USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 932 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 10 ASN : amide:sc= 0.715 X(o=1.3,f=1.5) USER MOD Set 1.2: A 11 THR OG1 : rot 180:sc= -0.0876 USER MOD Set 1.3: A 122 SER OG : rot 69:sc= 0.673 USER MOD Set 2.1: A 17 MET CE :methyl 163:sc= -0.0189 (180deg=-0.763) USER MOD Set 2.2: A 101 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 113 HIS : no HE2:sc= -0.278 K(o=-0.3,f=-3.4) USER MOD Set 3.1: A 102 THR OG1 : rot 153:sc= 0.153 USER MOD Set 3.2: A 109 LYS NZ :NH3+ -129:sc= 0.371 (180deg=-0.0191) USER MOD Set 4.1: A 103 SER OG : rot 160:sc= 0.208 USER MOD Set 4.2: A 105 THR OG1 : rot 180:sc= -0.0101 USER MOD Set 5.1: A 37 TYR OH : rot 58:sc= -0.111 USER MOD Set 5.2: A 49 HIS : no HD1:sc= -0.243 K(o=-2.6,f=-3.9) USER MOD Set 5.3: A 77 HIS : no HD1:sc= 0.203 K(o=-2.6,f=-4.2) USER MOD Set 5.4: A 78 MET CE :methyl -142:sc= -2.1 (180deg=-3.74!) USER MOD Set 5.5: A 81 MET CE :methyl 171:sc= -0.355 (180deg=0) USER MOD Set 6.1: A 33 TYR OH : rot 178:sc= 1.12 USER MOD Set 6.2: A 54 GLN :FLIP amide:sc= -1.36! F(o=-1.6,f=-0.24!) USER MOD Set 7.1: A 31 THR OG1 : rot 130:sc= 0.936 USER MOD Set 7.2: A 64 THR OG1 : rot 170:sc= 0.649 USER MOD Set 7.3: A 93 LYS NZ :NH3+ 156:sc= 1.82 (180deg=0) USER MOD Set 8.1: A 25 THR OG1 : rot -14:sc= 0.799 USER MOD Set 8.2: A 28 TYR OH : rot 180:sc= -0.218 USER MOD Set 8.3: A 98 MET CE :methyl 146:sc= -0.0978 (180deg=-0.62) USER MOD Set 8.4: A 114 LYS NZ :NH3+ -133:sc= 1.19 (180deg=-0.649) USER MOD Set 9.1: A 1 MET N :NH3+ -116:sc= 0.218 (180deg=-0.134) USER MOD Set 9.2: A 97 TYR OH : rot -133:sc= 0.493 USER MOD Single : A 1 MET CE :methyl -141:sc= -0.0884 (180deg=-1.42) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= -0.014 (180deg=-0.175) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 12 SER OG : rot 130:sc= -1.66! USER MOD Single : A 13 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-4.9!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -121:sc= 0.445 (180deg=0.135) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 36 SER OG : rot -113:sc= -0.348 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 HIS : no HE2:sc= 0.0211 X(o=0.021,f=-0.17) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -143:sc= 0.387 (180deg=0.0107) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= -0.432 (180deg=-2.31!) USER MOD Single : A 66 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.012) USER MOD Single : A 70 GLN : amide:sc= -0.0698 X(o=-0.07,f=0) USER MOD Single : A 76 SER OG : rot -64:sc= -0.692 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -128:sc= 0.897 (180deg=0.205) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -157:sc= 0.0557 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 155:sc=-0.00642 (180deg=-0.0994) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.673 15.961 -1.972 1.00 31.54 N ATOM 2 CA MET A 1 -3.682 15.830 -3.453 1.00 44.40 C ATOM 3 C MET A 1 -5.125 15.760 -3.991 1.00 23.33 C ATOM 4 O MET A 1 -6.000 15.181 -3.343 1.00 23.32 O ATOM 5 CB MET A 1 -2.887 14.571 -3.897 1.00 23.55 C ATOM 6 CG MET A 1 -1.421 14.573 -3.463 1.00 3.24 C ATOM 7 SD MET A 1 -0.571 16.063 -4.028 1.00 22.15 S ATOM 8 CE MET A 1 1.037 15.878 -3.274 1.00 34.34 C ATOM 0 H1 MET A 1 -3.255 16.876 -1.707 1.00 31.54 H new ATOM 0 H2 MET A 1 -4.648 15.909 -1.613 1.00 31.54 H new ATOM 0 H3 MET A 1 -3.110 15.190 -1.559 1.00 31.54 H new ATOM 0 HA MET A 1 -3.200 16.715 -3.869 1.00 44.40 H new ATOM 0 HB2 MET A 1 -3.374 13.685 -3.490 1.00 23.55 H new ATOM 0 HB3 MET A 1 -2.933 14.490 -4.983 1.00 23.55 H new ATOM 0 HG2 MET A 1 -1.361 14.508 -2.377 1.00 3.24 H new ATOM 0 HG3 MET A 1 -0.920 13.692 -3.864 1.00 3.24 H new ATOM 0 HE1 MET A 1 1.388 16.848 -2.923 1.00 34.34 H new ATOM 0 HE2 MET A 1 0.966 15.191 -2.430 1.00 34.34 H new ATOM 0 HE3 MET A 1 1.739 15.481 -4.007 1.00 34.34 H new ATOM 20 N LYS A 2 -5.365 16.345 -5.181 1.00 13.42 N ATOM 21 CA LYS A 2 -6.695 16.324 -5.850 1.00 43.14 C ATOM 22 C LYS A 2 -6.657 15.431 -7.113 1.00 53.34 C ATOM 23 O LYS A 2 -5.613 15.298 -7.765 1.00 5.11 O ATOM 24 CB LYS A 2 -7.189 17.766 -6.218 1.00 65.42 C ATOM 25 CG LYS A 2 -6.365 18.529 -7.296 1.00 25.21 C ATOM 26 CD LYS A 2 -5.046 19.142 -6.767 1.00 24.11 C ATOM 27 CE LYS A 2 -5.274 20.288 -5.767 1.00 23.22 C ATOM 28 NZ LYS A 2 -6.030 21.417 -6.378 1.00 53.32 N ATOM 0 H LYS A 2 -4.650 16.845 -5.709 1.00 13.42 H new ATOM 0 HA LYS A 2 -7.407 15.903 -5.140 1.00 43.14 H new ATOM 0 HB2 LYS A 2 -8.220 17.695 -6.564 1.00 65.42 H new ATOM 0 HB3 LYS A 2 -7.198 18.366 -5.308 1.00 65.42 H new ATOM 0 HG2 LYS A 2 -6.133 17.845 -8.112 1.00 25.21 H new ATOM 0 HG3 LYS A 2 -6.982 19.325 -7.713 1.00 25.21 H new ATOM 0 HD2 LYS A 2 -4.456 18.361 -6.288 1.00 24.11 H new ATOM 0 HD3 LYS A 2 -4.461 19.513 -7.609 1.00 24.11 H new ATOM 0 HE2 LYS A 2 -5.820 19.912 -4.902 1.00 23.22 H new ATOM 0 HE3 LYS A 2 -4.312 20.650 -5.404 1.00 23.22 H new ATOM 0 HZ1 LYS A 2 -5.988 22.244 -5.749 1.00 53.32 H new ATOM 0 HZ2 LYS A 2 -5.608 21.660 -7.297 1.00 53.32 H new ATOM 0 HZ3 LYS A 2 -7.022 21.136 -6.515 1.00 53.32 H new ATOM 42 N VAL A 3 -7.805 14.809 -7.436 1.00 61.22 N ATOM 43 CA VAL A 3 -7.956 13.951 -8.631 1.00 32.00 C ATOM 44 C VAL A 3 -7.857 14.783 -9.945 1.00 73.43 C ATOM 45 O VAL A 3 -8.511 15.820 -10.097 1.00 3.32 O ATOM 46 CB VAL A 3 -9.306 13.135 -8.572 1.00 20.14 C ATOM 47 CG1 VAL A 3 -9.483 12.218 -9.808 1.00 42.44 C ATOM 48 CG2 VAL A 3 -9.388 12.307 -7.261 1.00 71.51 C ATOM 0 H VAL A 3 -8.655 14.885 -6.878 1.00 61.22 H new ATOM 0 HA VAL A 3 -7.132 13.237 -8.634 1.00 32.00 H new ATOM 0 HB VAL A 3 -10.123 13.857 -8.583 1.00 20.14 H new ATOM 0 HG11 VAL A 3 -10.425 11.675 -9.726 1.00 42.44 H new ATOM 0 HG12 VAL A 3 -9.491 12.825 -10.713 1.00 42.44 H new ATOM 0 HG13 VAL A 3 -8.658 11.508 -9.855 1.00 42.44 H new ATOM 0 HG21 VAL A 3 -10.326 11.752 -7.239 1.00 71.51 H new ATOM 0 HG22 VAL A 3 -8.552 11.609 -7.219 1.00 71.51 H new ATOM 0 HG23 VAL A 3 -9.344 12.978 -6.403 1.00 71.51 H new ATOM 58 N GLY A 4 -7.009 14.305 -10.866 1.00 31.11 N ATOM 59 CA GLY A 4 -6.708 14.987 -12.135 1.00 12.15 C ATOM 60 C GLY A 4 -5.363 15.728 -12.116 1.00 72.52 C ATOM 61 O GLY A 4 -4.902 16.211 -13.157 1.00 10.14 O ATOM 0 H GLY A 4 -6.507 13.425 -10.751 1.00 31.11 H new ATOM 0 HA2 GLY A 4 -6.701 14.254 -12.942 1.00 12.15 H new ATOM 0 HA3 GLY A 4 -7.504 15.697 -12.357 1.00 12.15 H new ATOM 65 N SER A 5 -4.736 15.817 -10.926 1.00 61.10 N ATOM 66 CA SER A 5 -3.447 16.529 -10.741 1.00 74.11 C ATOM 67 C SER A 5 -2.225 15.637 -11.060 1.00 35.14 C ATOM 68 O SER A 5 -2.266 14.417 -10.891 1.00 11.12 O ATOM 69 CB SER A 5 -3.321 17.047 -9.299 1.00 4.30 C ATOM 70 OG SER A 5 -2.122 17.789 -9.115 1.00 64.40 O ATOM 0 H SER A 5 -5.102 15.402 -10.069 1.00 61.10 H new ATOM 0 HA SER A 5 -3.451 17.362 -11.444 1.00 74.11 H new ATOM 0 HB2 SER A 5 -4.179 17.675 -9.061 1.00 4.30 H new ATOM 0 HB3 SER A 5 -3.340 16.206 -8.606 1.00 4.30 H new ATOM 0 HG SER A 5 -2.072 18.106 -8.189 1.00 64.40 H new ATOM 76 N GLN A 6 -1.133 16.293 -11.496 1.00 64.32 N ATOM 77 CA GLN A 6 0.158 15.643 -11.802 1.00 74.11 C ATOM 78 C GLN A 6 1.154 15.843 -10.625 1.00 62.33 C ATOM 79 O GLN A 6 1.519 16.977 -10.286 1.00 2.13 O ATOM 80 CB GLN A 6 0.724 16.230 -13.123 1.00 50.42 C ATOM 81 CG GLN A 6 -0.202 16.040 -14.351 1.00 44.22 C ATOM 82 CD GLN A 6 0.383 16.585 -15.658 1.00 31.25 C ATOM 83 OE1 GLN A 6 1.595 16.628 -15.847 1.00 2.41 O ATOM 84 NE2 GLN A 6 -0.474 16.963 -16.589 1.00 60.54 N ATOM 0 H GLN A 6 -1.121 17.302 -11.648 1.00 64.32 H new ATOM 0 HA GLN A 6 0.009 14.571 -11.930 1.00 74.11 H new ATOM 0 HB2 GLN A 6 0.910 17.295 -12.984 1.00 50.42 H new ATOM 0 HB3 GLN A 6 1.686 15.763 -13.332 1.00 50.42 H new ATOM 0 HG2 GLN A 6 -0.413 14.978 -14.474 1.00 44.22 H new ATOM 0 HG3 GLN A 6 -1.154 16.534 -14.156 1.00 44.22 H new ATOM 0 HE21 GLN A 6 -1.477 16.918 -16.408 1.00 60.54 H new ATOM 0 HE22 GLN A 6 -0.133 17.300 -17.489 1.00 60.54 H new ATOM 93 N VAL A 7 1.572 14.724 -10.003 1.00 34.42 N ATOM 94 CA VAL A 7 2.466 14.719 -8.817 1.00 42.34 C ATOM 95 C VAL A 7 3.729 13.857 -9.068 1.00 41.32 C ATOM 96 O VAL A 7 3.727 12.964 -9.901 1.00 11.24 O ATOM 97 CB VAL A 7 1.714 14.194 -7.531 1.00 31.43 C ATOM 98 CG1 VAL A 7 0.515 15.111 -7.173 1.00 50.43 C ATOM 99 CG2 VAL A 7 1.253 12.716 -7.687 1.00 55.14 C ATOM 0 H VAL A 7 1.300 13.789 -10.307 1.00 34.42 H new ATOM 0 HA VAL A 7 2.773 15.751 -8.646 1.00 42.34 H new ATOM 0 HB VAL A 7 2.428 14.226 -6.708 1.00 31.43 H new ATOM 0 HG11 VAL A 7 0.015 14.726 -6.284 1.00 50.43 H new ATOM 0 HG12 VAL A 7 0.875 16.121 -6.978 1.00 50.43 H new ATOM 0 HG13 VAL A 7 -0.189 15.131 -8.005 1.00 50.43 H new ATOM 0 HG21 VAL A 7 0.741 12.397 -6.779 1.00 55.14 H new ATOM 0 HG22 VAL A 7 0.573 12.634 -8.535 1.00 55.14 H new ATOM 0 HG23 VAL A 7 2.122 12.080 -7.856 1.00 55.14 H new ATOM 109 N ILE A 8 4.807 14.168 -8.348 1.00 42.13 N ATOM 110 CA ILE A 8 6.060 13.372 -8.334 1.00 12.14 C ATOM 111 C ILE A 8 6.123 12.476 -7.062 1.00 42.15 C ATOM 112 O ILE A 8 5.877 12.956 -5.955 1.00 74.43 O ATOM 113 CB ILE A 8 7.309 14.337 -8.387 1.00 71.43 C ATOM 114 CG1 ILE A 8 7.284 15.217 -9.682 1.00 13.03 C ATOM 115 CG2 ILE A 8 8.650 13.569 -8.258 1.00 63.31 C ATOM 116 CD1 ILE A 8 7.340 14.441 -10.995 1.00 15.23 C ATOM 0 H ILE A 8 4.847 14.990 -7.745 1.00 42.13 H new ATOM 0 HA ILE A 8 6.074 12.724 -9.211 1.00 12.14 H new ATOM 0 HB ILE A 8 7.239 14.999 -7.524 1.00 71.43 H new ATOM 0 HG12 ILE A 8 6.377 15.822 -9.674 1.00 13.03 H new ATOM 0 HG13 ILE A 8 8.127 15.907 -9.650 1.00 13.03 H new ATOM 0 HG21 ILE A 8 9.479 14.275 -8.300 1.00 63.31 H new ATOM 0 HG22 ILE A 8 8.674 13.037 -7.307 1.00 63.31 H new ATOM 0 HG23 ILE A 8 8.740 12.854 -9.076 1.00 63.31 H new ATOM 0 HD11 ILE A 8 7.317 15.139 -11.832 1.00 15.23 H new ATOM 0 HD12 ILE A 8 8.260 13.858 -11.034 1.00 15.23 H new ATOM 0 HD13 ILE A 8 6.483 13.771 -11.059 1.00 15.23 H new ATOM 128 N ILE A 9 6.477 11.184 -7.222 1.00 42.20 N ATOM 129 CA ILE A 9 6.552 10.232 -6.076 1.00 51.45 C ATOM 130 C ILE A 9 7.934 10.343 -5.371 1.00 64.23 C ATOM 131 O ILE A 9 8.978 10.194 -6.017 1.00 74.40 O ATOM 132 CB ILE A 9 6.312 8.743 -6.529 1.00 44.32 C ATOM 133 CG1 ILE A 9 5.033 8.624 -7.420 1.00 32.22 C ATOM 134 CG2 ILE A 9 6.228 7.791 -5.299 1.00 11.12 C ATOM 135 CD1 ILE A 9 4.765 7.227 -7.968 1.00 65.13 C ATOM 0 H ILE A 9 6.715 10.771 -8.124 1.00 42.20 H new ATOM 0 HA ILE A 9 5.759 10.505 -5.379 1.00 51.45 H new ATOM 0 HB ILE A 9 7.167 8.436 -7.132 1.00 44.32 H new ATOM 0 HG12 ILE A 9 4.169 8.942 -6.836 1.00 32.22 H new ATOM 0 HG13 ILE A 9 5.124 9.316 -8.257 1.00 32.22 H new ATOM 0 HG21 ILE A 9 6.062 6.769 -5.640 1.00 11.12 H new ATOM 0 HG22 ILE A 9 7.161 7.839 -4.738 1.00 11.12 H new ATOM 0 HG23 ILE A 9 5.402 8.098 -4.657 1.00 11.12 H new ATOM 0 HD11 ILE A 9 3.859 7.241 -8.573 1.00 65.13 H new ATOM 0 HD12 ILE A 9 5.607 6.910 -8.583 1.00 65.13 H new ATOM 0 HD13 ILE A 9 4.637 6.530 -7.140 1.00 65.13 H new ATOM 147 N ASN A 10 7.934 10.615 -4.046 1.00 0.30 N ATOM 148 CA ASN A 10 9.180 10.815 -3.252 1.00 3.30 C ATOM 149 C ASN A 10 9.571 9.555 -2.435 1.00 24.32 C ATOM 150 O ASN A 10 10.736 9.145 -2.437 1.00 53.14 O ATOM 151 CB ASN A 10 9.029 12.058 -2.329 1.00 35.41 C ATOM 152 CG ASN A 10 7.836 11.976 -1.369 1.00 62.51 C ATOM 153 OD1 ASN A 10 6.725 12.360 -1.704 1.00 45.25 O ATOM 154 ND2 ASN A 10 8.056 11.472 -0.170 1.00 15.32 N ATOM 0 H ASN A 10 7.080 10.703 -3.495 1.00 0.30 H new ATOM 0 HA ASN A 10 9.995 10.991 -3.955 1.00 3.30 H new ATOM 0 HB2 ASN A 10 9.943 12.180 -1.748 1.00 35.41 H new ATOM 0 HB3 ASN A 10 8.924 12.948 -2.949 1.00 35.41 H new ATOM 0 HD21 ASN A 10 7.290 11.396 0.500 1.00 15.32 H new ATOM 0 HD22 ASN A 10 8.992 11.158 0.087 1.00 15.32 H new ATOM 161 N THR A 11 8.591 8.952 -1.739 1.00 21.34 N ATOM 162 CA THR A 11 8.810 7.774 -0.853 1.00 61.43 C ATOM 163 C THR A 11 8.187 6.529 -1.501 1.00 62.54 C ATOM 164 O THR A 11 7.100 6.613 -2.080 1.00 40.02 O ATOM 165 CB THR A 11 8.187 8.001 0.574 1.00 11.32 C ATOM 166 OG1 THR A 11 8.840 9.108 1.217 1.00 41.44 O ATOM 167 CG2 THR A 11 8.298 6.754 1.479 1.00 2.22 C ATOM 0 H THR A 11 7.620 9.262 -1.769 1.00 21.34 H new ATOM 0 HA THR A 11 9.884 7.634 -0.729 1.00 61.43 H new ATOM 0 HB THR A 11 7.127 8.209 0.429 1.00 11.32 H new ATOM 0 HG1 THR A 11 8.449 9.248 2.105 1.00 41.44 H new ATOM 0 HG21 THR A 11 7.852 6.968 2.450 1.00 2.22 H new ATOM 0 HG22 THR A 11 7.772 5.920 1.015 1.00 2.22 H new ATOM 0 HG23 THR A 11 9.348 6.493 1.611 1.00 2.22 H new ATOM 175 N SER A 12 8.871 5.369 -1.390 1.00 22.31 N ATOM 176 CA SER A 12 8.503 4.152 -2.152 1.00 11.50 C ATOM 177 C SER A 12 9.086 2.864 -1.532 1.00 2.11 C ATOM 178 O SER A 12 10.005 2.910 -0.710 1.00 4.23 O ATOM 179 CB SER A 12 9.034 4.267 -3.606 1.00 21.44 C ATOM 180 OG SER A 12 8.682 5.499 -4.212 1.00 41.25 O ATOM 0 H SER A 12 9.680 5.248 -0.781 1.00 22.31 H new ATOM 0 HA SER A 12 7.415 4.084 -2.128 1.00 11.50 H new ATOM 0 HB2 SER A 12 10.119 4.163 -3.603 1.00 21.44 H new ATOM 0 HB3 SER A 12 8.636 3.445 -4.202 1.00 21.44 H new ATOM 0 HG SER A 12 9.480 5.909 -4.606 1.00 41.25 H new ATOM 186 N HIS A 13 8.523 1.716 -1.950 1.00 33.13 N ATOM 187 CA HIS A 13 9.136 0.383 -1.750 1.00 72.23 C ATOM 188 C HIS A 13 9.921 -0.009 -3.026 1.00 43.10 C ATOM 189 O HIS A 13 11.014 -0.572 -2.955 1.00 62.15 O ATOM 190 CB HIS A 13 8.050 -0.687 -1.446 1.00 31.35 C ATOM 191 CG HIS A 13 7.255 -0.451 -0.182 1.00 60.30 C ATOM 192 ND1 HIS A 13 7.051 -1.458 0.731 1.00 52.33 N ATOM 193 CD2 HIS A 13 6.590 0.660 0.236 1.00 1.42 C ATOM 194 CE1 HIS A 13 6.271 -0.950 1.659 1.00 25.02 C ATOM 195 NE2 HIS A 13 5.960 0.330 