USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 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: B 1 ALA N :NH3+ -141:sc= 0.0773 (180deg=0) USER MOD Set 1.2: B 7 TYR OH : rot 150:sc= -0.0772 USER MOD Set 1.3: B 35 LYS NZ :NH3+ -156:sc= -0.861 (180deg=-2.07!) USER MOD Set 2.1: A 1 ALA N :NH3+ 139:sc= -5.14! (180deg=-6.51!) USER MOD Set 2.2: B 14 GLN : amide:sc= -0.1 K(o=-5.2,f=-6.1) USER MOD Single : A 2 ASN : amide:sc= -0.0115 X(o=-0.011,f=-0.21) USER MOD Single : A 7 TYR OH : rot 180:sc= -2.31! USER MOD Single : A 8 LYS NZ :NH3+ 143:sc= -0.303! (180deg=-2.27!) USER MOD Single : A 14 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.2!) USER MOD Single : A 17 LYS NZ :NH3+ -126:sc= -4.23! (180deg=-6.89!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -138:sc= -1.83 (180deg=-7.14!) USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= 1.19 (180deg=-0.28) USER MOD Single : A 36 GLN : amide:sc= -5.58! C(o=-5.6!,f=-2.8!) USER MOD Single : B 2 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.97!) USER MOD Single : B 8 LYS NZ :NH3+ -152:sc= -0.0869 (180deg=-0.538) USER MOD Single : B 17 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00342) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl 174:sc= -2.87 (180deg=-3.01) USER MOD Single : B 36 GLN : amide:sc= -3.82! C(o=-3.8!,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.053 -2.333 -0.640 1.00 42.31 N ATOM 2 CA ALA A 1 2.525 -1.056 -1.087 1.00 1.52 C ATOM 3 C ALA A 1 1.769 -1.252 -2.402 1.00 64.32 C ATOM 4 O ALA A 1 2.152 -0.698 -3.432 1.00 24.31 O ATOM 5 CB ALA A 1 3.668 -0.047 -1.217 1.00 23.23 C ATOM 0 H1 ALA A 1 4.015 -2.200 -0.267 1.00 42.31 H new ATOM 0 H2 ALA A 1 2.442 -2.719 0.108 1.00 42.31 H new ATOM 0 H3 ALA A 1 3.081 -2.996 -1.440 1.00 42.31 H new ATOM 0 HA ALA A 1 1.820 -0.658 -0.358 1.00 1.52 H new ATOM 0 HB1 ALA A 1 3.271 0.911 -1.553 1.00 23.23 H new ATOM 0 HB2 ALA A 1 4.153 0.080 -0.249 1.00 23.23 H new ATOM 0 HB3 ALA A 1 4.395 -0.412 -1.942 1.00 23.23 H new ATOM 11 N ASN A 2 0.710 -2.044 -2.326 1.00 42.55 N ATOM 12 CA ASN A 2 -0.103 -2.321 -3.499 1.00 25.24 C ATOM 13 C ASN A 2 0.784 -2.896 -4.604 1.00 43.05 C ATOM 14 O ASN A 2 1.461 -2.151 -5.312 1.00 31.13 O ATOM 15 CB ASN A 2 -0.755 -1.044 -4.032 1.00 20.32 C ATOM 16 CG ASN A 2 -2.192 -0.909 -3.523 1.00 41.41 C ATOM 17 OD1 ASN A 2 -3.005 -1.810 -3.637 1.00 33.31 O ATOM 18 ND2 ASN A 2 -2.457 0.265 -2.957 1.00 40.14 N ATOM 0 H ASN A 2 0.396 -2.503 -1.471 1.00 42.55 H new ATOM 0 HA ASN A 2 -0.880 -3.029 -3.211 1.00 25.24 H new ATOM 0 HB2 ASN A 2 -0.172 -0.177 -3.721 1.00 20.32 H new ATOM 0 HB3 ASN A 2 -0.751 -1.057 -5.122 1.00 20.32 H new ATOM 0 HD21 ASN A 2 -3.388 0.454 -2.586 1.00 40.14 H new ATOM 0 HD22 ASN A 2 -1.729 0.977 -2.894 1.00 40.14 H new ATOM 25 N GLU A 3 0.752 -4.215 -4.719 1.00 30.32 N ATOM 26 CA GLU A 3 1.545 -4.899 -5.727 1.00 41.33 C ATOM 27 C GLU A 3 1.441 -4.170 -7.069 1.00 15.22 C ATOM 28 O GLU A 3 0.456 -3.482 -7.330 1.00 14.43 O ATOM 29 CB GLU A 3 1.116 -6.361 -5.864 1.00 3.12 C ATOM 30 CG GLU A 3 1.275 -7.105 -4.536 1.00 11.30 C ATOM 31 CD GLU A 3 1.004 -8.601 -4.710 1.00 51.12 C ATOM 32 OE1 GLU A 3 0.110 -8.983 -5.479 1.00 20.12 O ATOM 33 OE2 GLU A 3 1.761 -9.377 -4.011 1.00 22.20 O ATOM 0 H GLU A 3 0.189 -4.829 -4.131 1.00 30.32 H new ATOM 0 HA GLU A 3 2.588 -4.889 -5.409 1.00 41.33 H new ATOM 0 HB2 GLU A 3 0.077 -6.410 -6.190 1.00 3.12 H new ATOM 0 HB3 GLU A 3 1.715 -6.849 -6.633 1.00 3.12 H new ATOM 0 HG2 GLU A 3 2.284 -6.957 -4.151 1.00 11.30 H new ATOM 0 HG3 GLU A 3 0.588 -6.691 -3.798 1.00 11.30 H new ATOM 40 N GLY A 4 2.471 -4.346 -7.883 1.00 42.41 N ATOM 41 CA GLY A 4 2.508 -3.713 -9.190 1.00 41.20 C ATOM 42 C GLY A 4 2.826 -2.221 -9.069 1.00 72.12 C ATOM 43 O GLY A 4 2.397 -1.422 -9.899 1.00 12.20 O ATOM 0 H GLY A 4 3.286 -4.918 -7.663 1.00 42.41 H new ATOM 0 HA2 GLY A 4 3.259 -4.199 -9.812 1.00 41.20 H new ATOM 0 HA3 GLY A 4 1.548 -3.844 -9.689 1.00 41.20 H new ATOM 47 N ASP A 5 3.575 -1.892 -8.027 1.00 44.42 N ATOM 48 CA ASP A 5 3.956 -0.510 -7.787 1.00 11.52 C ATOM 49 C ASP A 5 5.481 -0.391 -7.827 1.00 2.20 C ATOM 50 O ASP A 5 6.189 -1.385 -7.682 1.00 62.50 O ATOM 51 CB ASP A 5 3.482 -0.040 -6.410 1.00 14.02 C ATOM 52 CG ASP A 5 2.116 0.649 -6.396 1.00 72.53 C ATOM 53 OD1 ASP A 5 1.188 0.030 -7.045 1.00 52.01 O ATOM 54 OD2 ASP A 5 1.946 1.721 -5.797 1.00 63.15 O ATOM 0 H ASP A 5 3.928 -2.558 -7.340 1.00 44.42 H new ATOM 0 HA ASP A 5 3.494 0.106 -8.558 1.00 11.52 H new ATOM 0 HB2 ASP A 5 3.445 -0.901 -5.742 1.00 14.02 H new ATOM 0 HB3 ASP A 5 4.223 0.648 -6.003 1.00 14.02 H new ATOM 59 N VAL A 6 5.942 0.836 -8.026 1.00 73.03 N ATOM 60 CA VAL A 6 7.369 1.098 -8.087 1.00 62.54 C ATOM 61 C VAL A 6 7.732 2.172 -7.060 1.00 54.54 C ATOM 62 O VAL A 6 6.939 3.075 -6.796 1.00 13.12 O ATOM 63 CB VAL A 6 7.771 1.475 -9.515 1.00 12.41 C ATOM 64 CG1 VAL A 6 8.982 2.410 -9.514 1.00 52.45 C ATOM 65 CG2 VAL A 6 8.042 0.227 -10.357 1.00 52.52 C ATOM 0 H VAL A 6 5.352 1.659 -8.147 1.00 73.03 H new ATOM 0 HA VAL A 6 7.933 0.201 -7.831 1.00 62.54 H new ATOM 0 HB VAL A 6 6.936 2.009 -9.968 1.00 12.41 H new ATOM 0 HG11 VAL A 6 9.247 2.663 -10.541 1.00 52.45 H new ATOM 0 HG12 VAL A 6 8.738 3.321 -8.968 1.00 52.45 H new ATOM 0 HG13 VAL A 6 9.825 1.913 -9.033 1.00 52.45 H new ATOM 0 HG21 VAL A 6 8.326 0.524 -11.367 1.00 52.52 H new ATOM 0 HG22 VAL A 6 8.852 -0.347 -9.907 1.00 52.52 H new ATOM 0 HG23 VAL A 6 7.142 -0.386 -10.398 1.00 52.52 H new ATOM 75 N TYR A 7 8.929 2.039 -6.509 1.00 40.33 N ATOM 76 CA TYR A 7 9.405 2.988 -5.518 1.00 3.44 C ATOM 77 C TYR A 7 10.760 3.571 -5.922 1.00 53.35 C ATOM 78 O TYR A 7 11.699 2.830 -6.212 1.00 34.20 O ATOM 79 CB TYR A 7 9.573 2.193 -4.221 1.00 0.45 C ATOM 80 CG TYR A 7 8.338 2.209 -3.317 1.00 41.23 C ATOM 81 CD1 TYR A 7 7.321 1.298 -3.523 1.00 40.53 C ATOM 82 CD2 TYR A 7 8.241 3.133 -2.297 1.00 24.41 C ATOM 83 CE1 TYR A 7 6.159 1.313 -2.673 1.00 20.14 C ATOM 84 CE2 TYR A 7 7.079 3.147 -1.446 1.00 44.02 C ATOM 85 CZ TYR A 7 6.096 2.236 -1.677 1.00 14.51 C ATOM 86 OH TYR A 7 4.998 2.250 -0.873 1.00 70.22 O ATOM 0 H TYR A 7 9.583 1.288 -6.730 1.00 40.33 H new ATOM 0 HA TYR A 7 8.705 3.817 -5.414 1.00 3.44 H new ATOM 0 HB2 TYR A 7 9.816 1.160 -4.469 1.00 0.45 H new ATOM 0 HB3 TYR A 7 10.421 2.596 -3.667 1.00 0.45 H new ATOM 0 HD1 TYR A 7 7.397 0.575 -4.321 1.00 40.53 H new ATOM 0 HD2 TYR A 7 9.036 3.846 -2.137 1.00 24.41 H new ATOM 0 HE1 TYR A 7 5.356 0.607 -2.823 1.00 20.14 H new ATOM 0 HE2 TYR A 7 6.990 3.864 -0.643 1.00 44.02 H new ATOM 0 HH TYR A 7 5.091 2.961 -0.205 1.00 70.22 H new ATOM 96 N LYS A 8 10.820 4.895 -5.929 1.00 44.34 N ATOM 97 CA LYS A 8 12.046 5.587 -6.295 1.00 75.32 C ATOM 98 C LYS A 8 12.528 6.420 -5.106 1.00 43.25 C ATOM 99 O LYS A 8 11.733 7.085 -4.445 1.00 30.04 O ATOM 100 CB LYS A 8 11.840 6.401 -7.574 1.00 13.51 C ATOM 101 CG LYS A 8 12.827 7.568 -7.646 1.00 31.31 C ATOM 102 CD LYS A 8 14.244 7.070 -7.933 1.00 65.15 C ATOM 103 CE LYS A 8 14.977 8.019 -8.883 1.00 64.04 C ATOM 104 NZ LYS A 8 15.143 9.351 -8.259 1.00 43.23 N ATOM 0 H LYS A 8 10.041 5.507 -5.687 1.00 44.34 H new ATOM 0 HA LYS A 8 12.835 4.871 -6.525 1.00 75.32 H new ATOM 0 HB2 LYS A 8 11.969 5.757 -8.444 1.00 13.51 H new ATOM 0 HB3 LYS A 8 10.819 6.781 -7.607 1.00 13.51 H new ATOM 0 HG2 LYS A 8 12.517 