USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 992 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 80 MET CE :methyl -162:sc= -0.14 (180deg=-1.06) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 155:sc= -0.0101 (180deg=0) USER MOD Set 2.1: A 27 MET CE :methyl -171:sc= -0.46 (180deg=-0.536) USER MOD Set 2.2: A 41 ASN : amide:sc= -8.59! C(o=-13!,f=-16!) USER MOD Set 2.3: A 93 TYR OH : rot 19:sc= -3.71! USER MOD Set 3.1: A 84 THR OG1 : rot -58:sc= -0.558! USER MOD Set 3.2: A 85 SER OG : rot -99:sc= -0.341! USER MOD Set 4.1: A 17 GLN : amide:sc= -6.67! C(o=-11!,f=-18!) USER MOD Set 4.2: A 45 HIS :FLIP no HD1:sc= -1.58 F(o=-14,f=-11) USER MOD Set 4.3: A 79 THR OG1 : rot 60:sc= -3.14! USER MOD Set 5.1: A 57 THR OG1 : rot 117:sc= -0.57! USER MOD Set 5.2: A 73 HIS : no HE2:sc= -2.03! C(o=-2.6!,f=-15!) USER MOD Set 6.1: A 28 LYS NZ :NH3+ 148:sc= 0.443 (180deg=0.512) USER MOD Set 6.2: A 31 ASN :FLIP amide:sc= -5.22! C(o=-6.6!,f=-4.8!) USER MOD Set 7.1: A 15 HIS :FLIP no HE2:sc= -10.8! C(o=-14!,f=-12!) USER MOD Set 7.2: A 42 THR OG1 : rot 180:sc= -0.791 USER MOD Set 8.1: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.2: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -100:sc= -3.01! USER MOD Single : A 7 SER OG : rot 180:sc=-0.00435 USER MOD Single : A 8 SER OG : rot 14:sc= -8.96! USER MOD Single : A 9 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.4) USER MOD Single : A 14 GLN : amide:sc= -10.3! C(o=-10!,f=-15!) USER MOD Single : A 19 SER OG : rot -68:sc= 1.01 USER MOD Single : A 21 GLN :FLIP amide:sc= -2.08! C(o=-2.8!,f=-2.1!) USER MOD Single : A 24 ASN : amide:sc= -0.305 K(o=-0.3,f=-1.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -1.14 F(o=-2.3!,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -4.68! (180deg=-5.2!) USER MOD Single : A 33 HIS : no HD1:sc= -3.53! C(o=-3.5!,f=-3.9!) USER MOD Single : A 34 THR OG1 : rot -87:sc= 0.0842! USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= -0.0153 (180deg=-0.512) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.226 (180deg=-0.598) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 157:sc= -2.13! USER MOD Single : A 54 THR OG1 : rot 58:sc= -0.316 USER MOD Single : A 56 GLN :FLIP amide:sc= -4.18! C(o=-4.8!,f=-4.2!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.0514 (180deg=-0.652) USER MOD Single : A 64 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.3) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.212 (180deg=-0.938) USER MOD Single : A 68 ASN : amide:sc= -0.575 X(o=-0.57,f=-0.57) USER MOD Single : A 70 HIS :FLIP no HE2:sc= -21.7! C(o=-23!,f=-22!) USER MOD Single : A 71 GLN : amide:sc= -3.19! C(o=-3.2!,f=-5.3!) USER MOD Single : A 72 SER OG : rot -162:sc= -2.03! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 148:sc= -0.284 (180deg=-1.19!) USER MOD Single : A 88 TYR OH : rot 21:sc= -0.682 USER MOD Single : A 90 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.21) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.119) USER MOD Single : A 98 GLN : amide:sc= -8.9! C(o=-8.9!,f=-12!) USER MOD Single : A 99 ASN : amide:sc= -1.58! C(o=-1.6!,f=-1.2!) USER MOD Single : A 100 LYS NZ :NH3+ 152:sc= -6.19! (180deg=-9.35!) USER MOD Single : A 101 SER OG : rot 180:sc= -3.01! USER MOD Single : A 102 TYR OH : rot 165:sc= -0.843 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc=-0.00392 X(o=-0.0039,f=-0.027) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 142:sc= -0.188 (180deg=-1.16) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= 1.29 F(o=0,f=1.3) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.65) USER MOD Single : A 123 HIS : no HD1:sc= -0.502 K(o=-0.5,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 85 N MET A 5 102.206 5.858 13.510 1.00 0.00 N ATOM 86 CA MET A 5 101.942 5.537 12.080 1.00 0.00 C ATOM 87 C MET A 5 102.706 6.513 11.186 1.00 0.00 C ATOM 88 O MET A 5 102.131 7.169 10.340 1.00 0.00 O ATOM 89 CB MET A 5 100.444 5.662 11.795 1.00 0.00 C ATOM 90 CG MET A 5 99.653 4.931 12.879 1.00 0.00 C ATOM 91 SD MET A 5 97.921 4.793 12.373 1.00 0.00 S ATOM 92 CE MET A 5 97.261 4.252 13.969 1.00 0.00 C ATOM 0 HA MET A 5 102.271 4.518 11.874 1.00 0.00 H new ATOM 0 HB2 MET A 5 100.155 6.713 11.766 1.00 0.00 H new ATOM 0 HB3 MET A 5 100.213 5.241 10.816 1.00 0.00 H new ATOM 0 HG2 MET A 5 100.074 3.940 13.045 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.725 5.471 13.823 1.00 0.00 H new ATOM 0 HE1 MET A 5 96.184 4.103 13.886 1.00 0.00 H new ATOM 0 HE2 MET A 5 97.736 3.315 14.260 1.00 0.00 H new ATOM 0 HE3 MET A 5 97.465 5.012 14.723 1.00 0.00 H new ATOM 102 N THR A 6 103.999 6.608 11.353 1.00 0.00 N ATOM 103 CA THR A 6 104.791 7.534 10.494 1.00 0.00 C ATOM 104 C THR A 6 104.339 7.358 9.040 1.00 0.00 C ATOM 105 O THR A 6 103.714 6.377 8.694 1.00 0.00 O ATOM 106 CB THR A 6 106.285 7.203 10.634 1.00 0.00 C ATOM 107 OG1 THR A 6 106.809 7.886 11.764 1.00 0.00 O ATOM 108 CG2 THR A 6 107.052 7.644 9.385 1.00 0.00 C ATOM 0 H THR A 6 104.538 6.086 12.044 1.00 0.00 H new ATOM 0 HA THR A 6 104.632 8.568 10.800 1.00 0.00 H new ATOM 0 HB THR A 6 106.397 6.126 10.756 1.00 0.00 H new ATOM 0 HG1 THR A 6 107.283 8.691 11.469 1.00 0.00 H new ATOM 0 HG21 THR A 6 108.108 7.402 9.502 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.655 7.125 8.512 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.939 8.720 9.250 1.00 0.00 H new ATOM 116 N SER A 7 104.641 8.295 8.188 1.00 0.00 N ATOM 117 CA SER A 7 104.217 8.168 6.764 1.00 0.00 C ATOM 118 C SER A 7 104.559 6.764 6.257 1.00 0.00 C ATOM 119 O SER A 7 103.701 6.021 5.824 1.00 0.00 O ATOM 120 CB SER A 7 104.952 9.210 5.921 1.00 0.00 C ATOM 121 OG SER A 7 104.625 10.511 6.394 1.00 0.00 O ATOM 0 H SER A 7 105.162 9.142 8.413 1.00 0.00 H new ATOM 0 HA SER A 7 103.142 8.331 6.685 1.00 0.00 H new ATOM 0 HB2 SER A 7 106.028 9.049 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 7 104.671 9.110 4.872 1.00 0.00 H new ATOM 0 HG SER A 7 105.096 11.182 5.857 1.00 0.00 H new ATOM 127 N SER A 8 105.809 6.398 6.310 1.00 0.00 N ATOM 128 CA SER A 8 106.218 5.045 5.836 1.00 0.00 C ATOM 129 C SER A 8 105.570 3.969 6.700 1.00 0.00 C ATOM 130 O SER A 8 105.301 2.881 6.242 1.00 0.00 O ATOM 131 CB SER A 8 107.732 4.914 5.926 1.00 0.00 C ATOM 132 OG SER A 8 108.328 5.706 4.908 1.00 0.00 O ATOM 0 H SER A 8 106.569 6.980 6.663 1.00 0.00 H new ATOM 0 HA SER A 8 105.895 4.918 4.803 1.00 0.00 H new ATOM 0 HB2 SER A 8 108.080 5.238 6.907 1.00 0.00 H new ATOM 0 HB3 SER A 8 108.027 3.871 5.812 1.00 0.00 H new ATOM 0 HG SER A 8 107.659 6.317 4.535 1.00 0.00 H new ATOM 138 N GLN A 9 105.321 4.254 7.943 1.00 0.00 N ATOM 139 CA GLN A 9 104.690 3.227 8.813 1.00 0.00 C ATOM 140 C GLN A 9 103.277 2.946 8.309 1.00 0.00 C ATOM 141 O GLN A 9 102.902 1.817 8.085 1.00 0.00 O ATOM 142 CB GLN A 9 104.637 3.739 10.249 1.00 0.00 C ATOM 143 CG GLN A 9 105.970 3.452 10.939 1.00 0.00 C ATOM 144 CD GLN A 9 106.013 1.991 11.390 1.00 0.00 C ATOM 145 OE1 GLN A 9 105.106 1.518 12.046 1.00 0.00 O ATOM 146 NE2 GLN A 9 107.037 1.250 11.065 1.00 0.00 N ATOM 0 H GLN A 9 105.525 5.146 8.393 1.00 0.00 H new ATOM 0 HA GLN A 9 105.275 2.308 8.785 1.00 0.00 H new ATOM 0 HB2 GLN A 9 104.433 4.810 10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 9 103.823 3.255 10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 9 106.795 3.656 10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 9 106.095 4.112 11.798 1.00 0.00 H new ATOM 0 HE21 GLN A 9 107.799 1.646 10.514 1.00 0.00 H new ATOM 0 HE22 GLN A 9 107.075 0.275 11.362 1.00 0.00 H new ATOM 155 N TRP A 10 102.491 3.962 8.112 1.00 0.00 N ATOM 156 CA TRP A 10 101.112 3.736 7.607 1.00 0.00 C ATOM 157 C TRP A 10 101.204 3.035 6.250 1.00 0.00 C ATOM 158 O TRP A 10 100.384 2.210 5.892 1.00 0.00 O ATOM 159 CB TRP A 10 100.395 5.092 7.474 1.00 0.00 C ATOM 160 CG TRP A 10 99.518 5.116 6.258 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.529 6.089 5.319 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.507 4.153 5.837 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.592 5.785 4.348 1.00 0.00 N ATOM 164 CE2 TRP A 10 97.938 4.602 4.621 1.00 0.00 C ATOM 165 CE3 TRP A 10 98.033 2.946 6.382 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.937 3.879 3.972 1.00 0.00 C ATOM 167 CZ3 TRP A 10 97.028 2.215 5.730 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.483 2.681 4.529 1.00 0.00 C ATOM 0 H TRP A 10 102.742 4.937 8.278 1.00 0.00 H new ATOM 0 HA TRP A 10 100.544 3.111 8.296 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.795 5.279 8.364 1.00 0.00 H new ATOM 0 HB3 TRP A 10 101.132 5.893 7.412 1.00 0.00 H new ATOM 0 HD1 TRP A 10 100.166 6.961 5.326 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.407 6.365 3.530 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.446 2.579 7.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.516 4.243 3.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.674 1.289 6.157 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.710 2.114 4.032 1.00 0.00 H new ATOM 179 N PHE A 11 102.205 3.360 5.494 1.00 0.00 N ATOM 180 CA PHE A 11 102.358 2.732 4.153 1.00 0.00 C ATOM 181 C PHE A 11 102.977 1.342 4.269 1.00 0.00 C ATOM 182 O PHE A 11 102.973 0.585 3.326 1.00 0.00 O ATOM 183 CB PHE A 11 103.217 3.625 3.249 1.00 0.00 C ATOM 184 CG PHE A 11 102.372 4.063 2.079 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.545 5.182 2.202 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.402 3.338 0.883 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.745 5.580 1.129 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.604 3.737 -0.192 1.00 0.00 C ATOM 189 CZ PHE A 11 100.773 4.858 -0.071 1.00 0.00 C ATOM 0 H PHE A 11 102.928 4.035 5.743 1.00 0.00 H new ATOM 0 HA PHE A 11 101.368 2.625 3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.578 4.492 3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 11 104.095 3.081 2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.524 5.739 3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 11 103.041 2.472 0.791 1.00 0.00 H new ATOM 0 HE1 PHE A 11 100.105 6.444 1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.628 3.181 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 11 100.155 5.165 -0.902 1.00 0.00 H new ATOM 199 N LYS A 12 103.490 0.977 5.407 1.00 0.00 N ATOM 200 CA LYS A 12 104.062 -0.391 5.532 1.00 0.00 C ATOM 201 C LYS A 12 102.916 -1.322 5.922 1.00 0.00 C ATOM 202 O LYS A 12 102.890 -2.481 5.596 1.00 0.00 O ATOM 203 CB LYS A 12 105.195 -0.413 6.577 1.00 0.00 C ATOM 204 CG LYS A 12 104.638 -0.520 8.008 1.00 0.00 C ATOM 205 CD LYS A 12 104.557 -1.986 8.454 1.00 0.00 C ATOM 206 CE LYS A 12 104.558 -2.057 9.983 1.00 0.00 C ATOM 207 NZ LYS A 12 104.368 -3.470 10.415 1.00 0.00 N ATOM 0 H LYS A 12 103.539 1.556 6.246 1.00 0.00 H new ATOM 0 HA LYS A 12 104.505 -0.718 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.858 -1.255 6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.794 0.493 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.275 0.039 8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.648 -0.067 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.652 -2.448 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.402 -2.546 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 12 105.498 -1.669 10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 12 103.762 -1.432 10.