USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 683 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 68 LYS NZ :NH3+ -122:sc= 1.76 (180deg=0.252) USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0.072 USER MOD Set 2.1: A 41 ASN : amide:sc= -0.0092 K(o=-0.023,f=-0.67) USER MOD Set 2.2: A 43 MET CE :methyl -126:sc= -0.0137 (180deg=0) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 178:sc= 0.454 (180deg=0.453) USER MOD Set 3.2: A 77 SER OG : rot 180:sc= -0.0453 USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= 1.31 (180deg=0.957) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.203 USER MOD Single : A 15 MET CE :methyl 136:sc= -0.475 (180deg=-1.9) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.00641 X(o=0.0064,f=-0.05) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.82! C(o=-3.8!,f=-8.5!) USER MOD Single : A 47 LYS NZ :NH3+ 175:sc=-0.00106 (180deg=-0.0533) USER MOD Single : A 49 MET CE :methyl -154:sc= -2.56! (180deg=-3.59) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.793 USER MOD Single : A 56 MET CE :methyl -165:sc= -2.39 (180deg=-2.74!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.876 K(o=-0.88,f=-2.9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0.00355 (180deg=-0.0325) USER MOD Single : A 74 ASN : amide:sc= 0.059 X(o=0.059,f=0) USER MOD Single : A 79 THR OG1 : rot -103:sc= 1.23 USER MOD Single : A 82 GLN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -1.096 11.937 -4.227 1.00 41.21 N ATOM 40 CA GLU A 4 -1.353 11.155 -5.458 1.00 53.31 C ATOM 41 C GLU A 4 -0.054 10.667 -6.132 1.00 71.33 C ATOM 42 O GLU A 4 -0.044 9.614 -6.786 1.00 40.22 O ATOM 43 CB GLU A 4 -2.225 11.971 -6.441 1.00 10.31 C ATOM 44 CG GLU A 4 -3.610 12.379 -5.862 1.00 14.14 C ATOM 45 CD GLU A 4 -4.797 12.046 -6.775 1.00 72.14 C ATOM 46 OE1 GLU A 4 -5.328 10.918 -6.690 1.00 32.32 O ATOM 47 OE2 GLU A 4 -5.196 12.902 -7.588 1.00 4.31 O ATOM 0 HA GLU A 4 -1.901 10.259 -5.166 1.00 53.31 H new ATOM 0 HB2 GLU A 4 -1.683 12.871 -6.731 1.00 10.31 H new ATOM 0 HB3 GLU A 4 -2.379 11.386 -7.348 1.00 10.31 H new ATOM 0 HG2 GLU A 4 -3.752 11.879 -4.904 1.00 14.14 H new ATOM 0 HG3 GLU A 4 -3.607 13.451 -5.665 1.00 14.14 H new ATOM 54 N GLU A 5 1.034 11.430 -5.939 1.00 31.35 N ATOM 55 CA GLU A 5 2.366 11.054 -6.427 1.00 61.45 C ATOM 56 C GLU A 5 2.868 9.806 -5.697 1.00 33.23 C ATOM 57 O GLU A 5 3.309 8.864 -6.338 1.00 51.24 O ATOM 58 CB GLU A 5 3.354 12.221 -6.251 1.00 72.32 C ATOM 59 CG GLU A 5 2.963 13.506 -7.006 1.00 13.02 C ATOM 60 CD GLU A 5 2.870 13.336 -8.533 1.00 61.34 C ATOM 61 OE1 GLU A 5 3.896 13.523 -9.221 1.00 62.04 O ATOM 62 OE2 GLU A 5 1.781 13.017 -9.055 1.00 63.24 O ATOM 0 H GLU A 5 1.013 12.321 -5.442 1.00 31.35 H new ATOM 0 HA GLU A 5 2.294 10.825 -7.490 1.00 61.45 H new ATOM 0 HB2 GLU A 5 3.441 12.450 -5.189 1.00 72.32 H new ATOM 0 HB3 GLU A 5 4.339 11.901 -6.590 1.00 72.32 H new ATOM 0 HG2 GLU A 5 2.001 13.856 -6.631 1.00 13.02 H new ATOM 0 HG3 GLU A 5 3.694 14.283 -6.782 1.00 13.02 H new ATOM 69 N VAL A 6 2.750 9.780 -4.353 1.00 42.23 N ATOM 70 CA VAL A 6 3.236 8.633 -3.549 1.00 1.54 C ATOM 71 C VAL A 6 2.251 7.456 -3.603 1.00 3.32 C ATOM 72 O VAL A 6 2.667 6.316 -3.420 1.00 31.52 O ATOM 73 CB VAL A 6 3.540 9.013 -2.055 1.00 12.23 C ATOM 74 CG1 VAL A 6 4.616 10.121 -1.973 1.00 15.24 C ATOM 75 CG2 VAL A 6 2.258 9.418 -1.292 1.00 21.33 C ATOM 0 H VAL A 6 2.328 10.529 -3.805 1.00 42.23 H new ATOM 0 HA VAL A 6 4.179 8.330 -4.003 1.00 1.54 H new ATOM 0 HB VAL A 6 3.935 8.123 -1.566 1.00 12.23 H new ATOM 0 HG11 VAL A 6 4.808 10.365 -0.928 1.00 15.24 H new ATOM 0 HG12 VAL A 6 5.537 9.769 -2.438 1.00 15.24 H new ATOM 0 HG13 VAL A 6 4.263 11.010 -2.495 1.00 15.24 H new ATOM 0 HG21 VAL A 6 2.512 9.673 -0.263 1.00 21.33 H new ATOM 0 HG22 VAL A 6 1.803 10.281 -1.778 1.00 21.33 H new ATOM 0 HG23 VAL A 6 1.554 8.586 -1.296 1.00 21.33 H new ATOM 85 N LYS A 7 0.957 7.751 -3.870 1.00 72.34 N ATOM 86 CA LYS A 7 -0.084 6.717 -3.994 1.00 72.23 C ATOM 87 C LYS A 7 0.186 5.829 -5.207 1.00 45.10 C ATOM 88 O LYS A 7 0.126 4.594 -5.106 1.00 60.31 O ATOM 89 CB LYS A 7 -1.513 7.313 -4.096 1.00 14.30 C ATOM 90 CG LYS A 7 -2.112 7.861 -2.786 1.00 33.51 C ATOM 91 CD LYS A 7 -3.634 8.120 -2.915 1.00 12.12 C ATOM 92 CE LYS A 7 -4.021 8.977 -4.130 1.00 43.55 C ATOM 93 NZ LYS A 7 -5.491 9.191 -4.222 1.00 62.23 N ATOM 0 H LYS A 7 0.613 8.702 -4.003 1.00 72.34 H new ATOM 0 HA LYS A 7 -0.040 6.123 -3.081 1.00 72.23 H new ATOM 0 HB2 LYS A 7 -1.498 8.119 -4.830 1.00 14.30 H new ATOM 0 HB3 LYS A 7 -2.180 6.542 -4.483 1.00 14.30 H new ATOM 0 HG2 LYS A 7 -1.931 7.152 -1.979 1.00 33.51 H new ATOM 0 HG3 LYS A 7 -1.607 8.788 -2.515 1.00 33.51 H new ATOM 0 HD2 LYS A 7 -4.151 7.163 -2.979 1.00 12.12 H new ATOM 0 HD3 LYS A 7 -3.986 8.613 -2.009 1.00 12.12 H new ATOM 0 HE2 LYS A 7 -3.518 9.942 -4.067 1.00 43.55 H new ATOM 0 HE3 LYS A 7 -3.668 8.493 -5.041 1.00 43.55 H new ATOM 0 HZ1 LYS A 7 -5.703 9.802 -5.037 1.00 62.23 H new ATOM 0 HZ2 LYS A 7 -5.968 8.275 -4.343 1.00 62.23 H new ATOM 0 HZ3 LYS A 7 -5.831 9.646 -3.351 1.00 62.23 H new ATOM 107 N GLU A 8 0.458 6.453 -6.368 1.00 55.41 N ATOM 108 CA GLU A 8 0.811 5.688 -7.563 1.00 5.32 C ATOM 109 C GLU A 8 2.132 4.941 -7.320 1.00 0.30 C ATOM 110 O GLU A 8 2.285 3.823 -7.773 1.00 62.41 O ATOM 111 CB GLU A 8 0.897 6.550 -8.849 1.00 60.15 C ATOM 112 CG GLU A 8 2.106 7.502 -8.946 1.00 72.40 C ATOM 113 CD GLU A 8 2.424 7.912 -10.394 1.00 75.33 C ATOM 114 OE1 GLU A 8 2.954 7.070 -11.151 1.00 23.31 O ATOM 115 OE2 GLU A 8 2.101 9.034 -10.800 1.00 74.43 O ATOM 0 H GLU A 8 0.439 7.465 -6.497 1.00 55.41 H new ATOM 0 HA GLU A 8 0.004 4.977 -7.738 1.00 5.32 H new ATOM 0 HB2 GLU A 8 0.916 5.882 -9.710 1.00 60.15 H new ATOM 0 HB3 GLU A 8 -0.014 7.143 -8.926 1.00 60.15 H new ATOM 0 HG2 GLU A 8 1.908 8.396 -8.355 1.00 72.40 H new ATOM 0 HG3 GLU A 8 2.980 7.019 -8.509 1.00 72.40 H new ATOM 122 N LYS A 9 3.070 5.555 -6.553 1.00 63.31 N ATOM 123 CA LYS A 9 4.356 4.914 -6.219 1.00 31.31 C ATOM 124 C LYS A 9 4.170 3.685 -5.321 1.00 44.14 C ATOM 125 O LYS A 9 5.041 2.833 -5.302 1.00 12.42 O ATOM 126 CB LYS A 9 5.361 5.876 -5.552 1.00 73.21 C ATOM 127 CG LYS A 9 5.835 7.059 -6.419 1.00 72.32 C ATOM 128 CD LYS A 9 7.139 7.696 -5.890 1.00 70.33 C ATOM 129 CE LYS A 9 7.129 8.004 -4.384 1.00 41.34 C ATOM 130 NZ LYS A 9 8.445 8.533 -3.951 1.00 52.34 N ATOM 0 H LYS A 9 2.955 6.489 -6.159 1.00 63.31 H new ATOM 0 HA LYS A 9 4.770 4.603 -7.178 1.00 31.31 H new ATOM 0 HB2 LYS A 9 4.906 6.274 -4.645 1.00 73.21 H new ATOM 0 HB3 LYS A 9 6.235 5.302 -5.245 1.00 73.21 H new ATOM 0 HG2 LYS A 9 5.991 6.716 -7.442 1.00 72.32 H new ATOM 0 HG3 LYS A 9 5.052 7.817 -6.453 1.00 72.32 H new ATOM 0 HD2 LYS A 9 7.970 7.025 -6.106 1.00 70.33 H new ATOM 0 HD3 LYS A 9 7.325 8.621 -6.436 1.00 70.33 H new ATOM 0 HE2 LYS A 9 6.348 8.731 -4.161 1.00 41.34 H new ATOM 0 HE3 LYS A 9 6.892 7.099 -3.824 1.00 41.34 H new ATOM 0 HZ1 LYS A 9 8.624 8.254 -2.965 1.00 52.34 H new ATOM 0 HZ2 LYS A 9 9.193 8.146 -4.562 1.00 52.34 H new ATOM 0 HZ3 LYS A 9 8.443 9.571 -4.022 1.00 52.34 H new ATOM 144 N ILE A 10 3.053 3.610 -4.561 1.00 41.15 N ATOM 145 CA ILE A 10 2.683 2.373 -3.834 1.00 4.44 C ATOM 146 C ILE A 10 2.488 1.248 -4.862 1.00 42.12 C ATOM 147 O ILE A 10 3.019 0.150 -4.707 1.00 22.42 O ATOM 148 CB ILE A 10 1.362 2.535 -2.985 1.00 75.51 C ATOM 149 CG1 ILE A 10 1.429 3.770 -2.031 1.00 63.40 C ATOM 150 CG2 ILE A 10 1.016 1.249 -2.195 1.00 43.41 C ATOM 151 CD1 ILE A 10 2.613 3.801 -1.076 1.00 33.21 C ATOM 0 H ILE A 10 2.399 4.382 -4.436 1.00 41.15 H new ATOM 0 HA ILE A 10 3.486 2.142 -3.134 1.00 4.44 H new ATOM 0 HB ILE A 10 0.558 2.710 -3.700 1.00 75.51 H new ATOM 0 HG12 ILE A 10 1.452 4.675 -2.639 1.00 63.40 H new ATOM 0 HG13 ILE A 10 0.511 3.803 -1.444 1.00 63.40 H new ATOM 0 HG21 ILE A 10 0.100 1.407 -1.626 1.00 43.41 H new ATOM 0 HG22 ILE A 10 0.873 0.422 -2.891 1.00 43.41 H new ATOM 0 HG23 ILE A 10 1.831 1.011 -1.512 1.00 43.41 H new ATOM 0 HD11 ILE A 10 2.561 4.700 -0.461 1.00 33.21 H new ATOM 0 HD12 ILE A 10 2.586 2.920 -0.434 1.00 33.21 H new ATOM 0 HD13 ILE A 10 3.541 3.805 -1.647 1.00 33.21 H new ATOM 163 N ARG A 11 1.777 1.586 -5.951 1.00 33.31 N ATOM 164 CA ARG A 11 1.439 0.630 -7.018 1.00 4.12 C ATOM 165 C ARG A 11 2.689 0.238 -7.826 1.00 43.01 C ATOM 166 O ARG A 11 2.958 -0.950 -8.025 1.00 62.02 O ATOM 167 CB ARG A 11 0.343 1.195 -7.970 1.00 33.45 C ATOM 168 CG ARG A 11 -0.940 1.766 -7.309 1.00 3.10 C ATOM 169 CD ARG A 11 -1.424 1.001 -6.059 1.00 13.42 C ATOM 170 NE ARG A 11 -1.340 -0.464 -6.186 1.00 64.23 N ATOM 171 CZ ARG A 11 -1.090 -1.305 -5.173 1.00 74.25 C ATOM 172 NH1 ARG A 11 -0.946 -0.860 -3.930 1.00 64.34 N ATOM 173 NH2 ARG A 11 -0.871 -2.587 -5.429 1.00 64.25 N ATOM 0 H ARG A 11 1.421 2.528 -6.116 1.00 33.31 H new ATOM 0 HA ARG A 11 1.041 -0.262 -6.534 1.00 4.12 H new ATOM 0 HB2 ARG A 11 0.793 1.984 -8.573 1.00 33.45 H new ATOM 0 HB3 ARG A 11 0.046 0.400 -8.654 1.00 33.45 H new ATOM 0 HG2 ARG A 11 -0.757 2.805 -7.033 1.00 3.10 H new ATOM 0 HG3 ARG A 11 -1.741 1.769 -8.048 1.00 3.10 H new ATOM 0 HD2 ARG A 11 -0.831 1.316 -5.200 1.00 13.42 H new ATOM 0 HD3 ARG A 11 -2.457 1.279 -5.852 1.00 13.42 H new ATOM 0 HE ARG A 11 -1.482 -0.868 -7.112 1.00 64.23 H new ATOM 0 HH11 ARG A 11 -1.025 0.138 -3.733 1.00 64.34 H new ATOM 0 HH12 ARG A 11 -0.756 -1.516 -3.172 1.00 64.34 H new ATOM 0 HH21 ARG A 11 -0.894 -2.926 -6.391 1.00 64.25 H new ATOM 0 HH22 ARG A 11 -0.680 -3.234 -4.664 1.00 64.25 H new ATOM 187 N ARG A 12 3.451 1.265 -8.246 1.00 34.33 N ATOM 188 CA ARG A 12 4.681 1.123 -9.061 1.00 43.33 C ATOM 189 C ARG A 12 5.740 0.296 -8.307 1.00 3.51 C ATOM 