8.263 -8.426 1.00 31.31 H new ATOM 0 HG3 LYS A 8 12.815 8.118 -6.705 1.00 31.31 H new ATOM 0 HD2 LYS A 8 14.799 6.984 -6.999 1.00 65.15 H new ATOM 0 HD3 LYS A 8 14.201 6.073 -8.371 1.00 65.15 H new ATOM 0 HE2 LYS A 8 15.953 7.606 -9.138 1.00 64.04 H new ATOM 0 HE3 LYS A 8 14.418 8.114 -9.814 1.00 64.04 H new ATOM 0 HZ1 LYS A 8 16.066 9.747 -8.527 1.00 43.23 H new ATOM 0 HZ2 LYS A 8 14.386 9.984 -8.586 1.00 43.23 H new ATOM 0 HZ3 LYS A 8 15.094 9.258 -7.224 1.00 43.23 H new ATOM 117 N CYS A 9 13.832 6.357 -4.872 1.00 33.43 N ATOM 118 CA CYS A 9 14.431 7.096 -3.774 1.00 41.33 C ATOM 119 C CYS A 9 14.637 8.543 -4.227 1.00 3.31 C ATOM 120 O CYS A 9 14.974 8.794 -5.383 1.00 61.33 O ATOM 121 CB CYS A 9 15.737 6.453 -3.304 1.00 41.15 C ATOM 122 SG CYS A 9 16.505 7.251 -1.845 1.00 12.13 S ATOM 0 H CYS A 9 14.489 5.806 -5.424 1.00 33.43 H new ATOM 0 HA CYS A 9 13.764 7.077 -2.912 1.00 41.33 H new ATOM 0 HB2 CYS A 9 15.546 5.406 -3.069 1.00 41.15 H new ATOM 0 HB3 CYS A 9 16.451 6.470 -4.128 1.00 41.15 H new ATOM 127 N GLU A 10 14.427 9.459 -3.292 1.00 62.33 N ATOM 128 CA GLU A 10 14.586 10.873 -3.581 1.00 11.04 C ATOM 129 C GLU A 10 15.943 11.368 -3.077 1.00 1.00 C ATOM 130 O GLU A 10 16.091 12.540 -2.731 1.00 64.41 O ATOM 131 CB GLU A 10 13.444 11.689 -2.971 1.00 4.33 C ATOM 132 CG GLU A 10 12.166 11.550 -3.801 1.00 44.32 C ATOM 133 CD GLU A 10 12.024 12.713 -4.786 1.00 4.01 C ATOM 134 OE1 GLU A 10 13.032 13.316 -5.184 1.00 4.04 O ATOM 135 OE2 GLU A 10 10.814 12.982 -5.139 1.00 52.21 O ATOM 0 H GLU A 10 14.148 9.248 -2.334 1.00 62.33 H new ATOM 0 HA GLU A 10 14.550 11.010 -4.662 1.00 11.04 H new ATOM 0 HB2 GLU A 10 13.257 11.354 -1.951 1.00 4.33 H new ATOM 0 HB3 GLU A 10 13.732 12.739 -2.914 1.00 4.33 H new ATOM 0 HG2 GLU A 10 12.183 10.606 -4.346 1.00 44.32 H new ATOM 0 HG3 GLU A 10 11.300 11.521 -3.140 1.00 44.32 H new ATOM 142 N LEU A 11 16.900 10.452 -3.052 1.00 21.14 N ATOM 143 CA LEU A 11 18.239 10.781 -2.596 1.00 65.50 C ATOM 144 C LEU A 11 19.258 10.299 -3.632 1.00 21.11 C ATOM 145 O LEU A 11 19.943 11.107 -4.255 1.00 44.22 O ATOM 146 CB LEU A 11 18.480 10.223 -1.192 1.00 34.22 C ATOM 147 CG LEU A 11 18.337 11.220 -0.041 1.00 1.24 C ATOM 148 CD1 LEU A 11 17.246 10.778 0.936 1.00 10.22 C ATOM 149 CD2 LEU A 11 19.679 11.444 0.661 1.00 61.43 C ATOM 0 H LEU A 11 16.774 9.482 -3.340 1.00 21.14 H new ATOM 0 HA LEU A 11 18.357 11.861 -2.509 1.00 65.50 H new ATOM 0 HB2 LEU A 11 17.783 9.402 -1.024 1.00 34.22 H new ATOM 0 HB3 LEU A 11 19.484 9.800 -1.158 1.00 34.22 H new ATOM 0 HG LEU A 11 18.027 12.179 -0.457 1.00 1.24 H new ATOM 0 HD11 LEU A 11 17.165 11.505 1.744 1.00 10.22 H new ATOM 0 HD12 LEU A 11 16.293 10.712 0.411 1.00 10.22 H new ATOM 0 HD13 LEU A 11 17.501 9.802 1.349 1.00 10.22 H new ATOM 0 HD21 LEU A 11 19.549 12.157 1.475 1.00 61.43 H new ATOM 0 HD22 LEU A 11 20.042 10.498 1.062 1.00 61.43 H new ATOM 0 HD23 LEU A 11 20.402 11.837 -0.054 1.00 61.43 H new ATOM 161 N CYS A 12 19.325 8.984 -3.782 1.00 13.01 N ATOM 162 CA CYS A 12 20.247 8.386 -4.731 1.00 63.12 C ATOM 163 C CYS A 12 19.532 8.249 -6.076 1.00 61.33 C ATOM 164 O CYS A 12 20.063 8.651 -7.110 1.00 61.30 O ATOM 165 CB CYS A 12 20.782 7.043 -4.230 1.00 63.43 C ATOM 166 SG CYS A 12 19.494 5.810 -3.815 1.00 42.44 S ATOM 0 H CYS A 12 18.755 8.317 -3.262 1.00 13.01 H new ATOM 0 HA CYS A 12 21.119 9.029 -4.849 1.00 63.12 H new ATOM 0 HB2 CYS A 12 21.436 6.621 -4.993 1.00 63.43 H new ATOM 0 HB3 CYS A 12 21.395 7.219 -3.346 1.00 63.43 H new ATOM 171 N GLY A 13 18.337 7.678 -6.020 1.00 0.42 N ATOM 172 CA GLY A 13 17.543 7.484 -7.221 1.00 51.00 C ATOM 173 C GLY A 13 17.331 5.995 -7.503 1.00 65.41 C ATOM 174 O GLY A 13 17.205 5.590 -8.657 1.00 35.01 O ATOM 0 H GLY A 13 17.900 7.344 -5.161 1.00 0.42 H new ATOM 0 HA2 GLY A 13 16.578 7.977 -7.107 1.00 51.00 H new ATOM 0 HA3 GLY A 13 18.041 7.951 -8.070 1.00 51.00 H new ATOM 178 N GLN A 14 17.300 5.221 -6.428 1.00 71.33 N ATOM 179 CA GLN A 14 17.106 3.786 -6.545 1.00 23.43 C ATOM 180 C GLN A 14 15.642 3.472 -6.860 1.00 62.35 C ATOM 181 O GLN A 14 14.741 3.915 -6.149 1.00 42.42 O ATOM 182 CB GLN A 14 17.561 3.065 -5.273 1.00 55.05 C ATOM 183 CG GLN A 14 17.198 1.580 -5.327 1.00 23.54 C ATOM 184 CD GLN A 14 18.375 0.713 -4.871 1.00 35.41 C ATOM 185 OE1 GLN A 14 18.844 -0.163 -5.579 1.00 34.33 O ATOM 186 NE2 GLN A 14 18.823 1.005 -3.654 1.00 1.13 N ATOM 0 H GLN A 14 17.406 5.561 -5.472 1.00 71.33 H new ATOM 0 HA GLN A 14 17.720 3.422 -7.369 1.00 23.43 H new ATOM 0 HB2 GLN A 14 18.639 3.176 -5.153 1.00 55.05 H new ATOM 0 HB3 GLN A 14 17.095 3.526 -4.402 1.00 55.05 H new ATOM 0 HG2 GLN A 14 16.333 1.390 -4.691 1.00 23.54 H new ATOM 0 HG3 GLN A 14 16.913 1.308 -6.343 1.00 23.54 H new ATOM 0 HE21 GLN A 14 18.384 1.751 -3.115 1.00 1.13 H new ATOM 0 HE22 GLN A 14 19.605 0.483 -3.260 1.00 1.13 H new ATOM 195 N VAL A 15 15.450 2.708 -7.925 1.00 43.45 N ATOM 196 CA VAL A 15 14.111 2.330 -8.344 1.00 15.25 C ATOM 197 C VAL A 15 13.920 0.828 -8.129 1.00 32.53 C ATOM 198 O VAL A 15 14.753 0.025 -8.548 1.00 2.40 O ATOM 199 CB VAL A 15 13.873 2.762 -9.792 1.00 74.40 C ATOM 200 CG1 VAL A 15 12.417 2.528 -10.202 1.00 30.32 C ATOM 201 CG2 VAL A 15 14.274 4.223 -10.001 1.00 53.13 C ATOM 0 H VAL A 15 16.200 2.340 -8.511 1.00 43.45 H new ATOM 0 HA VAL A 15 13.363 2.843 -7.740 1.00 15.25 H new ATOM 0 HB VAL A 15 14.504 2.147 -10.433 1.00 74.40 H new ATOM 0 HG11 VAL A 15 12.275 2.844 -11.236 1.00 30.32 H new ATOM 0 HG12 VAL A 15 12.179 1.468 -10.110 1.00 30.32 H new ATOM 0 HG13 VAL A 15 11.759 3.105 -9.553 1.00 30.32 H new ATOM 0 HG21 VAL A 15 14.095 4.505 -11.039 1.00 53.13 H new ATOM 0 HG22 VAL A 15 13.682 4.860 -9.345 1.00 53.13 H new ATOM 0 HG23 VAL A 15 15.332 4.347 -9.769 1.00 53.13 H new ATOM 211 N VAL A 16 12.818 0.490 -7.475 1.00 13.52 N ATOM 212 CA VAL A 16 12.506 -0.901 -7.198 1.00 62.50 C ATOM 213 C VAL A 16 11.031 -1.161 -7.510 1.00 2.11 C ATOM 214 O VAL A 16 10.208 -0.250 -7.439 1.00 53.03 O ATOM 215 CB VAL A 16 12.883 -1.246 -5.756 1.00 11.03 C ATOM 216 CG1 VAL A 16 14.106 -0.446 -5.302 1.00 51.43 C ATOM 217 CG2 VAL A 16 11.699 -1.022 -4.812 1.00 44.45 C ATOM 0 H VAL A 16 12.129 1.158 -7.129 1.00 13.52 H new ATOM 0 HA VAL A 16 13.094 -1.558 -7.839 1.00 62.50 H new ATOM 0 HB VAL A 16 13.144 -2.304 -5.721 1.00 11.03 H new ATOM 0 HG11 VAL A 16 14.352 -0.710 -4.274 1.00 51.43 H new ATOM 0 HG12 VAL A 16 14.952 -0.677 -5.949 1.00 51.43 H new ATOM 0 HG13 VAL A 16 13.885 0.620 -5.360 1.00 51.43 H new ATOM 0 HG21 VAL A 16 11.993 -1.274 -3.793 1.00 44.45 H new ATOM 0 HG22 VAL A 16 11.394 0.024 -4.853 1.00 44.45 H new ATOM 0 HG23 VAL A 16 10.866 -1.655 -5.117 1.00 44.45 H new ATOM 227 N LYS A 17 10.742 -2.409 -7.847 1.00 34.32 N ATOM 228 CA LYS A 17 9.379 -2.800 -8.169 1.00 62.33 C ATOM 229 C LYS A 17 8.822 -3.670 -7.041 1.00 2.24 C ATOM 230 O LYS A 17 9.282 -4.792 -6.832 1.00 52.32 O ATOM 231 CB LYS A 17 9.325 -3.470 -9.544 1.00 44.14 C ATOM 232 CG LYS A 17 8.233 -4.540 -9.591 1.00 31.13 C ATOM 233 CD LYS A 17 6.841 -3.908 -9.510 1.00 44.21 C ATOM 234 CE LYS A 17 6.224 -3.764 -10.902 1.00 14.21 C ATOM 235 NZ LYS A 17 5.004 -2.928 -10.842 1.00 54.43 N ATOM 0 H LYS A 17 11.427 -3.162 -7.904 1.00 34.32 H new ATOM 0 HA LYS A 17 8.738 -1.921 -8.241 1.00 62.33 H new ATOM 0 HB2 LYS A 17 9.136 -2.719 -10.311 1.00 44.14 H new