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 104.369 -3.518 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 103.460 -3.825 10.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 105.142 -4.055 10.041 1.00 0.00 H new ATOM 221 N ILE A 13 101.932 -0.801 6.567 1.00 0.00 N ATOM 222 CA ILE A 13 100.761 -1.643 6.925 1.00 0.00 C ATOM 223 C ILE A 13 99.861 -1.681 5.699 1.00 0.00 C ATOM 224 O ILE A 13 99.018 -2.542 5.544 1.00 0.00 O ATOM 225 CB ILE A 13 100.011 -1.042 8.126 1.00 0.00 C ATOM 226 CG1 ILE A 13 100.004 0.490 8.025 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.701 -1.478 9.425 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.733 1.122 9.398 1.00 0.00 C ATOM 0 H ILE A 13 101.879 0.172 6.867 1.00 0.00 H new ATOM 0 HA ILE A 13 101.075 -2.647 7.211 1.00 0.00 H new ATOM 0 HB ILE A 13 98.981 -1.399 8.126 1.00 0.00 H new ATOM 0 HG12 ILE A 13 100.963 0.839 7.641 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.241 0.809 7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.172 -1.054 10.278 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.690 -2.566 9.496 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.732 -1.125 9.425 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.732 2.208 9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 13 98.763 0.789 9.767 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.511 0.819 10.098 1.00 0.00 H new ATOM 240 N GLN A 14 100.055 -0.735 4.821 1.00 0.00 N ATOM 241 CA GLN A 14 99.246 -0.665 3.578 1.00 0.00 C ATOM 242 C GLN A 14 100.062 -1.212 2.385 1.00 0.00 C ATOM 243 O GLN A 14 99.533 -1.410 1.310 1.00 0.00 O ATOM 244 CB GLN A 14 98.874 0.814 3.336 1.00 0.00 C ATOM 245 CG GLN A 14 99.464 1.311 2.021 1.00 0.00 C ATOM 246 CD GLN A 14 99.169 2.803 1.858 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.459 3.591 2.736 1.00 0.00 O ATOM 248 NE2 GLN A 14 98.598 3.227 0.764 1.00 0.00 N ATOM 0 H GLN A 14 100.752 0.003 4.917 1.00 0.00 H new ATOM 0 HA GLN A 14 98.344 -1.269 3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.790 0.923 3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.242 1.426 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.540 1.139 2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 14 99.040 0.753 1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 14 98.354 2.566 0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 14 98.395 4.220 0.646 1.00 0.00 H new ATOM 257 N HIS A 15 101.353 -1.409 2.542 1.00 0.00 N ATOM 258 CA HIS A 15 102.179 -1.873 1.381 1.00 0.00 C ATOM 259 C HIS A 15 103.408 -2.686 1.834 1.00 0.00 C ATOM 260 O HIS A 15 104.381 -2.785 1.113 1.00 0.00 O ATOM 261 CB HIS A 15 102.667 -0.625 0.630 1.00 0.00 C ATOM 262 CG HIS A 15 102.056 -0.572 -0.744 1.00 0.00 C ATOM 263 ND1 HIS A 15 100.784 -0.283 -1.169 1.00 0.00 N flip ATOM 264 CD2 HIS A 15 102.790 -0.832 -1.892 1.00 0.00 C flip ATOM 265 CE1 HIS A 15 100.729 -0.360 -2.555 1.00 0.00 C flip ATOM 266 NE2 HIS A 15 101.961 -0.694 -2.943 1.00 0.00 N flip ATOM 0 H HIS A 15 101.864 -1.270 3.414 1.00 0.00 H new ATOM 0 HA HIS A 15 101.567 -2.519 0.751 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.400 0.272 1.189 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.754 -0.641 0.552 1.00 0.00 H new ATOM 0 HD1 HIS A 15 100.000 -0.048 -0.561 1.00 0.00 H new ATOM 0 HD2 HIS A 15 103.836 -1.097 -1.935 1.00 0.00 H new ATOM 0 HE1 HIS A 15 99.870 -0.186 -3.186 1.00 0.00 H new ATOM 275 N MET A 16 103.384 -3.273 2.997 1.00 0.00 N ATOM 276 CA MET A 16 104.572 -4.074 3.449 1.00 0.00 C ATOM 277 C MET A 16 104.324 -5.560 3.201 1.00 0.00 C ATOM 278 O MET A 16 103.319 -6.110 3.603 1.00 0.00 O ATOM 279 CB MET A 16 104.834 -3.855 4.950 1.00 0.00 C ATOM 280 CG MET A 16 103.876 -4.709 5.796 1.00 0.00 C ATOM 281 SD MET A 16 104.544 -6.385 5.972 1.00 0.00 S ATOM 282 CE MET A 16 105.033 -6.265 7.711 1.00 0.00 C ATOM 0 H MET A 16 102.605 -3.238 3.654 1.00 0.00 H new ATOM 0 HA MET A 16 105.441 -3.743 2.881 1.00 0.00 H new ATOM 0 HB2 MET A 16 105.866 -4.114 5.186 1.00 0.00 H new ATOM 0 HB3 MET A 16 104.705 -2.801 5.197 1.00 0.00 H new ATOM 0 HG2 MET A 16 103.741 -4.256 6.778 1.00 0.00 H new ATOM 0 HG3 MET A 16 102.894 -4.746 5.324 1.00 0.00 H new ATOM 0 HE1 MET A 16 105.476 -7.208 8.030 1.00 0.00 H new ATOM 0 HE2 MET A 16 105.762 -5.463 7.830 1.00 0.00 H new ATOM 0 HE3 MET A 16 104.156 -6.051 8.322 1.00 0.00 H new ATOM 292 N GLN A 17 105.246 -6.219 2.555 1.00 0.00 N ATOM 293 CA GLN A 17 105.080 -7.673 2.303 1.00 0.00 C ATOM 294 C GLN A 17 105.999 -8.507 3.226 1.00 0.00 C ATOM 295 O GLN A 17 105.814 -9.702 3.343 1.00 0.00 O ATOM 296 CB GLN A 17 105.402 -7.985 0.841 1.00 0.00 C ATOM 297 CG GLN A 17 104.831 -9.359 0.483 1.00 0.00 C ATOM 298 CD GLN A 17 105.711 -10.023 -0.577 1.00 0.00 C ATOM 299 OE1 GLN A 17 106.068 -9.406 -1.561 1.00 0.00 O ATOM 300 NE2 GLN A 17 106.076 -11.266 -0.419 1.00 0.00 N ATOM 0 H GLN A 17 106.107 -5.811 2.191 1.00 0.00 H new ATOM 0 HA GLN A 17 104.045 -7.939 2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.976 -7.220 0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.480 -7.974 0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.782 -9.986 1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.812 -9.254 0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 17 105.777 -11.784 0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.661 -11.719 -1.121 1.00 0.00 H new ATOM 309 N PRO A 18 106.978 -7.916 3.892 1.00 0.00 N ATOM 310 CA PRO A 18 107.877 -8.688 4.795 1.00 0.00 C ATOM 311 C PRO A 18 107.093 -9.681 5.659 1.00 0.00 C ATOM 312 O PRO A 18 107.618 -10.685 6.097 1.00 0.00 O ATOM 313 CB PRO A 18 108.536 -7.614 5.664 1.00 0.00 C ATOM 314 CG PRO A 18 108.541 -6.377 4.824 1.00 0.00 C ATOM 315 CD PRO A 18 107.341 -6.485 3.875 1.00 0.00 C ATOM 0 HA PRO A 18 108.598 -9.290 4.242 1.00 0.00 H new ATOM 0 HB2 PRO A 18 107.980 -7.460 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.549 -7.902 5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 18 108.463 -5.486 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 18 109.472 -6.294 4.263 1.00 0.00 H new ATOM 0 HD2 PRO A 18 106.512 -5.862 4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.600 -6.154 2.869 1.00 0.00 H new ATOM 323 N SER A 19 105.835 -9.403 5.898 1.00 0.00 N ATOM 324 CA SER A 19 104.994 -10.320 6.728 1.00 0.00 C ATOM 325 C SER A 19 103.796 -9.541 7.284 1.00 0.00 C ATOM 326 O SER A 19 103.700 -9.299 8.470 1.00 0.00 O ATOM 327 CB SER A 19 105.820 -10.879 7.892 1.00 0.00 C ATOM 328 OG SER A 19 104.963 -11.144 8.995 1.00 0.00 O ATOM 0 H SER A 19 105.352 -8.574 5.551 1.00 0.00 H new ATOM 0 HA SER A 19 104.645 -11.146 6.109 1.00 0.00 H new ATOM 0 HB2 SER A 19 106.329 -11.793 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 19 106.592 -10.165 8.180 1.00 0.00 H new ATOM 0 HG SER A 19 104.622 -10.299 9.355 1.00 0.00 H new ATOM 334 N PRO A 20 102.890 -9.151 6.427 1.00 0.00 N ATOM 335 CA PRO A 20 101.676 -8.388 6.827 1.00 0.00 C ATOM 336 C PRO A 20 100.557 -9.305 7.331 1.00 0.00 C ATOM 337 O PRO A 20 99.674 -8.877 8.042 1.00 0.00 O ATOM 338 CB PRO A 20 101.261 -7.697 5.531 1.00 0.00 C ATOM 339 CG PRO A 20 101.706 -8.618 4.439 1.00 0.00 C ATOM 340 CD PRO A 20 102.921 -9.392 4.975 1.00 0.00 C ATOM 0 HA PRO A 20 101.871 -7.701 7.650 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.183 -7.537 5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.732 -6.718 5.438 1.00 0.00 H new ATOM 0 HG2 PRO A 20 100.905 -9.302 4.160 1.00 0.00 H new ATOM 0 HG3 PRO A 20 101.971 -8.056 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 20 102.849 -10.455 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 20 103.850 -9.033 4.531 1.00 0.00 H new ATOM 348 N GLN A 21 100.607 -10.561 6.955 1.00 0.00 N ATOM 349 CA GLN A 21 99.571 -11.565 7.378 1.00 0.00 C ATOM 350 C GLN A 21 98.560 -11.763 6.247 1.00 0.00 C ATOM 351 O GLN A 21 97.366 -11.680 6.448 1.00 0.00 O ATOM 352 CB GLN A 21 98.830 -11.117 8.648 1.00 0.00 C ATOM 353 CG GLN A 21 99.835 -10.850 9.783 1.00 0.00 C ATOM 354 CD GLN A 21 99.439 -9.579 10.540 1.00 0.00 C ATOM 355 OE1 GLN A 21 100.224 -8.537 10.498 1.00 0.00 O flip ATOM 356 NE2 GLN A 21 98.404 -9.534 11.176 1.00 0.00 N flip ATOM 0 H GLN A 21 101.340 -10.944 6.358 1.00 0.00 H new ATOM 0 HA GLN A 21 100.083 -12.502 7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.254 -10.215 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 21 98.120 -11.886 8.954 1.00 0.00 H new ATOM 0 HG2 GLN A 21 99.859 -11.699 10.467 1.00 0.00 H new ATOM 0 HG3 GLN A 21 100.839 -10.742 9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 21 97.790 -10.348 11.209 1.00 0.00 H new ATOM 0 HE22 GLN A 21 98.149 -8.682 11.676 1.00 0.00 H new ATOM 365 N ALA A 22 99.036 -12.031 5.060 1.00 0.00 N ATOM 366 CA ALA A 22 98.115 -12.245 3.905 1.00 0.00 C ATOM 367 C ALA A 22 97.574 -10.909 3.422 1.00 0.00 C ATOM 368 O ALA A 22 97.076 -10.116 4.196 1.00 0.00 O ATOM 369 CB ALA A 22 96.930 -13.121 4.326 1.00 0.00 C ATOM 0 H ALA A 22 100.029 -12.111 4.840 1.00 0.00 H new ATOM 0 HA ALA A 22 98.673 -12.736 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.266 -13.269 