USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 46 LYS NZ :NH3+ -140:sc= 0.459 (180deg=-0.027) USER MOD Set 1.2: A 66 THR OG1 : rot 140:sc= 0.108 USER MOD Set 2.1: A 7 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Set 2.2: A 67 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0314 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.186 (180deg=-0.258) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -10:sc= -2.35! USER MOD Single : A 23 SER OG : rot -132:sc= -0.0111 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -8:sc= 0.428 USER MOD Single : A 34 GLN : amide:sc= 1.1 K(o=1.1,f=-1.6!) USER MOD Single : A 37 THR OG1 : rot -140:sc= -3.68! USER MOD Single : A 38 GLN : amide:sc= -0.0564 X(o=-0.056,f=-0.43) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.193 X(o=-0.19,f=0.097) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= -0.211 (180deg=-0.908) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.225 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.566 USER MOD Single : A 63 HIS : no HE2:sc= 0.6 K(o=0.6,f=-1.9!) USER MOD Single : A 65 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.052) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.718 5.684 6.624 1.00 0.84 N ATOM 2 CA MET A 1 9.668 4.706 6.193 1.00 0.51 C ATOM 3 C MET A 1 8.284 5.183 6.655 1.00 0.48 C ATOM 4 O MET A 1 8.155 5.869 7.657 1.00 0.62 O ATOM 5 CB MET A 1 9.960 3.328 6.801 1.00 0.74 C ATOM 6 CG MET A 1 10.463 2.386 5.706 1.00 0.95 C ATOM 7 SD MET A 1 11.306 0.971 6.455 1.00 1.19 S ATOM 8 CE MET A 1 11.045 -0.190 5.092 1.00 1.68 C ATOM 0 H1 MET A 1 11.596 5.174 6.849 1.00 0.84 H new ATOM 0 H2 MET A 1 10.898 6.361 5.856 1.00 0.84 H new ATOM 0 H3 MET A 1 10.390 6.197 7.467 1.00 0.84 H new ATOM 0 HA MET A 1 9.680 4.634 5.105 1.00 0.51 H new ATOM 0 HB2 MET A 1 10.706 3.417 7.590 1.00 0.74 H new ATOM 0 HB3 MET A 1 9.058 2.922 7.259 1.00 0.74 H new ATOM 0 HG2 MET A 1 9.627 2.042 5.097 1.00 0.95 H new ATOM 0 HG3 MET A 1 11.144 2.917 5.041 1.00 0.95 H new ATOM 0 HE1 MET A 1 11.493 -1.152 5.342 1.00 1.68 H new ATOM 0 HE2 MET A 1 9.976 -0.321 4.925 1.00 1.68 H new ATOM 0 HE3 MET A 1 11.509 0.202 4.187 1.00 1.68 H new ATOM 18 N ILE A 2 7.251 4.823 5.929 1.00 0.38 N ATOM 19 CA ILE A 2 5.868 5.247 6.311 1.00 0.38 C ATOM 20 C ILE A 2 4.937 4.030 6.360 1.00 0.34 C ATOM 21 O ILE A 2 5.206 3.002 5.762 1.00 0.36 O ATOM 22 CB ILE A 2 5.324 6.253 5.288 1.00 0.39 C ATOM 23 CG1 ILE A 2 5.375 5.649 3.878 1.00 0.39 C ATOM 24 CG2 ILE A 2 6.167 7.530 5.324 1.00 0.47 C ATOM 25 CD1 ILE A 2 4.245 6.231 3.028 1.00 0.58 C ATOM 0 H ILE A 2 7.308 4.252 5.086 1.00 0.38 H new ATOM 0 HA ILE A 2 5.909 5.713 7.295 1.00 0.38 H new ATOM 0 HB ILE A 2 4.290 6.490 5.540 1.00 0.39 H new ATOM 0 HG12 ILE A 2 6.338 5.862 3.415 1.00 0.39 H new ATOM 0 HG13 ILE A 2 5.281 4.564 3.933 1.00 0.39 H new ATOM 0 HG21 ILE A 2 5.779 8.243 4.597 1.00 0.47 H new ATOM 0 HG22 ILE A 2 6.122 7.968 6.321 1.00 0.47 H new ATOM 0 HG23 ILE A 2 7.202 7.290 5.080 1.00 0.47 H new ATOM 0 HD11 ILE A 2 4.284 5.800 2.027 1.00 0.58 H new ATOM 0 HD12 ILE A 2 3.285 5.995 3.488 1.00 0.58 H new ATOM 0 HD13 ILE A 2 4.360 7.313 2.962 1.00 0.58 H new ATOM 37 N GLU A 3 3.837 4.153 7.059 1.00 0.35 N ATOM 38 CA GLU A 3 2.863 3.024 7.156 1.00 0.34 C ATOM 39 C GLU A 3 1.684 3.298 6.216 1.00 0.32 C ATOM 40 O GLU A 3 1.012 4.307 6.328 1.00 0.47 O ATOM 41 CB GLU A 3 2.370 2.904 8.603 1.00 0.40 C ATOM 42 CG GLU A 3 1.416 1.709 8.739 1.00 0.44 C ATOM 43 CD GLU A 3 2.164 0.403 8.439 1.00 0.51 C ATOM 44 OE1 GLU A 3 2.929 -0.029 9.286 1.00 0.73 O ATOM 45 OE2 GLU A 3 1.952 -0.144 7.369 1.00 0.68 O ATOM 0 H GLU A 3 3.570 4.994 7.571 1.00 0.35 H new ATOM 0 HA GLU A 3 3.342 2.089 6.866 1.00 0.34 H new ATOM 0 HB2 GLU A 3 3.219 2.780 9.275 1.00 0.40 H new ATOM 0 HB3 GLU A 3 1.861 3.821 8.899 1.00 0.40 H new ATOM 0 HG2 GLU A 3 1.001 1.677 9.747 1.00 0.44 H new ATOM 0 HG3 GLU A 3 0.577 1.823 8.053 1.00 0.44 H new ATOM 52 N VAL A 4 1.439 2.409 5.282 1.00 0.29 N ATOM 53 CA VAL A 4 0.312 2.612 4.317 1.00 0.30 C ATOM 54 C VAL A 4 -0.768 1.548 4.544 1.00 0.27 C ATOM 55 O VAL A 4 -0.497 0.464 5.031 1.00 0.32 O ATOM 56 CB VAL A 4 0.837 2.500 2.877 1.00 0.36 C ATOM 57 CG1 VAL A 4 -0.168 3.128 1.909 1.00 0.43 C ATOM 58 CG2 VAL A 4 2.178 3.233 2.753 1.00 0.44 C ATOM 0 H VAL A 4 1.972 1.550 5.147 1.00 0.29 H new ATOM 0 HA VAL A 4 -0.115 3.602 4.476 1.00 0.30 H new ATOM 0 HB VAL A 4 0.973 1.447 2.632 1.00 0.36 H new ATOM 0 HG11 VAL A 4 0.209 3.046 0.889 1.00 0.43 H new ATOM 0 HG12 VAL A 4 -1.122 2.607 1.986 1.00 0.43 H new ATOM 0 HG13 VAL A 4 -0.308 4.179 2.161 1.00 0.43 H new ATOM 0 HG21 VAL A 4 2.545 3.150 1.730 1.00 0.44 H new ATOM 0 HG22 VAL A 4 2.043 4.285 3.006 1.00 0.44 H new ATOM 0 HG23 VAL A 4 2.901 2.786 3.435 1.00 0.44 H new ATOM 68 N VAL A 5 -1.988 1.855 4.176 1.00 0.26 N ATOM 69 CA VAL A 5 -3.111 0.879 4.341 1.00 0.27 C ATOM 70 C VAL A 5 -3.935 0.847 3.049 1.00 0.26 C ATOM 71 O VAL A 5 -4.362 1.873 2.550 1.00 0.39 O ATOM 72 CB VAL A 5 -4.008 1.286 5.522 1.00 0.33 C ATOM 73 CG1 VAL A 5 -3.266 1.036 6.837 1.00 0.47 C ATOM 74 CG2 VAL A 5 -4.380 2.772 5.419 1.00 0.41 C ATOM 0 H VAL A 5 -2.256 2.749 3.764 1.00 0.26 H new ATOM 0 HA VAL A 5 -2.702 -0.110 4.546 1.00 0.27 H new ATOM 0 HB VAL A 5 -4.920 0.690 5.495 1.00 0.33 H new ATOM 0 HG11 VAL A 5 -3.902 1.325 7.674 1.00 0.47 H new ATOM 0 HG12 VAL A 5 -3.017 -0.022 6.919 1.00 0.47 H new ATOM 0 HG13 VAL A 5 -2.350 1.627 6.856 1.00 0.47 H new ATOM 0 HG21 VAL A 5 -5.015 3.047 6.261 1.00 0.41 H new ATOM 0 HG22 VAL A 5 -3.473 3.376 5.436 1.00 0.41 H new ATOM 0 HG23 VAL A 5 -4.916 2.949 4.487 1.00 0.41 H new ATOM 84 N VAL A 6 -4.155 -0.326 2.504 1.00 0.23 N ATOM 85 CA VAL A 6 -4.943 -0.436 1.237 1.00 0.28 C ATOM 86 C VAL A 6 -6.233 -1.217 1.497 1.00 0.27 C ATOM 87 O VAL A 6 -6.227 -2.239 2.158 1.00 0.34 O ATOM 88 CB VAL A 6 -4.116 -1.152 0.158 1.00 0.35 C ATOM 89 CG1 VAL A 6 -2.879 -0.315 -0.180 1.00 0.45 C ATOM 90 CG2 VAL A 6 -3.675 -2.533 0.658 1.00 0.41 C ATOM 0 H VAL A 6 -3.822 -1.212 2.883 1.00 0.23 H new ATOM 0 HA VAL A 6 -5.189 0.567 0.888 1.00 0.28 H new ATOM 0 HB VAL A 6 -4.731 -1.276 -0.733 1.00 0.35 H new ATOM 0 HG11 VAL A 6 -2.293 -0.824 -0.945 1.00 0.45 H new ATOM 0 HG12 VAL A 6 -3.191 0.661 -0.551 1.00 0.45 H new ATOM 0 HG13 VAL A 6 -2.271 -0.186 0.716 1.00 0.45 H new ATOM 0 HG21 VAL A 6 -3.090 -3.030 -0.116 1.00 0.41 H new ATOM 0 HG22 VAL A 6 -3.067 -2.418 1.555 1.00 0.41 H new ATOM 0 HG23 VAL A 6 -4.554 -3.134 0.890 1.00 0.41 H new ATOM 100 N ASN A 7 -7.339 -0.742 0.976 1.00 0.31 N ATOM 101 CA ASN A 7 -8.637 -1.451 1.185 1.00 0.33 C ATOM 102 C ASN A 7 -8.990 -2.255 -0.069 1.00 0.33 C ATOM 103 O ASN A 7 -9.028 -1.728 -1.169 1.00 0.39 O ATOM 104 CB ASN A 7 -9.740 -0.427 1.471 1.00 0.43 C ATOM 105 CG ASN A 7 -9.738 -0.082 2.962 1.00 0.53 C ATOM 106 OD1 ASN A 7 -10.526 -0.612 3.721 1.00 0.80 O ATOM 107 ND2 ASN A 7 -8.877 0.789 3.420 1.00 0.72 N ATOM 0 H ASN A 7 -7.397 0.108 0.414 1.00 0.31 H new ATOM 0 HA ASN A 7 -8.547 -2.130 2.033 1.00 0.33 H new ATOM 0 HB2 ASN A 7 -9.579 0.473 0.878 1.00 0.43 H new ATOM 0 HB3 ASN A 7 -10.710 -0.830 1.181 1.00 0.43 H new ATOM 0 HD21 ASN A 7 -8.867 1.023 4.413 1.00 0.72 H new ATOM 0 HD22 ASN A 7 -8.215 1.235 2.784 1.00 0.72 H new ATOM 114 N ASP A 8 -9.248 -3.532 0.093 1.00 0.33 N ATOM 115 CA ASP A 8 -9.602 -4.395 -1.077 1.00 0.38 C ATOM 116 C ASP A 8 -11.095 -4.250 -1.407 1.00 0.41 C ATOM 117 O ASP A 8 -11.842 -3.610 -0.687 1.00 0.45 O ATOM 118 CB ASP A 8 -9.291 -5.860 -0.742 1.00 0.44 C ATOM 119 CG ASP A 8 -7.780 -6.106 -0.845 1.00 0.54 C ATOM 120 OD1 ASP A 8 -7.093 -5.879 0.139 1.00 0.66 O ATOM 121 OD2 ASP A 8 -7.337 -6.520 -1.906 1.00 0.67 O ATOM 0 H ASP A 8 -9.228 -4.015 0.991 1.00 0.33 H new ATOM 0 HA ASP A 8 -9.016 -4.083 -1.941 1.00 0.38 H new ATOM 0 HB2 ASP