1.403 1.00 75.02 N ATOM 0 H HIS A 13 7.628 1.683 -2.438 1.00 33.13 H new ATOM 0 HA HIS A 13 9.813 0.429 -0.897 1.00 72.23 H new ATOM 0 HB2 HIS A 13 7.360 -0.731 -2.288 1.00 31.35 H new ATOM 0 HB3 HIS A 13 8.532 -1.662 -1.377 1.00 31.35 H new ATOM 0 HD1 HIS A 13 7.428 -2.405 0.696 1.00 52.33 H new ATOM 0 HD2 HIS A 13 6.565 1.619 -0.260 1.00 1.42 H new ATOM 0 HE1 HIS A 13 5.923 -1.497 2.523 1.00 25.02 H new ATOM 203 N MET A 14 9.323 0.306 -4.195 1.00 33.44 N ATOM 204 CA MET A 14 9.921 0.052 -5.526 1.00 35.34 C ATOM 205 C MET A 14 10.886 1.191 -5.927 1.00 45.42 C ATOM 206 O MET A 14 10.607 2.366 -5.681 1.00 41.40 O ATOM 207 CB MET A 14 8.803 -0.092 -6.597 1.00 22.50 C ATOM 208 CG MET A 14 7.805 -1.233 -6.345 1.00 4.11 C ATOM 209 SD MET A 14 6.809 -0.986 -4.853 1.00 11.24 S ATOM 210 CE MET A 14 5.692 -2.390 -4.918 1.00 31.21 C ATOM 0 H MET A 14 8.405 0.747 -4.243 1.00 33.44 H new ATOM 0 HA MET A 14 10.489 -0.877 -5.470 1.00 35.34 H new ATOM 0 HB2 MET A 14 8.252 0.847 -6.653 1.00 22.50 H new ATOM 0 HB3 MET A 14 9.270 -0.246 -7.570 1.00 22.50 H new ATOM 0 HG2 MET A 14 7.143 -1.326 -7.206 1.00 4.11 H new ATOM 0 HG3 MET A 14 8.350 -2.173 -6.260 1.00 4.11 H new ATOM 0 HE1 MET A 14 5.023 -2.362 -4.058 1.00 31.21 H new ATOM 0 HE2 MET A 14 5.106 -2.346 -5.836 1.00 31.21 H new ATOM 0 HE3 MET A 14 6.269 -3.315 -4.899 1.00 31.21 H new ATOM 220 N LYS A 15 12.002 0.830 -6.580 1.00 13.33 N ATOM 221 CA LYS A 15 13.054 1.794 -6.991 1.00 21.11 C ATOM 222 C LYS A 15 12.593 2.690 -8.174 1.00 40.03 C ATOM 223 O LYS A 15 13.092 3.804 -8.342 1.00 64.24 O ATOM 224 CB LYS A 15 14.370 1.061 -7.397 1.00 70.14 C ATOM 225 CG LYS A 15 15.161 0.357 -6.268 1.00 42.05 C ATOM 226 CD LYS A 15 14.470 -0.897 -5.697 1.00 31.45 C ATOM 227 CE LYS A 15 15.408 -1.708 -4.790 1.00 32.32 C ATOM 228 NZ LYS A 15 14.733 -2.899 -4.218 1.00 65.42 N ATOM 0 H LYS A 15 12.207 -0.134 -6.841 1.00 13.33 H new ATOM 0 HA LYS A 15 13.242 2.426 -6.123 1.00 21.11 H new ATOM 0 HB2 LYS A 15 14.123 0.315 -8.153 1.00 70.14 H new ATOM 0 HB3 LYS A 15 15.030 1.788 -7.870 1.00 70.14 H new ATOM 0 HG2 LYS A 15 16.142 0.075 -6.649 1.00 42.05 H new ATOM 0 HG3 LYS A 15 15.326 1.068 -5.458 1.00 42.05 H new ATOM 0 HD2 LYS A 15 13.587 -0.599 -5.131 1.00 31.45 H new ATOM 0 HD3 LYS A 15 14.125 -1.526 -6.517 1.00 31.45 H new ATOM 0 HE2 LYS A 15 16.281 -2.025 -5.361 1.00 32.32 H new ATOM 0 HE3 LYS A 15 15.770 -1.073 -3.982 1.00 32.32 H new ATOM 0 HZ1 LYS A 15 15.400 -3.419 -3.612 1.00 65.42 H new ATOM 0 HZ2 LYS A 15 13.915 -2.596 -3.652 1.00 65.42 H new ATOM 0 HZ3 LYS A 15 14.410 -3.518 -4.988 1.00 65.42 H new ATOM 242 N GLY A 16 11.657 2.173 -8.996 1.00 23.04 N ATOM 243 CA GLY A 16 11.172 2.873 -10.197 1.00 10.40 C ATOM 244 C GLY A 16 10.185 4.016 -9.927 1.00 33.45 C ATOM 245 O GLY A 16 9.792 4.726 -10.856 1.00 1.02 O ATOM 0 H GLY A 16 11.220 1.264 -8.845 1.00 23.04 H new ATOM 0 HA2 GLY A 16 12.030 3.274 -10.737 1.00 10.40 H new ATOM 0 HA3 GLY A 16 10.693 2.147 -10.854 1.00 10.40 H new ATOM 249 N MET A 17 9.785 4.205 -8.659 1.00 14.01 N ATOM 250 CA MET A 17 8.826 5.269 -8.287 1.00 52.12 C ATOM 251 C MET A 17 9.531 6.620 -7.981 1.00 51.41 C ATOM 252 O MET A 17 8.906 7.675 -8.114 1.00 20.33 O ATOM 253 CB MET A 17 8.001 4.853 -7.055 1.00 52.24 C ATOM 254 CG MET A 17 7.139 3.605 -7.192 1.00 43.45 C ATOM 255 SD MET A 17 6.247 3.266 -5.653 1.00 30.05 S ATOM 256 CE MET A 17 5.253 1.850 -6.097 1.00 41.14 C ATOM 0 H MET A 17 10.107 3.639 -7.874 1.00 14.01 H new ATOM 0 HA MET A 17 8.172 5.407 -9.148 1.00 52.12 H new ATOM 0 HB2 MET A 17 8.688 4.701 -6.222 1.00 52.24 H new ATOM 0 HB3 MET A 17 7.352 5.686 -6.785 1.00 52.24 H new ATOM 0 HG2 MET A 17 6.428 3.736 -8.008 1.00 43.45 H new ATOM 0 HG3 MET A 17 7.766 2.751 -7.450 1.00 43.45 H new ATOM 0 HE1 MET A 17 4.895 1.359 -5.192 1.00 41.14 H new ATOM 0 HE2 MET A 17 4.401 2.176 -6.694 1.00 41.14 H new ATOM 0 HE3 MET A 17 5.855 1.150 -6.676 1.00 41.14 H new ATOM 266 N LYS A 18 10.818 6.585 -7.550 1.00 63.32 N ATOM 267 CA LYS A 18 11.555 7.816 -7.144 1.00 72.42 C ATOM 268 C LYS A 18 11.689 8.820 -8.330 1.00 14.12 C ATOM 269 O LYS A 18 12.252 8.495 -9.384 1.00 12.12 O ATOM 270 CB LYS A 18 12.962 7.466 -6.564 1.00 33.50 C ATOM 271 CG LYS A 18 13.938 6.805 -7.569 1.00 63.25 C ATOM 272 CD LYS A 18 15.355 6.581 -6.999 1.00 34.44 C ATOM 273 CE LYS A 18 16.318 5.995 -8.049 1.00 51.42 C ATOM 274 NZ LYS A 18 15.868 4.663 -8.542 1.00 64.13 N ATOM 0 H LYS A 18 11.365 5.728 -7.474 1.00 63.32 H new ATOM 0 HA LYS A 18 10.971 8.297 -6.360 1.00 72.42 H new ATOM 0 HB2 LYS A 18 13.419 8.380 -6.184 1.00 33.50 H new ATOM 0 HB3 LYS A 18 12.832 6.797 -5.713 1.00 33.50 H new ATOM 0 HG2 LYS A 18 13.527 5.846 -7.885 1.00 63.25 H new ATOM 0 HG3 LYS A 18 14.008 7.430 -8.459 1.00 63.25 H new ATOM 0 HD2 LYS A 18 15.752 7.528 -6.633 1.00 34.44 H new ATOM 0 HD3 LYS A 18 15.299 5.907 -6.144 1.00 34.44 H new ATOM 0 HE2 LYS A 18 16.399 6.684 -8.890 1.00 51.42 H new ATOM 0 HE3 LYS A 18 17.314 5.903 -7.615 1.00 51.42 H new ATOM 0 HZ1 LYS A 18 16.604 3.954 -8.349 1.00 64.13 H new ATOM 0 HZ2 LYS A 18 14.990 4.391 -8.055 1.00 64.13 H new ATOM 0 HZ3 LYS A 18 15.695 4.712 -9.566 1.00 64.13 H new ATOM 288 N GLY A 19 11.119 10.028 -8.163 1.00 10.41 N ATOM 289 CA GLY A 19 11.166 11.067 -9.208 1.00 51.43 C ATOM 290 C GLY A 19 10.195 10.821 -10.378 1.00 32.01 C ATOM 291 O GLY A 19 10.167 11.603 -11.336 1.00 64.40 O ATOM 0 H GLY A 19 10.622 10.308 -7.317 1.00 10.41 H new ATOM 0 HA2 GLY A 19 10.938 12.033 -8.757 1.00 51.43 H new ATOM 0 HA3 GLY A 19 12.182 11.130 -9.599 1.00 51.43 H new ATOM 295 N ALA A 20 9.403 9.734 -10.297 1.00 73.33 N ATOM 296 CA ALA A 20 8.463 9.333 -11.366 1.00 50.42 C ATOM 297 C ALA A 20 7.241 10.273 -11.454 1.00 54.53 C ATOM 298 O ALA A 20 6.673 10.670 -10.428 1.00 32.44 O ATOM 299 CB ALA A 20 8.001 7.884 -11.150 1.00 63.13 C ATOM 0 H ALA A 20 9.396 9.109 -9.491 1.00 73.33 H new ATOM 0 HA ALA A 20 8.999 9.407 -12.312 1.00 50.42 H new ATOM 0 HB1 ALA A 20 7.309 7.601 -11.943 1.00 63.13 H new ATOM 0 HB2 ALA A 20 8.865 7.220 -11.168 1.00 63.13 H new ATOM 0 HB3 ALA A 20 7.500 7.802 -10.185 1.00 63.13 H new ATOM 305 N GLU A 21 6.848 10.602 -12.695 1.00 52.20 N ATOM 306 CA GLU A 21 5.694 11.473 -12.979 1.00 1.41 C ATOM 307 C GLU A 21 4.371 10.670 -12.838 1.00 34.24 C ATOM 308 O GLU A 21 3.977 9.921 -13.741 1.00 71.14 O ATOM 309 CB GLU A 21 5.848 12.064 -14.406 1.00 63.31 C ATOM 310 CG GLU A 21 4.709 12.987 -14.874 1.00 24.24 C ATOM 311 CD GLU A 21 4.859 13.409 -16.347 1.00 4.12 C ATOM 312 OE1 GLU A 21 4.395 12.666 -17.240 1.00 43.40 O ATOM 313 OE2 GLU A 21 5.464 14.470 -16.619 1.00 61.34 O ATOM 0 H GLU A 21 7.324 10.270 -13.534 1.00 52.20 H new ATOM 0 HA GLU A 21 5.659 12.293 -12.262 1.00 1.41 H new ATOM 0 HB2 GLU A 21 6.783 12.622 -14.449 1.00 63.31 H new ATOM 0 HB3 GLU A 21 5.936 11.239 -15.113 1.00 63.31 H new ATOM 0 HG2 GLU A 21 3.755 12.477 -14.741 1.00 24.24 H new ATOM 0 HG3 GLU A 21 4.685 13.877 -14.245 1.00 24.24 H new ATOM 320 N ALA A 22 3.733 10.801 -11.663 1.00 11.54 N ATOM 321 CA ALA A 22 2.442 10.158 -11.342 1.00 70.30 C ATOM 322 C ALA A 22 1.251 11.103 -11.620 1.00 4.31 C ATOM 323 O ALA A 22 1.406 12.324 -11.654 1.00 14.21 O ATOM 324 CB ALA A 22 2.439 9.710 -9.871 1.00 72.25 C ATOM 0 H ALA A 22 4.102 11.364 -10.897 1.00 11.54 H new ATOM 0 HA ALA A 22 2.325 9.287 -11.987 1.00 70.30 H new ATOM 0 HB1 ALA A 22 1.486 9.236 -9.637 1.00 72.25 H new ATOM 0 HB2 ALA A 22 3.248 8.999 -9.706 1.00 72.25 H new ATOM 0 HB3 ALA A 22 2.581 10.577 -9.226 1.00 72.25 H new ATOM 330 N THR A 23 0.065 10.519 -11.822 1.00 63.23 N ATOM 331 CA THR A 23 -1.203 11.271 -11.962 1.00 12.44 C ATOM 332 C THR A 23 -2.232 10.712 -10.957 1.00 43.51 C ATOM 333 O THR A 23 -2.516 9.513 -10.971 1.00 23.31 O ATOM 334 CB THR A 23 -1.794 11.178 -13.417 1.00 30.23 C ATOM 335 OG1 THR A 23 -0.807 11.563 -14.386 1.00 54.54 O ATOM 336 CG2 THR A 23 -3.045 12.065 -13.593 1.00 65.13 C ATOM 0 H THR A 23 -0.051 9.508 -11.894 1.00 63.23 H new ATOM 0 HA THR A 23 -0.993 12.321 -11.760 1.00 12.44 H new ATOM 0 HB THR A 23 -2.085 10.139 -13.574 1.00 30.23 H new ATOM 0 HG1 THR A 23 -1.189 11.498 -15.286 1.00 54.54 H new ATOM 0 HG21 THR A 23 -3.419 11.969 -14.612 1.00 65.13 H new ATOM 0 HG22 THR A 23 -3.817 11.748 -12.892 1.00 65.13 H new ATOM 0 HG23 THR A 23 -2.784 13.105 -13.399 1.00 65.13 H new ATOM 344 N VAL A 24 -2.786 11.588 -10.097 1.00 54.44 N ATOM 345 CA VAL A 24 -3.771 11.197 -9.061 1.00 1.20 C ATOM 346 C VAL A 24 -5.136 10.874 -9.722 1.00 21.40 C ATOM 347 O VAL A 24 -5.863 11.768 -10.128 1.00 30.35 O ATOM 348 CB VAL A 24 -3.950 12.323 -7.970 1.00 55.53 C ATOM 349 CG1 VAL A 24 -4.920 11.880 -6.839 1.00 43.23 C ATOM 350 CG2 VAL A 24 -2.581 12.766 -7.391 1.00 43.34 C ATOM 0 H VAL A 24 -2.567 12.584 -10.098 1.00 54.44 H new ATOM 0 HA VAL A 24 -3.390 10.307 -8.559 1.00 1.20 H new ATOM 0 HB VAL A 24 -4.399 13.184 -8.465 1.00 55.53 H new ATOM 0 HG11 VAL A 24 -5.017 12.682 -6.108 1.00 43.23 H new ATOM 0 HG12 VAL A 24 -5.898 11.657 -7.265 1.00 43.23 H new ATOM 0 HG13 VAL A 24 -4.526 10.989 -6.350 1.00 43.23 H new ATOM 0 HG21 VAL A 24 -2.737 13.542 -6.642 1.00 43.34 H new ATOM 0 HG22 VAL A 24 -2.087 11.911 -6.930 1.00 43.34 H new ATOM 0 HG23 VAL A 24 -1.956 13.157 -8.194 1.00 43.34 H new ATOM 360 N THR A 25 -5.441 9.584 -9.868 1.00 71.14 N ATOM 361 CA THR A 25 -6.697 9.109 -10.503 1.00 43.42 C ATOM 362 C THR A 25 -7.769 8.694 -9.469 1.00 45.11 C ATOM 363 O THR A 25 -8.884 8.327 -9.853 1.00 12.43 O ATOM 364 CB THR A 25 -6.421 7.917 -11.475 1.00 13.43 C ATOM 365 OG1 THR A 25 -5.888 6.787 -10.760 1.00 43.05 O ATOM 366 CG2 THR A 25 -5.447 8.312 -12.590 1.00 23.42 C ATOM 0 H THR A 25 -4.832 8.829 -9.553 1.00 71.14 H new ATOM 0 HA THR A 25 -7.088 9.956 -11.067 1.00 43.42 H new ATOM 0 HB THR A 25 -7.376 7.646 -11.925 1.00 13.43 H new ATOM 0 HG1 THR A 25 -5.598 7.071 -9.868 1.00 43.05 H new ATOM 0 HG21 THR A 25 -5.279 7.458 -13.246 1.00 23.42 H new ATOM 0 HG22 THR A 25 -5.869 9.135 -13.167 1.00 23.42 H new ATOM 0 HG23 THR A 25 -4.499 8.624 -12.151 1.00 23.42 H new ATOM 374 N GLY A 26 -7.432 8.753 -8.166 1.00 64.05 N ATOM 375 CA GLY A 26 -8.384 8.423 -7.094 1.00 72.30 C ATOM 376 C GLY A 26 -7.904 8.906 -5.722 1.00 23.52 C ATOM 377 O GLY A 26 -6.697 9.009 -5.487 1.00 5.53 O ATOM 0 H GLY A 26 -6.507 9.026 -7.833 1.00 64.05 H new ATOM 0 HA2 GLY A 26 -9.351 8.874 -7.318 1.00 72.30 H new ATOM 0 HA3 GLY A 26 -8.535 7.344 -7.065 1.00 72.30 H new ATOM 381 N ALA A 27 -8.858 9.197 -4.822 1.00 55.43 N ATOM 382 CA ALA A 27 -8.575 9.656 -3.440 1.00 11.24 C ATOM 383 C ALA A 27 -9.488 8.922 -2.425 1.00 74.41 C ATOM 384 O ALA A 27 -10.701 9.155 -2.377 1.00 3.31 O ATOM 385 CB ALA A 27 -8.752 11.185 -3.350 1.00 64.44 C ATOM 0 H ALA A 27 -9.854 9.122 -5.028 1.00 55.43 H new ATOM 0 HA ALA A 27 -7.542 9.415 -3.188 1.00 11.24 H new ATOM 0 HB1 ALA A 27 -8.543 11.516 -2.333 1.00 64.44 H new ATOM 0 HB2 ALA A 27 -8.062 11.672 -4.039 1.00 64.44 H new ATOM 0 HB3 ALA A 27 -9.776 11.449 -3.614 1.00 64.44 H new ATOM 391 N TYR A 28 -8.889 8.017 -1.632 1.00 2.52 N ATOM 392 CA TYR A 28 -9.618 7.127 -0.688 1.00 34.44 C ATOM 393 C TYR A 28 -9.356 7.554 0.774 1.00 24.21 C ATOM 394 O TYR A 28 -8.203 7.580 1.210 1.00 71.31 O ATOM 395 CB TYR A 28 -9.148 5.652 -0.861 1.00 14.53 C ATOM 396 CG TYR A 28 -9.333 5.034 -2.260 1.00 71.21 C ATOM 397 CD1 TYR A 28 -8.637 5.525 -3.374 1.00 11.52 C ATOM 398 CD2 TYR A 28 -10.178 3.938 -2.461 1.00 21.13 C ATOM 399 CE1 TYR A 28 -8.780 4.949 -4.620 1.00 40.33 C ATOM 400 CE2 TYR A 28 -10.323 3.364 -3.709 1.00 25.32 C ATOM 401 CZ TYR A 28 -9.623 3.874 -4.785 1.00 24.53 C ATOM 402 OH TYR A 28 -9.755 3.296 -6.029 1.00 2.01 O ATOM 0 H TYR A 28 -7.879 7.875 -1.622 1.00 2.52 H new ATOM 0 HA TYR A 28 -10.682 7.207 -0.910 1.00 34.44 H new ATOM 0 HB2 TYR A 28 -8.091 5.597 -0.600 1.00 14.53 H new ATOM 0 HB3 TYR A 28 -9.686 5.035 -0.141 1.00 14.53 H new ATOM 0 HD1 TYR A 28 -7.976 6.371 -3.255 1.00 11.52 H new ATOM 0 HD2 TYR A 28 -10.728 3.533 -1.624 1.00 21.13 H new ATOM 0 HE1 TYR A 28 -8.231 5.341 -5.464 1.00 40.33 H new ATOM 0 HE2 TYR A 28 -10.982 2.519 -3.843 1.00 25.32 H new ATOM 0 HH TYR A 28 -10.386 2.548 -5.977 1.00 2.01 H new ATOM 412 N ASP A 29 -10.419 7.860 1.531 1.00 33.41 N ATOM 413 CA ASP A 29 -10.311 8.187 2.973 1.00 12.33 C ATOM 414 C ASP A 29 -10.692 6.942 3.824 1.00 2.30 C ATOM 415 O ASP A 29 -11.837 6.764 4.248 1.00 11.05 O ATOM 416 CB ASP A 29 -11.152 9.456 3.318 1.00 64.02 C ATOM 417 CG ASP A 29 -12.649 9.350 2.960 1.00 61.20 C ATOM 418 OD1 ASP A 29 -12.975 9.337 1.756 1.00 13.03 O ATOM 419 OD2 ASP A 29 -13.502 9.273 3.877 1.00 43.54 O ATOM 0 H ASP A 29 -11.373 7.890 1.172 1.00 33.41 H new ATOM 0 HA ASP A 29 -9.279 8.438 3.219 1.00 12.33 H new ATOM 0 HB2 ASP A 29 -11.060 9.658 4.385 1.00 64.02 H new ATOM 0 HB3 ASP A 29 -10.726 10.312 2.794 1.00 64.02 H new ATOM 424 N THR A 30 -9.705 6.047 4.016 1.00 33.33 N ATOM 425 CA THR A 30 -9.904 4.729 4.688 1.00 21.44 C ATOM 426 C THR A 30 -8.792 4.452 5.734 1.00 34.43 C ATOM 427 O THR A 30 -7.800 5.181 5.813 1.00 35.12 O ATOM 428 CB THR A 30 -9.954 3.567 3.625 1.00 54.02 C ATOM 429 OG1 THR A 30 -10.152 2.289 4.265 1.00 45.42 O ATOM 430 CG2 THR A 30 -8.680 3.516 2.757 1.00 43.24 C ATOM 0 H THR A 30 -8.744 6.208 3.713 1.00 33.33 H new ATOM 0 HA THR A 30 -10.858 4.768 5.214 1.00 21.44 H new ATOM 0 HB THR A 30 -10.801 3.780 2.972 1.00 54.02 H new ATOM 0 HG1 THR A 30 -10.181 1.584 3.585 1.00 45.42 H new ATOM 0 HG21 THR A 30 -8.761 2.699 2.040 1.00 43.24 H new ATOM 0 HG22 THR A 30 -8.566 4.459 2.222 1.00 43.24 H new ATOM 0 HG23 THR A 30 -7.811 3.354 3.395 1.00 43.24 H new ATOM 