3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.297 -14.087 4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.383 -12.631 5.131 1.00 0.00 H new ATOM 375 N CYS A 23 97.632 -10.660 2.148 1.00 0.00 N ATOM 376 CA CYS A 23 97.079 -9.386 1.642 1.00 0.00 C ATOM 377 C CYS A 23 95.660 -9.267 2.150 1.00 0.00 C ATOM 378 O CYS A 23 95.156 -8.196 2.376 1.00 0.00 O ATOM 379 CB CYS A 23 97.050 -9.391 0.133 1.00 0.00 C ATOM 380 SG CYS A 23 98.724 -9.662 -0.495 1.00 0.00 S ATOM 0 H CYS A 23 98.035 -11.278 1.444 1.00 0.00 H new ATOM 0 HA CYS A 23 97.696 -8.554 1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.383 -10.174 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.659 -8.444 -0.238 1.00 0.00 H new ATOM 385 N ASN A 24 95.006 -10.369 2.334 1.00 0.00 N ATOM 386 CA ASN A 24 93.619 -10.299 2.846 1.00 0.00 C ATOM 387 C ASN A 24 93.616 -9.424 4.105 1.00 0.00 C ATOM 388 O ASN A 24 92.864 -8.479 4.214 1.00 0.00 O ATOM 389 CB ASN A 24 93.118 -11.706 3.182 1.00 0.00 C ATOM 390 CG ASN A 24 91.826 -11.614 3.998 1.00 0.00 C ATOM 391 OD1 ASN A 24 91.092 -10.652 3.887 1.00 0.00 O ATOM 392 ND2 ASN A 24 91.516 -12.581 4.817 1.00 0.00 N ATOM 0 H ASN A 24 95.366 -11.307 2.155 1.00 0.00 H new ATOM 0 HA ASN A 24 92.959 -9.870 2.092 1.00 0.00 H new ATOM 0 HB2 ASN A 24 92.941 -12.268 2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 24 93.877 -12.248 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 24 90.657 -12.530 5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 24 92.133 -13.388 4.910 1.00 0.00 H new ATOM 399 N SER A 25 94.470 -9.722 5.049 1.00 0.00 N ATOM 400 CA SER A 25 94.519 -8.905 6.300 1.00 0.00 C ATOM 401 C SER A 25 95.312 -7.616 6.053 1.00 0.00 C ATOM 402 O SER A 25 94.987 -6.556 6.560 1.00 0.00 O ATOM 403 CB SER A 25 95.197 -9.712 7.407 1.00 0.00 C ATOM 404 OG SER A 25 94.936 -9.099 8.662 1.00 0.00 O ATOM 0 H SER A 25 95.135 -10.494 5.009 1.00 0.00 H new ATOM 0 HA SER A 25 93.503 -8.649 6.600 1.00 0.00 H new ATOM 0 HB2 SER A 25 94.825 -10.737 7.406 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.271 -9.762 7.230 1.00 0.00 H new ATOM 0 HG SER A 25 95.368 -9.615 9.374 1.00 0.00 H new ATOM 410 N ALA A 26 96.344 -7.694 5.269 1.00 0.00 N ATOM 411 CA ALA A 26 97.151 -6.478 4.981 1.00 0.00 C ATOM 412 C ALA A 26 96.226 -5.419 4.409 1.00 0.00 C ATOM 413 O ALA A 26 96.318 -4.247 4.716 1.00 0.00 O ATOM 414 CB ALA A 26 98.220 -6.827 3.955 1.00 0.00 C ATOM 0 H ALA A 26 96.666 -8.548 4.813 1.00 0.00 H new ATOM 0 HA ALA A 26 97.627 -6.108 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.818 -5.942 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.864 -7.611 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.745 -7.179 3.039 1.00 0.00 H new ATOM 420 N MET A 27 95.331 -5.845 3.577 1.00 0.00 N ATOM 421 CA MET A 27 94.372 -4.911 2.957 1.00 0.00 C ATOM 422 C MET A 27 93.312 -4.549 3.994 1.00 0.00 C ATOM 423 O MET A 27 92.720 -3.489 3.951 1.00 0.00 O ATOM 424 CB MET A 27 93.727 -5.610 1.757 1.00 0.00 C ATOM 425 CG MET A 27 92.811 -4.653 0.978 1.00 0.00 C ATOM 426 SD MET A 27 93.368 -2.943 1.135 1.00 0.00 S ATOM 427 CE MET A 27 91.767 -2.154 0.837 1.00 0.00 C ATOM 0 H MET A 27 95.223 -6.820 3.296 1.00 0.00 H new ATOM 0 HA MET A 27 94.869 -4.001 2.620 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.504 -5.992 1.095 1.00 0.00 H new ATOM 0 HB3 MET A 27 93.151 -6.469 2.101 1.00 0.00 H new ATOM 0 HG2 MET A 27 92.794 -4.938 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 27 91.790 -4.741 1.348 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.906 -1.078 0.730 1.00 0.00 H new ATOM 0 HE2 MET A 27 91.327 -2.556 -0.076 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.102 -2.352 1.678 1.00 0.00 H new ATOM 437 N LYS A 28 93.073 -5.425 4.935 1.00 0.00 N ATOM 438 CA LYS A 28 92.055 -5.124 5.982 1.00 0.00 C ATOM 439 C LYS A 28 92.469 -3.866 6.746 1.00 0.00 C ATOM 440 O LYS A 28 91.638 -3.127 7.232 1.00 0.00 O ATOM 441 CB LYS A 28 91.940 -6.294 6.964 1.00 0.00 C ATOM 442 CG LYS A 28 91.156 -7.445 6.323 1.00 0.00 C ATOM 443 CD LYS A 28 89.684 -7.049 6.115 1.00 0.00 C ATOM 444 CE LYS A 28 89.367 -7.023 4.614 1.00 0.00 C ATOM 445 NZ LYS A 28 87.916 -6.746 4.416 1.00 0.00 N ATOM 0 H LYS A 28 93.536 -6.330 5.023 1.00 0.00 H new ATOM 0 HA LYS A 28 91.090 -4.967 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.934 -6.637 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.440 -5.966 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.606 -7.710 5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.214 -8.329 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 28 89.031 -7.758 6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.494 -6.070 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 28 89.965 -6.258 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.631 -7.978 4.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.782 -6.211 3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.396 -7.645 4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 87.557 -6.188 5.217 1.00 0.00 H new ATOM 459 N ASN A 29 93.741 -3.605 6.859 1.00 0.00 N ATOM 460 CA ASN A 29 94.165 -2.378 7.595 1.00 0.00 C ATOM 461 C ASN A 29 93.772 -1.150 6.769 1.00 0.00 C ATOM 462 O ASN A 29 93.402 -0.111 7.288 1.00 0.00 O ATOM 463 CB ASN A 29 95.682 -2.398 7.796 1.00 0.00 C ATOM 464 CG ASN A 29 96.094 -1.230 8.694 1.00 0.00 C ATOM 465 OD1 ASN A 29 95.731 -0.017 8.375 1.00 0.00 O flip ATOM 466 ND2 ASN A 29 96.752 -1.422 9.697 1.00 0.00 N flip ATOM 0 H ASN A 29 94.496 -4.177 6.481 1.00 0.00 H new ATOM 0 HA ASN A 29 93.678 -2.342 8.569 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.987 -3.342 8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.188 -2.326 6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 29 97.036 -2.369 9.947 1.00 0.00 H new ATOM 0 HD22 ASN A 29 97.020 -0.636 10.289 1.00 0.00 H new ATOM 473 N ILE A 30 93.849 -1.270 5.480 1.00 0.00 N ATOM 474 CA ILE A 30 93.493 -0.133 4.595 1.00 0.00 C ATOM 475 C ILE A 30 91.970 0.011 4.527 1.00 0.00 C ATOM 476 O ILE A 30 91.446 1.102 4.442 1.00 0.00 O ATOM 477 CB ILE A 30 94.054 -0.414 3.201 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.432 -1.074 3.358 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.169 0.889 2.385 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.151 -1.117 2.009 1.00 0.00 C ATOM 0 H ILE A 30 94.147 -2.116 4.995 1.00 0.00 H new ATOM 0 HA ILE A 30 93.913 0.794 4.985 1.00 0.00 H new ATOM 0 HB ILE A 30 93.381 -1.081 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 30 96.030 -0.518 4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.317 -2.085 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.570 0.665 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.183 1.342 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.835 1.582 2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.127 -1.587 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.558 -1.693 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.282 -0.102 1.634 1.00 0.00 H new ATOM 492 N ASN A 31 91.256 -1.080 4.570 1.00 0.00 N ATOM 493 CA ASN A 31 89.768 -0.998 4.513 1.00 0.00 C ATOM 494 C ASN A 31 89.251 -0.464 5.846 1.00 0.00 C ATOM 495 O ASN A 31 88.124 -0.027 5.960 1.00 0.00 O ATOM 496 CB ASN A 31 89.185 -2.393 4.229 1.00 0.00 C ATOM 497 CG ASN A 31 88.729 -3.070 5.528 1.00 0.00 C ATOM 498 OD1 ASN A 31 89.452 -2.951 6.605 1.00 0.00 O flip ATOM 499 ND2 ASN A 31 87.699 -3.715 5.558 1.00 0.00 N flip ATOM 0 H ASN A 31 91.637 -2.023 4.642 1.00 0.00 H new ATOM 0 HA ASN A 31 89.460 -0.325 3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.342 -2.307 3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.935 -3.011 3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 31 87.132 -3.809 4.716 1.00 0.00 H new ATOM 0 HD22 ASN A 31 87.402 -4.162 6.426 1.00 0.00 H new ATOM 506 N LYS A 32 90.071 -0.485 6.857 1.00 0.00 N ATOM 507 CA LYS A 32 89.620 0.027 8.176 1.00 0.00 C ATOM 508 C LYS A 32 89.804 1.543 8.199 1.00 0.00 C ATOM 509 O LYS A 32 89.002 2.267 8.756 1.00 0.00 O ATOM 510 CB LYS A 32 90.423 -0.658 9.300 1.00 0.00 C ATOM 511 CG LYS A 32 91.746 0.078 9.579 1.00 0.00 C ATOM 512 CD LYS A 32 91.577 1.026 10.771 1.00 0.00 C ATOM 513 CE LYS A 32 92.917 1.691 11.089 1.00 0.00 C ATOM 514 NZ LYS A 32 93.277 2.634 9.992 1.00 0.00 N ATOM 0 H LYS A 32 91.029 -0.833 6.827 1.00 0.00 H new ATOM 0 HA LYS A 32 88.566 -0.200 8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.824 -0.688 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 32 90.632 -1.691 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.536 -0.643 9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 32 92.052 0.641 8.697 1.00 0.00 H new ATOM 0 HD2 LYS A 32 90.828 1.784 10.543 1.00 0.00 H new ATOM 0 HD3 LYS A 32 91.218 0.474 11.640 1.00 0.00 H new ATOM 0 HE2 LYS A 32 92.854 2.226 12.037 1.00 0.00 H new ATOM 0 HE3 LYS A 32 93.693 0.934 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.015 3.287 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 93.632 2.097 9.