HG2 LYS A 26 15.454 1.091 -9.781 1.00 75.43 H new ATOM 0 HG3 LYS A 26 15.160 -0.305 -10.799 1.00 75.43 H new ATOM 0 HD2 LYS A 26 14.684 1.135 -12.725 1.00 24.23 H new ATOM 0 HD3 LYS A 26 14.801 2.571 -11.727 1.00 24.23 H new ATOM 0 HE2 LYS A 26 17.180 2.162 -11.322 1.00 63.42 H new ATOM 0 HE3 LYS A 26 17.098 0.623 -12.155 1.00 63.42 H new ATOM 0 HZ1 LYS A 26 17.998 2.343 -13.578 1.00 54.10 H new ATOM 0 HZ2 LYS A 26 16.517 1.791 -14.199 1.00 54.10 H new ATOM 0 HZ3 LYS A 26 16.596 3.283 -13.392 1.00 54.10 H new ATOM 419 N VAL A 27 10.673 2.314 -8.988 1.00 62.50 N ATOM 420 CA VAL A 27 9.235 2.491 -9.091 1.00 21.41 C ATOM 421 C VAL A 27 8.783 3.785 -8.420 1.00 14.32 C ATOM 422 O VAL A 27 7.592 4.063 -8.341 1.00 12.43 O ATOM 423 CB VAL A 27 8.473 1.297 -8.476 1.00 74.14 C ATOM 424 CG1 VAL A 27 8.729 0.026 -9.277 1.00 2.12 C ATOM 425 CG2 VAL A 27 8.866 1.097 -7.018 1.00 41.41 C ATOM 0 H VAL A 27 11.014 2.148 -8.041 1.00 62.50 H new ATOM 0 HA VAL A 27 9.001 2.546 -10.154 1.00 21.41 H new ATOM 0 HB VAL A 27 7.407 1.520 -8.515 1.00 74.14 H new ATOM 0 HG11 VAL A 27 8.183 -0.804 -8.827 1.00 2.12 H new ATOM 0 HG12 VAL A 27 8.391 0.169 -10.304 1.00 2.12 H new ATOM 0 HG13 VAL A 27 9.796 -0.197 -9.274 1.00 2.12 H new ATOM 0 HG21 VAL A 27 8.317 0.251 -6.606 1.00 41.41 H new ATOM 0 HG22 VAL A 27 9.936 0.901 -6.953 1.00 41.41 H new ATOM 0 HG23 VAL A 27 8.627 1.996 -6.450 1.00 41.41 H new ATOM 435 N ARG A 28 9.743 4.593 -7.977 1.00 13.34 N ATOM 436 CA ARG A 28 9.438 5.820 -7.244 1.00 3.22 C ATOM 437 C ARG A 28 8.564 6.751 -8.085 1.00 73.33 C ATOM 438 O ARG A 28 7.466 7.130 -7.674 1.00 34.50 O ATOM 439 CB ARG A 28 10.744 6.520 -6.834 1.00 12.52 C ATOM 440 CG ARG A 28 10.584 7.614 -5.782 1.00 74.30 C ATOM 441 CD ARG A 28 9.983 8.892 -6.350 1.00 12.34 C ATOM 442 NE ARG A 28 10.808 9.465 -7.413 1.00 30.52 N ATOM 443 CZ ARG A 28 10.417 10.472 -8.193 1.00 62.41 C ATOM 444 NH1 ARG A 28 9.221 11.019 -8.026 1.00 53.21 N ATOM 445 NH2 ARG A 28 11.226 10.935 -9.136 1.00 55.21 N ATOM 0 H ARG A 28 10.739 4.421 -8.113 1.00 13.34 H new ATOM 0 HA ARG A 28 8.880 5.562 -6.344 1.00 3.22 H new ATOM 0 HB2 ARG A 28 11.438 5.770 -6.454 1.00 12.52 H new ATOM 0 HB3 ARG A 28 11.201 6.955 -7.723 1.00 12.52 H new ATOM 0 HG2 ARG A 28 9.950 7.247 -4.975 1.00 74.30 H new ATOM 0 HG3 ARG A 28 11.557 7.838 -5.346 1.00 74.30 H new ATOM 0 HD2 ARG A 28 8.987 8.681 -6.739 1.00 12.34 H new ATOM 0 HD3 ARG A 28 9.865 9.623 -5.550 1.00 12.34 H new ATOM 0 HE ARG A 28 11.736 9.071 -7.566 1.00 30.52 H new ATOM 0 HH11 ARG A 28 8.597 10.669 -7.299 1.00 53.21 H new ATOM 0 HH12 ARG A 28 8.925 11.790 -8.625 1.00 53.21 H new ATOM 0 HH21 ARG A 28 12.149 10.520 -9.265 1.00 55.21 H new ATOM 0 HH22 ARG A 28 10.925 11.706 -9.732 1.00 55.21 H new ATOM 459 N ARG A 29 9.056 7.104 -9.262 1.00 71.12 N ATOM 460 CA ARG A 29 8.342 8.003 -10.155 1.00 11.40 C ATOM 461 C ARG A 29 7.131 7.297 -10.751 1.00 54.30 C ATOM 462 O ARG A 29 6.076 7.898 -10.939 1.00 71.23 O ATOM 463 CB ARG A 29 9.281 8.483 -11.264 1.00 64.15 C ATOM 464 CG ARG A 29 8.617 9.392 -12.281 1.00 32.33 C ATOM 465 CD ARG A 29 9.621 9.910 -13.300 1.00 34.03 C ATOM 466 NE ARG A 29 10.566 10.854 -12.704 1.00 71.41 N ATOM 467 CZ ARG A 29 11.882 10.835 -12.917 1.00 52.41 C ATOM 468 NH1 ARG A 29 12.429 9.885 -13.664 1.00 64.04 N ATOM 469 NH2 ARG A 29 12.653 11.768 -12.375 1.00 75.24 N ATOM 0 H ARG A 29 9.953 6.779 -9.623 1.00 71.12 H new ATOM 0 HA ARG A 29 7.994 8.868 -9.590 1.00 11.40 H new ATOM 0 HB2 ARG A 29 10.120 9.012 -10.812 1.00 64.15 H new ATOM 0 HB3 ARG A 29 9.691 7.615 -11.780 1.00 64.15 H new ATOM 0 HG2 ARG A 29 7.823 8.849 -12.794 1.00 32.33 H new ATOM 0 HG3 ARG A 29 8.149 10.233 -11.769 1.00 32.33 H new ATOM 0 HD2 ARG A 29 10.168 9.071 -13.729 1.00 34.03 H new ATOM 0 HD3 ARG A 29 9.090 10.396 -14.118 1.00 34.03 H new ATOM 0 HE ARG A 29 10.194 11.574 -12.085 1.00 71.41 H new ATOM 0 HH11 ARG A 29 11.842 9.162 -14.080 1.00 64.04 H new ATOM 0 HH12 ARG A 29 13.437 9.877 -13.822 1.00 64.04 H new ATOM 0 HH21 ARG A 29 12.239 12.499 -11.796 1.00 75.24 H new ATOM 0 HH22 ARG A 29 13.660 11.755 -12.537 1.00 75.24 H new ATOM 483 N LYS A 30 7.301 6.013 -11.018 1.00 73.33 N ATOM 484 CA LYS A 30 6.261 5.186 -11.619 1.00 50.52 C ATOM 485 C LYS A 30 4.997 5.169 -10.756 1.00 4.54 C ATOM 486 O LYS A 30 3.887 5.343 -11.262 1.00 73.04 O ATOM 487 CB LYS A 30 6.800 3.769 -11.810 1.00 34.34 C ATOM 488 CG LYS A 30 5.899 2.847 -12.618 1.00 60.30 C ATOM 489 CD LYS A 30 6.659 1.611 -13.079 1.00 34.15 C ATOM 490 CE LYS A 30 5.771 0.640 -13.842 1.00 35.33 C ATOM 491 NZ LYS A 30 4.835 -0.083 -12.943 1.00 64.02 N ATOM 0 H LYS A 30 8.167 5.510 -10.824 1.00 73.33 H new ATOM 0 HA LYS A 30 5.988 5.608 -12.586 1.00 50.52 H new ATOM 0 HB2 LYS A 30 7.771 3.828 -12.302 1.00 34.34 H new ATOM 0 HB3 LYS A 30 6.966 3.323 -10.829 1.00 34.34 H new ATOM 0 HG2 LYS A 30 5.043 2.548 -12.014 1.00 60.30 H new ATOM 0 HG3 LYS A 30 5.507 3.382 -13.483 1.00 60.30 H new ATOM 0 HD2 LYS A 30 7.491 1.915 -13.714 1.00 34.15 H new ATOM 0 HD3 LYS A 30 7.086 1.106 -12.213 1.00 34.15 H new ATOM 0 HE2 LYS A 30 5.202 1.185 -14.595 1.00 35.33 H new ATOM 0 HE3 LYS A 30 6.394 -0.081 -14.372 1.00 35.33 H new ATOM 0 HZ1 LYS A 30 4.249 -0.734 -13.503 1.00 64.02 H new ATOM 0 HZ2 LYS A 30 5.377 -0.624 -12.240 1.00 64.02 H new ATOM 0 HZ3 LYS A 30 4.223 0.602 -12.456 1.00 64.02 H new ATOM 505 N ILE A 31 5.175 4.972 -9.456 1.00 32.31 N ATOM 506 CA ILE A 31 4.054 4.953 -8.519 1.00 32.14 C ATOM 507 C ILE A 31 3.394 6.331 -8.414 1.00 75.12 C ATOM 508 O ILE A 31 2.168 6.449 -8.403 1.00 21.33 O ATOM 509 CB ILE A 31 4.508 4.492 -7.116 1.00 32.34 C ATOM 510 CG1 ILE A 31 5.035 3.059 -7.178 1.00 22.31 C ATOM 511 CG2 ILE A 31 3.364 4.591 -6.118 1.00 64.05 C ATOM 512 CD1 ILE A 31 5.677 2.585 -5.893 1.00 73.44 C ATOM 0 H ILE A 31 6.087 4.823 -9.024 1.00 32.31 H new ATOM 0 HA ILE A 31 3.325 4.242 -8.907 1.00 32.14 H new ATOM 0 HB ILE A 31 5.310 5.149 -6.781 1.00 32.34 H new ATOM 0 HG12 ILE A 31 4.212 2.390 -7.429 1.00 22.31 H new ATOM 0 HG13 ILE A 31 5.764 2.985 -7.985 1.00 22.31 H new