438 N THR A 31 -8.973 3.391 6.543 1.00 30.35 N ATOM 439 CA THR A 31 -7.966 2.956 7.541 1.00 50.35 C ATOM 440 C THR A 31 -6.958 1.987 6.885 1.00 41.23 C ATOM 441 O THR A 31 -7.347 0.935 6.363 1.00 31.23 O ATOM 442 CB THR A 31 -8.630 2.263 8.784 1.00 22.33 C ATOM 443 OG1 THR A 31 -9.638 3.122 9.343 1.00 33.44 O ATOM 444 CG2 THR A 31 -7.598 1.920 9.882 1.00 43.31 C ATOM 0 H THR A 31 -9.813 2.812 6.527 1.00 30.35 H new ATOM 0 HA THR A 31 -7.449 3.848 7.893 1.00 50.35 H new ATOM 0 HB THR A 31 -9.074 1.331 8.433 1.00 22.33 H new ATOM 0 HG1 THR A 31 -10.469 2.617 9.462 1.00 33.44 H new ATOM 0 HG21 THR A 31 -8.104 1.443 10.721 1.00 43.31 H new ATOM 0 HG22 THR A 31 -6.848 1.241 9.477 1.00 43.31 H new ATOM 0 HG23 THR A 31 -7.113 2.834 10.224 1.00 43.31 H new ATOM 452 N ALA A 32 -5.665 2.346 6.946 1.00 32.22 N ATOM 453 CA ALA A 32 -4.561 1.564 6.363 1.00 30.22 C ATOM 454 C ALA A 32 -3.643 1.022 7.489 1.00 5.41 C ATOM 455 O ALA A 32 -3.575 1.597 8.581 1.00 44.12 O ATOM 456 CB ALA A 32 -3.783 2.432 5.366 1.00 1.51 C ATOM 0 H ALA A 32 -5.352 3.200 7.408 1.00 32.22 H new ATOM 0 HA ALA A 32 -4.962 0.707 5.822 1.00 30.22 H new ATOM 0 HB1 ALA A 32 -2.967 1.851 4.937 1.00 1.51 H new ATOM 0 HB2 ALA A 32 -4.452 2.761 4.571 1.00 1.51 H new ATOM 0 HB3 ALA A 32 -3.376 3.302 5.881 1.00 1.51 H new ATOM 462 N TYR A 33 -2.935 -0.088 7.220 1.00 75.13 N ATOM 463 CA TYR A 33 -2.200 -0.853 8.261 1.00 60.12 C ATOM 464 C TYR A 33 -0.738 -1.157 7.870 1.00 53.51 C ATOM 465 O TYR A 33 -0.393 -1.302 6.691 1.00 70.03 O ATOM 466 CB TYR A 33 -2.953 -2.180 8.582 1.00 13.11 C ATOM 467 CG TYR A 33 -4.305 -1.966 9.275 1.00 34.24 C ATOM 468 CD1 TYR A 33 -4.363 -1.703 10.644 1.00 12.43 C ATOM 469 CD2 TYR A 33 -5.514 -2.002 8.566 1.00 11.45 C ATOM 470 CE1 TYR A 33 -5.562 -1.477 11.277 1.00 22.24 C ATOM 471 CE2 TYR A 33 -6.721 -1.783 9.205 1.00 34.32 C ATOM 472 CZ TYR A 33 -6.734 -1.521 10.563 1.00 53.33 C ATOM 473 OH TYR A 33 -7.922 -1.277 11.209 1.00 61.12 O ATOM 0 H TYR A 33 -2.852 -0.484 6.284 1.00 75.13 H new ATOM 0 HA TYR A 33 -2.164 -0.220 9.148 1.00 60.12 H new ATOM 0 HB2 TYR A 33 -3.112 -2.731 7.655 1.00 13.11 H new ATOM 0 HB3 TYR A 33 -2.322 -2.801 9.218 1.00 13.11 H new ATOM 0 HD1 TYR A 33 -3.448 -1.676 11.217 1.00 12.43 H new ATOM 0 HD2 TYR A 33 -5.503 -2.204 7.505 1.00 11.45 H new ATOM 0 HE1 TYR A 33 -5.582 -1.265 12.336 1.00 22.24 H new ATOM 0 HE2 TYR A 33 -7.646 -1.816 8.648 1.00 34.32 H new ATOM 0 HH TYR A 33 -8.659 -1.312 10.564 1.00 61.12 H new ATOM 483 N VAL A 34 0.102 -1.231 8.916 1.00 74.11 N ATOM 484 CA VAL A 34 1.503 -1.679 8.845 1.00 23.01 C ATOM 485 C VAL A 34 1.569 -3.135 9.372 1.00 53.11 C ATOM 486 O VAL A 34 1.324 -3.366 10.561 1.00 73.24 O ATOM 487 CB VAL A 34 2.420 -0.737 9.716 1.00 13.41 C ATOM 488 CG1 VAL A 34 3.904 -1.171 9.662 1.00 51.24 C ATOM 489 CG2 VAL A 34 2.258 0.748 9.290 1.00 14.01 C ATOM 0 H VAL A 34 -0.183 -0.974 9.861 1.00 74.11 H new ATOM 0 HA VAL A 34 1.861 -1.638 7.816 1.00 23.01 H new ATOM 0 HB VAL A 34 2.091 -0.831 10.751 1.00 13.41 H new ATOM 0 HG11 VAL A 34 4.503 -0.497 10.275 1.00 51.24 H new ATOM 0 HG12 VAL A 34 4.000 -2.188 10.042 1.00 51.24 H new ATOM 0 HG13 VAL A 34 4.257 -1.134 8.631 1.00 51.24 H new ATOM 0 HG21 VAL A 34 2.901 1.376 9.907 1.00 14.01 H new ATOM 0 HG22 VAL A 34 2.539 0.859 8.243 1.00 14.01 H new ATOM 0 HG23 VAL A 34 1.220 1.053 9.421 1.00 14.01 H new ATOM 499 N VAL A 35 1.848 -4.118 8.483 1.00 4.12 N ATOM 500 CA VAL A 35 1.774 -5.570 8.833 1.00 11.42 C ATOM 501 C VAL A 35 3.093 -6.339 8.539 1.00 23.30 C ATOM 502 O VAL A 35 3.805 -6.049 7.585 1.00 54.41 O ATOM 503 CB VAL A 35 0.582 -6.282 8.075 1.00 23.51 C ATOM 504 CG1 VAL A 35 -0.789 -5.759 8.572 1.00 13.42 C ATOM 505 CG2 VAL A 35 0.711 -6.119 6.537 1.00 45.42 C ATOM 0 H VAL A 35 2.127 -3.939 7.518 1.00 4.12 H new ATOM 0 HA VAL A 35 1.602 -5.601 9.909 1.00 11.42 H new ATOM 0 HB VAL A 35 0.640 -7.346 8.303 1.00 23.51 H new ATOM 0 HG11 VAL A 35 -1.589 -6.266 8.033 1.00 13.42 H new ATOM 0 HG12 VAL A 35 -0.888 -5.956 9.639 1.00 13.42 H new ATOM 0 HG13 VAL A 35 -0.855 -4.686 8.394 1.00 13.42 H new ATOM 0 HG21 VAL A 35 -0.124 -6.620 6.047 1.00 45.42 H new ATOM 0 HG22 VAL A 35 0.699 -5.060 6.281 1.00 45.42 H new ATOM 0 HG23 VAL A 35 1.648 -6.563 6.201 1.00 45.42 H new ATOM 515 N SER A 36 3.378 -7.351 9.381 1.00 22.05 N ATOM 516 CA SER A 36 4.547 -8.256 9.239 1.00 52.32 C ATOM 517 C SER A 36 4.089 -9.710 9.024 1.00 31.12 C ATOM 518 O SER A 36 3.295 -10.234 9.797 1.00 74.33 O ATOM 519 CB SER A 36 5.453 -8.165 10.488 1.00 41.55 C ATOM 520 OG SER A 36 4.749 -8.469 11.680 1.00 2.41 O ATOM 0 H SER A 36 2.798 -7.570 10.191 1.00 22.05 H new ATOM 0 HA SER A 36 5.117 -7.940 8.365 1.00 52.32 H new ATOM 0 HB2 SER A 36 6.292 -8.852 10.378 1.00 41.55 H new ATOM 0 HB3 SER A 36 5.871 -7.161 10.560 1.00 41.55 H new ATOM 0 HG SER A 36 4.678 -7.663 12.233 1.00 2.41 H new ATOM 526 N TYR A 37 4.630 -10.378 8.001 1.00 2.00 N ATOM 527 CA TYR A 37 4.153 -11.709 7.574 1.00 54.24 C ATOM 528 C TYR A 37 5.216 -12.457 6.766 1.00 20.05 C ATOM 529 O TYR A 37 6.142 -11.860 6.206 1.00 42.04 O ATOM 530 CB TYR A 37 2.833 -11.598 6.752 1.00 60.02 C ATOM 531 CG TYR A 37 2.899 -10.681 5.520 1.00 31.52 C ATOM 532 CD1 TYR A 37 2.707 -9.303 5.642 1.00 0.13 C ATOM 533 CD2 TYR A 37 3.153 -11.190 4.240 1.00 5.05 C ATOM 534 CE1 TYR A 37 2.766 -8.470 4.547 1.00 75.21 C ATOM 535 CE2 TYR A 37 3.214 -10.355 3.138 1.00 34.45 C ATOM 536 CZ TYR A 37 3.019 -8.995 3.302 1.00 51.11 C ATOM 537 OH TYR A 37 3.081 -8.151 2.218 1.00 32.13 O ATOM 0 H TYR A 37 5.406 -10.020 7.445 1.00 2.00 H new ATOM 0 HA TYR A 37 3.951 -12.281 8.480 1.00 54.24 H new ATOM 0 HB2 TYR A 37 2.543 -12.597 6.425 1.00 60.02 H new ATOM 0 HB3 TYR A 37 2.044 -11.237 7.411 1.00 60.02 H new ATOM 0 HD1 TYR A 37 2.508 -8.882 6.616 1.00 0.13 H new ATOM 0 HD2 TYR A 37 3.304 -12.252 4.111 1.00 5.05 H new ATOM 0 HE1 TYR A 37 2.614 -7.407 4.666 1.00 75.21 H new ATOM 0 HE2 TYR A 37 3.412 -10.762 2.157 1.00 34.45 H new ATOM 0 HH TYR A 37 3.773 -7.474 2.370 1.00 32.13 H new ATOM 547 N THR A 38 5.043 -13.775 6.697 1.00 22.24 N ATOM 548 CA THR A 38 5.866 -14.650 5.854 1.00 1.22 C ATOM 549 C THR A 38 4.951 -15.227 4.750 1.00 4.43 C ATOM 550 O THR A 38 3.971 -15.909 5.079 1.00 54.31 O ATOM 551 CB THR A 38 6.524 -15.812 6.669 1.00 21.50 C ATOM 552 OG1 THR A 38 7.292 -15.268 7.760 1.00 21.40 O ATOM 553 CG2 THR A 38 7.442 -16.688 5.788 1.00 21.24 C ATOM 0 H THR A 38 4.326 -14.272 7.225 1.00 22.24 H new ATOM 0 HA THR A 38 6.684 -14.069 5.428 1.00 1.22 H new ATOM 0 HB THR A 38 5.720 -16.442 7.049 1.00 21.50 H new ATOM 0 HG1 THR A 38 7.701 -15.999 8.269 1.00 21.40 H new ATOM 0 HG21 THR A 38 7.878 -17.482 6.394 1.00 21.24 H new ATOM 0 HG22 THR A 38 6.858 -17.128 4.979 1.00 21.24 H new ATOM 0 HG23 THR A 38 8.238 -16.073 5.368 1.00 21.24 H new ATOM 561 N PRO A 39 5.212 -14.918 3.435 1.00 15.23 N ATOM 562 CA PRO A 39 4.430 -15.480 2.290 1.00 2.15 C ATOM 563 C PRO A 39 4.289 -17.037 2.343 1.00 42.13 C ATOM 564 O PRO A 39 5.201 -17.729 2.808 1.00 32.23 O ATOM 565 CB PRO A 39 5.250 -15.018 1.037 1.00 54.44 C ATOM 566 CG PRO A 39 6.558 -14.508 1.577 1.00 73.13 C ATOM 567 CD PRO A 39 6.254 -13.977 2.954 1.00 22.24 C ATOM 0 HA PRO A 39 3.398 -15.129 2.290 1.00 2.15 H new ATOM 0 HB2 PRO A 39 5.407 -15.845 0.344 1.00 54.44 H new ATOM 0 HB3 PRO A 39 4.722 -14.239 0.488 1.00 54.44 H new ATOM 0 HG2 PRO A 39 7.301 -15.305 1.620 1.00 73.13 H new ATOM 0 HG3 PRO A 39 6.967 -13.726 0.938 1.00 73.13 H new ATOM 0 HD2 PRO A 39 7.135 -13.984 3.596 1.00 22.24 H new ATOM 0 HD3 PRO A 39 5.891 -12.950 2.922 1.00 22.24 H new ATOM 575 N THR A 40 3.145 -17.567 1.851 1.00 3.22 N ATOM 576 CA THR A 40 2.847 -19.033 1.840 1.00 75.33 C ATOM 577 C THR A 40 3.844 -19.822 0.951 1.00 31.23 C ATOM 578 O THR A 40 3.965 -21.046 1.072 1.00 52.12 O ATOM 579 CB THR A 40 1.392 -19.325 1.336 1.00 72.43 C ATOM 580 OG1 THR A 40 1.284 -18.978 -0.052 1.00 41.24 O ATOM 581 CG2 THR A 40 0.330 -18.543 2.136 1.00 53.24 C ATOM 0 H THR A 40 2.399 -16.999 1.450 1.00 3.22 H new ATOM 0 HA THR A 40 2.948 -19.365 2.873 1.00 75.33 H new ATOM 0 HB THR A 40 1.205 -20.389 1.481 1.00 72.43 H new ATOM 0 HG1 THR A 40 0.374 -19.163 -0.366 1.00 41.24 H new ATOM 0 HG21 THR A 40 -0.662 -18.778 1.750 1.00 53.24 H new ATOM 0 HG22 THR A 40 0.386 -18.824 3.188 1.00 53.24 H new ATOM 0 HG23 THR A 40 0.514 -17.473 2.036 1.00 53.24 H new ATOM 589 N ASN A 41 4.534 -19.090 0.046 1.00 3.34 N ATOM 590 CA ASN A 41 5.627 -19.632 -0.798 1.00 15.20 C ATOM 591 C ASN A 41 6.866 -20.057 0.052 1.00 53.32 C ATOM 592 O ASN A 41 7.678 -20.887 -0.377 1.00 62.50 O ATOM 593 CB ASN A 41 6.001 -18.549 -1.847 1.00 42.35 C ATOM 594 CG ASN A 41 7.043 -19.010 -2.865 1.00 70.30 C ATOM 595 OD1 ASN A 41 8.241 -18.802 -2.696 1.00 14.35 O ATOM 596 ND2 ASN A 41 6.597 -19.647 -3.927 1.00 12.34 N ATOM 0 H ASN A 41 4.348 -18.101 -0.121 1.00 3.34 H new ATOM 0 HA ASN A 41 5.286 -20.538 -1.300 1.00 15.20 H new ATOM 0 HB2 ASN A 41 5.099 -18.243 -2.377 1.00 42.35 H new ATOM 0 HB3 ASN A 41 6.379 -17.669 -1.327 1.00 42.35 H new ATOM 0 HD21 ASN A 41 7.252 -19.981 -4.634 1.00 12.34 H new ATOM 0 HD22 ASN A 41 5.596 -19.807 -4.043 1.00 12.34 H new ATOM 603 N GLY A 42 6.968 -19.491 1.270 1.00 0.12 N ATOM 604 CA GLY A 42 7.979 -19.884 2.265 1.00 65.31 C ATOM 605 C GLY A 42 9.418 -19.489 1.910 1.00 75.13 C ATOM 606 O GLY A 42 10.362 -20.220 2.244 1.00 63.40 O ATOM 0 H GLY A 42 6.349 -18.746 1.590 1.00 0.12 H new ATOM 0 HA2 GLY A 42 7.719 -19.434 3.223 1.00 65.31 H new ATOM 0 HA3 GLY A 42 7.936 -20.965 2.398 1.00 65.31 H new ATOM 610 N GLY A 43 9.590 -18.339 1.224 1.00 42.11 N ATOM 611 CA GLY A 43 10.923 -17.793 0.921 1.00 12.24 C ATOM 612 C GLY A 43 11.367 -16.754 1.959 1.00 60.53 C ATOM 613 O GLY A 43 11.608 -17.106 3.120 1.00 4.25 O ATOM 0 H GLY A 43 8.819 -17.773 0.871 1.00 42.11 H new ATOM 0 HA2 GLY A 43 11.649 -18.606 0.888 1.00 12.24 H new ATOM 0 HA3 GLY A 43 10.911 -17.335 -0.068 1.00 12.24 H new ATOM 617 N GLN A 44 11.497 -15.475 1.540 1.00 72.20 N ATOM 618 CA GLN A 44 11.779 -14.334 2.450 1.00 31.31 C ATOM 619 C GLN A 44 10.571 -13.974 3.364 1.00 14.45 C ATOM 620 O GLN A 44 9.485 -14.548 3.255 1.00 50.31 O ATOM 621 CB GLN A 44 12.208 -13.092 1.616 1.00 33.22 C ATOM 622 CG GLN A 44 13.534 -13.262 0.847 1.00 13.40 C ATOM 623 CD GLN A 44 13.965 -11.996 0.104 1.00 72.42 C ATOM 624 OE1 GLN A 44 14.681 -11.153 0.637 1.00 34.30 O ATOM 625 NE2 GLN A 44 13.521 -11.846 -1.132 1.00 62.31 N ATOM 0 H GLN A 44 11.410 -15.201 0.561 1.00 72.20 H new ATOM 0 HA GLN A 44 12.590 -14.642 3.110 1.00 31.31 H new ATOM 0 HB2 GLN A 44 11.417 -12.859 0.903 1.00 33.22 H new ATOM 0 HB3 GLN A 44 12.298 -12.235 2.284 1.00 33.22 H new ATOM 0 HG2 GLN A 44 14.318 -13.550 1.547 1.00 13.40 H new ATOM 0 HG3 GLN A 44 13.430 -14.078 0.132 1.00 13.40 H new ATOM 0 HE21 GLN A 44 12.927 -12.562 -1.551 1.00 62.31 H new ATOM 0 HE22 GLN A 44 13.772 -11.014 -1.667 1.00 62.31 H new ATOM 634 N ARG A 45 10.809 -13.010 4.275 1.00 51.52 N ATOM 635 CA ARG A 45 9.781 -12.489 5.207 1.00 41.03 C ATOM 636 C ARG A 45 9.550 -10.994 4.901 1.00 73.33 C ATOM 637 O ARG A 45 10.516 -10.223 4.839 1.00 51.54 O ATOM 638 CB ARG A 45 10.207 -12.643 6.696 1.00 40.52 C ATOM 639 CG ARG A 45 9.124 -12.169 7.711 1.00 53.11 C ATOM 640 CD ARG A 45 9.674 -11.896 9.124 1.00 61.50 C ATOM 641 NE ARG A 45 10.606 -10.752 9.142 1.00 25.10 N ATOM 642 CZ ARG A 45 11.252 -10.300 10.196 1.00 32.34 C ATOM 643 NH1 ARG A 45 11.111 -10.841 11.369 1.00 41.03 N ATOM 644 NH2 ARG A 45 12.040 -9.287 10.070 1.00 13.20 N ATOM 0 H ARG A 45 11.721 -12.567 4.388 1.00 51.52 H new ATOM 0 HA ARG A 45 8.868 -13.067 5.062 1.00 41.03 H new ATOM 0 HB2 ARG A 45 10.441 -13.689 6.891 1.00 40.52 H new ATOM 0 HB3 ARG A 45 11.122 -12.075 6.863 1.00 40.52 H new ATOM 0 HG2 ARG A 45 8.656 -11.261 7.331 1.00 53.11 H new ATOM 0 HG3 ARG A 45 8.343 -12.927 7.775 1.00 53.11 H new ATOM 0 HD2 ARG A 45 8.845 -11.699 9.804 1.00 61.50 H new ATOM 0 HD3 ARG A 45 10.185 -12.786 9.493 1.00 61.50 H new ATOM 0 HE ARG A 45 10.764 -10.268 8.258 1.00 25.10 H new ATOM 0 HH11 ARG A 45 10.486 -11.638 11.491 1.00 41.03 H new ATOM 0 HH12 ARG A 45 11.625 -10.469 12.167 1.00 41.03 H new ATOM 0 HH21 ARG A 45 12.158 -8.843 9.159 1.00 13.20 H new ATOM 0 HH22 ARG A 45 12.545 -8.930 10.881 1.00 13.20 H new ATOM 658 N VAL A 46 8.285 -10.587 4.727 1.00 13.24 N ATOM 659 CA VAL A 46 7.921 -9.175 4.470 1.00 54.43 C ATOM 660 C VAL A 46 7.325 -8.542 5.750 1.00 11.31 C ATOM 661 O VAL A 46 6.165 -8.785 6.097 1.00 62.44 O ATOM 662 CB VAL A 46 6.911 -9.053 3.267 1.00 62.24 C ATOM 663 CG1 VAL A 46 6.613 -7.567 2.914 1.00 51.40 C ATOM 664 CG2 VAL A 46 7.440 -9.836 2.035 1.00 71.10 C ATOM 0 H VAL A 46 7.485 -11.219 4.759 1.00 13.24 H new ATOM 0 HA VAL A 46 8.826 -8.633 4.195 1.00 54.43 H new ATOM 0 HB VAL A 46 5.965 -9.500 3.574 1.00 62.24 H new ATOM 0 HG11 VAL A 46 5.913 -7.525 2.080 1.00 51.40 H new ATOM 0 HG12 VAL A 46 6.177 -7.068 3.779 1.00 51.40 H new ATOM 0 HG13 VAL A 46 7.540 -7.066 2.635 1.00 51.40 H new ATOM 0 HG21 VAL A 46 6.731 -9.742 1.212 1.00 71.10 H new ATOM 0 HG22 VAL A 46 8.404 -9.428 1.731 1.00 71.10 H new ATOM 0 HG23 VAL A 46 7.556 -10.888 2.295 1.00 71.10 H new ATOM 674 N ASP A 47 8.141 -7.732 6.448 1.00 54.13 N ATOM 675 CA ASP A 47 7.760 -7.083 7.725 1.00 41.10 C ATOM 676 C ASP A 47 7.585 -5.559 7.547 1.00 65.11 C ATOM 677 O ASP A 47 8.203 -4.960 6.661 1.00 62.13 O ATOM 678 CB ASP A 47 8.804 -7.384 8.832 1.00 14.13 C ATOM 679 CG ASP A 47 10.234 -6.968 8.446 1.00 41.33 C ATOM 680 OD1 ASP A 47 10.915 -7.748 7.737 1.00 21.41 O ATOM 681 OD2 ASP A 47 10.681 -5.867 8.850 1.00 51.42 O