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 92.436 3.176 9.710 1.00 0.00 H new ATOM 528 N HIS A 33 90.852 2.031 7.592 1.00 0.00 N ATOM 529 CA HIS A 33 91.078 3.504 7.576 1.00 0.00 C ATOM 530 C HIS A 33 90.377 4.130 6.358 1.00 0.00 C ATOM 531 O HIS A 33 90.111 5.316 6.332 1.00 0.00 O ATOM 532 CB HIS A 33 92.591 3.780 7.546 1.00 0.00 C ATOM 533 CG HIS A 33 92.975 4.496 6.281 1.00 0.00 C ATOM 534 ND1 HIS A 33 92.835 5.869 6.131 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.503 4.041 5.102 1.00 0.00 C ATOM 536 CE1 HIS A 33 93.272 6.188 4.899 1.00 0.00 C ATOM 537 NE2 HIS A 33 93.689 5.110 4.233 1.00 0.00 N ATOM 0 H HIS A 33 91.558 1.476 7.109 1.00 0.00 H new ATOM 0 HA HIS A 33 90.656 3.955 8.474 1.00 0.00 H new ATOM 0 HB2 HIS A 33 92.873 4.381 8.410 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.139 2.840 7.619 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.739 3.010 4.881 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.284 7.191 4.499 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.065 5.077 3.285 1.00 0.00 H new ATOM 546 N THR A 34 90.069 3.348 5.351 1.00 0.00 N ATOM 547 CA THR A 34 89.380 3.912 4.145 1.00 0.00 C ATOM 548 C THR A 34 87.885 3.607 4.217 1.00 0.00 C ATOM 549 O THR A 34 87.103 4.117 3.439 1.00 0.00 O ATOM 550 CB THR A 34 89.939 3.274 2.869 1.00 0.00 C ATOM 551 OG1 THR A 34 89.828 1.862 2.961 1.00 0.00 O ATOM 552 CG2 THR A 34 91.403 3.660 2.687 1.00 0.00 C ATOM 0 H THR A 34 90.264 2.348 5.311 1.00 0.00 H new ATOM 0 HA THR A 34 89.547 4.989 4.125 1.00 0.00 H new ATOM 0 HB THR A 34 89.369 3.632 2.012 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.621 1.500 3.409 1.00 0.00 H new ATOM 0 HG21 THR A 34 91.790 3.201 1.777 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.487 4.744 2.610 1.00 0.00 H new ATOM 0 HG23 THR A 34 91.980 3.311 3.543 1.00 0.00 H new ATOM 560 N LYS A 35 87.480 2.770 5.129 1.00 0.00 N ATOM 561 CA LYS A 35 86.033 2.427 5.225 1.00 0.00 C ATOM 562 C LYS A 35 85.568 1.844 3.886 1.00 0.00 C ATOM 563 O LYS A 35 84.425 1.981 3.499 1.00 0.00 O ATOM 564 CB LYS A 35 85.224 3.687 5.546 1.00 0.00 C ATOM 565 CG LYS A 35 85.936 4.491 6.638 1.00 0.00 C ATOM 566 CD LYS A 35 86.201 3.591 7.847 1.00 0.00 C ATOM 567 CE LYS A 35 86.544 4.455 9.062 1.00 0.00 C ATOM 568 NZ LYS A 35 87.536 5.495 8.668 1.00 0.00 N ATOM 0 H LYS A 35 88.084 2.310 5.810 1.00 0.00 H new ATOM 0 HA LYS A 35 85.881 1.695 6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.109 4.296 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.222 3.414 5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 35 86.876 4.890 6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.324 5.343 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.323 2.980 8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 35 87.021 2.906 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 35 85.642 4.927 9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 35 86.950 3.834 9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 88.090 5.780 9.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 88.174 5.109 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 87.037 6.323 8.285 1.00 0.00 H new ATOM 582 N ARG A 36 86.455 1.198 3.175 1.00 0.00 N ATOM 583 CA ARG A 36 86.084 0.607 1.857 1.00 0.00 C ATOM 584 C ARG A 36 87.246 -0.259 1.362 1.00 0.00 C ATOM 585 O ARG A 36 88.386 -0.027 1.708 1.00 0.00 O ATOM 586 CB ARG A 36 85.817 1.737 0.856 1.00 0.00 C ATOM 587 CG ARG A 36 86.140 1.269 -0.569 1.00 0.00 C ATOM 588 CD ARG A 36 85.119 0.225 -1.035 1.00 0.00 C ATOM 589 NE ARG A 36 84.371 0.754 -2.212 1.00 0.00 N ATOM 590 CZ ARG A 36 83.312 1.498 -2.037 1.00 0.00 C ATOM 591 NH1 ARG A 36 82.900 1.779 -0.831 1.00 0.00 N ATOM 592 NH2 ARG A 36 82.663 1.960 -3.071 1.00 0.00 N ATOM 0 H ARG A 36 87.426 1.054 3.453 1.00 0.00 H new ATOM 0 HA ARG A 36 85.187 -0.004 1.956 1.00 0.00 H new ATOM 0 HB2 ARG A 36 84.774 2.048 0.917 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.424 2.607 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.133 2.121 -1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.143 0.844 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.626 -0.703 -1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.427 -0.009 -0.226 1.00 0.00 H new ATOM 0 HE ARG A 36 84.687 0.534 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 36 83.405 1.417 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 36 82.073 2.360 -0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 36 82.983 1.740 -4.014 1.00 0.00 H new ATOM 0 HH22 ARG A 36 81.836 2.541 -2.936 1.00 0.00 H new ATOM 606 N CYS A 37 86.981 -1.247 0.542 1.00 0.00 N ATOM 607 CA CYS A 37 88.095 -2.090 0.037 1.00 0.00 C ATOM 608 C CYS A 37 88.611 -1.529 -1.288 1.00 0.00 C ATOM 609 O CYS A 37 88.047 -1.765 -2.338 1.00 0.00 O ATOM 610 CB CYS A 37 87.601 -3.517 -0.168 1.00 0.00 C ATOM 611 SG CYS A 37 88.060 -4.509 1.274 1.00 0.00 S ATOM 0 H CYS A 37 86.051 -1.500 0.207 1.00 0.00 H new ATOM 0 HA CYS A 37 88.906 -2.088 0.765 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.519 -3.526 -0.303 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.038 -3.941 -1.072 1.00 0.00 H new ATOM 616 N LYS A 38 89.679 -0.785 -1.229 1.00 0.00 N ATOM 617 CA LYS A 38 90.281 -0.185 -2.458 1.00 0.00 C ATOM 618 C LYS A 38 90.133 -1.123 -3.668 1.00 0.00 C ATOM 619 O LYS A 38 90.278 -0.695 -4.794 1.00 0.00 O ATOM 620 CB LYS A 38 91.772 0.074 -2.206 1.00 0.00 C ATOM 621 CG LYS A 38 91.950 1.367 -1.399 1.00 0.00 C ATOM 622 CD LYS A 38 91.499 2.576 -2.236 1.00 0.00 C ATOM 623 CE LYS A 38 92.434 3.763 -1.981 1.00 0.00 C ATOM 624 NZ LYS A 38 92.385 4.133 -0.538 1.00 0.00 N ATOM 0 H LYS A 38 90.172 -0.561 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 38 89.759 0.746 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.209 -0.765 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.302 0.152 -3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.368 1.314 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 38 92.994 1.484 -1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 38 91.504 2.319 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 38 90.475 2.846 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 38 93.454 3.504 -2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 38 92.136 4.613 -2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 92.712 5.113 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 91.408 4.050 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 93.000 3.494 0.005 1.00 0.00 H new ATOM 638 N ASP A 39 89.850 -2.390 -3.459 1.00 0.00 N ATOM 639 CA ASP A 39 89.698 -3.329 -4.611 1.00 0.00 C ATOM 640 C ASP A 39 91.077 -3.799 -5.082 1.00 0.00 C ATOM 641 O ASP A 39 91.219 -4.875 -5.624 1.00 0.00 O ATOM 642 CB ASP A 39 88.961 -2.647 -5.773 1.00 0.00 C ATOM 643 CG ASP A 39 87.882 -1.712 -5.223 1.00 0.00 C ATOM 644 OD1 ASP A 39 87.053 -2.180 -4.460 1.00 0.00 O ATOM 645 OD2 ASP A 39 87.902 -0.544 -5.575 1.00 0.00 O ATOM 0 H ASP A 39 89.719 -2.810 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 39 89.112 -4.187 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 39 89.667 -2.084 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 39 88.509 -3.398 -6.420 1.00 0.00 H new ATOM 650 N LEU A 40 92.096 -3.007 -4.881 1.00 0.00 N ATOM 651 CA LEU A 40 93.460 -3.423 -5.323 1.00 0.00 C ATOM 652 C LEU A 40 94.507 -2.837 -4.366 1.00 0.00 C ATOM 653 O LEU A 40 94.393 -1.714 -3.916 1.00 0.00 O ATOM 654 CB LEU A 40 93.711 -2.908 -6.755 1.00 0.00 C ATOM 655 CG LEU A 40 94.088 -4.056 -7.707 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.393 -4.730 -7.256 1.00 0.00 C ATOM 657 CD2 LEU A 40 92.954 -5.086 -7.753 1.00 0.00 C ATOM 0 H LEU A 40 92.044 -2.093 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 40 93.535 -4.510 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.817 -2.406 -7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.510 -2.167 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 40 94.241 -3.644 -8.704 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.641 -5.539 -7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.199 -3.996 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.266 -5.133 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.226 -5.897 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.786 -5.487 -6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.042 -4.607 -8.110 1.00 0.00 H new ATOM 669 N ASN A 41 95.524 -3.595 -4.053 1.00 0.00 N ATOM 670 CA ASN A 41 96.581 -3.094 -3.127 1.00 0.00 C ATOM 671 C ASN A 41 97.895 -3.818 -3.425 1.00 0.00 C ATOM 672 O ASN A 41 97.933 -5.024 -3.559 1.00 0.00 O ATOM 673 CB ASN A 41 96.155 -3.362 -1.684 1.00 0.00 C ATOM 674 CG ASN A 41 94.840 -2.632 -1.405 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.778 -3.215 -1.494 1.00 0.00 O ATOM 676 ND2 ASN A 41 94.866 -1.370 -1.075 1.00 0.00 N ATOM 0 H ASN A 41 95.669 -4.543 -4.400 1.00 0.00 H new ATOM 0 HA ASN A 41 96.721 -2.022 -3.267 1.00 0.00 H new ATOM 0 HB2 ASN A 41 96.032 -4.433 -1.521 1.00 0.00 H new ATOM 0 HB3 ASN A 41 96.928 -3.021 -0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 41 93.994 -0.873 -0.892 1.00 0.00 H new ATOM 0 HD22 ASN A 41 95.758 -0.881 -1.000 1.00 0.00 H new ATOM 683 N THR A 42 98.972 -3.087 -3.544 1.00 0.00 N ATOM 684 CA THR A 42 100.288 -3.724 -3.849 1.00 0.00 C ATOM 685 C THR A 42 101.198 -3.658 -2.619 1.00 0.00 C ATOM 686 O THR A 42 101.080 -2.780 -1.790 1.00 0.00 O ATOM 687 CB THR A 42 100.948 -2.977 -5.019 1.00 0.00 C ATOM 688 OG1 THR A 42 100.424 -1.658 -5.084 1.00 0.00 O ATOM 689 CG2 THR A 42 100.660 -3.701 -6.338 1.00 0.00 C ATOM 0 H THR A 42 98.997 -2.072 -3.443 1.00 0.00 H new ATOM 0 HA THR A 42 100.132 -4.769 -4.118 1.00 0.00 H new ATOM 0 HB THR A 42 102.026 -2.944 -4.860 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.843 -1.176 -5.828 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.133 -3.162 -7.159 1.00 0.00 H new ATOM 0 HG22 THR A 42 101.059 -4.714 -6.291 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.583 -3.742 -6.503 1.00 0.00 H new ATOM 697 N PHE A 43 102.106 -4.589 -2.503 1.00 0.00 N ATOM 698 CA PHE A 43 103.041 -4.600 -1.342 1.00 0.00 C ATOM 699 C PHE A 43 104.443 -4.942 -1.863 1.00 0.00 C ATOM 700 O PHE A 43 104.587 -5.490 -2.934 1.00 0.00 O ATOM 701 CB PHE A 43 102.581 -5.653 -0.323 1.00 0.00 C ATOM 702 CG PHE A 43 101.220 -5.273 0.227 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.087 -5.351 -0.590 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.092 -4.835 1.553 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.832 -4.994 -0.086 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.835 -4.476 2.056 1.00 0.00 C ATOM 707 CZ PHE A 43 98.705 -4.556 1.236 1.00 0.00 C ATOM 0 H PHE A 43 102.241 -5.349 -3.169 1.00 0.00 H new ATOM 0 HA PHE A 43 103.055 -3.627 -0.851 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.532 -6.634 -0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.304 -5.727 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.182 -5.688 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.964 -4.774 2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.959 -5.057 -0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.738 -4.137 3.077 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.735 -4.280 1.623 1.00 0.00 H new ATOM 717 N LEU A 44 105.474 -4.621 -1.124 1.00 0.00 N ATOM 718 CA LEU A 44 106.867 -4.927 -1.591 1.00 0.00 C ATOM 719 C LEU A 44 107.534 -5.864 -0.576 1.00 0.00 C