ATOM 0 HB3 LYS A 17 10.291 -3.921 -9.771 1.00 44.14 H new ATOM 0 HG2 LYS A 17 8.322 -5.115 -10.513 1.00 31.13 H new ATOM 0 HG3 LYS A 17 8.368 -5.239 -8.765 1.00 31.13 H new ATOM 0 HD2 LYS A 17 6.194 -4.522 -8.883 1.00 44.21 H new ATOM 0 HD3 LYS A 17 6.909 -2.929 -9.035 1.00 44.21 H new ATOM 0 HE2 LYS A 17 6.947 -3.315 -11.583 1.00 14.21 H new ATOM 0 HE3 LYS A 17 5.979 -4.748 -11.302 1.00 14.21 H new ATOM 0 HZ1 LYS A 17 4.208 -3.444 -11.269 1.00 54.43 H new ATOM 0 HZ2 LYS A 17 4.782 -2.709 -9.850 1.00 54.43 H new ATOM 0 HZ3 LYS A 17 5.163 -2.043 -11.365 1.00 54.43 H new ATOM 248 N VAL A 18 7.841 -3.118 -6.342 1.00 24.43 N ATOM 249 CA VAL A 18 7.217 -3.830 -5.239 1.00 24.21 C ATOM 250 C VAL A 18 6.533 -5.091 -5.773 1.00 3.44 C ATOM 251 O VAL A 18 5.514 -5.006 -6.457 1.00 25.10 O ATOM 252 CB VAL A 18 6.258 -2.900 -4.492 1.00 22.22 C ATOM 253 CG1 VAL A 18 5.350 -3.693 -3.549 1.00 41.54 C ATOM 254 CG2 VAL A 18 7.026 -1.817 -3.732 1.00 42.10 C ATOM 0 H VAL A 18 7.463 -2.187 -6.518 1.00 24.43 H new ATOM 0 HA VAL A 18 7.968 -4.149 -4.516 1.00 24.21 H new ATOM 0 HB VAL A 18 5.626 -2.407 -5.230 1.00 22.22 H new ATOM 0 HG11 VAL A 18 4.678 -3.009 -3.030 1.00 41.54 H new ATOM 0 HG12 VAL A 18 4.765 -4.410 -4.125 1.00 41.54 H new ATOM 0 HG13 VAL A 18 5.960 -4.226 -2.819 1.00 41.54 H new ATOM 0 HG21 VAL A 18 6.321 -1.170 -3.210 1.00 42.10 H new ATOM 0 HG22 VAL A 18 7.694 -2.284 -3.009 1.00 42.10 H new ATOM 0 HG23 VAL A 18 7.611 -1.224 -4.435 1.00 42.10 H new ATOM 264 N LEU A 19 7.120 -6.230 -5.440 1.00 32.44 N ATOM 265 CA LEU A 19 6.580 -7.506 -5.877 1.00 10.11 C ATOM 266 C LEU A 19 5.383 -7.876 -5.000 1.00 15.23 C ATOM 267 O LEU A 19 4.277 -8.069 -5.503 1.00 20.33 O ATOM 268 CB LEU A 19 7.677 -8.573 -5.901 1.00 1.42 C ATOM 269 CG LEU A 19 8.151 -9.016 -7.286 1.00 25.25 C ATOM 270 CD1 LEU A 19 9.621 -8.650 -7.506 1.00 33.23 C ATOM 271 CD2 LEU A 19 7.894 -10.509 -7.501 1.00 24.34 C ATOM 0 H LEU A 19 7.965 -6.296 -4.872 1.00 32.44 H new ATOM 0 HA LEU A 19 6.215 -7.433 -6.902 1.00 10.11 H new ATOM 0 HB2 LEU A 19 8.537 -8.194 -5.348 1.00 1.42 H new ATOM 0 HB3 LEU A 19 7.315 -9.450 -5.365 1.00 1.42 H new ATOM 0 HG LEU A 19 7.570 -8.478 -8.035 1.00 25.25 H new ATOM 0 HD11 LEU A 19 9.933 -8.976 -8.498 1.00 33.23 H new ATOM 0 HD12 LEU A 19 9.743 -7.570 -7.424 1.00 33.23 H new ATOM 0 HD13 LEU A 19 10.235 -9.143 -6.753 1.00 33.23 H new ATOM 0 HD21 LEU A 19 8.240 -10.799 -8.493 1.00 24.34 H new ATOM 0 HD22 LEU A 19 8.432 -11.083 -6.747 1.00 24.34 H new ATOM 0 HD23 LEU A 19 6.826 -10.710 -7.416 1.00 24.34 H new ATOM 283 N GLU A 20 5.643 -7.962 -3.704 1.00 52.10 N ATOM 284 CA GLU A 20 4.600 -8.305 -2.752 1.00 21.21 C ATOM 285 C GLU A 20 4.728 -7.445 -1.493 1.00 35.55 C ATOM 286 O GLU A 20 5.709 -7.555 -0.759 1.00 43.31 O ATOM 287 CB GLU A 20 4.641 -9.795 -2.406 1.00 45.00 C ATOM 288 CG GLU A 20 5.647 -10.070 -1.287 1.00 1.21 C ATOM 289 CD GLU A 20 6.021 -11.553 -1.238 1.00 21.25 C ATOM 290 OE1 GLU A 20 6.585 -12.082 -2.207 1.00 63.31 O ATOM 291 OE2 GLU A 20 5.706 -12.159 -0.143 1.00 61.13 O ATOM 0 H GLU A 20 6.561 -7.800 -3.290 1.00 52.10 H new ATOM 0 HA GLU A 20 3.633 -8.100 -3.212 1.00 21.21 H new ATOM 0 HB2 GLU A 20 3.650 -10.128 -2.099 1.00 45.00 H new ATOM 0 HB3 GLU A 20 4.910 -10.370 -3.292 1.00 45.00 H new ATOM 0 HG2 GLU A 20 6.544 -9.470 -1.444 1.00 1.21 H new ATOM 0 HG3 GLU A 20 5.224 -9.766 -0.330 1.00 1.21 H new ATOM 298 N GLU A 21 3.722 -6.610 -1.280 1.00 31.44 N ATOM 299 CA GLU A 21 3.708 -5.733 -0.122 1.00 25.34 C ATOM 300 C GLU A 21 3.985 -6.533 1.154 1.00 53.11 C ATOM 301 O GLU A 21 3.838 -7.754 1.168 1.00 23.22 O ATOM 302 CB GLU A 21 2.381 -4.979 -0.019 1.00 64.13 C ATOM 303 CG GLU A 21 1.226 -5.940 0.268 1.00 1.50 C ATOM 304 CD GLU A 21 -0.124 -5.266 0.008 1.00 22.23 C ATOM 305 OE1 GLU A 21 -0.627 -4.646 1.022 1.00 53.20 O ATOM 306 OE2 GLU A 21 -0.650 -5.343 -1.112 1.00 1.14 O ATOM 0 H GLU A 21 2.910 -6.522 -1.891 1.00 31.44 H new ATOM 0 HA GLU A 21 4.499 -4.993 -0.243 1.00 25.34 H new ATOM 0 HB2 GLU A 21 2.443 -4.233 0.773 1.00 64.13 H new ATOM 0 HB3 GLU A 21 2.190 -4.443 -0.948 1.00 64.13 H new ATOM 0 HG2 GLU A 21 1.321 -6.826 -0.359 1.00 1.50 H new ATOM 0 HG3 GLU A 21 1.276 -6.276 1.304 1.00 1.50 H new ATOM 313 N GLY A 22 4.378 -5.812 2.193 1.00 42.03 N ATOM 314 CA GLY A 22 4.676 -6.440 3.469 1.00 41.00 C ATOM 315 C GLY A 22 3.969 -5.713 4.615 1.00 1.05 C ATOM 316 O GLY A 22 3.142 -6.299 5.311 1.00 75.24 O ATOM 0 H GLY A 22 4.497 -4.799 2.178 1.00 42.03 H new ATOM 0 HA2 GLY A 22 4.362 -7.484 3.447 1.00 41.00 H new ATOM 0 HA3 GLY A 22 5.753 -6.434 3.639 1.00 41.00 H new ATOM 320 N GLY A 23 4.322 -4.446 4.777 1.00 32.11 N ATOM 321 CA GLY A 23 3.732 -3.633 5.826 1.00 5.13 C ATOM 322 C GLY A 23 4.692 -2.526 6.268 1.00 24.14 C ATOM 323 O GLY A 23 4.269 -1.524 6.841 1.00 11.15 O ATOM 0 H GLY A 23 5.010 -3.963 4.199 1.00 32.11 H new ATOM 0 HA2 GLY A 23 2.802 -3.191 5.469 1.00 5.13 H new ATOM 0 HA3 GLY A 23 3.479 -4.262 6.680 1.00 5.13 H new ATOM 327 N GLY A 24 5.968 -2.747 5.986 1.00 54.05 N ATOM 328 CA GLY A 24 6.992 -1.781 6.347 1.00 33.31 C ATOM 329 C GLY A 24 7.286 -0.832 5.184 1.00 63.24 C ATOM 330 O GLY A 24 6.554 -0.810 4.196 1.00 60.32 O ATOM 0 H GLY A 24 6.316 -3.580 5.512 1.00 54.05 H new ATOM 0 HA2 GLY A 24 6.666 -1.208 7.215 1.00 33.31 H new ATOM 0 HA3 GLY A 24 7.905 -2.303 6.634 1.00 33.31 H new ATOM 334 N THR A 25 8.360 -0.071 5.340 1.00 74.15 N ATOM 335 CA THR A 25 8.759 0.878 4.314 1.00 22.41 C ATOM 336 C THR A 25 10.208 0.625 3.889 1.00 33.31 C ATOM 337 O THR A 25 10.942 -0.090 4.570 1.00 40.15 O ATOM 338 CB THR A 25 8.523 2.288 4.856 1.00 12.33 C ATOM 339 OG1 THR A 25 7.105 2.428 4.853 1.00 53.45 O ATOM 340 CG2 THR A 25 9.007 3.374 3.895 1.00 53.31 C ATOM 0 H THR A 25 8.965 -0.092 6.161 1.00 74.15 H new ATOM 0 HA THR A 25 8.162 0.758 3.410 1.00 22.41 H new ATOM 0 HB THR A 25 9.032 2.398 5.813 1.00 12.33 H new ATOM 0 HG1 THR A 25 6.863 3.315 5.192 1.00 53.45 H new ATOM 0 HG21 THR A 25 8.815 4.355 4.329 1.00 53.31 H new ATOM 0 HG22 THR A 25 10.077 3.256 3.722 1.00 53.31 H new ATOM 0 HG23 THR A 25 8.474 3.286 2.948 1.00 53.31 H new ATOM 348 N LEU A 26 10.574 1.224 2.766 1.00 3.10 N ATOM 349 CA LEU A 26 11.921 1.074 2.242 1.00 24.35 C ATOM 350 C LEU A 26 12.713 2.356 2.507 1.00 72.21 C ATOM 351 O LEU A 26 12.915 3.162 1.601 1.00 44.11 O ATOM 352 CB LEU A 26 11.881 0.669 0.768 1.00 73.45 C ATOM 353 CG LEU A 26 10.782 -0.320 0.374 1.00 74.30 C ATOM 354 CD1 LEU A 26 10.493 -0.249 -1.127 1.00 60.04 C ATOM 355 CD2 LEU A 26 11.135 -1.740 0.823 1.00 14.32 C ATOM 0 H LEU A 26 9.961 1.815 2.204 1.00 3.10 H new ATOM 0 HA LEU A 26 12.441 0.266 2.756 1.00 24.35 H new ATOM 0 HB2 LEU A 26 11.763 1.571 0.167 1.00 73.45 H new ATOM 0 HB3 LEU A 26 12.845 0.234 0.505 1.00 73.45 H new ATOM 0 HG LEU A 26 9.866 -0.037 0.892 1.00 74.30 H new ATOM 0 HD11 LEU A 26 9.708 -0.962 -1.381 1.00 60.04 H new ATOM 0 HD12 LEU A 26 10.167 0.758 -1.387 1.00 60.04 H new ATOM 0 HD13 LEU A 26 11.398 -0.492 -1.684 1.00 60.04 H new ATOM 0 HD21 LEU A 26 10.337 -2.423 0.531 1.00 14.32 H new ATOM 0 HD22 LEU A 26 12.068 -2.049 0.352 1.00 14.32 H new ATOM 0 HD23 LEU A 26 11.251 -1.761 1.907 1.00 14.32 H new ATOM 367 N VAL A 27 13.140 2.503 3.753 1.00 21.01 N ATOM 368 CA VAL A 27 13.906 3.673 4.148 1.00 43.43 C ATOM 369 C VAL A 27 15.308 