ATOM 0 H ASP A 47 9.088 -7.505 6.145 1.00 54.13 H new ATOM 0 HA ASP A 47 6.801 -7.500 8.034 1.00 41.10 H new ATOM 0 HB2 ASP A 47 8.515 -6.864 9.746 1.00 14.13 H new ATOM 0 HB3 ASP A 47 8.791 -8.451 9.055 1.00 14.13 H new ATOM 686 N HIS A 48 6.746 -4.948 8.421 1.00 31.42 N ATOM 687 CA HIS A 48 6.465 -3.484 8.429 1.00 43.40 C ATOM 688 C HIS A 48 5.950 -2.972 7.047 1.00 53.54 C ATOM 689 O HIS A 48 6.187 -1.825 6.648 1.00 52.55 O ATOM 690 CB HIS A 48 7.722 -2.710 8.927 1.00 11.41 C ATOM 691 CG HIS A 48 8.197 -3.169 10.285 1.00 63.04 C ATOM 692 ND1 HIS A 48 9.450 -3.690 10.515 1.00 14.04 N ATOM 693 CD2 HIS A 48 7.566 -3.193 11.483 1.00 21.43 C ATOM 694 CE1 HIS A 48 9.569 -4.009 11.786 1.00 53.43 C ATOM 695 NE2 HIS A 48 8.442 -3.718 12.396 1.00 41.31 N ATOM 0 H HIS A 48 6.241 -5.458 9.146 1.00 31.42 H new ATOM 0 HA HIS A 48 5.651 -3.292 9.128 1.00 43.40 H new ATOM 0 HB2 HIS A 48 8.529 -2.835 8.205 1.00 11.41 H new ATOM 0 HB3 HIS A 48 7.493 -1.645 8.969 1.00 11.41 H new ATOM 0 HD1 HIS A 48 10.175 -3.810 9.808 1.00 14.04 H new ATOM 0 HD2 HIS A 48 6.558 -2.860 11.682 1.00 21.43 H new ATOM 0 HE1 HIS A 48 10.445 -4.438 12.250 1.00 53.43 H new ATOM 704 N HIS A 49 5.196 -3.850 6.368 1.00 34.23 N ATOM 705 CA HIS A 49 4.642 -3.622 5.019 1.00 14.12 C ATOM 706 C HIS A 49 3.507 -2.572 5.040 1.00 42.40 C ATOM 707 O HIS A 49 2.604 -2.628 5.880 1.00 51.01 O ATOM 708 CB HIS A 49 4.126 -4.969 4.439 1.00 23.33 C ATOM 709 CG HIS A 49 3.440 -4.862 3.091 1.00 70.53 C ATOM 710 ND1 HIS A 49 4.159 -4.771 1.924 1.00 65.33 N ATOM 711 CD2 HIS A 49 2.112 -4.825 2.787 1.00 63.44 C ATOM 712 CE1 HIS A 49 3.269 -4.676 0.951 1.00 31.13 C ATOM 713 NE2 HIS A 49 2.017 -4.705 1.425 1.00 32.51 N ATOM 0 H HIS A 49 4.947 -4.763 6.749 1.00 34.23 H new ATOM 0 HA HIS A 49 5.435 -3.229 4.382 1.00 14.12 H new ATOM 0 HB2 HIS A 49 4.968 -5.655 4.349 1.00 23.33 H new ATOM 0 HB3 HIS A 49 3.429 -5.411 5.151 1.00 23.33 H new ATOM 0 HD2 HIS A 49 1.291 -4.880 3.486 1.00 63.44 H new ATOM 0 HE1 HIS A 49 3.520 -4.586 -0.095 1.00 31.13 H new ATOM 0 HE2 HIS A 49 1.158 -4.649 0.878 1.00 32.51 H new ATOM 721 N LYS A 50 3.559 -1.642 4.078 1.00 73.20 N ATOM 722 CA LYS A 50 2.555 -0.574 3.918 1.00 53.31 C ATOM 723 C LYS A 50 2.230 -0.341 2.403 1.00 64.10 C ATOM 724 O LYS A 50 3.132 -0.379 1.571 1.00 42.15 O ATOM 725 CB LYS A 50 3.059 0.740 4.601 1.00 31.20 C ATOM 726 CG LYS A 50 4.454 1.236 4.140 1.00 13.42 C ATOM 727 CD LYS A 50 4.749 2.715 4.508 1.00 65.53 C ATOM 728 CE LYS A 50 4.764 2.987 6.026 1.00 71.22 C ATOM 729 NZ LYS A 50 5.034 4.422 6.321 1.00 1.34 N ATOM 0 H LYS A 50 4.304 -1.606 3.382 1.00 73.20 H new ATOM 0 HA LYS A 50 1.631 -0.881 4.408 1.00 53.31 H new ATOM 0 HB2 LYS A 50 2.331 1.529 4.413 1.00 31.20 H new ATOM 0 HB3 LYS A 50 3.086 0.582 5.679 1.00 31.20 H new ATOM 0 HG2 LYS A 50 5.220 0.601 4.586 1.00 13.42 H new ATOM 0 HG3 LYS A 50 4.532 1.118 3.059 1.00 13.42 H new ATOM 0 HD2 LYS A 50 5.714 2.999 4.088 1.00 65.53 H new ATOM 0 HD3 LYS A 50 3.998 3.353 4.041 1.00 65.53 H new ATOM 0 HE2 LYS A 50 3.805 2.700 6.458 1.00 71.22 H new ATOM 0 HE3 LYS A 50 5.525 2.368 6.500 1.00 71.22 H new ATOM 0 HZ1 LYS A 50 5.037 4.570 7.350 1.00 1.34 H new ATOM 0 HZ2 LYS A 50 5.960 4.689 5.930 1.00 1.34 H new ATOM 0 HZ3 LYS A 50 4.293 5.011 5.889 1.00 1.34 H new ATOM 743 N TRP A 51 0.951 -0.119 2.004 1.00 53.12 N ATOM 744 CA TRP A 51 -0.249 -0.142 2.885 1.00 34.52 C ATOM 745 C TRP A 51 -1.233 -1.273 2.511 1.00 15.43 C ATOM 746 O TRP A 51 -1.348 -1.667 1.343 1.00 63.05 O ATOM 747 CB TRP A 51 -0.986 1.223 2.816 1.00 24.13 C ATOM 748 CG TRP A 51 -0.139 2.378 3.284 1.00 73.45 C ATOM 749 CD1 TRP A 51 0.575 3.251 2.513 1.00 34.50 C ATOM 750 CD2 TRP A 51 0.110 2.751 4.645 1.00 1.20 C ATOM 751 NE1 TRP A 51 1.237 4.143 3.313 1.00 52.14 N ATOM 752 CE2 TRP A 51 0.963 3.863 4.621 1.00 32.44 C ATOM 753 CE3 TRP A 51 -0.316 2.254 5.880 1.00 55.05 C ATOM 754 CZ2 TRP A 51 1.401 4.488 5.782 1.00 23.05 C ATOM 755 CZ3 TRP A 51 0.120 2.871 7.030 1.00 33.04 C ATOM 756 CH2 TRP A 51 0.972 3.980 6.975 1.00 52.12 C ATOM 0 H TRP A 51 0.718 0.087 1.033 1.00 53.12 H new ATOM 0 HA TRP A 51 0.104 -0.330 3.899 1.00 34.52 H new ATOM 0 HB2 TRP A 51 -1.303 1.406 1.789 1.00 24.13 H new ATOM 0 HB3 TRP A 51 -1.889 1.173 3.425 1.00 24.13 H new ATOM 0 HD1 TRP A 51 0.612 3.239 1.434 1.00 34.50 H new ATOM 0 HE1 TRP A 51 1.840 4.897 2.984 1.00 52.14 H new ATOM 0 HE3 TRP A 51 -0.976 1.401 5.931 1.00 55.05 H new ATOM 0 HZ2 TRP A 51 2.057 5.345 5.743 1.00 23.05 H new ATOM 0 HZ3 TRP A 51 -0.200 2.494 7.990 1.00 33.04 H new ATOM 0 HH2 TRP A 51 1.297 4.444 7.895 1.00 52.12 H new ATOM 767 N VAL A 52 -1.932 -1.767 3.544 1.00 23.13 N ATOM 768 CA VAL A 52 -3.067 -2.708 3.416 1.00 73.51 C ATOM 769 C VAL A 52 -4.282 -2.143 4.184 1.00 13.45 C ATOM 770 O VAL A 52 -4.151 -1.704 5.326 1.00 53.41 O ATOM 771 CB VAL A 52 -2.710 -4.162 3.923 1.00 4.34 C ATOM 772 CG1 VAL A 52 -1.705 -4.866 2.971 1.00 31.11 C ATOM 773 CG2 VAL A 52 -2.168 -4.141 5.377 1.00 25.23 C ATOM 0 H VAL A 52 -1.724 -1.522 4.512 1.00 23.13 H new ATOM 0 HA VAL A 52 -3.308 -2.804 2.357 1.00 73.51 H new ATOM 0 HB VAL A 52 -3.635 -4.738 3.919 1.00 4.34 H new ATOM 0 HG11 VAL A 52 -1.482 -5.863 3.350 1.00 31.11 H new ATOM 0 HG12 VAL A 52 -2.142 -4.946 1.975 1.00 31.11 H new ATOM 0 HG13 VAL A 52 -0.785 -4.284 2.918 1.00 31.11 H new ATOM 0 HG21 VAL A 52 -1.933 -5.158 5.692 1.00 25.23 H new ATOM 0 HG22 VAL A 52 -1.266 -3.530 5.420 1.00 25.23 H new ATOM 0 HG23 VAL A 52 -2.923 -3.721 6.041 1.00 25.23 H new ATOM 783 N ILE A 53 -5.469 -2.148 3.558 1.00 64.33 N ATOM 784 CA ILE A 53 -6.667 -1.467 4.128 1.00 11.30 C ATOM 785 C ILE A 53 -7.678 -2.469 4.740 1.00 11.12 C ATOM 786 O ILE A 53 -7.472 -3.687 4.695 1.00 74.20 O ATOM 787 CB ILE A 53 -7.384 -0.561 3.052 1.00 62.55 C ATOM 788 CG1 ILE A 53 -7.996 -1.422 1.890 1.00 33.02 C ATOM 789 CG2 ILE A 53 -6.410 0.515 2.504 1.00 41.31 C ATOM 790 CD1 ILE A 53 -8.820 -0.640 0.875 1.00 43.01 C ATOM 0 H ILE A 53 -5.636 -2.609 2.664 1.00 64.33 H new ATOM 0 HA ILE A 53 -6.302 -0.829 4.933 1.00 11.30 H new ATOM 0 HB ILE A 53 -8.211 -0.049 3.544 1.00 62.55 H new ATOM 0 HG12 ILE A 53 -7.184 -1.926 1.365 1.00 33.02 H new ATOM 0 HG13 ILE A 53 -8.625 -2.198 2.326 1.00 33.02 H new ATOM 0 HG21 ILE A 53 -6.924 1.128 1.764 1.00 41.31 H new ATOM 0 HG22 ILE A 53 -6.067 1.147 3.324 1.00 41.31 H new ATOM 0 HG23 ILE A 53 -5.553 0.027 2.039 1.00 41.31 H new ATOM 0 HD11 ILE A 53 -9.200 -1.320 0.113 1.00 43.01 H new ATOM 0 HD12 ILE A 53 -9.657 -0.158 1.380 1.00 43.01 H new ATOM 0 HD13 ILE A 53 -8.194 0.118 0.405 1.00 43.01 H new ATOM 802 N GLN A 54 -8.752 -1.919 5.348 1.00 44.24 N ATOM 803 CA GLN A 54 -9.925 -2.688 5.848 1.00 24.41 C ATOM 804 C GLN A 54 -10.444 -3.756 4.850 1.00 60.13 C ATOM 805 O GLN A 54 -10.570 -4.932 5.203 1.00 1.14 O ATOM 806 CB GLN A 54 -11.067 -1.694 6.207 1.00 61.11 C ATOM 807 CG GLN A 54 -10.839 -0.933 7.520 1.00 22.22 C ATOM 808 CD GLN A 54 -10.971 -1.838 8.745 1.00 64.04 C ATOM 809 OE1 GLN A 54 -10.132 -1.636 9.723 1.00 21.31 O flip ATOM 810 NE2 GLN A 54 -11.793 -2.750 8.786 1.00 14.32 N flip ATOM 0 H GLN A 54 -8.835 -0.915 5.510 1.00 44.24 H new ATOM 0 HA GLN A 54 -9.594 -3.238 6.729 1.00 24.41 H new ATOM 0 HB2 GLN A 54 -11.177 -0.974 5.396 1.00 61.11 H new ATOM 0 HB3 GLN A 54 -12.006 -2.244 6.275 1.00 61.11 H new ATOM 0 HG2 GLN A 54 -9.846 -0.483 7.509 1.00 22.22 H new ATOM 0 HG3 GLN A 54 -11.558 -0.117 7.594 1.00 22.22 H new ATOM 0 HE21 GLN A 54 -12.439 -2.889 8.009 1.00 14.32 H new ATOM 0 HE22 GLN A 54 -11.829 -3.368 9.597 1.00 14.32 H new ATOM 819 N GLU A 55 -10.712 -3.339 3.604 1.00 31.54 N ATOM 820 CA GLU A 55 -11.289 -4.216 2.548 1.00 55.31 C ATOM 821 C GLU A 55 -10.269 -5.296 2.063 1.00 74.52 C ATOM 822 O GLU A 55 -10.638 -6.312 1.463 1.00 52.42 O ATOM 823 CB GLU A 55 -11.741 -3.301 1.373 1.00 20.12 C ATOM 824 CG GLU A 55 -12.425 -4.009 0.185 1.00 71.43 C ATOM 825 CD GLU A 55 -12.799 -3.046 -0.959 1.00 35.03 C ATOM 826 OE1 GLU A 55 -11.876 -2.536 -1.637 1.00 1.32 O ATOM 827 OE2 GLU A 55 -14.007 -2.787 -1.180 1.00 71.24 O ATOM 0 H GLU A 55 -10.538 -2.384 3.289 1.00 31.54 H new ATOM 0 HA GLU A 55 -12.139 -4.767 2.952 1.00 55.31 H new ATOM 0 HB2 GLU A 55 -12.427 -2.551 1.767 1.00 20.12 H new ATOM 0 HB3 GLU A 55 -10.867 -2.768 0.998 1.00 20.12 H new ATOM 0 HG2 GLU A 55 -11.760 -4.782 -0.201 1.00 71.43 H new ATOM 0 HG3 GLU A 55 -13.326 -4.511 0.539 1.00 71.43 H new ATOM 834 N GLU A 56 -8.985 -5.073 2.386 1.00 15.14 N ATOM 835 CA GLU A 56 -7.850 -5.907 1.929 1.00 62.00 C ATOM 836 C GLU A 56 -7.504 -7.020 2.970 1.00 40.44 C ATOM 837 O GLU A 56 -6.845 -8.018 2.643 1.00 23.34 O ATOM 838 CB GLU A 56 -6.653 -4.947 1.656 1.00 70.24 C ATOM 839 CG GLU A 56 -5.373 -5.580 1.051 1.00 43.45 C ATOM 840 CD GLU A 56 -4.640 -4.640 0.066 1.00 53.42 C ATOM 841 OE1 GLU A 56 -4.321 -3.494 0.442 1.00 53.13 O ATOM 842 OE2 GLU A 56 -4.400 -5.034 -1.098 1.00 20.04 O ATOM 0 H GLU A 56 -8.696 -4.297 2.981 1.00 15.14 H new ATOM 0 HA GLU A 56 -8.105 -6.441 1.014 1.00 62.00 H new ATOM 0 HB2 GLU A 56 -6.995 -4.161 0.982 1.00 70.24 H new ATOM 0 HB3 GLU A 56 -6.382 -4.466 2.596 1.00 70.24 H new ATOM 0 HG2 GLU A 56 -4.693 -5.853 1.858 1.00 43.45 H new ATOM 0 HG3 GLU A 56 -5.640 -6.502 0.534 1.00 43.45 H new ATOM 849 N ILE A 57 -7.998 -6.851 4.221 1.00 30.44 N ATOM 850 CA ILE A 57 -7.781 -7.805 5.342 1.00 60.15 C ATOM 851 C ILE A 57 -9.113 -8.509 5.736 1.00 63.43 C ATOM 852 O ILE A 57 -10.104 -7.835 6.010 1.00 32.33 O ATOM 853 CB ILE A 57 -7.192 -7.059 6.608 1.00 5.03 C ATOM 854 CG1 ILE A 57 -5.828 -6.363 6.265 1.00 22.54 C ATOM 855 CG2 ILE A 57 -7.042 -8.023 7.817 1.00 1.30 C ATOM 856 CD1 ILE A 57 -5.209 -5.563 7.404 1.00 74.15 C ATOM 0 H ILE A 57 -8.563 -6.044 4.485 1.00 30.44 H new ATOM 0 HA ILE A 57 -7.067 -8.555 5.002 1.00 60.15 H new ATOM 0 HB ILE A 57 -7.902 -6.284 6.895 1.00 5.03 H new ATOM 0 HG12 ILE A 57 -5.117 -7.127 5.949 1.00 22.54 H new ATOM 0 HG13 ILE A 57 -5.980 -5.698 5.415 1.00 22.54 H new ATOM 0 HG21 ILE A 57 -6.635 -7.478 8.669 1.00 1.30 H new ATOM 0 HG22 ILE A 57 -8.018 -8.431 8.080 1.00 1.30 H new ATOM 0 HG23 ILE A 57 -6.368 -8.837 7.552 1.00 1.30 H new ATOM 0 HD11 ILE A 57 -4.270 -5.121 7.070 1.00 74.15 H new ATOM 0 HD12 ILE A 57 -5.895 -4.772 7.708 1.00 74.15 H new ATOM 0 HD13 ILE A 57 -5.018 -6.223 8.250 1.00 74.15 H new ATOM 868 N LYS A 58 -9.108 -9.860 5.783 1.00 61.20 N ATOM 869 CA LYS A 58 -10.280 -10.677 6.210 1.00 32.05 C ATOM 870 C LYS A 58 -10.689 -10.386 7.675 1.00 20.31 C ATOM 871 O LYS A 58 -11.837 -10.017 7.960 1.00 41.55 O ATOM 872 CB LYS A 58 -9.958 -12.195 6.051 1.00 71.15 C ATOM 873 CG LYS A 58 -11.127 -13.152 6.402 1.00 62.14 C ATOM 874 CD LYS A 58 -10.805 -14.645 6.126 1.00 3.20 C ATOM 875 CE LYS A 58 -10.592 -14.958 4.628 1.00 3.14 C ATOM 876 NZ LYS A 58 -11.803 -14.673 3.808 1.00 32.11 N ATOM 0 H LYS A 58 -8.295 -10.420 5.527 1.00 61.20 H new ATOM 0 HA LYS A 58 -11.118 -10.404 5.568 1.00 32.05 H new ATOM 0 HB2 LYS A 58 -9.653 -12.381 5.021 1.00 71.15 H new ATOM 0 HB3 LYS A 58 -9.106 -12.439 6.685 1.00 71.15 H new ATOM 0 HG2 LYS A 58 -11.382 -13.032 7.455 1.00 62.14 H new ATOM 0 HG3 LYS A 58 -12.007 -12.865 5.826 1.00 62.14 H new ATOM 0 HD2 LYS A 58 -9.908 -14.924 6.679 1.00 3.20 H new ATOM 0 HD3 LYS A 58 -11.619 -15.261 6.507 1.00 3.20 H new ATOM 0 HE2 LYS A 58 -9.756 -14.368 4.252 1.00 3.14 H new ATOM 0 HE3 LYS A 58 -10.319 -16.007 4.515 1.00 3.14 H new ATOM 0 HZ1 LYS A 58 -11.894 -15.392 3.062 1.00 32.11 H new ATOM 0 HZ2 LYS A 58 -12.647 -14.695 4.416 1.00 32.11 H new ATOM 0 HZ3 LYS A 58 -11.714 -13.732 3.373 1.00 32.11 H new ATOM 890 N ASP A 59 -9.717 -10.553 8.593 1.00 63.22 N ATOM 891 CA ASP A 59 -9.936 -10.425 10.054 1.00 73.53 C ATOM 892 C ASP A 59 -10.370 -8.998 10.497 1.00 53.01 C ATOM 893 O ASP A 59 -10.905 -8.847 11.599 1.00 13.10 O ATOM 894 CB ASP A 59 -8.651 -10.860 10.794 1.00 74.22 C ATOM 895 CG ASP A 59 -8.795 -10.923 12.336 1.00 32.43 C ATOM 896 OD1 ASP A 59 -9.273 -11.954 12.855 1.00 72.10 O ATOM 897 OD2 ASP A 59 -8.444 -9.939 13.029 1.00 61.45 O ATOM 0 H ASP A 59 -8.754 -10.781 8.345 1.00 63.22 H new ATOM 0 HA ASP A 59 -10.768 -11.078 10.317 1.00 73.53 H new ATOM 0 HB2 ASP A 59 -8.349 -11.842 10.428 1.00 74.22 H new ATOM 0 HB3 ASP A 59 -7.849 -10.166 10.543 1.00 74.22 H new ATOM 902 N ALA A 60 -10.152 -7.979 9.623 1.00 25.51 N ATOM 903 CA ALA A 60 -10.443 -6.543 9.903 1.00 60.35 C ATOM 904 C ALA A 60 -11.736 -6.287 10.716 1.00 42.43 C ATOM 905 O ALA A 60 -11.729 -5.486 11.651 1.00 53.01 O ATOM 906 CB ALA A 60 -10.462 -5.758 8.584 1.00 12.42 C ATOM 0 H ALA A 60 -9.764 -8.132 8.692 1.00 25.51 H new ATOM 0 HA ALA A 60 -9.638 -6.190 10.547 1.00 60.35 H new ATOM 0 HB1 ALA A 60 -10.675 -4.709 8.788 1.00 12.42 H new ATOM 0 HB2 ALA A 60 -9.491 -5.843 8.096 1.00 12.42 H new ATOM 0 HB3 ALA A 60 -11.234 -6.164 7.930 1.00 12.42 H new ATOM 912 N GLY A 61 -12.843 -6.940 10.317 1.00 20.23 N ATOM 913 CA GLY A 61 -14.069 -6.990 11.141 1.00 74.24 C ATOM 914 C GLY A 61 -14.780 -5.643 11.322 1.00 3.51 C ATOM 915 O GLY A 61 -15.579 -5.489 12.257 1.00 74.22 O ATOM 0 H GLY A 61 -12.916 -7.440 9.431 1.00 20.23 H new ATOM 0 HA2 GLY A 61 -14.766 -7.694 10.687 1.00 74.24 H new ATOM 0 HA3 GLY A 61 -13.813 -7.384 12.124 1.00 74.24 H new ATOM 919 N ASP A 62 -14.452 -4.673 10.436 1.00 73.20 N ATOM 920 CA ASP A 62 -14.956 -3.277 10.478 1.00 2.02 C ATOM 921 C ASP A 62 -14.499 -2.507 11.764 1.00 21.32 C ATOM 922 O ASP A 62 -15.053 -1.454 12.093 1.00 15.13 O ATOM 923 CB ASP A 62 -16.504 -3.237 10.293 1.00 12.03 C ATOM 924 CG ASP A 62 -16.960 -3.903 8.981 1.00 23.34 C ATOM 925 OD1 ASP A 62 -16.994 -3.228 7.931 1.00 