A 8 -9.639 -6.095 0.264 1.00 0.44 H new ATOM 0 HB3 ASP A 8 -9.824 -6.520 -1.426 1.00 0.44 H new ATOM 198 N LYS A 13 -8.605 -5.009 4.625 1.00 0.50 N ATOM 199 CA LYS A 13 -7.541 -4.039 4.215 1.00 0.40 C ATOM 200 C LYS A 13 -6.156 -4.594 4.584 1.00 0.41 C ATOM 201 O LYS A 13 -6.016 -5.386 5.500 1.00 0.59 O ATOM 202 CB LYS A 13 -7.770 -2.690 4.910 1.00 0.44 C ATOM 203 CG LYS A 13 -7.618 -2.835 6.428 1.00 0.58 C ATOM 204 CD LYS A 13 -6.502 -1.908 6.917 1.00 0.69 C ATOM 205 CE LYS A 13 -5.976 -2.398 8.269 1.00 0.64 C ATOM 206 NZ LYS A 13 -4.500 -2.600 8.186 1.00 1.19 N ATOM 0 HA LYS A 13 -7.587 -3.894 3.136 1.00 0.40 H new ATOM 0 HB2 LYS A 13 -7.057 -1.956 4.536 1.00 0.44 H new ATOM 0 HB3 LYS A 13 -8.766 -2.316 4.672 1.00 0.44 H new ATOM 0 HG2 LYS A 13 -8.556 -2.586 6.924 1.00 0.58 H new ATOM 0 HG3 LYS A 13 -7.386 -3.869 6.684 1.00 0.58 H new ATOM 0 HD2 LYS A 13 -5.692 -1.884 6.188 1.00 0.69 H new ATOM 0 HD3 LYS A 13 -6.878 -0.889 7.010 1.00 0.69 H new ATOM 0 HE2 LYS A 13 -6.211 -1.672 9.047 1.00 0.64 H new ATOM 0 HE3 LYS A 13 -6.466 -3.331 8.545 1.00 0.64 H new ATOM 0 HZ1 LYS A 13 -4.195 -3.247 8.941 1.00 1.19 H new ATOM 0 HZ2 LYS A 13 -4.257 -3.009 7.261 1.00 1.19 H new ATOM 0 HZ3 LYS A 13 -4.018 -1.685 8.298 1.00 1.19 H new ATOM 220 N VAL A 14 -5.134 -4.186 3.865 1.00 0.34 N ATOM 221 CA VAL A 14 -3.753 -4.686 4.152 1.00 0.38 C ATOM 222 C VAL A 14 -2.829 -3.502 4.477 1.00 0.34 C ATOM 223 O VAL A 14 -2.896 -2.460 3.853 1.00 0.34 O ATOM 224 CB VAL A 14 -3.224 -5.449 2.928 1.00 0.45 C ATOM 225 CG1 VAL A 14 -1.871 -6.090 3.255 1.00 0.56 C ATOM 226 CG2 VAL A 14 -4.220 -6.550 2.546 1.00 0.51 C ATOM 0 H VAL A 14 -5.200 -3.526 3.090 1.00 0.34 H new ATOM 0 HA VAL A 14 -3.778 -5.358 5.010 1.00 0.38 H new ATOM 0 HB VAL A 14 -3.103 -4.752 2.099 1.00 0.45 H new ATOM 0 HG11 VAL A 14 -1.503 -6.629 2.382 1.00 0.56 H new ATOM 0 HG12 VAL A 14 -1.157 -5.313 3.529 1.00 0.56 H new ATOM 0 HG13 VAL A 14 -1.989 -6.784 4.087 1.00 0.56 H new ATOM 0 HG21 VAL A 14 -3.847 -7.093 1.678 1.00 0.51 H new ATOM 0 HG22 VAL A 14 -4.338 -7.240 3.382 1.00 0.51 H new ATOM 0 HG23 VAL A 14 -5.184 -6.101 2.307 1.00 0.51 H new ATOM 236 N ARG A 15 -1.963 -3.669 5.451 1.00 0.35 N ATOM 237 CA ARG A 15 -1.018 -2.573 5.837 1.00 0.33 C ATOM 238 C ARG A 15 0.401 -2.947 5.389 1.00 0.32 C ATOM 239 O ARG A 15 0.778 -4.104 5.406 1.00 0.44 O ATOM 240 CB ARG A 15 -1.044 -2.375 7.359 1.00 0.38 C ATOM 241 CG ARG A 15 -0.709 -3.699 8.059 1.00 0.48 C ATOM 242 CD ARG A 15 -0.133 -3.424 9.451 1.00 1.02 C ATOM 243 NE ARG A 15 0.182 -4.720 10.121 1.00 1.68 N ATOM 244 CZ ARG A 15 -0.746 -5.359 10.787 1.00 2.43 C ATOM 245 NH1 ARG A 15 -1.556 -6.173 10.162 1.00 2.87 N ATOM 246 NH2 ARG A 15 -0.860 -5.182 12.079 1.00 3.17 N ATOM 0 H ARG A 15 -1.871 -4.525 5.998 1.00 0.35 H new ATOM 0 HA ARG A 15 -1.322 -1.645 5.353 1.00 0.33 H new ATOM 0 HB2 ARG A 15 -0.326 -1.608 7.648 1.00 0.38 H new ATOM 0 HB3 ARG A 15 -2.027 -2.025 7.673 1.00 0.38 H new ATOM 0 HG2 ARG A 15 -1.606 -4.313 8.142 1.00 0.48 H new ATOM 0 HG3 ARG A 15 0.009 -4.263 7.464 1.00 0.48 H new ATOM 0 HD2 ARG A 15 0.767 -2.815 9.370 1.00 1.02 H new ATOM 0 HD3 ARG A 15 -0.848 -2.858 10.048 1.00 1.02 H new ATOM 0 HE ARG A 15 1.123 -5.109 10.060 1.00 1.68 H new ATOM 0 HH11 ARG A 15 -1.465 -6.310 9.155 1.00 2.87 H new ATOM 0 HH12 ARG A 15 -2.279 -6.671 10.681 1.00 2.87 H new ATOM 0 HH21 ARG A 15 -0.226 -4.547 12.565 1.00 3.17 H new ATOM 0 HH22 ARG A 15 -1.582 -5.679 12.600 1.00 3.17 H new ATOM 260 N VAL A 16 1.186 -1.980 4.983 1.00 0.32 N ATOM 261 CA VAL A 16 2.578 -2.274 4.525 1.00 0.32 C ATOM 262 C VAL A 16 3.481 -1.065 4.805 1.00 0.31 C ATOM 263 O VAL A 16 3.095 0.073 4.598 1.00 0.32 O ATOM 264 CB VAL A 16 2.555 -2.585 3.022 1.00 0.36 C ATOM 265 CG1 VAL A 16 2.049 -1.366 2.242 1.00 0.41 C ATOM 266 CG2 VAL A 16 3.965 -2.949 2.546 1.00 0.44 C ATOM 0 H VAL A 16 0.921 -0.996 4.949 1.00 0.32 H new ATOM 0 HA VAL A 16 2.972 -3.135 5.065 1.00 0.32 H new ATOM 0 HB VAL A 16 1.885 -3.426 2.845 1.00 0.36 H new ATOM 0 HG11 VAL A 16 2.036 -1.596 1.177 1.00 0.41 H new ATOM 0 HG12 VAL A 16 1.041 -1.116 2.572 1.00 0.41 H new ATOM 0 HG13 VAL A 16 2.710 -0.518 2.422 1.00 0.41 H new ATOM 0 HG21 VAL A 16 3.943 -3.169 1.479 1.00 0.44 H new ATOM 0 HG22 VAL A 16 4.639 -2.112 2.730 1.00 0.44 H new ATOM 0 HG23 VAL A 16 4.318 -3.825 3.090 1.00 0.44 H new ATOM 276 N LYS A 17 4.680 -1.307 5.276 1.00 0.32 N ATOM 277 CA LYS A 17 5.616 -0.182 5.576 1.00 0.33 C ATOM 278 C LYS A 17 6.596 -0.011 4.409 1.00 0.31 C ATOM 279 O LYS A 17 7.282 -0.940 4.022 1.00 0.40 O ATOM 280 CB LYS A 17 6.387 -0.495 6.865 1.00 0.42 C ATOM 281 CG LYS A 17 6.810 0.808 7.553 1.00 0.57 C ATOM 282 CD LYS A 17 6.541 0.706 9.058 1.00 0.72 C ATOM 283 CE LYS A 17 7.228 1.865 9.786 1.00 0.83 C ATOM 284 NZ LYS A 17 6.336 3.064 9.790 1.00 1.09 N ATOM 0 H LYS A 17 5.050 -2.238 5.466 1.00 0.32 H new ATOM 0 HA LYS A 17 5.053 0.742 5.709 1.00 0.33 H new ATOM 0 HB2 LYS A 17 5.764 -1.085 7.537 1.00 0.42 H new ATOM 0 HB3 LYS A 17 7.266 -1.097 6.635 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.868 0.998 7.375 1.00 0.57 H new ATOM 0 HG3 LYS A 17 6.260 1.649 7.131 1.00 0.57 H new ATOM 0 HD2 LYS A 17 5.468 0.730 9.248 1.00 0.72 H new ATOM 0 HD3 LYS A 17 6.911 -0.246 9.439 1.00 0.72 H new ATOM 0 HE2 LYS A 17 7.465 1.574 10.809 1.00 0.83 H new ATOM 0 HE3 LYS A 17 8.172 2.105 9.296 1.00 0.83 H new ATOM 0 HZ1 LYS A 17 6.809 3.847 10.286 1.00 1.09 H new ATOM 0 HZ2 LYS A 17 6.131 3.348 8.811 1.00 1.09 H new ATOM 0 HZ3 LYS A 17 5.446 2.833 10.277 1.00 1.09 H new ATOM 298 N CYS A 18 6.662 1.174 3.844 1.00 0.30 N ATOM 299 CA CYS A 18 7.592 1.422 2.697 1.00 0.33 C ATOM 300 C CYS A 18 8.020 2.893 2.691 1.00 0.32 C ATOM 301 O CYS A 18 7.445 3.718 3.376 1.00 0.44 O ATOM 302 CB CYS A 18 6.882 1.092 1.380 1.00 0.39 C ATOM 303 SG CYS A 18 7.465 -0.505 0.759 1.00 0.76 S ATOM 0 H CYS A 18 6.109 1.982 4.131 1.00 0.30 H new ATOM 0 HA CYS A 18 8.473 0.789 2.804 1.00 0.33 H new ATOM 0 HB2 CYS A 18 5.803 1.062 1.534 1.00 0.39 H new ATOM 0 HB3 CYS A 18 7.077 1.873 0.645 1.00 0.39 H new ATOM 0 HG CYS A 18 8.493 -0.892 1.454 1.00 0.76 H new ATOM 309 N LEU A 19 9.024 3.227 1.917 1.00 0.36 N ATOM 310 CA LEU A 19 9.491 4.643 1.858 1.00 0.36 C ATOM 311 C LEU A 19 8.703 5.394 0.782 1.00 0.34 C ATOM 312 O LEU A 19 8.424 4.863 -0.281 1.00 0.37 O ATOM 313 CB LEU A 19 10.987 4.677 1.524 1.00 0.42 C ATOM 314 CG LEU A 19 11.771 5.205 2.730 1.00 0.58 C ATOM 315 CD1 LEU A 19 13.207 4.676 2.685 1.00 0.92 C ATOM 316 CD2 LEU A 19 11.786 6.736 2.695 1.00 0.82 C ATOM 0 H LEU A 19 9.540 2.577 1.323 1.00 0.36 H new ATOM 0 HA LEU A 19 9.329 5.121 2.824 1.00 0.36 H new ATOM 0 HB2 LEU A 19 11.334 3.678 1.261 1.00 0.42 H new ATOM 0 HB3 LEU A 19 11.162 5.314 0.657 1.00 0.42 H new ATOM 0 HG LEU A 19 11.293 4.866 3.649 1.00 0.58 H new ATOM 0 HD11 LEU A 19 13.761 5.054 3.544 1.00 0.92 H new ATOM 0 HD12 LEU A 19 13.194 3.586 2.712 1.00 0.92 H new ATOM 0 HD13 LEU A 19 13.689 5.011 1.767 1.00 0.92 H new ATOM 0 HD21 LEU A 19 12.343 7.114 3.552 1.00 0.82 H new ATOM 0 HD22 LEU A 19 12.262 7.074 1.775 1.00 0.82 H new ATOM 0 HD23 LEU A 19 10.763 7.111 2.733 1.00 0.82 H new ATOM 328 N ALA A 20 8.347 6.628 1.051 1.00 0.37 N ATOM 329 CA ALA A 20 7.579 7.435 0.053 1.00 0.42 C ATOM 330 C ALA A 20 8.445 7.707 -1.188 1.00 0.39 C ATOM 331 O ALA A 20 7.934 8.040 -2.243 1.00 0.42 O ATOM 332 CB ALA A 20 7.158 8.764 0.687 1.00 0.51 C ATOM 0 H ALA A 20 8.557 7.112 1.924 1.00 0.37 H new ATOM 0 HA ALA A 20 6.693 6.877 -0.250 1.00 0.42 H new ATOM 0 HB1 ALA A 20 6.598 9.353 -0.040 1.00 0.51 H new ATOM 0 HB2 ALA A 20 6.531 8.570 1.557 1.00 0.51 H new ATOM 0 HB3 ALA A 20 8.045 9.317 0.996 1.00 0.51 H new ATOM 338 N GLU A 21 9.749 7.557 -1.075 1.00 0.37 N ATOM 339 CA GLU A 21 10.647 7.794 -2.247 1.00 0.38 C ATOM 340 C GLU A 21 