ATOM 0 HG21 ILE A 31 3.707 4.261 -5.137 1.00 64.05 H new ATOM 0 HG22 ILE A 31 3.025 5.625 -6.055 1.00 64.05 H new ATOM 0 HG23 ILE A 31 2.539 3.958 -6.446 1.00 64.05 H new ATOM 0 HD11 ILE A 31 6.025 1.560 -6.017 1.00 73.44 H new ATOM 0 HD12 ILE A 31 6.522 3.229 -5.650 1.00 73.44 H new ATOM 0 HD13 ILE A 31 4.946 2.625 -5.085 1.00 73.44 H new ATOM 524 N MET A 32 4.213 7.373 -8.357 1.00 63.43 N ATOM 525 CA MET A 32 3.699 8.735 -8.245 1.00 41.25 C ATOM 526 C MET A 32 2.967 9.144 -9.520 1.00 43.13 C ATOM 527 O MET A 32 1.950 9.839 -9.467 1.00 62.13 O ATOM 528 CB MET A 32 4.828 9.720 -7.944 1.00 11.24 C ATOM 529 CG MET A 32 5.400 9.575 -6.543 1.00 55.21 C ATOM 530 SD MET A 32 6.778 10.695 -6.230 1.00 52.21 S ATOM 531 CE MET A 32 7.124 10.335 -4.510 1.00 41.01 C ATOM 0 H MET A 32 5.230 7.304 -8.386 1.00 63.43 H new ATOM 0 HA MET A 32 2.991 8.758 -7.416 1.00 41.25 H new ATOM 0 HB2 MET A 32 5.627 9.578 -8.671 1.00 11.24 H new ATOM 0 HB3 MET A 32 4.457 10.737 -8.073 1.00 11.24 H new ATOM 0 HG2 MET A 32 4.613 9.763 -5.813 1.00 55.21 H new ATOM 0 HG3 MET A 32 5.733 8.547 -6.396 1.00 55.21 H new ATOM 0 HE1 MET A 32 7.773 11.109 -4.100 1.00 41.01 H new ATOM 0 HE2 MET A 32 6.190 10.310 -3.949 1.00 41.01 H new ATOM 0 HE3 MET A 32 7.620 9.367 -4.433 1.00 41.01 H new ATOM 541 N ASP A 33 3.485 8.694 -10.655 1.00 52.41 N ATOM 542 CA ASP A 33 2.870 8.966 -11.950 1.00 41.32 C ATOM 543 C ASP A 33 1.550 8.217 -12.080 1.00 32.04 C ATOM 544 O ASP A 33 0.627 8.674 -12.753 1.00 21.10 O ATOM 545 CB ASP A 33 3.810 8.549 -13.084 1.00 4.32 C ATOM 546 CG ASP A 33 3.208 8.794 -14.451 1.00 42.15 C ATOM 547 OD1 ASP A 33 3.160 9.960 -14.887 1.00 54.22 O ATOM 548 OD2 ASP A 33 2.785 7.811 -15.103 1.00 33.40 O ATOM 0 H ASP A 33 4.336 8.135 -10.706 1.00 52.41 H new ATOM 0 HA ASP A 33 2.680 10.037 -12.019 1.00 41.32 H new ATOM 0 HB2 ASP A 33 4.746 9.101 -12.998 1.00 4.32 H new ATOM 0 HB3 ASP A 33 4.053 7.491 -12.981 1.00 4.32 H new ATOM 553 N MET A 34 1.474 7.069 -11.418 1.00 5.35 N ATOM 554 CA MET A 34 0.282 6.229 -11.451 1.00 52.24 C ATOM 555 C MET A 34 -0.913 6.957 -10.841 1.00 41.31 C ATOM 556 O MET A 34 -2.044 6.794 -11.293 1.00 54.42 O ATOM 557 CB MET A 34 0.541 4.921 -10.704 1.00 24.42 C ATOM 558 CG MET A 34 -0.203 3.731 -11.280 1.00 23.24 C ATOM 559 SD MET A 34 0.254 2.181 -10.480 1.00 22.51 S ATOM 560 CE MET A 34 -0.774 1.020 -11.377 1.00 14.12 C ATOM 0 H MET A 34 2.232 6.695 -10.846 1.00 5.35 H new ATOM 0 HA MET A 34 0.049 6.004 -12.492 1.00 52.24 H new ATOM 0 HB2 MET A 34 1.610 4.711 -10.718 1.00 24.42 H new ATOM 0 HB3 MET A 34 0.254 5.047 -9.660 1.00 24.42 H new ATOM 0 HG2 MET A 34 -1.276 3.890 -11.172 1.00 23.24 H new ATOM 0 HG3 MET A 34 0.003 3.660 -12.348 1.00 23.24 H new ATOM 0 HE1 MET A 34 -1.190 0.290 -10.682 1.00 14.12 H new ATOM 0 HE2 MET A 34 -1.586 1.557 -11.868 1.00 14.12 H new ATOM 0 HE3 MET A 34 -0.173 0.506 -12.127 1.00 14.12 H new ATOM 570 N GLY A 35 -0.653 7.770 -9.826 1.00 4.51 N ATOM 571 CA GLY A 35 -1.718 8.543 -9.216 1.00 34.21 C ATOM 572 C GLY A 35 -1.789 8.377 -7.711 1.00 44.35 C ATOM 573 O GLY A 35 -2.827 8.639 -7.104 1.00 51.10 O ATOM 0 H GLY A 35 0.271 7.908 -9.416 1.00 4.51 H new ATOM 0 HA2 GLY A 35 -1.574 9.597 -9.452 1.00 34.21 H new ATOM 0 HA3 GLY A 35 -2.671 8.245 -9.653 1.00 34.21 H new ATOM 577 N ILE A 36 -0.696 7.932 -7.107 1.00 15.04 N ATOM 578 CA ILE A 36 -0.632 7.792 -5.660 1.00 31.42 C ATOM 579 C ILE A 36 0.220 8.909 -5.073 1.00 42.24 C ATOM 580 O ILE A 36 1.297 9.215 -5.589 1.00 53.45 O ATOM 581 CB ILE A 36 -0.050 6.424 -5.245 1.00 2.24 C ATOM 582 CG1 ILE A 36 -0.840 5.294 -5.908 1.00 41.34 C ATOM 583 CG2 ILE A 36 -0.067 6.267 -3.729 1.00 34.35 C ATOM 584 CD1 ILE A 36 -0.249 3.918 -5.681 1.00 3.40 C ATOM 0 H ILE A 36 0.157 7.662 -7.596 1.00 15.04 H new ATOM 0 HA ILE A 36 -1.649 7.856 -5.273 1.00 31.42 H new ATOM 0 HB ILE A 36 0.986 6.373 -5.580 1.00 2.24 H new ATOM 0 HG12 ILE A 36 -1.862 5.307 -5.529 1.00 41.34 H new ATOM 0 HG13 ILE A 36 -0.895 5.483 -6.980 1.00 41.34 H new ATOM 0 HG21 ILE A 36 0.348 5.296 -3.459 1.00 34.35 H new ATOM 0 HG22 ILE A 36 0.532 7.056 -3.275 1.00 34.35 H new ATOM 0 HG23 ILE A 36 -1.093 6.337 -3.367 1.00 34.35 H new ATOM 0 HD11 ILE A 36 -0.865 3.171 -6.181 1.00 3.40 H new ATOM 0 HD12 ILE A 36 0.763 3.885 -6.086 1.00 3.40 H new ATOM 0 HD13 ILE A 36 -0.219 3.707 -4.612 1.00 3.40 H new ATOM 596 N VAL A 37 -0.264 9.517 -4.002 1.00 72.23 N ATOM 597 CA VAL A 37 0.424 10.648 -3.393 1.00 70.24 C ATOM 598 C VAL A 37 0.762 10.356 -1.934 1.00 41.43 C ATOM 599 O VAL A 37 0.419 9.295 -1.408 1.00 53.43 O ATOM 600 CB VAL A 37 -0.407 11.951 -3.489 1.00 64.54 C ATOM 601 CG1 VAL A 37 -0.628 12.343 -4.942 1.00 12.11 C ATOM 602 CG2 VAL A 37 -1.741 11.814 -2.768 1.00 72.32 C ATOM 0 H VAL A 37 -1.130 9.248 -3.535 1.00 72.23 H new ATOM 0 HA VAL A 37 1.348 10.796 -3.952 1.00 70.24 H new ATOM 0 HB VAL A 37 0.161 12.741 -2.997 1.00 64.54 H new ATOM 0 HG11 VAL A 37 -1.214 13.261 -4.986 1.00 12.11 H new ATOM 0 HG12 VAL A 37 0.335 12.504 -5.426 1.00 12.11 H new ATOM 0 HG13 VAL A 37 -1.164 11.545 -5.457 1.00 12.11 H new ATOM 0 HG21 VAL A 37 -2.299 12.746 -2.855 1.00 72.32 H new ATOM 0 HG22 VAL A 37 -2.316 11.004 -3.217 1.00 72.32 H new ATOM 0 HG23 VAL A 37 -1.565 11.594 -1.715 1.00 72.32 H new ATOM 612 N ARG A 38 1.434 11.292 -1.288 1.00 30.20 N ATOM 613 CA ARG A 38 1.839 11.120 0.099 1.00 1.41 C ATOM 614 C ARG A 38 0.661 11.378 1.028 1.00 43.40 C ATOM 615 O ARG A 38 -0.011 12.405 0.932 1.00 30.55 O ATOM 616 CB ARG A 38 3.004 12.061 0.421 1.00 10.24 C ATOM 617 CG ARG A 38 3.695 11.790 1.755 1.00 3.04 C ATOM 618 CD ARG A 38 2.922 12.353 2.936 1.00 14.12 C ATOM 619 NE ARG A 38 3.671 12.234 4.180 1.00 14.44 N ATOM 620 CZ ARG A 38 3.463 13.000 5.251 1.00 31.14 C ATOM 621 NH1 ARG A 38 2.455 13.867 5.276 1.00 2.14 N ATOM 622 NH2 ARG A 38 4.248 12.874 6.311 1.00 42.03 N ATOM 0 H ARG A 38 1.712 12.182 -1.701 1.00 30.20 H new ATOM 0 HA ARG A 38 2.171 10.093 0.250 1.00 1.41 H new ATOM 0 HB2 ARG A 38 3.743 11.988 -0.377 1.00 10.24 H new ATOM 0 HB3 ARG A 38 2.635 13.087 0.420 1.00 10.24 