21.53 O ATOM 926 OD2 ASP A 62 -17.274 -5.113 8.986 1.00 32.31 O ATOM 0 H ASP A 62 -13.817 -4.841 9.656 1.00 73.20 H new ATOM 0 HA ASP A 62 -14.505 -2.749 9.638 1.00 2.02 H new ATOM 0 HB2 ASP A 62 -16.980 -3.738 11.136 1.00 12.03 H new ATOM 0 HB3 ASP A 62 -16.841 -2.201 10.307 1.00 12.03 H new ATOM 931 N LYS A 63 -13.452 -3.024 12.452 1.00 33.22 N ATOM 932 CA LYS A 63 -12.857 -2.386 13.665 1.00 42.42 C ATOM 933 C LYS A 63 -11.426 -1.876 13.362 1.00 23.21 C ATOM 934 O LYS A 63 -10.863 -2.185 12.313 1.00 64.01 O ATOM 935 CB LYS A 63 -12.807 -3.397 14.854 1.00 34.32 C ATOM 936 CG LYS A 63 -11.775 -4.539 14.691 1.00 11.40 C ATOM 937 CD LYS A 63 -11.683 -5.501 15.906 1.00 11.53 C ATOM 938 CE LYS A 63 -12.874 -6.472 16.036 1.00 2.51 C ATOM 939 NZ LYS A 63 -14.126 -5.810 16.489 1.00 72.44 N ATOM 0 H LYS A 63 -12.992 -3.895 12.186 1.00 33.22 H new ATOM 0 HA LYS A 63 -13.488 -1.542 13.944 1.00 42.42 H new ATOM 0 HB2 LYS A 63 -12.581 -2.850 15.769 1.00 34.32 H new ATOM 0 HB3 LYS A 63 -13.797 -3.836 14.982 1.00 34.32 H new ATOM 0 HG2 LYS A 63 -12.030 -5.118 13.803 1.00 11.40 H new ATOM 0 HG3 LYS A 63 -10.792 -4.101 14.515 1.00 11.40 H new ATOM 0 HD2 LYS A 63 -10.763 -6.081 15.827 1.00 11.53 H new ATOM 0 HD3 LYS A 63 -11.610 -4.909 16.819 1.00 11.53 H new ATOM 0 HE2 LYS A 63 -13.052 -6.949 15.072 1.00 2.51 H new ATOM 0 HE3 LYS A 63 -12.614 -7.263 16.740 1.00 2.51 H new ATOM 0 HZ1 LYS A 63 -14.620 -6.427 17.165 1.00 72.44 H new ATOM 0 HZ2 LYS A 63 -13.894 -4.907 16.950 1.00 72.44 H new ATOM 0 HZ3 LYS A 63 -14.741 -5.632 15.669 1.00 72.44 H new ATOM 953 N THR A 64 -10.818 -1.122 14.298 1.00 22.01 N ATOM 954 CA THR A 64 -9.402 -0.705 14.180 1.00 35.22 C ATOM 955 C THR A 64 -8.497 -1.772 14.844 1.00 33.11 C ATOM 956 O THR A 64 -8.542 -1.966 16.064 1.00 71.23 O ATOM 957 CB THR A 64 -9.135 0.709 14.808 1.00 15.23 C ATOM 958 OG1 THR A 64 -10.009 1.675 14.200 1.00 61.34 O ATOM 959 CG2 THR A 64 -7.675 1.171 14.612 1.00 30.30 C ATOM 0 H THR A 64 -11.282 -0.788 15.143 1.00 22.01 H new ATOM 0 HA THR A 64 -9.166 -0.623 13.119 1.00 35.22 H new ATOM 0 HB THR A 64 -9.324 0.629 15.879 1.00 15.23 H new ATOM 0 HG1 THR A 64 -9.961 2.518 14.697 1.00 61.34 H new ATOM 0 HG21 THR A 64 -7.541 2.154 15.064 1.00 30.30 H new ATOM 0 HG22 THR A 64 -7.001 0.458 15.087 1.00 30.30 H new ATOM 0 HG23 THR A 64 -7.451 1.227 13.547 1.00 30.30 H new ATOM 967 N LEU A 65 -7.697 -2.468 14.019 1.00 22.12 N ATOM 968 CA LEU A 65 -6.817 -3.572 14.468 1.00 13.13 C ATOM 969 C LEU A 65 -5.587 -3.015 15.226 1.00 4.31 C ATOM 970 O LEU A 65 -4.913 -2.106 14.744 1.00 73.02 O ATOM 971 CB LEU A 65 -6.389 -4.403 13.236 1.00 23.31 C ATOM 972 CG LEU A 65 -7.567 -5.044 12.426 1.00 13.31 C ATOM 973 CD1 LEU A 65 -7.090 -5.569 11.057 1.00 32.51 C ATOM 974 CD2 LEU A 65 -8.268 -6.163 13.242 1.00 23.32 C ATOM 0 H LEU A 65 -7.639 -2.284 13.017 1.00 22.12 H new ATOM 0 HA LEU A 65 -7.359 -4.216 15.161 1.00 13.13 H new ATOM 0 HB2 LEU A 65 -5.814 -3.763 12.567 1.00 23.31 H new ATOM 0 HB3 LEU A 65 -5.721 -5.198 13.567 1.00 23.31 H new ATOM 0 HG LEU A 65 -8.300 -4.259 12.240 1.00 13.31 H new ATOM 0 HD11 LEU A 65 -7.932 -6.007 10.522 1.00 32.51 H new ATOM 0 HD12 LEU A 65 -6.679 -4.745 10.474 1.00 32.51 H new ATOM 0 HD13 LEU A 65 -6.321 -6.327 11.206 1.00 32.51 H new ATOM 0 HD21 LEU A 65 -9.081 -6.588 12.653 1.00 23.32 H new ATOM 0 HD22 LEU A 65 -7.547 -6.944 13.482 1.00 23.32 H new ATOM 0 HD23 LEU A 65 -8.669 -5.744 14.165 1.00 23.32 H new ATOM 986 N GLN A 66 -5.316 -3.571 16.415 1.00 11.05 N ATOM 987 CA GLN A 66 -4.289 -3.051 17.350 1.00 74.41 C ATOM 988 C GLN A 66 -2.976 -3.878 17.262 1.00 21.22 C ATOM 989 O GLN A 66 -3.017 -5.053 16.880 1.00 75.24 O ATOM 990 CB GLN A 66 -4.857 -3.075 18.801 1.00 72.42 C ATOM 991 CG GLN A 66 -6.157 -2.268 19.003 1.00 15.22 C ATOM 992 CD GLN A 66 -6.019 -0.787 18.642 1.00 73.35 C ATOM 993 OE1 GLN A 66 -5.650 0.036 19.469 1.00 53.35 O ATOM 994 NE2 GLN A 66 -6.323 -0.434 17.406 1.00 2.02 N ATOM 0 H GLN A 66 -5.801 -4.398 16.764 1.00 11.05 H new ATOM 0 HA GLN A 66 -4.047 -2.025 17.071 1.00 74.41 H new ATOM 0 HB2 GLN A 66 -5.041 -4.111 19.086 1.00 72.42 H new ATOM 0 HB3 GLN A 66 -4.097 -2.688 19.480 1.00 72.42 H new ATOM 0 HG2 GLN A 66 -6.947 -2.710 18.396 1.00 15.22 H new ATOM 0 HG3 GLN A 66 -6.470 -2.352 20.044 1.00 15.22 H new ATOM 0 HE21 GLN A 66 -6.628 -1.139 16.735 1.00 2.02 H new ATOM 0 HE22 GLN A 66 -6.252 0.543 17.123 1.00 2.02 H new ATOM 1003 N PRO A 67 -1.784 -3.264 17.584 1.00 10.15 N ATOM 1004 CA PRO A 67 -0.478 -3.983 17.595 1.00 24.54 C ATOM 1005 C PRO A 67 -0.475 -5.260 18.484 1.00 44.33 C ATOM 1006 O PRO A 67 -0.583 -5.178 19.710 1.00 4.22 O ATOM 1007 CB PRO A 67 0.517 -2.915 18.123 1.00 14.05 C ATOM 1008 CG PRO A 67 -0.118 -1.611 17.749 1.00 44.51 C ATOM 1009 CD PRO A 67 -1.605 -1.822 17.907 1.00 2.01 C ATOM 0 HA PRO A 67 -0.223 -4.365 16.607 1.00 24.54 H new ATOM 0 HB2 PRO A 67 0.655 -2.997 19.201 1.00 14.05 H new ATOM 0 HB3 PRO A 67 1.500 -3.025 17.666 1.00 14.05 H new ATOM 0 HG2 PRO A 67 0.234 -0.805 18.393 1.00 44.51 H new ATOM 0 HG3 PRO A 67 0.132 -1.333 16.725 1.00 44.51 H new ATOM 0 HD2 PRO A 67 -1.938 -1.592 18.919 1.00 2.01 H new ATOM 0 HD3 PRO A 67 -2.175 -1.185 17.231 1.00 2.01 H new ATOM 1017 N GLY A 68 -0.320 -6.426 17.834 1.00 42.11 N ATOM 1018 CA GLY A 68 -0.410 -7.743 18.505 1.00 33.43 C ATOM 1019 C GLY A 68 -1.578 -8.616 18.021 1.00 14.13 C ATOM 1020 O GLY A 68 -1.662 -9.797 18.387 1.00 4.14 O ATOM 0 H GLY A 68 -0.130 -6.487 16.834 1.00 42.11 H new ATOM 0 HA2 GLY A 68 0.523 -8.284 18.347 1.00 33.43 H new ATOM 0 HA3 GLY A 68 -0.509 -7.585 19.579 1.00 33.43 H new ATOM 1024 N ASP A 69 -2.501 -8.040 17.226 1.00 12.32 N ATOM 1025 CA ASP A 69 -3.593 -8.812 16.581 1.00 62.20 C ATOM 1026 C ASP A 69 -3.104 -9.602 15.345 1.00 32.22 C ATOM 1027 O ASP A 69 -2.409 -9.066 14.474 1.00 74.31 O ATOM 1028 CB ASP A 69 -4.782 -7.889 16.209 1.00 14.02 C ATOM 1029 CG ASP A 69 -5.594 -7.471 17.444 1.00 42.24 C ATOM 1030 OD1 ASP A 69 -6.145 -8.363 18.128 1.00 2.34 O ATOM 1031 OD2 ASP A 69 -5.677 -6.268 17.753 1.00 0.44 O ATOM 0 H ASP A 69 -2.516 -7.043 17.012 1.00 12.32 H new ATOM 0 HA ASP A 69 -3.938 -9.543 17.313 1.00 62.20 H new ATOM 0 HB2 ASP A 69 -4.406 -6.999 15.704 1.00 14.02 H new ATOM 0 HB3 ASP A 69 -5.434 -8.404 15.504 1.00 14.02 H new ATOM 1036 N GLN A 70 -3.512 -10.879 15.285 1.00 33.44 N ATOM 1037 CA GLN A 70 -3.133 -11.807 14.204 1.00 23.51 C ATOM 1038 C GLN A 70 -4.278 -11.873 13.166 1.00 30.55 C ATOM 1039 O GLN A 70 -5.401 -12.265 13.502 1.00 45.14 O ATOM 1040 CB GLN A 70 -2.871 -13.216 14.814 1.00 4.04 C ATOM 1041 CG GLN A 70 -2.077 -14.178 13.915 1.00 43.21 C ATOM 1042 CD GLN A 70 -0.590 -13.814 13.816 1.00 0.54 C ATOM 1043 OE1 GLN A 70 0.226 -14.292 14.595 1.00 32.31 O ATOM 1044 NE2 GLN A 70 -0.229 -12.960 12.876 1.00 25.44 N ATOM 0 H GLN A 70 -4.118 -11.301 15.989 1.00 33.44 H new ATOM 0 HA GLN A 70 -2.227 -11.460 13.708 1.00 23.51 H new ATOM 0 HB2 GLN A 70 -2.333 -13.094 15.754 1.00 4.04 H new ATOM 0 HB3 GLN A 70 -3.830 -13.675 15.054 1.00 4.04 H new ATOM 0 HG2 GLN A 70 -2.172 -15.192 14.303 1.00 43.21 H new ATOM 0 HG3 GLN A 70 -2.513 -14.177 12.916 1.00 43.21 H new ATOM 0 HE21 GLN A 70 -0.928 -12.576 12.240 1.00 25.44 H new ATOM 0 HE22 GLN A 70 0.749 -12.684 12.786 1.00 25.44 H new ATOM 1053 N VAL A 71 -3.986 -11.512 11.905 1.00 22.54 N ATOM 1054 CA VAL A 71 -5.010 -11.340 10.841 1.00 13.11 C ATOM 1055 C VAL A 71 -4.711 -12.208 9.587 1.00 44.11 C ATOM 1056 O VAL A 71 -3.641 -12.807 9.478 1.00 60.43 O ATOM 1057 CB VAL A 71 -5.131 -9.815 10.425 1.00 65.14 C ATOM 1058 CG1 VAL A 71 -5.446 -8.919 11.649 1.00 22.23 C ATOM 1059 CG2 VAL A 71 -3.871 -9.302 9.676 1.00 25.01 C ATOM 0 H VAL A 71 -3.034 -11.329 11.587 1.00 22.54 H new ATOM 0 HA VAL A 71 -5.958 -11.679 11.258 1.00 13.11 H new ATOM 0 HB VAL A 71 -5.967 -9.750 9.729 1.00 65.14 H new ATOM 0 HG11 VAL A 71 -5.522 -7.880 11.329 1.00 22.23 H new ATOM 0 HG12 VAL A 71 -6.390 -9.232 12.095 1.00 22.23 H new ATOM 0 HG13 VAL A 71 -4.648 -9.014 12.385 1.00 22.23 H new ATOM 0 HG21 VAL A 71 -4.006 -8.253 9.414 1.00 25.01 H new ATOM 0 HG22 VAL A 71 -2.998 -9.406 10.320 1.00 25.01 H new ATOM 0 HG23 VAL A 71 -3.724 -9.887 8.768 1.00 25.01 H new ATOM 1069 N ILE A 72 -5.692 -12.278 8.657 1.00 75.41 N ATOM 1070 CA ILE A 72 -5.542 -12.961 7.335 1.00 72.50 C ATOM 1071 C ILE A 72 -5.702 -11.927 6.182 1.00 71.15 C ATOM 1072 O ILE A 72 -6.536 -11.025 6.272 1.00 73.15 O ATOM 1073 CB ILE A 72 -6.614 -14.118 7.162 1.00 41.11 C ATOM 1074 CG1 ILE A 72 -6.531 -15.151 8.337 1.00 22.12 C ATOM 1075 CG2 ILE A 72 -6.489 -14.832 5.785 1.00 55.02 C ATOM 1076 CD1 ILE A 72 -5.199 -15.884 8.474 1.00 55.42 C ATOM 0 H ILE A 72 -6.614 -11.864 8.795 1.00 75.41 H new ATOM 0 HA ILE A 72 -4.547 -13.404 7.296 1.00 72.50 H new ATOM 0 HB ILE A 72 -7.596 -13.646 7.193 1.00 41.11 H new ATOM 0 HG12 ILE A 72 -6.737 -14.629 9.272 1.00 22.12 H new ATOM 0 HG13 ILE A 72 -7.321 -15.890 8.204 1.00 22.12 H new ATOM 0 HG21 ILE A 72 -7.243 -15.616 5.712 1.00 55.02 H new ATOM 0 HG22 ILE A 72 -6.640 -14.108 4.985 1.00 55.02 H new ATOM 0 HG23 ILE A 72 -5.497 -15.273 5.693 1.00 55.02 H new ATOM 0 HD11 ILE A 72 -5.248 -16.574 9.316 1.00 55.42 H new ATOM 0 HD12 ILE A 72 -4.995 -16.441 7.560 1.00 55.42 H new ATOM 0 HD13 ILE A 72 -4.401 -15.161 8.644 1.00 55.42 H new ATOM 1088 N LEU A 73 -4.889 -12.063 5.110 1.00 25.33 N ATOM 1089 CA LEU A 73 -4.962 -11.190 3.905 1.00 31.22 C ATOM 1090 C LEU A 73 -5.813 -11.846 2.781 1.00 51.13 C ATOM 1091 O LEU A 73 -5.538 -12.979 2.371 1.00 64.52 O ATOM 1092 CB LEU A 73 -3.524 -10.892 3.389 1.00 32.41 C ATOM 1093 CG LEU A 73 -2.564 -10.196 4.409 1.00 51.43 C ATOM 1094 CD1 LEU A 73 -1.144 -10.031 3.819 1.00 22.54 C ATOM 1095 CD2 LEU A 73 -3.136 -8.836 4.887 1.00 62.23 C ATOM 0 H LEU A 73 -4.164 -12.778 5.051 1.00 25.33 H new ATOM 0 HA LEU A 73 -5.449 -10.256 4.186 1.00 31.22 H new ATOM 0 HB2 LEU A 73 -3.070 -11.831 3.074 1.00 32.41 H new ATOM 0 HB3 LEU A 73 -3.600 -10.262 2.503 1.00 32.41 H new ATOM 0 HG LEU A 73 -2.487 -10.844 5.282 1.00 51.43 H new ATOM 0 HD11 LEU A 73 -0.500 -9.544 4.551 1.00 22.54 H new ATOM 0 HD12 LEU A 73 -0.736 -11.011 3.572 1.00 22.54 H new ATOM 0 HD13 LEU A 73 -1.193 -9.421 2.917 1.00 22.54 H new ATOM 0 HD21 LEU A 73 -2.444 -8.379 5.595 1.00 62.23 H new ATOM 0 HD22 LEU A 73 -3.268 -8.175 4.030 1.00 62.23 H new ATOM 0 HD23 LEU A 73 -4.099 -8.997 5.373 1.00 62.23 H new ATOM 1107 N GLU A 74 -6.859 -11.128 2.307 1.00 44.21 N ATOM 1108 CA GLU A 74 -7.717 -11.593 1.180 1.00 4.30 C ATOM 1109 C GLU A 74 -7.135 -11.210 -0.196 1.00 32.31 C ATOM 1110 O GLU A 74 -7.271 -11.966 -1.161 1.00 31.12 O ATOM 1111 CB GLU A 74 -9.168 -11.055 1.316 1.00 33.25 C ATOM 1112 CG GLU A 74 -9.908 -11.601 2.543 1.00 74.44 C ATOM 1113 CD GLU A 74 -11.402 -11.231 2.590 1.00 53.03 C ATOM 1114 OE1 GLU A 74 -11.730 -10.089 2.971 1.00 3.22 O ATOM 1115 OE2 GLU A 74 -12.252 -12.094 2.266 1.00 52.00 O ATOM 0 H GLU A 74 -7.133 -10.222 2.686 1.00 44.21 H new ATOM 0 HA GLU A 74 -7.740 -12.681 1.238 1.00 4.30 H new ATOM 0 HB2 GLU A 74 -9.140 -9.967 1.372 1.00 33.25 H new ATOM 0 HB3 GLU A 74 -9.729 -11.313 0.418 1.00 33.25 H new ATOM 0 HG2 GLU A 74 -9.813 -12.687 2.559 1.00 74.44 H new ATOM 0 HG3 GLU A 74 -9.423 -11.225 3.444 1.00 74.44 H new ATOM 1122 N ALA A 75 -6.514 -10.023 -0.287 1.00 21.31 N ATOM 1123 CA ALA A 75 -5.829 -9.572 -1.520 1.00 53.20 C ATOM 1124 C ALA A 75 -4.369 -10.073 -1.566 1.00 3.20 C ATOM 1125 O ALA A 75 -3.837 -10.589 -0.570 1.00 61.41 O ATOM 1126 CB ALA A 75 -5.873 -8.041 -1.618 1.00 21.03 C ATOM 0 H ALA A 75 -6.470 -9.352 0.480 1.00 21.31 H new ATOM 0 HA ALA A 75 -6.354 -9.998 -2.375 1.00 53.20 H new ATOM 0 HB1 ALA A 75 -5.367 -7.720 -2.528 1.00 21.03 H new ATOM 0 HB2 ALA A 75 -6.910 -7.708 -1.643 1.00 21.03 H new ATOM 0 HB3 ALA A 75 -5.373 -7.606 -0.752 1.00 21.03 H new ATOM 1132 N SER A 76 -3.720 -9.911 -2.732 1.00 64.11 N ATOM 1133 CA SER A 76 -2.308 -10.301 -2.914 1.00 4.22 C ATOM 1134 C SER A 76 -1.567 -9.297 -3.815 1.00 70.44 C ATOM 1135 O SER A 76 -2.005 -9.015 -4.934 1.00 33.41 O ATOM 1136 CB SER A 76 -2.225 -11.708 -3.549 1.00 21.15 C ATOM 1137 OG SER A 76 -0.922 -12.249 -3.458 1.00 63.10 O ATOM 0 H SER A 76 -4.151 -9.512 -3.566 1.00 64.11 H new ATOM 0 HA SER A 76 -1.834 -10.308 -1.932 1.00 4.22 H new ATOM 0 HB2 SER A 76 -2.930 -12.374 -3.051 1.00 21.15 H new ATOM 0 HB3 SER A 76 -2.523 -11.652 -4.596 1.00 21.15 H new ATOM 0 HG SER A 76 -0.302 -11.698 -3.979 1.00 63.10 H new ATOM 1143 N HIS A 77 -0.440 -8.765 -3.316 1.00 54.04 N ATOM 1144 CA HIS A 77 0.508 -7.961 -4.115 1.00 1.32 C ATOM 1145 C HIS A 77 1.668 -8.838 -4.649 1.00 74.00 C ATOM 1146 O HIS A 77 2.263 -8.529 -5.685 1.00 11.21 O ATOM 1147 CB HIS A 77 1.098 -6.807 -3.247 1.00 64.30 C ATOM 1148 CG HIS A 77 0.092 -5.779 -2.760 1.00 22.13 C ATOM 1149 ND1 HIS A 77 0.272 -4.434 -3.000 1.00 31.40 N ATOM 1150 CD2 HIS A 77 -1.040 -5.937 -2.017 1.00 71.42 C ATOM 1151 CE1 HIS A 77 -0.731 -3.816 -2.403 1.00 24.22 C ATOM 1152 NE2 HIS A 77 -1.546 -4.684 -1.798 1.00 35.31 N ATOM 0 H HIS A 77 -0.156 -8.879 -2.343 1.00 54.04 H new ATOM 0 HA HIS A 77 -0.038 -7.544 -4.961 1.00 1.32 H new ATOM 0 HB2 HIS A 77 1.594 -7.244 -2.380 1.00 64.30 H new ATOM 0 HB3 HIS A 77 1.864 -6.294 -3.828 1.00 64.30 H new ATOM 0 HD2 HIS A 77 -1.457 -6.870 -1.669 1.00 71.42 H new ATOM 0 HE1 HIS A 77 -0.874 -2.745 -2.404 1.00 24.22 H new ATOM 0 HE2 HIS A 77 -2.389 -4.456 -1.271 1.00 35.31 H new ATOM 1160 N MET A 78 1.993 -9.923 -3.908 1.00 54.32 N ATOM 1161 CA MET A 78 3.205 -10.756 -4.150 1.00 74.51 C ATOM 1162 C MET A 78 2.877 -12.275 -4.128 1.00 21.04 C