3.587 3.543 1.00 10.43 C ATOM 370 O VAL A 27 16.140 2.806 4.003 1.00 72.50 O ATOM 371 CB VAL A 27 13.918 3.800 5.672 1.00 32.14 C ATOM 372 CG1 VAL A 27 14.722 5.025 6.114 1.00 54.44 C ATOM 373 CG2 VAL A 27 12.494 3.849 6.230 1.00 61.22 C ATOM 0 H VAL A 27 12.970 1.832 4.502 1.00 21.01 H new ATOM 0 HA VAL A 27 13.442 4.581 3.764 1.00 43.43 H new ATOM 0 HB VAL A 27 14.406 2.914 6.078 1.00 32.14 H new ATOM 0 HG11 VAL A 27 14.715 5.092 7.202 1.00 54.44 H new ATOM 0 HG12 VAL A 27 15.750 4.932 5.763 1.00 54.44 H new ATOM 0 HG13 VAL A 27 14.275 5.925 5.692 1.00 54.44 H new ATOM 0 HG21 VAL A 27 12.532 3.939 7.316 1.00 61.22 H new ATOM 0 HG22 VAL A 27 11.969 4.708 5.812 1.00 61.22 H new ATOM 0 HG23 VAL A 27 11.966 2.935 5.960 1.00 61.22 H new ATOM 383 N CYS A 28 15.529 4.402 2.522 1.00 4.23 N ATOM 384 CA CYS A 28 16.817 4.428 1.850 1.00 41.34 C ATOM 385 C CYS A 28 17.392 5.841 1.967 1.00 52.12 C ATOM 386 O CYS A 28 16.668 6.824 1.812 1.00 22.35 O ATOM 387 CB CYS A 28 16.704 3.977 0.392 1.00 51.30 C ATOM 388 SG CYS A 28 18.297 3.855 -0.499 1.00 44.42 S ATOM 0 H CYS A 28 14.838 5.049 2.144 1.00 4.23 H new ATOM 0 HA CYS A 28 17.494 3.721 2.329 1.00 41.34 H new ATOM 0 HB2 CYS A 28 16.213 3.004 0.364 1.00 51.30 H new ATOM 0 HB3 CYS A 28 16.058 4.675 -0.141 1.00 51.30 H new ATOM 393 N CYS A 29 18.687 5.898 2.240 1.00 10.23 N ATOM 394 CA CYS A 29 19.367 7.174 2.380 1.00 53.44 C ATOM 395 C CYS A 29 18.808 7.884 3.614 1.00 15.42 C ATOM 396 O CYS A 29 18.997 9.088 3.783 1.00 22.30 O ATOM 397 CB CYS A 29 19.230 8.030 1.119 1.00 74.41 C ATOM 398 SG CYS A 29 20.303 7.522 -0.273 1.00 25.10 S ATOM 0 H CYS A 29 19.284 5.081 2.368 1.00 10.23 H new ATOM 0 HA CYS A 29 20.436 7.006 2.512 1.00 53.44 H new ATOM 0 HB2 CYS A 29 18.192 8.001 0.788 1.00 74.41 H new ATOM 0 HB3 CYS A 29 19.455 9.066 1.374 1.00 74.41 H new ATOM 403 N GLY A 30 18.130 7.108 4.447 1.00 14.03 N ATOM 404 CA GLY A 30 17.541 7.647 5.661 1.00 2.11 C ATOM 405 C GLY A 30 16.211 8.342 5.364 1.00 11.21 C ATOM 406 O GLY A 30 15.725 9.132 6.172 1.00 30.14 O ATOM 0 H GLY A 30 17.975 6.110 4.305 1.00 14.03 H new ATOM 0 HA2 GLY A 30 17.383 6.843 6.380 1.00 2.11 H new ATOM 0 HA3 GLY A 30 18.231 8.355 6.121 1.00 2.11 H new ATOM 410 N GLU A 31 15.660 8.024 4.202 1.00 53.34 N ATOM 411 CA GLU A 31 14.396 8.609 3.788 1.00 31.22 C ATOM 412 C GLU A 31 13.479 7.532 3.202 1.00 42.30 C ATOM 413 O GLU A 31 13.885 6.784 2.315 1.00 73.33 O ATOM 414 CB GLU A 31 14.618 9.744 2.785 1.00 21.42 C ATOM 415 CG GLU A 31 13.544 10.823 2.932 1.00 51.23 C ATOM 416 CD GLU A 31 14.128 12.216 2.687 1.00 25.22 C ATOM 417 OE1 GLU A 31 15.038 12.644 3.413 1.00 35.42 O ATOM 418 OE2 GLU A 31 13.606 12.860 1.700 1.00 54.25 O ATOM 0 H GLU A 31 16.066 7.369 3.534 1.00 53.34 H new ATOM 0 HA GLU A 31 13.911 9.034 4.666 1.00 31.22 H new ATOM 0 HB2 GLU A 31 15.603 10.183 2.940 1.00 21.42 H new ATOM 0 HB3 GLU A 31 14.602 9.346 1.770 1.00 21.42 H new ATOM 0 HG2 GLU A 31 12.735 10.635 2.226 1.00 51.23 H new ATOM 0 HG3 GLU A 31 13.112 10.777 3.932 1.00 51.23 H new ATOM 425 N ASP A 32 12.262 7.490 3.723 1.00 20.41 N ATOM 426 CA ASP A 32 11.285 6.518 3.263 1.00 64.30 C ATOM 427 C ASP A 32 11.051 6.707 1.763 1.00 23.42 C ATOM 428 O ASP A 32 10.415 7.674 1.348 1.00 0.03 O ATOM 429 CB ASP A 32 9.945 6.702 3.978 1.00 24.34 C ATOM 430 CG ASP A 32 9.597 8.148 4.335 1.00 32.23 C ATOM 431 OD1 ASP A 32 10.103 8.702 5.322 1.00 5.21 O ATOM 432 OD2 ASP A 32 8.756 8.719 3.541 1.00 72.13 O ATOM 0 H ASP A 32 11.930 8.113 4.459 1.00 20.41 H new ATOM 0 HA ASP A 32 11.674 5.522 3.477 1.00 64.30 H new ATOM 0 HB2 ASP A 32 9.154 6.299 3.345 1.00 24.34 H new ATOM 0 HB3 ASP A 32 9.954 6.110 4.893 1.00 24.34 H new ATOM 437 N MET A 33 11.578 5.767 0.991 1.00 15.01 N ATOM 438 CA MET A 33 11.433 5.818 -0.454 1.00 44.33 C ATOM 439 C MET A 33 10.042 6.319 -0.849 1.00 61.30 C ATOM 440 O MET A 33 9.104 6.245 -0.057 1.00 32.00 O ATOM 441 CB MET A 33 11.660 4.424 -1.040 1.00 13.11 C ATOM 442 CG MET A 33 12.224 4.509 -2.459 1.00 54.42 C ATOM 443 SD MET A 33 12.879 2.924 -2.953 1.00 11.14 S ATOM 444 CE MET A 33 14.261 2.797 -1.830 1.00 34.31 C ATOM 0 H MET A 33 12.106 4.966 1.339 1.00 15.01 H new ATOM 0 HA MET A 33 12.174 6.513 -0.850 1.00 44.33 H new ATOM 0 HB2 MET A 33 12.348 3.867 -0.405 1.00 13.11 H new ATOM 0 HB3 MET A 33 10.719 3.873 -1.051 1.00 13.11 H new ATOM 0 HG2 MET A 33 11.442 4.820 -3.152 1.00 54.42 H new ATOM 0 HG3 MET A 33 13.008 5.265 -2.503 1.00 54.42 H new ATOM 0 HE1 MET A 33 15.127 2.403 -2.362 1.00 34.31 H new ATOM 0 HE2 MET A 33 14.498 3.784 -1.432 1.00 34.31 H new ATOM 0 HE3 MET A 33 14.003 2.127 -1.010 1.00 34.31 H new ATOM 454 N VAL A 34 9.954 6.817 -2.073 1.00 74.14 N ATOM 455 CA VAL A 34 8.693 7.329 -2.583 1.00 14.31 C ATOM 456 C VAL A 34 8.124 6.346 -3.608 1.00 44.44 C ATOM 457 O VAL A 34 8.852 5.509 -4.140 1.00 41.45 O ATOM 458 CB VAL A 34 8.891 8.737 -3.150 1.00 22.41 C ATOM 459 CG1 VAL A 34 9.921 9.518 -2.331 1.00 72.32 C ATOM 460 CG2 VAL A 34 9.291 8.682 -4.625 1.00 64.12 C ATOM 0 H VAL A 34 10.735 6.877 -2.727 1.00 74.14 H new ATOM 0 HA VAL A 34 7.963 7.417 -1.778 1.00 14.31 H new ATOM 0 HB VAL A 34 7.939 9.263 -3.080 1.00 22.41 H new ATOM 0 HG11 VAL A 34 10.043 10.515 -2.755 1.00 72.32 H new ATOM 0 HG12 VAL A 34 9.578 9.602 -1.300 1.00 72.32 H new ATOM 0 HG13 VAL A 34 10.877 8.995 -2.354 1.00 72.32 H new ATOM 0 HG21 VAL A 34 9.425 9.695 -5.004 1.00 64.12 H new ATOM 0 HG22 VAL A 34 10.225 8.129 -4.728 1.00 64.12 H new ATOM 0 HG23 VAL A 34 8.508 8.182 -5.196 1.00 64.12 H new ATOM 470 N LYS A 35 6.830 6.480 -3.854 1.00 62.24 N ATOM 471 CA LYS A 35 6.156 5.613 -4.806 1.00 53.12 C ATOM 472 C LYS A 35 5.898 6.389 -6.101 1.00 22.42 C ATOM 473 O LYS A 35 5.648 7.592 -6.068 1.00 41.24 O ATOM 474 CB LYS A 35 4.891 5.016 -4.186 1.00 45.11 C ATOM 475 CG LYS A 35 3.717 5.992 -4.286 1.00 62.04 C ATOM 476 CD LYS A 35 3.060 5.919 -5.667 1.00 3.12 C ATOM 477 CE LYS A 35 1.727 5.173 -5.600 1.00 15.33 C ATOM 478 NZ LYS A 35 1.666 4.124 -6.642 1.00 23.40 N ATOM 0 H LYS A 35 6.230 7.176 -3.411 1.00 62.24 H new ATOM 0 HA LYS A 35 6.789 4.763 -5.062 1.00 53.12 H new ATOM 0 HB2 LYS A 35 4.638 4.085 -4.693 1.00 45.11 H new ATOM 0 HB3 LYS A 35 5.076 4.770 -3.140 1.00 45.11 H new ATOM 0 HG2 LYS A 35 2.981 5.761 -3.516 1.00 62.04 H new ATOM 0 HG3 LYS A 35 4.066 7.007 -4.099 1.00 62.04 H new ATOM 0 HD2 LYS A 35 2.898 6.926 -6.051 1.00 3.12 H new ATOM 0 HD3 LYS A 35 3.728 5.415 -6.366 1.00 3.12 H new ATOM 0 HE2 LYS A 35 1.605 4.723 -4.615 1.00 15.33 H new ATOM 0 HE3 LYS A 35 0.904 5.875 -5.734 1.00 15.33 H new ATOM 0 HZ1 LYS A 35 0.678 3.983 -6.936 1.00 23.40 H new ATOM 0 HZ2 LYS A 35 2.233 4.417 -7.463 1.00 23.40 H new ATOM 0 HZ3 LYS A 35 2.044 3.233 -6.260 1.00 23.40 H new ATOM 491 N GLN A 36 5.969 5.666 -7.209 1.00 73.44 N ATOM 492 CA GLN A 36 5.747 6.270 -8.512 1.00 53.21 C ATOM 493 C GLN A 36 4.369 5.878 -9.051 1.00 24.40 C ATOM 494 O GLN A 36 3.356 6.449 -8.649 1.00 71.34 O ATOM 495 CB GLN A 36 6.852 5.877 -9.494 1.00 74.43 C ATOM 496 CG GLN A 36 8.224 5.919 -8.821 1.00 3.43 C ATOM 497 CD GLN A 36 8.690 7.363 -8.616 1.00 4.04 C ATOM 498 OE1 GLN A 36 9.238 7.997 -9.503 1.00 1.05 O ATOM 499 NE2 GLN A 36 8.444 7.843 -7.400 1.00 54.43 N ATOM 0 H GLN A 36 6.177 4.668 -7.231 1.00 73.44 H new ATOM 0 HA GLN A 36 5.776 7.354 -8.398 1.00 