190 O ARG A 12 6.421 -0.525 -8.901 1.00 11.33 O ATOM 191 CB ARG A 12 5.262 2.529 -9.434 1.00 0.02 C ATOM 192 CG ARG A 12 4.681 3.191 -10.716 1.00 42.14 C ATOM 193 CD ARG A 12 3.155 3.358 -10.703 1.00 43.32 C ATOM 194 NE ARG A 12 2.656 4.182 -11.824 1.00 45.44 N ATOM 195 CZ ARG A 12 1.888 3.747 -12.823 1.00 71.43 C ATOM 196 NH1 ARG A 12 1.511 2.494 -12.889 1.00 34.21 N ATOM 197 NH2 ARG A 12 1.466 4.606 -13.737 1.00 51.43 N ATOM 0 H ARG A 12 3.229 2.236 -8.027 1.00 34.33 H new ATOM 0 HA ARG A 12 4.419 0.599 -9.980 1.00 43.33 H new ATOM 0 HB2 ARG A 12 5.095 3.203 -8.594 1.00 0.02 H new ATOM 0 HB3 ARG A 12 6.341 2.433 -9.556 1.00 0.02 H new ATOM 0 HG2 ARG A 12 5.141 4.171 -10.846 1.00 42.14 H new ATOM 0 HG3 ARG A 12 4.962 2.590 -11.581 1.00 42.14 H new ATOM 0 HD2 ARG A 12 2.687 2.375 -10.745 1.00 43.32 H new ATOM 0 HD3 ARG A 12 2.853 3.815 -9.761 1.00 43.32 H new ATOM 0 HE ARG A 12 2.922 5.167 -11.834 1.00 45.44 H new ATOM 0 HH11 ARG A 12 1.805 1.834 -12.169 1.00 34.21 H new ATOM 0 HH12 ARG A 12 0.923 2.178 -13.661 1.00 34.21 H new ATOM 0 HH21 ARG A 12 1.729 5.589 -13.673 1.00 51.43 H new ATOM 0 HH22 ARG A 12 0.878 4.285 -14.506 1.00 51.43 H new ATOM 211 N TYR A 13 5.837 0.534 -6.994 1.00 40.00 N ATOM 212 CA TYR A 13 6.775 -0.179 -6.103 1.00 21.42 C ATOM 213 C TYR A 13 6.433 -1.680 -6.038 1.00 73.11 C ATOM 214 O TYR A 13 7.308 -2.524 -6.210 1.00 61.42 O ATOM 215 CB TYR A 13 6.754 0.462 -4.693 1.00 13.21 C ATOM 216 CG TYR A 13 7.578 -0.288 -3.635 1.00 62.25 C ATOM 217 CD1 TYR A 13 8.967 -0.426 -3.766 1.00 11.23 C ATOM 218 CD2 TYR A 13 6.968 -0.860 -2.520 1.00 35.21 C ATOM 219 CE1 TYR A 13 9.704 -1.110 -2.822 1.00 31.01 C ATOM 220 CE2 TYR A 13 7.707 -1.534 -1.579 1.00 23.41 C ATOM 221 CZ TYR A 13 9.073 -1.658 -1.733 1.00 63.50 C ATOM 222 OH TYR A 13 9.810 -2.348 -0.804 1.00 53.24 O ATOM 0 H TYR A 13 5.267 1.229 -6.512 1.00 40.00 H new ATOM 0 HA TYR A 13 7.783 -0.089 -6.508 1.00 21.42 H new ATOM 0 HB2 TYR A 13 7.127 1.483 -4.767 1.00 13.21 H new ATOM 0 HB3 TYR A 13 5.721 0.524 -4.352 1.00 13.21 H new ATOM 0 HD1 TYR A 13 9.467 0.010 -4.618 1.00 11.23 H new ATOM 0 HD2 TYR A 13 5.899 -0.772 -2.394 1.00 35.21 H new ATOM 0 HE1 TYR A 13 10.773 -1.214 -2.939 1.00 31.01 H new ATOM 0 HE2 TYR A 13 7.219 -1.967 -0.718 1.00 23.41 H new ATOM 0 HH TYR A 13 9.598 -2.017 0.094 1.00 53.24 H new ATOM 232 N ILE A 14 5.148 -1.985 -5.804 1.00 71.14 N ATOM 233 CA ILE A 14 4.654 -3.370 -5.721 1.00 23.40 C ATOM 234 C ILE A 14 4.904 -4.117 -7.049 1.00 23.31 C ATOM 235 O ILE A 14 5.407 -5.228 -7.048 1.00 10.51 O ATOM 236 CB ILE A 14 3.138 -3.387 -5.281 1.00 42.04 C ATOM 237 CG1 ILE A 14 3.025 -2.812 -3.829 1.00 62.32 C ATOM 238 CG2 ILE A 14 2.513 -4.805 -5.369 1.00 14.30 C ATOM 239 CD1 ILE A 14 1.628 -2.716 -3.271 1.00 52.14 C ATOM 0 H ILE A 14 4.422 -1.281 -5.667 1.00 71.14 H new ATOM 0 HA ILE A 14 5.211 -3.907 -4.953 1.00 23.40 H new ATOM 0 HB ILE A 14 2.572 -2.762 -5.972 1.00 42.04 H new ATOM 0 HG12 ILE A 14 3.620 -3.437 -3.163 1.00 62.32 H new ATOM 0 HG13 ILE A 14 3.471 -1.817 -3.816 1.00 62.32 H new ATOM 0 HG21 ILE A 14 1.470 -4.763 -5.056 1.00 14.30 H new ATOM 0 HG22 ILE A 14 2.569 -5.164 -6.397 1.00 14.30 H new ATOM 0 HG23 ILE A 14 3.060 -5.485 -4.716 1.00 14.30 H new ATOM 0 HD11 ILE A 14 1.667 -2.306 -2.262 1.00 52.14 H new ATOM 0 HD12 ILE A 14 1.027 -2.064 -3.905 1.00 52.14 H new ATOM 0 HD13 ILE A 14 1.179 -3.709 -3.242 1.00 52.14 H new ATOM 251 N MET A 15 4.631 -3.450 -8.160 1.00 21.23 N ATOM 252 CA MET A 15 4.865 -3.986 -9.513 1.00 64.44 C ATOM 253 C MET A 15 6.361 -4.287 -9.771 1.00 30.33 C ATOM 254 O MET A 15 6.717 -5.432 -10.020 1.00 13.43 O ATOM 255 CB MET A 15 4.332 -2.967 -10.556 1.00 30.41 C ATOM 256 CG MET A 15 2.808 -2.859 -10.662 1.00 41.33 C ATOM 257 SD MET A 15 2.066 -4.025 -11.838 1.00 23.20 S ATOM 258 CE MET A 15 1.943 -5.546 -10.907 1.00 21.03 C ATOM 0 H MET A 15 4.236 -2.510 -8.159 1.00 21.23 H new ATOM 0 HA MET A 15 4.332 -4.933 -9.604 1.00 64.44 H new ATOM 0 HB2 MET A 15 4.731 -1.983 -10.311 1.00 30.41 H new ATOM 0 HB3 MET A 15 4.727 -3.237 -11.535 1.00 30.41 H new ATOM 0 HG2 MET A 15 2.373 -3.026 -9.677 1.00 41.33 H new ATOM 0 HG3 MET A 15 2.546 -1.843 -10.958 1.00 41.33 H new ATOM 0 HE1 MET A 15 0.968 -6.002 -11.081 1.00 21.03 H new ATOM 0 HE2 MET A 15 2.727 -6.233 -11.227 1.00 21.03 H new ATOM 0 HE3 MET A 15 2.059 -5.333 -9.844 1.00 21.03 H new ATOM 268 N GLU A 16 7.219 -3.260 -9.682 1.00 4.31 N ATOM 269 CA GLU A 16 8.626 -3.357 -10.126 1.00 21.04 C ATOM 270 C GLU A 16 9.477 -4.216 -9.179 1.00 50.12 C ATOM 271 O GLU A 16 10.330 -4.992 -9.621 1.00 63.44 O ATOM 272 CB GLU A 16 9.247 -1.946 -10.276 1.00 5.23 C ATOM 273 CG GLU A 16 8.490 -0.995 -11.230 1.00 45.31 C ATOM 274 CD GLU A 16 8.072 -1.649 -12.561 1.00 64.42 C ATOM 275 OE1 GLU A 16 8.958 -1.958 -13.390 1.00 63.53 O ATOM 276 OE2 GLU A 16 6.858 -1.833 -12.797 1.00 43.40 O ATOM 0 H GLU A 16 6.966 -2.347 -9.305 1.00 4.31 H new ATOM 0 HA GLU A 16 8.622 -3.851 -11.097 1.00 21.04 H new ATOM 0 HB2 GLU A 16 9.299 -1.482 -9.291 1.00 5.23 H new ATOM 0 HB3 GLU A 16 10.272 -2.053 -10.632 1.00 5.23 H new ATOM 0 HG2 GLU A 16 7.599 -0.622 -10.724 1.00 45.31 H new ATOM 0 HG3 GLU A 16 9.121 -0.132 -11.443 1.00 45.31 H new ATOM 283 N ASP A 17 9.214 -4.083 -7.883 1.00 54.44 N ATOM 284 CA ASP A 17 10.017 -4.718 -6.827 1.00 42.32 C ATOM 285 C ASP A 17 9.403 -6.078 -6.434 1.00 30.45 C ATOM 286 O ASP A 17 10.030 -7.118 -6.621 1.00 65.10 O ATOM 287 CB ASP A 17 10.099 -3.747 -5.619 1.00 0.53 C ATOM 288 CG ASP A 17 11.032 -4.223 -4.499 1.00 34.44 C ATOM 289 OD1 ASP A 17 12.256 -4.093 -4.651 1.00 21.20 O ATOM 290 OD2 ASP A 17 10.559 -4.726 -3.459 1.00 14.44 O ATOM 0 H ASP A 17 8.435 -3.530 -7.527 1.00 54.44 H new ATOM 0 HA ASP A 17 11.027 -4.918 -7.184 1.00 42.32 H new ATOM 0 HB2 ASP A 17 10.438 -2.773 -5.971 1.00 0.53 H new ATOM 0 HB3 ASP A 17 9.098 -3.607 -5.210 1.00 0.53 H new ATOM 295 N LEU A 18 8.142 -6.043 -5.960 1.00 35.42 N ATOM 296 CA LEU A 18 7.469 -7.207 -5.323 1.00 71.55 C ATOM 297 C LEU A 18 7.078 -8.287 -6.371 1.00 4.32 C ATOM 298 O LEU A 18 7.289 -9.483 -6.141 1.00 65.53 O ATOM 299 CB LEU A 18 6.219 -6.746 -4.501 1.00 2.32 C ATOM 300 CG LEU A 18 6.471 -5.929 -3.177 1.00 34.13 C ATOM 301 CD1 LEU A 18 7.292 -4.644 -3.394 1.00 14.21 C ATOM 302 CD2 LEU A 18 5.136 -5.565 -2.504 1.00 10.40 C ATOM 0 H LEU A 18 7.556 -5.210 -6.005 1.00 35.42 H new ATOM 0 HA LEU A 18 8.181 -7.663 -4.635 1.00 71.55 H new ATOM 0 HB2 LEU A 18 5.593 -6.139 -5.155 1.00 2.32 H new ATOM 0 HB3 LEU A 18 5.642 -7.634 -4.242 1.00 2.32 H new ATOM 0 HG LEU A 18 7.057 -6.584 -2.533 1.00 34.13 H new ATOM 0 HD11 LEU A 18 7.427 -4.133 -2.441 1.00 14.21 H new ATOM 0 HD12 LEU A 18 8.267 -4.901 -3.809 1.00 14.21 H new ATOM 0 HD13 LEU A 18 6.765 -3.988 -4.086 1.00 14.21 H new ATOM 0 HD21 LEU A 18 5.330 -5.001 -1.592 1.00 10.40 H new ATOM 0 HD22 LEU A 18 4.539 -4.959 -3.185 1.00 10.40 H new ATOM 0 HD23 LEU A 18 4.592 -6.477 -2.258 1.00 10.40 H new ATOM 314 N ILE A 19 6.499 -7.857 -7.515 1.00 41.33 N ATOM 315 CA ILE A 19 6.154 -8.770 -8.639 1.00 1.52 C ATOM 316 C ILE A 19 7.450 -9.110 -9.406 1.00 61.03 C ATOM 317 O ILE A 19 7.855 -10.280 -9.509 1.00 2.32 O ATOM 318 CB ILE A 19 5.054 -8.153 -9.619 1.00 52.55 C ATOM 319 CG1 ILE A 19 3.607 -8.191 -9.013 1.00 62.14 C ATOM 320 CG2 ILE A 19 5.045 -8.855 -11.010 1.00 72.32 C ATOM 321 CD1 ILE A 19 3.370 -7.439 -7.727 1.00 74.32 C ATOM 0 H ILE A 19 6.259 -6.881 -7.688 1.00 41.33 H new ATOM 0 HA ILE A 19 5.710 -9.676 -8.226 1.00 1.52 H new ATOM 0 HB ILE A 19 5.344 -7.110 -9.749 1.00 52.55 H new ATOM 0 HG12 ILE A 19 2.918 -7.801 -9.762 1.00 62.14 H new ATOM 0 HG13 ILE A 19 3.339 -9.234 -8.847 1.00 62.14 H new ATOM 0 HG21 ILE A 19 4.281 -8.401 -11.642 1.00 72.32 H new ATOM 0 HG22 ILE A 19 6.021 -8.740 -11.482 1.00 72.32 H new ATOM 0 HG23 ILE A 19 4.827 -9.915 -10.881 1.00 72.32 H new ATOM 0 HD11 ILE A 19 2.329 -7.552 -7.426 1.00 74.32 H new ATOM 0 HD12 ILE A 19 4.019 -7.838 -6.947 1.00 74.32 H new ATOM 0 HD13 ILE A 19 3.591 -6.382 -7.877 1.00 74.32 H new ATOM 333 N GLY A 20 8.097 -8.062 -9.923 1.00 54.24 N ATOM 334 CA GLY A 20 9.310 -8.196 -10.736 1.00 35.13 C ATOM 335 C GLY A 20 9.383 -7.153 -11.846 1.00 33.15 C ATOM 336 O GLY A 20 8.458 -6.347 -11.997 1.00 12.33 O ATOM 0 H GLY A 20 7.795 -7.097 -9.790 1.00 54.24 H new ATOM 0 HA2 GLY A 20 10.186 -8.102 -10.095 1.00 35.13 H new ATOM 0 HA3 GLY A 20 9.342 -9.193 -11.175 1.00 35.13 H new ATOM 340 N PRO A 21 10.484 -7.157 -12.662 1.00 15.01 N ATOM 341 CA PRO A 21 10.697 -6.163 -13.750 1.00 71.12 C ATOM 342 C PRO A 21 9.632 -6.291 -14.867 1.00 2.22 C ATOM 343 O PRO A 21 9.220 -5.298 -15.480 1.00 22.42 O ATOM 344 CB PRO A 21 12.118 -6.512 -14.271 1.00 34.12 C ATOM 345 CG PRO A 21 12.304 -7.957 -13.931 1.00 61.33 C ATOM 346 CD PRO A 21 11.607 -8.136 -12.600 1.00 14.42 C ATOM 0 HA PRO A 21 10.608 -5.133 -13.405 1.00 71.12 H new ATOM 0 HB2 PRO A 21 12.198 -6.345 -15.345 1.00 34.12 H new ATOM 0 HB3 PRO A 21 12.878 -5.892 -13.794 1.00 34.12 H new ATOM 0 HG2 PRO A 21 11.869 -8.602 -14.695 1.00 61.33 H new ATOM 0 HG3 PRO A 21 13.361 -8.214 -13.861 1.00 61.33 H new ATOM 0 HD2 PRO A 21 11.244 -9.156 -12.471 1.00 14.42 H new ATOM 0 HD3 PRO A 21 12.276 -7.927 -11.765 1.00 14.42 H new ATOM 354 N SER A 22 9.191 -7.536 -15.108 1.00 33.20 N ATOM 355 CA SER A 22 8.140 -7.857 -16.073 1.00 12.41 C ATOM 356 C SER A 22 6.790 -7.855 -15.332 1.00 1.34 C ATOM 357 O SER A 22 6.094 -8.877 -15.245 1.00 25.33 O ATOM 358 CB SER A 22 8.459 -9.224 -16.724 1.00 14.53 C ATOM 359 OG SER A 22 9.794 -9.257 -17.210 1.00 23.12 O ATOM 0 H SER A 22 9.563 -8.356 -14.629 1.00 33.20 H new ATOM 0 HA SER A 22 8.086 -7.120 -16.874 1.00 12.41 H new ATOM 0 HB2 SER A 22 8.314 -10.021 -15.995 1.00 14.53 H new ATOM 0 HB3 SER A 22 7.765 -9.411 -17.543 1.00 14.53 H new ATOM 0 HG SER A 22 9.973 -10.131 -17.615 1.00 23.12 H new ATOM 365 N ALA A 23 6.456 -6.682 -14.767 1.00 2.33 N ATOM 366 CA ALA A 23 5.289 -6.498 -13.899 1.00 61.13 C ATOM 367 C ALA A 23 3.965 -6.682 -14.666 1.00 50.21 C ATOM 368 O ALA A 23 3.840 -6.277 -15.829 1.00 5.40 O ATOM 369 CB ALA A 23 5.357 -5.115 -13.254 1.00 72.20 C ATOM 0 H ALA A 23 6.997 -5.828 -14.904 1.00 2.33 H new ATOM 0 HA ALA A 23 5.311 -7.265 -13.124 1.00 61.13 H new ATOM 0 HB1 ALA A 23 4.491 -4.972 -12.607 1.00 72.20 H new ATOM 0 HB2 ALA A 23 6.269 -5.034 -12.663 1.00 72.20 H new ATOM 0 HB3 ALA A 23 5.359 -4.351 -14.031 1.00 72.20 H new ATOM 375 N LYS A 24 2.984 -7.302 -13.997 1.00 3.33 N ATOM 376 CA LYS A 24 1.629 -7.502 -14.540 1.00 11.14 C ATOM 377 C LYS A 24 0.762 -6.264 -14.246 1.00 41.25 C ATOM 378 O LYS A 24 -0.146 -6.290 -13.398 1.00 65.55 O ATOM 379 CB LYS A 24 0.988 -8.795 -13.961 1.00 14.33 C ATOM 380 CG LYS A 24 1.642 -10.114 -14.435 1.00 72.23 C ATOM 381 CD LYS A 24 1.463 -10.363 -15.960 1.00 2.13 C ATOM 382 CE LYS A 24 2.028 -11.728 -16.410 1.00 72.42 C ATOM 383 NZ LYS A 24 1.800 -11.980 -17.858 1.00 64.52 N ATOM 0 H LYS A 24 3.106 -7.682 -13.058 1.00 3.33 H new ATOM 0 HA LYS A 24 1.694 -7.628 -15.621 1.00 11.14 H new ATOM 0 HB2 LYS A 24 1.038 -8.752 -12.873 1.00 14.33 H new ATOM 0 HB3 LYS A 24 -0.068 -8.812 -14.231 1.00 14.33 H new ATOM 0 HG2 LYS A 24 2.706 -10.092 -14.198 1.00 72.23 H new ATOM 0 HG3 LYS A 24 1.209 -10.948 -13.882 1.00 72.23 H new ATOM 0 HD2 LYS A 24 0.403 -10.312 -16.211 1.00 2.13 H new ATOM 0 HD3 LYS A 24 1.960 -9.567 -16.515 1.00 2.13 H new ATOM 0 HE2 LYS A 24 3.097 -11.764 -16.201 1.00 72.42 H new ATOM 0 HE3 LYS A 24 1.562 -12.522 -15.827 1.00 72.42 H new ATOM 0 HZ1 LYS A 24 2.195 -12.907 -18.116 1.00 64.52 H new ATOM 0 HZ2 LYS A 24 0.779 -11.972 -18.055 1.00 64.52 H new ATOM 0 HZ3 LYS A 24 2.266 -11.237 -18.417 1.00 64.52 H new ATOM 397 N GLU A 25 1.109 -5.161 -14.933 1.00 24.51 N ATOM 398 CA GLU A 25 0.323 -3.895 -14.962 1.00 51.34 C ATOM 399 C GLU A 25 -1.146 -4.145 -15.378 1.00 42.33 C ATOM 400 O GLU A 25 -2.050 -3.405 -14.987 1.00 35.13 O ATOM 401 CB GLU A 25 0.999 -2.827 -15.909 1.00 2.14 C ATOM 402 CG GLU A 25 1.816 -3.383 -17.108 1.00 21.14 C ATOM 403 CD GLU A 25 1.043 -4.332 -18.042 1.00 34.52 C ATOM 404 OE1 GLU A 25 0.258 -3.851 -18.879 1.00 71.25 O ATOM 405 OE2 GLU A 25 1.198 -5.571 -17.917 1.00 41.20 O ATOM 0 H GLU A 25 1.958 -5.114 -15.497 1.00 24.51 H new ATOM 0 HA GLU A 25 0.316 -3.495 -13.948 1.00 51.34 H new ATOM 0 HB2 GLU A 25 0.218 -2.176 -16.301 1.00 2.14 H new ATOM 0 HB3 GLU A 25 1.660 -2.205 -15.305 1.00 2.14 H new ATOM 0 HG2 GLU A 25 2.187 -2.543 -17.695 1.00 21.14 H new ATOM 0 HG3 GLU A 25 2.688 -3.910 -16.720 1.00 21.14 H new ATOM 412 N ASP A 26 -1.337 -5.211 -16.159 1.00 0.01 N ATOM 413 CA ASP A 26 -2.649 -5.665 -16.638 1.00 12.12 C ATOM 414 C ASP A 26 -3.648 -5.896 -15.482 1.00 52.43 C ATOM 415 O ASP A 26 -4.841 -5.633 -15.609 1.00 71.32 O ATOM 416 CB ASP A 26 -2.457 -6.984 -17.436 1.00 52.21 C ATOM 417 CG ASP A 26 -3.777 -7.605 -17.927 1.00 2.31 C ATOM 418 OD1 ASP A 26 -4.425 -6.999 -18.804 1.00 31.04 O ATOM 419 OD2 ASP A 26 -4.190 -8.673 -17.419 1.00 41.50 O ATOM 0 H ASP A 26 -0.568 -5.797 -16.484 1.00 0.01 H new ATOM 0 HA ASP A 26 -3.068 -4.884 -17.273 1.00 12.12 H new ATOM 0 HB2 ASP A 26 -1.815 -6.789 -18.295 1.00 52.21 H new ATOM 0 HB3 ASP A 26 -1.937 -7.707 -16.807 1.00 52.21 H new ATOM 424 N GLU A 27 -3.128 -6.395 -14.362 1.00 22.32 N ATOM 425 CA GLU A 27 -3.938 -6.771 -13.186 1.00 21.01 C ATOM 426 C GLU A 27 -3.923 -5.653 -12.113 1.00 54.51 C ATOM 427 O GLU A 27 -4.779 -5.616 -11.218 1.00 4.22 O ATOM 428 CB GLU A 27 -3.379 -8.104 -12.626 1.00 71.42 C ATOM 429 CG GLU A 27 -3.192 -9.184 -13.708 1.00 40.33 C ATOM 430 CD GLU A 27 -2.675 -10.527 -13.176 1.00 31.31 C ATOM 431 OE1 GLU A 27 -1.553 -10.575 -12.632 1.00 5.31 O ATOM 432 OE2 GLU A 27 -3.382 -11.550 -13.310 1.00 61.34 O ATOM 0 H GLU A 27 -2.128 -6.554 -14.236 1.00 22.32 H new ATOM 0 HA GLU A 27 -4.980 -6.903 -13.478 1.00 21.01 H new ATOM 0 HB2 GLU A 27 -2.421 -7.914 -12.142 1.00 71.42 H new ATOM 0 HB3 GLU A 27 -4.055 -8.481 -11.859 1.00 71.42 H new ATOM 0 HG2 GLU A 27 -4.146 -9.348 -14.210 1.00 40.33 H new ATOM 0 HG3 GLU A 27 -2.496 -8.812 -14.460 1.00 40.33 H new ATOM 439 N LEU A 28 -2.931 -4.762 -12.227 1.00 13.20 N ATOM 440 CA LEU A 28 -2.717 -3.635 -11.307 1.00 14.02 C ATOM 441 C LEU A 28 -3.659 -2.459 -11.647 1.00 72.23 C ATOM 442 O LEU A 28 -3.787 -2.065 -12.802 1.00 11.05 O ATOM 443 CB LEU A 28 -1.217 -3.225 -11.388 1.00 25.33 C ATOM 444 CG LEU A 28 -0.671 -2.102 -10.424 1.00 72.30 C ATOM 445 CD1 LEU A 28 -1.012 -0.663 -10.894 1.00 44.44 C ATOM 446 CD2 LEU A 28 -1.124 -2.349 -8.967 1.00 4.04 C ATOM 0 H LEU A 28 -2.240 -4.804 -12.976 1.00 13.20 H new ATOM 0 HA LEU A 28 -2.954 -3.929 -10.284 1.00 14.02 H new ATOM 0 HB2 LEU A 28 -0.622 -4.122 -11.216 1.00 25.33 H new ATOM 0 HB3 LEU A 28 -1.020 -2.903 -12.411 1.00 25.33 H new ATOM 0 HG LEU A 28 0.416 -2.172 -10.460 1.00 72.30 H new ATOM 0 HD11 LEU A 28 -0.606 0.057 -10.184 1.00 44.44 H new ATOM 0 HD12 LEU A 28 -0.576 -0.489 -11.878 1.00 44.44 H new ATOM 0 HD13 LEU A 28 -2.094 -0.546 -10.951 1.00 44.44 H new ATOM 0 HD21 LEU A 28 -0.733 -1.559 -8.326 1.00 4.04 H new ATOM 0 HD22 LEU A 28 -2.213 -2.349 -8.920 1.00 4.04 H new ATOM 0 HD23 LEU A 28 -0.746 -3.313 -8.627 1.00 4.04 H new ATOM 458 N ASP A 29 -4.280 -1.913 -10.600 1.00 72.14 N ATOM 459 CA ASP A 29 -5.064 -0.665 -10.641 1.00 25.42 C ATOM 460 C ASP A 29 -5.194 -0.155 -9.198 1.00 13.31 C ATOM 461 O ASP A 29 -4.849 -0.878 -8.247 1.00 73.13 O ATOM 462 CB ASP A 29 -6.458 -0.929 -11.268 1.00 71.13 C ATOM 463 CG ASP A 29 -7.292 0.331 -11.588 1.00 31.14 C ATOM 464 OD1 ASP A 29 -7.165 0.889 -12.699 1.00 0.11 O ATOM 465 OD2 ASP A 29 -8.084 0.764 -10.735 1.00 34.11 O ATOM 0 H ASP A 29 -4.254 -2.334 -9.671 1.00 72.14 H new ATOM 0 HA ASP A 29 -4.569 0.085 -11.258 1.00 25.42 H new ATOM 0 HB2 ASP A 29 -6.322 -1.497 -12.188 1.00 71.13 H new ATOM 0 HB3 ASP A 29 -7.030 -1.559 -10.587 1.00 71.13 H new ATOM 470 N ASP A 30 -5.669 1.080 -9.043 1.00 33.43 N ATOM 471 CA ASP A 30 -5.818 1.708 -7.728 1.00 25.53 C ATOM 472 C ASP A 30 -7.128 1.273 -7.039 1.00 12.21 C ATOM 473 O ASP A 30 -7.159 1.064 -5.820 1.00 23.44 O ATOM 474 CB ASP A 30 -5.724 3.254 -7.848 1.00 53.43 C ATOM 475 CG ASP A 30 -6.778 3.897 -8.766 1.00 54.11 C ATOM 476 OD1 ASP A 30 -6.693 3.709 -9.995 1.00 71.34 O ATOM 477 OD2 ASP A 30 -7.684 4.600 -8.269 1.00 3.14 O ATOM 0 H ASP A 30 -5.961 1.672 -9.821 1.00 33.43 H new ATOM 0 HA ASP A 30 -4.997 1.368 -7.097 1.00 25.53 H new ATOM 0 HB2 ASP A 30 -5.817 3.688 -6.852 1.00 53.43 H new ATOM 0 HB3 ASP A 30 -4.733 3.516 -8.218 1.00 53.43 H new ATOM 482 N GLN A 31 -8.192 1.148 -7.834 1.00 43.03 N ATOM 483 CA GLN A 31 -9.535 0.738 -7.373 1.00 64.12 C ATOM 484 C GLN A 31 -9.717 -0.796 -7.429 1.00 40.54 C ATOM 485 O GLN A 31 -10.634 -1.326 -6.799 1.00 42.22 O ATOM 486 CB GLN A 31 -10.590 1.460 -8.255 1.00 11.22 C ATOM 487 CG GLN A 31 -10.557 3.002 -8.134 1.00 50.44 C ATOM 488 CD GLN A 31 -11.127 3.760 -9.340 1.00 1.35 C ATOM 489 OE1 GLN A 31 -12.040 3.290 -10.025 1.00 15.30 O ATOM 490 NE2 GLN A 31 -10.558 4.928 -9.623 1.00 22.31 N ATOM 0 H GLN A 31 -8.152 1.331 -8.837 1.00 43.03 H new ATOM 0 HA GLN A 31 -9.662 1.023 -6.329 1.00 64.12 H new ATOM 0 HB2 GLN A 31 -10.429 1.183 -9.297 1.00 11.22 H new ATOM 0 HB3 GLN A 31 -11.583 1.105 -7.981 1.00 11.22 H new ATOM 0 HG2 GLN A 31 -11.115 3.293 -7.244 1.00 50.44 H new ATOM 0 HG3 GLN A 31 -9.525 3.317 -7.981 1.00 50.44 H new ATOM 0 HE21 GLN A 31 -9.806 5.285 -9.034 1.00 22.31 H new ATOM 0 HE22 GLN A 31 -10.874 5.467 -10.429 1.00 22.31 H new ATOM 499 N THR A 32 -8.848 -1.504 -8.186 1.00 72.41 N ATOM 500 CA THR A 32 -8.819 -2.989 -8.175 1.00 34.13 C ATOM 501 C THR A 32 -8.325 -3.478 -6.810 1.00 71.11 C ATOM 502 O THR A 32 -7.282 -3.011 -6.357 1.00 53.25 O ATOM 503 CB THR A 32 -7.898 -3.572 -9.304 1.00 13.24 C ATOM 504 OG1 THR A 32 -8.472 -3.272 -10.583 1.00 10.23 O ATOM 505 CG2 THR A 32 -7.669 -5.101 -9.206 1.00 14.31 C ATOM 0 H THR A 32 -8.162 -1.077 -8.808 1.00 72.41 H new ATOM 0 HA THR A 32 -9.833 -3.341 -8.362 1.00 34.13 H new ATOM 0 HB THR A 32 -6.924 -3.100 -9.177 1.00 13.24 H new ATOM 0 HG1 THR A 32 -7.899 -3.633 -11.291 1.00 10.23 H new ATOM 0 HG21 THR A 32 -7.023 -5.425 -10.022 1.00 14.31 H new ATOM 0 HG22 THR A 32 -7.197 -5.338 -8.253 1.00 14.31 H new ATOM 0 HG23 THR A 32 -8.626 -5.617 -9.275 1.00 14.31 H new ATOM 513 N PRO A 33 -9.077 -4.404 -6.120 1.00 42.31 N ATOM 514 CA PRO A 33 -8.618 -4.993 -4.850 1.00 52.45 C ATOM 515 C PRO A 33 -7.449 -5.960 -5.094 1.00 40.14 C ATOM 516 O PRO A 33 -7.636 -7.086 -5.554 1.00 44.42 O ATOM 517 CB PRO A 33 -9.880 -5.714 -4.312 1.00 10.21 C ATOM 518 CG PRO A 33 -10.702 -6.025 -5.527 1.00 20.20 C ATOM 519 CD PRO A 33 -10.424 -4.911 -6.516 1.00 25.44 C ATOM 0 HA PRO A 33 -8.233 -4.261 -4.140 1.00 52.45 H new ATOM 0 HB2 PRO A 33 -9.614 -6.623 -3.773 1.00 10.21 H new ATOM 0 HB3 PRO A 33 -10.430 -5.080 -3.616 1.00 10.21 H new ATOM 0 HG2 PRO A 33 -10.430 -6.994 -5.945 1.00 20.20 H new ATOM 0 HG3 PRO A 33 -11.762 -6.071 -5.279 1.00 20.20 H new ATOM 0 HD2 PRO A 33 -10.426 -5.279 -7.542 1.00 25.44 H new ATOM 0 HD3 PRO A 33 -11.179 -4.127 -6.457 1.00 25.44 H new ATOM 527 N LEU A 34 -6.236 -5.515 -4.739 1.00 4.22 N ATOM 528 CA LEU A 34 -4.993 -6.247 -5.042 1.00 61.21 C ATOM 529 C LEU A 34 -4.873 -7.455 -4.111 1.00 1.12 C ATOM 530 O LEU A 34 -4.358 -8.513 -4.481 1.00 11.41 O ATOM 531 CB LEU A 34 -3.745 -5.337 -4.878 1.00 63.40 C ATOM 532 CG LEU A 34 -3.654 -4.063 -5.796 1.00 70.41 C ATOM 533 CD1 LEU A 34 -4.077 -4.334 -7.263 1.00 21.03 C ATOM 534 CD2 LEU A 34 -4.398 -2.853 -5.211 1.00 4.23 C ATOM 0 H LEU A 34 -6.086 -4.641 -4.235 1.00 4.22 H new ATOM 0 HA LEU A 34 -5.037 -6.577 -6.080 1.00 61.21 H new ATOM 0 HB2 LEU A 34 -3.702 -5.008 -3.840 1.00 63.40 H new ATOM 0 HB3 LEU A 34 -2.858 -5.945 -5.057 1.00 63.40 H new ATOM 0 HG LEU A 34 -2.595 -3.807 -5.820 1.00 70.41 H new ATOM 0 HD11 LEU A 34 -3.991 -3.415 -7.842 1.00 21.03 H new ATOM 0 HD12 LEU A 34 -3.428 -5.096 -7.694 1.00 21.03 H new ATOM 0 HD13 LEU A 34 -5.110 -4.682 -7.286 1.00 21.03 H new ATOM 0 HD21 LEU A 34 -4.300 -2.004 -5.888 1.00 4.23 H new ATOM 0 HD22 LEU A 34 -5.453 -3.099 -5.088 1.00 4.23 H new ATOM 0 HD23 LEU A 34 -3.970 -2.596 -4.242 1.00 4.23 H new ATOM 546 N LEU A 35 -5.389 -7.262 -2.902 1.00 44.41 N ATOM 547 CA LEU A 35 -5.353 -8.229 -1.822 1.00 43.42 C ATOM 548 C LEU A 35 -6.146 -9.498 -2.166 1.00 4.43 C ATOM 549 O LEU A 35 -5.673 -10.620 -1.952 1.00 20.11 O ATOM 550 CB LEU A 35 -5.942 -7.541 -0.580 1.00 31.54 C ATOM 551 CG LEU A 35 -5.714 -8.261 0.760 1.00 71.43 C ATOM 552 CD1 LEU A 35 -4.231 -8.195 1.186 1.00 33.30 C ATOM 553 CD2 LEU A 35 -6.634 -7.684 1.838 1.00 10.22 C ATOM 0 H LEU A 35 -5.860 -6.395 -2.643 1.00 44.41 H new ATOM 0 HA LEU A 35 -4.326 -8.549 -1.643 1.00 43.42 H new ATOM 0 HB2 LEU A 35 -5.518 -6.539 -0.508 1.00 31.54 H new ATOM 0 HB3 LEU A 35 -7.015 -7.423 -0.729 1.00 31.54 H new ATOM 0 HG LEU A 35 -5.964 -9.314 0.631 1.00 71.43 H new ATOM 0 HD11 LEU A 35 -4.102 -8.713 2.137 1.00 33.30 H new ATOM 0 HD12 LEU A 35 -3.613 -8.673 0.426 1.00 33.30 H new ATOM 0 HD13 LEU A 35 -3.930 -7.153 1.296 1.00 33.30 H new ATOM 0 HD21 LEU A 35 -6.461 -8.204 2.780 1.00 10.22 H new ATOM 0 HD22 LEU A 35 -6.424 -6.622 1.965 1.00 10.22 H new ATOM 0 HD23 LEU A 35 -7.674 -7.815 1.537 1.00 10.22 H new ATOM 565 N GLU A 36 -7.347 -9.288 -2.720 1.00 22.11 N ATOM 566 CA GLU A 36 -8.254 -10.377 -3.117 1.00 4.34 C ATOM 567 C GLU A 36 -7.694 -11.120 -4.337 1.00 13.31 C ATOM 568 O GLU A 36 -7.856 -12.339 -4.482 1.00 32.41 O ATOM 569 CB GLU A 36 -9.661 -9.818 -3.449 1.00 10.10 C ATOM 570 CG GLU A 36 -10.246 -8.829 -2.416 1.00 33.40 C ATOM 571 CD GLU A 36 -10.167 -9.318 -0.959 1.00 54.34 C ATOM 572 OE1 GLU A 36 -11.023 -10.115 -0.542 1.00 54.41 O ATOM 573 OE2 GLU A 36 -9.255 -8.883 -0.220 1.00 43.34 O ATOM 0 H GLU A 36 -7.719 -8.357 -2.907 1.00 22.11 H new ATOM 0 HA GLU A 36 -8.337 -11.073 -2.282 1.00 4.34 H new ATOM 0 HB2 GLU A 36 -9.615 -9.320 -4.417 1.00 10.10 H new ATOM 0 HB3 GLU A 36 -10.350 -10.656 -3.554 1.00 10.10 H new ATOM 0 HG2 GLU A 36 -9.716 -7.880 -2.498 1.00 33.40 H new ATOM 0 HG3 GLU A 36 -11.289 -8.635 -2.666 1.00 33.40 H new ATOM 580 N TRP A 37 -7.010 -10.347 -5.198 1.00 11.20 N ATOM 581 CA TRP A 37 -6.412 -10.848 -6.449 1.00 75.54 C ATOM 582 C TRP A 37 -5.100 -11.627 -6.203 1.00 31.44 C ATOM 583 O TRP A 37 -4.565 -12.234 -7.135 1.00 41.25 O ATOM 584 CB TRP A 37 -6.193 -9.662 -7.432 1.00 31.53 C ATOM 585 CG TRP A 37 -7.458 -9.220 -8.141 1.00 72.41 C ATOM 586 CD1 TRP A 37 -8.695 -9.007 -7.591 1.00 73.52 C ATOM 587 CD2 TRP A 37 -7.599 -8.953 -9.543 1.00 22.34 C ATOM 588 NE1 TRP A 37 -9.588 -8.643 -8.560 1.00 33.32 N ATOM 589 CE2 TRP A 37 -8.939 -8.594 -9.769 1.00 53.33 C ATOM 590 CE3 TRP A 37 -6.716 -8.979 -10.627 1.00 30.44 C ATOM 591 CZ2 TRP A 37 -9.422 -8.279 -11.037 1.00 63.13 C ATOM 592 CZ3 TRP A 37 -7.195 -8.662 -11.883 1.00 40.01 C ATOM 593 CH2 TRP A 37 -8.539 -8.313 -12.079 1.00 23.12 C ATOM 0 H TRP A 37 -6.855 -9.350 -5.045 1.00 11.20 H new ATOM 0 HA TRP A 37 -7.107 -11.559 -6.896 1.00 75.54 H new ATOM 0 HB2 TRP A 37 -5.780 -8.816 -6.882 1.00 31.53 H new ATOM 0 HB3 TRP A 37 -5.451 -9.950 -8.177 1.00 31.53 H new ATOM 0 HD1 TRP A 37 -8.931 -9.112 -6.542 1.00 73.52 H new ATOM 0 HE1 TRP A 37 -10.576 -8.441 -8.409 1.00 33.32 H new ATOM 0 HE3 TRP A 37 -5.678 -9.242 -10.485 1.00 30.44 H new ATOM 0 HZ2 TRP A 37 -10.458 -8.017 -11.191 1.00 63.13 H new ATOM 0 HZ3 TRP A 37 -6.523 -8.683 -12.728 1.00 40.01 H new ATOM 0 HH2 TRP A 37 -8.883 -8.066 -13.073 1.00 23.12 H new ATOM 604 N GLY A 38 -4.600 -11.608 -4.955 1.00 64.23 N ATOM 605 CA GLY A 38 -3.360 -12.317 -4.604 1.00 1.21 C ATOM 606 C GLY A 38 -2.105 -11.589 -5.072 1.00 53.44 C ATOM 607 O GLY A 38 -1.038 -12.193 -5.217 1.00 24.35 O ATOM 0 H GLY A 38 -5.034 -11.112 -4.177 1.00 64.23 H new ATOM 0 HA2 GLY A 38 -3.316 -12.447 -3.523 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -3.381 -13.314 -5.044 1.00 1.21 H new ATOM 611 N ILE A 39 -2.261 -10.280 -5.321 1.00 35.21 N ATOM 612 CA ILE A 39 -1.163 -9.356 -5.626 1.00 13.13 C ATOM 613 C ILE A 39 -0.540 -8.905 -4.287 1.00 34.31 C ATOM 614 O ILE A 39 0.611 -8.481 -4.235 1.00 23.30 O ATOM 615 CB ILE A 39 -1.706 -8.130 -6.474 1.00 0.23 C ATOM 616 CG1 ILE A 39 -2.412 -8.653 -7.779 1.00 62.21 C ATOM 617 CG2 ILE A 39 -0.593 -7.097 -6.803 1.00 43.53 C ATOM 618 CD1 ILE A 39 -3.044 -7.590 -8.666 1.00 10.14 C ATOM 0 H ILE A 39 -3.175 -9.827 -5.315 1.00 35.21 H new ATOM 0 HA ILE A 39 -0.396 -9.842 -6.229 1.00 13.13 H new ATOM 0 HB ILE A 39 -2.439 -7.601 -5.865 1.00 0.23 H new ATOM 0 HG12 ILE A 39 -1.679 -9.202 -8.370 1.00 62.21 H new ATOM 0 HG13 ILE A 39 -3.186 -9.364 -7.490 1.00 62.21 H new ATOM 0 HG21 ILE A 39 -1.017 -6.278 -7.384 1.00 43.53 H new ATOM 0 HG22 ILE A 39 -0.175 -6.705 -5.876 1.00 43.53 H new ATOM 0 HG23 ILE A 39 0.194 -7.582 -7.380 1.00 43.53 H new ATOM 0 HD11 ILE A 39 -3.500 -8.065 -9.535 1.00 10.14 H new ATOM 0 HD12 ILE A 39 -3.808 -7.053 -8.103 1.00 10.14 H new ATOM 0 HD13 ILE A 39 -2.277 -6.889 -8.997 1.00 10.14 H new ATOM 630 N LEU A 40 -1.357 -9.016 -3.208 1.00 13.35 N ATOM 631 CA LEU A 40 -0.949 -8.805 -1.807 1.00 32.50 C ATOM 632 C LEU A 40 -1.368 -10.027 -0.970 1.00 21.12 C ATOM 633 O LEU A 40 -2.460 -10.564 -1.174 1.00 55.42 O ATOM 634 CB LEU A 40 -1.627 -7.531 -1.249 1.00 42.13 C ATOM 635 CG LEU A 40 -1.362 -6.218 -2.037 1.00 62.32 C ATOM 636 CD1 LEU A 40 -2.221 -5.051 -1.498 1.00 24.01 C ATOM 637 CD2 LEU A 40 0.138 -5.876 -2.033 1.00 10.33 C ATOM 0 H LEU A 40 -2.343 -9.262 -3.298 1.00 13.35 H new ATOM 0 HA LEU A 40 0.133 -8.681 -1.757 1.00 32.50 H new ATOM 0 HB2 LEU A 40 -2.703 -7.701 -1.216 1.00 42.13 H new ATOM 0 HB3 LEU A 40 -1.295 -7.388 -0.221 1.00 42.13 H new ATOM 0 HG LEU A 40 -1.662 -6.378 -3.073 1.00 62.32 H new ATOM 0 HD11 LEU A 40 -2.010 -4.149 -2.072 1.00 24.01 H new ATOM 0 HD12 LEU A 40 -3.277 -5.303 -1.593 1.00 24.01 H new ATOM 0 HD13 LEU A 40 -1.982 -4.878 -0.449 1.00 24.01 H new ATOM 0 HD21 LEU A 40 0.302 -4.954 -2.590 1.00 10.33 H new ATOM 0 HD22 LEU A 40 0.479 -5.745 -1.006 1.00 10.33 H new ATOM 0 HD23 LEU A 40 0.697 -6.686 -2.500 1.00 10.33 H new ATOM 649 N ASN A 41 -0.498 -10.467 -0.036 1.00 0.22 N ATOM 650 CA ASN A 41 -0.847 -11.523 0.949 1.00 50.12 C ATOM 651 C ASN A 41 -0.230 -11.211 2.310 1.00 21.50 C ATOM 652 O ASN A 41 -0.970 -10.997 3.273 1.00 12.12 O ATOM 653 CB ASN A 41 -0.416 -12.943 0.476 1.00 33.20 C ATOM 654 CG ASN A 41 -0.952 -14.081 1.373 1.00 33.42 C ATOM 655 OD1 ASN A 41 -1.967 -13.932 2.056 1.00 14.03 O ATOM 656 ND2 ASN A 41 -0.309 -15.243 1.334 1.00 14.22 N ATOM 0 H ASN A 41 0.452 -10.109 0.060 1.00 0.22 H new ATOM 0 HA ASN A 41 -1.933 -11.527 1.038 1.00 50.12 H new ATOM 0 HB2 ASN A 41 -0.767 -13.099 -0.544 1.00 33.20 H new ATOM 0 HB3 ASN A 41 0.673 -12.994 0.450 1.00 33.20 H new ATOM 0 HD21 ASN A 41 -0.654 -16.035 1.877 1.00 14.22 H new ATOM 0 HD22 ASN A 41 0.529 -15.343 0.761 1.00 14.22 H new ATOM 663 N SER A 42 1.122 -11.167 2.402 1.00 71.23 N ATOM 664 CA SER A 42 1.807 -10.914 3.691 1.00 10.42 C ATOM 665 C SER A 42 3.273 -10.518 3.478 1.00 32.22 C ATOM 666 O SER A 42 3.661 -9.403 3.828 1.00 0.21 O ATOM 667 CB SER A 42 1.724 -12.139 4.643 1.00 35.54 C ATOM 668 OG SER A 42 2.354 -11.850 5.872 1.00 60.43 O ATOM 0 H SER A 42 1.751 -11.301 1.610 1.00 71.23 H new ATOM 0 HA SER A 42 1.284 -10.081 4.162 1.00 10.42 H new ATOM 0 HB2 SER A 42 0.681 -12.404 4.815 1.00 35.54 H new ATOM 0 HB3 SER A 42 2.199 -13.002 4.177 1.00 35.54 H new ATOM 0 HG SER A 42 2.293 -12.630 6.462 1.00 60.43 H new ATOM 673 N MET A 43 4.064 -11.453 2.910 1.00 1.01 N ATOM 674 CA MET A 43 5.545 -11.306 2.716 1.00 72.43 C ATOM 675 C MET A 43 5.855 -9.987 2.021 1.00 15.14 C ATOM 676 O MET A 43 6.708 -9.212 2.450 1.00 31.43 O ATOM 677 CB MET A 43 6.147 -12.487 1.863 1.00 32.25 C ATOM 678 CG MET A 43 5.410 -13.815 1.995 1.00 64.24 C ATOM 679 SD MET A 43 3.830 -13.762 1.122 1.00 72.32 S ATOM 680 CE MET A 43 2.956 -15.114 1.876 1.00 32.42 C ATOM 0 H MET A 43 3.702 -12.342 2.566 1.00 1.01 H new ATOM 0 HA MET A 43 6.002 -11.328 3.705 1.00 72.43 H new ATOM 0 HB2 MET A 43 6.150 -12.193 0.813 1.00 32.25 H new ATOM 0 HB3 MET A 43 7.186 -12.634 2.156 1.00 32.25 H new ATOM 0 HG2 MET A 43 6.026 -14.619 1.593 1.00 64.24 H new ATOM 0 HG3 MET A 43 5.241 -14.039 3.048 1.00 64.24 H new ATOM 0 HE1 MET A 43 2.601 -15.794 1.102 1.00 32.42 H new ATOM 0 HE2 MET A 43 3.625 -15.649 2.550 1.00 32.42 H new ATOM 0 HE3 MET A 43 2.106 -14.729 2.439 1.00 32.42 H new ATOM 690 N ASN A 44 5.094 -9.763 0.959 1.00 63.42 N ATOM 691 CA ASN A 44 5.196 -8.590 0.110 1.00 12.21 C ATOM 692 C ASN A 44 4.533 -7.343 0.760 1.00 61.43 C ATOM 693 O ASN A 44 4.957 -6.218 0.530 1.00 53.20 O ATOM 694 CB ASN A 44 4.582 -8.915 -1.268 1.00 72.30 C ATOM 695 CG ASN A 44 3.084 -9.236 -1.242 1.00 61.11 C ATOM 696 OD1 ASN A 44 2.554 -9.794 -0.267 1.00 24.15 O ATOM 697 ND2 ASN A 44 2.395 -8.898 -2.319 1.00 24.30 N ATOM 0 H ASN A 44 4.368 -10.413 0.658 1.00 63.42 H new ATOM 