USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 573 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 24 ASN :FLIP amide:sc= -1.5 F(o=-1.9!,f=-0.24) USER MOD Set 1.2: B 123 THR OG1 : rot 73:sc= 1.26 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.796 K(o=-0.14,f=-3.2!) USER MOD Set 2.2: A 17 LYS NZ :NH3+ -163:sc= 0.655 (180deg=-0.00457) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.116 (180deg=-0.452) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.33) USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= 0.884 (180deg=-0.0223) USER MOD Single : A 19 GLN : amide:sc= -3.39 K(o=-3.4,f=-4.2!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 25 MET CE :methyl 144:sc= -0.19 (180deg=-1.97!) USER MOD Single : A 28 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.083) USER MOD Single : B 103 LYS NZ :NH3+ 163:sc= -0.248 (180deg=-0.688) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.086) USER MOD Single : B 113 ASN :FLIP amide:sc= -0.0368 F(o=-1.2,f=-0.037) USER MOD Single : B 115 LYS NZ :NH3+ -151:sc= 0.502 (180deg=0.278) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN :FLIP amide:sc= -1.94 F(o=-2.8,f=-1.9) USER MOD Single : B 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 124 ASN :FLIP amide:sc= -1.61! C(o=-3.8!,f=-1.6!) USER MOD Single : B 125 MET CE :methyl -160:sc= -0.115 (180deg=-0.612) USER MOD Single : B 128 THR OG1 : rot 82:sc= 1.2 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.784 F(o=-2.7!,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 11.280 -6.724 22.397 1.00 41.31 N ATOM 36 CA LYS A 3 10.204 -5.729 22.277 1.00 15.42 C ATOM 37 C LYS A 3 10.335 -4.958 20.945 1.00 34.42 C ATOM 38 O LYS A 3 9.338 -4.641 20.292 1.00 40.12 O ATOM 39 CB LYS A 3 10.192 -4.770 23.517 1.00 45.11 C ATOM 40 CG LYS A 3 11.161 -3.549 23.522 1.00 1.31 C ATOM 41 CD LYS A 3 12.657 -3.891 23.302 1.00 23.22 C ATOM 42 CE LYS A 3 13.609 -2.774 23.741 1.00 40.34 C ATOM 43 NZ LYS A 3 13.428 -2.362 25.159 1.00 64.54 N ATOM 0 HA LYS A 3 9.244 -6.245 22.265 1.00 15.42 H new ATOM 0 HB2 LYS A 3 9.177 -4.388 23.631 1.00 45.11 H new ATOM 0 HB3 LYS A 3 10.409 -5.369 24.401 1.00 45.11 H new ATOM 0 HG2 LYS A 3 10.846 -2.853 22.745 1.00 1.31 H new ATOM 0 HG3 LYS A 3 11.060 -3.030 24.475 1.00 1.31 H new ATOM 0 HD2 LYS A 3 12.898 -4.801 23.852 1.00 23.22 H new ATOM 0 HD3 LYS A 3 12.822 -4.104 22.246 1.00 23.22 H new ATOM 0 HE2 LYS A 3 14.637 -3.106 23.596 1.00 40.34 H new ATOM 0 HE3 LYS A 3 13.460 -1.907 23.097 1.00 40.34 H new ATOM 0 HZ1 LYS A 3 14.263 -1.829 25.475 1.00 64.54 H new ATOM 0 HZ2 LYS A 3 12.583 -1.761 25.241 1.00 64.54 H new ATOM 0 HZ3 LYS A 3 13.311 -3.207 25.754 1.00 64.54 H new ATOM 57 N LYS A 4 11.599 -4.724 20.536 1.00 3.22 N ATOM 58 CA LYS A 4 11.922 -3.992 19.304 1.00 41.34 C ATOM 59 C LYS A 4 11.834 -4.906 18.095 1.00 10.35 C ATOM 60 O LYS A 4 11.614 -4.414 17.008 1.00 20.43 O ATOM 61 CB LYS A 4 13.317 -3.307 19.373 1.00 63.23 C ATOM 62 CG LYS A 4 14.533 -4.252 19.635 1.00 30.30 C ATOM 63 CD LYS A 4 15.741 -3.967 18.705 1.00 70.21 C ATOM 64 CE LYS A 4 15.498 -4.389 17.252 1.00 54.50 C ATOM 65 NZ LYS A 4 16.632 -3.995 16.368 1.00 54.24 N ATOM 0 H LYS A 4 12.420 -5.039 21.053 1.00 3.22 H new ATOM 0 HA LYS A 4 11.180 -3.201 19.200 1.00 41.34 H new ATOM 0 HB2 LYS A 4 13.488 -2.780 18.434 1.00 63.23 H new ATOM 0 HB3 LYS A 4 13.291 -2.554 20.161 1.00 63.23 H new ATOM 0 HG2 LYS A 4 14.849 -4.147 20.673 1.00 30.30 H new ATOM 0 HG3 LYS A 4 14.216 -5.286 19.501 1.00 30.30 H new ATOM 0 HD2 LYS A 4 15.970 -2.902 18.734 1.00 70.21 H new ATOM 0 HD3 LYS A 4 16.617 -4.491 19.087 1.00 70.21 H new ATOM 0 HE2 LYS A 4 15.358 -5.469 17.205 1.00 54.50 H new ATOM 0 HE3 LYS A 4 14.577 -3.932 16.889 1.00 54.50 H new ATOM 0 HZ1 LYS A 4 16.433 -4.297 15.393 1.00 54.24 H new ATOM 0 HZ2 LYS A 4 16.750 -2.962 16.394 1.00 54.24 H new ATOM 0 HZ3 LYS A 4 17.506 -4.451 16.700 1.00 54.24 H new ATOM 79 N LEU A 5 12.012 -6.235 18.297 1.00 53.41 N ATOM 80 CA LEU A 5 11.862 -7.237 17.209 1.00 22.32 C ATOM 81 C LEU A 5 10.455 -7.103 16.587 1.00 31.34 C ATOM 82 O LEU A 5 10.283 -7.025 15.343 1.00 2.00 O ATOM 83 CB LEU A 5 12.064 -8.686 17.745 1.00 32.24 C ATOM 84 CG LEU A 5 12.210 -9.793 16.642 1.00 2.13 C ATOM 85 CD1 LEU A 5 13.616 -9.765 16.009 1.00 44.21 C ATOM 86 CD2 LEU A 5 11.854 -11.205 17.168 1.00 1.30 C ATOM 0 H LEU A 5 12.259 -6.638 19.201 1.00 53.41 H new ATOM 0 HA LEU A 5 12.625 -7.047 16.454 1.00 22.32 H new ATOM 0 HB2 LEU A 5 12.954 -8.703 18.374 1.00 32.24 H new ATOM 0 HB3 LEU A 5 11.218 -8.941 18.383 1.00 32.24 H new ATOM 0 HG LEU A 5 11.484 -9.561 15.863 1.00 2.13 H new ATOM 0 HD11 LEU A 5 13.688 -10.543 15.249 1.00 44.21 H new ATOM 0 HD12 LEU A 5 13.789 -8.792 15.550 1.00 44.21 H new ATOM 0 HD13 LEU A 5 14.366 -9.941 16.780 1.00 44.21 H new ATOM 0 HD21 LEU A 5 11.972 -11.933 16.365 1.00 1.30 H new ATOM 0 HD22 LEU A 5 12.518 -11.464 17.993 1.00 1.30 H new ATOM 0 HD23 LEU A 5 10.821 -11.214 17.517 1.00 1.30 H new ATOM 98 N TYR A 6 9.472 -7.041 17.512 1.00 34.14 N ATOM 99 CA TYR A 6 8.065 -6.775 17.209 1.00 42.23 C ATOM 100 C TYR A 6 7.934 -5.473 16.405 1.00 75.31 C ATOM 101 O TYR A 6 7.454 -5.478 15.274 1.00 43.43 O ATOM 102 CB TYR A 6 7.261 -6.698 18.542 1.00 63.31 C ATOM 103 CG TYR A 6 5.730 -6.815 18.382 1.00 65.12 C ATOM 104 CD1 TYR A 6 4.941 -5.713 18.022 1.00 30.03 C ATOM 105 CD2 TYR A 6 5.074 -8.035 18.588 1.00 44.01 C ATOM 106 CE1 TYR A 6 3.574 -5.824 17.881 1.00 70.34 C ATOM 107 CE2 TYR A 6 3.707 -8.144 18.441 1.00 72.53 C ATOM 108 CZ TYR A 6 2.961 -7.037 18.090 1.00 51.35 C ATOM 109 OH TYR A 6 1.595 -7.146 17.959 1.00 20.45 O ATOM 0 H TYR A 6 9.647 -7.178 18.507 1.00 34.14 H new ATOM 0 HA TYR A 6 7.658 -7.583 16.601 1.00 42.23 H new ATOM 0 HB2 TYR A 6 7.605 -7.493 19.204 1.00 63.31 H new ATOM 0 HB3 TYR A 6 7.490 -5.753 19.034 1.00 63.31 H new ATOM 0 HD1 TYR A 6 5.414 -4.757 17.852 1.00 30.03 H new ATOM 0 HD2 TYR A 6 5.649 -8.906 18.867 1.00 44.01 H new ATOM 0 HE1 TYR A 6 2.986 -4.960 17.607 1.00 70.34 H new ATOM 0 HE2 TYR A 6 3.221 -9.095 18.600 1.00 72.53 H new ATOM 0 HH TYR A 6 1.322 -8.070 18.139 1.00 20.45 H new ATOM 119 N GLU A 7 8.454 -4.391 16.997 1.00 45.23 N ATOM 120 CA GLU A 7 8.277 -3.018 16.514 1.00 3.34 C ATOM 121 C GLU A 7 8.935 -2.746 15.148 1.00 64.21 C ATOM 122 O GLU A 7 8.448 -1.899 14.410 1.00 33.11 O ATOM 123 CB GLU A 7 8.842 -2.041 17.567 1.00 65.41 C ATOM 124 CG GLU A 7 8.080 -2.037 18.904 1.00 51.04 C ATOM 125 CD GLU A 7 6.564 -1.800 18.767 1.00 22.23 C ATOM 126 OE1 GLU A 7 5.770 -2.701 19.115 1.00 21.51 O ATOM 127 OE2 GLU A 7 6.160 -0.710 18.317 1.00 72.02 O ATOM 0 H GLU A 7 9.021 -4.448 17.843 1.00 45.23 H new ATOM 0 HA GLU A 7 7.207 -2.869 16.368 1.00 3.34 H new ATOM 0 HB2 GLU A 7 9.885 -2.295 17.758 1.00 65.41 H new ATOM 0 HB3 GLU A 7 8.830 -1.033 17.153 1.00 65.41 H new ATOM 0 HG2 GLU A 7 8.243 -2.991 19.405 1.00 51.04 H new ATOM 0 HG3 GLU A 7 8.501 -1.263 19.547 1.00 51.04 H new ATOM 134 N GLN A 8 10.060 -3.420 14.854 1.00 42.12 N ATOM 135 CA GLN A 8 10.802 -3.225 13.583 1.00 51.03 C ATOM 136 C GLN A 8 9.998 -3.720 12.380 1.00 14.23 C ATOM 137 O GLN A 8 9.826 -2.970 11.400 1.00 12.10 O ATOM 138 CB GLN A 8 12.213 -3.885 13.613 1.00 1.41 C ATOM 139 CG GLN A 8 13.201 -3.277 14.651 1.00 64.13 C ATOM 140 CD GLN A 8 12.976 -1.792 14.954 1.00 73.03 C ATOM 141 OE1 GLN A 8 13.548 -0.916 14.317 1.00 74.11 O ATOM 142 NE2 GLN A 8 12.114 -1.520 15.930 1.00 0.14 N ATOM 0 H GLN A 8 10.482 -4.108 15.478 1.00 42.12 H new ATOM 0 HA GLN A 8 10.949 -2.150 13.474 1.00 51.03 H new ATOM 0 HB2 GLN A 8 12.096 -4.948 13.824 1.00 1.41 H new ATOM 0 HB3 GLN A 8 12.657 -3.804 12.621 1.00 1.41 H new ATOM 0 HG2 GLN A 8 13.122 -3.840 15.581 1.00 64.13 H new ATOM 0 HG3 GLN A 8 14.219 -3.409 14.284 1.00 64.13 H new ATOM 0 HE21 GLN A 8 11.659 -2.280 16.436 1.00 0.14 H new ATOM 0 HE22 GLN A 8 11.908 -0.551 16.173 1.00 0.14 H new ATOM 151 N ILE A 9 9.508 -4.983 12.436 1.00 24.22 N ATOM 152 CA ILE A 9 8.611 -5.488 11.378 1.00 51.41 C ATOM 153 C ILE A 9 7.271 -4.711 11.394 1.00 53.03 C ATOM 154 O ILE A 9 6.738 -4.384 10.335 