ATOM 720 O LEU A 44 107.188 -5.855 0.588 1.00 0.00 O ATOM 721 CB LEU A 44 107.666 -3.621 -1.728 1.00 0.00 C ATOM 722 CG LEU A 44 106.915 -2.653 -2.649 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.730 -1.366 -2.834 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.706 -3.314 -4.009 1.00 0.00 C ATOM 0 H LEU A 44 105.415 -4.160 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 44 106.838 -5.415 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.811 -3.167 -0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.656 -3.829 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 44 105.952 -2.407 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.189 -0.684 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.885 -0.891 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.695 -1.607 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.172 -2.629 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.674 -3.559 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.123 -4.226 -3.884 1.00 0.00 H new ATOM 736 N HIS A 45 108.477 -6.685 -0.995 1.00 0.00 N ATOM 737 CA HIS A 45 109.124 -7.623 -0.013 1.00 0.00 C ATOM 738 C HIS A 45 110.539 -7.167 0.297 1.00 0.00 C ATOM 739 O HIS A 45 111.505 -7.841 -0.001 1.00 0.00 O ATOM 740 CB HIS A 45 109.166 -9.044 -0.578 1.00 0.00 C ATOM 741 CG HIS A 45 109.267 -10.036 0.548 1.00 0.00 C ATOM 742 ND1 HIS A 45 108.864 -11.343 0.652 1.00 0.00 N flip ATOM 743 CD2 HIS A 45 109.853 -9.720 1.766 1.00 0.00 C flip ATOM 744 CE1 HIS A 45 109.193 -11.830 1.911 1.00 0.00 C flip ATOM 745 NE2 HIS A 45 109.786 -10.817 2.544 1.00 0.00 N flip ATOM 0 H HIS A 45 108.820 -6.746 -1.954 1.00 0.00 H new ATOM 0 HA HIS A 45 108.532 -7.617 0.902 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.269 -9.238 -1.167 1.00 0.00 H new ATOM 0 HB3 HIS A 45 110.018 -9.154 -1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 45 110.284 -8.768 2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 45 109.007 -12.822 2.296 1.00 0.00 H new ATOM 0 HE2 HIS A 45 110.144 -10.867 3.498 1.00 0.00 H new ATOM 754 N GLU A 46 110.667 -6.033 0.905 1.00 0.00 N ATOM 755 CA GLU A 46 112.012 -5.528 1.255 1.00 0.00 C ATOM 756 C GLU A 46 111.882 -4.734 2.564 1.00 0.00 C ATOM 757 O GLU A 46 110.981 -3.936 2.708 1.00 0.00 O ATOM 758 CB GLU A 46 112.504 -4.644 0.104 1.00 0.00 C ATOM 759 CG GLU A 46 113.964 -4.262 0.325 1.00 0.00 C ATOM 760 CD GLU A 46 114.859 -5.470 0.041 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.331 -6.487 -0.379 1.00 0.00 O ATOM 762 OE2 GLU A 46 116.055 -5.359 0.250 1.00 0.00 O ATOM 0 H GLU A 46 109.892 -5.428 1.177 1.00 0.00 H new ATOM 0 HA GLU A 46 112.732 -6.333 1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.398 -5.173 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.891 -3.745 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.236 -3.433 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.110 -3.921 1.350 1.00 0.00 H new ATOM 769 N PRO A 47 112.735 -4.968 3.534 1.00 0.00 N ATOM 770 CA PRO A 47 112.642 -4.258 4.842 1.00 0.00 C ATOM 771 C PRO A 47 112.720 -2.739 4.685 1.00 0.00 C ATOM 772 O PRO A 47 113.607 -2.213 4.045 1.00 0.00 O ATOM 773 CB PRO A 47 113.823 -4.785 5.669 1.00 0.00 C ATOM 774 CG PRO A 47 114.710 -5.530 4.717 1.00 0.00 C ATOM 775 CD PRO A 47 113.861 -5.914 3.502 1.00 0.00 C ATOM 0 HA PRO A 47 111.682 -4.447 5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.363 -3.964 6.141 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.476 -5.439 6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.554 -4.910 4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 47 115.122 -6.420 5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.429 -5.826 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.516 -6.946 3.567 1.00 0.00 H new ATOM 783 N PHE A 48 111.783 -2.036 5.262 1.00 0.00 N ATOM 784 CA PHE A 48 111.769 -0.547 5.159 1.00 0.00 C ATOM 785 C PHE A 48 113.181 -0.002 5.317 1.00 0.00 C ATOM 786 O PHE A 48 113.466 1.092 4.910 1.00 0.00 O ATOM 787 CB PHE A 48 110.852 0.021 6.238 1.00 0.00 C ATOM 788 CG PHE A 48 109.764 -0.996 6.502 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.152 -1.649 5.423 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.384 -1.308 7.813 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.164 -2.606 5.652 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.394 -2.273 8.042 1.00 0.00 C ATOM 793 CZ PHE A 48 107.784 -2.921 6.961 1.00 0.00 C ATOM 0 H PHE A 48 111.018 -2.434 5.807 1.00 0.00 H new ATOM 0 HA PHE A 48 111.395 -0.250 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.414 0.224 7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.420 0.967 5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.446 -1.410 4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 48 109.853 -0.806 8.646 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.692 -3.104 4.818 1.00 0.00 H new ATOM 0 HE2 PHE A 48 108.101 -2.517 9.053 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.020 -3.664 7.138 1.00 0.00 H new ATOM 803 N SER A 49 114.070 -0.759 5.887 1.00 0.00 N ATOM 804 CA SER A 49 115.466 -0.272 6.032 1.00 0.00 C ATOM 805 C SER A 49 116.135 -0.352 4.661 1.00 0.00 C ATOM 806 O SER A 49 116.916 0.502 4.280 1.00 0.00 O ATOM 807 CB SER A 49 116.220 -1.153 7.029 1.00 0.00 C ATOM 808 OG SER A 49 115.484 -1.226 8.242 1.00 0.00 O ATOM 0 H SER A 49 113.892 -1.692 6.258 1.00 0.00 H new ATOM 0 HA SER A 49 115.475 0.754 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.361 -2.152 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.212 -0.743 7.216 1.00 0.00 H new ATOM 0 HG SER A 49 115.964 -1.792 8.882 1.00 0.00 H new ATOM 814 N SER A 50 115.805 -1.362 3.900 1.00 0.00 N ATOM 815 CA SER A 50 116.391 -1.492 2.544 1.00 0.00 C ATOM 816 C SER A 50 115.525 -0.684 1.590 1.00 0.00 C ATOM 817 O SER A 50 116.015 0.104 0.816 1.00 0.00 O ATOM 818 CB SER A 50 116.402 -2.959 2.130 1.00 0.00 C ATOM 819 OG SER A 50 116.232 -3.053 0.723 1.00 0.00 O ATOM 0 H SER A 50 115.153 -2.101 4.164 1.00 0.00 H new ATOM 0 HA SER A 50 117.417 -1.124 2.527 1.00 0.00 H new ATOM 0 HB2 SER A 50 117.342 -3.425 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 50 115.604 -3.498 2.641 1.00 0.00 H new ATOM 0 HG SER A 50 116.588 -3.910 0.407 1.00 0.00 H new ATOM 825 N VAL A 51 114.232 -0.846 1.668 1.00 0.00 N ATOM 826 CA VAL A 51 113.335 -0.042 0.790 1.00 0.00 C ATOM 827 C VAL A 51 113.623 1.422 1.100 1.00 0.00 C ATOM 828 O VAL A 51 113.530 2.291 0.256 1.00 0.00 O ATOM 829 CB VAL A 51 111.864 -0.352 1.100 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.044 -0.300 -0.193 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.748 -1.749 1.715 1.00 0.00 C ATOM 0 H VAL A 51 113.761 -1.496 2.297 1.00 0.00 H new ATOM 0 HA VAL A 51 113.512 -0.274 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 51 111.484 0.388 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.000 -0.520 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.119 0.695 -0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.428 -1.037 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.702 -1.965 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.132 -2.489 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.327 -1.790 2.638 1.00 0.00 H new ATOM 841 N ALA A 52 113.995 1.686 2.324 1.00 0.00 N ATOM 842 CA ALA A 52 114.323 3.074 2.727 1.00 0.00 C ATOM 843 C ALA A 52 115.497 3.540 1.872 1.00 0.00 C ATOM 844 O ALA A 52 115.431 4.544 1.192 1.00 0.00 O ATOM 845 CB ALA A 52 114.730 3.098 4.203 1.00 0.00 C ATOM 0 H ALA A 52 114.085 0.990 3.064 1.00 0.00 H new ATOM 0 HA ALA A 52 113.461 3.726 2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.971 4.119 4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.906 2.729 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.603 2.463 4.350 1.00 0.00 H new ATOM 851 N ALA A 53 116.573 2.797 1.894 1.00 0.00 N ATOM 852 CA ALA A 53 117.755 3.173 1.073 1.00 0.00 C ATOM 853 C ALA A 53 117.386 3.059 -0.407 1.00 0.00 C ATOM 854 O ALA A 53 117.954 3.721 -1.252 1.00 0.00 O ATOM 855 CB ALA A 53 118.917 2.229 1.385 1.00 0.00 C ATOM 0 H ALA A 53 116.681 1.946 2.446 1.00 0.00 H new ATOM 0 HA ALA A 53 118.054 4.196 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.782 2.506 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.172 2.303 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.626 1.205 1.153 1.00 0.00 H new ATOM 861 N THR A 54 116.429 2.228 -0.727 1.00 0.00 N ATOM 862 CA THR A 54 116.017 2.082 -2.147 1.00 0.00 C ATOM 863 C THR A 54 115.533 3.444 -2.630 1.00 0.00 C ATOM 864 O THR A 54 115.858 3.880 -3.714 1.00 0.00 O ATOM 865 CB THR A 54 114.894 1.027 -2.262 1.00 0.00 C ATOM 866 OG1 THR A 54 115.312 -0.163 -1.611 1.00 0.00 O ATOM 867 CG2 THR A 54 114.595 0.711 -3.733 1.00 0.00 C ATOM 0 H THR A 54 115.917 1.646 -0.064 1.00 0.00 H new ATOM 0 HA THR A 54 116.852 1.745 -2.761 1.00 0.00 H new ATOM 0 HB THR A 54 113.991 1.422 -1.797 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.518 0.032 -0.673 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.801 -0.034 -3.791 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.277 1.620 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.494 0.322 -4.211 1.00 0.00 H new ATOM 875 N CYS A 55 114.786 4.142 -1.816 1.00 0.00 N ATOM 876 CA CYS A 55 114.310 5.487 -2.230 1.00 0.00 C ATOM 877 C CYS A 55 115.471 6.479 -2.154 1.00 0.00 C ATOM 878 O CYS A 55 115.279 7.669 -2.000 1.00 0.00 O ATOM 879 CB CYS A 55 113.164 5.932 -1.318 1.00 0.00 C ATOM 880 SG CYS A 55 112.031 7.000 -2.246 1.00 0.00 S ATOM 0 H CYS A 55 114.488 3.838 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 55 113.943 5.449 -3.256 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.630 5.062 -0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.559 6.467 -0.454 1.00 0.00 H new ATOM 885 N GLN A 56 116.677 5.991 -2.278 1.00 0.00 N ATOM 886 CA GLN A 56 117.865 6.889 -2.232 1.00 0.00 C ATOM 887 C GLN A 56 118.374 7.102 -3.659 1.00 0.00 C ATOM 888 O GLN A 56 118.995 8.101 -3.965 1.00 0.00 O ATOM 889 CB GLN A 56 118.965 6.238 -1.387 1.00 0.00 C ATOM 890 CG GLN A 56 120.047 7.271 -1.060 1.00 0.00 C ATOM 891 CD GLN A 56 120.910 7.519 -2.299 1.00 0.00 C ATOM 892 OE1 GLN A 56 121.052 8.736 -2.747 1.00 0.00 O flip