10.643 6.561 -3.162 1.00 0.33 C ATOM 341 O GLU A 21 10.950 6.657 -4.337 1.00 0.37 O ATOM 342 CB GLU A 21 12.078 8.069 -1.758 1.00 0.43 C ATOM 343 CG GLU A 21 12.602 6.872 -0.951 1.00 0.42 C ATOM 344 CD GLU A 21 13.656 6.114 -1.768 1.00 0.50 C ATOM 345 OE1 GLU A 21 14.782 6.582 -1.828 1.00 0.68 O ATOM 346 OE2 GLU A 21 13.320 5.075 -2.314 1.00 0.57 O ATOM 0 H GLU A 21 10.226 7.280 -0.217 1.00 0.37 H new ATOM 0 HA GLU A 21 10.285 8.657 -2.805 1.00 0.38 H new ATOM 0 HB2 GLU A 21 12.731 8.257 -2.610 1.00 0.43 H new ATOM 0 HB3 GLU A 21 12.093 8.967 -1.141 1.00 0.43 H new ATOM 0 HG2 GLU A 21 13.036 7.217 -0.012 1.00 0.42 H new ATOM 0 HG3 GLU A 21 11.778 6.205 -0.696 1.00 0.42 H new ATOM 353 N ASP A 22 10.297 5.406 -2.632 1.00 0.29 N ATOM 354 CA ASP A 22 10.272 4.165 -3.466 1.00 0.29 C ATOM 355 C ASP A 22 9.163 4.269 -4.521 1.00 0.27 C ATOM 356 O ASP A 22 8.218 5.024 -4.370 1.00 0.35 O ATOM 357 CB ASP A 22 10.019 2.944 -2.572 1.00 0.34 C ATOM 358 CG ASP A 22 11.352 2.423 -2.024 1.00 0.45 C ATOM 359 OD1 ASP A 22 12.010 1.676 -2.729 1.00 0.56 O ATOM 360 OD2 ASP A 22 11.691 2.780 -0.908 1.00 0.64 O ATOM 0 H ASP A 22 10.031 5.274 -1.656 1.00 0.29 H new ATOM 0 HA ASP A 22 11.234 4.053 -3.966 1.00 0.29 H new ATOM 0 HB2 ASP A 22 9.357 3.214 -1.749 1.00 0.34 H new ATOM 0 HB3 ASP A 22 9.518 2.161 -3.141 1.00 0.34 H new ATOM 365 N SER A 23 9.278 3.518 -5.589 1.00 0.29 N ATOM 366 CA SER A 23 8.241 3.569 -6.666 1.00 0.30 C ATOM 367 C SER A 23 7.127 2.551 -6.382 1.00 0.28 C ATOM 368 O SER A 23 7.225 1.741 -5.475 1.00 0.31 O ATOM 369 CB SER A 23 8.892 3.250 -8.016 1.00 0.36 C ATOM 370 OG SER A 23 9.084 4.459 -8.741 1.00 0.60 O ATOM 0 H SER A 23 10.047 2.871 -5.761 1.00 0.29 H new ATOM 0 HA SER A 23 7.807 4.569 -6.692 1.00 0.30 H new ATOM 0 HB2 SER A 23 9.847 2.748 -7.863 1.00 0.36 H new ATOM 0 HB3 SER A 23 8.261 2.567 -8.585 1.00 0.36 H new ATOM 0 HG SER A 23 8.758 4.346 -9.658 1.00 0.60 H new ATOM 376 N VAL A 24 6.069 2.593 -7.162 1.00 0.29 N ATOM 377 CA VAL A 24 4.932 1.636 -6.969 1.00 0.31 C ATOM 378 C VAL A 24 5.439 0.197 -7.155 1.00 0.31 C ATOM 379 O VAL A 24 4.938 -0.724 -6.539 1.00 0.34 O ATOM 380 CB VAL A 24 3.827 1.936 -7.992 1.00 0.35 C ATOM 381 CG1 VAL A 24 2.686 0.925 -7.846 1.00 0.41 C ATOM 382 CG2 VAL A 24 3.282 3.348 -7.754 1.00 0.42 C ATOM 0 H VAL A 24 5.945 3.254 -7.929 1.00 0.29 H new ATOM 0 HA VAL A 24 4.527 1.748 -5.963 1.00 0.31 H new ATOM 0 HB VAL A 24 4.244 1.864 -8.996 1.00 0.35 H new ATOM 0 HG11 VAL A 24 1.908 1.147 -8.576 1.00 0.41 H new ATOM 0 HG12 VAL A 24 3.068 -0.082 -8.017 1.00 0.41 H new ATOM 0 HG13 VAL A 24 2.269 0.989 -6.841 1.00 0.41 H new ATOM 0 HG21 VAL A 24 2.497 3.562 -8.480 1.00 0.42 H new ATOM 0 HG22 VAL A 24 2.872 3.415 -6.746 1.00 0.42 H new ATOM 0 HG23 VAL A 24 4.088 4.073 -7.867 1.00 0.42 H new ATOM 392 N GLY A 25 6.440 0.005 -7.991 1.00 0.34 N ATOM 393 CA GLY A 25 6.994 -1.366 -8.208 1.00 0.39 C ATOM 394 C GLY A 25 7.516 -1.905 -6.875 1.00 0.35 C ATOM 395 O GLY A 25 7.132 -2.975 -6.441 1.00 0.36 O ATOM 0 H GLY A 25 6.893 0.743 -8.530 1.00 0.34 H new ATOM 0 HA2 GLY A 25 6.223 -2.026 -8.606 1.00 0.39 H new ATOM 0 HA3 GLY A 25 7.798 -1.336 -8.943 1.00 0.39 H new ATOM 399 N ASP A 26 8.373 -1.156 -6.214 1.00 0.34 N ATOM 400 CA ASP A 26 8.917 -1.599 -4.892 1.00 0.34 C ATOM 401 C ASP A 26 7.762 -1.745 -3.891 1.00 0.31 C ATOM 402 O ASP A 26 7.754 -2.645 -3.071 1.00 0.34 O ATOM 403 CB ASP A 26 9.915 -0.555 -4.374 1.00 0.40 C ATOM 404 CG ASP A 26 10.610 -1.081 -3.113 1.00 0.57 C ATOM 405 OD1 ASP A 26 11.603 -1.776 -3.252 1.00 0.80 O ATOM 406 OD2 ASP A 26 10.137 -0.777 -2.028 1.00 0.77 O ATOM 0 H ASP A 26 8.719 -0.253 -6.538 1.00 0.34 H new ATOM 0 HA ASP A 26 9.423 -2.557 -5.008 1.00 0.34 H new ATOM 0 HB2 ASP A 26 10.655 -0.334 -5.143 1.00 0.40 H new ATOM 0 HB3 ASP A 26 9.397 0.378 -4.152 1.00 0.40 H new ATOM 411 N PHE A 27 6.785 -0.867 -3.966 1.00 0.31 N ATOM 412 CA PHE A 27 5.613 -0.938 -3.039 1.00 0.32 C ATOM 413 C PHE A 27 4.891 -2.276 -3.232 1.00 0.30 C ATOM 414 O PHE A 27 4.552 -2.950 -2.275 1.00 0.35 O ATOM 415 CB PHE A 27 4.649 0.210 -3.357 1.00 0.38 C ATOM 416 CG PHE A 27 3.672 0.390 -2.220 1.00 0.36 C ATOM 417 CD1 PHE A 27 4.106 0.930 -1.004 1.00 0.41 C ATOM 418 CD2 PHE A 27 2.331 0.019 -2.384 1.00 0.51 C ATOM 419 CE1 PHE A 27 3.199 1.100 0.048 1.00 0.46 C ATOM 420 CE2 PHE A 27 1.425 0.190 -1.331 1.00 0.58 C ATOM 421 CZ PHE A 27 1.859 0.731 -0.116 1.00 0.50 C ATOM 0 H PHE A 27 6.753 -0.099 -4.637 1.00 0.31 H new ATOM 0 HA PHE A 27 5.956 -0.855 -2.008 1.00 0.32 H new ATOM 0 HB2 PHE A 27 5.208 1.132 -3.517 1.00 0.38 H new ATOM 0 HB3 PHE A 27 4.110 -0.001 -4.281 1.00 0.38 H new ATOM 0 HD1 PHE A 27 5.140 1.215 -0.878 1.00 0.41 H new ATOM 0 HD2 PHE A 27 1.997 -0.399 -3.322 1.00 0.51 H new ATOM 0 HE1 PHE A 27 3.533 1.516 0.987 1.00 0.46 H new ATOM 0 HE2 PHE A 27 0.391 -0.096 -1.456 1.00 0.58 H new ATOM 0 HZ PHE A 27 1.159 0.864 0.696 1.00 0.50 H new ATOM 431 N LYS A 28 4.662 -2.662 -4.466 1.00 0.32 N ATOM 432 CA LYS A 28 3.973 -3.958 -4.742 1.00 0.34 C ATOM 433 C LYS A 28 4.898 -5.125 -4.374 1.00 0.32 C ATOM 434 O LYS A 28 4.443 -6.176 -3.964 1.00 0.38 O ATOM 435 CB LYS A 28 3.615 -4.041 -6.228 1.00 0.40 C ATOM 436 CG LYS A 28 2.386 -3.173 -6.508 1.00 0.50 C ATOM 437 CD LYS A 28 1.635 -3.723 -7.725 1.00 0.62 C ATOM 438 CE LYS A 28 1.949 -2.870 -8.958 1.00 0.56 C ATOM 439 NZ LYS A 28 0.767 -2.028 -9.306 1.00 1.05 N ATOM 0 H LYS A 28 4.925 -2.130 -5.296 1.00 0.32 H new ATOM 0 HA LYS A 28 3.064 -4.016 -4.144 1.00 0.34 H new ATOM 0 HB2 LYS A 28 4.456 -3.705 -6.835 1.00 0.40 H new ATOM 0 HB3 LYS A 28 3.414 -5.075 -6.507 1.00 0.40 H new ATOM 0 HG2 LYS A 28 1.730 -3.162 -5.638 1.00 0.50 H new ATOM 0 HG3 LYS A 28 2.690 -2.142 -6.691 1.00 0.50 H new ATOM 0 HD2 LYS A 28 1.924 -4.758 -7.905 1.00 0.62 H new ATOM 0 HD3 LYS A 28 0.562 -3.720 -7.533 1.00 0.62 H new ATOM 0 HE2 LYS A 28 2.813 -2.236 -8.762 1.00 0.56 H new ATOM 0 HE3 LYS A 28 2.209 -3.513 -9.799 1.00 0.56 H new ATOM 0 HZ1 LYS A 28 0.986 -1.451 -10.143 1.00 1.05 H new ATOM 0 HZ2 LYS A 28 -0.048 -2.641 -9.511 1.00 1.05 H new ATOM 0 HZ3 LYS A 28 0.538 -1.404 -8.506 1.00 1.05 H new ATOM 453 N LYS A 29 6.194 -4.942 -4.517 1.00 0.30 N ATOM 454 CA LYS A 29 7.163 -6.031 -4.176 1.00 0.31 C ATOM 455 C LYS A 29 7.097 -6.328 -2.672 1.00 0.29 C ATOM 456 O LYS A 29 7.074 -7.475 -2.264 1.00 0.35 O ATOM 457 CB LYS A 29 8.583 -5.590 -4.546 1.00 0.36 C ATOM 458 CG LYS A 29 8.739 -5.583 -6.069 1.00 0.47 C ATOM 459 CD LYS A 29 10.161 -6.015 -6.440 1.00 1.15 C ATOM 460 CE LYS A 29 10.109 -7.009 -7.605 1.00 1.86 C ATOM 461 NZ LYS A 29 10.662 -8.323 -7.168 1.00 3.00 N ATOM 0 H LYS A 29 6.620 -4.080 -4.857 1.00 0.30 H new ATOM 0 HA LYS A 29 6.904 -6.930 -4.735 1.00 0.31 H new ATOM 0 HB2 LYS A 29 8.782 -4.596 -4.146 1.00 0.36 H new ATOM 0 HB3 LYS A 29 9.312 -6.265 -4.099 1.00 0.36 H new ATOM 0 HG2 LYS A 29 8.013 -6.258 -6.522 1.00 0.47 H new ATOM 0 HG3 LYS A 29 8.537 -4.586 -6.461 1.00 0.47 H new ATOM 0 HD2 LYS A 29 10.755 -5.145 -6.718 1.00 1.15 H new ATOM 0 HD3 LYS A 29 10.649 -6.473 -5.580 1.00 1.15 H new ATOM 0 HE2 LYS A 29 9.081 -7.131 -7.946 1.00 1.86 H new ATOM 0 HE3 LYS A 29 10.681 -6.625 -8.449 1.00 1.86 H new ATOM 0 HZ1 LYS A 29 10.626 -8.996 -7.960 1.00 3.00 H new ATOM 0 HZ2 LYS A 29 11.649 -8.200 -6.863 1.00 3.00 H new ATOM 0 HZ3 LYS A 29 10.098 -8.691 -6.375 1.00 3.00 H new ATOM 475 N VAL A 30 7.060 -5.303 -1.850 1.00 0.28 N ATOM 476 CA VAL A 30 6.985 -5.516 -0.369 1.00 0.29 C ATOM 477 C VAL A 30 5.610 -6.104 -0.008 1.00 0.27 C ATOM 478 O VAL A 30 5.492 -6.902 0.904 1.00 0.34 O ATOM 479 CB VAL A 30 7.182 -4.178 0.359 1.00 0.34 C ATOM 480 CG1 VAL A 30 7.132 -4.397 1.875 1.00 0.40 C ATOM 481 CG2 VAL A 30 8.543 -3.582 -0.017 1.00 0.40 C ATOM 0 H VAL A 30 7.079 -4.326 -2.143 1.00 0.28 H new ATOM 0 HA VAL A 30 