1.00 45.21 O ATOM 155 CB ILE A 9 8.291 -7.020 11.480 1.00 44.14 C ATOM 156 CG1 ILE A 9 9.559 -7.877 11.743 1.00 43.45 C ATOM 157 CG2 ILE A 9 7.574 -7.502 10.180 1.00 14.12 C ATOM 158 CD1 ILE A 9 9.249 -9.353 11.876 1.00 62.54 C ATOM 0 H ILE A 9 9.713 -5.650 13.180 1.00 24.22 H new ATOM 0 HA ILE A 9 9.154 -5.331 10.446 1.00 51.41 H new ATOM 0 HB ILE A 9 7.631 -7.157 12.337 1.00 44.14 H new ATOM 0 HG12 ILE A 9 10.267 -7.731 10.927 1.00 43.45 H new ATOM 0 HG13 ILE A 9 10.046 -7.529 12.654 1.00 43.45 H new ATOM 0 HG21 ILE A 9 7.355 -8.567 10.259 1.00 14.12 H new ATOM 0 HG22 ILE A 9 6.644 -6.949 10.051 1.00 14.12 H new ATOM 0 HG23 ILE A 9 8.222 -7.327 9.321 1.00 14.12 H new ATOM 0 HD11 ILE A 9 10.172 -9.904 12.059 1.00 62.54 H new ATOM 0 HD12 ILE A 9 8.563 -9.507 12.709 1.00 62.54 H new ATOM 0 HD13 ILE A 9 8.788 -9.712 10.956 1.00 62.54 H new ATOM 170 N LEU A 10 6.753 -4.428 12.612 1.00 52.50 N ATOM 171 CA LEU A 10 5.454 -3.730 12.817 1.00 61.12 C ATOM 172 C LEU A 10 5.519 -2.269 12.303 1.00 2.53 C ATOM 173 O LEU A 10 4.496 -1.698 11.927 1.00 40.23 O ATOM 174 CB LEU A 10 5.023 -3.793 14.329 1.00 72.34 C ATOM 175 CG LEU A 10 3.475 -3.870 14.657 1.00 22.44 C ATOM 176 CD1 LEU A 10 2.712 -2.559 14.348 1.00 34.44 C ATOM 177 CD2 LEU A 10 2.806 -5.082 13.952 1.00 44.13 C ATOM 0 H LEU A 10 7.221 -4.676 13.484 1.00 52.50 H new ATOM 0 HA LEU A 10 4.692 -4.246 12.232 1.00 61.12 H new ATOM 0 HB2 LEU A 10 5.503 -4.663 14.777 1.00 72.34 H new ATOM 0 HB3 LEU A 10 5.427 -2.913 14.829 1.00 72.34 H new ATOM 0 HG LEU A 10 3.408 -4.015 15.735 1.00 22.44 H new ATOM 0 HD11 LEU A 10 1.658 -2.684 14.597 1.00 34.44 H new ATOM 0 HD12 LEU A 10 3.131 -1.746 14.941 1.00 34.44 H new ATOM 0 HD13 LEU A 10 2.809 -2.323 13.288 1.00 34.44 H new ATOM 0 HD21 LEU A 10 1.744 -5.106 14.198 1.00 44.13 H new ATOM 0 HD22 LEU A 10 2.926 -4.987 12.873 1.00 44.13 H new ATOM 0 HD23 LEU A 10 3.277 -6.005 14.290 1.00 44.13 H new ATOM 189 N ALA A 11 6.727 -1.688 12.272 1.00 0.13 N ATOM 190 CA ALA A 11 6.962 -0.336 11.719 1.00 71.01 C ATOM 191 C ALA A 11 6.761 -0.354 10.201 1.00 70.02 C ATOM 192 O ALA A 11 6.000 0.454 9.649 1.00 12.42 O ATOM 193 CB ALA A 11 8.365 0.167 12.072 1.00 64.02 C ATOM 0 H ALA A 11 7.571 -2.137 12.628 1.00 0.13 H new ATOM 0 HA ALA A 11 6.242 0.351 12.164 1.00 71.01 H new ATOM 0 HB1 ALA A 11 8.511 1.163 11.653 1.00 64.02 H new ATOM 0 HB2 ALA A 11 8.474 0.210 13.156 1.00 64.02 H new ATOM 0 HB3 ALA A 11 9.110 -0.513 11.659 1.00 64.02 H new ATOM 199 N GLU A 12 7.435 -1.311 9.542 1.00 62.55 N ATOM 200 CA GLU A 12 7.276 -1.555 8.102 1.00 24.43 C ATOM 201 C GLU A 12 5.818 -1.978 7.792 1.00 42.14 C ATOM 202 O GLU A 12 5.278 -1.606 6.770 1.00 71.01 O ATOM 203 CB GLU A 12 8.283 -2.643 7.629 1.00 21.44 C ATOM 204 CG GLU A 12 8.277 -2.917 6.097 1.00 75.00 C ATOM 205 CD GLU A 12 8.940 -1.849 5.212 1.00 22.11 C ATOM 206 OE1 GLU A 12 9.445 -0.817 5.717 1.00 3.51 O ATOM 207 OE2 GLU A 12 8.946 -2.035 3.976 1.00 65.00 O ATOM 0 H GLU A 12 8.104 -1.935 9.993 1.00 62.55 H new ATOM 0 HA GLU A 12 7.488 -0.634 7.558 1.00 24.43 H new ATOM 0 HB2 GLU A 12 9.288 -2.342 7.926 1.00 21.44 H new ATOM 0 HB3 GLU A 12 8.062 -3.574 8.151 1.00 21.44 H new ATOM 0 HG2 GLU A 12 8.777 -3.869 5.918 1.00 75.00 H new ATOM 0 HG3 GLU A 12 7.243 -3.035 5.774 1.00 75.00 H new ATOM 214 N ASN A 13 5.203 -2.717 8.732 1.00 34.12 N ATOM 215 CA ASN A 13 3.830 -3.267 8.617 1.00 0.11 C ATOM 216 C ASN A 13 2.783 -2.130 8.603 1.00 51.24 C ATOM 217 O ASN A 13 1.845 -2.155 7.794 1.00 21.22 O ATOM 218 CB ASN A 13 3.563 -4.229 9.805 1.00 24.15 C ATOM 219 CG ASN A 13 2.233 -4.985 9.740 1.00 23.42 C ATOM 220 OD1 ASN A 13 1.187 -4.463 10.121 1.00 51.23 O ATOM 221 ND2 ASN A 13 2.268 -6.232 9.298 1.00 53.14 N ATOM 0 H ASN A 13 5.653 -2.957 9.615 1.00 34.12 H new ATOM 0 HA ASN A 13 3.744 -3.814 7.678 1.00 0.11 H new ATOM 0 HB2 ASN A 13 4.374 -4.955 9.854 1.00 24.15 H new ATOM 0 HB3 ASN A 13 3.592 -3.655 10.731 1.00 24.15 H new ATOM 0 HD21 ASN A 13 1.412 -6.786 9.267 1.00 53.14 H new ATOM 0 HD22 ASN A 13 3.151 -6.639 8.988 1.00 53.14 H new ATOM 228 N GLU A 14 2.958 -1.150 9.524 1.00 61.34 N ATOM 229 CA GLU A 14 2.122 0.068 9.598 1.00 64.20 C ATOM 230 C GLU A 14 2.260 0.870 8.300 1.00 45.04 C ATOM 231 O GLU A 14 1.256 1.295 7.705 1.00 30.13 O ATOM 232 CB GLU A 14 2.513 0.962 10.835 1.00 23.15 C ATOM 233 CG GLU A 14 2.297 2.491 10.607 1.00 73.43 C ATOM 234 CD GLU A 14 2.342 3.355 11.871 1.00 2.53 C ATOM 235 OE1 GLU A 14 1.320 3.428 12.580 1.00 23.21 O ATOM 236 OE2 GLU A 14 3.385 3.988 12.146 1.00 31.14 O ATOM 0 H GLU A 14 3.686 -1.185 10.237 1.00 61.34 H new ATOM 0 HA GLU A 14 1.084 -0.239 9.727 1.00 64.20 H new ATOM 0 HB2 GLU A 14 1.926 0.647 11.698 1.00 23.15 H new ATOM 0 HB3 GLU A 14 3.560 0.786 11.081 1.00 23.15 H new ATOM 0 HG2 GLU A 14 3.059 2.849 9.915 1.00 73.43 H new ATOM 0 HG3 GLU A 14 1.332 2.636 10.122 1.00 73.43 H new ATOM 243 N LYS A 15 3.525 1.081 7.899 1.00 51.34 N ATOM 244 CA LYS A 15 3.876 1.812 6.681 1.00 4.11 C ATOM 245 C LYS A 15 3.194 1.178 5.456 1.00 34.22 C ATOM 246 O LYS A 15 2.589 1.878 4.642 1.00 75.10 O ATOM 247 CB LYS A 15 5.413 1.829 6.464 1.00 31.41 C ATOM 248 CG LYS A 15 5.862 2.727 5.276 1.00 73.12 C ATOM 249 CD LYS A 15 7.212 2.311 4.646 1.00 31.30 C ATOM 250 CE LYS A 15 7.117 0.985 3.874 1.00 4.11 C ATOM 251 NZ LYS A 15 8.401 0.649 3.207 1.00 24.22 N ATOM 0 H LYS A 15 4.335 0.744 8.419 1.00 51.34 H new ATOM 0 HA LYS A 15 3.526 2.838 6.799 1.00 4.11 H new ATOM 0 HB2 LYS A 15 5.897 2.178 7.376 1.00 31.41 H new ATOM 0 HB3 LYS A 15 5.759 0.810 6.290 1.00 31.41 H new ATOM 0 HG2 LYS A 15 5.091 2.704 4.506 1.00 73.12 H new ATOM 0 HG3 LYS A 15 5.937 3.758 5.622 1.00 73.12 H new ATOM 0 HD2 LYS A 15 7.552 3.097 3.972 1.00 31.30 H new ATOM 0 HD3 LYS A 15 7.962 2.218 5.431 1.00 31.30 H new ATOM 0 HE2 LYS A 15 6.841 0.183 4.559 1.00 4.11 H new ATOM 0 HE3 LYS A 15 6.325 1.053 3.128 1.00 4.11 H new ATOM 0 HZ1 LYS A 15 8.556 -0.379 3.249 1.00 24.22 H new ATOM 0 HZ2 LYS A 15 8.366 0.954 2.213 1.00 24.22 H new ATOM 0 HZ3 LYS A 15 9.182 1.136 3.691 1.00 24.22 H new ATOM 265 N LEU A 16 3.265 -0.169 5.387 1.00 41.34 N ATOM 266 CA LEU A 16 2.713 -0.956 4.271 1.00 1.25 C ATOM 267 C LEU A 16 1.180 -0.948 4.296 1.00 42.30 C ATOM 268 O LEU A 16 0.548 -1.037 3.244 1.00 3.23 O ATOM 269 CB LEU A 16 3.258 -2.411 4.252 1.00 11.23 C ATOM 270 CG LEU A 16 4.781 -2.560 3.934 1.00 21.43 C ATOM 271 CD1 LEU A 16 5.234 -4.036 3.981 1.00 14.42 C ATOM 272 CD2 LEU A 16 5.159 -1.898 2.597 1.00 34.32 C ATOM 0 H LEU A 16 3.708 -0.739 6.107 1.00 41.34 H new ATOM 0 HA LEU A 16 3.045 -0.476 3.350 1.00 1.25 H new ATOM 0 HB2 LEU A 16 3.062 -2.865 5.223 1.00 11.23 H new ATOM 0 HB3 LEU A 16 2.694 -2.981 3.514 1.00 11.23 H new ATOM 0 HG LEU A 16 5.319 -2.028 4.719 1.00 21.43 H new ATOM 0 HD11 LEU A 16 6.298 -4.097 3.754 1.00 14.42 H new ATOM 0 HD12 LEU A 16 5.051 -4.441 4.976 1.00 14.42 H new ATOM 0 HD13 LEU A 16 4.673 -4.612 3.246 1.00 14.42 H new ATOM 0 HD21 LEU A 16 6.226 -2.026 2.417 1.00 34.32 H new ATOM 0 HD22 LEU A 16 4.596 -2.364 1.788 1.00 34.32 H new ATOM 0 HD23 LEU A 16 4.923 -0.835 2.638 1.00 34.32 H new ATOM 284 N LYS A 17 0.607 -0.826 5.498 1.00 32.12 N ATOM 285 CA LYS A 17 -0.849 -0.707 5.689 1.00 70.11 C ATOM 286 C LYS A 17 -1.349 0.637 5.115 1.00 15.43 C ATOM 287 O LYS A 17 -2.424 0.708 4.500 1.00 21.24 O ATOM 288 CB LYS A 17 -1.190 -0.820 7.206 1.00 23.25 C ATOM 289 CG LYS A 17 -2.578 -1.425 7.531 1.00 23.53 C ATOM 290 CD LYS A 17 -2.711 -2.907 7.074 1.00 33.23 C ATOM 291 CE LYS A 17 -1.562 -3.816 7.569 1.00 31.11 C ATOM 292 NZ LYS A 17 -1.423 -3.802 9.041 1.00 35.31 N ATOM 0 H LYS A 17 1.137 -0.807 6.369 1.00 32.12 H new ATOM 0 HA LYS A 17 -1.351 -1.515 5.157 1.00 70.11 H new ATOM 0 HB2 LYS A 17 -0.425 -1.428 7.689 1.00 23.25 H new ATOM 0 HB3 LYS A 17 -1.133 0.174 7.649 1.00 23.25 H new ATOM 0 HG2 LYS A 17 -2.754 -1.363 8.605 1.00 23.53 H new ATOM 0 HG3 LYS A 17 -3.352 -0.829 7.047 1.00 23.53 H new ATOM 0 HD2 LYS A 17 -3.659 -3.306 7.435 1.00 33.23 H new ATOM 0 HD3 LYS A 17 -2.745 -2.940 5.985 1.00 33.23 H new ATOM 0 HE2 LYS A 17 -1.741 -4.838 7.234 1.00 31.11 H new ATOM 0 HE3 LYS A 17 -0.625 -3.492 7.116 1.00 31.11 H new ATOM 0 HZ1 LYS A 17 -0.490 -4.179 9.305 1.00 35.31 H new ATOM 0 HZ2 LYS A 17 -1.514 -2.826 9.389 1.00 35.31 H new ATOM 0 HZ3 LYS A 17 -2.167 -4.391 9.466 1.00 35.31 H new ATOM 306 N ALA A 18 -0.511 1.679 5.292 1.00 65.43 N ATOM 307 CA ALA A 18 -0.833 3.062 4.923 1.00 60.24 C ATOM 308 C ALA A 18 -0.749 3.259 3.405 1.00 1.41 C ATOM 309 O ALA A 18 -1.695 3.742 2.784 1.00 24.53 O ATOM 310 CB ALA A 18 0.113 4.028 5.643 1.00 5.31 C ATOM 0 H ALA A 18 0.418 1.576 5.700 1.00 65.43 H new ATOM 0 HA ALA A 18 -1.857 3.273 5.231 1.00 60.24 H new ATOM 0 HB1 ALA A 18 -0.132 5.053 5.364 1.00 5.31 H new ATOM 0 HB2 ALA A 18 0.003 3.909 6.721 1.00 5.31 H new ATOM 0 HB3 ALA A 18 1.142 3.810 5.357 1.00 5.31 H new ATOM 316 N GLN A 19 0.401 2.875 2.823 1.00 11.33 N ATOM 317 CA GLN A 19 0.671 3.027 1.383 1.00 31.31 C ATOM 318 C GLN A 19 -0.236 2.119 0.536 1.00 43.42 C ATOM 319 O GLN A 19 -0.536 2.482 -0.594 1.00 55.00 O ATOM 320 CB GLN A 19 2.161 2.730 1.099 1.00 42.30 C ATOM 321 CG GLN A 19 2.613 1.332 1.583 1.00 15.33 C ATOM 322 CD GLN A 19 2.615 0.231 0.517 1.00 55.33 C ATOM 323 OE1 GLN A 19 2.867 0.475 -0.657 1.00 44.34 O ATOM 324 NE2 GLN A 19 2.265 -0.978 0.926 1.00 31.11 N ATOM 0 H GLN A 19 1.171 2.450 3.340 1.00 11.33 H new ATOM 0 HA GLN A 19 0.449 4.056 1.101 1.00 31.31 H new ATOM 0 HB2 GLN A 19 2.342 2.811 0.027 1.00 42.30 H new ATOM 0 HB3 GLN A 19 2.774 3.490 1.584 1.00 42.30 H new ATOM 0 HG2 GLN A 19 3.619 1.417 1.994 1.00 15.33 H new ATOM 0 HG3 GLN A 19 1.961 1.021 2.399 1.00 15.33 H new ATOM 0 HE21 GLN A 19 2.062 -1.144 1.912 1.00 31.11 H new ATOM 0 HE22 GLN A 19 2.198 -1.744 0.255 1.00 31.11 H new ATOM 333 N LEU A 20 -0.642 0.938 1.069 1.00 34.32 N ATOM 334 CA LEU A 20 -1.609 0.062 0.359 1.00 2.31 C ATOM 335 C LEU A 20 -2.974 0.740 0.332 1.00 73.44 C ATOM 336 O LEU A 20 -3.623 0.770 -0.710 1.00 4.32 O ATOM 337 CB LEU A 20 -1.682 -1.383 0.981 1.00 71.50 C ATOM 338 CG LEU A 20 -2.758 -1.713 2.108 1.00 42.40 C ATOM 339 CD1 LEU A 20 -4.156 -2.062 1.527 1.00 13.43 C ATOM 340 CD2 LEU A 20 -2.284 -2.839 3.047 1.00 14.00 C ATOM 0 H LEU A 20 -0.323 0.576 1.968 1.00 34.32 H new ATOM 0 HA LEU A 20 -1.261 -0.078 -0.664 1.00 2.31 H new ATOM 0 HB2 LEU A 20 -1.848 -2.081 0.160 1.00 71.50 H new ATOM 0 HB3 LEU A 20 -0.699 -1.607 1.396 1.00 71.50 H new ATOM 0 HG LEU A 20 -2.860 -0.795 2.687 1.00 42.40 H new ATOM 0 HD11 LEU A 20 -4.846 -2.277 2.343 1.00 13.43 H new ATOM 0 HD12 LEU A 20 -4.531 -1.218 0.948 1.00 13.43 H new ATOM 0 HD13 LEU A 20 -4.074 -2.936 0.881 1.00 13.43 H new ATOM 0 HD21 LEU A 20 -3.049 -3.031 3.800 1.00 14.00 H new ATOM 0 HD22 LEU A 20 -2.109 -3.746 2.468 1.00 14.00 H new ATOM 0 HD23 LEU A 20 -1.359 -2.538 3.538 1.00 14.00 H new ATOM 352 N HIS A 21 -3.391 1.278 1.503 1.00 64.35 N ATOM 353 CA HIS A 21 -4.670 1.997 1.662 1.00 42.02 C ATOM 354 C HIS A 21 -4.735 3.153 0.658 1.00 42.45 C ATOM 355 O HIS A 21 -5.721 3.320 -0.066 1.00 5.31 O ATOM 356 CB HIS A 21 -4.794 2.511 3.125 1.00 63.10 C ATOM 357 CG HIS A 21 -6.003 3.372 3.412 1.00 5.14 C ATOM 358 ND1 HIS A 21 -7.214 2.859 3.809 1.00 42.11 N ATOM 359 CD2 HIS A 21 -6.164 4.722 3.388 1.00 54.23 C ATOM 360 CE1 HIS A 21 -8.065 3.844 4.016 1.00 13.24 C ATOM 361 NE2 HIS A 21 -7.451 4.979 3.772 1.00 15.43 N ATOM 0 H HIS A 21 -2.846 1.223 2.363 1.00 64.35 H new ATOM 0 HA HIS A 21 -5.506 1.326 1.463 1.00 42.02 H new ATOM 0 HB2 HIS A 21 -4.816 1.650 3.793 1.00 63.10 H new ATOM 0 HB3 HIS A 21 -3.898 3.081 3.369 1.00 63.10 H new ATOM 0 HD2 HIS A 21 -5.417 5.453 3.117 1.00 54.23 H new ATOM 0 HE1 HIS A 21 -9.092 3.736 4.332 1.00 13.24 H new ATOM 0 HE2 HIS A 21 -7.868 5.906 3.856 1.00 15.43 H new ATOM 370 N ASP A 22 -3.624 3.887 0.602 1.00 31.42 N ATOM 371 CA ASP A 22 -3.432 5.049 -0.263 1.00 43.13 C ATOM 372 C ASP A 22 -3.470 4.639 -1.749 1.00 72.30 C ATOM 373 O ASP A 22 -4.191 5.246 -2.544 1.00 65.13 O ATOM 374 CB ASP A 22 -2.086 5.720 0.109 1.00 34.53 C ATOM 375 CG ASP A 22 -1.769 6.969 -0.721 1.00 13.11 C ATOM 376 OD1 ASP A 22 -0.833 6.931 -1.542 1.00 60.20 O ATOM 377 OD2 ASP A 22 -2.461 7.996 -0.552 1.00 72.11 O ATOM 0 H ASP A 22 -2.807 3.682 1.177 1.00 31.42 H new ATOM 0 HA ASP A 22 -4.242 5.763 -0.113 1.00 43.13 H new ATOM 0 HB2 ASP A 22 -2.105 5.991 1.164 1.00 34.53 H new ATOM 0 HB3 ASP A 22 -1.282 4.996 -0.019 1.00 34.53 H new ATOM 382 N THR A 23 -2.731 3.565 -2.099 1.00 41.30 N ATOM 383 CA THR A 23 -2.631 3.085 -3.491 1.00 74.25 C ATOM 384 C THR A 23 -3.954 2.441 -3.956 1.00 15.20 C ATOM 385 O THR A 23 -4.260 2.470 -5.143 1.00 73.10 O ATOM 386 CB THR A 23 -1.416 2.115 -3.714 1.00 20.32 C ATOM 387 OG1 THR A 23 -0.208 2.758 -3.283 1.00 1.03 O ATOM 388 CG2 THR A 23 -1.239 1.712 -5.198 1.00 73.35 C ATOM 0 H THR A 23 -2.193 3.012 -1.432 1.00 41.30 H new ATOM 0 HA THR A 23 -2.444 3.963 -4.109 1.00 74.25 H new ATOM 0 HB THR A 23 -1.620 1.214 -3.136 1.00 20.32 H new ATOM 0 HG1 THR A 23 -0.140 2.706 -2.307 1.00 1.03 H new ATOM 0 HG21 THR A 23 -0.385 1.041 -5.294 1.00 73.35 H new ATOM 0 HG22 THR A 23 -2.139 1.206 -5.547 1.00 73.35 H new ATOM 0 HG23 THR A 23 -1.068 2.605 -5.800 1.00 73.35 H new ATOM 396 N ASN A 24 -4.755 1.905 -3.008 1.00 65.41 N ATOM 397 CA ASN A 24 -6.081 1.320 -3.319 1.00 34.14 C ATOM 398 C ASN A 24 -7.088 2.437 -3.648 1.00 12.41 C ATOM 399 O ASN A 24 -7.888 2.293 -4.573 1.00 21.04 O ATOM 400 CB ASN A 24 -6.628 0.427 -2.159 1.00 1.14 C ATOM 401 CG ASN A 24 -6.051 -1.002 -2.109 1.00 4.25 C ATOM 402 OD1 ASN A 24 -4.752 -1.159 -2.279 1.00 52.45 O flip ATOM 403 ND2 ASN A 24 -6.781 -1.961 -1.872 1.00 44.11 N flip ATOM 0 H ASN A 24 -4.507 1.865 -2.019 1.00 65.41 H new ATOM 0 HA ASN A 24 -5.952 0.674 -4.188 1.00 34.14 H new ATOM 0 HB2 ASN A 24 -6.418 0.921 -1.210 1.00 1.14 H new ATOM 0 HB3 ASN A 24 -7.712 0.362 -2.251 1.00 1.14 H new ATOM 0 HD21 ASN A 24 -7.783 -1.820 -1.744 1.00 44.11 H new ATOM 0 HD22 ASN A 24 -6.385 -2.899 -1.804 1.00 44.11 H new ATOM 410 N MET A 25 -7.041 3.545 -2.882 1.00 53.41 N ATOM 411 CA MET A 25 -7.952 4.690 -3.073 1.00 64.12 C ATOM 412 C MET A 25 -7.654 5.431 -4.392 1.00 34.23 C ATOM 413 O MET A 25 -8.580 5.831 -5.100 1.00 43.03 O ATOM 414 CB MET A 25 -7.863 5.648 -1.859 1.00 44.33 C ATOM 415 CG MET A 25 -8.228 5.029 -0.495 1.00 62.21 C ATOM 416 SD MET A 25 -10.013 4.898 -0.168 1.00 3.44 S ATOM 417 CE MET A 25 -10.526 3.431 -1.074 1.00 23.42 C ATOM 0 H MET A 25 -6.376 3.671 -2.119 1.00 53.41 H new ATOM 0 HA MET A 25 -8.972 4.311 -3.141 1.00 64.12 H new ATOM 0 HB2 MET A 25 -6.847 6.039 -1.801 1.00 44.33 H new ATOM 0 HB3 MET A 25 -8.521 6.498 -2.040 1.00 44.33 H new ATOM 0 HG2 MET A 25 -7.788 4.034 -0.434 1.00 62.21 H new ATOM 0 HG3 MET A 25 -7.772 5.628 0.293 1.00 62.21 H new ATOM 0 HE1 MET A 25 -11.297 2.906 -0.510 1.00 23.42 H new ATOM 0 HE2 MET A 25 -10.923 3.724 -2.046 1.00 23.42 H new ATOM 0 HE3 MET A 25 -9.669 2.773 -1.216 1.00 23.42 H new ATOM 427 N GLU A 26 -6.354 5.577 -4.726 1.00 24.42 N ATOM 428 CA GLU A 26 -5.927 6.256 -5.969 1.00 44.31 C ATOM 429 C GLU A 26 -6.057 5.309 -7.178 1.00 60.45 C ATOM 430 O GLU A 26 -6.103 5.777 -8.305 1.00 11.33 O ATOM 431 CB GLU A 26 -4.482 6.804 -5.852 1.00 33.03 C ATOM 432 CG GLU A 26 -3.400 5.718 -5.749 1.00 54.44 C ATOM 433 CD GLU A 26 -1.965 6.259 -5.689 1.00 3.31 C ATOM 434 OE1 GLU A 26 -1.565 7.002 -6.611 1.00 32.11 O ATOM 435 OE2 GLU A 26 -1.210 5.913 -4.749 1.00 65.23 O ATOM 0 H GLU A 26 -5.583 5.234 -4.153 1.00 24.42 H new ATOM 0 HA GLU A 26 -6.589 7.108 -6.124 1.00 44.31 H new ATOM 0 HB2 GLU A 26 -4.272 7.429 -6.720 1.00 33.03 H new ATOM 0 HB3 GLU A 26 -4.420 7.447 -4.974 1.00 33.03 H new ATOM 0 HG2 GLU A 26 -3.587 5.119 -4.858 1.00 54.44 H new ATOM 0 HG3 GLU A 26 -3.489 5.051 -6.606 1.00 54.44 H new ATOM 442 N LEU A 27 -6.079 3.983 -6.925 1.00 51.35 N ATOM 443 CA LEU A 27 -6.416 2.963 -7.938 1.00 35.13 C ATOM 444 C LEU A 27 -7.882 3.136 -8.353 1.00 64.11 C ATOM 445 O LEU A 27 -8.186 3.286 -9.541 1.00 41.13 O ATOM 446 CB LEU A 27 -6.138 1.545 -7.343 1.00 50.23 C ATOM 447 CG LEU A 27 -6.305 0.273 -8.258 1.00 15.31 C ATOM 448 CD1 LEU A 27 -5.502 -0.896 -7.667 1.00 44.40 C ATOM 449 CD2 LEU A 27 -7.782 -0.163 -8.446 1.00 24.15 C ATOM 0 H LEU A 27 -5.863 3.590 -6.009 1.00 51.35 H new ATOM 0 HA LEU A 27 -5.800 3.079 -8.830 1.00 35.13 H new ATOM 0 HB2 LEU A 27 -5.115 1.544 -6.966 1.00 50.23 H new ATOM 0 HB3 LEU A 27 -6.795 1.417 -6.483 1.00 50.23 H new ATOM 0 HG LEU A 27 -5.928 0.547 -9.243 1.00 15.31 H new ATOM 0 HD11 LEU A 27 -5.619 -1.775 -8.301 1.00 44.40 H new ATOM 0 HD12 LEU A 27 -4.448 -0.624 -7.615 1.00 44.40 H new ATOM 0 HD13 LEU A 27 -5.869 -1.120 -6.665 1.00 44.40 H new ATOM 0 HD21 LEU A 27 -7.823 -1.044 -9.086 1.00 24.15 H new ATOM 0 HD22 LEU A 27 -8.218 -0.400 -7.475 1.00 24.15 H new ATOM 0 HD23 LEU A 27 -8.345 0.648 -8.908 1.00 24.15 H new ATOM 461 N THR A 28 -8.777 3.125 -7.345 1.00 43.42 N ATOM 462 CA THR A 28 -10.227 3.277 -7.535 1.00 42.21 C ATOM 463 C THR A 28 -10.544 4.622 -8.238 1.00 43.35 C ATOM 464 O THR A 28 -11.415 4.697 -9.129 1.00 60.21 O ATOM 465 CB THR A 28 -10.946 3.191 -6.147 1.00 24.03 C ATOM 466 OG1 THR A 28 -10.476 2.039 -5.431 1.00 20.23 O ATOM 467 CG2 THR A 28 -12.474 3.104 -6.266 1.00 71.25 C ATOM 0 H THR A 28 -8.507 3.009 -6.368 1.00 43.42 H new ATOM 0 HA THR A 28 -10.593 2.472 -8.173 1.00 42.21 H new ATOM 0 HB THR A 28 -10.707 4.112 -5.614 1.00 24.03 H new ATOM 0 HG1 THR A 28 -9.605 2.237 -5.028 1.00 20.23 H new ATOM 0 HG21 THR A 28 -12.914 3.047 -5.270 1.00 71.25 H new ATOM 0 HG22 THR A 28 -12.850 3.989 -6.778 1.00 71.25 H new ATOM 0 HG23 THR A 28 -12.745 2.214 -6.834 1.00 71.25 H new ATOM 475 N ASP A 29 -9.771 5.657 -7.855 1.00 41.45 N ATOM 476 CA ASP A 29 -9.833 6.993 -8.459 1.00 32.43 C ATOM 477 C ASP A 29 -9.417 6.917 -9.941 1.00 42.35 C ATOM 478 O ASP A 29 -10.191 7.304 -10.811 1.00 2.34 O ATOM 479 CB ASP A 29 -8.905 7.964 -7.683 1.00 43.01 C ATOM 480 CG ASP A 29 -8.950 9.407 -8.214 1.00 24.21 C ATOM 481 OD1 ASP A 29 -8.187 9.737 -9.152 1.00 62.34 O ATOM 482 OD2 ASP A 29 -9.740 10.225 -7.692 1.00 5.22 O ATOM 0 H ASP A 29 -9.080 5.583 -7.109 1.00 41.45 H new ATOM 0 HA ASP A 29 -10.855 7.368 -8.403 1.00 32.43 H new ATOM 0 HB2 ASP A 29 -9.189 7.963 -6.631 1.00 43.01 H new ATOM 0 HB3 ASP A 29 -7.880 7.597 -7.737 1.00 43.01 H new ATOM 487 N LEU A 30 -8.217 6.344 -10.196 1.00 23.14 N ATOM 488 CA LEU A 30 -7.578 6.332 -11.541 1.00 51.55 C ATOM 489 C LEU A 30 -8.444 5.609 -12.586 1.00 45.03 C ATOM 490 O LEU A 30 -8.463 6.020 -13.745 1.00 52.41 O ATOM 491 CB LEU A 30 -6.118 5.725 -11.528 1.00 52.22 C ATOM 492 CG LEU A 30 -4.948 6.750 -11.757 1.00 60.31 C ATOM 493 CD1 LEU A 30 -4.732 7.645 -10.528 1.00 52.25 C ATOM 494 CD2 LEU A 30 -3.637 6.050 -12.187 1.00 14.45 C ATOM 0 H LEU A 30 -7.662 5.877 -9.479 1.00 23.14 H new ATOM 0 HA LEU A 30 -7.493 7.380 -11.828 1.00 51.55 H new ATOM 0 HB2 LEU A 30 -5.959 5.230 -10.570 1.00 52.22 H new ATOM 0 HB3 LEU A 30 -6.058 4.956 -12.298 1.00 52.22 H new ATOM 0 HG LEU A 30 -5.249 7.395 -12.583 1.00 60.31 H new ATOM 0 HD11 LEU A 30 -3.916 8.340 -10.723 1.00 52.25 H new ATOM 0 HD12 LEU A 30 -5.644 8.205 -10.321 1.00 52.25 H new ATOM 0 HD13 LEU A 30 -4.483 7.026 -9.666 1.00 52.25 H new ATOM 0 HD21 LEU A 30 -2.857 6.797 -12.334 1.00 14.45 H new ATOM 0 HD22 LEU A 30 -3.327 5.349 -11.411 1.00 14.45 H new ATOM 0 HD23 LEU A 30 -3.802 5.510 -13.119 1.00 14.45 H new ATOM 506 N LYS A 31 -9.144 4.534 -12.165 1.00 31.51 N ATOM 507 CA LYS A 31 -10.012 3.739 -13.061 1.00 11.04 C ATOM 508 C LYS A 31 -11.368 4.440 -13.294 1.00 73.32 C ATOM 509 O LYS A 31 -11.950 4.328 -14.390 1.00 3.51 O ATOM 510 CB LYS A 31 -10.165 2.267 -12.543 1.00 3.40 C ATOM 511 CG LYS A 31 -10.851 2.040 -11.158 1.00 52.33 C ATOM 512 CD LYS A 31 -12.404 2.096 -11.190 1.00 60.23 C ATOM 513 CE LYS A 31 -13.009 1.114 -12.208 1.00 62.21 C ATOM 514 NZ LYS A 31 -14.478 1.303 -12.355 1.00 60.12 N ATOM 0 H LYS A 31 -9.124 4.195 -11.203 1.00 31.51 H new ATOM 0 HA LYS A 31 -9.529 3.674 -14.036 1.00 11.04 H new ATOM 0 HB2 LYS A 31 -10.729 1.708 -13.290 1.00 3.40 H new ATOM 0 HB3 LYS A 31 -9.170 1.825 -12.498 1.00 3.40 H new ATOM 0 HG2 LYS A 31 -10.543 1.069 -10.769 1.00 52.33 H new ATOM 0 HG3 LYS A 31 -10.487 2.793 -10.459 1.00 52.33 H new ATOM 0 HD2 LYS A 31 -12.793 1.870 -10.197 1.00 60.23 H new ATOM 0 HD3 LYS A 31 -12.723 3.109 -11.434 1.00 60.23 H new ATOM 0 HE2 LYS A 31 -12.527 1.251 -13.176 1.00 62.21 H new ATOM 0 HE3 LYS A 31 -12.804 0.091 -11.892 1.00 62.21 H new ATOM 0 HZ1 LYS A 31 -14.848 0.623 -13.049 1.00 60.12 H new ATOM 0 HZ2 LYS A 31 -14.942 1.147 -11.437 1.00 60.12 H new ATOM 0 HZ3 LYS A 31 -14.673 2.271 -12.681 1.00 60.12 H new ATOM 528 N LEU A 32 -11.864 5.156 -12.259 1.00 1.11 N ATOM 529 CA LEU A 32 -13.115 5.928 -12.344 1.00 63.33 C ATOM 530 C LEU A 32 -12.969 7.032 -13.404 1.00 61.51 C ATOM 531 O LEU A 32 -13.730 7.087 -14.379 1.00 51.33 O ATOM 532 CB LEU A 32 -13.494 6.537 -10.964 1.00 11.34 C ATOM 533 CG LEU A 32 -14.733 7.496 -10.950 1.00 30.20 C ATOM 534 CD1 LEU A 32 -16.027 6.784 -11.415 1.00 30.34 C ATOM 535 CD2 LEU A 32 -14.913 8.164 -9.569 1.00 10.02 C ATOM 0 H LEU A 32 -11.408 5.212 -11.348 1.00 1.11 H new ATOM 0 HA LEU A 32 -13.921 5.255 -12.638 1.00 63.33 H new ATOM 0 HB2 LEU A 32 -13.685 5.719 -10.269 1.00 11.34 H new ATOM 0 HB3 LEU A 32 -12.632 7.084 -10.582 1.00 11.34 H new ATOM 0 HG LEU A 32 -14.533 8.287 -11.673 1.00 30.20 H new ATOM 0 HD11 LEU A 32 -16.859 7.488 -11.389 1.00 30.34 H new ATOM 0 HD12 LEU A 32 -15.894 6.416 -12.433 1.00 30.34 H new ATOM 0 HD13 LEU A 32 -16.240 5.946 -10.751 1.00 30.34 H new ATOM 0 HD21 LEU A 32 -15.781 8.823 -9.594 1.00 10.02 H new ATOM 0 HD22 LEU A 32 -15.062 7.396 -8.810 1.00 10.02 H new ATOM 0 HD23 LEU A 32 -14.023 8.745 -9.327 1.00 10.02 H new ATOM 547 N GLN A 33 -11.953 7.890 -13.213 1.00 51.14 N ATOM 548 CA GLN A 33 -11.661 8.990 -14.139 1.00 2.35 C ATOM 549 C GLN A 33 -11.256 8.446 -15.534 1.00 51.01 C ATOM 550 O GLN A 33 -11.601 9.061 -16.560 1.00 74.21 O ATOM 551 CB GLN A 33 -10.566 9.917 -13.548 1.00 44.43 C ATOM 552 CG GLN A 33 -9.259 9.194 -13.163 1.00 65.43 C ATOM 553 CD GLN A 33 -8.066 10.101 -12.870 1.00 70.24 C ATOM 554 OE1 GLN A 33 -8.200 11.240 -12.436 1.00 33.40 O ATOM 555 NE2 GLN A 33 -6.884 9.565 -13.100 1.00 2.50 N ATOM 0 H GLN A 33 -11.317 7.839 -12.417 1.00 51.14 H new ATOM 0 HA GLN A 33 -12.566 9.583 -14.272 1.00 2.35 H new ATOM 0 HB2 GLN A 33 -10.336 10.696 -14.275 1.00 44.43 H new ATOM 0 HB3 GLN A 33 -10.966 10.414 -12.664 1.00 44.43 H new ATOM 0 HG2 GLN A 33 -9.450 8.579 -12.283 1.00 65.43 H new ATOM 0 HG3 GLN A 33 -8.987 8.516 -13.972 1.00 65.43 H new ATOM 0 HE21 GLN A 33 -6.817 8.614 -13.461 1.00 2.50 H new ATOM 0 HE22 GLN A 33 -6.036 10.102 -12.916 1.00 2.50 H new ATOM 564 N LEU A 34 -10.556 7.274 -15.551 1.00 52.23 N ATOM 565 CA LEU A 34 -10.128 6.577 -16.786 1.00 3.01 C ATOM 566 C LEU A 34 -11.282 6.481 -17.777 1.00 2.45 C ATOM 567 O LEU A 34 -11.201 7.086 -18.859 1.00 0.45 O ATOM 568 CB LEU A 34 -9.573 5.152 -16.466 1.00 65.20 C ATOM 569 CG LEU A 34 -9.304 4.186 -17.670 1.00 53.10 C ATOM 570 CD1 LEU A 34 -8.369 4.815 -18.729 1.00 73.43 C ATOM 571 CD2 LEU A 34 -8.773 2.818 -17.170 1.00 21.44 C ATOM 0 H LEU A 34 -10.275 6.789 -14.699 1.00 52.23 H new ATOM 0 HA LEU A 34 -9.326 7.162 -17.237 1.00 3.01 H new ATOM 0 HB2 LEU A 34 -8.639 5.272 -15.917 1.00 65.20 H new ATOM 0 HB3 LEU A 34 -10.277 4.661 -15.794 1.00 65.20 H new ATOM 0 HG LEU A 34 -10.257 4.013 -18.169 1.00 53.10 H new ATOM 0 HD11 LEU A 34 -8.213 4.107 -19.543 1.00 73.43 H new ATOM 0 HD12 LEU A 34 -8.824 5.725 -19.121 1.00 73.43 H new ATOM 0 HD13 LEU A 34 -7.410 5.057 -18.270 1.00 73.43 H new ATOM 0 HD21 LEU A 34 -8.593 2.164 -18.023 1.00 21.44 H new ATOM 0 HD22 LEU A 34 -7.841 2.967 -16.624 1.00 21.44 H new ATOM 0 HD23 LEU A 34 -9.511 2.360 -16.511 1.00 21.44 H new ATOM 774 N PHE B 102 9.394 -15.973 21.294 1.00 33.14 N ATOM 775 CA PHE B 102 9.413 -14.757 20.457 1.00 14.24 C ATOM 776 C PHE B 102 9.662 -15.087 18.974 1.00 22.22 C ATOM 777 O PHE B 102 9.509 -14.214 18.097 1.00 12.41 O ATOM 778 CB PHE B 102 10.491 -13.807 20.998 1.00 11.53 C ATOM 779 CG PHE B 102 10.256 -13.367 22.447 1.00 11.11 C ATOM 780 CD1 PHE B 102 10.932 -13.968 23.512 1.00 15.32 C ATOM 781 CD2 PHE B 102 9.348 -12.353 22.739 1.00 54.01 C ATOM 782 CE1 PHE B 102 10.707 -13.555 24.813 1.00 64.15 C ATOM 783 CE2 PHE B 102 9.125 -11.941 24.031 1.00 31.23 C ATOM 784 CZ PHE B 102 9.804 -12.541 25.075 1.00 55.54 C ATOM 0 HA PHE B 102 8.436 -14.276 20.507 1.00 14.24 H new ATOM 0 HB2 PHE B 102 11.462 -14.298 20.930 1.00 11.53 H new ATOM 0 HB3 PHE B 102 10.535 -12.923 20.362 1.00 11.53 H new ATOM 0 HD1 PHE B 102 11.637 -14.763 23.318 1.00 15.32 H new ATOM 0 HD2 PHE B 102 8.807 -11.880 21.933 1.00 54.01 H new ATOM 0 HE1 PHE B 102 11.238 -14.026 25.627 1.00 64.15 H new ATOM 0 HE2 PHE B 102 8.419 -11.148 24.231 1.00 31.23 H new ATOM 0 HZ PHE B 102 9.630 -12.219 26.091 1.00 55.54 H new ATOM 794 N LYS B 103 10.038 -16.358 18.701 1.00 73.43 N ATOM 795 CA LYS B 103 10.226 -16.866 17.329 1.00 40.31 C ATOM 796 C LYS B 103 8.929 -16.680 16.517 1.00 62.00 C ATOM 797 O LYS B 103 8.956 -16.296 15.337 1.00 62.30 O ATOM 798 CB LYS B 103 10.676 -18.370 17.322 1.00 11.42 C ATOM 799 CG LYS B 103 9.581 -19.445 17.603 1.00 11.13 C ATOM 800 CD LYS B 103 9.114 -19.547 19.085 1.00 71.25 C ATOM 801 CE LYS B 103 9.979 -20.491 19.957 1.00 3.44 C ATOM 802 NZ LYS B 103 11.387 -20.026 20.110 1.00 3.02 N ATOM 0 H LYS B 103 10.218 -17.054 19.424 1.00 73.43 H new ATOM 0 HA LYS B 103 11.024 -16.289 16.862 1.00 40.31 H new ATOM 0 HB2 LYS B 103 11.119 -18.585 16.349 1.00 11.42 H new ATOM 0 HB3 LYS B 103 11.465 -18.490 18.065 1.00 11.42 H new ATOM 0 HG2 LYS B 103 8.713 -19.228 16.980 1.00 11.13 H new ATOM 0 HG3 LYS B 103 9.962 -20.418 17.291 1.00 11.13 H new ATOM 0 HD2 LYS B 103 9.124 -18.551 19.527 1.00 71.25 H new ATOM 0 HD3 LYS B 103 8.081 -19.895 19.106 1.00 71.25 H new ATOM 0 HE2 LYS B 103 9.524 -20.582 20.943 1.00 3.44 H new ATOM 0 HE3 LYS B 103 9.979 -21.487 19.513 1.00 3.44 H new ATOM 0 HZ1 LYS B 103 11.830 -20.517 20.913 1.00 3.02 H new ATOM 0 HZ2 LYS B 103 11.918 -20.235 19.241 1.00 3.02 H new ATOM 0 HZ3 LYS B 103 11.397 -19.001 20.284 1.00 3.02 H new ATOM 816 N LYS B 104 7.787 -16.904 17.210 1.00 11.20 N ATOM 817 CA LYS B 104 6.458 -16.787 16.615 1.00 64.21 C ATOM 818 C LYS B 104 6.149 -15.333 16.284 1.00 55.24 C ATOM 819 O LYS B 104 5.628 -15.089 15.210 1.00 60.40 O ATOM 820 CB LYS B 104 5.361 -17.439 17.515 1.00 55.30 C ATOM 821 CG LYS B 104 5.260 -16.921 18.978 1.00 53.12 C ATOM 822 CD LYS B 104 4.310 -15.715 19.198 1.00 31.44 C ATOM 823 CE LYS B 104 2.866 -15.979 18.745 1.00 22.44 C ATOM 824 NZ LYS B 104 1.964 -14.859 19.126 1.00 75.40 N ATOM 0 H LYS B 104 7.774 -17.170 18.195 1.00 11.20 H new ATOM 0 HA LYS B 104 6.453 -17.345 15.679 1.00 64.21 H new ATOM 0 HB2 LYS B 104 4.394 -17.291 17.034 1.00 55.30 H new ATOM 0 HB3 LYS B 104 5.541 -18.514 17.546 1.00 55.30 H new ATOM 0 HG2 LYS B 104 4.928 -17.742 19.613 1.00 53.12 H new ATOM 0 HG3 LYS B 104 6.258 -16.641 19.315 1.00 53.12 H new ATOM 0 HD2 LYS B 104 4.308 -15.453 20.256 1.00 31.44 H new ATOM 0 HD3 LYS B 104 4.700 -14.853 18.657 1.00 31.44 H new ATOM 0 HE2 LYS B 104 2.842 -16.116 17.664 1.00 22.44 H new ATOM 0 HE3 LYS B 104 2.507 -16.906 19.192 1.00 22.44 H new ATOM 0 HZ1 LYS B 104 0.997 -15.068 18.806 1.00 75.40 H new ATOM 0 HZ2 LYS B 104 1.970 -14.745 20.160 1.00 75.40 H new ATOM 0 HZ3 LYS B 104 2.294 -13.980 18.679 1.00 75.40 H new ATOM 838 N LEU B 105 6.506 -14.366 17.181 1.00 33.03 N ATOM 839 CA LEU B 105 6.163 -12.937 16.965 1.00 51.05 C ATOM 840 C LEU B 105 6.778 -12.471 15.640 1.00 14.41 C ATOM 841 O LEU B 105 6.114 -11.783 14.840 1.00 23.54 O ATOM 842 CB LEU B 105 6.559 -12.014 18.198 1.00 4.20 C ATOM 843 CG LEU B 105 8.012 -11.370 18.299 1.00 3.23 C ATOM 844 CD1 LEU B 105 8.248 -10.200 17.319 1.00 23.44 C ATOM 845 CD2 LEU B 105 8.323 -10.884 19.727 1.00 60.51 C ATOM 0 H LEU B 105 7.021 -14.550 18.042 1.00 33.03 H new ATOM 0 HA LEU B 105 5.079 -12.841 16.895 1.00 51.05 H new ATOM 0 HB2 LEU B 105 5.842 -11.194 18.228 1.00 4.20 H new ATOM 0 HB3 LEU B 105 6.406 -12.604 19.102 1.00 4.20 H new ATOM 0 HG LEU B 105 8.687 -12.180 18.022 1.00 3.23 H new ATOM 0 HD11 LEU B 105 9.260 -9.815 17.449 1.00 23.44 H new ATOM 0 HD12 LEU B 105 8.122 -10.552 16.295 1.00 23.44 H new ATOM 0 HD13 LEU B 105 7.529 -9.406 17.521 1.00 23.44 H new ATOM 0 HD21 LEU B 105 9.323 -10.451 19.754 1.00 60.51 H new ATOM 0 HD22 LEU B 105 7.593 -10.130 20.022 1.00 60.51 H new ATOM 0 HD23 LEU B 105 8.273 -11.726 20.417 1.00 60.51 H new ATOM 857 N TYR B 106 8.061 -12.874 15.433 1.00 2.12 N ATOM 858 CA TYR B 106 8.800 -12.561 14.207 1.00 45.31 C ATOM 859 C TYR B 106 8.041 -13.104 12.980 1.00 2.42 C ATOM 860 O TYR B 106 7.743 -12.352 12.057 1.00 71.44 O ATOM 861 CB TYR B 106 10.243 -13.126 14.274 1.00 3.32 C ATOM 862 CG TYR B 106 11.194 -12.544 13.202 1.00 74.15 C ATOM 863 CD1 TYR B 106 11.703 -11.247 13.336 1.00 35.30 C ATOM 864 CD2 TYR B 106 11.572 -13.266 12.066 1.00 40.22 C ATOM 865 CE1 TYR B 106 12.544 -10.696 12.392 1.00 75.43 C ATOM 866 CE2 TYR B 106 12.417 -12.715 11.117 1.00 31.23 C ATOM 867 CZ TYR B 106 12.900 -11.433 11.286 1.00 61.40 C ATOM 868 OH TYR B 106 13.758 -10.896 10.357 1.00 1.10 O ATOM 0 H TYR B 106 8.595 -13.418 16.111 1.00 2.12 H new ATOM 0 HA TYR B 106 8.877 -11.478 14.109 1.00 45.31 H new ATOM 0 HB2 TYR B 106 10.657 -12.923 15.262 1.00 3.32 H new ATOM 0 HB3 TYR B 106 10.204 -14.209 14.162 1.00 3.32 H new ATOM 0 HD1 TYR B 106 11.430 -10.662 14.202 1.00 35.30 H new ATOM 0 HD2 TYR B 106 11.199 -14.270 11.926 1.00 40.22 H new ATOM 0 HE1 TYR B 106 12.921 -9.692 12.520 1.00 75.43 H new ATOM 0 HE2 TYR B 106 12.698 -13.288 10.246 1.00 31.23 H new ATOM 0 HH TYR B 106 13.909 -11.544 9.638 1.00 1.10 H new ATOM 878 N GLU B 107 7.682 -14.402 13.025 1.00 34.14 N ATOM 879 CA GLU B 107 7.011 -15.095 11.909 1.00 11.31 C ATOM 880 C GLU B 107 5.605 -14.546 11.613 1.00 12.24 C ATOM 881 O GLU B 107 5.219 -14.469 10.453 1.00 44.52 O ATOM 882 CB GLU B 107 6.924 -16.607 12.215 1.00 12.03 C ATOM 883 CG GLU B 107 8.278 -17.330 12.292 1.00 12.11 C ATOM 884 CD GLU B 107 9.168 -17.121 11.047 1.00 5.11 C ATOM 885 OE1 GLU B 107 10.003 -16.182 11.040 1.00 21.31 O ATOM 886 OE2 GLU B 107 9.044 -17.885 10.072 1.00 51.25 O ATOM 0 H GLU B 107 7.849 -14.998 13.835 1.00 34.14 H new ATOM 0 HA GLU B 107 7.614 -14.918 11.018 1.00 11.31 H new ATOM 0 HB2 GLU B 107 6.402 -16.742 13.162 1.00 12.03 H new ATOM 0 HB3 GLU B 107 6.317 -17.084 11.446 1.00 12.03 H new ATOM 0 HG2 GLU B 107 8.816 -16.982 13.174 1.00 12.11 H new ATOM 0 HG3 GLU B 107 8.102 -18.397 12.426 1.00 12.11 H new ATOM 893 N GLN B 108 4.848 -14.185 12.665 1.00 35.14 N ATOM 894 CA GLN B 108 3.445 -13.732 12.522 1.00 32.43 C ATOM 895 C GLN B 108 3.380 -12.388 11.785 1.00 14.13 C ATOM 896 O GLN B 108 2.687 -12.267 10.756 1.00 3.10 O ATOM 897 CB GLN B 108 2.700 -13.622 13.889 1.00 33.23 C ATOM 898 CG GLN B 108 2.623 -14.922 14.736 1.00 3.32 C ATOM 899 CD GLN B 108 2.488 -16.207 13.913 1.00 24.02 C ATOM 900 OE1 GLN B 108 1.388 -16.648 13.594 1.00 54.52 O ATOM 901 NE2 GLN B 108 3.621 -16.795 13.560 1.00 4.41 N ATOM 0 H GLN B 108 5.183 -14.197 13.628 1.00 35.14 H new ATOM 0 HA GLN B 108 2.935 -14.496 11.935 1.00 32.43 H new ATOM 0 HB2 GLN B 108 3.191 -12.853 14.486 1.00 33.23 H new ATOM 0 HB3 GLN B 108 1.684 -13.277 13.698 1.00 33.23 H new ATOM 0 HG2 GLN B 108 3.519 -14.993 15.353 1.00 3.32 H new ATOM 0 HG3 GLN B 108 1.773 -14.849 15.415 1.00 3.32 H new ATOM 0 HE21 GLN B 108 4.514 -16.395 13.847 1.00 4.41 H new ATOM 0 HE22 GLN B 108 3.600 -17.648 13.001 1.00 4.41 H new ATOM 910 N ILE B 109 4.113 -11.379 12.307 1.00 20.03 N ATOM 911 CA ILE B 109 4.128 -10.034 11.700 1.00 3.13 C ATOM 912 C ILE B 109 4.780 -10.081 10.300 1.00 72.52 C ATOM 913 O ILE B 109 4.326 -9.389 9.392 1.00 3.42 O ATOM 914 CB ILE B 109 4.880 -8.961 12.572 1.00 44.33 C ATOM 915 CG1 ILE B 109 4.482 -9.052 14.073 1.00 32.11 C ATOM 916 CG2 ILE B 109 4.606 -7.532 12.023 1.00 23.24 C ATOM 917 CD1 ILE B 109 5.283 -8.138 14.975 1.00 4.14 C ATOM 0 H ILE B 109 4.696 -11.471 13.139 1.00 20.03 H new ATOM 0 HA ILE B 109 3.084 -9.729 11.630 1.00 3.13 H new ATOM 0 HB ILE B 109 5.948 -9.171 12.504 1.00 44.33 H new ATOM 