H new ATOM 0 HG2 ARG A 38 3.818 10.715 1.885 1.00 3.04 H new ATOM 0 HG3 ARG A 38 4.694 12.225 1.738 1.00 3.04 H new ATOM 0 HD2 ARG A 38 2.689 13.402 2.751 1.00 14.12 H new ATOM 0 HD3 ARG A 38 1.972 11.827 3.032 1.00 14.12 H new ATOM 0 HE ARG A 38 4.399 11.521 4.235 1.00 14.44 H new ATOM 0 HH11 ARG A 38 1.834 13.950 4.471 1.00 2.14 H new ATOM 0 HH12 ARG A 38 2.303 14.449 6.100 1.00 2.14 H new ATOM 0 HH21 ARG A 38 5.007 12.193 6.305 1.00 42.03 H new ATOM 0 HH22 ARG A 38 4.093 13.458 7.133 1.00 42.03 H new ATOM 636 N GLY A 39 0.421 10.437 1.929 1.00 44.01 N ATOM 637 CA GLY A 39 -0.666 10.575 2.872 1.00 11.12 C ATOM 638 C GLY A 39 -1.945 9.952 2.365 1.00 41.42 C ATOM 639 O GLY A 39 -2.994 10.080 2.995 1.00 41.50 O ATOM 0 H GLY A 39 0.963 9.578 2.023 1.00 44.01 H new ATOM 0 HA2 GLY A 39 -0.386 10.108 3.817 1.00 11.12 H new ATOM 0 HA3 GLY A 39 -0.835 11.632 3.076 1.00 11.12 H new ATOM 643 N THR A 40 -1.868 9.285 1.220 1.00 24.34 N ATOM 644 CA THR A 40 -3.014 8.563 0.702 1.00 64.35 C ATOM 645 C THR A 40 -3.305 7.369 1.592 1.00 54.14 C ATOM 646 O THR A 40 -2.387 6.679 2.043 1.00 41.11 O ATOM 647 CB THR A 40 -2.792 8.054 -0.730 1.00 13.41 C ATOM 648 OG1 THR A 40 -2.180 9.067 -1.525 1.00 34.31 O ATOM 649 CG2 THR A 40 -4.105 7.638 -1.375 1.00 63.23 C ATOM 0 H THR A 40 -1.031 9.231 0.640 1.00 24.34 H new ATOM 0 HA THR A 40 -3.851 9.262 0.689 1.00 64.35 H new ATOM 0 HB THR A 40 -2.137 7.184 -0.674 1.00 13.41 H new ATOM 0 HG1 THR A 40 -1.227 8.866 -1.634 1.00 34.31 H new ATOM 0 HG21 THR A 40 -3.916 7.282 -2.388 1.00 63.23 H new ATOM 0 HG22 THR A 40 -4.561 6.840 -0.789 1.00 63.23 H new ATOM 0 HG23 THR A 40 -4.780 8.493 -1.411 1.00 63.23 H new ATOM 657 N GLU A 41 -4.571 7.138 1.843 1.00 31.35 N ATOM 658 CA GLU A 41 -4.995 6.034 2.662 1.00 71.30 C ATOM 659 C GLU A 41 -5.368 4.861 1.775 1.00 0.14 C ATOM 660 O GLU A 41 -6.186 4.985 0.862 1.00 14.21 O ATOM 661 CB GLU A 41 -6.169 6.452 3.536 1.00 25.10 C ATOM 662 CG GLU A 41 -5.886 7.679 4.391 1.00 51.34 C ATOM 663 CD GLU A 41 -6.914 7.888 5.483 1.00 71.54 C ATOM 664 OE1 GLU A 41 -8.110 7.605 5.250 1.00 14.21 O ATOM 665 OE2 GLU A 41 -6.528 8.302 6.594 1.00 24.22 O ATOM 0 H GLU A 41 -5.334 7.711 1.484 1.00 31.35 H new ATOM 0 HA GLU A 41 -4.179 5.730 3.317 1.00 71.30 H new ATOM 0 HB2 GLU A 41 -7.031 6.654 2.900 1.00 25.10 H new ATOM 0 HB3 GLU A 41 -6.441 5.621 4.187 1.00 25.10 H new ATOM 0 HG2 GLU A 41 -4.899 7.581 4.843 1.00 51.34 H new ATOM 0 HG3 GLU A 41 -5.858 8.562 3.752 1.00 51.34 H new ATOM 672 N ILE A 42 -4.751 3.735 2.044 1.00 62.21 N ATOM 673 CA ILE A 42 -4.894 2.567 1.210 1.00 33.12 C ATOM 674 C ILE A 42 -5.746 1.509 1.896 1.00 62.24 C ATOM 675 O ILE A 42 -5.425 1.049 2.995 1.00 35.13 O ATOM 676 CB ILE A 42 -3.514 1.969 0.871 1.00 65.23 C ATOM 677 CG1 ILE A 42 -2.659 2.994 0.118 1.00 23.24 C ATOM 678 CG2 ILE A 42 -3.665 0.694 0.052 1.00 62.13 C ATOM 679 CD1 ILE A 42 -1.270 2.497 -0.226 1.00 62.20 C ATOM 0 H ILE A 42 -4.136 3.603 2.847 1.00 62.21 H new ATOM 0 HA ILE A 42 -5.388 2.878 0.290 1.00 33.12 H new ATOM 0 HB ILE A 42 -3.011 1.716 1.804 1.00 65.23 H new ATOM 0 HG12 ILE A 42 -3.172 3.276 -0.802 1.00 23.24 H new ATOM 0 HG13 ILE A 42 -2.572 3.896 0.724 1.00 23.24 H new ATOM 0 HG21 ILE A 42 -2.679 0.289 -0.176 1.00 62.13 H new ATOM 0 HG22 ILE A 42 -4.235 -0.039 0.622 1.00 62.13 H new ATOM 0 HG23 ILE A 42 -4.189 0.918 -0.877 1.00 62.13 H new ATOM 0 HD11 ILE A 42 -0.726 3.278 -0.758 1.00 62.20 H new ATOM 0 HD12 ILE A 42 -0.737 2.243 0.690 1.00 62.20 H new ATOM 0 HD13 ILE A 42 -1.346 1.613 -0.859 1.00 62.20 H new ATOM 691 N TYR A 43 -6.842 1.152 1.253 1.00 32.04 N ATOM 692 CA TYR A 43 -7.675 0.059 1.708 1.00 64.41 C ATOM 693 C TYR A 43 -7.246 -1.213 0.997 1.00 15.42 C ATOM 694 O TYR A 43 -7.476 -1.371 -0.204 1.00 64.11 O ATOM 695 CB TYR A 43 -9.152 0.363 1.424 1.00 41.23 C ATOM 696 CG TYR A 43 -10.114 -0.709 1.892 1.00 21.42 C ATOM 697 CD1 TYR A 43 -10.600 -0.715 3.193 1.00 32.15 C ATOM 698 CD2 TYR A 43 -10.549 -1.706 1.026 1.00 13.05 C ATOM 699 CE1 TYR A 43 -11.486 -1.688 3.620 1.00 42.11 C ATOM 700 CE2 TYR A 43 -11.435 -2.680 1.444 1.00 14.34 C ATOM 701 CZ TYR A 43 -11.902 -2.667 2.741 1.00 44.41 C ATOM 702 OH TYR A 43 -12.790 -3.634 3.157 1.00 1.02 O ATOM 0 H TYR A 43 -7.177 1.610 0.405 1.00 32.04 H new ATOM 0 HA TYR A 43 -7.559 -0.070 2.784 1.00 64.41 H new ATOM 0 HB2 TYR A 43 -9.415 1.305 1.905 1.00 41.23 H new ATOM 0 HB3 TYR A 43 -9.281 0.506 0.351 1.00 41.23 H new ATOM 0 HD1 TYR A 43 -10.281 0.052 3.883 1.00 32.15 H new ATOM 0 HD2 TYR A 43 -10.188 -1.719 0.008 1.00 13.05 H new ATOM 0 HE1 TYR A 43 -11.850 -1.681 4.637 1.00 42.11 H new ATOM 0 HE2 TYR A 43 -11.760 -3.448 0.758 1.00 14.34 H new ATOM 0 HH TYR A 43 -12.979 -4.245 2.415 1.00 1.02 H new ATOM 712 N ILE A 44 -6.585 -2.095 1.724 1.00 5.53 N ATOM 713 CA ILE A 44 -6.135 -3.355 1.160 1.00 30.44 C ATOM 714 C ILE A 44 -7.341 -4.242 0.893 1.00 65.14 C ATOM 715 O ILE A 44 -7.922 -4.789 1.826 1.00 43.22 O ATOM 716 CB ILE A 44 -5.173 -4.105 2.112 1.00 72.45 C ATOM 717 CG1 ILE A 44 -4.110 -3.159 2.689 1.00 52.12 C ATOM 718 CG2 ILE A 44 -4.510 -5.268 1.385 1.00 3.52 C ATOM 719 CD1 ILE A 44 -3.174 -2.568 1.658 1.00 52.31 C ATOM 0 H ILE A 44 -6.348 -1.962 2.707 1.00 5.53 H new ATOM 0 HA ILE A 44 -5.599 -3.132 0.238 1.00 30.44 H new ATOM 0 HB ILE A 44 -5.760 -4.496 2.943 1.00 72.45 H new ATOM 0 HG12 ILE A 44 -4.611 -2.347 3.215 1.00 52.12 H new ATOM 0 HG13 ILE A 44 -3.521 -3.702 3.428 1.00 52.12 H new ATOM 0 HG21 ILE A 44 -3.836 -5.787 2.067 1.00 3.52 H new ATOM 0 HG22 ILE A 44 -5.275 -5.961 1.034 1.00 3.52 H new ATOM 0 HG23 ILE A 44 -3.944 -4.890 0.533 1.00 3.52 H new ATOM 0 HD11 ILE A 44 -2.456 -1.913 2.151 1.00 52.31 H new ATOM 0 HD12 ILE A 44 -2.642 -3.371 1.147 1.00 52.31 H new ATOM 0 HD13 ILE A 44 -3.749 -1.994 0.931 1.00 52.31 H new ATOM 731 N GLU A 45 -7.739 -4.361 -0.364 1.00 2.11 N ATOM 732 CA GLU A 45 -8.898 -5.163 -0.705 1.00 40.40 C ATOM 733 C GLU A 45 -8.551 -6.643 -0.658 1.00 64.31 C ATOM 734 O GLU A 45 -9.108 -7.396 0.139 1.00 72.24 O ATOM 735 CB GLU A 45 -9.436 -4.790 -2.085 1.00 