ATOM 893 NE2 GLN A 56 121.460 6.595 -2.865 1.00 0.00 N flip ATOM 0 H GLN A 56 116.890 5.002 -2.410 1.00 0.00 H new ATOM 0 HA GLN A 56 117.592 7.846 -1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 56 118.540 5.838 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 56 119.402 5.398 -1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.587 8.203 -0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 56 120.667 6.915 -0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 56 121.349 5.644 -2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 56 122.033 6.771 -3.690 1.00 0.00 H new ATOM 902 N THR A 57 118.108 6.173 -4.539 1.00 0.00 N ATOM 903 CA THR A 57 118.571 6.329 -5.949 1.00 0.00 C ATOM 904 C THR A 57 117.811 7.495 -6.595 1.00 0.00 C ATOM 905 O THR A 57 116.719 7.832 -6.183 1.00 0.00 O ATOM 906 CB THR A 57 118.297 5.035 -6.735 1.00 0.00 C ATOM 907 OG1 THR A 57 117.921 5.362 -8.065 1.00 0.00 O ATOM 908 CG2 THR A 57 117.166 4.248 -6.070 1.00 0.00 C ATOM 0 H THR A 57 117.592 5.315 -4.343 1.00 0.00 H new ATOM 0 HA THR A 57 119.642 6.531 -5.963 1.00 0.00 H new ATOM 0 HB THR A 57 119.201 4.426 -6.745 1.00 0.00 H new ATOM 0 HG1 THR A 57 118.587 5.007 -8.690 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.979 3.334 -6.633 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.451 3.994 -5.049 1.00 0.00 H new ATOM 0 HG23 THR A 57 116.261 4.855 -6.053 1.00 0.00 H new ATOM 916 N PRO A 58 118.384 8.108 -7.600 1.00 0.00 N ATOM 917 CA PRO A 58 117.754 9.253 -8.312 1.00 0.00 C ATOM 918 C PRO A 58 116.234 9.097 -8.448 1.00 0.00 C ATOM 919 O PRO A 58 115.742 8.069 -8.867 1.00 0.00 O ATOM 920 CB PRO A 58 118.428 9.218 -9.682 1.00 0.00 C ATOM 921 CG PRO A 58 119.795 8.658 -9.431 1.00 0.00 C ATOM 922 CD PRO A 58 119.700 7.778 -8.175 1.00 0.00 C ATOM 0 HA PRO A 58 117.887 10.194 -7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.869 8.595 -10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.485 10.215 -10.119 1.00 0.00 H new ATOM 0 HG2 PRO A 58 120.135 8.073 -10.286 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.519 9.460 -9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.771 6.719 -8.424 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.506 7.996 -7.475 1.00 0.00 H new ATOM 930 N LYS A 59 115.489 10.112 -8.095 1.00 0.00 N ATOM 931 CA LYS A 59 114.002 10.023 -8.202 1.00 0.00 C ATOM 932 C LYS A 59 113.555 10.399 -9.618 1.00 0.00 C ATOM 933 O LYS A 59 114.315 10.323 -10.563 1.00 0.00 O ATOM 934 CB LYS A 59 113.350 10.969 -7.180 1.00 0.00 C ATOM 935 CG LYS A 59 114.238 12.193 -6.940 1.00 0.00 C ATOM 936 CD LYS A 59 114.597 12.874 -8.269 1.00 0.00 C ATOM 937 CE LYS A 59 115.473 14.104 -8.000 1.00 0.00 C ATOM 938 NZ LYS A 59 116.908 13.732 -8.155 1.00 0.00 N ATOM 0 H LYS A 59 115.846 10.998 -7.737 1.00 0.00 H new ATOM 0 HA LYS A 59 113.691 9.000 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.372 11.287 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.186 10.442 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 59 113.722 12.901 -6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 59 115.149 11.892 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 59 115.125 12.174 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 113.689 13.170 -8.794 1.00 0.00 H new ATOM 0 HE2 LYS A 59 115.217 14.906 -8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 59 115.290 14.482 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 117.504 14.565 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 117.147 12.980 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 117.076 13.391 -9.123 1.00 0.00 H new ATOM 952 N ILE A 60 112.322 10.802 -9.768 1.00 0.00 N ATOM 953 CA ILE A 60 111.808 11.182 -11.114 1.00 0.00 C ATOM 954 C ILE A 60 110.698 12.223 -10.954 1.00 0.00 C ATOM 955 O ILE A 60 110.021 12.265 -9.947 1.00 0.00 O ATOM 956 CB ILE A 60 111.237 9.937 -11.805 1.00 0.00 C ATOM 957 CG1 ILE A 60 110.627 9.011 -10.746 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.352 9.195 -12.548 1.00 0.00 C ATOM 959 CD1 ILE A 60 109.728 7.963 -11.413 1.00 0.00 C ATOM 0 H ILE A 60 111.645 10.885 -9.010 1.00 0.00 H new ATOM 0 HA ILE A 60 112.618 11.598 -11.714 1.00 0.00 H new ATOM 0 HB ILE A 60 110.472 10.239 -12.520 1.00 0.00 H new ATOM 0 HG12 ILE A 60 111.420 8.516 -10.185 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.048 9.596 -10.031 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.939 8.312 -13.036 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.790 9.853 -13.298 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.122 8.891 -11.839 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.301 7.312 -10.650 1.00 0.00 H new ATOM 0 HD12 ILE A 60 108.925 8.464 -11.954 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.318 7.368 -12.110 1.00 0.00 H new ATOM 971 N ALA A 61 110.498 13.057 -11.939 1.00 0.00 N ATOM 972 CA ALA A 61 109.421 14.081 -11.833 1.00 0.00 C ATOM 973 C ALA A 61 108.092 13.374 -11.576 1.00 0.00 C ATOM 974 O ALA A 61 107.317 13.136 -12.481 1.00 0.00 O ATOM 975 CB ALA A 61 109.331 14.875 -13.137 1.00 0.00 C ATOM 0 H ALA A 61 111.031 13.073 -12.808 1.00 0.00 H new ATOM 0 HA ALA A 61 109.644 14.765 -11.014 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.542 15.622 -13.054 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.283 15.371 -13.327 1.00 0.00 H new ATOM 0 HB3 ALA A 61 109.104 14.198 -13.960 1.00 0.00 H new ATOM 981 N CYS A 62 107.829 13.029 -10.347 1.00 0.00 N ATOM 982 CA CYS A 62 106.558 12.327 -10.018 1.00 0.00 C ATOM 983 C CYS A 62 105.393 12.998 -10.753 1.00 0.00 C ATOM 984 O CYS A 62 104.871 12.472 -11.716 1.00 0.00 O ATOM 985 CB CYS A 62 106.337 12.383 -8.500 1.00 0.00 C ATOM 986 SG CYS A 62 106.186 10.702 -7.851 1.00 0.00 S ATOM 0 H CYS A 62 108.443 13.204 -9.552 1.00 0.00 H new ATOM 0 HA CYS A 62 106.614 11.286 -10.335 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.170 12.897 -8.019 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.437 12.954 -8.274 1.00 0.00 H new ATOM 991 N LYS A 63 104.986 14.155 -10.312 1.00 0.00 N ATOM 992 CA LYS A 63 103.861 14.854 -10.993 1.00 0.00 C ATOM 993 C LYS A 63 104.372 15.488 -12.287 1.00 0.00 C ATOM 994 O LYS A 63 104.016 15.087 -13.377 1.00 0.00 O ATOM 995 CB LYS A 63 103.313 15.947 -10.074 1.00 0.00 C ATOM 996 CG LYS A 63 102.429 15.315 -8.996 1.00 0.00 C ATOM 997 CD LYS A 63 101.986 16.391 -8.003 1.00 0.00 C ATOM 998 CE LYS A 63 101.392 15.726 -6.760 1.00 0.00 C ATOM 999 NZ LYS A 63 100.515 14.594 -7.174 1.00 0.00 N ATOM 0 H LYS A 63 105.383 14.646 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 63 103.070 14.140 -11.222 1.00 0.00 H new ATOM 0 HB2 LYS A 63 104.135 16.493 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.738 16.669 -10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 63 101.558 14.847 -9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.977 14.529 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 63 102.835 17.015 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 63 101.248 17.046 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 63 102.190 15.364 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 63 100.819 16.453 -6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 99.872 14.350 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 99.959 14.873 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 101.102 13.768 -7.410 1.00 0.00 H new ATOM 1013 N ASN A 64 105.210 16.474 -12.163 1.00 0.00 N ATOM 1014 CA ASN A 64 105.771 17.154 -13.362 1.00 0.00 C ATOM 1015 C ASN A 64 107.080 17.817 -12.951 1.00 0.00 C ATOM 1016 O ASN A 64 107.545 18.759 -13.563 1.00 0.00 O ATOM 1017 CB ASN A 64 104.789 18.217 -13.857 1.00 0.00 C ATOM 1018 CG ASN A 64 103.652 17.544 -14.629 1.00 0.00 C ATOM 1019 OD1 ASN A 64 102.508 17.606 -14.225 1.00 0.00 O ATOM 1020 ND2 ASN A 64 103.920 16.900 -15.732 1.00 0.00 N ATOM 0 H ASN A 64 105.536 16.844 -11.270 1.00 0.00 H new ATOM 0 HA ASN A 64 105.942 16.436 -14.164 1.00 0.00 H new ATOM 0 HB2 ASN A 64 104.387 18.777 -13.013 1.00 0.00 H new ATOM 0 HB3 ASN A 64 105.304 18.932 -14.498 1.00 0.00 H new ATOM 0 HD21 ASN A 64 103.169 16.449 -16.255 1.00 0.00 H new ATOM 0 HD22 ASN A 64 104.880 16.848 -16.072 1.00 0.00 H new ATOM 1027 N GLY A 65 107.663 17.325 -11.897 1.00 0.00 N ATOM 1028 CA GLY A 65 108.936 17.898 -11.388 1.00 0.00 C ATOM 1029 C GLY A 65 109.011 17.636 -9.885 1.00 0.00 C ATOM 1030 O GLY A 65 109.940 18.041 -9.214 1.00 0.00 O ATOM 0 H GLY A 65 107.305 16.537 -11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.787 17.444 -11.896 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.978 18.968 -11.590 1.00 0.00 H new ATOM 1034 N ASP A 66 108.028 16.955 -9.353 1.00 0.00 N ATOM 1035 CA ASP A 66 108.025 16.657 -7.894 1.00 0.00 C ATOM 1036 C ASP A 66 109.354 16.015 -7.503 1.00 0.00 C ATOM 1037 O ASP A 66 109.902 16.291 -6.455 1.00 0.00 O ATOM 1038 CB ASP A 66 106.885 15.684 -7.578 1.00 0.00 C ATOM 1039 CG ASP A 66 105.592 16.465 -7.331 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.459 17.542 -7.888 1.00 0.00 O ATOM 1041 OD2 ASP A 66 104.758 15.972 -6.590 1.00 0.00 O ATOM 0 H ASP A 66 107.227 16.593 -9.870 1.00 0.00 H new ATOM 0 HA ASP A 66 107.886 17.582 -7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.748 14.988 -8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.135 15.089 -6.700 1.00 0.00 H new ATOM 1046 N LYS A 67 109.871 15.150 -8.331 1.00 0.00 N ATOM 1047 CA LYS A 67 111.158 14.488 -7.994 1.00 0.00 C ATOM 1048 C LYS A 67 111.047 13.881 -6.594 1.00 0.00 C ATOM 1049 O LYS A 67 111.856 14.147 -5.728 1.00 0.00 O ATOM 1050 CB LYS A 67 112.282 15.526 -8.017 1.00 0.00 C ATOM 1051 CG LYS A 67 112.594 15.911 -9.465 1.00 0.00 C ATOM 1052 CD LYS A 67 113.422 17.198 -9.485 1.00 0.00 C ATOM 1053 CE LYS A 67 113.741 17.578 -10.932 1.00 0.00 C ATOM 1054 NZ LYS A 67 114.321 16.400 -11.638 1.00 0.00 N ATOM 0 H LYS A 67 109.458 14.875 -9.222 1.00 0.00 H new ATOM 0 HA LYS A 67 111.378 13.705 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 67 111.987 16.409 -7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 67 113.174 15.123 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 67 113.141 15.106 -9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.668 16.053 -10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 67 112.872 18.004 -8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 67 114.345 17.058 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 67 112.836 17.911 -11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 67 114.444 18.411 -10.