0 HG12 ILE B 109 3.424 -8.810 14.174 1.00 32.11 H new ATOM 0 HG13 ILE B 109 4.607 -10.081 14.411 1.00 32.11 H new ATOM 0 HG21 ILE B 109 5.132 -6.800 12.636 1.00 23.24 H new ATOM 0 HG22 ILE B 109 4.958 -7.464 10.994 1.00 23.24 H new ATOM 0 HG23 ILE B 109 3.535 -7.329 12.055 1.00 23.24 H new ATOM 0 HD11 ILE B 109 4.948 -8.258 16.005 1.00 4.14 H new ATOM 0 HD12 ILE B 109 6.340 -8.393 14.905 1.00 4.14 H new ATOM 0 HD13 ILE B 109 5.139 -7.103 14.665 1.00 4.14 H new ATOM 929 N LEU B 110 5.846 -10.901 10.154 1.00 73.41 N ATOM 930 CA LEU B 110 6.578 -11.063 8.872 1.00 31.55 C ATOM 931 C LEU B 110 5.699 -11.787 7.837 1.00 0.42 C ATOM 932 O LEU B 110 5.828 -11.520 6.659 1.00 4.52 O ATOM 933 CB LEU B 110 7.945 -11.810 9.087 1.00 41.01 C ATOM 934 CG LEU B 110 9.115 -11.542 8.051 1.00 43.52 C ATOM 935 CD1 LEU B 110 8.899 -12.223 6.671 1.00 43.31 C ATOM 936 CD2 LEU B 110 9.374 -10.021 7.887 1.00 74.05 C ATOM 0 H LEU B 110 6.223 -11.466 10.915 1.00 73.41 H new ATOM 0 HA LEU B 110 6.809 -10.071 8.484 1.00 31.55 H new ATOM 0 HB2 LEU B 110 8.313 -11.552 10.080 1.00 41.01 H new ATOM 0 HB3 LEU B 110 7.742 -12.881 9.091 1.00 41.01 H new ATOM 0 HG LEU B 110 10.003 -12.009 8.477 1.00 43.52 H new ATOM 0 HD11 LEU B 110 9.740 -11.994 6.017 1.00 43.31 H new ATOM 0 HD12 LEU B 110 8.827 -13.302 6.805 1.00 43.31 H new ATOM 0 HD13 LEU B 110 7.978 -11.851 6.222 1.00 43.31 H new ATOM 0 HD21 LEU B 110 10.181 -9.864 7.171 1.00 74.05 H new ATOM 0 HD22 LEU B 110 8.468 -9.535 7.525 1.00 74.05 H new ATOM 0 HD23 LEU B 110 9.655 -9.594 8.850 1.00 74.05 H new ATOM 948 N ALA B 111 4.808 -12.691 8.286 1.00 13.33 N ATOM 949 CA ALA B 111 3.849 -13.386 7.389 1.00 60.12 C ATOM 950 C ALA B 111 2.861 -12.371 6.780 1.00 75.31 C ATOM 951 O ALA B 111 2.628 -12.366 5.560 1.00 31.41 O ATOM 952 CB ALA B 111 3.096 -14.500 8.132 1.00 42.43 C ATOM 0 H ALA B 111 4.728 -12.962 9.266 1.00 13.33 H new ATOM 0 HA ALA B 111 4.414 -13.853 6.583 1.00 60.12 H new ATOM 0 HB1 ALA B 111 2.402 -14.989 7.448 1.00 42.43 H new ATOM 0 HB2 ALA B 111 3.810 -15.232 8.510 1.00 42.43 H new ATOM 0 HB3 ALA B 111 2.541 -14.070 8.966 1.00 42.43 H new ATOM 958 N GLU B 112 2.308 -11.491 7.644 1.00 72.52 N ATOM 959 CA GLU B 112 1.426 -10.385 7.216 1.00 24.21 C ATOM 960 C GLU B 112 2.205 -9.418 6.300 1.00 41.41 C ATOM 961 O GLU B 112 1.707 -9.032 5.256 1.00 41.44 O ATOM 962 CB GLU B 112 0.865 -9.612 8.447 1.00 23.03 C ATOM 963 CG GLU B 112 0.019 -8.345 8.104 1.00 35.53 C ATOM 964 CD GLU B 112 -1.394 -8.581 7.550 1.00 5.05 C ATOM 965 OE1 GLU B 112 -2.017 -7.592 7.097 1.00 72.42 O ATOM 966 OE2 GLU B 112 -1.903 -9.724 7.564 1.00 62.55 O ATOM 0 H GLU B 112 2.460 -11.528 8.652 1.00 72.52 H new ATOM 0 HA GLU B 112 0.586 -10.809 6.666 1.00 24.21 H new ATOM 0 HB2 GLU B 112 0.249 -10.293 9.034 1.00 23.03 H new ATOM 0 HB3 GLU B 112 1.700 -9.312 9.080 1.00 23.03 H new ATOM 0 HG2 GLU B 112 -0.067 -7.740 9.007 1.00 35.53 H new ATOM 0 HG3 GLU B 112 0.574 -7.753 7.376 1.00 35.53 H new ATOM 973 N ASN B 113 3.442 -9.083 6.715 1.00 70.42 N ATOM 974 CA ASN B 113 4.319 -8.091 6.045 1.00 75.23 C ATOM 975 C ASN B 113 4.741 -8.587 4.639 1.00 64.44 C ATOM 976 O ASN B 113 4.839 -7.802 3.688 1.00 43.42 O ATOM 977 CB ASN B 113 5.574 -7.820 6.919 1.00 74.24 C ATOM 978 CG ASN B 113 6.384 -6.606 6.453 1.00 21.14 C ATOM 979 OD1 ASN B 113 6.101 -5.443 7.020 1.00 2.32 O flip ATOM 980 ND2 ASN B 113 7.254 -6.715 5.594 1.00 11.50 N flip ATOM 0 H ASN B 113 3.872 -9.500 7.541 1.00 70.42 H new ATOM 0 HA ASN B 113 3.761 -7.163 5.923 1.00 75.23 H new ATOM 0 HB2 ASN B 113 5.263 -7.666 7.952 1.00 74.24 H new ATOM 0 HB3 ASN B 113 6.214 -8.702 6.907 1.00 74.24 H new ATOM 0 HD21 ASN B 113 7.448 -7.625 5.177 1.00 11.50 H new ATOM 0 HD22 ASN B 113 7.783 -5.895 5.297 1.00 11.50 H new ATOM 987 N GLU B 114 4.973 -9.906 4.550 1.00 2.24 N ATOM 988 CA GLU B 114 5.278 -10.629 3.302 1.00 72.41 C ATOM 989 C GLU B 114 4.109 -10.480 2.325 1.00 51.04 C ATOM 990 O GLU B 114 4.300 -10.121 1.142 1.00 61.21 O ATOM 991 CB GLU B 114 5.576 -12.134 3.620 1.00 72.32 C ATOM 992 CG GLU B 114 5.152 -13.138 2.523 1.00 60.14 C ATOM 993 CD GLU B 114 5.706 -14.547 2.745 1.00 72.13 C ATOM 994 OE1 GLU B 114 4.961 -15.421 3.246 1.00 53.41 O ATOM 995 OE2 GLU B 114 6.895 -14.780 2.438 1.00 10.14 O ATOM 0 H GLU B 114 4.953 -10.517 5.366 1.00 2.24 H new ATOM 0 HA GLU B 114 6.166 -10.205 2.834 1.00 72.41 H new ATOM 0 HB2 GLU B 114 6.646 -12.246 3.798 1.00 72.32 H new ATOM 0 HB3 GLU B 114 5.069 -12.399 4.548 1.00 72.32 H new ATOM 0 HG2 GLU B 114 4.064 -13.185 2.484 1.00 60.14 H new ATOM 0 HG3 GLU B 114 5.490 -12.771 1.554 1.00 60.14 H new ATOM 1002 N LYS B 115 2.899 -10.741 2.855 1.00 12.33 N ATOM 1003 CA LYS B 115 1.656 -10.556 2.117 1.00 13.10 C ATOM 1004 C LYS B 115 1.539 -9.100 1.660 1.00 64.23 C ATOM 1005 O LYS B 115 1.224 -8.843 0.509 1.00 21.33 O ATOM 1006 CB LYS B 115 0.416 -10.925 2.979 1.00 10.54 C ATOM 1007 CG LYS B 115 -0.945 -10.673 2.268 1.00 33.13 C ATOM 1008 CD LYS B 115 -2.148 -10.599 3.235 1.00 20.11 C ATOM 1009 CE LYS B 115 -2.125 -9.319 4.087 1.00 74.23 C ATOM 1010 NZ LYS B 115 -3.280 -9.265 5.017 1.00 63.42 N ATOM 0 H LYS B 115 2.766 -11.085 3.806 1.00 12.33 H new ATOM 0 HA LYS B 115 1.680 -11.221 1.254 1.00 13.10 H new ATOM 0 HB2 LYS B 115 0.480 -11.977 3.258 1.00 10.54 H new ATOM 0 HB3 LYS B 115 0.444 -10.348 3.903 1.00 10.54 H new ATOM 0 HG2 LYS B 115 -0.884 -9.741 1.706 1.00 33.13 H new ATOM 0 HG3 LYS B 115 -1.120 -11.470 1.545 1.00 33.13 H new ATOM 0 HD2 LYS B 115 -3.075 -10.637 2.663 1.00 20.11 H new ATOM 0 HD3 LYS B 115 -2.141 -11.470 3.890 1.00 20.11 H new ATOM 0 HE2 LYS B 115 -1.196 -9.276 4.656 1.00 74.23 H new ATOM 0 HE3 LYS B 115 -2.140 -8.446 3.435 1.00 74.23 H new ATOM 0 HZ1 LYS B 115 -3.530 -8.273 5.203 1.00 63.42 H new ATOM 0 HZ2 LYS B 115 -4.093 -9.753 4.590 1.00 63.42 H new ATOM 0 HZ3 LYS B 115 -3.027 -9.731 5.912 1.00 63.42 H new ATOM 1024 N LEU B 116 1.862 -8.164 2.585 1.00 75.32 N ATOM 1025 CA LEU B 116 1.714 -6.713 2.367 1.00 14.02 C ATOM 1026 C LEU B 116 2.596 -6.226 1.203 1.00 30.44 C ATOM 1027 O LEU B 116 2.223 -5.302 0.484 1.00 23.01 O ATOM 1028 CB LEU B 116 2.021 -5.901 3.651 1.00 4.12 C ATOM 1029 CG LEU B 116 1.009 -6.059 4.825 1.00 13.53 C ATOM 1030 CD1 LEU B 116 1.489 -5.300 6.082 1.00 3.11 C ATOM 1031 CD2 LEU B 116 -0.412 -5.633 4.415 1.00 63.11 C ATOM 0 H LEU B 116 2.233 -8.400 3.505 1.00 75.32 H new ATOM 0 HA LEU B 116 0.670 -6.541 2.103 1.00 14.02 H new ATOM 0 HB2 LEU B 116 3.009 -6.189 4.010 1.00 4.12 H new ATOM 0 HB3 LEU B 116 2.074 -4.845 3.384 1.00 4.12 H new ATOM 0 HG LEU B 116 0.964 -7.119 5.076 1.00 13.53 H new ATOM 0 HD11 LEU B 116 0.762 -5.429 6.884 1.00 3.11 H new ATOM 0 HD12 LEU B 116 2.454 -5.695 6.399 1.00 3.11 H new ATOM 0 HD13 LEU B 116 1.590 -4.240 5.850 1.00 3.11 H new ATOM 0 HD21 LEU B 116 -1.088 -5.758 5.261 1.00 63.11 H new ATOM 0 HD22 LEU B 116 -0.404 -4.587 4.109 1.00 63.11 H new ATOM 0 HD23 LEU B 116 -0.752 -6.252 3.585 1.00 63.11 H new ATOM 1043 N LYS B 117 3.744 -6.876 1.024 1.00 73.04 N ATOM 1044 CA LYS B 117 4.671 -6.563 -0.074 1.00 14.54 C ATOM 1045 C LYS B 117 4.140 -7.116 -1.409 1.00 73.15 C ATOM 1046 O LYS B 117 4.232 -6.437 -2.441 1.00 24.04 O ATOM 1047 CB LYS B 117 6.086 -7.101 0.247 1.00 12.22 C ATOM 1048 CG LYS B 117 6.756 -6.390 1.450 1.00 34.41 C ATOM 1049 CD LYS B 117 8.150 -6.960 1.808 1.00 62.22 C ATOM 1050 CE LYS B 117 8.077 -8.410 2.305 1.00 51.25 C ATOM 1051 NZ LYS B 117 9.418 -8.962 2.619 1.00 50.14 N ATOM 0 H LYS B 117 4.062 -7.632 1.630 1.00 73.04 H new ATOM 0 HA LYS B 117 4.743 -5.480 -0.176 1.00 14.54 H new ATOM 0 HB2 LYS B 117 6.022 -8.169 0.455 1.00 12.22 H new ATOM 0 HB3 LYS B 117 6.719 -6.985 -0.633 1.00 12.22 H new ATOM 0 HG2 LYS B 117 6.854 -5.328 1.225 1.00 34.41 H new ATOM 0 HG3 LYS B 117 6.104 -6.473 2.320 1.00 34.41 H new ATOM 0 HD2 LYS B 117 8.796 -6.911 0.931 1.00 62.22 H new ATOM 0 HD3 LYS B 117 8.608 -6.338 2.577 1.00 62.22 H new ATOM 0 HE2 LYS B 117 7.449 -8.456 3.195 1.00 51.25 H new ATOM 0 HE3 LYS B 117 7.600 -9.029 1.546 1.00 51.25 H new ATOM 0 HZ1 LYS B 117 9.321 -9.943 2.951 1.00 50.14 H new