33.42 C ATOM 736 CG GLU A 45 -9.841 -3.331 -2.208 1.00 32.35 C ATOM 737 CD GLU A 45 -10.800 -3.095 -3.354 1.00 35.41 C ATOM 738 OE1 GLU A 45 -10.402 -3.268 -4.520 1.00 0.51 O ATOM 739 OE2 GLU A 45 -11.970 -2.745 -3.091 1.00 44.45 O ATOM 0 H GLU A 45 -7.279 -3.915 -1.158 1.00 2.11 H new ATOM 0 HA GLU A 45 -9.677 -4.960 0.030 1.00 40.40 H new ATOM 0 HB2 GLU A 45 -8.675 -5.011 -2.834 1.00 33.42 H new ATOM 0 HB3 GLU A 45 -10.298 -5.418 -2.311 1.00 33.42 H new ATOM 0 HG2 GLU A 45 -10.304 -3.005 -1.277 1.00 32.35 H new ATOM 0 HG3 GLU A 45 -8.950 -2.720 -2.351 1.00 32.35 H new ATOM 746 N GLY A 46 -7.613 -7.052 -1.497 1.00 5.13 N ATOM 747 CA GLY A 46 -7.219 -8.441 -1.526 1.00 41.43 C ATOM 748 C GLY A 46 -6.016 -8.678 -2.405 1.00 50.42 C ATOM 749 O GLY A 46 -5.706 -7.868 -3.278 1.00 61.42 O ATOM 0 H GLY A 46 -7.120 -6.449 -2.155 1.00 5.13 H new ATOM 0 HA2 GLY A 46 -6.997 -8.774 -0.512 1.00 41.43 H new ATOM 0 HA3 GLY A 46 -8.052 -9.045 -1.884 1.00 41.43 H new ATOM 753 N LYS A 47 -5.328 -9.778 -2.164 1.00 42.03 N ATOM 754 CA LYS A 47 -4.189 -10.163 -2.976 1.00 5.24 C ATOM 755 C LYS A 47 -4.635 -11.180 -4.016 1.00 40.23 C ATOM 756 O LYS A 47 -5.602 -11.912 -3.790 1.00 71.35 O ATOM 757 CB LYS A 47 -3.093 -10.763 -2.087 1.00 10.42 C ATOM 758 CG LYS A 47 -2.496 -9.771 -1.100 1.00 74.13 C ATOM 759 CD LYS A 47 -1.737 -10.467 0.026 1.00 30.52 C ATOM 760 CE LYS A 47 -0.635 -11.371 -0.503 1.00 43.32 C ATOM 761 NZ LYS A 47 0.106 -12.046 0.599 1.00 2.44 N ATOM 0 H LYS A 47 -5.541 -10.426 -1.405 1.00 42.03 H new ATOM 0 HA LYS A 47 -3.787 -9.284 -3.480 1.00 5.24 H new ATOM 0 HB2 LYS A 47 -3.507 -11.607 -1.535 1.00 10.42 H new ATOM 0 HB3 LYS A 47 -2.298 -11.155 -2.721 1.00 10.42 H new ATOM 0 HG2 LYS A 47 -1.822 -9.096 -1.628 1.00 74.13 H new ATOM 0 HG3 LYS A 47 -3.292 -9.159 -0.676 1.00 74.13 H new ATOM 0 HD2 LYS A 47 -1.304 -9.718 0.689 1.00 30.52 H new ATOM 0 HD3 LYS A 47 -2.434 -11.056 0.623 1.00 30.52 H new ATOM 0 HE2 LYS A 47 -1.068 -12.123 -1.163 1.00 43.32 H new ATOM 0 HE3 LYS A 47 0.061 -10.783 -1.102 1.00 43.32 H new ATOM 0 HZ1 LYS A 47 0.849 -12.653 0.197 1.00 2.44 H new ATOM 0 HZ2 LYS A 47 0.540 -11.329 1.215 1.00 2.44 H new ATOM 0 HZ3 LYS A 47 -0.553 -12.627 1.155 1.00 2.44 H new ATOM 775 N ALA A 48 -3.951 -11.217 -5.153 1.00 51.51 N ATOM 776 CA ALA A 48 -4.243 -12.208 -6.180 1.00 43.21 C ATOM 777 C ALA A 48 -4.061 -13.617 -5.618 1.00 10.23 C ATOM 778 O ALA A 48 -3.333 -13.799 -4.643 1.00 34.02 O ATOM 779 CB ALA A 48 -3.348 -11.992 -7.392 1.00 65.11 C ATOM 0 H ALA A 48 -3.193 -10.575 -5.386 1.00 51.51 H new ATOM 0 HA ALA A 48 -5.280 -12.094 -6.496 1.00 43.21 H new ATOM 0 HB1 ALA A 48 -3.577 -12.740 -8.151 1.00 65.11 H new ATOM 0 HB2 ALA A 48 -3.521 -10.996 -7.799 1.00 65.11 H new ATOM 0 HB3 ALA A 48 -2.304 -12.086 -7.094 1.00 65.11 H new ATOM 785 N PRO A 49 -4.724 -14.626 -6.216 1.00 52.22 N ATOM 786 CA PRO A 49 -4.663 -16.020 -5.749 1.00 22.11 C ATOM 787 C PRO A 49 -3.242 -16.518 -5.480 1.00 15.22 C ATOM 788 O PRO A 49 -3.021 -17.331 -4.583 1.00 34.45 O ATOM 789 CB PRO A 49 -5.282 -16.799 -6.910 1.00 23.24 C ATOM 790 CG PRO A 49 -6.234 -15.844 -7.535 1.00 42.13 C ATOM 791 CD PRO A 49 -5.609 -14.484 -7.391 1.00 30.11 C ATOM 0 HA PRO A 49 -5.175 -16.139 -4.794 1.00 22.11 H new ATOM 0 HB2 PRO A 49 -4.521 -17.123 -7.620 1.00 23.24 H new ATOM 0 HB3 PRO A 49 -5.793 -17.696 -6.559 1.00 23.24 H new ATOM 0 HG2 PRO A 49 -6.400 -16.088 -8.584 1.00 42.13 H new ATOM 0 HG3 PRO A 49 -7.205 -15.882 -7.042 1.00 42.13 H new ATOM 0 HD2 PRO A 49 -5.048 -14.205 -8.283 1.00 30.11 H new ATOM 0 HD3 PRO A 49 -6.362 -13.712 -7.234 1.00 30.11 H new ATOM 799 N MET A 50 -2.278 -16.021 -6.248 1.00 73.44 N ATOM 800 CA MET A 50 -0.893 -16.462 -6.109 1.00 3.21 C ATOM 801 C MET A 50 -0.139 -15.605 -5.085 1.00 61.42 C ATOM 802 O MET A 50 0.963 -15.949 -4.662 1.00 34.43 O ATOM 803 CB MET A 50 -0.191 -16.420 -7.470 1.00 51.33 C ATOM 804 CG MET A 50 1.171 -17.093 -7.479 1.00 71.53 C ATOM 805 SD MET A 50 1.931 -17.105 -9.117 1.00 12.32 S ATOM 806 CE MET A 50 0.738 -18.067 -10.045 1.00 34.11 C ATOM 0 H MET A 50 -2.428 -15.316 -6.970 1.00 73.44 H new ATOM 0 HA MET A 50 -0.895 -17.489 -5.744 1.00 3.21 H new ATOM 0 HB2 MET A 50 -0.828 -16.901 -8.212 1.00 51.33 H new ATOM 0 HB3 MET A 50 -0.074 -15.380 -7.776 1.00 51.33 H new ATOM 0 HG2 MET A 50 1.831 -16.578 -6.781 1.00 71.53 H new ATOM 0 HG3 MET A 50 1.068 -18.118 -7.123 1.00 71.53 H new ATOM 0 HE1 MET A 50 1.219 -18.491 -10.927 1.00 34.11 H new ATOM 0 HE2 MET A 50 0.354 -18.872 -9.419 1.00 34.11 H new ATOM 0 HE3 MET A 50 -0.086 -17.424 -10.355 1.00 34.11 H new ATOM 816 N GLY A 51 -0.747 -14.497 -4.677 1.00 1.34 N ATOM 817 CA GLY A 51 -0.113 -13.607 -3.716 1.00 34.24 C ATOM 818 C GLY A 51 0.328 -12.299 -4.340 1.00 3.34 C ATOM 819 O GLY A 51 0.627 -11.331 -3.638 1.00 50.54 O ATOM 0 H GLY A 51 -1.669 -14.197 -4.994 1.00 1.34 H new ATOM 0 HA2 GLY A 51 -0.808 -13.401 -2.902 1.00 34.24 H new ATOM 0 HA3 GLY A 51 0.751 -14.107 -3.278 1.00 34.24 H new ATOM 823 N ASP A 52 0.360 -12.275 -5.662 1.00 42.20 N ATOM 824 CA ASP A 52 0.780 -11.099 -6.418 1.00 71.25 C ATOM 825 C ASP A 52 0.042 -11.063 -7.752 1.00 32.42 C ATOM 826 O ASP A 52 -0.143 -12.109 -8.379 1.00 31.40 O ATOM 827 CB ASP A 52 2.298 -11.134 -6.650 1.00 31.21 C ATOM 828 CG ASP A 52 2.777 -10.050 -7.598 1.00 14.02 C ATOM 829 OD1 ASP A 52 2.982 -8.901 -7.151 1.00 2.11 O ATOM 830 OD2 ASP A 52 2.985 -10.347 -8.791 1.00 33.34 O ATOM 0 H ASP A 52 0.096 -13.069 -6.245 1.00 42.20 H new ATOM 0 HA ASP A 52 0.538 -10.200 -5.851 1.00 71.25 H new ATOM 0 HB2 ASP A 52 2.809 -11.025 -5.693 1.00 31.21 H new ATOM 0 HB3 ASP A 52 2.577 -12.109 -7.051 1.00 31.21 H new ATOM 835 N PRO A 53 -0.416 -9.881 -8.205 1.00 65.43 N ATOM 836 CA PRO A 53 -0.270 -8.613 -7.487 1.00 51.42 C ATOM 837 C PRO A 53 -1.332 -8.424 -6.406 1.00 73.10 C ATOM 838 O PRO A 53 -2.008 -9.373 -6.003 1.00 62.14 O ATOM 839 CB PRO A 53 -0.437 -7.549 -8.589 1.00 54.42 C ATOM 840 CG PRO A 53 -0.695 -8.294 -9.864 1.00 61.32 C ATOM 841 CD PRO A 53 -1.110 -9.685 -9.475 1.00 13.13 C ATOM 0 HA PRO