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 114.855 16.722 -12.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 114.958 15.889 -10.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 113.555 15.766 -11.943 1.00 0.00 H new ATOM 1068 N ASN A 68 110.035 13.082 -6.360 1.00 0.00 N ATOM 1069 CA ASN A 68 109.857 12.472 -5.006 1.00 0.00 C ATOM 1070 C ASN A 68 109.743 10.945 -5.105 1.00 0.00 C ATOM 1071 O ASN A 68 109.775 10.259 -4.095 1.00 0.00 O ATOM 1072 CB ASN A 68 108.584 13.030 -4.368 1.00 0.00 C ATOM 1073 CG ASN A 68 108.571 12.692 -2.876 1.00 0.00 C ATOM 1074 OD1 ASN A 68 107.548 12.322 -2.334 1.00 0.00 O ATOM 1075 ND2 ASN A 68 109.672 12.803 -2.184 1.00 0.00 N ATOM 0 H ASN A 68 109.326 12.826 -7.047 1.00 0.00 H new ATOM 0 HA ASN A 68 110.726 12.718 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 68 108.538 14.110 -4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 68 107.705 12.608 -4.855 1.00 0.00 H new ATOM 0 HD21 ASN A 68 109.674 12.579 -1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 68 110.531 13.113 -2.638 1.00 0.00 H new ATOM 1082 N CYS A 69 109.614 10.399 -6.298 1.00 0.00 N ATOM 1083 CA CYS A 69 109.501 8.920 -6.435 1.00 0.00 C ATOM 1084 C CYS A 69 110.712 8.391 -7.199 1.00 0.00 C ATOM 1085 O CYS A 69 111.398 9.122 -7.883 1.00 0.00 O ATOM 1086 CB CYS A 69 108.212 8.566 -7.183 1.00 0.00 C ATOM 1087 SG CYS A 69 107.889 9.803 -8.460 1.00 0.00 S ATOM 0 H CYS A 69 109.583 10.919 -7.175 1.00 0.00 H new ATOM 0 HA CYS A 69 109.470 8.462 -5.446 1.00 0.00 H new ATOM 0 HB2 CYS A 69 108.302 7.578 -7.635 1.00 0.00 H new ATOM 0 HB3 CYS A 69 107.376 8.523 -6.485 1.00 0.00 H new ATOM 1092 N HIS A 70 110.982 7.124 -7.074 1.00 0.00 N ATOM 1093 CA HIS A 70 112.158 6.534 -7.777 1.00 0.00 C ATOM 1094 C HIS A 70 111.915 5.041 -7.960 1.00 0.00 C ATOM 1095 O HIS A 70 111.240 4.431 -7.159 1.00 0.00 O ATOM 1096 CB HIS A 70 113.394 6.700 -6.903 1.00 0.00 C ATOM 1097 CG HIS A 70 113.558 5.435 -6.120 1.00 0.00 C ATOM 1098 ND1 HIS A 70 112.832 4.895 -5.090 1.00 0.00 N flip ATOM 1099 CD2 HIS A 70 114.537 4.511 -6.422 1.00 0.00 C flip ATOM 1100 CE1 HIS A 70 113.355 3.654 -4.760 1.00 0.00 C flip ATOM 1101 NE2 HIS A 70 114.381 3.470 -5.590 1.00 0.00 N flip ATOM 0 H HIS A 70 110.439 6.467 -6.514 1.00 0.00 H new ATOM 0 HA HIS A 70 112.300 7.028 -8.738 1.00 0.00 H new ATOM 0 HB2 HIS A 70 114.275 6.890 -7.516 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.280 7.554 -6.235 1.00 0.00 H new ATOM 0 HD1 HIS A 70 112.032 5.337 -4.637 1.00 0.00 H new ATOM 0 HD2 HIS A 70 115.292 4.608 -7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 70 113.005 2.979 -3.993 1.00 0.00 H new ATOM 1110 N GLN A 71 112.466 4.433 -8.977 1.00 0.00 N ATOM 1111 CA GLN A 71 112.240 2.971 -9.150 1.00 0.00 C ATOM 1112 C GLN A 71 113.487 2.174 -8.767 1.00 0.00 C ATOM 1113 O GLN A 71 114.574 2.404 -9.259 1.00 0.00 O ATOM 1114 CB GLN A 71 111.809 2.666 -10.596 1.00 0.00 C ATOM 1115 CG GLN A 71 112.971 2.107 -11.426 1.00 0.00 C ATOM 1116 CD GLN A 71 114.041 3.186 -11.609 1.00 0.00 C ATOM 1117 OE1 GLN A 71 113.731 4.358 -11.686 1.00 0.00 O ATOM 1118 NE2 GLN A 71 115.296 2.837 -11.683 1.00 0.00 N ATOM 0 H GLN A 71 113.053 4.877 -9.683 1.00 0.00 H new ATOM 0 HA GLN A 71 111.436 2.665 -8.481 1.00 0.00 H new ATOM 0 HB2 GLN A 71 110.989 1.948 -10.588 1.00 0.00 H new ATOM 0 HB3 GLN A 71 111.432 3.576 -11.063 1.00 0.00 H new ATOM 0 HG2 GLN A 71 113.400 1.237 -10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 71 112.608 1.772 -12.398 1.00 0.00 H new ATOM 0 HE21 GLN A 71 115.556 1.853 -11.618 1.00 0.00 H new ATOM 0 HE22 GLN A 71 116.017 3.548 -11.805 1.00 0.00 H new ATOM 1127 N SER A 72 113.310 1.227 -7.885 1.00 0.00 N ATOM 1128 CA SER A 72 114.444 0.363 -7.433 1.00 0.00 C ATOM 1129 C SER A 72 115.439 0.161 -8.581 1.00 0.00 C ATOM 1130 O SER A 72 115.068 0.116 -9.737 1.00 0.00 O ATOM 1131 CB SER A 72 113.896 -0.996 -6.996 1.00 0.00 C ATOM 1132 OG SER A 72 112.735 -0.800 -6.200 1.00 0.00 O ATOM 0 H SER A 72 112.413 1.011 -7.450 1.00 0.00 H new ATOM 0 HA SER A 72 114.953 0.846 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 72 113.654 -1.601 -7.870 1.00 0.00 H new ATOM 0 HB3 SER A 72 114.652 -1.541 -6.430 1.00 0.00 H new ATOM 0 HG SER A 72 112.545 -1.616 -5.692 1.00 0.00 H new ATOM 1138 N HIS A 73 116.699 0.042 -8.269 1.00 0.00 N ATOM 1139 CA HIS A 73 117.719 -0.152 -9.338 1.00 0.00 C ATOM 1140 C HIS A 73 117.652 -1.589 -9.860 1.00 0.00 C ATOM 1141 O HIS A 73 118.640 -2.150 -10.291 1.00 0.00 O ATOM 1142 CB HIS A 73 119.108 0.107 -8.754 1.00 0.00 C ATOM 1143 CG HIS A 73 119.441 1.572 -8.853 1.00 0.00 C ATOM 1144 ND1 HIS A 73 120.741 2.043 -8.737 1.00 0.00 N ATOM 1145 CD2 HIS A 73 118.657 2.680 -9.060 1.00 0.00 C ATOM 1146 CE1 HIS A 73 120.701 3.382 -8.875 1.00 0.00 C ATOM 1147 NE2 HIS A 73 119.456 3.817 -9.073 1.00 0.00 N ATOM 0 H HIS A 73 117.068 0.071 -7.318 1.00 0.00 H new ATOM 0 HA HIS A 73 117.524 0.539 -10.158 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.139 -0.212 -7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 73 119.853 -0.481 -9.290 1.00 0.00 H new ATOM 0 HD1 HIS A 73 121.575 1.478 -8.576 1.00 0.00 H new ATOM 0 HD2 HIS A 73 117.585 2.670 -9.192 1.00 0.00 H new ATOM 0 HE1 HIS A 73 121.569 4.023 -8.831 1.00 0.00 H new ATOM 1156 N GLY A 74 116.500 -2.190 -9.829 1.00 0.00 N ATOM 1157 CA GLY A 74 116.388 -3.591 -10.326 1.00 0.00 C ATOM 1158 C GLY A 74 115.061 -4.199 -9.874 1.00 0.00 C ATOM 1159 O GLY A 74 114.222 -3.529 -9.304 1.00 0.00 O ATOM 0 H GLY A 74 115.633 -1.777 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.453 -3.606 -11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.219 -4.187 -9.948 1.00 0.00 H new ATOM 1163 N PRO A 75 114.874 -5.465 -10.134 1.00 0.00 N ATOM 1164 CA PRO A 75 113.631 -6.192 -9.760 1.00 0.00 C ATOM 1165 C PRO A 75 113.610 -6.601 -8.283 1.00 0.00 C ATOM 1166 O PRO A 75 114.481 -7.306 -7.813 1.00 0.00 O ATOM 1167 CB PRO A 75 113.663 -7.428 -10.661 1.00 0.00 C ATOM 1168 CG PRO A 75 115.115 -7.698 -10.898 1.00 0.00 C ATOM 1169 CD PRO A 75 115.836 -6.346 -10.819 1.00 0.00 C ATOM 0 HA PRO A 75 112.743 -5.574 -9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.177 -8.278 -10.182 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.137 -7.247 -11.598 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.507 -8.389 -10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.268 -8.161 -11.873 1.00 0.00 H new ATOM 0 HD2 PRO A 75 116.770 -6.424 -10.263 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.086 -5.969 -11.811 1.00 0.00 H new ATOM 1177 N VAL A 76 112.615 -6.170 -7.550 1.00 0.00 N ATOM 1178 CA VAL A 76 112.526 -6.538 -6.106 1.00 0.00 C ATOM 1179 C VAL A 76 111.404 -7.560 -5.937 1.00 0.00 C ATOM 1180 O VAL A 76 110.355 -7.447 -6.544 1.00 0.00 O ATOM 1181 CB VAL A 76 112.216 -5.284 -5.269 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.397 -4.302 -6.103 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.431 -5.670 -4.008 1.00 0.00 C ATOM 0 H VAL A 76 111.858 -5.577 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 76 113.472 -6.961 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 76 113.154 -4.815 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.178 -3.415 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 76 111.964 -4.015 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.463 -4.774 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.218 -4.775 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.494 -6.148 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 76 112.023 -6.362 -3.408 1.00 0.00 H new ATOM 1193 N SER A 77 111.607 -8.547 -5.112 1.00 0.00 N ATOM 1194 CA SER A 77 110.539 -9.558 -4.902 1.00 0.00 C ATOM 1195 C SER A 77 109.336 -8.852 -4.286 1.00 0.00 C ATOM 1196 O SER A 77 109.155 -8.844 -3.095 1.00 0.00 O ATOM 1197 CB SER A 77 111.040 -10.647 -3.953 1.00 0.00 C ATOM 1198 OG SER A 77 111.987 -11.462 -4.631 1.00 0.00 O ATOM 0 H SER A 77 112.462 -8.696 -4.577 1.00 0.00 H new ATOM 0 HA SER A 77 110.263 -10.021 -5.849 1.00 0.00 H new ATOM 0 HB2 SER A 77 111.496 -10.196 -3.072 1.00 0.00 H new ATOM 0 HB3 SER A 77 110.205 -11.254 -3.604 1.00 0.00 H new ATOM 0 HG SER A 77 112.311 -12.160 -4.025 1.00 0.00 H new ATOM 1204 N LEU A 78 108.520 -8.242 -5.090 1.00 0.00 N ATOM 1205 CA LEU A 78 107.340 -7.518 -4.548 1.00 0.00 C ATOM 1206 C LEU A 78 106.123 -8.439 -4.540 1.00 0.00 C ATOM 1207 O LEU A 78 106.193 -9.585 -4.936 1.00 0.00 O ATOM 1208 CB LEU A 78 107.052 -6.316 -5.431 1.00 0.00 C ATOM 1209 CG LEU A 78 106.696 -6.785 -6.845 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.219 -7.205 -6.924 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.949 -5.637 -7.814 1.00 0.00 C ATOM 0 H LEU A 78 108.618 -8.212 -6.105 1.00 0.00 H new ATOM 0 HA LEU A 78 107.549 -7.194 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.230 -5.735 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.922 -5.660 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 78 107.312 -7.647 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 78 104.988 -7.534 -7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 78 105.035 -8.022 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.585 -6.357 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.700 -5.954 -8.827 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.328 -4.784 -7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 78 108.000 -5.350 -7.771 1.00 0.00 H new ATOM 1223 N THR A 79 105.004 -7.941 -4.091 1.00 0.00 N ATOM 1224 CA THR A 79 103.771 -8.773 -4.053 1.00 0.00 C ATOM 1225 C THR A 79 102.566 -7.931 -4.462 1.00 0.00 C ATOM 1226 O THR A 79 102.117 -7.072 -3.732 1.00 0.00 O ATOM 1227 CB THR A 79 103.568 -9.301 -2.635 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.256 -10.535 -2.495 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.083 -9.518 -2.349 1.00 0.00 C ATOM 0 H THR A 79 104.891 -6.987 -3.747 1.00 0.00 H new ATOM 0 HA THR A 79 103.874 -9.608 -4.746 1.00 0.00 H