ATOM 1163 O MET A 78 1.741 -12.673 -3.856 1.00 40.15 O ATOM 1164 CB MET A 78 4.276 -10.423 -3.070 1.00 54.43 C ATOM 1165 CG MET A 78 4.720 -8.950 -3.039 1.00 12.54 C ATOM 1166 SD MET A 78 5.833 -8.581 -1.672 1.00 52.42 S ATOM 1167 CE MET A 78 4.745 -8.883 -0.284 1.00 60.31 C ATOM 0 H MET A 78 1.426 -10.249 -3.125 1.00 54.32 H new ATOM 0 HA MET A 78 3.589 -10.522 -5.143 1.00 74.51 H new ATOM 0 HB2 MET A 78 3.880 -10.690 -2.090 1.00 54.43 H new ATOM 0 HB3 MET A 78 5.152 -11.049 -3.241 1.00 54.43 H new ATOM 0 HG2 MET A 78 5.214 -8.705 -3.979 1.00 12.54 H new ATOM 0 HG3 MET A 78 3.839 -8.312 -2.966 1.00 12.54 H new ATOM 0 HE1 MET A 78 4.937 -8.146 0.496 1.00 60.31 H new ATOM 0 HE2 MET A 78 3.708 -8.804 -0.611 1.00 60.31 H new ATOM 0 HE3 MET A 78 4.926 -9.883 0.109 1.00 60.31 H new ATOM 1177 N LYS A 79 3.899 -13.117 -4.399 1.00 2.24 N ATOM 1178 CA LYS A 79 3.755 -14.596 -4.434 1.00 22.30 C ATOM 1179 C LYS A 79 3.471 -15.191 -3.018 1.00 32.24 C ATOM 1180 O LYS A 79 4.348 -15.236 -2.146 1.00 53.44 O ATOM 1181 CB LYS A 79 5.008 -15.255 -5.094 1.00 62.42 C ATOM 1182 CG LYS A 79 6.366 -14.903 -4.438 1.00 65.53 C ATOM 1183 CD LYS A 79 7.569 -15.563 -5.151 1.00 51.20 C ATOM 1184 CE LYS A 79 8.917 -15.207 -4.496 1.00 32.23 C ATOM 1185 NZ LYS A 79 10.065 -15.814 -5.220 1.00 22.01 N ATOM 0 H LYS A 79 4.846 -12.795 -4.600 1.00 2.24 H new ATOM 0 HA LYS A 79 2.886 -14.829 -5.049 1.00 22.30 H new ATOM 0 HB2 LYS A 79 4.883 -16.338 -5.071 1.00 62.42 H new ATOM 0 HB3 LYS A 79 5.043 -14.960 -6.143 1.00 62.42 H new ATOM 0 HG2 LYS A 79 6.496 -13.821 -4.443 1.00 65.53 H new ATOM 0 HG3 LYS A 79 6.352 -15.217 -3.394 1.00 65.53 H new ATOM 0 HD2 LYS A 79 7.441 -16.645 -5.144 1.00 51.20 H new ATOM 0 HD3 LYS A 79 7.583 -15.250 -6.195 1.00 51.20 H new ATOM 0 HE2 LYS A 79 9.034 -14.124 -4.474 1.00 32.23 H new ATOM 0 HE3 LYS A 79 8.919 -15.549 -3.461 1.00 32.23 H new ATOM 0 HZ1 LYS A 79 10.953 -15.550 -4.747 1.00 22.01 H new ATOM 0 HZ2 LYS A 79 9.967 -16.849 -5.220 1.00 22.01 H new ATOM 0 HZ3 LYS A 79 10.079 -15.468 -6.201 1.00 22.01 H new ATOM 1199 N GLY A 80 2.213 -15.611 -2.796 1.00 31.33 N ATOM 1200 CA GLY A 80 1.797 -16.232 -1.528 1.00 75.13 C ATOM 1201 C GLY A 80 1.307 -15.236 -0.468 1.00 43.21 C ATOM 1202 O GLY A 80 1.329 -15.542 0.723 1.00 15.31 O ATOM 0 H GLY A 80 1.464 -15.530 -3.483 1.00 31.33 H new ATOM 0 HA2 GLY A 80 1.001 -16.949 -1.732 1.00 75.13 H new ATOM 0 HA3 GLY A 80 2.636 -16.795 -1.120 1.00 75.13 H new ATOM 1206 N MET A 81 0.857 -14.045 -0.897 1.00 51.51 N ATOM 1207 CA MET A 81 0.333 -13.008 0.024 1.00 64.12 C ATOM 1208 C MET A 81 -1.176 -13.245 0.333 1.00 12.02 C ATOM 1209 O MET A 81 -1.626 -13.037 1.467 1.00 4.23 O ATOM 1210 CB MET A 81 0.593 -11.606 -0.584 1.00 65.20 C ATOM 1211 CG MET A 81 0.245 -10.421 0.320 1.00 32.13 C ATOM 1212 SD MET A 81 0.736 -8.852 -0.428 1.00 10.52 S ATOM 1213 CE MET A 81 0.252 -7.674 0.829 1.00 63.30 C ATOM 0 H MET A 81 0.843 -13.770 -1.879 1.00 51.51 H new ATOM 0 HA MET A 81 0.856 -13.070 0.978 1.00 64.12 H new ATOM 0 HB2 MET A 81 1.646 -11.537 -0.855 1.00 65.20 H new ATOM 0 HB3 MET A 81 0.020 -11.517 -1.507 1.00 65.20 H new ATOM 0 HG2 MET A 81 -0.827 -10.413 0.514 1.00 32.13 H new ATOM 0 HG3 MET A 81 0.743 -10.538 1.283 1.00 32.13 H new ATOM 0 HE1 MET A 81 0.639 -6.688 0.572 1.00 63.30 H new ATOM 0 HE2 MET A 81 -0.836 -7.633 0.889 1.00 63.30 H new ATOM 0 HE3 MET A 81 0.657 -7.983 1.792 1.00 63.30 H new ATOM 1223 N LYS A 82 -1.950 -13.670 -0.692 1.00 55.22 N ATOM 1224 CA LYS A 82 -3.353 -14.131 -0.512 1.00 21.14 C ATOM 1225 C LYS A 82 -3.400 -15.449 0.298 1.00 41.20 C ATOM 1226 O LYS A 82 -2.750 -16.437 -0.076 1.00 42.13 O ATOM 1227 CB LYS A 82 -4.042 -14.343 -1.887 1.00 3.40 C ATOM 1228 CG LYS A 82 -5.543 -14.711 -1.823 1.00 32.02 C ATOM 1229 CD LYS A 82 -6.154 -14.965 -3.222 1.00 52.32 C ATOM 1230 CE LYS A 82 -7.678 -15.189 -3.179 1.00 20.40 C ATOM 1231 NZ LYS A 82 -8.415 -13.984 -2.711 1.00 3.32 N ATOM 0 H LYS A 82 -1.627 -13.704 -1.659 1.00 55.22 H new ATOM 0 HA LYS A 82 -3.888 -13.357 0.039 1.00 21.14 H new ATOM 0 HB2 LYS A 82 -3.933 -13.431 -2.474 1.00 3.40 H new ATOM 0 HB3 LYS A 82 -3.514 -15.132 -2.422 1.00 3.40 H new ATOM 0 HG2 LYS A 82 -5.669 -15.602 -1.208 1.00 32.02 H new ATOM 0 HG3 LYS A 82 -6.090 -13.906 -1.332 1.00 32.02 H new ATOM 0 HD2 LYS A 82 -5.935 -14.115 -3.868 1.00 52.32 H new ATOM 0 HD3 LYS A 82 -5.676 -15.837 -3.669 1.00 52.32 H new ATOM 0 HE2 LYS A 82 -8.030 -15.464 -4.173 1.00 20.40 H new ATOM 0 HE3 LYS A 82 -7.901 -16.027 -2.519 1.00 20.40 H new ATOM 0 HZ1 LYS A 82 -9.052 -14.247 -1.932 1.00 3.32 H new ATOM 0 HZ2 LYS A 82 -7.737 -13.270 -2.377 1.00 3.32 H new ATOM 0 HZ3 LYS A 82 -8.972 -13.591 -3.496 1.00 3.32 H new ATOM 1245 N GLY A 83 -4.163 -15.452 1.401 1.00 4.14 N ATOM 1246 CA GLY A 83 -4.273 -16.629 2.274 1.00 61.41 C ATOM 1247 C GLY A 83 -3.158 -16.702 3.326 1.00 24.41 C ATOM 1248 O GLY A 83 -3.116 -17.646 4.123 1.00 20.52 O ATOM 0 H GLY A 83 -4.714 -14.651 1.710 1.00 4.14 H new ATOM 0 HA2 GLY A 83 -5.240 -16.612 2.778 1.00 61.41 H new ATOM 0 HA3 GLY A 83 -4.248 -17.531 1.663 1.00 61.41 H new ATOM 1252 N ALA A 84 -2.247 -15.704 3.321 1.00 53.15 N ATOM 1253 CA ALA A 84 -1.155 -15.602 4.309 1.00 4.33 C ATOM 1254 C ALA A 84 -1.635 -14.924 5.609 1.00 34.11 C ATOM 1255 O ALA A 84 -2.546 -14.083 5.596 1.00 75.11 O ATOM 1256 CB ALA A 84 0.037 -14.830 3.720 1.00 15.01 C ATOM 0 H ALA A 84 -2.249 -14.950 2.634 1.00 53.15 H new ATOM 0 HA ALA A 84 -0.835 -16.615 4.553 1.00 4.33 H new ATOM 0 HB1 ALA A 84 0.832 -14.765 4.463 1.00 15.01 H new ATOM 0 HB2 ALA A 84 0.407 -15.351 2.837 1.00 15.01 H new ATOM 0 HB3 ALA A 84 -0.282 -13.826 3.441 1.00 15.01 H new ATOM 1262 N THR A 85 -0.986 -15.291 6.719 1.00 25.13 N ATOM 1263 CA THR A 85 -1.276 -14.740 8.053 1.00 65.42 C ATOM 1264 C THR A 85 -0.365 -13.520 8.328 1.00 71.34 C ATOM 1265 O THR A 85 0.860 -13.659 8.381 1.00 73.22 O ATOM 1266 CB THR A 85 -1.063 -15.824 9.168 1.00 44.41 C ATOM 1267 OG1 THR A 85 -1.854 -16.988 8.874 1.00 75.54 O ATOM 1268 CG2 THR A 85 -1.438 -15.297 10.565 1.00 34.22 C ATOM 0 H THR A 85 -0.238 -15.984 6.720 1.00 25.13 H new ATOM 0 HA THR A 85 -2.320 -14.427 8.073 1.00 65.42 H new ATOM 0 HB THR A 85 -0.003 -16.079 9.176 1.00 44.41 H new ATOM 0 HG1 THR A 85 -1.716 -17.662 9.572 1.00 75.54 H new ATOM 0 HG21 THR A 85 -1.275 -16.080 11.305 1.00 34.22 H new ATOM 0 HG22 THR A 85 -0.817 -14.434 10.807 1.00 34.22 H new ATOM 0 HG23 THR A 85 -2.488 -15.003 10.573 1.00 34.22 H new ATOM 1276 N ALA A 86 -0.968 -12.332 8.515 1.00 2.42 N ATOM 1277 CA ALA A 86 -0.232 -11.071 8.775 1.00 73.45 C ATOM 1278 C ALA A 86 -0.358 -10.655 10.257 1.00 3.40 C ATOM 1279 O ALA A 86 -1.328 -10.986 10.919 1.00 43.33 O ATOM 1280 CB ALA A 86 -0.734 -9.958 7.839 1.00 21.11 C ATOM 0 H ALA A 86 -1.981 -12.214 8.491 1.00 2.42 H new ATOM 0 HA ALA A 86 0.825 -11.238 8.569 1.00 73.45 H new ATOM 0 HB1 ALA A 86 -0.185 -9.038 8.041 1.00 21.11 H new ATOM 0 HB2 ALA A 86 -0.575 -10.255 6.802 1.00 21.11 H new ATOM 0 HB3 ALA A 86 -1.797 -9.791 8.010 1.00 21.11 H new ATOM 1286 N GLU A 87 0.657 -9.961 10.766 1.00 32.02 N ATOM 1287 CA GLU A 87 0.731 -9.500 12.171 1.00 72.51 C ATOM 1288 C GLU A 87 0.701 -7.956 12.227 1.00 71.11 C ATOM 1289 O GLU A 87 1.567 -7.303 11.646 1.00 23.31 O ATOM 1290 CB GLU A 87 2.049 -10.046 12.795 1.00 73.10 C ATOM 1291 CG GLU A 87 2.304 -9.687 14.267 1.00 13.24 C ATOM 1292 CD GLU A 87 1.305 -10.338 15.237 1.00 31.15 C ATOM 1293 OE1 GLU A 87 1.468 -11.544 15.544 1.00 42.14 O ATOM 1294 OE2 GLU A 87 0.373 -9.653 15.695 1.00 40.54 O ATOM 0 H GLU A 87 1.471 -9.693 10.213 1.00 32.02 H new ATOM 0 HA GLU A 87 -0.125 -9.871 12.735 1.00 72.51 H new ATOM 0 HB2 GLU A 87 2.047 -11.132 12.703 1.00 73.10 H new ATOM 0 HB3 GLU A 87 2.887 -9.677 12.203 1.00 73.10 H new ATOM 0 HG2 GLU A 87 3.314 -9.993 14.538 1.00 13.24 H new ATOM 0 HG3 GLU A 87 2.258 -8.604 14.382 1.00 13.24 H new ATOM 1301 N ILE A 88 -0.294 -7.379 12.925 1.00 44.02 N ATOM 1302 CA ILE A 88 -0.448 -5.907 13.018 1.00 43.21 C ATOM 1303 C ILE A 88 0.702 -5.285 13.858 1.00 31.21 C ATOM 1304 O ILE A 88 0.785 -5.504 15.071 1.00 12.15 O ATOM 1305 CB ILE A 88 -1.843 -5.491 13.633 1.00 3.21 C ATOM 1306 CG1 ILE A 88 -3.030 -6.149 12.855 1.00 1.42 C ATOM 1307 CG2 ILE A 88 -2.004 -3.942 13.677 1.00 61.21 C ATOM 1308 CD1 ILE A 88 -3.178 -5.713 11.404 1.00 4.40 C ATOM 0 H ILE A 88 -1.005 -7.905 13.434 1.00 44.02 H new ATOM 0 HA ILE A 88 -0.402 -5.520 12.000 1.00 43.21 H new ATOM 0 HB ILE A 88 -1.868 -5.862 14.658 1.00 3.21 H new ATOM 0 HG12 ILE A 88 -2.904 -7.231 12.881 1.00 1.42 H new ATOM 0 HG13 ILE A 88 -3.957 -5.923 13.381 1.00 1.42 H new ATOM 0 HG21 ILE A 88 -2.974 -3.689 14.105 1.00 61.21 H new ATOM 0 HG22 ILE A 88 -1.213 -3.511 14.291 1.00 61.21 H new ATOM 0 HG23 ILE A 88 -1.938 -3.540 12.666 1.00 61.21 H new ATOM 0 HD11 ILE A 88 -4.028 -6.226 10.955 1.00 4.40 H new ATOM 0 HD12 ILE A 88 -3.341 -4.636 11.362 1.00 4.40 H new ATOM 0 HD13 ILE A 88 -2.271 -5.964 10.854 1.00 4.40 H new ATOM 1320 N ASP A 89 1.610 -4.560 13.182 1.00 11.21 N ATOM 1321 CA ASP A 89 2.678 -3.778 13.842 1.00 54.32 C ATOM 1322 C ASP A 89 2.141 -2.403 14.309 1.00 44.13 C ATOM 1323 O ASP A 89 2.527 -1.903 15.375 1.00 22.04 O ATOM 1324 CB ASP A 89 3.874 -3.562 12.876 1.00 33.24 C ATOM 1325 CG ASP A 89 4.446 -4.864 12.301 1.00 13.22 C ATOM 1326 OD1 ASP A 89 4.735 -5.792 13.085 1.00 74.03 O ATOM 1327 OD2 ASP A 89 4.643 -4.951 11.069 1.00 30.10 O ATOM 0 H ASP A 89 1.627 -4.498 12.164 1.00 11.21 H new ATOM 0 HA ASP A 89 3.016 -4.343 14.711 1.00 54.32 H new ATOM 0 HB2 ASP A 89 3.554 -2.922 12.054 1.00 33.24 H new ATOM 0 HB3 ASP A 89 4.665 -3.030 13.405 1.00 33.24 H new ATOM 1332 N SER A 90 1.246 -1.806 13.490 1.00 61.04 N ATOM 1333 CA SER A 90 0.697 -0.447 13.736 1.00 63.45 C ATOM 1334 C SER A 90 -0.590 -0.190 12.911 1.00 43.12 C ATOM 1335 O SER A 90 -0.798 -0.798 11.854 1.00 31.50 O ATOM 1336 CB SER A 90 1.764 0.635 13.404 1.00 73.51 C ATOM 1337 OG SER A 90 1.323 1.939 13.756 1.00 41.31 O ATOM 0 H SER A 90 0.884 -2.247 12.644 1.00 61.04 H new ATOM 0 HA SER A 90 0.436 -0.386 14.792 1.00 63.45 H new ATOM 0 HB2 SER A 90 2.688 0.409 13.935 1.00 73.51 H new ATOM 0 HB3 SER A 90 1.993 0.604 12.339 1.00 73.51 H new ATOM 0 HG SER A 90 2.020 2.591 13.534 1.00 41.31 H new ATOM 1343 N ALA A 91 -1.450 0.714 13.417 1.00 4.23 N ATOM 1344 CA ALA A 91 -2.704 1.139 12.748 1.00 23.43 C ATOM 1345 C ALA A 91 -2.648 2.647 12.402 1.00 61.41 C ATOM 1346 O ALA A 91 -2.283 3.464 13.250 1.00 23.23 O ATOM 1347 CB ALA A 91 -3.912 0.838 13.658 1.00 31.33 C ATOM 0 H ALA A 91 -1.296 1.178 14.312 1.00 4.23 H new ATOM 0 HA ALA A 91 -2.815 0.580 11.819 1.00 23.43 H new ATOM 0 HB1 ALA A 91 -4.829 1.153 13.161 1.00 31.33 H new ATOM 0 HB2 ALA A 91 -3.957 -0.232 13.860 1.00 31.33 H new ATOM 0 HB3 ALA A 91 -3.804 1.381 14.597 1.00 31.33 H new ATOM 1353 N GLU A 92 -3.013 3.014 11.159 1.00 3.33 N ATOM 1354 CA GLU A 92 -2.973 4.420 10.676 1.00 10.35 C ATOM 1355 C GLU A 92 -4.305 4.853 10.030 1.00 65.13 C ATOM 1356 O GLU A 92 -4.861 4.151 9.181 1.00 13.11 O ATOM 1357 CB GLU A 92 -1.810 4.599 9.657 1.00 40.14 C ATOM 1358 CG GLU A 92 -0.396 4.608 10.278 1.00 65.24 C ATOM 1359 CD GLU A 92 -0.108 5.857 11.140 1.00 64.13 C ATOM 1360 OE1 GLU A 92 0.227 6.921 10.569 1.00 70.43 O ATOM 1361 OE2 GLU A 92 -0.240 5.794 12.384 1.00 41.00 O ATOM 0 H GLU A 92 -3.344 2.351 10.458 1.00 3.33 H new ATOM 0 HA GLU A 92 -2.807 5.058 11.544 1.00 10.35 H new ATOM 0 HB2 GLU A 92 -1.863 3.795 8.923 1.00 40.14 H new ATOM 0 HB3 GLU A 92 -1.960 5.534 9.118 1.00 40.14 H new ATOM 0 HG2 GLU A 92 -0.272 3.716 10.892 1.00 65.24 H new ATOM 0 HG3 GLU A 92 0.343 4.550 9.479 1.00 65.24 H new ATOM 1368 N LYS A 93 -4.815 6.019 10.449 1.00 45.25 N ATOM 1369 CA LYS A 93 -5.926 6.705 9.768 1.00 71.31 C ATOM 1370 C LYS A 93 -5.326 7.710 8.752 1.00 53.13 C ATOM 1371 O LYS A 93 -4.970 8.838 9.118 1.00 73.42 O ATOM 1372 CB LYS A 93 -6.814 7.434 10.821 1.00 53.43 C ATOM 1373 CG LYS A 93 -7.375 6.528 11.948 1.00 13.13 C ATOM 1374 CD LYS A 93 -8.415 5.500 11.442 1.00 43.02 C ATOM 1375 CE LYS A 93 -8.957 4.596 12.568 1.00 62.35 C ATOM 1376 NZ LYS A 93 -10.069 3.730 12.100 1.00 24.32 N ATOM 0 H LYS A 93 -4.470 6.515 11.271 1.00 45.25 H new ATOM 0 HA LYS A 93 -6.555 5.990 9.237 1.00 71.31 H new ATOM 0 HB2 LYS A 93 -6.229 8.233 11.276 1.00 53.43 H new ATOM 0 HB3 LYS A 93 -7.650 7.905 10.305 1.00 53.43 H new ATOM 0 HG2 LYS A 93 -6.550 5.997 12.423 1.00 13.13 H new ATOM 0 HG3 LYS A 93 -7.834 7.153 12.713 1.00 13.13 H new ATOM 0 HD2 LYS A 93 -9.246 6.030 10.976 1.00 43.02 H new ATOM 0 HD3 LYS A 93 -7.960 4.879 10.671 1.00 43.02 H new ATOM 0 HE2 LYS A 93 -8.150 3.973 12.953 1.00 62.35 H new ATOM 0 HE3 LYS A 93 -9.304 5.216 13.395 1.00 62.35 H new ATOM 0 HZ1 LYS A 93 -10.135 2.890 12.709 1.00 24.32 H new ATOM 0 HZ2 LYS A 93 -10.963 4.260 12.143 1.00 24.32 H new ATOM 0 HZ3 LYS A 93 -9.889 3.433 11.120 1.00 24.32 H new ATOM 1390 N THR A 94 -5.158 7.279 7.488 1.00 33.45 N ATOM 1391 CA THR A 94 -4.496 8.088 6.432 1.00 4.12 C ATOM 1392 C THR A 94 -5.240 7.982 5.084 1.00 23.25 C ATOM 1393 O THR A 94 -5.905 6.978 4.813 1.00 62.35 O ATOM 1394 CB THR A 94 -2.990 7.677 6.252 1.00 14.15 C ATOM 1395 OG1 THR A 94 -2.376 8.460 5.211 1.00 33.34 O ATOM 1396 CG2 THR A 94 -2.816 6.175 5.943 1.00 54.42 C ATOM 0 H THR A 94 -5.474 6.365 7.165 1.00 33.45 H new ATOM 0 HA THR A 94 -4.533 9.126 6.761 1.00 4.12 H new ATOM 0 HB THR A 94 -2.497 7.875 7.204 1.00 14.15 H new ATOM 0 HG1 THR A 94 -1.438 8.194 5.112 1.00 33.34 H new ATOM 0 HG21 THR A 94 -1.756 5.947 5.829 1.00 54.42 H new ATOM 0 HG22 THR A 94 -3.227 5.585 6.762 