A 53 0.684 -8.559 -6.962 1.00 51.42 H new ATOM 0 HB2 PRO A 53 -1.264 -6.878 -8.358 1.00 54.42 H new ATOM 0 HB3 PRO A 53 0.459 -6.934 -8.673 1.00 54.42 H new ATOM 0 HG2 PRO A 53 -1.476 -7.806 -10.446 1.00 61.32 H new ATOM 0 HG3 PRO A 53 0.199 -8.317 -10.487 1.00 61.32 H new ATOM 0 HD2 PRO A 53 -2.191 -9.769 -9.363 1.00 13.13 H new ATOM 0 HD3 PRO A 53 -0.808 -10.421 -10.220 1.00 13.13 H new ATOM 849 N ILE A 54 -1.468 -7.194 -5.931 1.00 61.13 N ATOM 850 CA ILE A 54 -2.414 -6.884 -4.871 1.00 12.41 C ATOM 851 C ILE A 54 -3.375 -5.780 -5.319 1.00 4.03 C ATOM 852 O ILE A 54 -2.955 -4.784 -5.911 1.00 25.10 O ATOM 853 CB ILE A 54 -1.685 -6.435 -3.583 1.00 33.12 C ATOM 854 CG1 ILE A 54 -0.577 -7.430 -3.217 1.00 64.21 C ATOM 855 CG2 ILE A 54 -2.673 -6.296 -2.430 1.00 74.03 C ATOM 856 CD1 ILE A 54 0.261 -7.003 -2.031 1.00 51.24 C ATOM 0 H ILE A 54 -0.933 -6.393 -6.265 1.00 61.13 H new ATOM 0 HA ILE A 54 -2.976 -7.793 -4.656 1.00 12.41 H new ATOM 0 HB ILE A 54 -1.230 -5.462 -3.769 1.00 33.12 H new ATOM 0 HG12 ILE A 54 -1.028 -8.398 -3.001 1.00 64.21 H new ATOM 0 HG13 ILE A 54 0.075 -7.567 -4.080 1.00 64.21 H new ATOM 0 HG21 ILE A 54 -2.142 -5.979 -1.532 1.00 74.03 H new ATOM 0 HG22 ILE A 54 -3.429 -5.553 -2.686 1.00 74.03 H new ATOM 0 HG23 ILE A 54 -3.156 -7.256 -2.247 1.00 74.03 H new ATOM 0 HD11 ILE A 54 1.023 -7.757 -1.833 1.00 51.24 H new ATOM 0 HD12 ILE A 54 0.742 -6.050 -2.250 1.00 51.24 H new ATOM 0 HD13 ILE A 54 -0.378 -6.894 -1.155 1.00 51.24 H new ATOM 868 N ALA A 55 -4.661 -5.971 -5.047 1.00 23.43 N ATOM 869 CA ALA A 55 -5.670 -4.975 -5.375 1.00 22.01 C ATOM 870 C ALA A 55 -5.880 -4.030 -4.199 1.00 31.41 C ATOM 871 O ALA A 55 -6.268 -4.457 -3.107 1.00 24.43 O ATOM 872 CB ALA A 55 -6.980 -5.647 -5.754 1.00 34.14 C ATOM 0 H ALA A 55 -5.029 -6.810 -4.599 1.00 23.43 H new ATOM 0 HA ALA A 55 -5.320 -4.397 -6.230 1.00 22.01 H new ATOM 0 HB1 ALA A 55 -7.722 -4.886 -5.996 1.00 34.14 H new ATOM 0 HB2 ALA A 55 -6.822 -6.289 -6.621 1.00 34.14 H new ATOM 0 HB3 ALA A 55 -7.336 -6.248 -4.917 1.00 34.14 H new ATOM 878 N LEU A 56 -5.616 -2.754 -4.421 1.00 63.51 N ATOM 879 CA LEU A 56 -5.709 -1.761 -3.363 1.00 55.50 C ATOM 880 C LEU A 56 -6.707 -0.677 -3.729 1.00 55.21 C ATOM 881 O LEU A 56 -6.718 -0.199 -4.857 1.00 34.15 O ATOM 882 CB LEU A 56 -4.348 -1.112 -3.133 1.00 61.51 C ATOM 883 CG LEU A 56 -3.174 -2.080 -3.007 1.00 42.42 C ATOM 884 CD1 LEU A 56 -1.862 -1.320 -2.984 1.00 62.54 C ATOM 885 CD2 LEU A 56 -3.313 -2.928 -1.756 1.00 43.31 C ATOM 0 H LEU A 56 -5.335 -2.380 -5.327 1.00 63.51 H new ATOM 0 HA LEU A 56 -6.040 -2.267 -2.456 1.00 55.50 H new ATOM 0 HB2 LEU A 56 -4.146 -0.428 -3.958 1.00 61.51 H new ATOM 0 HB3 LEU A 56 -4.400 -0.510 -2.226 1.00 61.51 H new ATOM 0 HG LEU A 56 -3.179 -2.740 -3.874 1.00 42.42 H new ATOM 0 HD11 LEU A 56 -1.035 -2.024 -2.894 1.00 62.54 H new ATOM 0 HD12 LEU A 56 -1.755 -0.751 -3.907 1.00 62.54 H new ATOM 0 HD13 LEU A 56 -1.852 -0.638 -2.134 1.00 62.54 H new ATOM 0 HD21 LEU A 56 -2.467 -3.611 -1.684 1.00 43.31 H new ATOM 0 HD22 LEU A 56 -3.333 -2.282 -0.879 1.00 43.31 H new ATOM 0 HD23 LEU A 56 -4.239 -3.501 -1.806 1.00 43.31 H new ATOM 897 N ARG A 57 -7.529 -0.282 -2.774 1.00 60.11 N ATOM 898 CA ARG A 57 -8.455 0.819 -2.980 1.00 62.10 C ATOM 899 C ARG A 57 -7.887 2.066 -2.317 1.00 51.11 C ATOM 900 O ARG A 57 -7.827 2.160 -1.092 1.00 2.43 O ATOM 901 CB ARG A 57 -9.842 0.468 -2.418 1.00 31.35 C ATOM 902 CG ARG A 57 -10.956 1.433 -2.815 1.00 43.41 C ATOM 903 CD ARG A 57 -10.931 2.715 -1.994 1.00 20.00 C ATOM 904 NE ARG A 57 -11.998 3.636 -2.378 1.00 20.12 N ATOM 905 CZ ARG A 57 -12.144 4.861 -1.878 1.00 60.02 C ATOM 906 NH1 ARG A 57 -11.294 5.325 -0.970 1.00 3.21 N ATOM 907 NH2 ARG A 57 -13.145 5.625 -2.286 1.00 13.24 N ATOM 0 H ARG A 57 -7.575 -0.707 -1.848 1.00 60.11 H new ATOM 0 HA ARG A 57 -8.577 1.008 -4.047 1.00 62.10 H new ATOM 0 HB2 ARG A 57 -10.112 -0.534 -2.753 1.00 31.35 H new ATOM 0 HB3 ARG A 57 -9.780 0.434 -1.330 1.00 31.35 H new ATOM 0 HG2 ARG A 57 -10.860 1.680 -3.872 1.00 43.41 H new ATOM 0 HG3 ARG A 57 -11.921 0.942 -2.688 1.00 43.41 H new ATOM 0 HD2 ARG A 57 -11.028 2.469 -0.937 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -9.966 3.206 -2.120 1.00 20.00 H new ATOM 0 HE ARG A 57 -12.674 3.320 -3.073 1.00 20.12 H new ATOM 0 HH11 ARG A 57 -10.521 4.742 -0.650 1.00 3.21 H new ATOM 0 HH12 ARG A 57 -11.414 6.265 -0.593 1.00 3.21 H new ATOM 0 HH21 ARG A 57 -13.803 5.275 -2.982 1.00 13.24 H new ATOM 0 HH22 ARG A 57 -13.258 6.564 -1.904 1.00 13.24 H new ATOM 921 N LEU A 58 -7.456 3.016 -3.128 1.00 64.43 N ATOM 922 CA LEU A 58 -6.807 4.209 -2.621 1.00 44.41 C ATOM 923 C LEU A 58 -7.168 5.424 -3.462 1.00 73.02 C ATOM 924 O LEU A 58 -7.496 5.290 -4.642 1.00 72.33 O ATOM 925 CB LEU A 58 -5.283 4.003 -2.577 1.00 0.22 C ATOM 926 CG LEU A 58 -4.643 3.416 -3.847 1.00 12.31 C ATOM 927 CD1 LEU A 58 -4.442 4.485 -4.912 1.00 3.04 C ATOM 928 CD2 LEU A 58 -3.321 2.745 -3.509 1.00 24.22 C ATOM 0 H LEU A 58 -7.545 2.983 -4.144 1.00 64.43 H new ATOM 0 HA LEU A 58 -7.162 4.392 -1.607 1.00 44.41 H new ATOM 0 HB2 LEU A 58 -4.813 4.964 -2.368 1.00 0.22 H new ATOM 0 HB3 LEU A 58 -5.050 3.345 -1.740 1.00 0.22 H new ATOM 0 HG LEU A 58 -5.325 2.668 -4.252 1.00 12.31 H new ATOM 0 HD11 LEU A 58 -3.988 4.037 -5.796 1.00 3.04 H new ATOM 0 HD12 LEU A 58 -5.406 4.918 -5.179 1.00 3.04 H new ATOM 0 HD13 LEU A 58 -3.788 5.266 -4.525 1.00 3.04 H new ATOM 0 HD21 LEU A 58 -2.879 2.334 -4.417 1.00 24.22 H new ATOM 0 HD22 LEU A 58 -2.642 3.478 -3.074 1.00 24.22 H new ATOM 0 HD23 LEU A 58 -3.493 1.941 -2.793 1.00 24.22 H new ATOM 940 N ARG A 59 -7.141 6.596 -2.825 1.00 75.50 N ATOM 941 CA ARG A 59 -7.361 7.885 -3.493 1.00 42.24 C ATOM 942 C ARG A 59 -8.834 8.071 -3.878 1.00 44.45 C ATOM 943 O ARG A 59 -9.408 9.134 -3.659 1.00 64.23 O ATOM 944 CB ARG A 59 -6.442 8.006 -4.722 1.00 11.34 C ATOM 945 CG ARG A 59 -6.227 9.426 -5.242 1.00 23.41 C ATOM 946 CD ARG A 59 -7.396 9.922 -6.075 1.00 54.43 C ATOM 947 NE ARG A 59 -7.085 11.173 -6.767 1.00 33.31 N ATOM 948 CZ ARG A 59 -7.636 11.537 -7.923 