ATOM 0 HZ2 LYS B 117 10.010 -8.943 1.764 1.00 50.14 H new ATOM 0 HZ3 LYS B 117 9.864 -8.388 3.362 1.00 50.14 H new ATOM 1065 N ALA B 118 3.544 -8.319 -1.366 1.00 4.05 N ATOM 1066 CA ALA B 118 3.010 -8.995 -2.569 1.00 42.21 C ATOM 1067 C ALA B 118 1.721 -8.307 -3.081 1.00 30.32 C ATOM 1068 O ALA B 118 1.529 -8.140 -4.298 1.00 44.31 O ATOM 1069 CB ALA B 118 2.745 -10.474 -2.266 1.00 14.34 C ATOM 0 H ALA B 118 3.417 -8.851 -0.505 1.00 4.05 H new ATOM 0 HA ALA B 118 3.758 -8.921 -3.358 1.00 42.21 H new ATOM 0 HB1 ALA B 118 2.352 -10.963 -3.157 1.00 14.34 H new ATOM 0 HB2 ALA B 118 3.676 -10.957 -1.967 1.00 14.34 H new ATOM 0 HB3 ALA B 118 2.019 -10.555 -1.457 1.00 14.34 H new ATOM 1075 N GLN B 119 0.849 -7.901 -2.132 1.00 42.32 N ATOM 1076 CA GLN B 119 -0.461 -7.297 -2.436 1.00 70.15 C ATOM 1077 C GLN B 119 -0.285 -5.846 -2.893 1.00 40.15 C ATOM 1078 O GLN B 119 -1.021 -5.397 -3.772 1.00 33.44 O ATOM 1079 CB GLN B 119 -1.424 -7.396 -1.206 1.00 34.41 C ATOM 1080 CG GLN B 119 -0.951 -6.671 0.081 1.00 11.02 C ATOM 1081 CD GLN B 119 -1.294 -5.179 0.181 1.00 72.30 C ATOM 1082 OE1 GLN B 119 -0.420 -4.424 0.823 1.00 62.12 O flip ATOM 1083 NE2 GLN B 119 -2.303 -4.710 -0.341 1.00 1.23 N flip ATOM 0 H GLN B 119 1.037 -7.984 -1.133 1.00 42.32 H new ATOM 0 HA GLN B 119 -0.918 -7.856 -3.253 1.00 70.15 H new ATOM 0 HB2 GLN B 119 -2.394 -6.990 -1.494 1.00 34.41 H new ATOM 0 HB3 GLN B 119 -1.577 -8.450 -0.972 1.00 34.41 H new ATOM 0 HG2 GLN B 119 -1.385 -7.181 0.941 1.00 11.02 H new ATOM 0 HG3 GLN B 119 0.131 -6.780 0.158 1.00 11.02 H new ATOM 0 HE21 GLN B 119 -2.957 -5.323 -0.829 1.00 1.23 H new ATOM 0 HE22 GLN B 119 -2.487 -3.708 -0.286 1.00 1.23 H new ATOM 1092 N LEU B 120 0.686 -5.118 -2.284 1.00 2.54 N ATOM 1093 CA LEU B 120 0.989 -3.729 -2.689 1.00 74.11 C ATOM 1094 C LEU B 120 1.548 -3.735 -4.101 1.00 50.53 C ATOM 1095 O LEU B 120 1.165 -2.907 -4.912 1.00 4.41 O ATOM 1096 CB LEU B 120 1.969 -3.012 -1.684 1.00 74.25 C ATOM 1097 CG LEU B 120 3.532 -2.974 -2.002 1.00 34.43 C ATOM 1098 CD1 LEU B 120 3.928 -1.785 -2.920 1.00 43.32 C ATOM 1099 CD2 LEU B 120 4.389 -2.962 -0.722 1.00 35.11 C ATOM 0 H LEU B 120 1.264 -5.468 -1.520 1.00 2.54 H new ATOM 0 HA LEU B 120 0.064 -3.153 -2.668 1.00 74.11 H new ATOM 0 HB2 LEU B 120 1.632 -1.981 -1.579 1.00 74.25 H new ATOM 0 HB3 LEU B 120 1.845 -3.488 -0.711 1.00 74.25 H new ATOM 0 HG LEU B 120 3.739 -3.897 -2.543 1.00 34.43 H new ATOM 0 HD11 LEU B 120 5.002 -1.809 -3.103 1.00 43.32 H new ATOM 0 HD12 LEU B 120 3.396 -1.865 -3.868 1.00 43.32 H new ATOM 0 HD13 LEU B 120 3.664 -0.846 -2.434 1.00 43.32 H new ATOM 0 HD21 LEU B 120 5.445 -2.936 -0.991 1.00 35.11 H new ATOM 0 HD22 LEU B 120 4.144 -2.081 -0.128 1.00 35.11 H new ATOM 0 HD23 LEU B 120 4.185 -3.860 -0.139 1.00 35.11 H new ATOM 1111 N HIS B 121 2.455 -4.697 -4.371 1.00 51.32 N ATOM 1112 CA HIS B 121 3.127 -4.821 -5.667 1.00 73.35 C ATOM 1113 C HIS B 121 2.089 -5.065 -6.769 1.00 14.11 C ATOM 1114 O HIS B 121 2.180 -4.478 -7.844 1.00 11.22 O ATOM 1115 CB HIS B 121 4.177 -5.959 -5.623 1.00 20.23 C ATOM 1116 CG HIS B 121 5.008 -6.072 -6.874 1.00 42.32 C ATOM 1117 ND1 HIS B 121 4.830 -7.063 -7.813 1.00 13.30 N ATOM 1118 CD2 HIS B 121 6.021 -5.304 -7.337 1.00 15.11 C ATOM 1119 CE1 HIS B 121 5.688 -6.897 -8.793 1.00 20.23 C ATOM 1120 NE2 HIS B 121 6.419 -5.837 -8.535 1.00 30.13 N ATOM 0 H HIS B 121 2.737 -5.405 -3.693 1.00 51.32 H new ATOM 0 HA HIS B 121 3.652 -3.892 -5.890 1.00 73.35 H new ATOM 0 HB2 HIS B 121 4.839 -5.796 -4.772 1.00 20.23 H new ATOM 0 HB3 HIS B 121 3.665 -6.906 -5.452 1.00 20.23 H new ATOM 0 HD2 HIS B 121 6.438 -4.433 -6.853 1.00 15.11 H new ATOM 0 HE1 HIS B 121 5.778 -7.527 -9.666 1.00 20.23 H new ATOM 0 HE2 HIS B 121 7.162 -5.470 -9.130 1.00 30.13 H new ATOM 1129 N ASP B 122 1.085 -5.901 -6.443 1.00 45.54 N ATOM 1130 CA ASP B 122 -0.054 -6.207 -7.333 1.00 72.23 C ATOM 1131 C ASP B 122 -0.888 -4.924 -7.583 1.00 52.44 C ATOM 1132 O ASP B 122 -1.166 -4.571 -8.728 1.00 34.25 O ATOM 1133 CB ASP B 122 -0.931 -7.322 -6.698 1.00 4.25 C ATOM 1134 CG ASP B 122 -1.923 -7.958 -7.693 1.00 10.22 C ATOM 1135 OD1 ASP B 122 -1.611 -9.036 -8.249 1.00 4.12 O ATOM 1136 OD2 ASP B 122 -3.008 -7.386 -7.931 1.00 41.44 O ATOM 0 H ASP B 122 1.040 -6.387 -5.548 1.00 45.54 H new ATOM 0 HA ASP B 122 0.320 -6.565 -8.292 1.00 72.23 H new ATOM 0 HB2 ASP B 122 -0.282 -8.100 -6.295 1.00 4.25 H new ATOM 0 HB3 ASP B 122 -1.487 -6.904 -5.859 1.00 4.25 H new ATOM 1141 N THR B 123 -1.216 -4.213 -6.478 1.00 0.24 N ATOM 1142 CA THR B 123 -2.022 -2.961 -6.490 1.00 55.03 C ATOM 1143 C THR B 123 -1.300 -1.831 -7.265 1.00 33.33 C ATOM 1144 O THR B 123 -1.937 -1.000 -7.930 1.00 70.31 O ATOM 1145 CB THR B 123 -2.312 -2.476 -5.023 1.00 12.01 C ATOM 1146 OG1 THR B 123 -2.948 -3.521 -4.273 1.00 61.14 O ATOM 1147 CG2 THR B 123 -3.215 -1.230 -4.972 1.00 34.44 C ATOM 0 H THR B 123 -0.927 -4.493 -5.541 1.00 0.24 H new ATOM 0 HA THR B 123 -2.962 -3.186 -6.994 1.00 55.03 H new ATOM 0 HB THR B 123 -1.345 -2.216 -4.591 1.00 12.01 H new ATOM 0 HG1 THR B 123 -2.294 -4.222 -4.070 1.00 61.14 H new ATOM 0 HG21 THR B 123 -3.380 -0.942 -3.934 1.00 34.44 H new ATOM 0 HG22 THR B 123 -2.733 -0.409 -5.504 1.00 34.44 H new ATOM 0 HG23 THR B 123 -4.172 -1.455 -5.443 1.00 34.44 H new ATOM 1155 N ASN B 124 0.041 -1.833 -7.181 1.00 61.03 N ATOM 1156 CA ASN B 124 0.897 -0.812 -7.807 1.00 72.12 C ATOM 1157 C ASN B 124 1.035 -1.100 -9.305 1.00 73.43 C ATOM 1158 O ASN B 124 1.175 -0.172 -10.087 1.00 44.32 O ATOM 1159 CB ASN B 124 2.299 -0.739 -7.129 1.00 63.24 C ATOM 1160 CG ASN B 124 2.333 -0.020 -5.762 1.00 61.35 C ATOM 1161 OD1 ASN B 124 1.324 -0.199 -4.919 1.00 75.11 O flip ATOM 1162 ND2 ASN B 124 3.299 0.670 -5.451 1.00 72.34 N flip ATOM 0 H ASN B 124 0.564 -2.547 -6.674 1.00 61.03 H new ATOM 0 HA ASN B 124 0.422 0.160 -7.670 1.00 72.12 H new ATOM 0 HB2 ASN B 124 2.674 -1.754 -6.997 1.00 63.24 H new ATOM 0 HB3 ASN B 124 2.986 -0.231 -7.806 1.00 63.24 H new ATOM 0 HD21 ASN B 124 4.067 0.798 -6.110 1.00 72.34 H new ATOM 0 HD22 ASN B 124 3.334 1.115 -4.534 1.00 72.34 H new ATOM 1169 N MET B 125 1.016 -2.396 -9.683 1.00 0.33 N ATOM 1170 CA MET B 125 0.953 -2.825 -11.090 1.00 62.12 C ATOM 1171 C MET B 125 -0.372 -2.417 -11.736 1.00 55.13 C ATOM 1172 O MET B 125 -0.391 -2.053 -12.913 1.00 43.24 O ATOM 1173 CB MET B 125 1.147 -4.355 -11.187 1.00 3.51 C ATOM 1174 CG MET B 125 2.572 -4.805 -10.881 1.00 3.34 C ATOM 1175 SD MET B 125 3.746 -4.376 -12.189 1.00 44.35 S ATOM 1176 CE MET B 125 3.151 -5.366 -13.564 1.00 4.01 C ATOM 0 H MET B 125 1.044 -3.171 -9.020 1.00 0.33 H new ATOM 0 HA MET B 125 1.757 -2.327 -11.632 1.00 62.12 H new ATOM 0 HB2 MET B 125 0.462 -4.845 -10.495 1.00 3.51 H new ATOM 0 HB3 MET B 125 0.877 -4.685 -12.190 1.00 3.51 H new ATOM 0 HG2 MET B 125 2.897 -4.351 -9.945 1.00 3.34 H new ATOM 0 HG3 MET B 125 2.582 -5.885 -10.731 1.00 3.34 H new ATOM 0 HE1 MET B 125 3.947 -5.484 -14.299 1.00 4.01 H new ATOM 0 HE2 MET B 125 2.844 -6.347 -13.200 1.00 4.01 H new ATOM 0 HE3 MET B 125 2.299 -4.869 -14.029 1.00 4.01 H new ATOM 1186 N GLU B 126 -1.479 -2.505 -10.961 1.00 1.04 N ATOM 1187 CA GLU B 126 -2.805 -2.040 -11.414 1.00 33.44 C ATOM 1188 C GLU B 126 -2.761 -0.518 -11.643 1.00 21.35 C ATOM 1189 O GLU B 126 -3.185 -0.044 -12.686 1.00 63.03 O ATOM 1190 CB GLU B 126 -3.929 -2.384 -10.396 1.00 43.43 C ATOM 1191 CG GLU B 126 -3.998 -3.858 -9.956 1.00 21.31 C ATOM 1192 CD GLU B 126 -5.207 -4.175 -9.060 1.00 51.34 C ATOM 1193 OE1 GLU B 126 -5.049 -4.243 -7.817 1.00 73.04 O ATOM 1194 OE2 GLU B 126 -6.329 -4.324 -9.588 1.00 63.12 O ATOM 0 H GLU B 126 -1.476 -2.895 -10.018 1.00 1.04 H new ATOM 0 HA GLU B 126 -3.038 -2.558 -12.344 1.00 33.44 H new ATOM 0 HB2 GLU B 126 -3.794 -1.765 -9.509 1.00 43.43 H new ATOM 0 HB3 GLU B 126 -4.888 -2.109 -10.834 1.00 43.43 H new ATOM 0 HG2 GLU B 126 -4.036 -4.492 -10.842 1.00 21.31 H new ATOM 0 HG3 GLU B 126 -3.083 -4.112 -9.421 1.00 21.31 H new ATOM 1201 N LEU B 127 -2.199 0.206 -10.655 1.00 1.22 N ATOM 1202 CA LEU B 127 -2.029 1.678 -10.690 1.00 52.13 C ATOM 1203 C LEU B 127 -1.179 2.127 -11.906 1.00 