1.00 54.42 H new ATOM 0 HG23 THR A 94 -3.341 5.930 5.020 1.00 54.42 H new ATOM 1404 N THR A 95 -5.105 9.011 4.230 1.00 31.00 N ATOM 1405 CA THR A 95 -5.725 9.032 2.887 1.00 21.52 C ATOM 1406 C THR A 95 -4.771 8.381 1.870 1.00 64.35 C ATOM 1407 O THR A 95 -3.621 8.819 1.728 1.00 71.43 O ATOM 1408 CB THR A 95 -6.068 10.496 2.428 1.00 55.32 C ATOM 1409 OG1 THR A 95 -6.892 11.129 3.422 1.00 4.20 O ATOM 1410 CG2 THR A 95 -6.795 10.534 1.061 1.00 50.22 C ATOM 0 H THR A 95 -4.566 9.850 4.446 1.00 31.00 H new ATOM 0 HA THR A 95 -6.658 8.471 2.938 1.00 21.52 H new ATOM 0 HB THR A 95 -5.125 11.030 2.313 1.00 55.32 H new ATOM 0 HG1 THR A 95 -7.105 12.042 3.137 1.00 4.20 H new ATOM 0 HG21 THR A 95 -7.009 11.568 0.791 1.00 50.22 H new ATOM 0 HG22 THR A 95 -6.160 10.084 0.298 1.00 50.22 H new ATOM 0 HG23 THR A 95 -7.729 9.977 1.130 1.00 50.22 H new ATOM 1418 N VAL A 96 -5.253 7.356 1.147 1.00 52.43 N ATOM 1419 CA VAL A 96 -4.449 6.626 0.152 1.00 4.14 C ATOM 1420 C VAL A 96 -4.975 6.962 -1.261 1.00 12.01 C ATOM 1421 O VAL A 96 -6.177 6.943 -1.518 1.00 22.23 O ATOM 1422 CB VAL A 96 -4.459 5.063 0.404 1.00 12.14 C ATOM 1423 CG1 VAL A 96 -3.680 4.694 1.690 1.00 50.10 C ATOM 1424 CG2 VAL A 96 -5.898 4.491 0.465 1.00 72.11 C ATOM 0 H VAL A 96 -6.209 7.011 1.235 1.00 52.43 H new ATOM 0 HA VAL A 96 -3.411 6.945 0.245 1.00 4.14 H new ATOM 0 HB VAL A 96 -3.956 4.607 -0.449 1.00 12.14 H new ATOM 0 HG11 VAL A 96 -3.706 3.614 1.834 1.00 50.10 H new ATOM 0 HG12 VAL A 96 -2.645 5.022 1.595 1.00 50.10 H new ATOM 0 HG13 VAL A 96 -4.140 5.186 2.547 1.00 50.10 H new ATOM 0 HG21 VAL A 96 -5.855 3.416 0.639 1.00 72.11 H new ATOM 0 HG22 VAL A 96 -6.445 4.969 1.278 1.00 72.11 H new ATOM 0 HG23 VAL A 96 -6.407 4.685 -0.479 1.00 72.11 H new ATOM 1434 N TYR A 97 -4.057 7.295 -2.158 1.00 13.41 N ATOM 1435 CA TYR A 97 -4.359 7.714 -3.530 1.00 63.43 C ATOM 1436 C TYR A 97 -4.025 6.602 -4.545 1.00 24.21 C ATOM 1437 O TYR A 97 -3.033 5.879 -4.407 1.00 53.33 O ATOM 1438 CB TYR A 97 -3.558 9.000 -3.864 1.00 23.54 C ATOM 1439 CG TYR A 97 -3.869 10.194 -2.936 1.00 53.32 C ATOM 1440 CD1 TYR A 97 -4.933 11.058 -3.202 1.00 3.02 C ATOM 1441 CD2 TYR A 97 -3.107 10.441 -1.786 1.00 13.25 C ATOM 1442 CE1 TYR A 97 -5.222 12.119 -2.367 1.00 51.33 C ATOM 1443 CE2 TYR A 97 -3.400 11.503 -0.947 1.00 70.11 C ATOM 1444 CZ TYR A 97 -4.458 12.339 -1.243 1.00 0.12 C ATOM 1445 OH TYR A 97 -4.754 13.402 -0.415 1.00 43.23 O ATOM 0 H TYR A 97 -3.058 7.283 -1.953 1.00 13.41 H new ATOM 0 HA TYR A 97 -5.428 7.917 -3.601 1.00 63.43 H new ATOM 0 HB2 TYR A 97 -2.493 8.777 -3.807 1.00 23.54 H new ATOM 0 HB3 TYR A 97 -3.768 9.289 -4.894 1.00 23.54 H new ATOM 0 HD1 TYR A 97 -5.542 10.893 -4.078 1.00 3.02 H new ATOM 0 HD2 TYR A 97 -2.277 9.792 -1.550 1.00 13.25 H new ATOM 0 HE1 TYR A 97 -6.048 12.777 -2.596 1.00 51.33 H new ATOM 0 HE2 TYR A 97 -2.803 11.677 -0.064 1.00 70.11 H new ATOM 0 HH TYR A 97 -3.931 13.889 -0.201 1.00 43.23 H new ATOM 1455 N MET A 98 -4.886 6.482 -5.554 1.00 52.44 N ATOM 1456 CA MET A 98 -4.672 5.609 -6.717 1.00 24.43 C ATOM 1457 C MET A 98 -4.015 6.444 -7.838 1.00 74.14 C ATOM 1458 O MET A 98 -4.617 7.406 -8.305 1.00 5.51 O ATOM 1459 CB MET A 98 -6.040 5.031 -7.156 1.00 74.34 C ATOM 1460 CG MET A 98 -6.014 4.181 -8.427 1.00 73.33 C ATOM 1461 SD MET A 98 -7.610 3.410 -8.790 1.00 55.12 S ATOM 1462 CE MET A 98 -8.716 4.823 -8.856 1.00 42.33 C ATOM 0 H MET A 98 -5.767 6.995 -5.591 1.00 52.44 H new ATOM 0 HA MET A 98 -4.011 4.776 -6.478 1.00 24.43 H new ATOM 0 HB2 MET A 98 -6.438 4.425 -6.342 1.00 74.34 H new ATOM 0 HB3 MET A 98 -6.734 5.858 -7.306 1.00 74.34 H new ATOM 0 HG2 MET A 98 -5.718 4.805 -9.270 1.00 73.33 H new ATOM 0 HG3 MET A 98 -5.256 3.405 -8.324 1.00 73.33 H new ATOM 0 HE1 MET A 98 -9.492 4.643 -9.600 1.00 42.33 H new ATOM 0 HE2 MET A 98 -9.177 4.970 -7.879 1.00 42.33 H new ATOM 0 HE3 MET A 98 -8.151 5.715 -9.128 1.00 42.33 H new ATOM 1472 N VAL A 99 -2.766 6.108 -8.231 1.00 60.24 N ATOM 1473 CA VAL A 99 -1.978 6.923 -9.212 1.00 4.50 C ATOM 1474 C VAL A 99 -1.463 6.078 -10.407 1.00 52.52 C ATOM 1475 O VAL A 99 -1.498 4.849 -10.369 1.00 24.20 O ATOM 1476 CB VAL A 99 -0.750 7.637 -8.512 1.00 42.10 C ATOM 1477 CG1 VAL A 99 -1.227 8.629 -7.419 1.00 24.25 C ATOM 1478 CG2 VAL A 99 0.261 6.605 -7.932 1.00 1.10 C ATOM 0 H VAL A 99 -2.274 5.282 -7.891 1.00 60.24 H new ATOM 0 HA VAL A 99 -2.665 7.676 -9.597 1.00 4.50 H new ATOM 0 HB VAL A 99 -0.227 8.209 -9.278 1.00 42.10 H new ATOM 0 HG11 VAL A 99 -0.362 9.104 -6.956 1.00 24.25 H new ATOM 0 HG12 VAL A 99 -1.861 9.392 -7.871 1.00 24.25 H new ATOM 0 HG13 VAL A 99 -1.794 8.089 -6.660 1.00 24.25 H new ATOM 0 HG21 VAL A 99 1.089 7.133 -7.460 1.00 1.10 H new ATOM 0 HG22 VAL A 99 -0.240 5.981 -7.192 1.00 1.10 H new ATOM 0 HG23 VAL A 99 0.643 5.977 -8.737 1.00 1.10 H new ATOM 1488 N ASP A 100 -0.984 6.764 -11.471 1.00 62.10 N ATOM 1489 CA ASP A 100 -0.286 6.104 -12.607 1.00 11.32 C ATOM 1490 C ASP A 100 1.010 6.854 -12.998 1.00 31.10 C ATOM 1491 O ASP A 100 0.996 8.066 -13.227 1.00 53.15 O ATOM 1492 CB ASP A 100 -1.230 5.922 -13.827 1.00 43.04 C ATOM 1493 CG ASP A 100 -1.708 7.219 -14.493 1.00 11.34 C ATOM 1494 OD1 ASP A 100 -2.437 7.980 -13.845 1.00 52.24 O ATOM 1495 OD2 ASP A 100 -1.388 7.452 -15.684 1.00 43.33 O ATOM 0 H ASP A 100 -1.067 7.776 -11.569 1.00 62.10 H new ATOM 0 HA ASP A 100 0.008 5.110 -12.270 1.00 11.32 H new ATOM 0 HB2 ASP A 100 -0.716 5.318 -14.575 1.00 43.04 H new ATOM 0 HB3 ASP A 100 -2.104 5.355 -13.506 1.00 43.04 H new ATOM 1500 N TYR A 101 2.126 6.105 -13.094 1.00 32.01 N ATOM 1501 CA TYR A 101 3.483 6.666 -13.311 1.00 45.34 C ATOM 1502 C TYR A 101 4.289 5.825 -14.327 1.00 62.54 C ATOM 1503 O TYR A 101 3.837 4.775 -14.787 1.00 34.35 O ATOM 1504 CB TYR A 101 4.240 6.734 -11.946 1.00 51.41 C ATOM 1505 CG TYR A 101 4.468 5.369 -11.256 1.00 25.02 C ATOM 1506 CD1 TYR A 101 3.468 4.772 -10.472 1.00 0.24 C ATOM 1507 CD2 TYR A 101 5.680 4.676 -11.389 1.00 55.10 C ATOM 1508 CE1 TYR A 101 3.672 3.549 -9.856 1.00 53.34 C ATOM 1509 CE2 TYR A 101 5.883 3.452 -10.776 1.00 31.23 C ATOM 1510 CZ TYR A 101 4.878 2.893 -10.010 1.00 54.34 C ATOM 1511 OH TYR A 101 5.078 1.669 -9.401 1.00 1.42 O ATOM 0 H TYR A 101 2.116 5.087 -13.023 1.00 32.01 H new ATOM 0 HA TYR A 101 3.378 7.669 -13.725 1.00 45.34 H new ATOM 0 HB2 TYR A 101 5.208 7.208 -12.108 1.00 51.41 H new ATOM 0 HB3 TYR A 101 3.679 7.377 -11.268 1.00 51.41 H new ATOM 0 HD1 TYR A 101 2.521 5.277 -10.347 1.00 0.24 H new ATOM 0 HD2 TYR A 101 6.472 5.107 -11.983 1.00 55.10 H new ATOM 0 HE1 TYR A 101 2.889 3.108 -9.256 1.00 53.34 H new ATOM 0 HE2 TYR A 101 6.824 2.935 -10.896 1.00 31.23 H new ATOM 0 HH TYR A 101 5.978 1.343 -9.610 1.00 1.42 H new ATOM 1521 N THR A 102 5.502 6.301 -14.652 1.00 1.45 N ATOM 1522 CA THR A 102 6.494 5.545 -15.461 1.00 23.42 C ATOM 1523 C THR A 102 7.727 5.217 -14.590 1.00 44.35 C ATOM 1524 O THR A 102 8.227 6.089 -13.873 1.00 65.53 O ATOM 1525 CB THR A 102 6.935 6.355 -16.732 1.00 14.41 C ATOM 1526 OG1 THR A 102 5.795 6.595 -17.578 1.00 24.22 O ATOM 1527 CG2 THR A 102 8.032 5.637 -17.552 1.00 72.53 C ATOM 0 H THR A 102 5.831 7.223 -14.364 1.00 1.45 H new ATOM 0 HA THR A 102 6.026 4.621 -15.801 1.00 23.42 H new ATOM 0 HB THR A 102 7.355 7.295 -16.375 1.00 14.41 H new ATOM 0 HG1 THR A 102 5.941 7.412 -18.100 1.00 24.22 H new ATOM 0 HG21 THR A 102 8.296 6.245 -18.418 1.00 72.53 H new ATOM 0 HG22 THR A 102 8.914 5.490 -16.929 1.00 72.53 H new ATOM 0 HG23 THR A 102 7.660 4.669 -17.888 1.00 72.53 H new ATOM 1535 N SER A 103 8.206 3.958 -14.663 1.00 71.12 N ATOM 1536 CA SER A 103 9.360 3.478 -13.865 1.00 54.45 C ATOM 1537 C SER A 103 10.683 4.150 -14.314 1.00 61.14 C ATOM 1538 O SER A 103 11.095 4.024 -15.468 1.00 52.01 O ATOM 1539 CB SER A 103 9.489 1.939 -13.965 1.00 70.55 C ATOM 1540 OG SER A 103 10.604 1.448 -13.235 1.00 62.12 O ATOM 0 H SER A 103 7.807 3.245 -15.274 1.00 71.12 H new ATOM 0 HA SER A 103 9.176 3.754 -12.827 1.00 54.45 H new ATOM 0 HB2 SER A 103 8.577 1.474 -13.590 1.00 70.55 H new ATOM 0 HB3 SER A 103 9.586 1.651 -15.012 1.00 70.55 H new ATOM 0 HG SER A 103 10.480 0.494 -13.051 1.00 62.12 H new ATOM 1546 N THR A 104 11.325 4.869 -13.380 1.00 65.03 N ATOM 1547 CA THR A 104 12.617 5.551 -13.609 1.00 40.33 C ATOM 1548 C THR A 104 13.800 4.560 -13.737 1.00 22.14 C ATOM 1549 O THR A 104 14.824 4.879 -14.354 1.00 1.53 O ATOM 1550 CB THR A 104 12.907 6.581 -12.468 1.00 70.45 C ATOM 1551 OG1 THR A 104 12.932 5.912 -11.186 1.00 65.21 O ATOM 1552 CG2 THR A 104 11.843 7.698 -12.447 1.00 3.25 C ATOM 0 H THR A 104 10.962 4.997 -12.435 1.00 65.03 H new ATOM 0 HA THR A 104 12.527 6.076 -14.560 1.00 40.33 H new ATOM 0 HB THR A 104 13.880 7.032 -12.662 1.00 70.45 H new ATOM 0 HG1 THR A 104 12.741 6.559 -10.475 1.00 65.21 H new ATOM 0 HG21 THR A 104 12.069 8.400 -11.644 1.00 3.25 H new ATOM 0 HG22 THR A 104 11.849 8.224 -13.402 1.00 3.25 H new ATOM 0 HG23 THR A 104 10.859 7.260 -12.280 1.00 3.25 H new ATOM 1560 N THR A 105 13.669 3.368 -13.122 1.00 22.42 N ATOM 1561 CA THR A 105 14.673 2.287 -13.245 1.00 41.15 C ATOM 1562 C THR A 105 14.484 1.488 -14.553 1.00 31.20 C ATOM 1563 O THR A 105 15.407 1.392 -15.369 1.00 0.34 O ATOM 1564 CB THR A 105 14.626 1.294 -12.027 1.00 60.41 C ATOM 1565 OG1 THR A 105 13.287 0.808 -11.830 1.00 64.44 O ATOM 1566 CG2 THR A 105 15.138 1.943 -10.733 1.00 42.10 C ATOM 0 H THR A 105 12.873 3.127 -12.531 1.00 22.42 H new ATOM 0 HA THR A 105 15.646 2.778 -13.258 1.00 41.15 H new ATOM 0 HB THR A 105 15.287 0.461 -12.266 1.00 60.41 H new ATOM 0 HG1 THR A 105 13.272 0.190 -11.070 1.00 64.44 H new ATOM 0 HG21 THR A 105 15.087 1.220 -9.919 1.00 42.10 H new ATOM 0 HG22 THR A 105 16.171 2.263 -10.870 1.00 42.10 H new ATOM 0 HG23 THR A 105 14.520 2.807 -10.490 1.00 42.10 H new ATOM 1574 N SER A 106 13.275 0.932 -14.745 1.00 1.24 N ATOM 1575 CA SER A 106 12.965 -0.006 -15.856 1.00 4.34 C ATOM 1576 C SER A 106 12.413 0.711 -17.108 1.00 22.25 C ATOM 1577 O SER A 106 12.919 0.531 -18.222 1.00 24.14 O ATOM 1578 CB SER A 106 11.932 -1.049 -15.361 1.00 4.54 C ATOM 1579 OG SER A 106 11.481 -1.894 -16.413 1.00 40.52 O ATOM 0 H SER A 106 12.478 1.116 -14.136 1.00 1.24 H new ATOM 0 HA SER A 106 13.898 -0.488 -16.149 1.00 4.34 H new ATOM 0 HB2 SER A 106 12.379 -1.657 -14.574 1.00 4.54 H new ATOM 0 HB3 SER A 106 11.079 -0.533 -14.920 1.00 4.54 H new ATOM 0 HG SER A 106 10.832 -2.538 -16.060 1.00 40.52 H new ATOM 1585 N GLY A 107 11.386 1.552 -16.901 1.00 20.12 N ATOM 1586 CA GLY A 107 10.582 2.118 -18.005 1.00 3.22 C ATOM 1587 C GLY A 107 9.127 1.634 -17.986 1.00 15.04 C ATOM 1588 O GLY A 107 8.272 2.218 -18.660 1.00 10.31 O ATOM 0 H GLY A 107 11.089 1.858 -15.974 1.00 20.12 H new ATOM 0 HA2 GLY A 107 10.600 3.206 -17.941 1.00 3.22 H new ATOM 0 HA3 GLY A 107 11.038 1.847 -18.957 1.00 3.22 H new ATOM 1592 N GLU A 108 8.872 0.549 -17.221 1.00 53.40 N ATOM 1593 CA GLU A 108 7.524 -0.021 -16.981 1.00 33.15 C ATOM 1594 C GLU A 108 6.503 1.049 -16.506 1.00 2.53 C ATOM 1595 O GLU A 108 6.634 1.606 -15.412 1.00 52.14 O ATOM 1596 CB GLU A 108 7.629 -1.163 -15.915 1.00 52.14 C ATOM 1597 CG GLU A 108 6.283 -1.736 -15.383 1.00 24.33 C ATOM 1598 CD GLU A 108 5.499 -2.617 -16.384 1.00 51.12 C ATOM 1599 OE1 GLU A 108 4.986 -2.091 -17.395 1.00 2.32 O ATOM 1600 OE2 GLU A 108 5.367 -3.841 -16.148 1.00 22.22 O ATOM 0 H GLU A 108 9.611 0.034 -16.743 1.00 53.40 H new ATOM 0 HA GLU A 108 7.158 -0.416 -17.929 1.00 33.15 H new ATOM 0 HB2 GLU A 108 8.203 -1.983 -16.347 1.00 52.14 H new ATOM 0 HB3 GLU A 108 8.200 -0.787 -15.066 1.00 52.14 H new ATOM 0 HG2 GLU A 108 6.486 -2.324 -14.488 1.00 24.33 H new ATOM 0 HG3 GLU A 108 5.647 -0.904 -15.081 1.00 24.33 H new ATOM 1607 N LYS A 109 5.497 1.331 -17.345 1.00 43.30 N ATOM 1608 CA LYS A 109 4.385 2.223 -16.973 1.00 23.44 C ATOM 1609 C LYS A 109 3.364 1.437 -16.124 1.00 14.14 C ATOM 1610 O LYS A 109 2.819 0.420 -16.567 1.00 13.41 O ATOM 1611 CB LYS A 109 3.706 2.843 -18.223 1.00 44.33 C ATOM 1612 CG LYS A 109 4.651 3.704 -19.094 1.00 42.33 C ATOM 1613 CD LYS A 109 3.919 4.389 -20.273 1.00 3.23 C ATOM 1614 CE LYS A 109 4.884 5.118 -21.229 1.00 24.24 C ATOM 1615 NZ LYS A 109 5.750 6.107 -20.529 1.00 35.13 N ATOM 0 H LYS A 109 5.429 0.954 -18.290 1.00 43.30 H new ATOM 0 HA LYS A 109 4.783 3.050 -16.386 1.00 23.44 H new ATOM 0 HB2 LYS A 109 3.295 2.040 -18.836 1.00 44.33 H new ATOM 0 HB3 LYS A 109 2.866 3.458 -17.899 1.00 44.33 H new ATOM 0 HG2 LYS A 109 5.119 4.466 -18.471 1.00 42.33 H new ATOM 0 HG3 LYS A 109 5.451 3.076 -19.485 1.00 42.33 H new ATOM 0 HD2 LYS A 109 3.358 3.640 -20.831 1.00 3.23 H new ATOM 0 HD3 LYS A 109 3.195 5.103 -19.880 1.00 3.23 H new ATOM 0 HE2 LYS A 109 5.512 4.384 -21.733 1.00 24.24 H new ATOM 0 HE3 LYS A 109 4.308 5.628 -22.001 1.00 24.24 H new ATOM 0 HZ1 LYS A 109 5.696 7.023 -21.018 1.00 35.13 H new ATOM 0 HZ2 LYS A 109 5.425 6.219 -19.547 1.00 35.13 H new ATOM 0 HZ3 LYS A 109 6.734 5.770 -20.532 1.00 35.13 H new ATOM 1629 N VAL A 110 3.133 1.910 -14.898 1.00 52.30 N ATOM 1630 CA VAL A 110 2.226 1.264 -13.930 1.00 2.41 C ATOM 1631 C VAL A 110 0.989 2.153 -13.729 1.00 43.31 C ATOM 1632 O VAL A 110 1.123 3.314 -13.348 1.00 5.25 O ATOM 1633 CB VAL A 110 2.940 1.026 -12.553 1.00 71.53 C ATOM 1634 CG1 VAL A 110 1.990 0.364 -11.521 1.00 72.24 C ATOM 1635 CG2 VAL A 110 4.240 0.200 -12.733 1.00 54.45 C ATOM 0 H VAL A 110 3.571 2.759 -14.540 1.00 52.30 H new ATOM 0 HA VAL A 110 1.929 0.293 -14.326 1.00 2.41 H new ATOM 0 HB VAL A 110 3.217 2.003 -12.156 1.00 71.53 H new ATOM 0 HG11 VAL A 110 2.521 0.216 -10.581 1.00 72.24 H new ATOM 0 HG12 VAL A 110 1.128 1.010 -11.353 1.00 