1.00 31.24 C ATOM 949 NH1 ARG A 59 -8.543 10.756 -8.500 1.00 13.11 N ATOM 950 NH2 ARG A 59 -7.287 12.680 -8.500 1.00 34.13 N ATOM 0 H ARG A 59 -6.965 6.681 -1.824 1.00 75.50 H new ATOM 0 HA ARG A 59 -7.110 8.683 -2.794 1.00 42.24 H new ATOM 0 HB2 ARG A 59 -5.471 7.578 -4.472 1.00 11.34 H new ATOM 0 HB3 ARG A 59 -6.859 7.402 -5.527 1.00 11.34 H new ATOM 0 HG2 ARG A 59 -6.074 10.099 -4.399 1.00 23.41 H new ATOM 0 HG3 ARG A 59 -5.318 9.456 -5.843 1.00 23.41 H new ATOM 0 HD2 ARG A 59 -7.668 9.161 -6.807 1.00 54.43 H new ATOM 0 HD3 ARG A 59 -8.263 10.070 -5.431 1.00 54.43 H new ATOM 0 HE ARG A 59 -6.407 11.803 -6.339 1.00 33.31 H new ATOM 0 HH11 ARG A 59 -8.816 9.879 -8.057 1.00 13.11 H new ATOM 0 HH12 ARG A 59 -8.966 11.034 -9.386 1.00 13.11 H new ATOM 0 HH21 ARG A 59 -6.594 13.284 -8.058 1.00 34.13 H new ATOM 0 HH22 ARG A 59 -7.712 12.955 -9.386 1.00 34.13 H new ATOM 964 N GLY A 60 -9.436 7.039 -4.447 1.00 31.50 N ATOM 965 CA GLY A 60 -10.827 7.111 -4.844 1.00 44.02 C ATOM 966 C GLY A 60 -11.323 5.812 -5.442 1.00 72.11 C ATOM 967 O GLY A 60 -12.526 5.545 -5.452 1.00 3.05 O ATOM 0 H GLY A 60 -8.983 6.146 -4.642 1.00 31.50 H new ATOM 0 HA2 GLY A 60 -11.437 7.365 -3.977 1.00 44.02 H new ATOM 0 HA3 GLY A 60 -10.954 7.914 -5.570 1.00 44.02 H new ATOM 971 N TYR A 61 -10.397 4.994 -5.930 1.00 63.23 N ATOM 972 CA TYR A 61 -10.751 3.738 -6.574 1.00 32.15 C ATOM 973 C TYR A 61 -9.717 2.661 -6.284 1.00 71.12 C ATOM 974 O TYR A 61 -8.668 2.930 -5.697 1.00 72.33 O ATOM 975 CB TYR A 61 -10.877 3.927 -8.089 1.00 61.15 C ATOM 976 CG TYR A 61 -9.657 4.556 -8.737 1.00 72.25 C ATOM 977 CD1 TYR A 61 -8.551 3.785 -9.072 1.00 65.40 C ATOM 978 CD2 TYR A 61 -9.608 5.920 -9.006 1.00 64.12 C ATOM 979 CE1 TYR A 61 -7.436 4.349 -9.659 1.00 44.34 C ATOM 980 CE2 TYR A 61 -8.496 6.492 -9.594 1.00 41.44 C ATOM 981 CZ TYR A 61 -7.411 5.702 -9.916 1.00 54.43 C ATOM 982 OH TYR A 61 -6.301 6.266 -10.503 1.00 2.42 O ATOM 0 H TYR A 61 -9.395 5.180 -5.891 1.00 63.23 H new ATOM 0 HA TYR A 61 -11.711 3.420 -6.168 1.00 32.15 H new ATOM 0 HB2 TYR A 61 -11.062 2.957 -8.551 1.00 61.15 H new ATOM 0 HB3 TYR A 61 -11.747 4.550 -8.296 1.00 61.15 H new ATOM 0 HD1 TYR A 61 -8.564 2.724 -8.869 1.00 65.40 H new ATOM 0 HD2 TYR A 61 -10.453 6.542 -8.751 1.00 64.12 H new ATOM 0 HE1 TYR A 61 -6.587 3.732 -9.915 1.00 44.34 H new ATOM 0 HE2 TYR A 61 -8.476 7.552 -9.801 1.00 41.44 H new ATOM 0 HH TYR A 61 -6.445 7.229 -10.617 1.00 2.42 H new ATOM 992 N SER A 62 -10.030 1.446 -6.695 1.00 11.43 N ATOM 993 CA SER A 62 -9.116 0.334 -6.582 1.00 53.34 C ATOM 994 C SER A 62 -8.157 0.284 -7.770 1.00 11.41 C ATOM 995 O SER A 62 -8.543 0.549 -8.911 1.00 65.14 O ATOM 996 CB SER A 62 -9.915 -0.958 -6.495 1.00 13.23 C ATOM 997 OG SER A 62 -11.093 -0.778 -5.725 1.00 13.34 O ATOM 0 H SER A 62 -10.927 1.206 -7.117 1.00 11.43 H new ATOM 0 HA SER A 62 -8.517 0.460 -5.680 1.00 53.34 H new ATOM 0 HB2 SER A 62 -10.180 -1.294 -7.498 1.00 13.23 H new ATOM 0 HB3 SER A 62 -9.301 -1.740 -6.049 1.00 13.23 H new ATOM 0 HG SER A 62 -11.590 -1.622 -5.685 1.00 13.34 H new ATOM 1003 N LEU A 63 -6.909 -0.049 -7.494 1.00 12.25 N ATOM 1004 CA LEU A 63 -5.888 -0.145 -8.524 1.00 31.22 C ATOM 1005 C LEU A 63 -4.945 -1.301 -8.199 1.00 64.03 C ATOM 1006 O LEU A 63 -4.814 -1.691 -7.036 1.00 71.14 O ATOM 1007 CB LEU A 63 -5.122 1.178 -8.619 1.00 3.55 C ATOM 1008 CG LEU A 63 -4.194 1.322 -9.825 1.00 43.23 C ATOM 1009 CD1 LEU A 63 -4.969 1.133 -11.121 1.00 64.54 C ATOM 1010 CD2 LEU A 63 -3.517 2.684 -9.805 1.00 50.03 C ATOM 0 H LEU A 63 -6.575 -0.260 -6.554 1.00 12.25 H new ATOM 0 HA LEU A 63 -6.355 -0.339 -9.490 1.00 31.22 H new ATOM 0 HB2 LEU A 63 -5.844 1.994 -8.640 1.00 3.55 H new ATOM 0 HB3 LEU A 63 -4.530 1.300 -7.712 1.00 3.55 H new ATOM 0 HG LEU A 63 -3.428 0.549 -9.769 1.00 43.23 H new ATOM 0 HD11 LEU A 63 -4.292 1.239 -11.969 1.00 64.54 H new ATOM 0 HD12 LEU A 63 -5.416 0.139 -11.136 1.00 64.54 H new ATOM 0 HD13 LEU A 63 -5.755 1.885 -11.188 1.00 64.54 H new ATOM 0 HD21 LEU A 63 -2.858 2.776 -10.669 1.00 50.03 H new ATOM 0 HD22 LEU A 63 -4.274 3.467 -9.841 1.00 50.03 H new ATOM 0 HD23 LEU A 63 -2.933 2.786 -8.891 1.00 50.03 H new ATOM 1022 N SER A 64 -4.309 -1.857 -9.219 1.00 71.54 N ATOM 1023 CA SER A 64 -3.436 -2.999 -9.047 1.00 74.14 C ATOM 1024 C SER A 64 -1.989 -2.575 -8.814 1.00 70.24 C ATOM 1025 O SER A 64 -1.391 -1.883 -9.640 1.00 15.22 O ATOM 1026 CB SER A 64 -3.536 -3.892 -10.280 1.00 23.20 C ATOM 1027 OG SER A 64 -3.580 -3.122 -11.471 1.00 22.15 O ATOM 0 H SER A 64 -4.385 -1.529 -10.182 1.00 71.54 H new ATOM 0 HA SER A 64 -3.756 -3.549 -8.162 1.00 74.14 H new ATOM 0 HB2 SER A 64 -2.681 -4.568 -10.313 1.00 23.20 H new ATOM 0 HB3 SER A 64 -4.430 -4.512 -10.212 1.00 23.20 H new ATOM 0 HG SER A 64 -3.642 -3.720 -12.245 1.00 22.15 H new ATOM 1033 N LEU A 65 -1.436 -2.983 -7.680 1.00 61.43 N ATOM 1034 CA LEU A 65 -0.032 -2.737 -7.380 1.00 24.41 C ATOM 1035 C LEU A 65 0.702 -4.063 -7.214 1.00 45.24 C ATOM 1036 O LEU A 65 0.152 -5.019 -6.667 1.00 3.43 O ATOM 1037 CB LEU A 65 0.135 -1.882 -6.113 1.00 34.15 C ATOM 1038 CG LEU A 65 -0.058 -0.367 -6.288 1.00 72.40 C ATOM 1039 CD1 LEU A 65 0.844 0.171 -7.390 1.00 62.45 C ATOM 1040 CD2 LEU A 65 -1.513 -0.023 -6.569 1.00 61.24 C ATOM 0 H LEU A 65 -1.940 -3.487 -6.951 1.00 61.43 H new ATOM 0 HA LEU A 65 0.397 -2.183 -8.215 1.00 24.41 H new ATOM 0 HB2 LEU A 65 -0.576 -2.234 -5.366 1.00 34.15 H new ATOM 0 HB3 LEU A 65 1.133 -2.056 -5.711 1.00 34.15 H new ATOM 0 HG LEU A 65 0.223 0.112 -5.350 1.00 72.40 H new ATOM 0 HD11 LEU A 65 0.689 1.245 -7.495 1.00 62.45 H new ATOM 0 HD12 LEU A 65 1.886 -0.022 -7.134 1.00 62.45 H new ATOM 0 HD13 LEU A 65 0.604 -0.324 -8.331 1.00 62.45 H new ATOM 0 HD21 LEU A 65 -1.615 1.056 -6.688 1.00 61.24 H new ATOM 0 HD22 LEU A 65 -1.834 -0.521 -7.484 1.00 61.24 H new ATOM 0 HD23 LEU A 65 -2.133 -0.357 -5.737 1.00 61.24 H new ATOM 1052 N ARG A 66 1.934 -4.122 -7.695 1.00 61.44 N ATOM 1053 CA ARG A 66 2.716 -5.351 -7.644 1.00 72.03 C ATOM 1054 C ARG A 66 3.507 -5.431 -6.351 1.00 24.33 C ATOM 1055 O ARG A 66 