0 HA ASN A 44 6.248 -8.335 -0.019 1.00 12.21 H new ATOM 0 HB2 ASN A 44 4.746 -8.067 -1.933 1.00 72.30 H new ATOM 0 HB3 ASN A 44 5.114 -9.764 -1.697 1.00 72.30 H new ATOM 0 HD21 ASN A 44 1.395 -9.094 -2.367 1.00 24.30 H new ATOM 0 HD22 ASN A 44 2.863 -8.441 -3.101 1.00 24.30 H new ATOM 704 N ILE A 45 3.512 -7.563 1.596 1.00 74.24 N ATOM 705 CA ILE A 45 2.831 -6.489 2.368 1.00 12.30 C ATOM 706 C ILE A 45 3.814 -5.789 3.342 1.00 21.12 C ATOM 707 O ILE A 45 3.696 -4.580 3.604 1.00 42.10 O ATOM 708 CB ILE A 45 1.574 -7.094 3.134 1.00 11.13 C ATOM 709 CG1 ILE A 45 0.280 -6.972 2.265 1.00 21.10 C ATOM 710 CG2 ILE A 45 1.390 -6.516 4.564 1.00 35.21 C ATOM 711 CD1 ILE A 45 -0.953 -7.613 2.872 1.00 13.25 C ATOM 0 H ILE A 45 3.125 -8.491 1.765 1.00 74.24 H new ATOM 0 HA ILE A 45 2.477 -5.726 1.675 1.00 12.30 H new ATOM 0 HB ILE A 45 1.774 -8.155 3.283 1.00 11.13 H new ATOM 0 HG12 ILE A 45 0.075 -5.916 2.089 1.00 21.10 H new ATOM 0 HG13 ILE A 45 0.468 -7.426 1.292 1.00 21.10 H new ATOM 0 HG21 ILE A 45 0.516 -6.970 5.030 1.00 35.21 H new ATOM 0 HG22 ILE A 45 2.275 -6.735 5.162 1.00 35.21 H new ATOM 0 HG23 ILE A 45 1.250 -5.437 4.505 1.00 35.21 H new ATOM 0 HD11 ILE A 45 -1.801 -7.479 2.200 1.00 13.25 H new ATOM 0 HD12 ILE A 45 -0.773 -8.678 3.022 1.00 13.25 H new ATOM 0 HD13 ILE A 45 -1.172 -7.144 3.831 1.00 13.25 H new ATOM 723 N VAL A 46 4.791 -6.567 3.842 1.00 43.24 N ATOM 724 CA VAL A 46 5.824 -6.090 4.792 1.00 2.20 C ATOM 725 C VAL A 46 6.688 -4.961 4.168 1.00 2.10 C ATOM 726 O VAL A 46 7.198 -4.072 4.868 1.00 64.11 O ATOM 727 CB VAL A 46 6.728 -7.283 5.268 1.00 10.54 C ATOM 728 CG1 VAL A 46 7.755 -6.823 6.318 1.00 4.32 C ATOM 729 CG2 VAL A 46 5.887 -8.449 5.834 1.00 45.32 C ATOM 0 H VAL A 46 4.890 -7.553 3.599 1.00 43.24 H new ATOM 0 HA VAL A 46 5.313 -5.674 5.660 1.00 2.20 H new ATOM 0 HB VAL A 46 7.262 -7.642 4.388 1.00 10.54 H new ATOM 0 HG11 VAL A 46 8.365 -7.672 6.627 1.00 4.32 H new ATOM 0 HG12 VAL A 46 8.396 -6.053 5.887 1.00 4.32 H new ATOM 0 HG13 VAL A 46 7.233 -6.417 7.184 1.00 4.32 H new ATOM 0 HG21 VAL A 46 6.549 -9.254 6.152 1.00 45.32 H new ATOM 0 HG22 VAL A 46 5.306 -8.098 6.687 1.00 45.32 H new ATOM 0 HG23 VAL A 46 5.211 -8.818 5.062 1.00 45.32 H new ATOM 739 N LYS A 47 6.789 -4.999 2.833 1.00 3.43 N ATOM 740 CA LYS A 47 7.514 -3.993 2.035 1.00 70.12 C ATOM 741 C LYS A 47 6.826 -2.623 2.168 1.00 25.34 C ATOM 742 O LYS A 47 7.490 -1.597 2.242 1.00 63.52 O ATOM 743 CB LYS A 47 7.575 -4.411 0.536 1.00 2.32 C ATOM 744 CG LYS A 47 8.561 -5.550 0.188 1.00 20.42 C ATOM 745 CD LYS A 47 8.292 -6.859 0.948 1.00 2.12 C ATOM 746 CE LYS A 47 9.212 -8.009 0.530 1.00 12.51 C ATOM 747 NZ LYS A 47 10.639 -7.674 0.705 1.00 73.14 N ATOM 0 H LYS A 47 6.366 -5.735 2.268 1.00 3.43 H new ATOM 0 HA LYS A 47 8.533 -3.925 2.415 1.00 70.12 H new ATOM 0 HB2 LYS A 47 6.576 -4.714 0.223 1.00 2.32 H new ATOM 0 HB3 LYS A 47 7.841 -3.534 -0.054 1.00 2.32 H new ATOM 0 HG2 LYS A 47 8.511 -5.746 -0.883 1.00 20.42 H new ATOM 0 HG3 LYS A 47 9.576 -5.218 0.404 1.00 20.42 H new ATOM 0 HD2 LYS A 47 8.410 -6.680 2.017 1.00 2.12 H new ATOM 0 HD3 LYS A 47 7.256 -7.157 0.787 1.00 2.12 H new ATOM 0 HE2 LYS A 47 8.974 -8.895 1.119 1.00 12.51 H new ATOM 0 HE3 LYS A 47 9.025 -8.260 -0.514 1.00 12.51 H new ATOM 0 HZ1 LYS A 47 11.220 -8.509 0.490 1.00 73.14 H new ATOM 0 HZ2 LYS A 47 10.895 -6.899 0.061 1.00 73.14 H new ATOM 0 HZ3 LYS A 47 10.808 -7.378 1.687 1.00 73.14 H new ATOM 761 N LEU A 48 5.476 -2.641 2.222 1.00 61.54 N ATOM 762 CA LEU A 48 4.647 -1.421 2.351 1.00 62.20 C ATOM 763 C LEU A 48 4.737 -0.826 3.767 1.00 42.12 C ATOM 764 O LEU A 48 4.657 0.394 3.922 1.00 24.03 O ATOM 765 CB LEU A 48 3.158 -1.683 1.974 1.00 14.31 C ATOM 766 CG LEU A 48 2.868 -1.974 0.460 1.00 12.10 C ATOM 767 CD1 LEU A 48 3.492 -0.877 -0.458 1.00 14.32 C ATOM 768 CD2 LEU A 48 3.331 -3.394 0.037 1.00 12.52 C ATOM 0 H LEU A 48 4.930 -3.501 2.177 1.00 61.54 H new ATOM 0 HA LEU A 48 5.051 -0.697 1.644 1.00 62.20 H new ATOM 0 HB2 LEU A 48 2.800 -2.529 2.560 1.00 14.31 H new ATOM 0 HB3 LEU A 48 2.571 -0.815 2.275 1.00 14.31 H new ATOM 0 HG LEU A 48 1.786 -1.942 0.332 1.00 12.10 H new ATOM 0 HD11 LEU A 48 3.273 -1.108 -1.501 1.00 14.32 H new ATOM 0 HD12 LEU A 48 3.067 0.094 -0.204 1.00 14.32 H new ATOM 0 HD13 LEU A 48 4.572 -0.851 -0.311 1.00 14.32 H new ATOM 0 HD21 LEU A 48 3.109 -3.549 -1.019 1.00 12.52 H new ATOM 0 HD22 LEU A 48 4.404 -3.491 0.201 1.00 12.52 H new ATOM 0 HD23 LEU A 48 2.805 -4.141 0.632 1.00 12.52 H new ATOM 780 N MET A 49 4.930 -1.693 4.782 1.00 12.20 N ATOM 781 CA MET A 49 5.044 -1.266 6.198 1.00 64.14 C ATOM 782 C MET A 49 6.211 -0.272 6.362 1.00 41.22 C ATOM 783 O MET A 49 6.061 0.784 6.991 1.00 4.23 O ATOM 784 CB MET A 49 5.255 -2.488 7.145 1.00 20.21 C ATOM 785 CG MET A 49 4.177 -3.584 7.087 1.00 34.15 C ATOM 786 SD MET A 49 4.597 -4.982 8.169 1.00 55.41 S ATOM 787 CE MET A 49 3.471 -6.275 7.637 1.00 43.45 C ATOM 0 H MET A 49 5.011 -2.701 4.649 1.00 12.20 H new ATOM 0 HA MET A 49 4.110 -0.777 6.475 1.00 64.14 H new ATOM 0 HB2 MET A 49 6.218 -2.941 6.910 1.00 20.21 H new ATOM 0 HB3 MET A 49 5.316 -2.121 8.170 1.00 20.21 H new ATOM 0 HG2 MET A 49 3.215 -3.167 7.385 1.00 34.15 H new ATOM 0 HG3 MET A 49 4.068 -3.936 6.061 1.00 34.15 H new ATOM 0 HE1 MET A 49 3.297 -6.967 8.461 1.00 43.45 H new ATOM 0 HE2 MET A 49 2.524 -5.830 7.331 1.00 43.45 H new ATOM 0 HE3 MET A 49 3.907 -6.814 6.796 1.00 43.45 H new ATOM 797 N VAL A 50 7.366 -0.626 5.760 1.00 0.12 N ATOM 798 CA VAL A 50 8.586 0.209 5.786 1.00 44.53 C ATOM 799 C VAL A 50 8.575 1.295 4.674 1.00 24.23 C ATOM 800 O VAL A 50 9.186 2.366 4.835 1.00 20.22 O ATOM 801 CB VAL A 50 9.890 -0.678 5.688 1.00 53.10 C ATOM 802 CG1 VAL A 50 9.957 -1.487 4.366 1.00 33.21 C ATOM 803 CG2 VAL A 50 11.178 0.167 5.898 1.00 65.24 C ATOM 0 H VAL A 50 7.479 -1.498 5.243 1.00 0.12 H new ATOM 0 HA VAL A 50 8.594 0.725 6.746 1.00 44.53 H new ATOM 0 HB VAL A 50 9.832 -1.402 6.501 1.00 53.10 H new ATOM 0 HG11 VAL A 50 10.872 -2.080 4.348 1.00 33.21 H new ATOM 0 HG12 VAL A 50 9.094 -2.150 4.301 1.00 33.21 H new ATOM 0 HG13 VAL A 50 9.953 -0.801 3.519 1.00 33.21 H new ATOM 0 HG21 VAL A 50 12.053 -0.479 5.823 1.00 65.24 H new ATOM 0 HG22 VAL A 50 11.233 0.943 5.134 1.00 65.24 H new ATOM 0 HG23 VAL A 50 11.152 0.630 6.884 1.00 65.24 H new ATOM 813 N TYR A 51 7.863 1.018 3.560 1.00 34.13 N ATOM 814 CA TYR A 51 7.800 1.942 2.394 1.00 13.22 C ATOM 815 C TYR A 51 7.151 3.266 2.807 1.00 52.41 C ATOM 816 O TYR A 51 7.721 4.338 2.643 1.00 43.43 O ATOM 817 CB TYR A 51 6.991 1.322 1.221 1.00 70.04 C ATOM 818 CG TYR A 51 7.111 2.111 -0.096 1.00 63.03 C ATOM 819 CD1 TYR A 51 8.337 2.198 -0.763 1.00 33.32 C ATOM 820 CD2 TYR A 51 6.018 2.765 -0.664 1.00 10.43 C ATOM 821 CE1 TYR A 51 8.460 2.911 -1.941 1.00 73.42 C ATOM 822 CE2 TYR A 51 6.140 3.473 -1.842 1.00 42.45 C ATOM 823 CZ TYR A 51 7.356 3.546 -2.476 1.00 43.25 C ATOM 824 OH TYR A 51 7.468 4.269 -3.644 1.00 52.35 O ATOM 0 H TYR A 51 7.321 0.162 3.439 1.00 34.13 H new ATOM 0 HA TYR A 51 8.822 2.117 2.057 1.00 13.22 H new ATOM 0 HB2 TYR A 51 7.333 0.300 1.055 1.00 70.04 H new ATOM 0 HB3 TYR A 51 5.940 1.264 1.506 1.00 70.04 H new ATOM 0 HD1 TYR A 51 9.202 1.700 -0.351 1.00 33.32 H new ATOM 0 HD2 TYR A 51 5.058 2.716 -0.172 1.00 10.43 H new ATOM 0 HE1 TYR A 51 9.415 2.971 -2.441 1.00 73.42 H new ATOM 0 HE2 TYR A 51 5.279 3.970 -2.265 1.00 42.45 H new ATOM 0 HH TYR A 51 8.174 3.881 -4.202 1.00 52.35 H new ATOM 834 N ILE A 52 5.955 3.126 3.376 1.00 75.11 N ATOM 835 CA ILE A 52 5.109 4.237 3.830 1.00 13.11 C ATOM 836 C ILE A 52 5.767 4.956 5.024 1.00 0.22 C ATOM 837 O ILE A 52 5.655 6.182 5.176 1.00 41.23 O ATOM 838 CB ILE A 52 3.682 3.670 4.194 1.00 73.13 C ATOM 839 CG1 ILE A 52 3.072 2.952 2.934 1.00 62.50 C ATOM 840 CG2 ILE A 52 2.741 4.771 4.730 1.00 1.30 C ATOM 841 CD1 ILE A 52 1.902 2.032 3.213 1.00 72.13 C ATOM 0 H ILE A 52 5.533 2.212 3.540 1.00 75.11 H new ATOM 0 HA ILE A 52 4.996 4.977 3.037 1.00 13.11 H new ATOM 0 HB ILE A 52 3.791 2.945 5.000 1.00 73.13 H new ATOM 0 HG12 ILE A 52 2.752 3.713 2.223 1.00 62.50 H new ATOM 0 HG13 ILE A 52 3.859 2.374 2.450 1.00 62.50 H new ATOM 0 HG21 ILE A 52 1.770 4.336 4.968 1.00 1.30 H new ATOM 0 HG22 ILE A 52 3.171 5.211 5.629 1.00 1.30 H new ATOM 0 HG23 ILE A 52 2.616 5.544 3.972 1.00 1.30 H new ATOM 0 HD11 ILE A 52 1.557 1.588 2.279 1.00 72.13 H new ATOM 0 HD12 ILE A 52 2.215 1.242 3.896 1.00 72.13 H new ATOM 0 HD13 ILE A 52 1.091 2.602 3.665 1.00 72.13 H new ATOM 853 N ARG A 53 6.496 4.158 5.831 1.00 42.13 N ATOM 854 CA ARG A 53 7.269 4.638 6.994 1.00 53.34 C ATOM 855 C ARG A 53 8.365 5.643 6.591 1.00 54.43 C ATOM 856 O ARG A 53 8.699 6.547 7.362 1.00 75.15 O ATOM 857 CB ARG A 53 7.886 3.428 7.733 1.00 63.35 C ATOM 858 CG ARG A 53 8.610 3.761 9.055 1.00 52.32 C ATOM 859 CD ARG A 53 9.175 2.508 9.749 1.00 60.40 C ATOM 860 NE ARG A 53 9.588 2.780 11.138 1.00 30.13 N ATOM 861 CZ ARG A 53 10.049 1.861 12.002 1.00 45.10 C ATOM 862 NH1 ARG A 53 10.186 0.589 11.640 1.00 14.51 N ATOM 863 NH2 ARG A 53 10.353 2.228 13.235 1.00 63.32 N ATOM 0 H ARG A 53 6.565 3.150 5.691 1.00 42.13 H new ATOM 0 HA ARG A 53 6.586 5.168 7.658 1.00 53.34 H new ATOM 0 HB2 ARG A 53 7.094 2.709 7.943 1.00 63.35 H new ATOM 0 HB3 ARG A 53 8.593 2.937 7.064 1.00 63.35 H new ATOM 0 HG2 ARG A 53 9.423 4.459 8.855 1.00 52.32 H new ATOM 0 HG3 ARG A 53 7.916 4.264 9.729 1.00 52.32 H new ATOM 0 HD2 ARG A 53 8.421 1.720 9.743 1.00 60.40 H new ATOM 0 HD3 ARG A 53 10.029 2.136 9.184 1.00 60.40 H new ATOM 0 HE ARG A 53 9.518 3.742 11.469 1.00 30.13 H new ATOM 0 HH11 ARG A 53 9.940 0.299 10.694 1.00 14.51 H new ATOM 0 HH12 ARG A 53 10.538 -0.096 12.309 1.00 14.51 H new ATOM 0 HH21 ARG A 53 10.237 3.200 13.521 1.00 63.32 H new ATOM 0 HH22 ARG A 53 10.704 1.539 13.900 1.00 63.32 H new ATOM 877 N ASP A 54 8.932 5.468 5.393 1.00 40.52 N ATOM 878 CA ASP A 54 9.974 6.370 4.870 1.00 55.33 C ATOM 879 C ASP A 54 9.339 7.486 4.017 1.00 11.00 C ATOM 880 O ASP A 54 9.472 8.672 4.341 1.00 25.42 O ATOM 881 CB ASP A 54 11.018 5.545 4.061 1.00 64.31 C ATOM 882 CG ASP A 54 12.243 6.367 3.625 1.00 64.14 C ATOM 883 OD1 ASP A 54 12.838 7.061 4.475 1.00 12.52 O ATOM 884 OD2 ASP A 54 12.628 6.315 2.447 1.00 11.15 O ATOM 0 H ASP A 54 8.688 4.706 4.761 1.00 40.52 H new ATOM 0 HA ASP A 54 10.492 6.852 5.699 1.00 55.33 H new ATOM 0 HB2 ASP A 54 11.352 4.703 4.667 1.00 64.31 H new ATOM 0 HB3 ASP A 54 10.535 5.130 3.176 1.00 64.31 H new ATOM 889 N GLU A 55 8.610 7.081 2.964 1.00 71.30 N ATOM 890 CA GLU A 55 8.001 7.997 1.971 1.00 1.42 C ATOM 891 C GLU A 55 7.069 9.051 2.603 1.00 55.41 C ATOM 892 O GLU A 55 7.326 10.258 2.496 1.00 22.12 O ATOM 893 CB GLU A 55 7.243 7.187 0.886 1.00 65.42 C ATOM 894 CG GLU A 55 8.144 6.317 -0.015 1.00 32.44 C ATOM 895 CD GLU A 55 9.301 7.103 -0.660 1.00 24.53 C ATOM 896 OE1 GLU A 55 9.047 8.156 -1.282 1.00 71.22 O ATOM 897 OE2 GLU A 55 10.464 6.676 -0.550 1.00 30.43 O ATOM 0 H GLU A 55 8.422 6.097 2.771 1.00 71.30 H new ATOM 0 HA GLU A 55 8.822 8.547 1.512 1.00 1.42 H new ATOM 0 HB2 GLU A 55 6.513 6.543 1.376 1.00 65.42 H new ATOM 0 HB3 GLU A 55 6.685 7.881 0.257 1.00 65.42 H new ATOM 0 HG2 GLU A 55 8.555 5.498 0.576 1.00 32.44 H new ATOM 0 HG3 GLU A 55 7.536 5.869 -0.801 1.00 32.44 H new ATOM 904 N MET A 56 5.984 8.588 3.250 1.00 42.50 N ATOM 905 CA MET A 56 5.006 9.478 3.931 1.00 33.15 C ATOM 906 C MET A 56 5.404 9.712 5.403 1.00 41.30 C ATOM 907 O MET A 56 4.693 10.407 6.137 1.00 40.51 O ATOM 908 CB MET A 56 3.568 8.895 3.817 1.00 73.32 C ATOM 909 CG MET A 56 2.955 9.030 2.419 1.00 11.15 C ATOM 910 SD MET A 56 3.935 8.214 1.142 1.00 71.41 S ATOM 911 CE MET A 56 3.485 6.502 1.344 1.00 2.12 C ATOM 0 H MET A 56 5.755 7.596 3.320 1.00 42.50 H new ATOM 0 HA MET A 56 5.016 10.447 3.432 1.00 33.15 H new ATOM 0 HB2 MET A 56 3.590 7.841 4.093 1.00 73.32 H new ATOM 0 HB3 MET A 56 2.923 9.400 4.537 1.00 73.32 H new ATOM 0 HG2 MET A 56 1.951 8.606 2.426 1.00 11.15 H new ATOM 0 HG3 MET A 56 2.854 10.087 2.173 1.00 11.15 H new ATOM 0 HE1 MET A 56 4.200 5.873 0.814 1.00 2.12 H new ATOM 0 HE2 MET A 56 3.492 6.246 2.404 1.00 2.12 H new ATOM 0 HE3 MET A 56 2.487 6.338 0.938 1.00 2.12 H new ATOM 921 N GLY A 57 6.535 9.108 5.815 1.00 73.01 N ATOM 922 CA GLY A 57 7.089 9.288 7.154 1.00 23.42 C ATOM 923 C GLY A 57 6.230 8.689 8.256 1.00 31.51 C ATOM 924 O GLY A 57 6.370 9.072 9.417 1.00 10.31 O ATOM 0 H GLY A 57 7.084 8.484 5.223 1.00 73.01 H new ATOM 0 HA2 GLY A 57 8.080 8.836 7.191 1.00 23.42 H new ATOM 0 HA3 GLY A 57 7.218 10.354 7.344 1.00 23.42 H new ATOM 928 N VAL A 58 5.360 7.729 7.906 1.00 42.34 N ATOM 929 CA VAL A 58 4.377 7.168 8.850 1.00 61.10 C ATOM 930 C VAL A 58 4.321 5.631 8.704 1.00 33.54 C ATOM 931 O VAL A 58 4.016 5.104 7.638 1.00 1.51 O ATOM 932 CB VAL A 58 2.963 7.841 8.632 1.00 51.34 C ATOM 933 CG1 VAL A 58 2.416 7.647 7.191 1.00 42.32 C ATOM 934 CG2 VAL A 58 1.953 7.361 9.687 1.00 60.33 C ATOM 0 H VAL A 58 5.316 7.322 6.972 1.00 42.34 H new ATOM 0 HA VAL A 58 4.686 7.389 9.872 1.00 61.10 H new ATOM 0 HB VAL A 58 3.106 8.914 8.761 1.00 51.34 H new ATOM 0 HG11 VAL A 58 1.443 8.131 7.103 1.00 42.32 H new ATOM 0 HG12 VAL A 58 3.108 8.092 6.476 1.00 42.32 H new ATOM 0 HG13 VAL A 58 2.312 6.582 6.982 1.00 42.32 H new ATOM 0 HG21 VAL A 58 0.990 7.840 9.513 1.00 60.33 H new ATOM 0 HG22 VAL A 58 1.839 6.279 9.616 1.00 60.33 H new ATOM 0 HG23 VAL A 58 2.314 7.623 10.682 1.00 60.33 H new ATOM 944 N SER A 59 4.663 4.916 9.788 1.00 21.50 N ATOM 945 CA SER A 59 4.755 3.450 9.793 1.00 43.25 C ATOM 946 C SER A 59 3.361 2.809 9.798 1.00 41.34 C ATOM 947 O SER A 59 2.427 3.343 10.410 1.00 42.34 O ATOM 948 CB SER A 59 5.556 2.982 11.037 1.00 22.24 C ATOM 949 OG SER A 59 5.008 3.505 12.238 1.00 24.34 O ATOM 0 H SER A 59 4.884 5.342 10.688 1.00 21.50 H new ATOM 0 HA SER A 59 5.270 3.135 8.886 1.00 43.25 H new ATOM 0 HB2 SER A 59 5.558 1.893 11.081 1.00 22.24 H new ATOM 0 HB3 SER A 59 6.595 3.299 10.942 1.00 22.24 H new ATOM 0 HG SER A 59 5.534 3.190 13.002 1.00 24.34 H new ATOM 955 N ILE A 60 3.226 1.685 9.078 1.00 1.02 N ATOM 956 CA ILE A 60 2.148 0.719 9.323 1.00 45.42 C ATOM 957 C ILE A 60 2.655 -0.247 10.418 1.00 42.24 C ATOM 958 O ILE A 60 3.559 -1.049 10.156 1.00 51.32 O ATOM 959 CB ILE A 60 1.745 -0.127 8.053 1.00 10.51 C ATOM 960 CG1 ILE A 60 1.282 0.766 6.847 1.00 71.20 C ATOM 961 CG2 ILE A 60 0.643 -1.147 8.442 1.00 53.13 C ATOM 962 CD1 ILE A 60 -0.182 1.204 6.889 1.00 24.11 C ATOM 0 H ILE A 60 3.854 1.423 8.318 1.00 1.02 H new ATOM 0 HA ILE A 60 1.256 1.275 9.614 1.00 45.42 H new ATOM 0 HB ILE A 60 2.634 -0.657 7.712 1.00 10.51 H new ATOM 0 HG12 ILE A 60 1.910 1.656 6.812 1.00 71.20 H new ATOM 0 HG13 ILE A 60 1.454 0.217 5.921 1.00 71.20 H new ATOM 0 HG21 ILE A 60 0.363 -1.732 7.566 1.00 53.13 H new ATOM 0 HG22 ILE A 60 1.021 -1.813 9.218 1.00 53.13 H new ATOM 0 HG23 ILE A 60 -0.231 -0.614 8.816 1.00 53.13 H new ATOM 0 HD11 ILE A 60 -0.404 1.816 6.014 1.00 24.11 H new ATOM 0 HD12 ILE A 60 -0.825 0.324 6.889 1.00 24.11 H new ATOM 0 HD13 ILE A 60 -0.362 1.785 7.793 1.00 24.11 H new ATOM 974 N PRO A 61 2.125 -0.144 11.669 1.00 14.21 N ATOM 975 CA PRO A 61 2.450 -1.096 12.746 1.00 52.11 C ATOM 976 C PRO A 61 1.638 -2.406 12.636 1.00 13.15 C ATOM 977 O PRO A 61 0.654 -2.489 11.880 1.00 10.35 O ATOM 978 CB PRO A 61 2.094 -0.295 14.011 1.00 43.45 C ATOM 979 CG PRO A 61 0.958 0.590 13.589 1.00 74.34 C ATOM 980 CD PRO A 61 1.197 0.927 12.137 1.00 22.43 C ATOM 0 HA PRO A 61 3.486 -1.434 12.725 1.00 52.11 H new ATOM 0 HB2 PRO A 61 1.801 -0.954 14.828 1.00 43.45 H new ATOM 0 HB3 PRO A 61 2.944 0.290 14.362 1.00 43.45 H new ATOM 0 HG2 PRO A 61 0.002 0.083 13.718 1.00 74.34 H new ATOM 0 HG3 PRO A 61 0.923 1.494 14.197 1.00 74.34 H new ATOM 0 HD2 PRO A 61 0.267 0.927 11.568 1.00 22.43 H new ATOM 0 HD3 PRO A 61 1.639 1.917 12.024 1.00 22.43 H new ATOM 988 N SER A 62 2.062 -3.416 13.413 1.00 53.15 N ATOM 989 CA SER A 62 1.470 -4.770 13.394 1.00 72.12 C ATOM 990 C SER A 62 -0.002 -4.781 13.877 1.00 11.33 C ATOM 991 O SER A 62 -0.797 -5.631 13.462 1.00 51.32 O ATOM 992 CB SER A 62 2.348 -5.724 14.223 1.00 12.24 C ATOM 993 OG SER A 62 3.695 -5.630 13.802 1.00 14.51 O ATOM 0 H SER A 62 2.830 -3.319 14.077 1.00 53.15 H new ATOM 0 HA SER A 62 1.445 -5.116 12.361 1.00 72.12 H new ATOM 0 HB2 SER A 62 2.271 -5.475 15.281 1.00 12.24 H new ATOM 0 HB3 SER A 62 1.994 -6.749 14.110 1.00 12.24 H new ATOM 0 HG SER A 62 4.248 -6.239 14.335 1.00 14.51 H new ATOM 999 N THR A 63 -0.349 -3.812 14.730 1.00 34.55 N ATOM 1000 CA THR A 63 -1.727 -3.612 15.229 1.00 4.21 C ATOM 1001 C THR A 63 -2.670 -3.045 14.132 1.00 51.20 C ATOM 1002 O THR A 63 -3.894 -3.126 14.255 1.00 21.14 O ATOM 1003 CB THR A 63 -1.715 -2.683 16.496 1.00 13.44 C ATOM 1004 OG1 THR A 63 -3.046 -2.460 17.006 1.00 41.14 O ATOM 1005 CG2 THR A 63 -1.042 -1.328 16.211 1.00 63.24 C ATOM 0 H THR A 63 0.318 -3.136 15.101 1.00 34.55 H new ATOM 0 HA THR A 63 -2.122 -4.588 15.511 1.00 4.21 H new ATOM 0 HB THR A 63 -1.131 -3.208 17.252 1.00 13.44 H new ATOM 0 HG1 THR A 63 -3.001 -1.880 17.794 1.00 41.14 H new ATOM 0 HG21 THR A 63 -1.056 -0.718 17.114 1.00 63.24 H new ATOM 0 HG22 THR A 63 -0.010 -1.492 15.900 1.00 63.24 H new ATOM 0 HG23 THR A 63 -1.583 -0.813 15.417 1.00 63.24 H new ATOM 1013 N HIS A 64 -2.078 -2.468 13.063 1.00 42.42 N ATOM 1014 CA HIS A 64 -2.812 -1.968 11.875 1.00 63.31 C ATOM 1015 C HIS A 64 -2.643 -2.933 10.680 1.00 40.40 C ATOM 1016 O HIS A 64 -2.885 -2.555 9.530 1.00 44.41 O ATOM 1017 CB HIS A 64 -2.354 -0.518 11.525 1.00 60.12 C ATOM 1018 CG HIS A 64 -2.978 0.557 12.400 1.00 62.14 C ATOM 1019 ND1 HIS A 64 -2.535 0.851 13.669 1.00 31.22 N ATOM 1020 CD2 HIS A 64 -4.000 1.425 12.157 1.00 70.01 C ATOM 1021 CE1 HIS A 64 -3.257 1.836 14.173 1.00 42.23 C ATOM 1022 NE2 HIS A 64 -4.150 2.214 13.278 1.00 12.01 N ATOM 0 H HIS A 64 -1.069 -2.334 12.998 1.00 42.42 H new ATOM 0 HA HIS A 64 -3.876 -1.930 12.108 1.00 63.31 H new ATOM 0 HB2 HIS A 64 -1.269 -0.460 11.614 1.00 60.12 H new ATOM 0 HB3 HIS A 64 -2.600 -0.312 10.483 1.00 60.12 H new ATOM 0 HD2 HIS A 64 -4.586 1.484 11.252 1.00 70.01 H new ATOM 0 HE1 HIS A 64 -3.136 2.263 15.158 1.00 42.23 H new ATOM 0 HE2 HIS A 64 -4.834 2.962 13.395 1.00 12.01 H new ATOM 1031 N ILE A 65 -2.234 -4.192 10.951 1.00 31.50 N ATOM 1032 CA ILE A 65 -2.150 -5.230 9.910 1.00 50.51 C ATOM 1033 C ILE A 65 -3.471 -6.006 9.852 1.00 0.52 C ATOM 1034 O ILE A 65 -3.718 -6.939 10.635 1.00 41.22 O ATOM 1035 CB ILE A 65 -0.935 -6.207 10.119 1.00 4.14 C ATOM 1036 CG1 ILE A 65 0.402 -5.418 10.101 1.00 65.40 C ATOM 1037 CG2 ILE A 65 -0.910 -7.346 9.066 1.00 41.32 C ATOM 1038 CD1 ILE A 65 0.626 -4.582 8.864 1.00 51.42 C ATOM 0 H ILE A 65 -1.958 -4.509 11.880 1.00 31.50 H new ATOM 0 HA ILE A 65 -1.976 -4.729 8.958 1.00 50.51 H new ATOM 0 HB ILE A 65 -1.059 -6.676 11.095 1.00 4.14 H new ATOM 0 HG12 ILE A 65 0.435 -4.766 10.974 1.00 65.40 H new ATOM 0 HG13 ILE A 65 1.226 -6.125 10.199 1.00 65.40 H new ATOM 0 HG21 ILE A 65 -0.054 -7.994 9.251 1.00 41.32 H new ATOM 0 HG22 ILE A 65 -1.828 -7.929 9.138 1.00 41.32 H new ATOM 0 HG23 ILE A 65 -0.830 -6.917 8.067 1.00 41.32 H new ATOM 0 HD11 ILE A 65 1.584 -4.068 8.941 1.00 51.42 H new ATOM 0 HD12 ILE A 65 0.630 -5.227 7.985 1.00 51.42 H new ATOM 0 HD13 ILE A 65 -0.174 -3.847 8.772 1.00 51.42 H new