12.23 C ATOM 1204 O LEU B 127 -1.517 3.100 -12.596 1.00 71.12 O ATOM 1205 CB LEU B 127 -1.354 2.161 -9.371 1.00 32.34 C ATOM 1206 CG LEU B 127 -1.133 3.704 -9.237 1.00 60.44 C ATOM 1207 CD1 LEU B 127 -2.472 4.457 -9.087 1.00 44.23 C ATOM 1208 CD2 LEU B 127 -0.158 4.037 -8.088 1.00 31.34 C ATOM 0 H LEU B 127 -1.845 -0.218 -9.798 1.00 1.22 H new ATOM 0 HA LEU B 127 -3.018 2.127 -10.788 1.00 52.13 H new ATOM 0 HB2 LEU B 127 -1.964 1.827 -8.531 1.00 32.34 H new ATOM 0 HB3 LEU B 127 -0.387 1.666 -9.279 1.00 32.34 H new ATOM 0 HG LEU B 127 -0.672 4.050 -10.162 1.00 60.44 H new ATOM 0 HD11 LEU B 127 -2.280 5.526 -8.996 1.00 44.23 H new ATOM 0 HD12 LEU B 127 -3.093 4.273 -9.964 1.00 44.23 H new ATOM 0 HD13 LEU B 127 -2.990 4.104 -8.195 1.00 44.23 H new ATOM 0 HD21 LEU B 127 -0.027 5.117 -8.023 1.00 31.34 H new ATOM 0 HD22 LEU B 127 -0.563 3.663 -7.147 1.00 31.34 H new ATOM 0 HD23 LEU B 127 0.806 3.566 -8.281 1.00 31.34 H new ATOM 1220 N THR B 128 -0.078 1.390 -12.152 1.00 34.40 N ATOM 1221 CA THR B 128 0.840 1.637 -13.290 1.00 44.35 C ATOM 1222 C THR B 128 0.111 1.395 -14.628 1.00 32.45 C ATOM 1223 O THR B 128 0.295 2.134 -15.601 1.00 20.22 O ATOM 1224 CB THR B 128 2.106 0.710 -13.207 1.00 64.13 C ATOM 1225 OG1 THR B 128 2.813 0.944 -11.977 1.00 51.42 O ATOM 1226 CG2 THR B 128 3.079 0.915 -14.396 1.00 43.51 C ATOM 0 H THR B 128 0.204 0.603 -11.567 1.00 34.40 H new ATOM 0 HA THR B 128 1.165 2.676 -13.237 1.00 44.35 H new ATOM 0 HB THR B 128 1.742 -0.317 -13.248 1.00 64.13 H new ATOM 0 HG1 THR B 128 2.384 0.442 -11.253 1.00 51.42 H new ATOM 0 HG21 THR B 128 3.934 0.249 -14.285 1.00 43.51 H new ATOM 0 HG22 THR B 128 2.564 0.692 -15.330 1.00 43.51 H new ATOM 0 HG23 THR B 128 3.424 1.949 -14.410 1.00 43.51 H new ATOM 1234 N ASP B 129 -0.731 0.350 -14.630 1.00 52.11 N ATOM 1235 CA ASP B 129 -1.559 -0.033 -15.784 1.00 50.21 C ATOM 1236 C ASP B 129 -2.636 1.032 -16.047 1.00 14.21 C ATOM 1237 O ASP B 129 -2.943 1.338 -17.190 1.00 20.02 O ATOM 1238 CB ASP B 129 -2.205 -1.416 -15.524 1.00 42.02 C ATOM 1239 CG ASP B 129 -3.048 -1.934 -16.698 1.00 11.12 C ATOM 1240 OD1 ASP B 129 -2.453 -2.305 -17.730 1.00 21.32 O ATOM 1241 OD2 ASP B 129 -4.293 -1.940 -16.605 1.00 4.54 O ATOM 0 H ASP B 129 -0.857 -0.259 -13.822 1.00 52.11 H new ATOM 0 HA ASP B 129 -0.929 -0.101 -16.671 1.00 50.21 H new ATOM 0 HB2 ASP B 129 -1.419 -2.139 -15.306 1.00 42.02 H new ATOM 0 HB3 ASP B 129 -2.835 -1.352 -14.637 1.00 42.02 H new ATOM 1246 N LEU B 130 -3.173 1.608 -14.961 1.00 64.30 N ATOM 1247 CA LEU B 130 -4.246 2.614 -15.020 1.00 3.44 C ATOM 1248 C LEU B 130 -3.735 3.924 -15.624 1.00 1.05 C ATOM 1249 O LEU B 130 -4.380 4.462 -16.524 1.00 52.32 O ATOM 1250 CB LEU B 130 -4.854 2.867 -13.618 1.00 73.24 C ATOM 1251 CG LEU B 130 -5.714 1.712 -13.038 1.00 73.12 C ATOM 1252 CD1 LEU B 130 -6.162 2.009 -11.601 1.00 22.31 C ATOM 1253 CD2 LEU B 130 -6.913 1.390 -13.952 1.00 23.12 C ATOM 0 H LEU B 130 -2.874 1.388 -14.011 1.00 64.30 H new ATOM 0 HA LEU B 130 -5.031 2.220 -15.665 1.00 3.44 H new ATOM 0 HB2 LEU B 130 -4.041 3.075 -12.922 1.00 73.24 H new ATOM 0 HB3 LEU B 130 -5.470 3.765 -13.666 1.00 73.24 H new ATOM 0 HG LEU B 130 -5.085 0.823 -13.002 1.00 73.12 H new ATOM 0 HD11 LEU B 130 -6.762 1.179 -11.228 1.00 22.31 H new ATOM 0 HD12 LEU B 130 -5.286 2.138 -10.966 1.00 22.31 H new ATOM 0 HD13 LEU B 130 -6.758 2.922 -11.587 1.00 22.31 H new ATOM 0 HD21 LEU B 130 -7.494 0.577 -13.517 1.00 23.12 H new ATOM 0 HD22 LEU B 130 -7.543 2.274 -14.051 1.00 23.12 H new ATOM 0 HD23 LEU B 130 -6.551 1.091 -14.936 1.00 23.12 H new ATOM 1265 N LYS B 131 -2.558 4.413 -15.140 1.00 71.33 N ATOM 1266 CA LYS B 131 -1.941 5.657 -15.660 1.00 55.35 C ATOM 1267 C LYS B 131 -1.628 5.457 -17.155 1.00 34.41 C ATOM 1268 O LYS B 131 -1.872 6.342 -17.965 1.00 42.32 O ATOM 1269 CB LYS B 131 -0.689 6.108 -14.810 1.00 62.05 C ATOM 1270 CG LYS B 131 0.633 5.297 -14.978 1.00 31.44 C ATOM 1271 CD LYS B 131 1.499 5.762 -16.183 1.00 23.03 C ATOM 1272 CE LYS B 131 2.669 4.820 -16.493 1.00 55.33 C ATOM 1273 NZ LYS B 131 3.373 5.217 -17.740 1.00 11.10 N ATOM 0 H LYS B 131 -2.025 3.964 -14.395 1.00 71.33 H new ATOM 0 HA LYS B 131 -2.644 6.485 -15.561 1.00 55.35 H new ATOM 0 HB2 LYS B 131 -0.477 7.149 -15.053 1.00 62.05 H new ATOM 0 HB3 LYS B 131 -0.970 6.077 -13.757 1.00 62.05 H new ATOM 0 HG2 LYS B 131 1.221 5.383 -14.064 1.00 31.44 H new ATOM 0 HG3 LYS B 131 0.389 4.242 -15.102 1.00 31.44 H new ATOM 0 HD2 LYS B 131 0.865 5.844 -17.066 1.00 23.03 H new ATOM 0 HD3 LYS B 131 1.890 6.759 -15.977 1.00 23.03 H new ATOM 0 HE2 LYS B 131 3.372 4.825 -15.660 1.00 55.33 H new ATOM 0 HE3 LYS B 131 2.299 3.799 -16.592 1.00 55.33 H new ATOM 0 HZ1 LYS B 131 4.158 4.559 -17.920 1.00 11.10 H new ATOM 0 HZ2 LYS B 131 2.707 5.188 -18.539 1.00 11.10 H new ATOM 0 HZ3 LYS B 131 3.747 6.182 -17.635 1.00 11.10 H new ATOM 1287 N LEU B 132 -1.139 4.242 -17.482 1.00 55.20 N ATOM 1288 CA LEU B 132 -0.824 3.790 -18.851 1.00 11.33 C ATOM 1289 C LEU B 132 -2.076 3.826 -19.753 1.00 12.24 C ATOM 1290 O LEU B 132 -2.002 4.224 -20.931 1.00 73.12 O ATOM 1291 CB LEU B 132 -0.149 2.377 -18.742 1.00 70.20 C ATOM 1292 CG LEU B 132 -0.075 1.442 -20.015 1.00 63.43 C ATOM 1293 CD1 LEU B 132 1.210 0.566 -20.005 1.00 41.21 C ATOM 1294 CD2 LEU B 132 -1.327 0.524 -20.112 1.00 23.13 C ATOM 0 H LEU B 132 -0.947 3.528 -16.779 1.00 55.20 H new ATOM 0 HA LEU B 132 -0.121 4.465 -19.339 1.00 11.33 H new ATOM 0 HB2 LEU B 132 0.872 2.530 -18.391 1.00 70.20 H new ATOM 0 HB3 LEU B 132 -0.674 1.825 -17.963 1.00 70.20 H new ATOM 0 HG LEU B 132 -0.045 2.096 -20.887 1.00 63.43 H new ATOM 0 HD11 LEU B 132 1.228 -0.064 -20.894 1.00 41.21 H new ATOM 0 HD12 LEU B 132 2.089 1.210 -19.999 1.00 41.21 H new ATOM 0 HD13 LEU B 132 1.215 -0.063 -19.115 1.00 41.21 H new ATOM 0 HD21 LEU B 132 -1.248 -0.107 -20.997 1.00 23.13 H new ATOM 0 HD22 LEU B 132 -1.388 -0.104 -19.223 1.00 23.13 H new ATOM 0 HD23 LEU B 132 -2.224 1.139 -20.184 1.00 23.13 H new ATOM 1306 N GLN B 133 -3.225 3.442 -19.176 1.00 62.41 N ATOM 1307 CA GLN B 133 -4.524 3.481 -19.866 1.00 13.04 C ATOM 1308 C GLN B 133 -5.031 4.934 -20.021 1.00 73.10 C ATOM 1309 O GLN B 133 -5.804 5.199 -20.933 1.00 72.42 O ATOM 1310 CB GLN B 133 -5.573 2.614 -19.121 1.00 32.43 C ATOM 1311 CG GLN B 133 -5.307 1.096 -19.130 1.00 24.44 C ATOM 1312 CD GLN B 133 -6.342 0.309 -18.312 1.00 52.03 C ATOM 1313 OE1 GLN B 133 -6.152 0.254 -17.007 1.00 41.33 O flip ATOM 1314 NE2 GLN B 133 -7.331 -0.191 -18.844 1.00 54.52 N flip ATOM 0 H GLN B 133 -3.280 3.096 -18.218 1.00 62.41 H new ATOM 0 HA GLN B 133 -4.382 3.065 -20.863 1.00 13.04 H new ATOM 0 HB2 GLN B 133 -5.626 2.950 -18.085 1.00 32.43 H new ATOM 0 HB3 GLN B 133 -6.551 2.796 -19.566 1.00 32.43 H new ATOM 0 HG2 GLN B 133 -5.313 0.736 -20.159 1.00 24.44 H new ATOM 0 HG3 GLN B 133 -4.311 0.903 -18.731 1.00 24.44 H new ATOM 0 HE21 GLN B 133 -7.451 -0.132 -19.855 1.00 54.52 H new ATOM 0 HE22 GLN B 133 -8.032 -0.664 -18.274 1.00 54.52 H new ATOM 1323 N LEU B 134 -4.614 5.865 -19.120 1.00 72.32 N ATOM 1324 CA LEU B 134 -4.969 7.318 -19.235 1.00 30.33 C ATOM 1325 C LEU B 134 -4.266 7.923 -20.462 1.00 40.44 C ATOM 1326 O LEU B 134 -4.811 8.809 -21.143 1.00 71.21 O ATOM 1327 CB LEU B 134 -4.569 8.151 -17.969 1.00 63.32 C ATOM 1328 CG LEU B 134 -4.952 7.578 -16.573 1.00 33.42 C ATOM 1329 CD1 LEU B 134 -4.719 8.618 -15.458 1.00 42.41 C ATOM 1330 CD2 LEU B 134 -6.376 6.991 -16.538 1.00 52.13 C ATOM 0 H LEU B 134 -4.036 5.643 -18.310 1.00 72.32 H new ATOM 0 HA LEU B 134 -6.053 7.368 -19.334 1.00 30.33 H new ATOM 0 HB2 LEU B 134 -3.488 8.292 -17.988 1.00 63.32 H new ATOM 0 HB3 LEU B 134 -5.021 9.139 -18.061 1.00 63.32 H new ATOM 0 HG LEU B 134 -4.283 6.739 -16.381 1.00 33.42 H new ATOM 0 HD11 LEU B 134 -4.996 8.188 -14.496 1.00 42.41 H new ATOM 0 HD12 LEU B 134 -3.667 8.902 -15.439 1.00 42.41 H new ATOM 0 HD13 LEU B 134 -5.330 9.500 -15.650 1.00 42.41 H new ATOM 0 HD21 LEU B 134 -6.587 6.607 -15.540 1.00 52.13 H new ATOM 0 HD22 LEU B 134 -7.097 7.770 -16.787 1.00 52.13 H new ATOM 0 HD23 LEU B 134 -6.453 6.180 -17.263 1.00 52.13 H new