72.24 H new ATOM 0 HG13 VAL A 110 1.652 -0.599 -11.903 1.00 72.24 H new ATOM 0 HG21 VAL A 110 4.713 0.051 -11.763 1.00 54.45 H new ATOM 0 HG22 VAL A 110 3.998 -0.768 -13.172 1.00 54.45 H new ATOM 0 HG23 VAL A 110 4.923 0.736 -13.391 1.00 54.45 H new ATOM 1645 N LYS A 111 -0.211 1.600 -13.973 1.00 33.31 N ATOM 1646 CA LYS A 111 -1.479 2.350 -13.861 1.00 43.24 C ATOM 1647 C LYS A 111 -2.350 1.822 -12.706 1.00 63.14 C ATOM 1648 O LYS A 111 -2.241 0.651 -12.317 1.00 4.11 O ATOM 1649 CB LYS A 111 -2.270 2.319 -15.198 1.00 50.05 C ATOM 1650 CG LYS A 111 -1.558 3.020 -16.381 1.00 63.24 C ATOM 1651 CD LYS A 111 -2.451 3.148 -17.640 1.00 43.01 C ATOM 1652 CE LYS A 111 -3.676 4.064 -17.425 1.00 21.41 C ATOM 1653 NZ LYS A 111 -3.287 5.458 -17.061 1.00 32.44 N ATOM 0 H LYS A 111 -0.332 0.626 -14.252 1.00 33.31 H new ATOM 0 HA LYS A 111 -1.221 3.386 -13.639 1.00 43.24 H new ATOM 0 HB2 LYS A 111 -2.461 1.281 -15.469 1.00 50.05 H new ATOM 0 HB3 LYS A 111 -3.240 2.791 -15.043 1.00 50.05 H new ATOM 0 HG2 LYS A 111 -1.239 4.014 -16.067 1.00 63.24 H new ATOM 0 HG3 LYS A 111 -0.657 2.462 -16.637 1.00 63.24 H new ATOM 0 HD2 LYS A 111 -1.853 3.538 -18.464 1.00 43.01 H new ATOM 0 HD3 LYS A 111 -2.794 2.157 -17.937 1.00 43.01 H new ATOM 0 HE2 LYS A 111 -4.276 4.083 -18.335 1.00 21.41 H new ATOM 0 HE3 LYS A 111 -4.304 3.647 -16.637 1.00 21.41 H new ATOM 0 HZ1 LYS A 111 -4.048 6.113 -17.333 1.00 32.44 H new ATOM 0 HZ2 LYS A 111 -3.129 5.518 -16.035 1.00 32.44 H new ATOM 0 HZ3 LYS A 111 -2.412 5.716 -17.561 1.00 32.44 H new ATOM 1667 N ASN A 112 -3.206 2.721 -12.172 1.00 33.41 N ATOM 1668 CA ASN A 112 -4.182 2.415 -11.089 1.00 43.13 C ATOM 1669 C ASN A 112 -3.513 1.828 -9.805 1.00 62.44 C ATOM 1670 O ASN A 112 -4.160 1.095 -9.046 1.00 21.24 O ATOM 1671 CB ASN A 112 -5.297 1.461 -11.626 1.00 20.35 C ATOM 1672 CG ASN A 112 -6.046 2.002 -12.848 1.00 20.45 C ATOM 1673 OD1 ASN A 112 -6.187 3.201 -13.029 1.00 31.51 O ATOM 1674 ND2 ASN A 112 -6.549 1.119 -13.687 1.00 20.11 N ATOM 0 H ASN A 112 -3.243 3.692 -12.481 1.00 33.41 H new ATOM 0 HA ASN A 112 -4.630 3.362 -10.787 1.00 43.13 H new ATOM 0 HB2 ASN A 112 -4.847 0.502 -11.884 1.00 20.35 H new ATOM 0 HB3 ASN A 112 -6.014 1.272 -10.827 1.00 20.35 H new ATOM 0 HD21 ASN A 112 -7.068 1.433 -14.507 1.00 20.11 H new ATOM 0 HD22 ASN A 112 -6.419 0.122 -13.516 1.00 20.11 H new ATOM 1681 N HIS A 113 -2.240 2.210 -9.556 1.00 3.51 N ATOM 1682 CA HIS A 113 -1.410 1.668 -8.447 1.00 45.24 C ATOM 1683 C HIS A 113 -2.034 1.905 -7.038 1.00 10.03 C ATOM 1684 O HIS A 113 -2.573 2.977 -6.747 1.00 74.23 O ATOM 1685 CB HIS A 113 0.030 2.252 -8.508 1.00 74.03 C ATOM 1686 CG HIS A 113 0.884 1.880 -7.314 1.00 3.42 C ATOM 1687 ND1 HIS A 113 1.025 0.565 -6.927 1.00 71.33 N ATOM 1688 CD2 HIS A 113 1.501 2.668 -6.402 1.00 61.03 C ATOM 1689 CE1 HIS A 113 1.703 0.586 -5.798 1.00 31.22 C ATOM 1690 NE2 HIS A 113 2.015 1.834 -5.439 1.00 33.43 N ATOM 0 H HIS A 113 -1.753 2.907 -10.120 1.00 3.51 H new ATOM 0 HA HIS A 113 -1.371 0.588 -8.591 1.00 45.24 H new ATOM 0 HB2 HIS A 113 0.518 1.901 -9.417 1.00 74.03 H new ATOM 0 HB3 HIS A 113 -0.030 3.338 -8.578 1.00 74.03 H new ATOM 0 HD1 HIS A 113 0.675 -0.259 -7.416 1.00 71.33 H new ATOM 0 HD2 HIS A 113 1.575 3.745 -6.427 1.00 61.03 H new ATOM 0 HE1 HIS A 113 1.973 -0.295 -5.234 1.00 31.22 H new ATOM 1698 N LYS A 114 -1.917 0.867 -6.177 1.00 21.25 N ATOM 1699 CA LYS A 114 -2.504 0.810 -4.818 1.00 1.30 C ATOM 1700 C LYS A 114 -1.512 0.094 -3.831 1.00 41.31 C ATOM 1701 O LYS A 114 -0.952 -0.943 -4.197 1.00 53.23 O ATOM 1702 CB LYS A 114 -3.835 -0.007 -4.868 1.00 4.10 C ATOM 1703 CG LYS A 114 -4.926 0.530 -5.829 1.00 3.01 C ATOM 1704 CD LYS A 114 -6.158 -0.407 -5.914 1.00 62.45 C ATOM 1705 CE LYS A 114 -7.227 0.099 -6.900 1.00 23.00 C ATOM 1706 NZ LYS A 114 -7.796 1.414 -6.499 1.00 44.23 N ATOM 0 H LYS A 114 -1.397 0.023 -6.416 1.00 21.25 H new ATOM 0 HA LYS A 114 -2.694 1.826 -4.471 1.00 1.30 H new ATOM 0 HB2 LYS A 114 -3.599 -1.032 -5.155 1.00 4.10 H new ATOM 0 HB3 LYS A 114 -4.252 -0.046 -3.862 1.00 4.10 H new ATOM 0 HG2 LYS A 114 -5.247 1.516 -5.494 1.00 3.01 H new ATOM 0 HG3 LYS A 114 -4.499 0.654 -6.824 1.00 3.01 H new ATOM 0 HD2 LYS A 114 -5.832 -1.402 -6.218 1.00 62.45 H new ATOM 0 HD3 LYS A 114 -6.602 -0.506 -4.924 1.00 62.45 H new ATOM 0 HE2 LYS A 114 -6.788 0.185 -7.894 1.00 23.00 H new ATOM 0 HE3 LYS A 114 -8.030 -0.635 -6.968 1.00 23.00 H new ATOM 0 HZ1 LYS A 114 -8.833 1.378 -6.565 1.00 44.23 H new ATOM 0 HZ2 LYS A 114 -7.519 1.628 -5.520 1.00 44.23 H new ATOM 0 HZ3 LYS A 114 -7.434 2.156 -7.132 1.00 44.23 H new ATOM 1720 N TRP A 115 -1.257 0.600 -2.588 1.00 71.23 N ATOM 1721 CA TRP A 115 -1.655 1.948 -2.092 1.00 35.53 C ATOM 1722 C TRP A 115 -0.411 2.843 -1.810 1.00 52.00 C ATOM 1723 O TRP A 115 0.623 2.362 -1.333 1.00 33.50 O ATOM 1724 CB TRP A 115 -2.489 1.830 -0.777 1.00 71.23 C ATOM 1725 CG TRP A 115 -3.743 0.986 -0.892 1.00 14.31 C ATOM 1726 CD1 TRP A 115 -3.980 -0.230 -0.308 1.00 43.31 C ATOM 1727 CD2 TRP A 115 -4.933 1.310 -1.629 1.00 24.22 C ATOM 1728 NE1 TRP A 115 -5.223 -0.686 -0.651 1.00 34.42 N ATOM 1729 CE2 TRP A 115 -5.831 0.239 -1.461 1.00 72.31 C ATOM 1730 CE3 TRP A 115 -5.323 2.395 -2.424 1.00 54.34 C ATOM 1731 CZ2 TRP A 115 -7.088 0.223 -2.057 1.00 42.03 C ATOM 1732 CZ3 TRP A 115 -6.573 2.380 -3.009 1.00 11.20 C ATOM 1733 CH2 TRP A 115 -7.443 1.298 -2.822 1.00 2.05 C ATOM 0 H TRP A 115 -0.753 0.062 -1.884 1.00 71.23 H new ATOM 0 HA TRP A 115 -2.258 2.408 -2.875 1.00 35.53 H new ATOM 0 HB2 TRP A 115 -1.854 1.408 0.002 1.00 71.23 H new ATOM 0 HB3 TRP A 115 -2.771 2.831 -0.451 1.00 71.23 H new ATOM 0 HD1 TRP A 115 -3.285 -0.754 0.332 1.00 43.31 H new ATOM 0 HE1 TRP A 115 -5.632 -1.571 -0.352 1.00 34.42 H new ATOM 0 HE3 TRP A 115 -4.656 3.231 -2.577 1.00 54.34 H new ATOM 0 HZ2 TRP A 115 -7.760 -0.611 -1.920 1.00 42.03 H new ATOM 0 HZ3 TRP A 115 -6.885 3.214 -3.620 1.00 11.20 H new ATOM 0 HH2 TRP A 115 -8.415 1.314 -3.293 1.00 2.05 H new ATOM 1744 N VAL A 116 -0.552 4.146 -2.103 1.00 64.42 N ATOM 1745 CA VAL A 116 0.431 5.206 -1.731 1.00 13.05 C ATOM 1746 C VAL A 116 -0.321 6.373 -1.061 1.00 12.45 C ATOM 1747 O VAL A 116 -1.420 6.694 -1.473 1.00 3.53 O ATOM 1748 CB VAL A 116 1.261 5.741 -2.970 1.00 64.32 C ATOM 1749 CG1 VAL A 116 2.257 4.675 -3.499 1.00 72.44 C ATOM 1750 CG2 VAL A 116 0.326 6.247 -4.105 1.00 21.04 C ATOM 0 H VAL A 116 -1.358 4.509 -2.611 1.00 64.42 H new ATOM 0 HA VAL A 116 1.150 4.762 -1.042 1.00 13.05 H new ATOM 0 HB VAL A 116 1.848 6.590 -2.619 1.00 64.32 H new ATOM 0 HG11 VAL A 116 2.807 5.080 -4.348 1.00 72.44 H new ATOM 0 HG12 VAL A 116 2.957 4.407 -2.708 1.00 72.44 H new ATOM 0 HG13 VAL A 116 1.707 3.788 -3.813 1.00 72.44 H new ATOM 0 HG21 VAL A 116 0.928 6.607 -4.939 1.00 21.04 H new ATOM 0 HG22 VAL A 116 -0.311 5.430 -4.443 1.00 21.04 H new ATOM 0 HG23 VAL A 116 -0.296 7.060 -3.729 1.00 21.04 H new ATOM 1760 N THR A 117 0.256 7.000 -0.028 1.00 15.33 N ATOM 1761 CA THR A 117 -0.426 8.091 0.724 1.00 22.11 C ATOM 1762 C THR A 117 0.060 9.484 0.297 1.00 41.13 C ATOM 1763 O THR A 117 0.891 9.633 -0.607 1.00 74.54 O ATOM 1764 CB THR A 117 -0.229 7.959 2.278 1.00 62.32 C ATOM 1765 OG1 THR A 117 1.154 8.109 2.631 1.00 22.33 O ATOM 1766 CG2 THR A 117 -0.753 6.624 2.804 1.00 34.34 C ATOM 0 H THR A 117 1.191 6.780 0.315 1.00 15.33 H new ATOM 0 HA THR A 117 -1.483 7.984 0.482 1.00 22.11 H new ATOM 0 HB THR A 117 -0.807 8.758 2.742 1.00 62.32 H new ATOM 0 HG1 THR A 117 1.255 8.025 3.602 1.00 22.33 H new ATOM 0 HG21 THR A 117 -0.598 6.572 3.882 1.00 34.34 H new ATOM 0 HG22 THR A 117 -1.818 6.539 2.586 1.00 34.34 H new ATOM 0 HG23 THR A 117 -0.217 5.807 2.321 1.00 34.34 H new ATOM 1774 N GLU A 118 -0.495 10.504 0.979 1.00 13.14 N ATOM 1775 CA GLU A 118 -0.043 11.910 0.911 1.00 24.22 C ATOM 1776 C GLU A 118 1.470 12.050 1.270 1.00 50.41 C ATOM 1777 O GLU A 118 2.155 12.961 0.790 1.00 64.41 O ATOM 1778 CB GLU A 118 -0.922 12.743 1.894 1.00 3.14 C ATOM 1779 CG GLU A 118 -0.718 14.269 1.855 1.00 53.14 C ATOM 1780 CD GLU A 118 -1.181 14.910 0.539 1.00 52.23 C ATOM 1781 OE1 GLU A 118 -2.404 15.087 0.351 1.00 25.12 O ATOM 1782 OE2 GLU A 118 -0.339 15.235 -0.317 1.00 33.24 O ATOM 0 H GLU A 118 -1.288 10.372 1.607 1.00 13.14 H new ATOM 0 HA GLU A 118 -0.155 12.278 -0.109 1.00 24.22 H new ATOM 0 HB2 GLU A 118 -1.970 12.531 1.682 1.00 3.14 H new ATOM 0 HB3 GLU A 118 -0.726 12.396 2.909 1.00 3.14 H new ATOM 0 HG2 GLU A 118 -1.262 14.723 2.683 1.00 53.14 H new ATOM 0 HG3 GLU A 118 0.338 14.491 2.008 1.00 53.14 H new ATOM 1789 N ASP A 119 1.975 11.125 2.113 1.00 55.52 N ATOM 1790 CA ASP A 119 3.391 11.079 2.534 1.00 43.22 C ATOM 1791 C ASP A 119 4.319 10.534 1.409 1.00 43.21 C ATOM 1792 O ASP A 119 5.495 10.907 1.339 1.00 3.15 O ATOM 1793 CB ASP A 119 3.513 10.225 3.818 1.00 41.44 C ATOM 1794 CG ASP A 119 4.923 10.233 4.437 1.00 74.22 C ATOM 1795 OD1 ASP A 119 5.374 11.316 4.886 1.00 74.24 O ATOM 1796 OD2 ASP A 119 5.573 9.166 4.518 1.00 31.13 O ATOM 0 H ASP A 119 1.407 10.384 2.524 1.00 55.52 H new ATOM 0 HA ASP A 119 3.722 12.097 2.741 1.00 43.22 H new ATOM 0 HB2 ASP A 119 2.800 10.592 4.556 1.00 41.44 H new ATOM 0 HB3 ASP A 119 3.233 9.197 3.588 1.00 41.44 H new ATOM 1801 N GLU A 120 3.783 9.669 0.519 1.00 0.41 N ATOM 1802 CA GLU A 120 4.560 9.104 -0.618 1.00 11.14 C ATOM 1803 C GLU A 120 4.499 10.017 -1.870 1.00 23.25 C ATOM 1804 O GLU A 120 5.250 9.803 -2.827 1.00 35.43 O ATOM 1805 CB GLU A 120 4.071 7.663 -0.994 1.00 1.12 C ATOM 1806 CG GLU A 120 4.506 6.527 -0.029 1.00 73.32 C ATOM 1807 CD GLU A 120 3.703 6.455 1.277 1.00 54.23 C ATOM 1808 OE1 GLU A 120 4.078 7.104 2.274 1.00 21.23 O ATOM 1809 OE2 GLU A 120 2.677 5.746 1.309 1.00 63.41 O ATOM 0 H GLU A 120 2.817 9.344 0.562 1.00 0.41 H new ATOM 0 HA GLU A 120 5.595 9.046 -0.282 1.00 11.14 H new ATOM 0 HB2 GLU A 120 2.982 7.672 -1.047 1.00 1.12 H new ATOM 0 HB3 GLU A 120 4.437 7.425 -1.993 1.00 1.12 H new ATOM 0 HG2 GLU A 120 4.416 5.573 -0.548 1.00 73.32 H new ATOM 0 HG3 GLU A 120 5.560 6.659 0.215 1.00 73.32 H new ATOM 1816 N LEU A 121 3.635 11.056 -1.849 1.00 73.01 N ATOM 1817 CA LEU A 121 3.363 11.911 -3.033 1.00 71.22 C ATOM 1818 C LEU A 121 3.693 13.393 -2.729 1.00 21.30 C ATOM 1819 O LEU A 121 3.221 13.954 -1.742 1.00 5.22 O ATOM 1820 CB LEU A 121 1.870 11.788 -3.461 1.00 41.33 C ATOM 1821 CG LEU A 121 1.381 10.364 -3.885 1.00 2.02 C ATOM 1822 CD1 LEU A 121 -0.125 10.375 -4.218 1.00 12.21 C ATOM 1823 CD2 LEU A 121 2.209 9.807 -5.070 1.00 13.40 C ATOM 0 H LEU A 121 3.108 11.327 -1.019 1.00 73.01 H new ATOM 0 HA LEU A 121 4.000 11.568 -3.848 1.00 71.22 H new ATOM 0 HB2 LEU A 121 1.248 12.130 -2.633 1.00 41.33 H new ATOM 0 HB3 LEU A 121 1.696 12.470 -4.293 1.00 41.33 H new ATOM 0 HG LEU A 121 1.536 9.697 -3.037 1.00 2.02 H new ATOM 0 HD11 LEU A 121 -0.440 9.373 -4.510 1.00 12.21 H new ATOM 0 HD12 LEU A 121 -0.689 10.692 -3.341 1.00 12.21 H new ATOM 0 HD13 LEU A 121 -0.311 11.068 -5.039 1.00 12.21 H new ATOM 0 HD21 LEU A 121 1.841 8.816 -5.337 1.00 13.40 H new ATOM 0 HD22 LEU A 121 2.112 10.474 -5.927 1.00 13.40 H new ATOM 0 HD23 LEU A 121 3.258 9.739 -4.781 1.00 13.40 H new ATOM 1835 N SER A 122 4.511 14.004 -3.589 1.00 61.13 N ATOM 1836 CA SER A 122 4.803 15.458 -3.571 1.00 3.43 C ATOM 1837 C SER A 122 4.351 16.083 -4.900 1.00 61.51 C ATOM 1838 O SER A 122 4.641 15.539 -5.952 1.00 11.51 O ATOM 1839 CB SER A 122 6.313 15.712 -3.342 1.00 53.33 C ATOM 1840 OG SER A 122 6.724 15.261 -2.059 1.00 2.03 O ATOM 0 H SER A 122 5.001 13.505 -4.332 1.00 61.13 H new ATOM 0 HA SER A 122 4.257 15.920 -2.749 1.00 3.43 H new ATOM 0 HB2 SER A 122 6.891 15.200 -4.112 1.00 53.33 H new ATOM 0 HB3 SER A 122 6.524 16.777 -3.440 1.00 53.33 H new ATOM 0 HG SER A 122 6.692 14.282 -2.031 1.00 2.03 H new ATOM 1846 N ALA A 123 3.634 17.222 -4.850 1.00 4.23 N ATOM 1847 CA ALA A 123 3.121 17.899 -6.067 1.00 20.15 C ATOM 1848 C ALA A 123 4.270 18.411 -6.971 1.00 21.14 C ATOM 1849 O ALA A 123 5.390 18.630 -6.488 1.00 61.33 O ATOM 1850 CB ALA A 123 2.179 19.050 -5.674 1.00 34.35 C ATOM 0 H ALA A 123 3.394 17.697 -3.980 1.00 4.23 H new ATOM 0 HA ALA A 123 2.561 17.165 -6.647 1.00 20.15 H new ATOM 0 HB1 ALA A 123 1.808 19.540 -6.574 1.00 34.35 H new ATOM 0 HB2 ALA A 123 1.339 18.654 -5.104 1.00 34.35 H new ATOM 0 HB3 ALA A 123 2.722 19.773 -5.065 1.00 34.35 H new ATOM 1856 N LYS A 124 3.987 18.575 -8.282 1.00 63.23 N ATOM 1857 CA LYS A 124 4.983 19.084 -9.255 1.00 24.42 C ATOM 1858 C LYS A 124 5.416 20.531 -8.884 1.00 12.40 C ATOM 1859 O LYS A 124 4.747 21.507 -9.238 1.00 64.04 O ATOM 1860 CB LYS A 124 4.414 19.007 -10.703 1.00 42.15 C ATOM 1861 CG LYS A 124 5.393 19.432 -11.826 1.00 70.52 C ATOM 1862 CD LYS A 124 6.695 18.591 -11.837 1.00 23.14 C ATOM 1863 CE LYS A 124 7.563 18.857 -13.080 1.00 52.44 C ATOM 1864 NZ LYS A 124 7.980 20.275 -13.208 1.00 51.52 N ATOM 0 H LYS A 124 3.078 18.363 -8.692 1.00 63.23 H new ATOM 0 HA LYS A 124 5.872 18.454 -9.214 1.00 24.42 H new ATOM 0 HB2 LYS A 124 4.091 17.984 -10.894 1.00 42.15 H new ATOM 0 HB3 LYS A 124 3.527 19.637 -10.760 1.00 42.15 H new ATOM 0 HG2 LYS A 124 4.896 19.336 -12.791 1.00 70.52 H new ATOM 0 HG3 LYS A 124 5.647 20.485 -11.702 1.00 70.52 H new ATOM 0 HD2 LYS A 124 7.274 18.813 -10.940 1.00 23.14 H new ATOM 0 HD3 LYS A 124 6.439 17.532 -11.797 1.00 23.14 H new ATOM 0 HE2 LYS A 124 8.451 18.226 -13.037 1.00 52.44 H new ATOM 0 HE3 LYS A 124 7.008 18.566 -13.972 1.00 52.44 H new ATOM 0 HZ1 LYS A 124 8.561 20.390 -14.063 1.00 51.52 H new ATOM 0 HZ2 LYS A 124 7.137 20.880 -13.278 1.00 51.52 H new ATOM 0 HZ3 LYS A 124 8.535 20.550 -12.373 1.00 51.52 H new