53.21 H new ATOM 0 HB2 GLN A 36 6.662 4.875 -9.878 1.00 74.43 H new ATOM 0 HB3 GLN A 36 6.841 6.554 -10.349 1.00 74.43 H new ATOM 0 HG2 GLN A 36 8.177 5.408 -7.859 1.00 3.43 H new ATOM 0 HG3 GLN A 36 8.950 5.382 -9.432 1.00 3.43 H new ATOM 0 HE21 GLN A 36 7.981 7.258 -6.705 1.00 54.43 H new ATOM 0 HE22 GLN A 36 8.718 8.796 -7.163 1.00 54.43 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 23.192 -3.708 -4.383 1.00 0.31 N ATOM 510 CA ALA B 1 22.061 -4.126 -5.194 1.00 4.54 C ATOM 511 C ALA B 1 22.463 -4.105 -6.670 1.00 4.42 C ATOM 512 O ALA B 1 23.561 -3.669 -7.012 1.00 54.54 O ATOM 513 CB ALA B 1 20.862 -3.220 -4.903 1.00 22.01 C ATOM 0 H1 ALA B 1 23.229 -4.282 -3.517 1.00 0.31 H new ATOM 0 H2 ALA B 1 24.072 -3.837 -4.922 1.00 0.31 H new ATOM 0 H3 ALA B 1 23.085 -2.705 -4.129 1.00 0.31 H new ATOM 0 HA ALA B 1 21.767 -5.146 -4.947 1.00 4.54 H new ATOM 0 HB1 ALA B 1 20.013 -3.533 -5.511 1.00 22.01 H new ATOM 0 HB2 ALA B 1 20.599 -3.293 -3.848 1.00 22.01 H new ATOM 0 HB3 ALA B 1 21.119 -2.188 -5.143 1.00 22.01 H new ATOM 519 N ASN B 2 21.552 -4.582 -7.506 1.00 11.04 N ATOM 520 CA ASN B 2 21.797 -4.624 -8.936 1.00 63.54 C ATOM 521 C ASN B 2 20.480 -4.885 -9.668 1.00 55.23 C ATOM 522 O ASN B 2 19.669 -5.697 -9.224 1.00 34.13 O ATOM 523 CB ASN B 2 22.768 -5.749 -9.296 1.00 25.51 C ATOM 524 CG ASN B 2 24.008 -5.200 -10.005 1.00 43.33 C ATOM 525 OD1 ASN B 2 24.438 -4.080 -9.779 1.00 52.03 O ATOM 526 ND2 ASN B 2 24.557 -6.047 -10.871 1.00 53.42 N ATOM 0 H ASN B 2 20.642 -4.943 -7.219 1.00 11.04 H new ATOM 0 HA ASN B 2 22.228 -3.667 -9.232 1.00 63.54 H new ATOM 0 HB2 ASN B 2 23.067 -6.279 -8.392 1.00 25.51 H new ATOM 0 HB3 ASN B 2 22.268 -6.473 -9.939 1.00 25.51 H new ATOM 0 HD21 ASN B 2 25.389 -5.774 -11.394 1.00 53.42 H new ATOM 0 HD22 ASN B 2 24.146 -6.970 -11.012 1.00 53.42 H new ATOM 533 N GLU B 3 20.306 -4.182 -10.778 1.00 21.31 N ATOM 534 CA GLU B 3 19.100 -4.328 -11.575 1.00 51.24 C ATOM 535 C GLU B 3 18.713 -5.803 -11.687 1.00 51.21 C ATOM 536 O GLU B 3 19.501 -6.622 -12.158 1.00 32.24 O ATOM 537 CB GLU B 3 19.280 -3.701 -12.960 1.00 21.15 C ATOM 538 CG GLU B 3 17.983 -3.778 -13.769 1.00 23.42 C ATOM 539 CD GLU B 3 17.946 -2.696 -14.850 1.00 5.10 C ATOM 540 OE1 GLU B 3 18.997 -2.139 -15.205 1.00 75.01 O ATOM 541 OE2 GLU B 3 16.775 -2.440 -15.326 1.00 62.41 O ATOM 0 H GLU B 3 20.980 -3.510 -11.144 1.00 21.31 H new ATOM 0 HA GLU B 3 18.290 -3.798 -11.074 1.00 51.24 H new ATOM 0 HB2 GLU B 3 19.586 -2.660 -12.855 1.00 21.15 H new ATOM 0 HB3 GLU B 3 20.078 -4.216 -13.495 1.00 21.15 H new ATOM 0 HG2 GLU B 3 17.896 -4.762 -14.231 1.00 23.42 H new ATOM 0 HG3 GLU B 3 17.128 -3.662 -13.103 1.00 23.42 H new ATOM 548 N GLY B 4 17.499 -6.098 -11.246 1.00 75.20 N ATOM 549 CA GLY B 4 16.997 -7.461 -11.291 1.00 32.33 C ATOM 550 C GLY B 4 17.056 -8.113 -9.907 1.00 65.11 C ATOM 551 O GLY B 4 16.349 -9.083 -9.643 1.00 54.02 O ATOM 0 H GLY B 4 16.848 -5.416 -10.856 1.00 75.20 H new ATOM 0 HA2 GLY B 4 15.969 -7.462 -11.654 1.00 32.33 H new ATOM 0 HA3 GLY B 4 17.585 -8.046 -11.998 1.00 32.33 H new ATOM 555 N ASP B 5 17.909 -7.553 -9.061 1.00 35.10 N ATOM 556 CA ASP B 5 18.070 -8.067 -7.712 1.00 13.33 C ATOM 557 C ASP B 5 16.706 -8.103 -7.018 1.00 12.03 C ATOM 558 O ASP B 5 15.771 -7.429 -7.445 1.00 13.40 O ATOM 559 CB ASP B 5 18.996 -7.171 -6.888 1.00 13.05 C ATOM 560 CG ASP B 5 20.480 -7.536 -6.959 1.00 53.11 C ATOM 561 OD1 ASP B 5 21.002 -7.469 -8.137 1.00 33.11 O ATOM 562 OD2 ASP B 5 21.106 -7.867 -5.942 1.00 30.45 O ATOM 0 H ASP B 5 18.495 -6.749 -9.284 1.00 35.10 H new ATOM 0 HA ASP B 5 18.502 -9.065 -7.781 1.00 13.33 H new ATOM 0 HB2 ASP B 5 18.874 -6.141 -7.224 1.00 13.05 H new ATOM 0 HB3 ASP B 5 18.678 -7.206 -5.846 1.00 13.05 H new ATOM 567 N VAL B 6 16.637 -8.896 -5.958 1.00 64.03 N ATOM 568 CA VAL B 6 15.404 -9.028 -5.201 1.00 25.20 C ATOM 569 C VAL B 6 15.704 -8.852 -3.712 1.00 21.43 C ATOM 570 O VAL B 6 16.680 -9.402 -3.203 1.00 33.45 O ATOM 571 CB VAL B 6 14.735 -10.367 -5.522 1.00 52.53 C ATOM 572 CG1 VAL B 6 13.778 -10.782 -4.402 1.00 71.05 C ATOM 573 CG2 VAL B 6 14.010 -10.307 -6.869 1.00 31.14 C ATOM 0 H VAL B 6 17.415 -9.453 -5.606 1.00 64.03 H new ATOM 0 HA VAL B 6 14.696 -8.249 -5.484 1.00 25.20 H new ATOM 0 HB VAL B 6 15.515 -11.125 -5.595 1.00 52.53 H new ATOM 0 HG11 VAL B 6 13.315 -11.736 -4.654 1.00 71.05 H new ATOM 0 HG12 VAL B 6 14.332 -10.882 -3.469 1.00 71.05 H new ATOM 0 HG13 VAL B 6 13.004 -10.023 -4.285 1.00 71.05 H new ATOM 0 HG21 VAL B 6 13.543 -11.270 -7.074 1.00 31.14 H new ATOM 0 HG22 VAL B 6 13.244 -9.532 -6.836 1.00 31.14 H new ATOM 0 HG23 VAL B 6 14.726 -10.076 -7.658 1.00 31.14 H new ATOM 583 N TYR B 7 14.848 -8.083 -3.055 1.00 23.22 N ATOM 584 CA TYR B 7 15.010 -7.828 -1.634 1.00 11.32 C ATOM 585 C TYR B 7 13.741 -8.199 -0.862 1.00 61.14 C ATOM 586 O TYR B 7 12.649 -7.747 -1.203 1.00 50.11 O ATOM 587 CB TYR B 7 15.252 -6.323 -1.501 1.00 32.33 C ATOM 588 CG TYR B 7 16.728 -5.924 -1.545 1.00 41.34 C ATOM 589 CD1 TYR B 7 17.510 -6.043 -0.415 1.00 64.11 C ATOM 590 CD2 TYR B 7 17.278 -5.444 -2.717 1.00 11.03 C ATOM 591 CE1 TYR B 7 18.900 -5.668 -0.457 1.00 52.55 C ATOM 592 CE2 TYR B 7 18.667 -5.068 -2.759 1.00 63.40 C ATOM 593 CZ TYR B 7 19.410 -5.199 -1.628 1.00 14.35 C ATOM 594 OH TYR B 7 20.722 -4.844 -1.667 1.00 55.44 O ATOM 0 H TYR B 7 14.040 -7.628 -3.481 1.00 23.22 H new ATOM 0 HA TYR B 7 15.830 -8.421 -1.228 1.00 11.32 H new ATOM 0 HB2 TYR B 7 14.723 -5.808 -2.303 1.00 32.33 H new ATOM 0 HB3 TYR B 7 14.821 -5.978 -0.561 1.00 32.33 H new ATOM 0 HD1 TYR B 7 17.080 -6.418 0.502 1.00 64.11 H new ATOM 0 HD2 TYR B 7 16.666 -5.351 -3.602 1.00 11.03 H new ATOM 0 HE1 TYR B 7 19.523 -5.757 0.421 1.00 52.55 H new ATOM 0 HE2 TYR B 7 19.109 -4.690 -3.669 1.00 63.40 H new ATOM 0 HH TYR B 7 21.073 -4.988 -2.570 1.00 55.44 H new ATOM 604 N LYS B 8 13.929 -9.018 0.162 1.00 54.12 N ATOM 605 CA LYS B 8 12.812 -9.454 0.985 1.00 64.25 C ATOM 606 C LYS B 8 13.090 -9.094 2.445 1.00 61.32 C ATOM 607 O LYS B 8 14.178 -9.354 2.956 1.00 3.20 O ATOM 608 CB LYS B 8 12.531 -10.941 0.760 1.00 52.22 C ATOM 609 CG LYS B 8 11.733 -11.530 1.925 1.00 64.35 C ATOM 610 CD LYS B 8 10.509 -12.294 1.420 1.00 74.55 C ATOM 611 CE LYS B 8 10.228 -13.520 2.292 1.00 23.42 C ATOM 612 NZ LYS B 8 11.317 -14.514 2.154 1.00 60.52 N ATOM 0 H LYS B 8 14.836 -9.391 0.441 1.00 54.12 H new ATOM 0 HA LYS B 8 11.899 -8.933 0.697 1.00 64.25 H new ATOM 0 HB2 LYS B 8 11.977 -11.074 -0.169 1.00 52.22 H new ATOM 0 HB3 LYS B 8 13.472 -11.480 0.650 1.00 52.22 H new ATOM 0 HG2 LYS B 8 12.369 -12.198 2.505 1.00 64.35 H new ATOM 0 HG3 LYS B 8 11.416 -10.730 2.595 1.00 64.35 H new ATOM 0 HD2 LYS B 8 9.640 -11.636 1.421 1.00 74.55 H new ATOM 0 HD3 LYS B 8 10.671 -12.607 0.389 1.00 74.55 H new ATOM 0 HE2 LYS B 8 10.133 -13.218 3.335 1.00 23.42 H new ATOM 0 HE3 LYS B 8 9.278 -13.970 2.003 1.00 23.42 H new ATOM 0 HZ1 LYS B 8 10.941 -15.468 2.328 1.00 60.52 H new ATOM 0 HZ2 LYS B 8 11.710 -14.467 1.192 1.00 60.52 H new ATOM 0 HZ3 LYS B 8 12.066 -14.306 2.845 1.00 60.52 H new ATOM 625 N CYS B 9 12.087 -8.502 3.077 1.00 34.41 N ATOM 626 CA CYS B 9 12.209 -8.104 4.468 1.00 31.13 C ATOM 627 C CYS B 9 12.135 -9.362 5.336 1.00 24.41 C ATOM 628 O CYS B 9 11.514 -10.352 4.951 1.00 12.10 O ATOM 629 CB CYS B 9 11.143 -7.079 4.860 1.00 51.13 C ATOM 630 