7.769 -6.208 -0.062 1.00 0.29 H new ATOM 0 HB VAL A 30 6.386 -3.494 0.064 1.00 0.34 H new ATOM 0 HG11 VAL A 30 7.272 -3.444 2.385 1.00 0.40 H new ATOM 0 HG12 VAL A 30 6.164 -4.817 2.150 1.00 0.40 H new ATOM 0 HG13 VAL A 30 7.924 -5.086 2.169 1.00 0.40 H new ATOM 0 HG21 VAL A 30 8.680 -2.633 0.501 1.00 0.40 H new ATOM 0 HG22 VAL A 30 9.335 -4.272 0.274 1.00 0.40 H new ATOM 0 HG23 VAL A 30 8.583 -3.417 -1.094 1.00 0.40 H new ATOM 491 N LEU A 31 4.576 -5.716 -0.723 1.00 0.26 N ATOM 492 CA LEU A 31 3.208 -6.248 -0.435 1.00 0.28 C ATOM 493 C LEU A 31 3.128 -7.721 -0.857 1.00 0.27 C ATOM 494 O LEU A 31 2.706 -8.564 -0.095 1.00 0.30 O ATOM 495 CB LEU A 31 2.166 -5.437 -1.215 1.00 0.31 C ATOM 496 CG LEU A 31 1.658 -4.278 -0.352 1.00 0.40 C ATOM 497 CD1 LEU A 31 1.191 -3.136 -1.257 1.00 0.63 C ATOM 498 CD2 LEU A 31 0.485 -4.755 0.511 1.00 0.69 C ATOM 0 H LEU A 31 4.625 -5.052 -1.495 1.00 0.26 H new ATOM 0 HA LEU A 31 3.008 -6.165 0.633 1.00 0.28 H new ATOM 0 HB2 LEU A 31 2.606 -5.052 -2.135 1.00 0.31 H new ATOM 0 HB3 LEU A 31 1.334 -6.079 -1.504 1.00 0.31 H new ATOM 0 HG LEU A 31 2.464 -3.927 0.293 1.00 0.40 H new ATOM 0 HD11 LEU A 31 0.829 -2.311 -0.644 1.00 0.63 H new ATOM 0 HD12 LEU A 31 2.024 -2.794 -1.871 1.00 0.63 H new ATOM 0 HD13 LEU A 31 0.386 -3.489 -1.902 1.00 0.63 H new ATOM 0 HD21 LEU A 31 0.125 -3.929 1.124 1.00 0.69 H new ATOM 0 HD22 LEU A 31 -0.321 -5.107 -0.133 1.00 0.69 H new ATOM 0 HD23 LEU A 31 0.815 -5.569 1.156 1.00 0.69 H new ATOM 510 N SER A 32 3.532 -8.029 -2.070 1.00 0.26 N ATOM 511 CA SER A 32 3.481 -9.446 -2.565 1.00 0.28 C ATOM 512 C SER A 32 4.193 -10.405 -1.592 1.00 0.30 C ATOM 513 O SER A 32 3.924 -11.592 -1.589 1.00 0.35 O ATOM 514 CB SER A 32 4.152 -9.531 -3.941 1.00 0.30 C ATOM 515 OG SER A 32 5.479 -9.027 -3.859 1.00 0.40 O ATOM 0 H SER A 32 3.897 -7.355 -2.743 1.00 0.26 H new ATOM 0 HA SER A 32 2.435 -9.744 -2.636 1.00 0.28 H new ATOM 0 HB2 SER A 32 4.166 -10.565 -4.286 1.00 0.30 H new ATOM 0 HB3 SER A 32 3.580 -8.959 -4.671 1.00 0.30 H new ATOM 0 HG SER A 32 5.620 -8.619 -2.979 1.00 0.40 H new ATOM 521 N LEU A 33 5.097 -9.911 -0.774 1.00 0.31 N ATOM 522 CA LEU A 33 5.818 -10.805 0.187 1.00 0.37 C ATOM 523 C LEU A 33 4.895 -11.197 1.352 1.00 0.39 C ATOM 524 O LEU A 33 4.885 -12.337 1.781 1.00 0.45 O ATOM 525 CB LEU A 33 7.045 -10.072 0.740 1.00 0.46 C ATOM 526 CG LEU A 33 8.184 -10.131 -0.281 1.00 0.53 C ATOM 527 CD1 LEU A 33 9.142 -8.961 -0.048 1.00 0.68 C ATOM 528 CD2 LEU A 33 8.941 -11.453 -0.123 1.00 0.66 C ATOM 0 H LEU A 33 5.365 -8.928 -0.732 1.00 0.31 H new ATOM 0 HA LEU A 33 6.128 -11.708 -0.338 1.00 0.37 H new ATOM 0 HB2 LEU A 33 6.793 -9.034 0.959 1.00 0.46 H new ATOM 0 HB3 LEU A 33 7.361 -10.528 1.678 1.00 0.46 H new ATOM 0 HG LEU A 33 7.773 -10.066 -1.288 1.00 0.53 H new ATOM 0 HD11 LEU A 33 9.953 -9.004 -0.775 1.00 0.68 H new ATOM 0 HD12 LEU A 33 8.602 -8.021 -0.161 1.00 0.68 H new ATOM 0 HD13 LEU A 33 9.555 -9.024 0.959 1.00 0.68 H new ATOM 0 HD21 LEU A 33 9.752 -11.497 -0.849 1.00 0.66 H new ATOM 0 HD22 LEU A 33 9.352 -11.519 0.884 1.00 0.66 H new ATOM 0 HD23 LEU A 33 8.258 -12.286 -0.291 1.00 0.66 H new ATOM 540 N GLN A 34 4.136 -10.259 1.875 1.00 0.39 N ATOM 541 CA GLN A 34 3.227 -10.570 3.030 1.00 0.46 C ATOM 542 C GLN A 34 1.909 -11.205 2.551 1.00 0.43 C ATOM 543 O GLN A 34 1.404 -12.120 3.177 1.00 0.53 O ATOM 544 CB GLN A 34 2.926 -9.285 3.819 1.00 0.54 C ATOM 545 CG GLN A 34 2.283 -8.238 2.902 1.00 0.77 C ATOM 546 CD GLN A 34 2.469 -6.845 3.503 1.00 0.66 C ATOM 547 OE1 GLN A 34 3.482 -6.207 3.287 1.00 1.13 O ATOM 548 NE2 GLN A 34 1.529 -6.342 4.252 1.00 0.76 N ATOM 0 H GLN A 34 4.107 -9.292 1.552 1.00 0.39 H new ATOM 0 HA GLN A 34 3.735 -11.287 3.675 1.00 0.46 H new ATOM 0 HB2 GLN A 34 2.259 -9.509 4.651 1.00 0.54 H new ATOM 0 HB3 GLN A 34 3.847 -8.888 4.246 1.00 0.54 H new ATOM 0 HG2 GLN A 34 2.736 -8.281 1.911 1.00 0.77 H new ATOM 0 HG3 GLN A 34 1.222 -8.452 2.777 1.00 0.77 H new ATOM 0 HE21 GLN A 34 0.680 -6.877 4.433 1.00 0.76 H new ATOM 0 HE22 GLN A 34 1.642 -5.413 4.657 1.00 0.76 H new ATOM 557 N ILE A 35 1.345 -10.736 1.458 1.00 0.39 N ATOM 558 CA ILE A 35 0.052 -11.328 0.966 1.00 0.42 C ATOM 559 C ILE A 35 0.327 -12.531 0.054 1.00 0.42 C ATOM 560 O ILE A 35 -0.519 -13.395 -0.104 1.00 0.54 O ATOM 561 CB ILE A 35 -0.784 -10.289 0.191 1.00 0.41 C ATOM 562 CG1 ILE A 35 0.121 -9.365 -0.634 1.00 0.40 C ATOM 563 CG2 ILE A 35 -1.598 -9.449 1.175 1.00 0.49 C ATOM 564 CD1 ILE A 35 -0.719 -8.577 -1.642 1.00 0.45 C ATOM 0 H ILE A 35 1.719 -9.976 0.890 1.00 0.39 H new ATOM 0 HA ILE A 35 -0.512 -11.650 1.841 1.00 0.42 H new ATOM 0 HB ILE A 35 -1.451 -10.822 -0.487 1.00 0.41 H new ATOM 0 HG12 ILE A 35 0.652 -8.678 0.025 1.00 0.40 H new ATOM 0 HG13 ILE A 35 0.875 -9.953 -1.157 1.00 0.40 H new ATOM 0 HG21 ILE A 35 -2.188 -8.715 0.626 1.00 0.49 H new ATOM 0 HG22 ILE A 35 -2.264 -10.098 1.743 1.00 0.49 H new ATOM 0 HG23 ILE A 35 -0.923 -8.934 1.858 1.00 0.49 H new ATOM 0 HD11 ILE A 35 -0.070 -7.923 -2.224 1.00 0.45 H new ATOM 0 HD12 ILE A 35 -1.230 -9.270 -2.311 1.00 0.45 H new ATOM 0 HD13 ILE A 35 -1.456 -7.976 -1.110 1.00 0.45 H new ATOM 576 N GLY A 36 1.491 -12.595 -0.554 1.00 0.38 N ATOM 577 CA GLY A 36 1.805 -13.739 -1.464 1.00 0.40 C ATOM 578 C GLY A 36 0.951 -13.620 -2.730 1.00 0.40 C ATOM 579 O GLY A 36 0.440 -14.602 -3.237 1.00 0.49 O ATOM 0 H GLY A 36 2.234 -11.903 -0.457 1.00 0.38 H new ATOM 0 HA2 GLY A 36 2.864 -13.734 -1.723 1.00 0.40 H new ATOM 0 HA3 GLY A 36 1.604 -14.685 -0.962 1.00 0.40 H new ATOM 583 N THR A 37 0.788 -12.417 -3.228 1.00 0.36 N ATOM 584 CA THR A 37 -0.039 -12.198 -4.456 1.00 0.39 C ATOM 585 C THR A 37 0.867 -11.825 -5.644 1.00 0.36 C ATOM 586 O THR A 37 0.396 -11.696 -6.759 1.00 0.43 O ATOM 587 CB THR A 37 -1.038 -11.055 -4.200 1.00 0.41 C ATOM 588 OG1 THR A 37 -1.480 -11.091 -2.846 1.00 0.47 O ATOM 589 CG2 THR A 37 -2.247 -11.197 -5.128 1.00 0.51 C ATOM 0 H THR A 37 1.197 -11.571 -2.832 1.00 0.36 H new ATOM 0 HA THR A 37 -0.578 -13.116 -4.692 1.00 0.39 H new ATOM 0 HB THR A 37 -0.540 -10.105 -4.396 1.00 0.41 H new ATOM 0 HG1 THR A 37 -2.438 -10.889 -2.809 1.00 0.47 H new ATOM 0 HG21 THR A 37 -2.948 -10.384 -4.939 1.00 0.51 H new ATOM 0 HG22 THR A 37 -1.916 -11.157 -6.166 1.00 0.51 H new ATOM 0 HG23 THR A 37 -2.739 -12.151 -4.941 1.00 0.51 H new ATOM 597 N GLN A 38 2.157 -11.646 -5.412 1.00 0.36 N ATOM 598 CA GLN A 38 3.105 -11.271 -6.516 1.00 0.39 C ATOM 599 C GLN A 38 2.782 -9.853 -7.024 1.00 0.39 C ATOM 600 O GLN A 38 1.661 -9.393 -6.908 1.00 0.40 O ATOM 601 CB GLN A 38 2.995 -12.277 -7.673 1.00 0.46 C ATOM 602 CG GLN A 38 3.921 -13.470 -7.415 1.00 0.64 C ATOM 603 CD GLN A 38 5.034 -13.492 -8.465 1.00 1.11 C ATOM 604 OE1 GLN A 38 6.112 -12.980 -8.233 1.00 1.71 O ATOM 605 NE2 GLN A 38 4.822 -14.067 -9.619 1.00 1.45 N ATOM 0 H GLN A 38 2.592 -11.746 -4.495 1.00 0.36 H new ATOM 0 HA GLN A 38 4.123 -11.289 -6.128 1.00 0.39 H new ATOM 0 HB2 GLN A 38 1.965 -12.620 -7.772 1.00 0.46 H new ATOM 0 HB3 GLN A 38 3.262 -11.794 -8.613 1.00 0.46 H new ATOM 0 HG2 GLN A 38 4.351 -13.400 -6.416 1.00 0.64 H new ATOM 0 HG3 GLN A 38 3.353 -14.399 -7.453 1.00 0.64 H new ATOM 0 HE21 GLN A 38 3.918 -14.497 -9.816 1.00 1.45 H new ATOM 0 HE22 GLN A 38 5.560 -14.086 -10.323 1.00 1.45 H new ATOM 614 N PRO A 39 3.780 -9.198 -7.579 1.00 0.47 N ATOM 615 CA PRO A 39 3.635 -7.825 -8.115 1.00 0.55 C ATOM 616 C PRO A 39 2.842 -7.827 -9.433 1.00 0.57 C ATOM 617 O PRO A 39 2.317 -6.807 -9.845 1.00 0.74 O ATOM 618 CB PRO A 39 5.081 -7.366 -8.330 1.00 0.68 C ATOM 619 CG PRO A 39 5.937 -8.650 -8.435 1.00 0.67 C ATOM 620 CD PRO A 39 5.138 -9.766 -7.736 1.00 0.55 C ATOM 0 HA PRO A 39 3.082 -7.164 -7.447 1.00 0.55 H new ATOM 0 HB2 PRO A 39 5.167 -6.767 -9.236 1.00 0.68 H new ATOM 0 HB3 PRO A 39 5.417 -6.742 -7.502 1.00 0.68 H new