3.707 -4.423 -5.671 1.00 70.32 O ATOM 1056 CB ARG A 66 3.681 -5.433 -8.830 1.00 74.33 C ATOM 1057 CG ARG A 66 3.081 -5.997 -10.113 1.00 14.30 C ATOM 1058 CD ARG A 66 1.854 -5.228 -10.573 1.00 21.35 C ATOM 1059 NE ARG A 66 2.091 -3.789 -10.633 1.00 23.34 N ATOM 1060 CZ ARG A 66 1.277 -2.926 -11.230 1.00 62.41 C ATOM 1061 NH1 ARG A 66 0.255 -3.360 -11.962 1.00 23.30 N ATOM 1062 NH2 ARG A 66 1.510 -1.625 -11.123 1.00 22.22 N ATOM 0 H ARG A 66 2.416 -3.333 -8.126 1.00 61.44 H new ATOM 0 HA ARG A 66 2.018 -6.187 -7.692 1.00 72.03 H new ATOM 0 HB2 ARG A 66 4.066 -4.434 -9.035 1.00 74.33 H new ATOM 0 HB3 ARG A 66 4.533 -6.050 -8.544 1.00 74.33 H new ATOM 0 HG2 ARG A 66 3.834 -5.977 -10.901 1.00 14.30 H new ATOM 0 HG3 ARG A 66 2.812 -7.042 -9.955 1.00 14.30 H new ATOM 0 HD2 ARG A 66 1.552 -5.585 -11.558 1.00 21.35 H new ATOM 0 HD3 ARG A 66 1.026 -5.429 -9.893 1.00 21.35 H new ATOM 0 HE ARG A 66 2.934 -3.424 -10.189 1.00 23.34 H new ATOM 0 HH11 ARG A 66 0.092 -4.361 -12.068 1.00 23.30 H new ATOM 0 HH12 ARG A 66 -0.366 -2.691 -12.418 1.00 23.30 H new ATOM 0 HH21 ARG A 66 2.310 -1.293 -10.585 1.00 22.22 H new ATOM 0 HH22 ARG A 66 0.889 -0.956 -11.579 1.00 22.22 H new ATOM 1076 N LYS A 67 3.954 -6.637 -6.025 1.00 61.15 N ATOM 1077 CA LYS A 67 4.790 -6.871 -4.856 1.00 52.02 C ATOM 1078 C LYS A 67 6.043 -5.997 -4.895 1.00 44.12 C ATOM 1079 O LYS A 67 6.540 -5.564 -3.855 1.00 72.10 O ATOM 1080 CB LYS A 67 5.178 -8.352 -4.794 1.00 23.42 C ATOM 1081 CG LYS A 67 5.928 -8.752 -3.533 1.00 54.21 C ATOM 1082 CD LYS A 67 6.281 -10.231 -3.550 1.00 72.25 C ATOM 1083 CE LYS A 67 7.022 -10.640 -2.289 1.00 65.51 C ATOM 1084 NZ LYS A 67 7.418 -12.072 -2.311 1.00 43.54 N ATOM 0 H LYS A 67 3.747 -7.479 -6.563 1.00 61.15 H new ATOM 0 HA LYS A 67 4.224 -6.606 -3.963 1.00 52.02 H new ATOM 0 HB2 LYS A 67 4.274 -8.956 -4.871 1.00 23.42 H new ATOM 0 HB3 LYS A 67 5.795 -8.590 -5.660 1.00 23.42 H new ATOM 0 HG2 LYS A 67 6.838 -8.159 -3.444 1.00 54.21 H new ATOM 0 HG3 LYS A 67 5.317 -8.531 -2.658 1.00 54.21 H new ATOM 0 HD2 LYS A 67 5.371 -10.823 -3.646 1.00 72.25 H new ATOM 0 HD3 LYS A 67 6.897 -10.449 -4.422 1.00 72.25 H new ATOM 0 HE2 LYS A 67 7.912 -10.020 -2.175 1.00 65.51 H new ATOM 0 HE3 LYS A 67 6.390 -10.453 -1.421 1.00 65.51 H new ATOM 0 HZ1 LYS A 67 7.921 -12.307 -1.431 1.00 43.54 H new ATOM 0 HZ2 LYS A 67 6.568 -12.666 -2.393 1.00 43.54 H new ATOM 0 HZ3 LYS A 67 8.043 -12.247 -3.124 1.00 43.54 H new ATOM 1098 N SER A 68 6.539 -5.739 -6.103 1.00 24.50 N ATOM 1099 CA SER A 68 7.702 -4.884 -6.291 1.00 33.34 C ATOM 1100 C SER A 68 7.440 -3.484 -5.736 1.00 23.34 C ATOM 1101 O SER A 68 8.166 -3.013 -4.860 1.00 64.50 O ATOM 1102 CB SER A 68 8.060 -4.797 -7.777 1.00 60.40 C ATOM 1103 OG SER A 68 8.185 -6.088 -8.351 1.00 63.00 O ATOM 0 H SER A 68 6.149 -6.113 -6.968 1.00 24.50 H new ATOM 0 HA SER A 68 8.539 -5.322 -5.747 1.00 33.34 H new ATOM 0 HB2 SER A 68 7.292 -4.234 -8.306 1.00 60.40 H new ATOM 0 HB3 SER A 68 8.996 -4.251 -7.897 1.00 60.40 H new ATOM 0 HG SER A 68 8.412 -6.003 -9.301 1.00 63.00 H new ATOM 1109 N GLU A 69 6.382 -2.840 -6.225 1.00 63.14 N ATOM 1110 CA GLU A 69 6.052 -1.479 -5.809 1.00 55.21 C ATOM 1111 C GLU A 69 5.682 -1.442 -4.333 1.00 62.31 C ATOM 1112 O GLU A 69 6.013 -0.497 -3.619 1.00 5.51 O ATOM 1113 CB GLU A 69 4.888 -0.906 -6.627 1.00 2.24 C ATOM 1114 CG GLU A 69 5.171 -0.764 -8.114 1.00 4.43 C ATOM 1115 CD GLU A 69 4.908 -2.035 -8.893 1.00 30.23 C ATOM 1116 OE1 GLU A 69 3.734 -2.295 -9.226 1.00 34.31 O ATOM 1117 OE2 GLU A 69 5.871 -2.774 -9.183 1.00 24.35 O ATOM 0 H GLU A 69 5.739 -3.239 -6.909 1.00 63.14 H new ATOM 0 HA GLU A 69 6.939 -0.869 -5.982 1.00 55.21 H new ATOM 0 HB2 GLU A 69 4.017 -1.549 -6.496 1.00 2.24 H new ATOM 0 HB3 GLU A 69 4.625 0.073 -6.225 1.00 2.24 H new ATOM 0 HG2 GLU A 69 4.554 0.038 -8.520 1.00 4.43 H new ATOM 0 HG3 GLU A 69 6.211 -0.468 -8.253 1.00 4.43 H new ATOM 1124 N ALA A 70 5.001 -2.485 -3.887 1.00 22.32 N ATOM 1125 CA ALA A 70 4.535 -2.572 -2.513 1.00 22.11 C ATOM 1126 C ALA A 70 5.698 -2.631 -1.521 1.00 55.21 C ATOM 1127 O ALA A 70 5.535 -2.318 -0.344 1.00 52.31 O ATOM 1128 CB ALA A 70 3.628 -3.779 -2.344 1.00 61.10 C ATOM 0 H ALA A 70 4.757 -3.290 -4.463 1.00 22.32 H new ATOM 0 HA ALA A 70 3.968 -1.667 -2.296 1.00 22.11 H new ATOM 0 HB1 ALA A 70 3.285 -3.834 -1.311 1.00 61.10 H new ATOM 0 HB2 ALA A 70 2.768 -3.684 -3.007 1.00 61.10 H new ATOM 0 HB3 ALA A 70 4.179 -4.686 -2.592 1.00 61.10 H new ATOM 1134 N LYS A 71 6.863 -3.045 -1.988 1.00 1.13 N ATOM 1135 CA LYS A 71 8.036 -3.117 -1.127 1.00 74.50 C ATOM 1136 C LYS A 71 8.718 -1.748 -1.016 1.00 50.53 C ATOM 1137 O LYS A 71 9.271 -1.403 0.032 1.00 13.10 O ATOM 1138 CB LYS A 71 9.015 -4.168 -1.663 1.00 12.11 C ATOM 1139 CG LYS A 71 10.290 -4.304 -0.843 1.00 32.04 C ATOM 1140 CD LYS A 71 9.992 -4.621 0.616 1.00 34.43 C ATOM 1141 CE LYS A 71 11.267 -4.715 1.434 1.00 50.03 C ATOM 1142 NZ LYS A 71 10.993 -4.814 2.893 1.00 41.12 N ATOM 0 H LYS A 71 7.024 -3.335 -2.952 1.00 1.13 H new ATOM 0 HA LYS A 71 7.716 -3.412 -0.128 1.00 74.50 H new ATOM 0 HB2 LYS A 71 8.512 -5.134 -1.696 1.00 12.11 H new ATOM 0 HB3 LYS A 71 9.281 -3.912 -2.689 1.00 12.11 H new ATOM 0 HG2 LYS A 71 10.912 -5.092 -1.267 1.00 32.04 H new ATOM 0 HG3 LYS A 71 10.862 -3.378 -0.904 1.00 32.04 H new ATOM 0 HD2 LYS A 71 9.346 -3.848 1.033 1.00 34.43 H new ATOM 0 HD3 LYS A 71 9.446 -5.562 0.681 1.00 34.43 H new ATOM 0 HE2 LYS A 71 11.839 -5.586 1.114 1.00 50.03 H new ATOM 0 HE3 LYS A 71 11.886 -3.839 1.241 1.00 50.03 H new ATOM 0 HZ1 LYS A 71 11.892 -4.876 3.412 1.00 41.12 H new ATOM 0 HZ2 LYS A 71 10.470 -3.971 3.206 1.00 41.12 H new ATOM 0 HZ3 LYS A 71 10.425 -5.664 3.083 1.00 41.12 H new ATOM 1156 N ASP A 72 8.643 -0.966 -2.086 1.00 20.42 N ATOM 1157 CA ASP A 72 9.305 0.337 -2.146 1.00 34.24 C ATOM 1158 C ASP A 72 8.451 1.435 -1.511 1.00 13.55 C ATOM 1159 O ASP A 72 8.865 2.595 -1.435 1.00 34.20 O ATOM 1160 CB ASP A 72 9.632 0.700 -3.599 1.00 23.01 C ATOM 1161 CG ASP A 72 10.787 -0.105 -4.171 1.00 13.02 C ATOM 1162 OD1 ASP A 72 10.557 -1.226 -4.668 