SG CYS B 9 11.260 -6.468 6.582 1.00 1.34 S ATOM 0 H CYS B 9 11.186 -8.288 2.650 1.00 34.41 H new ATOM 0 HA CYS B 9 13.168 -7.611 4.624 1.00 31.13 H new ATOM 0 HB2 CYS B 9 11.211 -6.228 4.182 1.00 51.13 H new ATOM 0 HB3 CYS B 9 10.159 -7.525 4.714 1.00 51.13 H new ATOM 635 N GLU B 10 12.781 -9.284 6.491 1.00 33.31 N ATOM 636 CA GLU B 10 12.796 -10.405 7.416 1.00 11.40 C ATOM 637 C GLU B 10 11.833 -10.148 8.577 1.00 33.22 C ATOM 638 O GLU B 10 12.073 -10.594 9.698 1.00 51.22 O ATOM 639 CB GLU B 10 14.213 -10.671 7.929 1.00 73.43 C ATOM 640 CG GLU B 10 14.984 -11.575 6.964 1.00 34.04 C ATOM 641 CD GLU B 10 15.025 -13.016 7.476 1.00 44.13 C ATOM 642 OE1 GLU B 10 14.134 -13.432 8.231 1.00 1.42 O ATOM 643 OE2 GLU B 10 16.029 -13.713 7.062 1.00 33.03 O ATOM 0 H GLU B 10 13.297 -8.463 6.807 1.00 33.31 H new ATOM 0 HA GLU B 10 12.463 -11.296 6.883 1.00 11.40 H new ATOM 0 HB2 GLU B 10 14.743 -9.726 8.050 1.00 73.43 H new ATOM 0 HB3 GLU B 10 14.166 -11.139 8.912 1.00 73.43 H new ATOM 0 HG2 GLU B 10 14.514 -11.548 5.981 1.00 34.04 H new ATOM 0 HG3 GLU B 10 16.000 -11.200 6.842 1.00 34.04 H new ATOM 650 N LEU B 11 10.762 -9.432 8.267 1.00 3.35 N ATOM 651 CA LEU B 11 9.761 -9.110 9.270 1.00 34.42 C ATOM 652 C LEU B 11 8.370 -9.169 8.635 1.00 23.22 C ATOM 653 O LEU B 11 7.638 -10.140 8.822 1.00 3.13 O ATOM 654 CB LEU B 11 10.077 -7.769 9.933 1.00 11.42 C ATOM 655 CG LEU B 11 9.080 -7.291 10.991 1.00 5.35 C ATOM 656 CD1 LEU B 11 8.620 -8.453 11.874 1.00 12.21 C ATOM 657 CD2 LEU B 11 9.664 -6.141 11.815 1.00 71.32 C ATOM 0 H LEU B 11 10.566 -9.066 7.335 1.00 3.35 H new ATOM 0 HA LEU B 11 9.777 -9.847 10.073 1.00 34.42 H new ATOM 0 HB2 LEU B 11 11.062 -7.838 10.396 1.00 11.42 H new ATOM 0 HB3 LEU B 11 10.143 -7.008 9.155 1.00 11.42 H new ATOM 0 HG LEU B 11 8.198 -6.905 10.480 1.00 5.35 H new ATOM 0 HD11 LEU B 11 7.912 -8.087 12.618 1.00 12.21 H new ATOM 0 HD12 LEU B 11 8.138 -9.211 11.256 1.00 12.21 H new ATOM 0 HD13 LEU B 11 9.482 -8.890 12.378 1.00 12.21 H new ATOM 0 HD21 LEU B 11 8.935 -5.820 12.559 1.00 71.32 H new ATOM 0 HD22 LEU B 11 10.571 -6.477 12.317 1.00 71.32 H new ATOM 0 HD23 LEU B 11 9.902 -5.306 11.156 1.00 71.32 H new ATOM 669 N CYS B 12 8.048 -8.119 7.895 1.00 2.20 N ATOM 670 CA CYS B 12 6.758 -8.039 7.230 1.00 2.15 C ATOM 671 C CYS B 12 6.745 -9.053 6.086 1.00 71.12 C ATOM 672 O CYS B 12 5.747 -9.740 5.871 1.00 30.12 O ATOM 673 CB CYS B 12 6.462 -6.620 6.739 1.00 32.21 C ATOM 674 SG CYS B 12 7.743 -5.903 5.648 1.00 44.14 S ATOM 0 H CYS B 12 8.658 -7.316 7.741 1.00 2.20 H new ATOM 0 HA CYS B 12 5.965 -8.281 7.938 1.00 2.15 H new ATOM 0 HB2 CYS B 12 5.512 -6.626 6.205 1.00 32.21 H new ATOM 0 HB3 CYS B 12 6.337 -5.970 7.605 1.00 32.21 H new ATOM 679 N GLY B 13 7.864 -9.117 5.379 1.00 2.43 N ATOM 680 CA GLY B 13 7.993 -10.036 4.261 1.00 3.44 C ATOM 681 C GLY B 13 7.778 -9.313 2.930 1.00 74.10 C ATOM 682 O GLY B 13 7.276 -9.903 1.974 1.00 43.12 O ATOM 0 H GLY B 13 8.690 -8.547 5.559 1.00 2.43 H new ATOM 0 HA2 GLY B 13 8.982 -10.494 4.274 1.00 3.44 H new ATOM 0 HA3 GLY B 13 7.267 -10.842 4.363 1.00 3.44 H new ATOM 686 N GLN B 14 8.168 -8.047 2.910 1.00 20.23 N ATOM 687 CA GLN B 14 8.024 -7.238 1.711 1.00 31.34 C ATOM 688 C GLN B 14 9.104 -7.605 0.692 1.00 52.45 C ATOM 689 O GLN B 14 10.296 -7.506 0.981 1.00 33.02 O ATOM 690 CB GLN B 14 8.070 -5.747 2.048 1.00 61.11 C ATOM 691 CG GLN B 14 8.034 -4.897 0.776 1.00 12.35 C ATOM 692 CD GLN B 14 7.173 -3.647 0.977 1.00 52.14 C ATOM 693 OE1 GLN B 14 6.315 -3.318 0.174 1.00 64.12 O ATOM 694 NE2 GLN B 14 7.449 -2.973 2.089 1.00 3.12 N ATOM 0 H GLN B 14 8.584 -7.561 3.705 1.00 20.23 H new ATOM 0 HA GLN B 14 7.050 -7.446 1.269 1.00 31.34 H new ATOM 0 HB2 GLN B 14 7.225 -5.488 2.687 1.00 61.11 H new ATOM 0 HB3 GLN B 14 8.976 -5.526 2.612 1.00 61.11 H new ATOM 0 HG2 GLN B 14 9.047 -4.605 0.501 1.00 12.35 H new ATOM 0 HG3 GLN B 14 7.637 -5.488 -0.050 1.00 12.35 H new ATOM 0 HE21 GLN B 14 8.180 -3.304 2.718 1.00 3.12 H new ATOM 0 HE22 GLN B 14 6.929 -2.124 2.313 1.00 3.12 H new ATOM 703 N VAL B 15 8.649 -8.019 -0.482 1.00 42.13 N ATOM 704 CA VAL B 15 9.562 -8.400 -1.547 1.00 33.14 C ATOM 705 C VAL B 15 9.498 -7.357 -2.664 1.00 22.12 C ATOM 706 O VAL B 15 8.415 -7.008 -3.131 1.00 0.31 O ATOM 707 CB VAL B 15 9.240 -9.815 -2.031 1.00 34.25 C ATOM 708 CG1 VAL B 15 10.185 -10.238 -3.156 1.00 44.22 C ATOM 709 CG2 VAL B 15 9.285 -10.815 -0.872 1.00 43.41 C ATOM 0 H VAL B 15 7.660 -8.099 -0.719 1.00 42.13 H new ATOM 0 HA VAL B 15 10.588 -8.422 -1.181 1.00 33.14 H new ATOM 0 HB VAL B 15 8.226 -9.809 -2.430 1.00 34.25 H new ATOM 0 HG11 VAL B 15 9.934 -11.248 -3.482 1.00 44.22 H new ATOM 0 HG12 VAL B 15 10.082 -9.550 -3.995 1.00 44.22 H new ATOM 0 HG13 VAL B 15 11.213 -10.218 -2.794 1.00 44.22 H new ATOM 0 HG21 VAL B 15 9.052 -11.813 -1.243 1.00 43.41 H new ATOM 0 HG22 VAL B 15 10.281 -10.815 -0.430 1.00 43.41 H new ATOM 0 HG23 VAL B 15 8.553 -10.529 -0.116 1.00 43.41 H new ATOM 719 N VAL B 16 10.673 -6.889 -3.061 1.00 22.52 N ATOM 720 CA VAL B 16 10.764 -5.894 -4.116 1.00 31.25 C ATOM 721 C VAL B 16 11.972 -6.205 -5.001 1.00 74.32 C ATOM 722 O VAL B 16 13.050 -6.521 -4.499 1.00 53.12 O ATOM 723 CB VAL B 16 10.815 -4.492 -3.507 1.00 2.40 C ATOM 724 CG1 VAL B 16 9.876 -4.381 -2.303 1.00 71.13 C ATOM 725 CG2 VAL B 16 12.246 -4.112 -3.123 1.00 3.33 C ATOM 0 H VAL B 16 11.569 -7.181 -2.671 1.00 22.52 H new ATOM 0 HA VAL B 16 9.879 -5.927 -4.751 1.00 31.25 H new ATOM 0 HB VAL B 16 10.473 -3.786 -4.264 1.00 2.40 H new ATOM 0 HG11 VAL B 16 9.932 -3.374 -1.889 1.00 71.13 H new ATOM 0 HG12 VAL B 16 8.853 -4.587 -2.619 1.00 71.13 H new ATOM 0 HG13 VAL B 16 10.173 -5.103 -1.542 1.00 71.13 H new ATOM 0 HG21 VAL B 16 12.253 -3.111 -2.693 1.00 3.33 H new ATOM 0 HG22 VAL B 16 12.628 -4.824 -2.392 1.00 3.33 H new ATOM 0 HG23 VAL B 16 12.878 -4.130 -4.011 1.00 3.33 H new ATOM 735 N LYS B 17 11.752 -6.105 -6.303 1.00 54.34 N ATOM 736 CA LYS B 17 12.808 -6.371 -7.264 1.00 64.33 C ATOM 737 C LYS B 17 13.430 -5.047 -7.714 1.00 23.43 C ATOM 738 O LYS B 17 12.761 -4.225 -8.339 1.00 61.10 O ATOM 739 CB LYS B 17 12.281 -7.227 -8.418 1.00 54.34 C ATOM 740 CG LYS B 17 13.279 -7.259 -9.578 1.00 20.40 C ATOM 741 CD LYS B 17 12.968 -6.163 -10.600 1.00 32.55 C ATOM 742 CE LYS B 17 13.325 -6.618 -12.016 1.00 42.33 C ATOM 743 NZ LYS B 17 14.024 -5.537 -12.747 1.00 24.13 N ATOM 0 H LYS B 17 10.857 -5.843 -6.715 1.00 54.34 H new ATOM 0 HA LYS B 17 13.603 -6.956 -6.802 1.00 64.33 H new ATOM 0 HB2 LYS B 17 12.094 -8.242 -8.067 1.00 54.34 H new ATOM 0 HB3 LYS B 17 11.328 -6.829 -8.765 1.00 54.34 H new ATOM 0 HG2 LYS B 17 14.291 -7.128 -9.195 1.00 20.40 H new ATOM 0 HG3 LYS B 17 13.246 -8.234 -10.064 1.00 20.40 H new ATOM 0 HD2 LYS B 17 11.910 -5.906 -10.553 1.00 32.55 H new ATOM 0 HD3 LYS B 17 13.527 -5.260 -10.352 1.00 32.55 H new ATOM 0 HE2 LYS B 17 13.959 -7.503 -11.971 1.00 42.33 H new ATOM 0 HE3 LYS B 17 12.419 -6.901 -12.552 1.00 42.33 H new ATOM 0 HZ1 LYS B 17 14.229 -5.850 -13.717 1.00 24.13 H new ATOM 0 HZ2 LYS B 17 13.420 -4.691 -12.777 1.00 24.13 H new ATOM 0 HZ3 LYS B 17 14.915 -5.309 -12.261 1.00 24.13 H new ATOM 756 N VAL B 18 14.701 -4.883 -7.378 1.00 12.53 N ATOM 757 CA VAL B 18 15.419 -3.673 -7.740 1.00 1.34 C ATOM 758 C VAL B 18 15.598 -3.625 -9.258 1.00 14.53 C ATOM 759 O VAL B 18 16.120 -4.565 -9.855 1.00 55.52 O ATOM 760 CB VAL B 18 16.746 -3.604 -6.979 1.00 35.51 C ATOM 761 CG1 VAL B 18 17.753 -2.718 -7.713 1.00 3.30 C ATOM 762 CG2 VAL B 18 16.531 -3.120 -5.544 1.00 40.32 C ATOM 0 H VAL B 18 15.252 -5.567 -6.859 1.00 12.53 H new ATOM 0 HA VAL B 18 14.848 -2.790 -7.452 1.00 1.34 H new ATOM 0 HB VAL B 18 17.159 -4.612 -6.933 1.00 35.51 H new ATOM 0 HG11 VAL B 18 18.687 -2.686 -7.151 1.00 3.30 H new ATOM 0 HG12 VAL B 18 17.941 -3.126 -8.706 1.00 3.30 H new ATOM 0 HG13 VAL B 18 17.351 -1.709 -7.805 1.00 3.30 H new ATOM 0 HG21 VAL B 18 17.489 -3.080 -5.026 1.00 40.32 H new ATOM 0 HG22 VAL B 18 16.085 -2.126 -5.558 1.00 40.32 H new ATOM 0 HG23 VAL B 18 15.866 -3.809 -5.024 1.00 40.32 H new ATOM 772 N LEU B 19 15.153 -2.520 -9.839 1.00 64.34 N ATOM 773 CA LEU B 19 15.257 -2.336 -11.277 1.00 71.43 C ATOM 774 C LEU B 19 16.393 -1.359 -11.581 1.00 54.54 C ATOM 775 O LEU B 19 17.094 -1.507 -12.581 1.00 73.04 O ATOM 776 CB LEU B 19 13.908 -1.914 -11.862 1.00 1.11 C ATOM 777 CG LEU B 19 13.314 -0.617 -11.310 1.00 41.11 C ATOM 778 CD1 LEU B 19 13.079 0.399 -12.430 1.00 72.44 C ATOM 779 CD2 LEU B 19 12.039 -0.894 -10.511 1.00 3.53 C ATOM 0 H LEU B 19 14.720 -1.743 -9.340 1.00 64.34 H new ATOM 0 HA LEU B 19 15.508 -3.278 -11.765 1.00 71.43 H new ATOM 0 HB2 LEU B 19 14.019 -1.809 -12.941 1.00 1.11 H new ATOM 0 HB3 LEU B 19 13.193 -2.719 -11.692 1.00 1.11 H new ATOM 0 HG LEU B 19 14.036 -0.177 -10.622 1.00 41.11 H new ATOM 0 HD11 LEU B 19 12.656 1.312 -12.010 1.00 72.44 H new ATOM 0 HD12 LEU B 19 14.026 0.629 -12.918 1.00 72.44 H new ATOM 0 HD13 LEU B 19 12.387 -0.019 -13.161 1.00 72.44 H new ATOM 0 HD21 LEU B 19 11.637 0.045 -10.130 1.00 3.53 H new ATOM 0 HD22 LEU B 19 11.301 -1.369 -11.157 1.00 3.53 H new ATOM 0 HD23 LEU B 19 12.269 -1.556 -9.676 1.00 3.53 H new ATOM 791 N GLU B 20 16.540 -0.379 -10.701 1.00 14.14 N ATOM 792 CA GLU B 20 17.579 0.623 -10.862 1.00 42.33 C ATOM 793 C GLU B 20 18.395 0.756 -9.574 1.00 54.25 C ATOM 794 O GLU B 20 18.009 1.490 -8.666 1.00 20.44 O ATOM 795 CB GLU B 20 16.982 1.970 -11.275 1.00 50.31 C ATOM 796 CG GLU B 20 18.059 2.900 -11.836 1.00 23.23 C ATOM 797 CD GLU B 20 17.434 4.136 -12.487 1.00 25.53 C ATOM 798 OE1 GLU B 20 16.244 4.118 -12.831 1.00 34.01 O ATOM 799 OE2 GLU B 20 18.232 5.139 -12.629 1.00 75.44 O ATOM 0 H GLU B 20 15.956 -0.258 -9.874 1.00 14.14 H new ATOM 0 HA GLU B 20 18.248 0.299 -11.659 1.00 42.33 H new ATOM 0 HB2 GLU B 20 16.206 1.813 -12.024 1.00 50.31 H new ATOM 0 HB3 GLU B 20 16.504 2.439 -10.415 1.00 50.31 H new ATOM 0 HG2 GLU B 20 18.732 3.208 -11.035 1.00 23.23 H new ATOM 0 HG3 GLU B 20 18.661 2.364 -12.570 1.00 23.23 H new ATOM 806 N GLU B 21 19.504 0.035 -9.538 1.00 24.10 N ATOM 807 CA GLU B 21 20.377 0.063 -8.377 1.00 44.41 C ATOM 808 C GLU B 21 20.798 1.501 -8.063 1.00 63.54 C ATOM 809 O GLU B 21 21.002 2.304 -8.973 1.00 71.31 O ATOM 810 CB GLU B 21 21.599 -0.832 -8.587 1.00 65.31 C ATOM 811 CG GLU B 21 22.567 -0.727 -7.407 1.00 5.30 C ATOM 812 CD GLU B 21 23.961 -1.228 -7.793 1.00 14.43 C ATOM 813 OE1 GLU B 21 24.112 -1.907 -8.819 1.00 61.21 O ATOM 814 OE2 GLU B 21 24.906 -0.888 -6.984 1.00 52.32 O ATOM 0 H GLU B 21 19.819 -0.573 -10.294 1.00 24.10 H new ATOM 0 HA GLU B 21 19.824 -0.328 -7.523 1.00 44.41 H new ATOM 0 HB2 GLU B 21 21.279 -1.867 -8.708 1.00 65.31 H new ATOM 0 HB3 GLU B 21 22.109 -0.546 -9.507 1.00 65.31 H new ATOM 0 HG2 GLU B 21 22.629 0.309 -7.074 1.00 5.30 H new ATOM 0 HG3 GLU B 21 22.187 -1.310 -6.568 1.00 5.30 H new ATOM 821 N GLY B 22 20.915 1.781 -6.774 1.00 45.02 N ATOM 822 CA GLY B 22 21.308 3.108 -6.330 1.00 65.51 C ATOM 823 C GLY B 22 22.539 3.041 -5.423 1.00 63.44 C ATOM 824 O GLY B 22 23.430 2.220 -5.640 1.00 22.23 O ATOM 0 H GLY B 22 20.745 1.112 -6.023 1.00 45.02 H new ATOM 0 HA2 GLY B 22 21.523 3.736 -7.195 1.00 65.51 H new ATOM 0 HA3 GLY B 22 20.482 3.575 -5.794 1.00 65.51 H new ATOM 828 N GLY B 23 22.549 3.913 -4.427 1.00 2.31 N ATOM 829 CA GLY B 23 23.656 3.963 -3.486 1.00 44.41 C ATOM 830 C GLY B 23 23.148 4.036 -2.045 1.00 71.04 C ATOM 831 O GLY B 23 23.592 4.880 -1.268 1.00 24.22 O ATOM 0 H GLY B 23 21.808 4.591 -4.250 1.00 2.31 H new ATOM 0 HA2 GLY B 23 24.283 3.080 -3.610 1.00 44.41 H new ATOM 0 HA3 GLY B 23 24.281 4.830 -3.700 1.00 44.41 H new ATOM 835 N GLY B 24 22.224 3.139 -1.732 1.00 4.41 N ATOM 836 CA GLY B 24 21.651 3.091 -0.398 1.00 22.55 C ATOM 837 C GLY B 24 21.067 1.707 -0.101 1.00 41.41 C ATOM 838 O GLY B 24 21.221 0.782 -0.896 1.00 42.40 O ATOM 0 H GLY B 24 21.858 2.440 -2.379 1.00 4.41 H new ATOM 0 HA2 GLY B 24 22.417 3.332 0.339 1.00 22.55 H new ATOM 0 HA3 GLY B 24 20.871 3.846 -0.306 1.00 22.55 H new ATOM 842 N THR B 25 20.409 1.612 1.044 1.00 73.42 N ATOM 843 CA THR B 25 19.801 0.358 1.454 1.00 34.35 C ATOM 844 C THR B 25 18.308 0.553 1.726 1.00 75.22 C ATOM 845 O THR B 25 17.871 1.655 2.050 1.00 54.22 O ATOM 846 CB THR B 25 20.574 -0.168 2.666 1.00 21.22 C ATOM 847 OG1 THR B 25 21.829 -0.575 2.126 1.00 72.30 O ATOM 848 CG2 THR B 25 19.974 -1.459 3.228 1.00 11.05 C ATOM 0 H THR B 25 20.283 2.382 1.701 1.00 73.42 H new ATOM 0 HA THR B 25 19.861 -0.388 0.662 1.00 34.35 H new ATOM 0 HB THR B 25 20.590 0.594 3.445 1.00 21.22 H new ATOM 0 HG1 THR B 25 22.395 -0.928 2.844 1.00 72.30 H new ATOM 0 HG21 THR B 25 20.560 -1.789 4.086 1.00 11.05 H new ATOM 0 HG22 THR B 25 18.945 -1.277 3.539 1.00 11.05 H new ATOM 0 HG23 THR B 25 19.989 -2.232 2.459 1.00 11.05 H new ATOM 856 N LEU B 26 17.566 -0.537 1.583 1.00 43.51 N ATOM 857 CA LEU B 26 16.131 -0.500 1.808 1.00 4.52 C ATOM 858 C LEU B 26 15.836 -0.901 3.255 1.00 14.11 C ATOM 859 O LEU B 26 15.413 -2.026 3.517 1.00 13.23 O ATOM 860 CB LEU B 26 15.404 -1.357 0.771 1.00 75.10 C ATOM 861 CG LEU B 26 15.978 -1.326 -0.647 1.00 32.41 C ATOM 862 CD1 LEU B 26 15.479 -2.518 -1.467 1.00 1.13 C ATOM 863 CD2 LEU B 26 15.675 0.007 -1.331 1.00 43.54 C ATOM 0 H LEU B 26 17.932 -1.450 1.314 1.00 43.51 H new ATOM 0 HA LEU B 26 15.750 0.512 1.674 1.00 4.52 H new ATOM 0 HB2 LEU B 26 15.403 -2.390 1.119 1.00 75.10 H new ATOM 0 HB3 LEU B 26 14.364 -1.035 0.728 1.00 75.10 H new ATOM 0 HG LEU B 26 17.062 -1.414 -0.579 1.00 32.41 H new ATOM 0 HD11 LEU B 26 15.902 -2.472 -2.471 1.00 1.13 H new ATOM 0 HD12 LEU B 26 15.788 -3.446 -0.985 1.00 1.13 H new ATOM 0 HD13 LEU B 26 14.391 -2.487 -1.530 1.00 1.13 H new ATOM 0 HD21 LEU B 26 16.094 0.003 -2.337 1.00 43.54 H new ATOM 0 HD22 LEU B 26 14.596 0.150 -1.388 1.00 43.54 H new ATOM 0 HD23 LEU B 26 16.119 0.820 -0.756 1.00 43.54 H new ATOM 875 N VAL B 27 16.070 0.041 4.156 1.00 3.15 N ATOM 876 CA VAL B 27 15.834 -0.200 5.570 1.00 2.33 C ATOM 877 C VAL B 27 14.329 -0.314 5.819 1.00 11.24 C ATOM 878 O VAL B 27 13.617 0.690 5.810 1.00 20.45 O ATOM 879 CB VAL B 27 16.498 0.897 6.406 1.00 74.32 C ATOM 880 CG1 VAL B 27 16.158 0.737 7.889 1.00 14.04 C ATOM 881 CG2 VAL B 27 18.012 0.911 6.189 1.00 10.41 C ATOM 0 H VAL B 27 16.421 0.973 3.935 1.00 3.15 H new ATOM 0 HA VAL B 27 16.286 -1.143 5.878 1.00 2.33 H new ATOM 0 HB VAL B 27 16.103 1.857 6.073 1.00 74.32 H new ATOM 0 HG11 VAL B 27 16.642 1.529 8.461 1.00 14.04 H new ATOM 0 HG12 VAL B 27 15.078 0.800 8.024 1.00 14.04 H new ATOM 0 HG13 VAL B 27 16.511 -0.232 8.241 1.00 14.04 H new ATOM 0 HG21 VAL B 27 18.459 1.699 6.794 1.00 10.41 H new ATOM 0 HG22 VAL B 27 18.430 -0.052 