ATOM 0 HG2 PRO A 39 6.129 -8.904 -9.477 1.00 0.67 H new ATOM 0 HG3 PRO A 39 6.907 -8.510 -7.958 1.00 0.67 H new ATOM 0 HD2 PRO A 39 5.122 -10.678 -8.333 1.00 0.55 H new ATOM 0 HD3 PRO A 39 5.575 -10.025 -6.772 1.00 0.55 H new ATOM 628 N ASN A 40 2.745 -8.962 -10.088 1.00 0.50 N ATOM 629 CA ASN A 40 1.983 -9.041 -11.371 1.00 0.58 C ATOM 630 C ASN A 40 0.482 -9.243 -11.087 1.00 0.55 C ATOM 631 O ASN A 40 -0.349 -8.986 -11.939 1.00 0.64 O ATOM 632 CB ASN A 40 2.509 -10.217 -12.202 1.00 0.66 C ATOM 633 CG ASN A 40 3.915 -9.894 -12.718 1.00 0.79 C ATOM 634 OD1 ASN A 40 4.067 -9.304 -13.769 1.00 1.06 O ATOM 635 ND2 ASN A 40 4.956 -10.259 -12.018 1.00 0.89 N ATOM 0 H ASN A 40 3.165 -9.841 -9.784 1.00 0.50 H new ATOM 0 HA ASN A 40 2.116 -8.110 -11.922 1.00 0.58 H new ATOM 0 HB2 ASN A 40 2.532 -11.122 -11.595 1.00 0.66 H new ATOM 0 HB3 ASN A 40 1.839 -10.412 -13.040 1.00 0.66 H new ATOM 0 HD21 ASN A 40 5.896 -10.049 -12.354 1.00 0.89 H new ATOM 0 HD22 ASN A 40 4.829 -10.754 -11.135 1.00 0.89 H new ATOM 642 N LYS A 41 0.130 -9.699 -9.900 1.00 0.49 N ATOM 643 CA LYS A 41 -1.315 -9.917 -9.567 1.00 0.50 C ATOM 644 C LYS A 41 -1.805 -8.854 -8.564 1.00 0.43 C ATOM 645 O LYS A 41 -2.923 -8.926 -8.082 1.00 0.49 O ATOM 646 CB LYS A 41 -1.489 -11.315 -8.957 1.00 0.53 C ATOM 647 CG LYS A 41 -2.811 -11.926 -9.436 1.00 0.70 C ATOM 648 CD LYS A 41 -3.513 -12.629 -8.269 1.00 0.95 C ATOM 649 CE LYS A 41 -4.438 -13.721 -8.817 1.00 1.15 C ATOM 650 NZ LYS A 41 -5.607 -13.899 -7.907 1.00 1.72 N ATOM 0 H LYS A 41 0.784 -9.928 -9.151 1.00 0.49 H new ATOM 0 HA LYS A 41 -1.904 -9.833 -10.480 1.00 0.50 H new ATOM 0 HB2 LYS A 41 -0.655 -11.955 -9.246 1.00 0.53 H new ATOM 0 HB3 LYS A 41 -1.480 -11.251 -7.869 1.00 0.53 H new ATOM 0 HG2 LYS A 41 -3.455 -11.147 -9.843 1.00 0.70 H new ATOM 0 HG3 LYS A 41 -2.623 -12.637 -10.240 1.00 0.70 H new ATOM 0 HD2 LYS A 41 -2.775 -13.066 -7.596 1.00 0.95 H new ATOM 0 HD3 LYS A 41 -4.088 -11.908 -7.688 1.00 0.95 H new ATOM 0 HE2 LYS A 41 -4.781 -13.452 -9.816 1.00 1.15 H new ATOM 0 HE3 LYS A 41 -3.892 -14.660 -8.910 1.00 1.15 H new ATOM 0 HZ1 LYS A 41 -6.231 -14.641 -8.284 1.00 1.72 H new ATOM 0 HZ2 LYS A 41 -5.272 -14.175 -6.962 1.00 1.72 H new ATOM 0 HZ3 LYS A 41 -6.134 -13.005 -7.840 1.00 1.72 H new ATOM 664 N ILE A 42 -0.989 -7.870 -8.246 1.00 0.39 N ATOM 665 CA ILE A 42 -1.421 -6.813 -7.278 1.00 0.35 C ATOM 666 C ILE A 42 -1.761 -5.525 -8.043 1.00 0.36 C ATOM 667 O ILE A 42 -0.979 -5.041 -8.843 1.00 0.43 O ATOM 668 CB ILE A 42 -0.291 -6.548 -6.268 1.00 0.36 C ATOM 669 CG1 ILE A 42 -0.190 -7.734 -5.302 1.00 0.37 C ATOM 670 CG2 ILE A 42 -0.589 -5.275 -5.467 1.00 0.38 C ATOM 671 CD1 ILE A 42 1.126 -7.658 -4.523 1.00 0.43 C ATOM 0 H ILE A 42 -0.045 -7.757 -8.616 1.00 0.39 H new ATOM 0 HA ILE A 42 -2.307 -7.149 -6.739 1.00 0.35 H new ATOM 0 HB ILE A 42 0.648 -6.422 -6.808 1.00 0.36 H new ATOM 0 HG12 ILE A 42 -1.033 -7.725 -4.611 1.00 0.37 H new ATOM 0 HG13 ILE A 42 -0.242 -8.671 -5.856 1.00 0.37 H new ATOM 0 HG21 ILE A 42 0.217 -5.096 -4.755 1.00 0.38 H new ATOM 0 HG22 ILE A 42 -0.667 -4.427 -6.147 1.00 0.38 H new ATOM 0 HG23 ILE A 42 -1.529 -5.396 -4.929 1.00 0.38 H new ATOM 0 HD11 ILE A 42 1.193 -8.503 -3.838 1.00 0.43 H new ATOM 0 HD12 ILE A 42 1.964 -7.689 -5.220 1.00 0.43 H new ATOM 0 HD13 ILE A 42 1.160 -6.728 -3.956 1.00 0.43 H new ATOM 683 N VAL A 43 -2.926 -4.975 -7.794 1.00 0.36 N ATOM 684 CA VAL A 43 -3.343 -3.718 -8.487 1.00 0.38 C ATOM 685 C VAL A 43 -3.594 -2.625 -7.440 1.00 0.36 C ATOM 686 O VAL A 43 -4.551 -2.684 -6.687 1.00 0.40 O ATOM 687 CB VAL A 43 -4.630 -3.973 -9.286 1.00 0.43 C ATOM 688 CG1 VAL A 43 -5.039 -2.699 -10.033 1.00 0.53 C ATOM 689 CG2 VAL A 43 -4.394 -5.101 -10.296 1.00 0.58 C ATOM 0 H VAL A 43 -3.610 -5.347 -7.135 1.00 0.36 H new ATOM 0 HA VAL A 43 -2.556 -3.397 -9.169 1.00 0.38 H new ATOM 0 HB VAL A 43 -5.426 -4.260 -8.598 1.00 0.43 H new ATOM 0 HG11 VAL A 43 -5.952 -2.886 -10.598 1.00 0.53 H new ATOM 0 HG12 VAL A 43 -5.214 -1.897 -9.316 1.00 0.53 H new ATOM 0 HG13 VAL A 43 -4.242 -2.407 -10.717 1.00 0.53 H new ATOM 0 HG21 VAL A 43 -5.308 -5.280 -10.862 1.00 0.58 H new ATOM 0 HG22 VAL A 43 -3.594 -4.816 -10.980 1.00 0.58 H new ATOM 0 HG23 VAL A 43 -4.111 -6.011 -9.766 1.00 0.58 H new ATOM 699 N LEU A 44 -2.740 -1.630 -7.390 1.00 0.35 N ATOM 700 CA LEU A 44 -2.917 -0.527 -6.396 1.00 0.36 C ATOM 701 C LEU A 44 -3.573 0.678 -7.081 1.00 0.34 C ATOM 702 O LEU A 44 -3.218 1.038 -8.191 1.00 0.40 O ATOM 703 CB LEU A 44 -1.551 -0.121 -5.833 1.00 0.42 C ATOM 704 CG LEU A 44 -1.436 -0.589 -4.379 1.00 0.56 C ATOM 705 CD1 LEU A 44 -0.322 -1.630 -4.262 1.00 0.63 C ATOM 706 CD2 LEU A 44 -1.112 0.611 -3.484 1.00 0.94 C ATOM 0 H LEU A 44 -1.926 -1.535 -7.997 1.00 0.35 H new ATOM 0 HA LEU A 44 -3.555 -0.870 -5.581 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -0.754 -0.562 -6.432 1.00 0.42 H new ATOM 0 HB3 LEU A 44 -1.430 0.961 -5.888 1.00 0.42 H new ATOM 0 HG LEU A 44 -2.380 -1.034 -4.064 1.00 0.56 H new ATOM 0 HD11 LEU A 44 -0.241 -1.962 -3.227 1.00 0.63 H new ATOM 0 HD12 LEU A 44 -0.553 -2.483 -4.900 1.00 0.63 H new ATOM 0 HD13 LEU A 44 0.624 -1.188 -4.576 1.00 0.63 H new ATOM 0 HD21 LEU A 44 -1.030 0.281 -2.448 1.00 0.94 H new ATOM 0 HD22 LEU A 44 -0.168 1.056 -3.799 1.00 0.94 H new ATOM 0 HD23 LEU A 44 -1.907 1.352 -3.566 1.00 0.94 H new ATOM 718 N GLN A 45 -4.530 1.299 -6.429 1.00 0.36 N ATOM 719 CA GLN A 45 -5.219 2.481 -7.039 1.00 0.37 C ATOM 720 C GLN A 45 -5.267 3.637 -6.032 1.00 0.38 C ATOM 721 O GLN A 45 -5.355 3.426 -4.835 1.00 0.47 O ATOM 722 CB GLN A 45 -6.650 2.102 -7.444 1.00 0.41 C ATOM 723 CG GLN A 45 -6.650 0.754 -8.175 1.00 0.44 C ATOM 724 CD GLN A 45 -7.590 0.821 -9.380 1.00 0.51 C ATOM 725 OE1 GLN A 45 -8.770 0.557 -9.260 1.00 0.76 O ATOM 726 NE2 GLN A 45 -7.115 1.164 -10.548 1.00 0.86 N ATOM 0 H GLN A 45 -4.863 1.037 -5.501 1.00 0.36 H new ATOM 0 HA GLN A 45 -4.662 2.793 -7.923 1.00 0.37 H new ATOM 0 HB2 GLN A 45 -7.284 2.045 -6.559 1.00 0.41 H new ATOM 0 HB3 GLN A 45 -7.071 2.874 -8.088 1.00 0.41 H new ATOM 0 HG2 GLN A 45 -5.640 0.507 -8.503 1.00 0.44 H new ATOM 0 HG3 GLN A 45 -6.968 -0.038 -7.497 1.00 0.44 H new ATOM 0 HE21 GLN A 45 -6.125 1.386 -10.651 1.00 0.86 H new ATOM 0 HE22 GLN A 45 -7.734 1.210 -11.357 1.00 0.86 H new ATOM 735 N LYS A 46 -5.212 4.858 -6.513 1.00 0.41 N ATOM 736 CA LYS A 46 -5.255 6.039 -5.598 1.00 0.44 C ATOM 737 C LYS A 46 -6.305 7.042 -6.100 1.00 0.50 C ATOM 738 O LYS A 46 -6.090 7.745 -7.074 1.00 0.60 O ATOM 739 CB LYS A 46 -3.874 6.707 -5.567 1.00 0.49 C ATOM 740 CG LYS A 46 -3.863 7.826 -4.519 1.00 0.62 C ATOM 741 CD LYS A 46 -2.678 7.629 -3.571 1.00 0.82 C ATOM 742 CE LYS A 46 -2.803 8.590 -2.387 1.00 0.73 C ATOM 743 NZ LYS A 46 -2.108 8.016 -1.201 1.00 0.82 N ATOM 0 H LYS A 46 -5.139 5.085 -7.505 1.00 0.41 H new ATOM 0 HA LYS A 46 -5.523 5.713 -4.593 1.00 0.44 H new ATOM 0 HB2 LYS A 46 -3.108 5.968 -5.332 1.00 0.49 H new ATOM 0 HB3 LYS A 46 -3.634 7.114 -6.549 1.00 0.49 H new ATOM 0 HG2 LYS A 46 -3.792 8.797 -5.009 1.00 0.62 H new ATOM 0 HG3 LYS A 46 -4.797 7.821 -3.957 1.00 0.62 H new ATOM 0 HD2 LYS A 46 -2.651 6.599 -3.215 1.00 0.82 H new ATOM 0 HD3 LYS A 46 -1.742 7.808 -4.100 1.00 0.82 H new ATOM 0 HE2 LYS A 46 -2.369 9.556 -2.643 1.00 0.73 H new ATOM 0 HE3 LYS A 46 -3.854 8.764 -2.156 1.00 0.73 H new ATOM 0 HZ1 LYS A 46 -2.670 8.201 -0.346 1.00 0.82 H new ATOM 0 HZ2 LYS A 46 -1.997 6.990 -1.327 1.00 0.82 H new ATOM 0 HZ3 LYS A 46 -1.171 8.456 -1.101 1.00 0.82 H new ATOM 757 N GLY A 47 -7.436 7.112 -5.436 1.00 0.63 N ATOM 758 CA GLY A 47 -8.512 8.066 -5.855 1.00 0.78 C ATOM 759 C GLY A 47 -9.025 7.705 -7.253 1.00 0.73 C ATOM 760 O GLY A 47 -9.178 8.564 -8.103 1.00 0.84 O ATOM 0 H GLY A 47 -7.660 6.546 -4.618 1.00 0.63 H new ATOM 0 HA2 GLY A 47 -9.334 8.036 -5.139 1.00 0.78 