ATOM 1050 N THR A 66 -4.330 -5.554 8.944 1.00 21.11 N ATOM 1051 CA THR A 66 -5.572 -6.228 8.574 1.00 54.11 C ATOM 1052 C THR A 66 -5.816 -5.990 7.082 1.00 2.34 C ATOM 1053 O THR A 66 -5.243 -5.062 6.485 1.00 2.24 O ATOM 1054 CB THR A 66 -6.802 -5.723 9.410 1.00 5.54 C ATOM 1055 OG1 THR A 66 -8.025 -6.325 8.934 1.00 53.33 O ATOM 1056 CG2 THR A 66 -6.940 -4.199 9.366 1.00 23.43 C ATOM 0 H THR A 66 -4.178 -4.686 8.431 1.00 21.11 H new ATOM 0 HA THR A 66 -5.467 -7.292 8.789 1.00 54.11 H new ATOM 0 HB THR A 66 -6.623 -6.021 10.443 1.00 5.54 H new ATOM 0 HG1 THR A 66 -8.779 -5.999 9.468 1.00 53.33 H new ATOM 0 HG21 THR A 66 -7.803 -3.895 9.958 1.00 23.43 H new ATOM 0 HG22 THR A 66 -6.040 -3.740 9.775 1.00 23.43 H new ATOM 0 HG23 THR A 66 -7.075 -3.876 8.334 1.00 23.43 H new ATOM 1064 N GLY A 67 -6.675 -6.822 6.504 1.00 45.31 N ATOM 1065 CA GLY A 67 -7.019 -6.727 5.101 1.00 72.01 C ATOM 1066 C GLY A 67 -7.684 -5.397 4.737 1.00 54.25 C ATOM 1067 O GLY A 67 -7.461 -4.871 3.650 1.00 74.42 O ATOM 0 H GLY A 67 -7.149 -7.578 6.999 1.00 45.31 H new ATOM 0 HA2 GLY A 67 -6.117 -6.852 4.502 1.00 72.01 H new ATOM 0 HA3 GLY A 67 -7.690 -7.546 4.841 1.00 72.01 H new ATOM 1071 N LYS A 68 -8.470 -4.845 5.689 1.00 73.52 N ATOM 1072 CA LYS A 68 -9.224 -3.578 5.530 1.00 21.22 C ATOM 1073 C LYS A 68 -8.326 -2.411 5.057 1.00 53.35 C ATOM 1074 O LYS A 68 -8.741 -1.567 4.255 1.00 75.41 O ATOM 1075 CB LYS A 68 -9.919 -3.217 6.878 1.00 34.15 C ATOM 1076 CG LYS A 68 -10.840 -1.975 6.829 1.00 31.43 C ATOM 1077 CD LYS A 68 -11.807 -1.885 8.041 1.00 1.14 C ATOM 1078 CE LYS A 68 -11.122 -1.482 9.358 1.00 0.32 C ATOM 1079 NZ LYS A 68 -10.799 -0.036 9.389 1.00 34.23 N ATOM 0 H LYS A 68 -8.601 -5.274 6.605 1.00 73.52 H new ATOM 0 HA LYS A 68 -9.974 -3.732 4.754 1.00 21.22 H new ATOM 0 HB2 LYS A 68 -10.507 -4.074 7.206 1.00 34.15 H new ATOM 0 HB3 LYS A 68 -9.150 -3.050 7.632 1.00 34.15 H new ATOM 0 HG2 LYS A 68 -10.225 -1.075 6.795 1.00 31.43 H new ATOM 0 HG3 LYS A 68 -11.423 -1.998 5.908 1.00 31.43 H new ATOM 0 HD2 LYS A 68 -12.591 -1.162 7.815 1.00 1.14 H new ATOM 0 HD3 LYS A 68 -12.294 -2.851 8.177 1.00 1.14 H new ATOM 0 HE2 LYS A 68 -11.774 -1.727 10.197 1.00 0.32 H new ATOM 0 HE3 LYS A 68 -10.208 -2.062 9.485 1.00 0.32 H new ATOM 0 HZ1 LYS A 68 -9.777 0.088 9.533 1.00 34.23 H new ATOM 0 HZ2 LYS A 68 -11.077 0.401 8.487 1.00 34.23 H new ATOM 0 HZ3 LYS A 68 -11.316 0.419 10.168 1.00 34.23 H new ATOM 1093 N TYR A 69 -7.080 -2.409 5.540 1.00 70.32 N ATOM 1094 CA TYR A 69 -6.118 -1.324 5.275 1.00 34.22 C ATOM 1095 C TYR A 69 -5.268 -1.581 4.027 1.00 54.40 C ATOM 1096 O TYR A 69 -4.661 -0.652 3.503 1.00 13.51 O ATOM 1097 CB TYR A 69 -5.233 -1.107 6.525 1.00 75.34 C ATOM 1098 CG TYR A 69 -6.033 -0.624 7.757 1.00 11.22 C ATOM 1099 CD1 TYR A 69 -7.150 0.218 7.615 1.00 4.45 C ATOM 1100 CD2 TYR A 69 -5.698 -1.022 9.047 1.00 21.33 C ATOM 1101 CE1 TYR A 69 -7.880 0.630 8.701 1.00 12.42 C ATOM 1102 CE2 TYR A 69 -6.445 -0.616 10.138 1.00 64.03 C ATOM 1103 CZ TYR A 69 -7.529 0.207 9.956 1.00 15.45 C ATOM 1104 OH TYR A 69 -8.296 0.585 11.026 1.00 34.24 O ATOM 0 H TYR A 69 -6.706 -3.156 6.125 1.00 70.32 H new ATOM 0 HA TYR A 69 -6.683 -0.415 5.069 1.00 34.22 H new ATOM 0 HB2 TYR A 69 -4.727 -2.040 6.771 1.00 75.34 H new ATOM 0 HB3 TYR A 69 -4.459 -0.376 6.292 1.00 75.34 H new ATOM 0 HD1 TYR A 69 -7.440 0.548 6.628 1.00 4.45 H new ATOM 0 HD2 TYR A 69 -4.839 -1.659 9.199 1.00 21.33 H new ATOM 0 HE1 TYR A 69 -8.728 1.285 8.567 1.00 12.42 H new ATOM 0 HE2 TYR A 69 -6.176 -0.946 11.131 1.00 64.03 H new ATOM 0 HH TYR A 69 -7.921 0.206 11.848 1.00 34.24 H new ATOM 1114 N PHE A 70 -5.238 -2.836 3.553 1.00 51.23 N ATOM 1115 CA PHE A 70 -4.441 -3.245 2.365 1.00 72.41 C ATOM 1116 C PHE A 70 -5.346 -3.850 1.262 1.00 71.12 C ATOM 1117 O PHE A 70 -4.858 -4.620 0.425 1.00 10.00 O ATOM 1118 CB PHE A 70 -3.349 -4.274 2.791 1.00 43.44 C ATOM 1119 CG PHE A 70 -2.240 -3.695 3.682 1.00 75.12 C ATOM 1120 CD1 PHE A 70 -1.127 -3.065 3.115 1.00 44.01 C ATOM 1121 CD2 PHE A 70 -2.309 -3.781 5.075 1.00 0.50 C ATOM 1122 CE1 PHE A 70 -0.124 -2.544 3.909 1.00 32.11 C ATOM 1123 CE2 PHE A 70 -1.304 -3.259 5.866 1.00 55.54 C ATOM 1124 CZ PHE A 70 -0.213 -2.642 5.280 1.00 1.21 C ATOM 0 H PHE A 70 -5.762 -3.602 3.976 1.00 51.23 H new ATOM 0 HA PHE A 70 -3.961 -2.357 1.953 1.00 72.41 H new ATOM 0 HB2 PHE A 70 -3.830 -5.097 3.320 1.00 43.44 H new ATOM 0 HB3 PHE A 70 -2.894 -4.694 1.894 1.00 43.44 H new ATOM 0 HD1 PHE A 70 -1.051 -2.985 2.041 1.00 44.01 H new ATOM 0 HD2 PHE A 70 -3.158 -4.261 5.539 1.00 0.50 H new ATOM 0 HE1 PHE A 70 0.729 -2.061 3.456 1.00 32.11 H new ATOM 0 HE2 PHE A 70 -1.370 -3.332 6.941 1.00 55.54 H new ATOM 0 HZ PHE A 70 0.572 -2.235 5.900 1.00 1.21 H new ATOM 1134 N LYS A 71 -6.656 -3.499 1.256 1.00 74.22 N ATOM 1135 CA LYS A 71 -7.615 -3.973 0.210 1.00 71.14 C ATOM 1136 C LYS A 71 -7.100 -3.607 -1.198 1.00 73.11 C ATOM 1137 O LYS A 71 -6.930 -4.467 -2.072 1.00 32.14 O ATOM 1138 CB LYS A 71 -9.027 -3.335 0.396 1.00 35.11 C ATOM 1139 CG LYS A 71 -9.748 -3.668 1.712 1.00 41.50 C ATOM 1140 CD LYS A 71 -10.102 -5.164 1.846 1.00 1.12 C ATOM 1141 CE LYS A 71 -11.056 -5.656 0.756 1.00 61.24 C ATOM 1142 NZ LYS A 71 -11.321 -7.111 0.875 1.00 33.01 N ATOM 0 H LYS A 71 -7.078 -2.892 1.959 1.00 74.22 H new ATOM 0 HA LYS A 71 -7.694 -5.055 0.316 1.00 71.14 H new ATOM 0 HB2 LYS A 71 -8.927 -2.252 0.323 1.00 35.11 H new ATOM 0 HB3 LYS A 71 -9.660 -3.653 -0.433 1.00 35.11 H new ATOM 0 HG2 LYS A 71 -9.116 -3.374 2.550 1.00 41.50 H new ATOM 0 HG3 LYS A 71 -10.662 -3.077 1.779 1.00 41.50 H new ATOM 0 HD2 LYS A 71 -9.185 -5.753 1.811 1.00 1.12 H new ATOM 0 HD3 LYS A 71 -10.555 -5.338 2.822 1.00 1.12 H new ATOM 0 HE2 LYS A 71 -11.996 -5.108 0.821 1.00 61.24 H new ATOM 0 HE3 LYS A 71 -10.630 -5.443 -0.224 1.00 61.24 H new ATOM 0 HZ1 LYS A 71 -11.888 -7.428 0.063 1.00 33.01 H new ATOM 0 HZ2 LYS A 71 -10.419 -7.628 0.890 1.00 33.01 H new ATOM 0 HZ3 LYS A 71 -11.842 -7.298 1.755 1.00 33.01 H new ATOM 1156 N ASP A 72 -6.801 -2.311 -1.339 1.00 13.21 N ATOM 1157 CA ASP A 72 -6.443 -1.662 -2.603 1.00 4.22 C ATOM 1158 C ASP A 72 -5.754 -0.323 -2.282 1.00 24.00 C ATOM 1159 O ASP A 72 -5.393 -0.073 -1.118 1.00 62.32 O ATOM 1160 CB ASP A 72 -7.717 -1.471 -3.487 1.00 72.43 C ATOM 1161 CG ASP A 72 -8.737 -0.490 -2.884 1.00 22.24 C ATOM 1162 OD1 ASP A 72 -9.317 -0.793 -1.823 1.00 51.32 O ATOM 1163 OD2 ASP A 72 -8.959 0.587 -3.460 1.00 74.14 O ATOM 0 H ASP A 72 -6.802 -1.665 -0.550 1.00 13.21 H new ATOM 0 HA ASP A 72 -5.752 -2.282 -3.174 1.00 4.22 H new ATOM 0 HB2 ASP A 72 -7.417 -1.112 -4.471 1.00 72.43 H new ATOM 0 HB3 ASP A 72 -8.197 -2.439 -3.633 1.00 72.43 H new ATOM 1168 N LEU A 73 -5.535 0.526 -3.307 1.00 44.22 N ATOM 1169 CA LEU A 73 -4.854 1.822 -3.105 1.00 22.14 C ATOM 1170 C LEU A 73 -5.733 2.809 -2.334 1.00 13.32 C ATOM 1171 O LEU A 73 -5.221 3.549 -1.506 1.00 70.14 O ATOM 1172 CB LEU A 73 -4.399 2.472 -4.433 1.00 35.24 C ATOM 1173 CG LEU A 73 -3.595 3.811 -4.284 1.00 53.23 C ATOM 1174 CD1 LEU A 73 -2.340 3.606 -3.392 1.00 62.10 C ATOM 1175 CD2 LEU A 73 -3.217 4.398 -5.666 1.00 33.14 C ATOM 0 H LEU A 73 -5.815 0.342 -4.270 1.00 44.22 H new ATOM 0 HA LEU A 73 -3.965 1.596 -2.516 1.00 22.14 H new ATOM 0 HB2 LEU A 73 -3.782 1.756 -4.976 1.00 35.24 H new ATOM 0 HB3 LEU A 73 -5.280 2.663 -5.045 1.00 35.24 H new ATOM 0 HG LEU A 73 -4.241 4.537 -3.789 1.00 53.23 H new ATOM 0 HD11 LEU A 73 -1.799 4.548 -3.303 1.00 62.10 H new ATOM 0 HD12 LEU A 73 -2.648 3.270 -2.402 1.00 62.10 H new ATOM 0 HD13 LEU A 73 -1.691 2.856 -3.844 1.00 62.10 H new ATOM 0 HD21 LEU A 73 -2.661 5.325 -5.528 1.00 33.14 H new ATOM 0 HD22 LEU A 73 -2.600 3.682 -6.209 1.00 33.14 H new ATOM 0 HD23 LEU A 73 -4.124 4.600 -6.236 1.00 33.14 H new ATOM 1187 N ASN A 74 -7.044 2.810 -2.611 1.00 54.03 N ATOM 1188 CA ASN A 74 -7.999 3.727 -1.952 1.00 63.33 C ATOM 1189 C ASN A 74 -8.170 3.355 -0.466 1.00 35.41 C ATOM 1190 O ASN A 74 -8.432 4.233 0.366 1.00 55.53 O ATOM 1191 CB ASN A 74 -9.359 3.727 -2.690 1.00 64.21 C ATOM 1192 CG ASN A 74 -9.234 4.166 -4.150 1.00 3.34 C ATOM 1193 OD1 ASN A 74 -9.315 5.352 -4.457 1.00 64.31 O ATOM 1194 ND2 ASN A 74 -9.008 3.223 -5.052 1.00 4.31 N ATOM 0 H ASN A 74 -7.475 2.183 -3.291 1.00 54.03 H new ATOM 0 HA ASN A 74 -7.595 4.738 -2.001 1.00 63.33 H new ATOM 0 HB2 ASN A 74 -9.790 2.727 -2.651 1.00 64.21 H new ATOM 0 HB3 ASN A 74 -10.050 4.392 -2.172 1.00 64.21 H new ATOM 0 HD21 ASN A 74 -8.896 3.473 -6.034 1.00 4.31 H new ATOM 0 HD22 ASN A 74 -8.946 2.246 -4.764 1.00 4.31 H new ATOM 1201 N ALA A 75 -8.004 2.053 -0.149 1.00 43.15 N ATOM 1202 CA ALA A 75 -7.957 1.569 1.245 1.00 25.04 C ATOM 1203 C ALA A 75 -6.721 2.130 1.983 1.00 52.44 C ATOM 1204 O ALA A 75 -6.845 2.731 3.056 1.00 32.23 O ATOM 1205 CB ALA A 75 -7.973 0.036 1.279 1.00 42.32 C ATOM 0 H ALA A 75 -7.900 1.315 -0.846 1.00 43.15 H new ATOM 0 HA ALA A 75 -8.844 1.930 1.765 1.00 25.04 H new ATOM 0 HB1 ALA A 75 -7.938 -0.305 2.314 1.00 42.32 H new ATOM 0 HB2 ALA A 75 -8.885 -0.329 0.807 1.00 42.32 H new ATOM 0 HB3 ALA A 75 -7.107 -0.349 0.740 1.00 42.32 H new ATOM 1211 N ILE A 76 -5.540 1.944 1.367 1.00 12.55 N ATOM 1212 CA ILE A 76 -4.247 2.466 1.875 1.00 15.34 C ATOM 1213 C ILE A 76 -4.253 4.003 1.912 1.00 21.11 C ATOM 1214 O ILE A 76 -3.668 4.592 2.810 1.00 34.32 O ATOM 1215 CB ILE A 76 -3.035 1.926 1.005 1.00 64.42 C ATOM 1216 CG1 ILE A 76 -2.933 0.375 1.137 1.00 21.05 C ATOM 1217 CG2 ILE A 76 -1.683 2.596 1.397 1.00 62.11 C ATOM 1218 CD1 ILE A 76 -1.871 -0.292 0.281 1.00 34.00 C ATOM 0 H ILE A 76 -5.449 1.423 0.495 1.00 12.55 H new ATOM 0 HA ILE A 76 -4.116 2.104 2.895 1.00 15.34 H new ATOM 0 