6.481 1.00 10.41 H new ATOM 0 HG23 VAL B 27 18.227 1.096 5.137 1.00 10.41 H new ATOM 891 N CYS B 28 13.889 -1.544 6.035 1.00 70.12 N ATOM 892 CA CYS B 28 12.481 -1.802 6.286 1.00 32.33 C ATOM 893 C CYS B 28 12.351 -2.460 7.662 1.00 40.05 C ATOM 894 O CYS B 28 13.069 -3.410 7.970 1.00 3.53 O ATOM 895 CB CYS B 28 11.857 -2.659 5.184 1.00 62.25 C ATOM 896 SG CYS B 28 10.033 -2.790 5.252 1.00 45.33 S ATOM 0 H CYS B 28 14.482 -2.374 6.042 1.00 70.12 H new ATOM 0 HA CYS B 28 11.930 -0.861 6.280 1.00 32.33 H new ATOM 0 HB2 CYS B 28 12.141 -2.245 4.217 1.00 62.25 H new ATOM 0 HB3 CYS B 28 12.281 -3.662 5.239 1.00 62.25 H new ATOM 901 N CYS B 29 11.430 -1.928 8.452 1.00 3.41 N ATOM 902 CA CYS B 29 11.197 -2.451 9.787 1.00 11.22 C ATOM 903 C CYS B 29 12.474 -2.259 10.609 1.00 71.34 C ATOM 904 O CYS B 29 12.782 -3.069 11.481 1.00 61.13 O ATOM 905 CB CYS B 29 10.755 -3.916 9.752 1.00 41.42 C ATOM 906 SG CYS B 29 9.056 -4.190 9.132 1.00 11.20 S ATOM 0 H CYS B 29 10.836 -1.140 8.193 1.00 3.41 H new ATOM 0 HA CYS B 29 10.379 -1.904 10.256 1.00 11.22 H new ATOM 0 HB2 CYS B 29 11.450 -4.476 9.126 1.00 41.42 H new ATOM 0 HB3 CYS B 29 10.830 -4.328 10.758 1.00 41.42 H new ATOM 911 N GLY B 30 13.182 -1.183 10.299 1.00 32.31 N ATOM 912 CA GLY B 30 14.419 -0.874 10.997 1.00 75.14 C ATOM 913 C GLY B 30 15.485 -1.936 10.718 1.00 4.20 C ATOM 914 O GLY B 30 16.455 -2.058 11.465 1.00 53.42 O ATOM 0 H GLY B 30 12.923 -0.514 9.574 1.00 32.31 H new ATOM 0 HA2 GLY B 30 14.784 0.104 10.683 1.00 75.14 H new ATOM 0 HA3 GLY B 30 14.231 -0.815 12.069 1.00 75.14 H new ATOM 918 N GLU B 31 15.269 -2.676 9.641 1.00 62.34 N ATOM 919 CA GLU B 31 16.200 -3.723 9.254 1.00 2.42 C ATOM 920 C GLU B 31 16.436 -3.691 7.742 1.00 3.12 C ATOM 921 O GLU B 31 15.492 -3.788 6.961 1.00 71.55 O ATOM 922 CB GLU B 31 15.697 -5.097 9.701 1.00 43.43 C ATOM 923 CG GLU B 31 16.836 -6.118 9.723 1.00 44.44 C ATOM 924 CD GLU B 31 16.291 -7.548 9.744 1.00 41.41 C ATOM 925 OE1 GLU B 31 15.125 -7.771 9.386 1.00 63.44 O ATOM 926 OE2 GLU B 31 17.126 -8.443 10.150 1.00 71.15 O ATOM 0 H GLU B 31 14.463 -2.572 9.024 1.00 62.34 H new ATOM 0 HA GLU B 31 17.151 -3.540 9.755 1.00 2.42 H new ATOM 0 HB2 GLU B 31 15.253 -5.020 10.694 1.00 43.43 H new ATOM 0 HB3 GLU B 31 14.912 -5.438 9.026 1.00 43.43 H new ATOM 0 HG2 GLU B 31 17.470 -5.980 8.847 1.00 44.44 H new ATOM 0 HG3 GLU B 31 17.462 -5.951 10.599 1.00 44.44 H new ATOM 933 N ASP B 32 17.703 -3.553 7.376 1.00 32.23 N ATOM 934 CA ASP B 32 18.075 -3.508 5.972 1.00 13.41 C ATOM 935 C ASP B 32 17.608 -4.791 5.283 1.00 1.53 C ATOM 936 O ASP B 32 18.157 -5.865 5.525 1.00 13.43 O ATOM 937 CB ASP B 32 19.593 -3.408 5.808 1.00 11.11 C ATOM 938 CG ASP B 32 20.406 -4.253 6.790 1.00 13.34 C ATOM 939 OD1 ASP B 32 20.366 -5.492 6.752 1.00 63.10 O ATOM 940 OD2 ASP B 32 21.114 -3.579 7.633 1.00 65.52 O ATOM 0 H ASP B 32 18.484 -3.471 8.027 1.00 32.23 H new ATOM 0 HA ASP B 32 17.605 -2.631 5.527 1.00 13.41 H new ATOM 0 HB2 ASP B 32 19.854 -3.706 4.793 1.00 11.11 H new ATOM 0 HB3 ASP B 32 19.887 -2.364 5.919 1.00 11.11 H new ATOM 945 N MET B 33 16.600 -4.637 4.438 1.00 73.23 N ATOM 946 CA MET B 33 16.052 -5.771 3.712 1.00 43.24 C ATOM 947 C MET B 33 17.162 -6.730 3.276 1.00 33.42 C ATOM 948 O MET B 33 18.287 -6.306 3.014 1.00 35.14 O ATOM 949 CB MET B 33 15.296 -5.271 2.479 1.00 71.11 C ATOM 950 CG MET B 33 14.125 -6.196 2.142 1.00 12.42 C ATOM 951 SD MET B 33 12.619 -5.248 2.004 1.00 73.13 S ATOM 952 CE MET B 33 12.694 -4.796 0.278 1.00 65.51 C ATOM 0 H MET B 33 16.148 -3.744 4.239 1.00 73.23 H new ATOM 0 HA MET B 33 15.372 -6.308 4.373 1.00 43.24 H new ATOM 0 HB2 MET B 33 14.927 -4.261 2.659 1.00 71.11 H new ATOM 0 HB3 MET B 33 15.976 -5.215 1.629 1.00 71.11 H new ATOM 0 HG2 MET B 33 14.322 -6.720 1.207 1.00 12.42 H new ATOM 0 HG3 MET B 33 14.017 -6.956 2.916 1.00 12.42 H new ATOM 0 HE1 MET B 33 11.772 -4.288 -0.005 1.00 65.51 H new ATOM 0 HE2 MET B 33 13.541 -4.130 0.113 1.00 65.51 H new ATOM 0 HE3 MET B 33 12.814 -5.694 -0.328 1.00 65.51 H new ATOM 962 N VAL B 34 16.807 -8.005 3.211 1.00 53.33 N ATOM 963 CA VAL B 34 17.758 -9.028 2.812 1.00 43.22 C ATOM 964 C VAL B 34 17.629 -9.278 1.308 1.00 24.23 C ATOM 965 O VAL B 34 16.625 -8.914 0.698 1.00 44.12 O ATOM 966 CB VAL B 34 17.550 -10.291 3.648 1.00 24.05 C ATOM 967 CG1 VAL B 34 17.199 -9.939 5.096 1.00 24.20 C ATOM 968 CG2 VAL B 34 16.479 -11.190 3.027 1.00 10.43 C ATOM 0 H VAL B 34 15.873 -8.353 3.428 1.00 53.33 H new ATOM 0 HA VAL B 34 18.779 -8.695 3.000 1.00 43.22 H new ATOM 0 HB VAL B 34 18.489 -10.845 3.656 1.00 24.05 H new ATOM 0 HG11 VAL B 34 17.056 -10.855 5.669 1.00 24.20 H new ATOM 0 HG12 VAL B 34 18.010 -9.358 5.536 1.00 24.20 H new ATOM 0 HG13 VAL B 34 16.281 -9.352 5.115 1.00 24.20 H new ATOM 0 HG21 VAL B 34 16.351 -12.081 3.641 1.00 10.43 H new ATOM 0 HG22 VAL B 34 15.535 -10.648 2.973 1.00 10.43 H new ATOM 0 HG23 VAL B 34 16.787 -11.483 2.023 1.00 10.43 H new ATOM 978 N LYS B 35 18.661 -9.899 0.754 1.00 73.03 N ATOM 979 CA LYS B 35 18.675 -10.203 -0.667 1.00 24.20 C ATOM 980 C LYS B 35 18.239 -11.654 -0.879 1.00 23.24 C ATOM 981 O LYS B 35 18.446 -12.501 -0.011 1.00 4.14 O ATOM 982 CB LYS B 35 20.044 -9.878 -1.270 1.00 25.00 C ATOM 983 CG LYS B 35 19.898 -9.056 -2.552 1.00 13.21 C ATOM 984 CD LYS B 35 20.632 -7.719 -2.432 1.00 75.11 C ATOM 985 CE LYS B 35 22.119 -7.880 -2.749 1.00 25.05 C ATOM 986 NZ LYS B 35 22.470 -7.144 -3.984 1.00 10.54 N ATOM 0 H LYS B 35 19.492 -10.199 1.263 1.00 73.03 H new ATOM 0 HA LYS B 35 17.960 -9.575 -1.198 1.00 24.20 H new ATOM 0 HB2 LYS B 35 20.642 -9.325 -0.546 1.00 25.00 H new ATOM 0 HB3 LYS B 35 20.579 -10.803 -1.486 1.00 25.00 H new ATOM 0 HG2 LYS B 35 20.296 -9.619 -3.396 1.00 13.21 H new ATOM 0 HG3 LYS B 35 18.842 -8.878 -2.756 1.00 13.21 H new ATOM 0 HD2 LYS B 35 20.188 -6.994 -3.114 1.00 75.11 H new ATOM 0 HD3 LYS B 35 20.512 -7.324 -1.423 1.00 75.11 H new ATOM 0 HE2 LYS B 35 22.716 -7.509 -1.916 1.00 25.05 H new ATOM 0 HE3 LYS B 35 22.359 -8.937 -2.868 1.00 25.05 H new ATOM 0 HZ1 LYS B 35 23.322 -7.564 -4.408 1.00 10.54 H new ATOM 0 HZ2 LYS B 35 21.681 -7.203 -4.659 1.00 10.54 H new ATOM 0 HZ3 LYS B 35 22.654 -6.147 -3.753 1.00 10.54 H new ATOM 999 N GLN B 36 17.642 -11.895 -2.036 1.00 61.21 N ATOM 1000 CA GLN B 36 17.174 -13.230 -2.373 1.00 2.21 C ATOM 1001 C GLN B 36 17.964 -13.786 -3.560 1.00 41.41 C ATOM 1002 O GLN B 36 19.041 -13.286 -3.882 1.00 32.04 O ATOM 1003 CB GLN B 36 15.673 -13.226 -2.667 1.00 40.25 C ATOM 1004 CG GLN B 36 14.903 -12.475 -1.580 1.00 2.14 C ATOM 1005 CD GLN B 36 14.791 -13.316 -0.306 1.00 53.42 C ATOM 1006 OE1 GLN B 36 13.916 -14.153 -0.159 1.00 31.20 O ATOM 1007 NE2 GLN B 36 15.724 -13.048 0.603 1.00 34.30 N ATOM 0 H GLN B 36 17.471 -11.189 -2.752 1.00 61.21 H new ATOM 0 HA GLN B 36 17.341 -13.880 -1.514 1.00 2.21 H new ATOM 0 HB2 GLN B 36 15.490 -12.760 -3.635 1.00 40.25 H new ATOM 0 HB3 GLN B 36 15.309 -14.251 -2.733 1.00 40.25 H new ATOM 0 HG2 GLN B 36 15.407 -11.535 -1.356 1.00 2.14 H new ATOM 0 HG3 GLN B 36 13.906 -12.224 -1.943 1.00 2.14 H new ATOM 0 HE21 GLN B 36 16.428 -12.334 0.416 1.00 34.30 H new ATOM 0 HE22 GLN B 36 15.735 -13.556 1.487 1.00 34.30 H new TER 1016 GLN B 36 HETATM 1017 CD CD A 37 18.786 6.049 -1.507 1.00 53.25 CD HETATM 1018 CD CD B 37 9.456 -4.606 6.790 1.00 32.23 CD