H new ATOM 0 HA3 GLY A 47 -8.125 9.085 -5.854 1.00 0.78 H new ATOM 764 N GLY A 48 -9.289 6.441 -7.496 1.00 0.67 N ATOM 765 CA GLY A 48 -9.792 6.011 -8.837 1.00 0.70 C ATOM 766 C GLY A 48 -8.697 6.201 -9.894 1.00 0.66 C ATOM 767 O GLY A 48 -8.954 6.685 -10.982 1.00 0.89 O ATOM 0 H GLY A 48 -9.176 5.687 -6.818 1.00 0.67 H new ATOM 0 HA2 GLY A 48 -10.097 4.965 -8.802 1.00 0.70 H new ATOM 0 HA3 GLY A 48 -10.674 6.592 -9.107 1.00 0.70 H new ATOM 771 N SER A 49 -7.479 5.819 -9.580 1.00 0.54 N ATOM 772 CA SER A 49 -6.356 5.965 -10.557 1.00 0.56 C ATOM 773 C SER A 49 -5.406 4.772 -10.407 1.00 0.48 C ATOM 774 O SER A 49 -5.083 4.365 -9.308 1.00 0.49 O ATOM 775 CB SER A 49 -5.599 7.266 -10.278 1.00 0.63 C ATOM 776 OG SER A 49 -5.694 8.118 -11.413 1.00 1.20 O ATOM 0 H SER A 49 -7.216 5.410 -8.683 1.00 0.54 H new ATOM 0 HA SER A 49 -6.752 5.994 -11.572 1.00 0.56 H new ATOM 0 HB2 SER A 49 -6.016 7.762 -9.401 1.00 0.63 H new ATOM 0 HB3 SER A 49 -4.554 7.052 -10.056 1.00 0.63 H new ATOM 0 HG SER A 49 -5.212 8.953 -11.237 1.00 1.20 H new ATOM 782 N VAL A 50 -4.965 4.204 -11.505 1.00 0.53 N ATOM 783 CA VAL A 50 -4.046 3.026 -11.428 1.00 0.53 C ATOM 784 C VAL A 50 -2.608 3.488 -11.143 1.00 0.48 C ATOM 785 O VAL A 50 -2.081 4.366 -11.806 1.00 0.58 O ATOM 786 CB VAL A 50 -4.100 2.241 -12.750 1.00 0.68 C ATOM 787 CG1 VAL A 50 -3.546 3.092 -13.901 1.00 0.81 C ATOM 788 CG2 VAL A 50 -3.273 0.959 -12.616 1.00 0.78 C ATOM 0 H VAL A 50 -5.202 4.506 -12.450 1.00 0.53 H new ATOM 0 HA VAL A 50 -4.367 2.377 -10.613 1.00 0.53 H new ATOM 0 HB VAL A 50 -5.138 1.989 -12.968 1.00 0.68 H new ATOM 0 HG11 VAL A 50 -3.591 2.522 -14.829 1.00 0.81 H new ATOM 0 HG12 VAL A 50 -4.142 3.999 -14.003 1.00 0.81 H new ATOM 0 HG13 VAL A 50 -2.511 3.360 -13.690 1.00 0.81 H new ATOM 0 HG21 VAL A 50 -3.311 0.402 -13.552 1.00 0.78 H new ATOM 0 HG22 VAL A 50 -2.238 1.216 -12.388 1.00 0.78 H new ATOM 0 HG23 VAL A 50 -3.680 0.346 -11.812 1.00 0.78 H new ATOM 798 N LEU A 51 -1.974 2.891 -10.160 1.00 0.45 N ATOM 799 CA LEU A 51 -0.569 3.270 -9.818 1.00 0.44 C ATOM 800 C LEU A 51 0.388 2.373 -10.608 1.00 0.44 C ATOM 801 O LEU A 51 0.211 1.166 -10.665 1.00 0.57 O ATOM 802 CB LEU A 51 -0.323 3.087 -8.313 1.00 0.50 C ATOM 803 CG LEU A 51 -1.471 3.711 -7.508 1.00 0.52 C ATOM 804 CD1 LEU A 51 -1.211 3.522 -6.012 1.00 0.61 C ATOM 805 CD2 LEU A 51 -1.564 5.207 -7.819 1.00 0.50 C ATOM 0 H LEU A 51 -2.374 2.154 -9.579 1.00 0.45 H new ATOM 0 HA LEU A 51 -0.400 4.316 -10.075 1.00 0.44 H new ATOM 0 HB2 LEU A 51 -0.239 2.026 -8.077 1.00 0.50 H new ATOM 0 HB3 LEU A 51 0.622 3.552 -8.033 1.00 0.50 H new ATOM 0 HG LEU A 51 -2.407 3.223 -7.781 1.00 0.52 H new ATOM 0 HD11 LEU A 51 -2.027 3.966 -5.442 1.00 0.61 H new ATOM 0 HD12 LEU A 51 -1.147 2.458 -5.785 1.00 0.61 H new ATOM 0 HD13 LEU A 51 -0.273 4.008 -5.741 1.00 0.61 H new ATOM 0 HD21 LEU A 51 -2.380 5.648 -7.246 1.00 0.50 H new ATOM 0 HD22 LEU A 51 -0.627 5.694 -7.549 1.00 0.50 H new ATOM 0 HD23 LEU A 51 -1.752 5.346 -8.884 1.00 0.50 H new ATOM 817 N LYS A 52 1.391 2.949 -11.226 1.00 0.42 N ATOM 818 CA LYS A 52 2.354 2.129 -12.025 1.00 0.45 C ATOM 819 C LYS A 52 3.754 2.196 -11.409 1.00 0.40 C ATOM 820 O LYS A 52 4.134 3.178 -10.795 1.00 0.38 O ATOM 821 CB LYS A 52 2.396 2.647 -13.466 1.00 0.53 C ATOM 822 CG LYS A 52 1.812 1.583 -14.402 1.00 0.79 C ATOM 823 CD LYS A 52 1.676 2.156 -15.816 1.00 1.33 C ATOM 824 CE LYS A 52 1.097 1.093 -16.758 1.00 1.69 C ATOM 825 NZ LYS A 52 -0.024 0.366 -16.091 1.00 2.39 N ATOM 0 H LYS A 52 1.584 3.950 -11.211 1.00 0.42 H new ATOM 0 HA LYS A 52 2.021 1.091 -12.020 1.00 0.45 H new ATOM 0 HB2 LYS A 52 1.827 3.573 -13.549 1.00 0.53 H new ATOM 0 HB3 LYS A 52 3.422 2.877 -13.753 1.00 0.53 H new ATOM 0 HG2 LYS A 52 2.457 0.704 -14.416 1.00 0.79 H new ATOM 0 HG3 LYS A 52 0.838 1.258 -14.036 1.00 0.79 H new ATOM 0 HD2 LYS A 52 1.029 3.033 -15.802 1.00 1.33 H new ATOM 0 HD3 LYS A 52 2.650 2.485 -16.180 1.00 1.33 H new ATOM 0 HE2 LYS A 52 0.740 1.564 -17.674 1.00 1.69 H new ATOM 0 HE3 LYS A 52 1.877 0.388 -17.045 1.00 1.69 H new ATOM 0 HZ1 LYS A 52 -0.608 -0.107 -16.810 1.00 2.39 H new ATOM 0 HZ2 LYS A 52 0.363 -0.344 -15.437 1.00 2.39 H new ATOM 0 HZ3 LYS A 52 -0.609 1.042 -15.560 1.00 2.39 H new ATOM 839 N ASP A 53 4.517 1.141 -11.575 1.00 0.45 N ATOM 840 CA ASP A 53 5.904 1.089 -11.013 1.00 0.47 C ATOM 841 C ASP A 53 6.785 2.201 -11.608 1.00 0.44 C ATOM 842 O ASP A 53 7.742 2.629 -10.991 1.00 0.51 O ATOM 843 CB ASP A 53 6.527 -0.279 -11.332 1.00 0.57 C ATOM 844 CG ASP A 53 6.656 -0.461 -12.852 1.00 0.61 C ATOM 845 OD1 ASP A 53 5.673 -0.835 -13.474 1.00 0.69 O ATOM 846 OD2 ASP A 53 7.737 -0.222 -13.368 1.00 0.68 O ATOM 0 H ASP A 53 4.233 0.303 -12.083 1.00 0.45 H new ATOM 0 HA ASP A 53 5.846 1.237 -9.935 1.00 0.47 H new ATOM 0 HB2 ASP A 53 7.508 -0.358 -10.864 1.00 0.57 H new ATOM 0 HB3 ASP A 53 5.910 -1.074 -10.914 1.00 0.57 H new ATOM 851 N HIS A 54 6.476 2.662 -12.799 1.00 0.41 N ATOM 852 CA HIS A 54 7.301 3.736 -13.437 1.00 0.46 C ATOM 853 C HIS A 54 7.139 5.073 -12.690 1.00 0.43 C ATOM 854 O HIS A 54 7.903 5.998 -12.907 1.00 0.56 O ATOM 855 CB HIS A 54 6.861 3.910 -14.893 1.00 0.51 C ATOM 856 CG HIS A 54 7.227 2.678 -15.675 1.00 0.61 C ATOM 857 ND1 HIS A 54 6.299 1.699 -15.989 1.00 0.83 N ATOM 858 CD2 HIS A 54 8.417 2.251 -16.208 1.00 0.93 C ATOM 859 CE1 HIS A 54 6.940 0.741 -16.682 1.00 0.92 C ATOM 860 NE2 HIS A 54 8.235 1.027 -16.843 1.00 0.97 N ATOM 0 H HIS A 54 5.686 2.339 -13.357 1.00 0.41 H new ATOM 0 HA HIS A 54 8.350 3.442 -13.393 1.00 0.46 H new ATOM 0 HB2 HIS A 54 5.785 4.079 -14.942 1.00 0.51 H new ATOM 0 HB3 HIS A 54 7.342 4.786 -15.328 1.00 0.51 H new ATOM 0 HD2 HIS A 54 9.354 2.785 -16.144 1.00 0.93 H new ATOM 0 HE1 HIS A 54 6.465 -0.151 -17.062 1.00 0.92 H new ATOM 0 HE2 HIS A 54 8.938 0.469 -17.327 1.00 0.97 H new ATOM 868 N ILE A 55 6.161 5.187 -11.819 1.00 0.36 N ATOM 869 CA ILE A 55 5.959 6.464 -11.068 1.00 0.36 C ATOM 870 C ILE A 55 6.340 6.260 -9.594 1.00 0.33 C ATOM 871 O ILE A 55 6.097 5.213 -9.018 1.00 0.35 O ATOM 872 CB ILE A 55 4.490 6.897 -11.179 1.00 0.39 C ATOM 873 CG1 ILE A 55 4.162 7.221 -12.643 1.00 0.49 C ATOM 874 CG2 ILE A 55 4.250 8.145 -10.324 1.00 0.43 C ATOM 875 CD1 ILE A 55 3.599 5.978 -13.339 1.00 0.60 C ATOM 0 H ILE A 55 5.494 4.447 -11.598 1.00 0.36 H new ATOM 0 HA ILE A 55 6.592 7.242 -11.493 1.00 0.36 H new ATOM 0 HB ILE A 55 3.851 6.087 -10.827 1.00 0.39 H new ATOM 0 HG12 ILE A 55 3.438 8.035 -12.691 1.00 0.49 H new ATOM 0 HG13 ILE A 55 5.060 7.562 -13.159 1.00 0.49 H new ATOM 0 HG21 ILE A 55 3.206 8.448 -10.407 1.00 0.43 H new ATOM 0 HG22 ILE A 55 4.482 7.923 -9.282 1.00 0.43 H new ATOM 0 HG23 ILE A 55 4.891 8.954 -10.674 1.00 0.43 H new ATOM 0 HD11 ILE A 55 3.369 6.216 -14.378 1.00 0.60 H new ATOM 0 HD12 ILE A 55 4.337 5.176 -13.305 1.00 0.60 H new ATOM 0 HD13 ILE A 55 2.690 5.656 -12.830 1.00 0.60 H new ATOM 887 N SER A 56 6.940 7.258 -8.988 1.00 0.33 N ATOM 888 CA SER A 56 7.352 7.143 -7.553 1.00 0.32 C ATOM 889 C SER A 56 6.134 7.321 -6.633 1.00 0.30 C ATOM 890 O SER A 56 5.176 7.992 -6.979 1.00 0.34 O ATOM 891 CB SER A 56 8.400 8.215 -7.231 1.00 0.38 C ATOM 892 OG SER A 56 7.847 9.509 -7.453 1.00 0.53 O ATOM 0 H SER A 56 7.163 8.151 -9.428 1.00 0.33 H new ATOM 0 HA SER A 56 7.778 6.154 -7.387 1.00 0.32 H new ATOM 0 HB2 SER A 56 8.724 8.120 -6.195 1.00 0.38 H new ATOM 0 HB3 SER A 56 9.282 8.074 -7.855 1.00 0.38 H new ATOM 0 HG SER A 56 8.518 10.192 -7.245 1.00 0.53 H new ATOM 898 N LEU A 57 6.177 6.731 -5.459 1.00 0.29 N ATOM 899 CA LEU A 57 5.038 6.861 -4.494 1.00 0.32 C ATOM 900 C LEU A 57 4.855 8.337 -4.116 1.00 0.35 C ATOM 901 O LEU A 57 3.745 8.801 -3.930 1.00 0.42 O ATOM 902 CB LEU A 57 5.334 6.042 -3.231 1.00 0.35 C ATOM 903 CG LEU A 57 5.241 4.545 -3.546 1.00 0.37 C ATOM 904 CD1 LEU A 57 5.900 