HB ILE A 76 -3.233 2.189 -0.034 1.00 64.42 H new ATOM 0 HG12 ILE A 76 -2.738 0.130 2.181 1.00 21.05 H new ATOM 0 HG13 ILE A 76 -3.901 -0.057 0.884 1.00 21.05 H new ATOM 0 HG21 ILE A 76 -0.884 2.194 0.774 1.00 62.11 H new ATOM 0 HG22 ILE A 76 -1.754 3.673 1.246 1.00 62.11 H new ATOM 0 HG23 ILE A 76 -1.465 2.390 2.445 1.00 62.11 H new ATOM 0 HD11 ILE A 76 -1.889 -1.368 0.452 1.00 34.00 H new ATOM 0 HD12 ILE A 76 -2.071 -0.088 -0.771 1.00 34.00 H new ATOM 0 HD13 ILE A 76 -0.890 0.101 0.547 1.00 34.00 H new ATOM 1230 N SER A 77 -4.980 4.627 0.966 1.00 43.33 N ATOM 1231 CA SER A 77 -5.055 6.095 0.833 1.00 1.34 C ATOM 1232 C SER A 77 -5.726 6.711 2.053 1.00 61.21 C ATOM 1233 O SER A 77 -5.349 7.792 2.468 1.00 10.30 O ATOM 1234 CB SER A 77 -5.815 6.485 -0.463 1.00 33.44 C ATOM 1235 OG SER A 77 -5.942 7.896 -0.620 1.00 32.12 O ATOM 0 H SER A 77 -5.533 4.126 0.271 1.00 43.33 H new ATOM 0 HA SER A 77 -4.040 6.486 0.768 1.00 1.34 H new ATOM 0 HB2 SER A 77 -5.291 6.073 -1.325 1.00 33.44 H new ATOM 0 HB3 SER A 77 -6.807 6.034 -0.448 1.00 33.44 H new ATOM 0 HG SER A 77 -6.425 8.091 -1.450 1.00 32.12 H new ATOM 1241 N ARG A 78 -6.703 6.008 2.620 1.00 75.44 N ATOM 1242 CA ARG A 78 -7.397 6.467 3.828 1.00 63.33 C ATOM 1243 C ARG A 78 -6.584 6.097 5.072 1.00 13.05 C ATOM 1244 O ARG A 78 -6.397 6.944 5.936 1.00 51.22 O ATOM 1245 CB ARG A 78 -8.843 5.906 3.876 1.00 32.41 C ATOM 1246 CG ARG A 78 -9.714 6.362 2.678 1.00 73.34 C ATOM 1247 CD ARG A 78 -9.769 7.905 2.523 1.00 20.41 C ATOM 1248 NE ARG A 78 -10.401 8.327 1.258 1.00 21.53 N ATOM 1249 CZ ARG A 78 -10.021 9.383 0.522 1.00 34.22 C ATOM 1250 NH1 ARG A 78 -9.001 10.150 0.891 1.00 41.43 N ATOM 1251 NH2 ARG A 78 -10.670 9.659 -0.595 1.00 60.32 N ATOM 0 H ARG A 78 -7.036 5.113 2.262 1.00 75.44 H new ATOM 0 HA ARG A 78 -7.483 7.553 3.805 1.00 63.33 H new ATOM 0 HB2 ARG A 78 -8.803 4.817 3.894 1.00 32.41 H new ATOM 0 HB3 ARG A 78 -9.318 6.223 4.804 1.00 32.41 H new ATOM 0 HG2 ARG A 78 -9.320 5.924 1.761 1.00 73.34 H new ATOM 0 HG3 ARG A 78 -10.726 5.978 2.805 1.00 73.34 H new ATOM 0 HD2 ARG A 78 -10.322 8.331 3.360 1.00 20.41 H new ATOM 0 HD3 ARG A 78 -8.757 8.307 2.571 1.00 20.41 H new ATOM 0 HE ARG A 78 -11.187 7.774 0.917 1.00 21.53 H new ATOM 0 HH11 ARG A 78 -8.490 9.941 1.749 1.00 41.43 H new ATOM 0 HH12 ARG A 78 -8.729 10.948 0.317 1.00 41.43 H new ATOM 0 HH21 ARG A 78 -11.451 9.072 -0.890 1.00 60.32 H new ATOM 0 HH22 ARG A 78 -10.391 10.459 -1.163 1.00 60.32 H new ATOM 1265 N THR A 79 -6.056 4.854 5.098 1.00 73.45 N ATOM 1266 CA THR A 79 -5.250 4.316 6.224 1.00 22.54 C ATOM 1267 C THR A 79 -4.057 5.217 6.568 1.00 50.52 C ATOM 1268 O THR A 79 -3.824 5.544 7.736 1.00 74.44 O ATOM 1269 CB THR A 79 -4.701 2.897 5.883 1.00 61.34 C ATOM 1270 OG1 THR A 79 -5.791 2.043 5.525 1.00 53.20 O ATOM 1271 CG2 THR A 79 -3.905 2.274 7.058 1.00 73.05 C ATOM 0 H THR A 79 -6.176 4.188 4.335 1.00 73.45 H new ATOM 0 HA THR A 79 -5.920 4.271 7.083 1.00 22.54 H new ATOM 0 HB THR A 79 -4.010 2.999 5.047 1.00 61.34 H new ATOM 0 HG1 THR A 79 -6.004 1.452 6.277 1.00 53.20 H new ATOM 0 HG21 THR A 79 -3.544 1.287 6.770 1.00 73.05 H new ATOM 0 HG22 THR A 79 -3.057 2.913 7.302 1.00 73.05 H new ATOM 0 HG23 THR A 79 -4.554 2.183 7.929 1.00 73.05 H new ATOM 1279 N VAL A 80 -3.332 5.609 5.518 1.00 5.03 N ATOM 1280 CA VAL A 80 -2.096 6.381 5.619 1.00 21.35 C ATOM 1281 C VAL A 80 -2.387 7.779 6.227 1.00 12.42 C ATOM 1282 O VAL A 80 -1.553 8.342 6.929 1.00 62.01 O ATOM 1283 CB VAL A 80 -1.396 6.471 4.197 1.00 63.23 C ATOM 1284 CG1 VAL A 80 -2.205 7.314 3.188 1.00 72.52 C ATOM 1285 CG2 VAL A 80 0.044 6.994 4.300 1.00 64.40 C ATOM 0 H VAL A 80 -3.594 5.394 4.556 1.00 5.03 H new ATOM 0 HA VAL A 80 -1.401 5.878 6.291 1.00 21.35 H new ATOM 0 HB VAL A 80 -1.363 5.450 3.817 1.00 63.23 H new ATOM 0 HG11 VAL A 80 -1.680 7.342 2.233 1.00 72.52 H new ATOM 0 HG12 VAL A 80 -3.190 6.868 3.048 1.00 72.52 H new ATOM 0 HG13 VAL A 80 -2.318 8.329 3.569 1.00 72.52 H new ATOM 0 HG21 VAL A 80 0.486 7.040 3.305 1.00 64.40 H new ATOM 0 HG22 VAL A 80 0.038 7.991 4.741 1.00 64.40 H new ATOM 0 HG23 VAL A 80 0.631 6.323 4.927 1.00 64.40 H new ATOM 1295 N GLU A 81 -3.613 8.292 5.982 1.00 73.41 N ATOM 1296 CA GLU A 81 -4.095 9.578 6.545 1.00 64.21 C ATOM 1297 C GLU A 81 -4.647 9.400 7.985 1.00 53.32 C ATOM 1298 O GLU A 81 -4.529 10.320 8.812 1.00 34.34 O ATOM 1299 CB GLU A 81 -5.176 10.179 5.609 1.00 62.30 C ATOM 1300 CG GLU A 81 -4.705 10.331 4.158 1.00 31.35 C ATOM 1301 CD GLU A 81 -5.794 10.850 3.199 1.00 15.25 C ATOM 1302 OE1 GLU A 81 -6.851 10.193 3.052 1.00 13.31 O ATOM 1303 OE2 GLU A 81 -5.596 11.914 2.578 1.00 4.23 O ATOM 0 H GLU A 81 -4.299 7.827 5.388 1.00 73.41 H new ATOM 0 HA GLU A 81 -3.252 10.266 6.609 1.00 64.21 H new ATOM 0 HB2 GLU A 81 -6.061 9.543 5.632 1.00 62.30 H new ATOM 0 HB3 GLU A 81 -5.475 11.155 5.991 1.00 62.30 H new ATOM 0 HG2 GLU A 81 -3.856 11.014 4.132 1.00 31.35 H new ATOM 0 HG3 GLU A 81 -4.349 9.365 3.799 1.00 31.35 H new ATOM 1310 N GLN A 82 -5.239 8.217 8.280 1.00 14.43 N ATOM 1311 CA GLN A 82 -5.738 7.888 9.643 1.00 64.21 C ATOM 1312 C GLN A 82 -4.557 7.860 10.619 1.00 34.31 C ATOM 1313 O GLN A 82 -4.627 8.400 11.720 1.00 14.33 O ATOM 1314 CB GLN A 82 -6.472 6.515 9.698 1.00 62.14 C ATOM 1315 CG GLN A 82 -7.675 6.348 8.741 1.00 54.11 C ATOM 1316 CD GLN A 82 -8.826 7.354 8.913 1.00 23.31 C ATOM 1317 OE1 GLN A 82 -9.513 7.692 7.947 1.00 11.30 O ATOM 1318 NE2 GLN A 82 -9.079 7.799 10.130 1.00 13.02 N ATOM 0 H GLN A 82 -5.384 7.475 7.596 1.00 14.43 H new ATOM 0 HA GLN A 82 -6.458 8.658 9.919 1.00 64.21 H new ATOM 0 HB2 GLN A 82 -5.748 5.730 9.479 1.00 62.14 H new ATOM 0 HB3 GLN A 82 -6.820 6.353 10.718 1.00 62.14 H new ATOM 0 HG2 GLN A 82 -7.310 6.418 7.716 1.00 54.11 H new ATOM 0 HG3 GLN A 82 -8.077 5.343 8.868 1.00 54.11 H new ATOM 0 HE21 GLN A 82 -8.495 7.504 10.913 1.00 13.02 H new ATOM 0 HE22 GLN A 82 -9.858 8.438 10.288 1.00 13.02 H new ATOM 1327 N LEU A 83 -3.464 7.241 10.149 1.00 22.24 N ATOM 1328 CA LEU A 83 -2.213 7.084 10.900 1.00 22.52 C ATOM 1329 C LEU A 83 -1.529 8.427 11.126 1.00 41.30 C ATOM 1330 O LEU A 83 -0.983 8.655 12.203 1.00 75.52 O ATOM 1331 CB LEU A 83 -1.256 6.132 10.145 1.00 12.20 C ATOM 1332 CG LEU A 83 -1.663 4.638 10.069 1.00 72.14 C ATOM 1333 CD1 LEU A 83 -0.678 3.858 9.182 1.00 51.32 C ATOM 1334 CD2 LEU A 83 -1.745 4.012 11.474 1.00 74.45 C ATOM 0 H LEU A 83 -3.426 6.828 9.217 1.00 22.24 H new ATOM 0 HA LEU A 83 -2.459 6.658 11.873 1.00 22.52 H new ATOM 0 HB2 LEU A 83 -1.142 6.504 9.127 1.00 12.20 H new ATOM 0 HB3 LEU A 83 -0.276 6.192 10.618 1.00 12.20 H new ATOM 0 HG LEU A 83 -2.655 4.580 9.620 1.00 72.14 H new ATOM 0 HD11 LEU A 83 -0.978 2.811 9.139 1.00 51.32 H new ATOM 0 HD12 LEU A 83 -0.683 4.278 8.176 1.00 51.32 H new ATOM 0 HD13 LEU A 83 0.326 3.931 9.601 1.00 51.32 H new ATOM 0 HD21 LEU A 83 -2.032 2.964 11.389 1.00 74.45 H new ATOM 0 HD22 LEU A 83 -0.773 4.083 11.961 1.00 74.45 H new ATOM 0 HD23 LEU A 83 -2.488 4.545 12.067 1.00 74.45 H new ATOM 1346 N LYS A 84 -1.544 9.302 10.098 1.00 52.32 N ATOM 1347 CA LYS A 84 -0.972 10.655 10.219 1.00 73.23 C ATOM 1348 C LYS A 84 -1.749 11.482 11.252 1.00 21.40 C ATOM 1349 O LYS A 84 -1.149 12.275 11.960 1.00 12.32 O ATOM 1350 CB LYS A 84 -0.910 11.404 8.855 1.00 70.14 C ATOM 1351 CG LYS A 84 0.143 10.858 7.864 1.00 11.45 C ATOM 1352 CD LYS A 84 0.325 11.774 6.629 1.00 65.44 C ATOM 1353 CE LYS A 84 -0.980 12.019 5.850 1.00 11.04 C ATOM 1354 NZ LYS A 84 -0.809 13.050 4.787 1.00 71.54 N ATOM 0 H LYS A 84 -1.943 9.096 9.182 1.00 52.32 H new ATOM 0 HA LYS A 84 0.056 10.532 10.561 1.00 73.23 H new ATOM 0 HB2 LYS A 84 -1.892 11.354 8.384 1.00 70.14 H new ATOM 0 HB3 LYS A 84 -0.700 12.457 9.044 1.00 70.14 H new ATOM 0 HG2 LYS A 84 1.099 10.751 8.377 1.00 11.45 H new ATOM 0 HG3 LYS A 84 -0.155 9.863 7.534 1.00 11.45 H new ATOM 0 HD2 LYS A 84 0.731 12.732 6.954 1.00 65.44 H new ATOM 0 HD3 LYS A 84 1.060 11.327 5.960 1.00 65.44 H new ATOM 0 HE2 LYS A 84 -1.314 11.085 5.399 1.00 11.04 H new ATOM 0 HE3 LYS A 84 -1.761 12.336 6.541 1.00 11.04 H new ATOM 0 HZ1 LYS A 84 -1.710 13.185 4.286 1.00 71.54 H new ATOM 0 HZ2 LYS A 84 -0.515 13.949 5.219 1.00 71.54 H new ATOM 0 HZ3 LYS A 84 -0.082 12.736 4.113 1.00 71.54 H new ATOM 1368 N ALA A 85 -3.074 11.262 11.342 1.00 55.32 N ATOM 1369 CA ALA A 85 -3.921 11.915 12.355 1.00 0.24 C ATOM 1370 C ALA A 85 -3.535 11.431 13.775 1.00 41.02 C ATOM 1371 O ALA A 85 -3.302 12.247 14.678 1.00 13.23 O ATOM 1372 CB ALA A 85 -5.400 11.641 12.057 1.00 74.31 C ATOM 0 H ALA A 85 -3.583 10.633 10.721 1.00 55.32 H new ATOM 0 HA ALA A 85 -3.759 12.992 12.315 1.00 0.24 H new ATOM 0 HB1 ALA A 85 -6.019 12.127 12.811 1.00 74.31 H new ATOM 0 HB2 ALA A 85 -5.652 12.034 11.072 1.00 74.31 H new ATOM 0 HB3 ALA A 85 -5.582 10.566 12.076 1.00 74.31 H new ATOM 1378 N GLU A 86 -3.439 10.088 13.928 1.00 44.32 N ATOM 1379 CA GLU A 86 -3.036 9.409 15.187 1.00 3.20 C ATOM 1380 C GLU A 86 -1.648 9.890 15.660 1.00 24.42 C ATOM 1381 O GLU A 86 -1.416 10.095 16.859 1.00 43.53 O ATOM 1382 CB GLU A 86 -2.989 7.866 14.970 1.00 41.45 C ATOM 1383 CG GLU A 86 -4.341 7.208 14.635 1.00 71.11 C ATOM 1384 CD GLU A 86 -4.209 5.720 14.248 1.00 3.12 C ATOM 1385 OE1 GLU A 86 -3.816 4.911 15.113 1.00 1.50 O ATOM 1386 OE2 GLU A 86 -4.497 5.348 13.089 1.00 11.44 O ATOM 0 H GLU A 86 -3.642 9.436 13.171 1.00 44.32 H new ATOM 0 HA GLU A 86 -3.774 9.657 15.949 1.00 3.20 H new ATOM 0 HB2 GLU A 86 -2.289 7.650 14.163 1.00 41.45 H new ATOM 0 HB3 GLU A 86 -2.590 7.401 15.871 1.00 41.45 H new ATOM 0 HG2 GLU A 86 -5.005 7.296 15.495 1.00 71.11 H new ATOM 0 HG3 GLU A 86 -4.809 7.751 13.814 1.00 71.11 H new