1.00 3.23 O ATOM 1163 OD2 ASP A 72 11.931 0.392 -4.144 1.00 13.11 O ATOM 0 H ASP A 72 8.127 -1.212 -2.931 1.00 20.42 H new ATOM 0 HA ASP A 72 10.231 0.263 -1.576 1.00 34.24 H new ATOM 0 HB2 ASP A 72 8.747 0.541 -4.215 1.00 23.01 H new ATOM 0 HB3 ASP A 72 9.874 1.761 -3.656 1.00 23.01 H new ATOM 1168 N ILE A 73 7.261 1.071 -1.054 1.00 55.25 N ATOM 1169 CA ILE A 73 6.386 2.017 -0.372 1.00 30.34 C ATOM 1170 C ILE A 73 6.353 1.733 1.125 1.00 73.01 C ATOM 1171 O ILE A 73 6.017 0.623 1.543 1.00 13.51 O ATOM 1172 CB ILE A 73 4.941 1.972 -0.914 1.00 20.52 C ATOM 1173 CG1 ILE A 73 4.914 2.276 -2.414 1.00 34.33 C ATOM 1174 CG2 ILE A 73 4.059 2.959 -0.158 1.00 25.44 C ATOM 1175 CD1 ILE A 73 3.530 2.184 -3.024 1.00 54.01 C ATOM 0 H ILE A 73 6.879 0.129 -1.142 1.00 55.25 H new ATOM 0 HA ILE A 73 6.796 3.009 -0.560 1.00 30.34 H new ATOM 0 HB ILE A 73 4.551 0.966 -0.761 1.00 20.52 H new ATOM 0 HG12 ILE A 73 5.310 3.278 -2.581 1.00 34.33 H new ATOM 0 HG13 ILE A 73 5.577 1.581 -2.930 1.00 34.33 H new ATOM 0 HG21 ILE A 73 3.044 2.915 -0.552 1.00 25.44 H new ATOM 0 HG22 ILE A 73 4.049 2.701 0.901 1.00 25.44 H new ATOM 0 HG23 ILE A 73 4.453 3.968 -0.282 1.00 25.44 H new ATOM 0 HD11 ILE A 73 3.586 2.412 -4.089 1.00 54.01 H new ATOM 0 HD12 ILE A 73 3.139 1.176 -2.888 1.00 54.01 H new ATOM 0 HD13 ILE A 73 2.868 2.899 -2.534 1.00 54.01 H new ATOM 1187 N LEU A 74 6.708 2.732 1.925 1.00 32.30 N ATOM 1188 CA LEU A 74 6.638 2.615 3.374 1.00 1.13 C ATOM 1189 C LEU A 74 5.318 3.185 3.886 1.00 42.43 C ATOM 1190 O LEU A 74 4.997 4.355 3.649 1.00 55.32 O ATOM 1191 CB LEU A 74 7.814 3.340 4.033 1.00 12.41 C ATOM 1192 CG LEU A 74 9.197 2.762 3.720 1.00 11.34 C ATOM 1193 CD1 LEU A 74 10.288 3.600 4.371 1.00 21.13 C ATOM 1194 CD2 LEU A 74 9.289 1.315 4.183 1.00 31.15 C ATOM 0 H LEU A 74 7.048 3.634 1.592 1.00 32.30 H new ATOM 0 HA LEU A 74 6.693 1.558 3.636 1.00 1.13 H new ATOM 0 HB2 LEU A 74 7.796 4.385 3.722 1.00 12.41 H new ATOM 0 HB3 LEU A 74 7.669 3.327 5.113 1.00 12.41 H new ATOM 0 HG LEU A 74 9.342 2.788 2.640 1.00 11.34 H new ATOM 0 HD11 LEU A 74 11.263 3.173 4.137 1.00 21.13 H new ATOM 0 HD12 LEU A 74 10.238 4.621 3.991 1.00 21.13 H new ATOM 0 HD13 LEU A 74 10.145 3.607 5.452 1.00 21.13 H new ATOM 0 HD21 LEU A 74 10.279 0.921 3.952 1.00 31.15 H new ATOM 0 HD22 LEU A 74 9.121 1.266 5.259 1.00 31.15 H new ATOM 0 HD23 LEU A 74 8.533 0.720 3.670 1.00 31.15 H new ATOM 1206 N VAL A 75 4.559 2.353 4.582 1.00 60.31 N ATOM 1207 CA VAL A 75 3.243 2.730 5.071 1.00 62.10 C ATOM 1208 C VAL A 75 3.097 2.415 6.554 1.00 4.45 C ATOM 1209 O VAL A 75 3.924 1.709 7.137 1.00 42.24 O ATOM 1210 CB VAL A 75 2.115 2.002 4.299 1.00 33.23 C ATOM 1211 CG1 VAL A 75 2.113 2.398 2.831 1.00 3.43 C ATOM 1212 CG2 VAL A 75 2.247 0.491 4.443 1.00 62.15 C ATOM 0 H VAL A 75 4.837 1.402 4.823 1.00 60.31 H new ATOM 0 HA VAL A 75 3.150 3.804 4.912 1.00 62.10 H new ATOM 0 HB VAL A 75 1.164 2.307 4.735 1.00 33.23 H new ATOM 0 HG11 VAL A 75 1.311 1.872 2.313 1.00 3.43 H new ATOM 0 HG12 VAL A 75 1.957 3.473 2.744 1.00 3.43 H new ATOM 0 HG13 VAL A 75 3.070 2.133 2.381 1.00 3.43 H new ATOM 0 HG21 VAL A 75 1.444 0.001 3.892 1.00 62.15 H new ATOM 0 HG22 VAL A 75 3.209 0.170 4.043 1.00 62.15 H new ATOM 0 HG23 VAL A 75 2.183 0.219 5.497 1.00 62.15 H new ATOM 1222 N GLU A 76 2.046 2.948 7.154 1.00 34.10 N ATOM 1223 CA GLU A 76 1.711 2.645 8.535 1.00 12.32 C ATOM 1224 C GLU A 76 0.249 2.233 8.617 1.00 31.02 C ATOM 1225 O GLU A 76 -0.584 2.730 7.854 1.00 52.03 O ATOM 1226 CB GLU A 76 1.980 3.852 9.440 1.00 22.32 C ATOM 1227 CG GLU A 76 1.703 3.592 10.914 1.00 2.22 C ATOM 1228 CD GLU A 76 2.127 4.743 11.797 1.00 53.34 C ATOM 1229 OE1 GLU A 76 1.354 5.707 11.940 1.00 21.45 O ATOM 1230 OE2 GLU A 76 3.247 4.696 12.346 1.00 31.40 O ATOM 0 H GLU A 76 1.405 3.599 6.701 1.00 34.10 H new ATOM 0 HA GLU A 76 2.339 1.824 8.881 1.00 12.32 H new ATOM 0 HB2 GLU A 76 3.020 4.156 9.324 1.00 22.32 H new ATOM 0 HB3 GLU A 76 1.365 4.688 9.107 1.00 22.32 H new ATOM 0 HG2 GLU A 76 0.638 3.406 11.052 1.00 2.22 H new ATOM 0 HG3 GLU A 76 2.227 2.688 11.225 1.00 2.22 H new ATOM 1237 N VAL A 77 -0.053 1.318 9.522 1.00 31.35 N ATOM 1238 CA VAL A 77 -1.405 0.813 9.671 1.00 21.45 C ATOM 1239 C VAL A 77 -2.287 1.834 10.396 1.00 22.33 C ATOM 1240 O VAL A 77 -1.917 2.371 11.439 1.00 14.24 O ATOM 1241 CB VAL A 77 -1.411 -0.547 10.413 1.00 24.45 C ATOM 1242 CG1 VAL A 77 -0.831 -0.418 11.814 1.00 13.42 C ATOM 1243 CG2 VAL A 77 -2.812 -1.131 10.460 1.00 21.13 C ATOM 0 H VAL A 77 0.623 0.909 10.167 1.00 31.35 H new ATOM 0 HA VAL A 77 -1.818 0.653 8.675 1.00 21.45 H new ATOM 0 HB VAL A 77 -0.774 -1.232 9.853 1.00 24.45 H new ATOM 0 HG11 VAL A 77 -0.850 -1.390 12.307 1.00 13.42 H new ATOM 0 HG12 VAL A 77 0.198 -0.064 11.751 1.00 13.42 H new ATOM 0 HG13 VAL A 77 -1.425 0.292 12.390 1.00 13.42 H new ATOM 0 HG21 VAL A 77 -2.791 -2.086 10.986 1.00 21.13 H new ATOM 0 HG22 VAL A 77 -3.476 -0.443 10.984 1.00 21.13 H new ATOM 0 HG23 VAL A 77 -3.177 -1.284 9.444 1.00 21.13 H new ATOM 1253 N LEU A 78 -3.439 2.122 9.810 1.00 52.55 N ATOM 1254 CA LEU A 78 -4.382 3.063 10.398 1.00 44.54 C ATOM 1255 C LEU A 78 -5.440 2.315 11.180 1.00 75.20 C ATOM 1256 O LEU A 78 -6.203 2.907 11.946 1.00 52.00 O ATOM 1257 CB LEU A 78 -5.043 3.915 9.316 1.00 40.54 C ATOM 1258 CG LEU A 78 -4.085 4.750 8.467 1.00 31.10 C ATOM 1259 CD1 LEU A 78 -4.857 5.543 7.425 1.00 14.04 C ATOM 1260 CD2 LEU A 78 -3.259 5.678 9.343 1.00 3.42 C ATOM 0 H LEU A 78 -3.745 1.717 8.925 1.00 52.55 H new ATOM 0 HA LEU A 78 -3.834 3.722 11.071 1.00 44.54 H new ATOM 0 HB2 LEU A 78 -5.610 3.259 8.656 1.00 40.54 H new ATOM 0 HB3 LEU A 78 -5.759 4.585 9.791 1.00 40.54 H new ATOM 0 HG LEU A 78 -3.403 4.074 7.952 1.00 31.10 H new ATOM 0 HD11 LEU A 78 -4.162 6.133 6.828 1.00 14.04 H new ATOM 0 HD12 LEU A 78 -5.402 4.857 6.776 1.00 14.04 H new ATOM 0 HD13 LEU A 78 -5.562 6.208 7.923 1.00 14.04 H new ATOM 0 HD21 LEU A 78 -2.584 6.263 8.718 1.00 3.42 H new ATOM 0 HD22 LEU A 78 -3.922 6.350 9.888 1.00 3.42 H new ATOM 0 HD23 LEU A 78 -2.678 5.088 10.051 1.00 3.42 H new