3.746 -2.420 1.00 0.47 C ATOM 905 CD2 LEU A 57 3.769 4.134 -3.668 1.00 0.46 C ATOM 0 H LEU A 57 6.957 6.163 -5.128 1.00 0.29 H new ATOM 0 HA LEU A 57 4.126 6.488 -4.960 1.00 0.32 H new ATOM 0 HB2 LEU A 57 6.329 6.282 -2.856 1.00 0.35 H new ATOM 0 HB3 LEU A 57 4.626 6.302 -2.444 1.00 0.35 H new ATOM 0 HG LEU A 57 5.753 4.342 -4.487 1.00 0.37 H new ATOM 0 HD11 LEU A 57 5.834 2.681 -2.643 1.00 0.47 H new ATOM 0 HD12 LEU A 57 6.947 4.035 -2.334 1.00 0.47 H new ATOM 0 HD13 LEU A 57 5.388 3.952 -1.480 1.00 0.47 H new ATOM 0 HD21 LEU A 57 3.706 3.069 -3.892 1.00 0.46 H new ATOM 0 HD22 LEU A 57 3.255 4.338 -2.729 1.00 0.46 H new ATOM 0 HD23 LEU A 57 3.298 4.702 -4.470 1.00 0.46 H new ATOM 917 N GLU A 58 5.942 9.075 -4.013 1.00 0.35 N ATOM 918 CA GLU A 58 5.853 10.527 -3.663 1.00 0.42 C ATOM 919 C GLU A 58 5.051 11.269 -4.741 1.00 0.39 C ATOM 920 O GLU A 58 4.326 12.203 -4.448 1.00 0.44 O ATOM 921 CB GLU A 58 7.264 11.120 -3.575 1.00 0.51 C ATOM 922 CG GLU A 58 7.258 12.333 -2.639 1.00 0.60 C ATOM 923 CD GLU A 58 7.273 11.862 -1.180 1.00 0.91 C ATOM 924 OE1 GLU A 58 8.343 11.533 -0.692 1.00 1.21 O ATOM 925 OE2 GLU A 58 6.213 11.842 -0.573 1.00 1.06 O ATOM 0 H GLU A 58 6.890 8.727 -4.158 1.00 0.35 H new ATOM 0 HA GLU A 58 5.352 10.637 -2.701 1.00 0.42 H new ATOM 0 HB2 GLU A 58 7.962 10.368 -3.207 1.00 0.51 H new ATOM 0 HB3 GLU A 58 7.607 11.416 -4.567 1.00 0.51 H new ATOM 0 HG2 GLU A 58 8.126 12.961 -2.837 1.00 0.60 H new ATOM 0 HG3 GLU A 58 6.374 12.943 -2.825 1.00 0.60 H new ATOM 932 N ASP A 59 5.169 10.850 -5.984 1.00 0.38 N ATOM 933 CA ASP A 59 4.408 11.514 -7.089 1.00 0.40 C ATOM 934 C ASP A 59 2.906 11.288 -6.875 1.00 0.37 C ATOM 935 O ASP A 59 2.108 12.194 -7.030 1.00 0.43 O ATOM 936 CB ASP A 59 4.830 10.910 -8.435 1.00 0.47 C ATOM 937 CG ASP A 59 4.987 12.024 -9.474 1.00 1.04 C ATOM 938 OD1 ASP A 59 6.078 12.562 -9.578 1.00 1.48 O ATOM 939 OD2 ASP A 59 4.015 12.320 -10.150 1.00 1.54 O ATOM 0 H ASP A 59 5.762 10.074 -6.278 1.00 0.38 H new ATOM 0 HA ASP A 59 4.621 12.583 -7.090 1.00 0.40 H new ATOM 0 HB2 ASP A 59 5.770 10.369 -8.323 1.00 0.47 H new ATOM 0 HB3 ASP A 59 4.085 10.189 -8.771 1.00 0.47 H new ATOM 944 N TYR A 60 2.525 10.086 -6.507 1.00 0.35 N ATOM 945 CA TYR A 60 1.081 9.778 -6.262 1.00 0.37 C ATOM 946 C TYR A 60 0.615 10.424 -4.944 1.00 0.39 C ATOM 947 O TYR A 60 -0.572 10.531 -4.695 1.00 0.44 O ATOM 948 CB TYR A 60 0.890 8.259 -6.178 1.00 0.40 C ATOM 949 CG TYR A 60 0.905 7.666 -7.569 1.00 0.35 C ATOM 950 CD1 TYR A 60 -0.021 8.101 -8.527 1.00 0.43 C ATOM 951 CD2 TYR A 60 1.841 6.678 -7.899 1.00 0.38 C ATOM 952 CE1 TYR A 60 -0.007 7.551 -9.814 1.00 0.45 C ATOM 953 CE2 TYR A 60 1.853 6.129 -9.186 1.00 0.41 C ATOM 954 CZ TYR A 60 0.929 6.564 -10.142 1.00 0.41 C ATOM 955 OH TYR A 60 0.940 6.020 -11.410 1.00 0.50 O ATOM 0 H TYR A 60 3.159 9.300 -6.365 1.00 0.35 H new ATOM 0 HA TYR A 60 0.489 10.180 -7.084 1.00 0.37 H new ATOM 0 HB2 TYR A 60 1.682 7.816 -5.575 1.00 0.40 H new ATOM 0 HB3 TYR A 60 -0.054 8.028 -5.684 1.00 0.40 H new ATOM 0 HD1 TYR A 60 -0.745 8.861 -8.272 1.00 0.43 H new ATOM 0 HD2 TYR A 60 2.553 6.340 -7.161 1.00 0.38 H new ATOM 0 HE1 TYR A 60 -0.718 7.888 -10.553 1.00 0.45 H new ATOM 0 HE2 TYR A 60 2.576 5.369 -9.442 1.00 0.41 H new ATOM 0 HH TYR A 60 0.624 6.687 -12.055 1.00 0.50 H new ATOM 965 N GLU A 61 1.548 10.840 -4.103 1.00 0.37 N ATOM 966 CA GLU A 61 1.205 11.476 -2.788 1.00 0.41 C ATOM 967 C GLU A 61 0.948 10.378 -1.744 1.00 0.39 C ATOM 968 O GLU A 61 -0.141 10.241 -1.214 1.00 0.51 O ATOM 969 CB GLU A 61 -0.026 12.390 -2.929 1.00 0.52 C ATOM 970 CG GLU A 61 0.103 13.580 -1.972 1.00 0.68 C ATOM 971 CD GLU A 61 -0.739 13.331 -0.716 1.00 1.00 C ATOM 972 OE1 GLU A 61 -1.908 13.684 -0.730 1.00 1.19 O ATOM 973 OE2 GLU A 61 -0.201 12.792 0.237 1.00 1.48 O ATOM 0 H GLU A 61 2.549 10.761 -4.282 1.00 0.37 H new ATOM 0 HA GLU A 61 2.042 12.093 -2.461 1.00 0.41 H new ATOM 0 HB2 GLU A 61 -0.112 12.744 -3.956 1.00 0.52 H new ATOM 0 HB3 GLU A 61 -0.934 11.830 -2.708 1.00 0.52 H new ATOM 0 HG2 GLU A 61 1.148 13.726 -1.697 1.00 0.68 H new ATOM 0 HG3 GLU A 61 -0.227 14.493 -2.467 1.00 0.68 H new ATOM 980 N VAL A 62 1.962 9.601 -1.447 1.00 0.43 N ATOM 981 CA VAL A 62 1.821 8.507 -0.437 1.00 0.43 C ATOM 982 C VAL A 62 2.598 8.905 0.823 1.00 0.45 C ATOM 983 O VAL A 62 3.817 8.854 0.856 1.00 0.61 O ATOM 984 CB VAL A 62 2.384 7.200 -1.016 1.00 0.46 C ATOM 985 CG1 VAL A 62 2.256 6.074 0.016 1.00 0.52 C ATOM 986 CG2 VAL A 62 1.602 6.821 -2.280 1.00 0.46 C ATOM 0 H VAL A 62 2.889 9.680 -1.865 1.00 0.43 H new ATOM 0 HA VAL A 62 0.771 8.355 -0.187 1.00 0.43 H new ATOM 0 HB VAL A 62 3.436 7.344 -1.264 1.00 0.46 H new ATOM 0 HG11 VAL A 62 2.657 5.150 -0.401 1.00 0.52 H new ATOM 0 HG12 VAL A 62 2.814 6.339 0.914 1.00 0.52 H new ATOM 0 HG13 VAL A 62 1.206 5.931 0.270 1.00 0.52 H new ATOM 0 HG21 VAL A 62 2.002 5.894 -2.691 1.00 0.46 H new ATOM 0 HG22 VAL A 62 0.550 6.683 -2.030 1.00 0.46 H new ATOM 0 HG23 VAL A 62 1.698 7.616 -3.019 1.00 0.46 H new ATOM 996 N HIS A 63 1.898 9.317 1.854 1.00 0.40 N ATOM 997 CA HIS A 63 2.580 9.741 3.117 1.00 0.44 C ATOM 998 C HIS A 63 2.279 8.744 4.248 1.00 0.38 C ATOM 999 O HIS A 63 1.649 7.721 4.040 1.00 0.39 O ATOM 1000 CB HIS A 63 2.083 11.137 3.509 1.00 0.50 C ATOM 1001 CG HIS A 63 2.881 12.177 2.771 1.00 0.68 C ATOM 1002 ND1 HIS A 63 2.332 12.950 1.761 1.00 1.12 N ATOM 1003 CD2 HIS A 63 4.188 12.580 2.883 1.00 1.17 C ATOM 1004 CE1 HIS A 63 3.298 13.769 1.308 1.00 1.25 C ATOM 1005 NE2 HIS A 63 4.449 13.585 1.958 1.00 1.26 N ATOM 0 H HIS A 63 0.880 9.378 1.874 1.00 0.40 H new ATOM 0 HA HIS A 63 3.658 9.764 2.954 1.00 0.44 H new ATOM 0 HB2 HIS A 63 1.024 11.238 3.271 1.00 0.50 H new ATOM 0 HB3 HIS A 63 2.183 11.282 4.585 1.00 0.50 H new ATOM 0 HD1 HIS A 63 1.371 12.906 1.423 1.00 1.12 H new ATOM 0 HD2 HIS A 63 4.905 12.178 3.583 1.00 1.17 H new ATOM 0 HE1 HIS A 63 3.159 14.488 0.514 1.00 1.25 H new ATOM 1013 N ASP A 64 2.736 9.039 5.445 1.00 0.37 N ATOM 1014 CA ASP A 64 2.496 8.123 6.604 1.00 0.35 C ATOM 1015 C ASP A 64 0.997 8.055 6.919 1.00 0.32 C ATOM 1016 O ASP A 64 0.305 9.059 6.920 1.00 0.38 O ATOM 1017 CB ASP A 64 3.254 8.641 7.833 1.00 0.40 C ATOM 1018 CG ASP A 64 3.422 7.508 8.851 1.00 0.54 C ATOM 1019 OD1 ASP A 64 2.521 7.320 9.654 1.00 0.78 O ATOM 1020 OD2 ASP A 64 4.447 6.848 8.812 1.00 0.85 O ATOM 0 H ASP A 64 3.268 9.881 5.667 1.00 0.37 H new ATOM 0 HA ASP A 64 2.852 7.125 6.348 1.00 0.35 H new ATOM 0 HB2 ASP A 64 4.230 9.024 7.536 1.00 0.40 H new ATOM 0 HB3 ASP A 64 2.710 9.471 8.284 1.00 0.40 H new ATOM 1025 N GLN A 65 0.501 6.868 7.188 1.00 0.31 N ATOM 1026 CA GLN A 65 -0.950 6.685 7.511 1.00 0.32 C ATOM 1027 C GLN A 65 -1.824 7.142 6.328 1.00 0.31 C ATOM 1028 O GLN A 65 -2.897 7.691 6.511 1.00 0.45 O ATOM 1029 CB GLN A 65 -1.297 7.492 8.771 1.00 0.39 C ATOM 1030 CG GLN A 65 -1.711 6.536 9.895 1.00 0.50 C ATOM 1031 CD GLN A 65 -0.470 6.090 10.674 1.00 0.59 C ATOM 1032 OE1 GLN A 65 -0.084 6.724 11.636 1.00 0.77 O ATOM 1033 NE2 GLN A 65 0.176 5.019 10.299 1.00 0.83 N ATOM 0 H GLN A 65 1.049 6.008 7.197 1.00 0.31 H new ATOM 0 HA GLN A 65 -1.146 5.629 7.694 1.00 0.32 H new ATOM 0 HB2 GLN A 65 -0.438 8.086 9.083 1.00 0.39 H new ATOM 0 HB3 GLN A 65 -2.106 8.190 8.557 1.00 0.39 H new ATOM 0 HG2 GLN A 65 -2.415 7.030 10.565 1.00 0.50 H new ATOM 0 HG3 GLN A 65 -2.222 5.668 9.478 1.00 0.50 H new ATOM 0 HE21 GLN A 65 -0.146 4.485 9.492 1.00 0.83 H new ATOM 0 HE22 GLN A 65 1.003 4.716 10.813 1.00 0.83 H new ATOM 1042 N THR A 66 -1.377 6.905 5.113 1.00 0.27 N ATOM 1043 CA THR A 66 -2.182 7.308 3.918 1.00 0.29 C ATOM 1044 C THR A 66 -3.071 6.132 3.485 1.00 0.26 C ATOM 1045 O THR A 66 -2.724 4.977 3.676 1.00 0.31 O ATOM 1046 CB THR A 66 -1.240 7.724 2.775 1.00 0.34 C ATOM 1047 OG1 THR A 66 -1.990 8.376 1.759 1.00 0.48 O ATOM 1048 CG2 THR A 66 -0.543 6.497 2.182 1.00 0.37 C ATOM 0 H THR A 66 -0.489 6.450 4.901 1.00 0.27 H new ATOM 0 HA THR A 66 -2.817 8.157 4.169 1.00 0.29 H new ATOM 0 HB THR A 66 -0.484 8.401 3.172 1.00 0.34 H new ATOM 0 HG1 THR A 66 -1.480 9.138 1.414 1.00 0.48 H new ATOM 0 HG21 THR A 66 0.119 6.810 1.375 1.00 0.37 H new ATOM 0 HG22 THR A 66 0.039 5.999 2.957 1.00 0.37 H new ATOM 0 HG23 THR A 66 -1.291 5.807 1.791 1.00 0.37 H new ATOM 1056 N ASN A 67 -4.217 6.419 2.911 1.00 0.26 N ATOM 1057 CA ASN A 67 -5.140 5.325 2.475 1.00 0.27 C ATOM 1058 C ASN A 67 -4.971 5.061 0.974 1.00 0.26 C ATOM 1059 O ASN A 67 -4.820 5.974 0.182 1.00 0.38 O ATOM 1060 CB ASN A 67 -6.590 5.733 2.762 1.00 0.40 C ATOM 1061 CG ASN A 67 -7.388 4.505 3.209 1.00 0.78 C ATOM 1062 OD1 ASN A 67 -7.983 3.825 2.398 1.00 1.13 O ATOM 1063 ND2 ASN A 67 -7.426 4.189 4.477 1.00 1.19 N ATOM 0 H ASN A 67 -4.552 7.365 2.726 1.00 0.26 H new ATOM 0 HA ASN A 67 -4.899 4.416 3.026 1.00 0.27 H new ATOM 0 HB2 ASN A 67 -6.617 6.499 3.537 1.00 0.40 H new ATOM 0 HB3 ASN A 67 -7.040 6.167 1.869 1.00 0.40 H new ATOM 0 HD21 ASN A 67 -7.955 3.372 4.783 1.00 1.19 H new ATOM 0 HD22 ASN A 67 -6.927 4.759 5.160 1.00 1.19 H new ATOM 1070 N LEU A 68 -5.000 3.807 0.589 1.00 0.25 N ATOM 1071 CA LEU A 68 -4.846 3.443 -0.852 1.00 0.31 C ATOM 1072 C LEU A 68 -5.833 2.319 -1.207 1.00 0.31 C ATOM 1073 O LEU A 68 -6.541 1.810 -0.356 1.00 0.31 O ATOM 1074 CB LEU A 68 -3.408 2.966 -1.099 1.00 0.37 C ATOM 1075 CG LEU A 68 -2.579 4.109 -1.691 1.00 0.40 C ATOM 1076 CD1 LEU A 68 -1.138 4.016 -1.183 1.00 0.57 C ATOM 1077 CD2 LEU A 68 -2.584 4.005 -3.216 1.00 0.58 C ATOM 0 H LEU A 68 -5.125 3.015 1.219 1.00 0.25 H new ATOM 0 HA LEU A 68 -5.055 4.312 -1.476 1.00 0.31 H new ATOM 0 HB2 LEU A 68 -2.962 2.627 -0.164 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -3.409 2.114 -1.779 1.00 0.37 H new ATOM 0 HG LEU A 68 -3.011 5.062 -1.387 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -0.550 4.831 -1.606 1.00 0.57 H new ATOM 0 HD12 LEU A 68 -1.130 4.089 -0.095 1.00 0.57 H new ATOM 0 HD13 LEU A 68 -0.706 3.062 -1.486 1.00 0.57 H new ATOM 0 HD21 LEU A 68 -1.994 4.819 -3.638 1.00 0.58 H new ATOM 0 HD22 LEU A 68 -2.153 3.050 -3.517 1.00 0.58 H new ATOM 0 HD23 LEU A 68 -3.609 4.072 -3.582 1.00 0.58 H new ATOM 1089 N GLU A 69 -5.883 1.931 -2.460 1.00 0.37 N ATOM 1090 CA GLU A 69 -6.818 0.841 -2.882 1.00 0.40 C ATOM 1091 C GLU A 69 -6.009 -0.385 -3.323 1.00 0.38 C ATOM 1092 O GLU A 69 -4.923 -0.259 -3.863 1.00 0.44 O ATOM 1093 CB GLU A 69 -7.683 1.328 -4.049 1.00 0.45 C ATOM 1094 CG GLU A 69 -8.694 2.367 -3.548 1.00 0.53 C ATOM 1095 CD GLU A 69 -8.249 3.771 -3.977 1.00 0.72 C ATOM 1096 OE1 GLU A 69 -8.530 4.143 -5.106 1.00 0.97 O ATOM 1097 OE2 GLU A 69 -7.635 4.450 -3.170 1.00 0.94 O ATOM 0 H GLU A 69 -5.314 2.324 -3.210 1.00 0.37 H new ATOM 0 HA GLU A 69 -7.460 0.571 -2.043 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -7.053 1.765 -4.824 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -8.207 0.486 -4.502 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -9.683 2.150 -3.951 1.00 0.53 H new ATOM 0 HG3 GLU A 69 -8.774 2.316 -2.462 1.00 0.53 H new ATOM 1104 N LEU A 70 -6.532 -1.567 -3.098 1.00 0.36 N ATOM 1105 CA LEU A 70 -5.802 -2.811 -3.500 1.00 0.36 C ATOM 1106 C LEU A 70 -6.775 -3.785 -4.174 1.00 0.34 C ATOM 1107 O LEU A 70 -7.846 -4.060 -3.667 1.00 0.43 O ATOM 1108 CB LEU A 70 -5.186 -3.466 -2.256 1.00 0.42 C ATOM 1109 CG LEU A 70 -4.489 -4.778 -2.641 1.00 0.38 C ATOM 1110 CD1 LEU A 70 -3.382 -4.498 -3.662 1.00 0.45 C ATOM 1111 CD2 LEU A 70 -3.875 -5.414 -1.390 1.00 0.45 C ATOM 0 H LEU A 70 -7.436 -1.724 -2.652 1.00 0.36 H new ATOM 0 HA LEU A 70 -5.009 -2.557 -4.203 1.00 0.36 H new ATOM 0 HB2 LEU A 70 -4.470 -2.786 -1.795 1.00 0.42 H new ATOM 0 HB3 LEU A 70 -5.962 -3.661 -1.516 1.00 0.42 H new ATOM 0 HG LEU A 70 -5.220 -5.458 -3.079 1.00 0.38 H new ATOM 0 HD11 LEU A 70 -2.891 -5.433 -3.932 1.00 0.45 H new ATOM 0 HD12 LEU A 70 -3.816 -4.046 -4.554 1.00 0.45 H new ATOM 0 HD13 LEU A 70 -2.651 -3.816 -3.228 1.00 0.45 H new ATOM 0 HD21 LEU A 70 -3.379 -6.346 -1.662 1.00 0.45 H new ATOM 0 HD22 LEU A 70 -3.147 -4.730 -0.954 1.00 0.45 H new ATOM 0 HD23 LEU A 70 -4.661 -5.619 -0.663 1.00 0.45 H new ATOM 1123 N TYR A 71 -6.400 -4.310 -5.315 1.00 0.33 N ATOM 1124 CA TYR A 71 -7.283 -5.273 -6.040 1.00 0.35 C ATOM 1125 C TYR A 71 -6.432 -6.432 -6.572 1.00 0.37 C ATOM 1126 O TYR A 71 -5.289 -6.249 -6.951 1.00 0.44 O ATOM 1127 CB TYR A 71 -7.974 -4.558 -7.206 1.00 0.37 C ATOM 1128 CG TYR A 71 -8.900 -3.489 -6.669 1.00 0.43 C ATOM 1129 CD1 TYR A 71 -10.139 -3.846 -6.125 1.00 0.73 C ATOM 1130 CD2 TYR A 71 -8.516 -2.144 -6.715 1.00 0.57 C ATOM 1131 CE1 TYR A 71 -10.993 -2.857 -5.625 1.00 0.95 C ATOM 1132 CE2 TYR A 71 -9.370 -1.155 -6.214 1.00 0.78 C ATOM 1133 CZ TYR A 71 -10.609 -1.512 -5.671 1.00 0.92 C ATOM 1134 OH TYR A 71 -11.451 -0.537 -5.177 1.00 1.20 O ATOM 0 H TYR A 71 -5.513 -4.110 -5.778 1.00 0.33 H new ATOM 0 HA TYR A 71 -8.042 -5.661 -5.360 1.00 0.35 H new ATOM 0 HB2 TYR A 71 -7.229 -4.111 -7.864 1.00 0.37 H new ATOM 0 HB3 TYR A 71 -8.538 -5.275 -7.803 1.00 0.37 H new ATOM 0 HD1 TYR A 71 -10.436 -4.884 -6.091 1.00 0.73 H new ATOM 0 HD2 TYR A 71 -7.561 -1.869 -7.137 1.00 0.57 H new ATOM 0 HE1 TYR A 71 -11.949 -3.132 -5.203 1.00 0.95 H new ATOM 0 HE2 TYR A 71 -9.073 -0.117 -6.246 1.00 0.78 H new ATOM 0 HH TYR A 71 -11.032 0.342 -5.285 1.00 1.20 H new ATOM 1144 N TYR A 72 -6.980 -7.624 -6.595 1.00 0.41 N ATOM 1145 CA TYR A 72 -6.202 -8.801 -7.091 1.00 0.45 C ATOM 1146 C TYR A 72 -6.570 -9.081 -8.552 1.00 0.42 C ATOM 1147 O TYR A 72 -7.731 -9.241 -8.886 1.00 0.62 O ATOM 1148 CB TYR A 72 -6.527 -10.033 -6.231 1.00 0.59 C ATOM 1149 CG TYR A 72 -5.945 -9.884 -4.834 1.00 0.56 C ATOM 1150 CD1 TYR A 72 -5.182 -8.755 -4.489 1.00 1.04 C ATOM 1151 CD2 TYR A 72 -6.173 -10.887 -3.881 1.00 1.01 C ATOM 1152 CE1 TYR A 72 -4.655 -8.632 -3.200 1.00 0.99 C ATOM 1153 CE2 TYR A 72 -5.644 -10.762 -2.590 1.00 1.21 C ATOM 1154 CZ TYR A 72 -4.885 -9.636 -2.250 1.00 0.83 C ATOM 1155 OH TYR A 72 -4.360 -9.514 -0.979 1.00 1.03 O ATOM 0 H TYR A 72 -7.932 -7.831 -6.292 1.00 0.41 H new ATOM 0 HA TYR A 72 -5.136 -8.585 -7.023 1.00 0.45 H new ATOM 0 HB2 TYR A 72 -7.607 -10.164 -6.168 1.00 0.59 H new ATOM 0 HB3 TYR A 72 -6.125 -10.929 -6.704 1.00 0.59 H new ATOM 0 HD1 TYR A 72 -5.003 -7.981 -5.221 1.00 1.04 H new ATOM 0 HD2 TYR A 72 -6.757 -11.757 -4.143 1.00 1.01 H new ATOM 0 HE1 TYR A 72 -4.070 -7.763 -2.936 1.00 0.99 H new ATOM 0 HE2 TYR A 72 -5.822 -11.535 -1.857 1.00 1.21 H new ATOM 0 HH TYR A 72 -4.613 -10.295 -0.444 1.00 1.03 H new ATOM 1165 N LEU A 73 -5.576 -9.132 -9.415 1.00 0.54 N ATOM 1166 CA LEU A 73 -5.812 -9.395 -10.874 1.00 0.59 C ATOM 1167 C LEU A 73 -6.412 -8.145 -11.547 1.00 0.87 C ATOM 1168 O LEU A 73 -7.515 -7.759 -11.189 1.00 1.03 O ATOM 1169 CB LEU A 73 -6.752 -10.597 -11.056 1.00 0.52 C ATOM 1170 CG LEU A 73 -6.421 -11.312 -12.370 1.00 0.74 C ATOM 1171 CD1 LEU A 73 -6.471 -12.827 -12.157 1.00 0.98 C ATOM 1172 CD2 LEU A 73 -7.442 -10.911 -13.440 1.00 0.92 C ATOM 1173 OXT LEU A 73 -5.750 -7.596 -12.412 1.00 1.22 O ATOM 0 H LEU A 73 -4.596 -9.000 -9.164 1.00 0.54 H new ATOM 0 HA LEU A 73 -4.857 -9.626 -11.346 1.00 0.59 H new ATOM 0 HB2 LEU A 73 -6.645 -11.286 -10.218 1.00 0.52 H new ATOM 0 HB3 LEU A 73 -7.789 -10.263 -11.063 1.00 0.52 H new ATOM 0 HG LEU A 73 -5.421 -11.026 -12.696 1.00 0.74 H new ATOM 0 HD11 LEU A 73 -6.235 -13.334 -13.093 1.00 0.98 H new ATOM 0 HD12 LEU A 73 -5.744 -13.112 -11.397 1.00 0.98 H new ATOM 0 HD13 LEU A 73 -7.470 -13.116 -11.830 1.00 0.98 H new ATOM 0 HD21 LEU A 73 -7.207 -11.419 -14.375 1.00 0.92 H new ATOM 0 HD22 LEU A 73 -8.442 -11.196 -13.113 1.00 0.92 H new ATOM 0 HD23 LEU A 73 -7.404 -9.833 -13.593 1.00 0.92 H new