new ATOM 0 HB THR A 79 103.958 -8.569 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 79 105.212 -10.397 -2.659 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.959 -9.894 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.551 -8.573 -2.453 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.678 -10.242 -3.056 1.00 0.00 H new ATOM 1237 N MET A 80 102.028 -8.182 -5.618 1.00 0.00 N ATOM 1238 CA MET A 80 100.836 -7.406 -6.056 1.00 0.00 C ATOM 1239 C MET A 80 99.570 -8.112 -5.567 1.00 0.00 C ATOM 1240 O MET A 80 99.206 -9.163 -6.057 1.00 0.00 O ATOM 1241 CB MET A 80 100.805 -7.313 -7.583 1.00 0.00 C ATOM 1242 CG MET A 80 102.203 -6.988 -8.106 1.00 0.00 C ATOM 1243 SD MET A 80 102.080 -6.336 -9.790 1.00 0.00 S ATOM 1244 CE MET A 80 101.611 -7.886 -10.599 1.00 0.00 C ATOM 0 H MET A 80 102.358 -8.887 -6.277 1.00 0.00 H new ATOM 0 HA MET A 80 100.887 -6.401 -5.637 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.457 -8.255 -8.008 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.101 -6.542 -7.896 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.685 -6.258 -7.456 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.824 -7.884 -8.096 1.00 0.00 H new ATOM 0 HE1 MET A 80 101.788 -7.805 -11.671 1.00 0.00 H new ATOM 0 HE2 MET A 80 102.208 -8.703 -10.193 1.00 0.00 H new ATOM 0 HE3 MET A 80 100.554 -8.085 -10.420 1.00 0.00 H new ATOM 1254 N CYS A 81 98.893 -7.545 -4.605 1.00 0.00 N ATOM 1255 CA CYS A 81 97.649 -8.186 -4.100 1.00 0.00 C ATOM 1256 C CYS A 81 96.455 -7.599 -4.842 1.00 0.00 C ATOM 1257 O CYS A 81 96.477 -6.457 -5.252 1.00 0.00 O ATOM 1258 CB CYS A 81 97.481 -7.900 -2.610 1.00 0.00 C ATOM 1259 SG CYS A 81 99.057 -8.125 -1.759 1.00 0.00 S ATOM 0 H CYS A 81 99.148 -6.669 -4.149 1.00 0.00 H new ATOM 0 HA CYS A 81 97.711 -9.262 -4.260 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.122 -6.881 -2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.730 -8.566 -2.185 1.00 0.00 H new ATOM 1264 N LYS A 82 95.409 -8.361 -5.018 1.00 0.00 N ATOM 1265 CA LYS A 82 94.225 -7.832 -5.727 1.00 0.00 C ATOM 1266 C LYS A 82 92.964 -8.260 -4.974 1.00 0.00 C ATOM 1267 O LYS A 82 92.958 -9.258 -4.281 1.00 0.00 O ATOM 1268 CB LYS A 82 94.206 -8.381 -7.160 1.00 0.00 C ATOM 1269 CG LYS A 82 93.277 -9.590 -7.234 1.00 0.00 C ATOM 1270 CD LYS A 82 93.493 -10.326 -8.557 1.00 0.00 C ATOM 1271 CE LYS A 82 92.501 -11.486 -8.665 1.00 0.00 C ATOM 1272 NZ LYS A 82 92.895 -12.373 -9.796 1.00 0.00 N ATOM 0 H LYS A 82 95.330 -9.326 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 82 94.264 -6.743 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.870 -7.609 -7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.213 -8.665 -7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.471 -10.261 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.239 -9.269 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.358 -9.640 -9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.515 -10.701 -8.614 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.484 -12.052 -7.734 1.00 0.00 H new ATOM 0 HE3 LYS A 82 91.493 -11.103 -8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.221 -13.162 -9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.889 -11.829 -10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.850 -12.748 -9.626 1.00 0.00 H new ATOM 1286 N LEU A 83 91.896 -7.526 -5.103 1.00 0.00 N ATOM 1287 CA LEU A 83 90.654 -7.923 -4.388 1.00 0.00 C ATOM 1288 C LEU A 83 90.041 -9.115 -5.103 1.00 0.00 C ATOM 1289 O LEU A 83 89.525 -9.008 -6.198 1.00 0.00 O ATOM 1290 CB LEU A 83 89.651 -6.763 -4.354 1.00 0.00 C ATOM 1291 CG LEU A 83 88.310 -7.236 -3.763 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.555 -8.102 -2.530 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.475 -6.028 -3.336 1.00 0.00 C ATOM 0 H LEU A 83 91.829 -6.678 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 83 90.900 -8.187 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.051 -5.944 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.497 -6.377 -5.361 1.00 0.00 H new ATOM 0 HG LEU A 83 87.784 -7.810 -4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.600 -8.431 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.149 -8.972 -2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.091 -7.522 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.528 -6.370 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.019 -5.458 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.283 -5.394 -4.202 1.00 0.00 H new ATOM 1305 N THR A 84 90.101 -10.253 -4.485 1.00 0.00 N ATOM 1306 CA THR A 84 89.530 -11.469 -5.114 1.00 0.00 C ATOM 1307 C THR A 84 88.015 -11.316 -5.209 1.00 0.00 C ATOM 1308 O THR A 84 87.439 -11.516 -6.259 1.00 0.00 O ATOM 1309 CB THR A 84 89.886 -12.705 -4.281 1.00 0.00 C ATOM 1310 OG1 THR A 84 89.162 -12.677 -3.061 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.393 -12.722 -3.989 1.00 0.00 C ATOM 0 H THR A 84 90.522 -10.396 -3.567 1.00 0.00 H new ATOM 0 HA THR A 84 89.945 -11.594 -6.114 1.00 0.00 H new ATOM 0 HB THR A 84 89.622 -13.603 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.374 -11.854 -2.573 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.639 -13.603 -3.397 1.00 0.00 H new ATOM 0 HG22 THR A 84 91.945 -12.751 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.666 -11.824 -3.435 1.00 0.00 H new ATOM 1319 N SER A 85 87.359 -10.946 -4.133 1.00 0.00 N ATOM 1320 CA SER A 85 85.872 -10.771 -4.212 1.00 0.00 C ATOM 1321 C SER A 85 85.234 -10.777 -2.817 1.00 0.00 C ATOM 1322 O SER A 85 85.704 -11.421 -1.900 1.00 0.00 O ATOM 1323 CB SER A 85 85.260 -11.909 -5.041 1.00 0.00 C ATOM 1324 OG SER A 85 86.096 -13.055 -4.955 1.00 0.00 O ATOM 0 H SER A 85 87.778 -10.761 -3.222 1.00 0.00 H new ATOM 0 HA SER A 85 85.674 -9.808 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 85 84.261 -12.145 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 85 85.153 -11.600 -6.081 1.00 0.00 H new ATOM 0 HG SER A 85 86.660 -13.109 -5.754 1.00 0.00 H new ATOM 1330 N GLY A 86 84.150 -10.060 -2.670 1.00 0.00 N ATOM 1331 CA GLY A 86 83.436 -9.999 -1.377 1.00 0.00 C ATOM 1332 C GLY A 86 82.680 -8.677 -1.327 1.00 0.00 C ATOM 1333 O GLY A 86 81.504 -8.607 -1.623 1.00 0.00 O ATOM 0 H GLY A 86 83.727 -9.505 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.746 -10.838 -1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.140 -10.069 -0.548 1.00 0.00 H new ATOM 1337 N LYS A 87 83.361 -7.630 -0.965 1.00 0.00 N ATOM 1338 CA LYS A 87 82.725 -6.284 -0.887 1.00 0.00 C ATOM 1339 C LYS A 87 83.694 -5.355 -0.145 1.00 0.00 C ATOM 1340 O LYS A 87 84.852 -5.270 -0.498 1.00 0.00 O ATOM 1341 CB LYS A 87 81.387 -6.385 -0.137 1.00 0.00 C ATOM 1342 CG LYS A 87 81.504 -7.405 1.004 1.00 0.00 C ATOM 1343 CD LYS A 87 80.271 -7.318 1.914 1.00 0.00 C ATOM 1344 CE LYS A 87 79.151 -8.193 1.345 1.00 0.00 C ATOM 1345 NZ LYS A 87 79.595 -9.615 1.322 1.00 0.00 N ATOM 0 H LYS A 87 84.350 -7.648 -0.715 1.00 0.00 H new ATOM 0 HA LYS A 87 82.521 -5.891 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.109 -5.410 0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 87 80.596 -6.685 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 87 81.594 -8.411 0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 87 82.408 -7.214 1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 87 80.526 -7.646 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 87 79.935 -6.284 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 87 78.252 -8.091 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 87 78.894 -7.865 0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 78.775 -10.237 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 80.028 -9.829 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 80.292 -9.773 2.077 1.00 0.00 H new ATOM 1359 N TYR A 88 83.258 -4.676 0.884 1.00 0.00 N ATOM 1360 CA TYR A 88 84.195 -3.792 1.638 1.00 0.00 C ATOM 1361 C TYR A 88 84.473 -4.411 3.021 1.00 0.00 C ATOM 1362 O TYR A 88 85.613 -4.574 3.406 1.00 0.00 O ATOM 1363 CB TYR A 88 83.614 -2.375 1.778 1.00 0.00 C ATOM 1364 CG TYR A 88 84.044 -1.791 3.102 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.378 -1.908 3.517 1.00 0.00 C ATOM 1366 CD2 TYR A 88 83.108 -1.167 3.926 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.769 -1.398 4.756 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.497 -0.663 5.172 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.828 -0.780 5.588 1.00 0.00 C ATOM 1370 OH TYR A 88 85.212 -0.290 6.820 1.00 0.00 O ATOM 0 H TYR A 88 82.300 -4.695 1.233 1.00 0.00 H new ATOM 0 HA TYR A 88 85.133 -3.709 1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 88 83.960 -1.744 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.526 -2.407 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.102 -2.392 2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 88 82.082 -1.073 3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.798 -1.480 5.073 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.771 -0.184 5.812 1.00 0.00 H new ATOM 0 HH TYR A 88 86.181 -0.145 6.827 1.00 0.00 H new ATOM 1380 N PRO A 89 83.455 -4.759 3.767 1.00 0.00 N ATOM 1381 CA PRO A 89 83.635 -5.372 5.110 1.00 0.00 C ATOM 1382 C PRO A 89 83.890 -6.886 5.023 1.00 0.00 C ATOM 1383 O PRO A 89 84.037 -7.557 6.026 1.00 0.00 O ATOM 1384 CB PRO A 89 82.302 -5.092 5.801 1.00 0.00 C ATOM 1385 CG PRO A 89 81.295 -5.082 4.697 1.00 0.00 C ATOM 1386 CD PRO A 89 82.028 -4.605 3.435 1.00 0.00 C ATOM 0 HA PRO A 89 84.498 -4.967 5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 89 82.071 -5.859 6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 89 82.322 -4.138 6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.875 -6.077 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.465 -4.418 4.937 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.754 -5.203 2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.783 -3.569 3.200 1.00 0.00 H new ATOM 1394 N ASN A 90 83.936 -7.430 3.831 1.00 0.00 N ATOM 1395 CA ASN A 90 84.172 -8.900 3.686 1.00 0.00 C ATOM 1396 C ASN A 90 84.933 -9.182 2.385 1.00 0.00 C ATOM 1397 O ASN A 90 84.759 -10.212 1.763 1.00 0.00 O ATOM 1398 CB ASN A 90 82.826 -9.627 3.653 1.00 0.00 C ATOM 1399 CG ASN A 90 83.041 -11.116 3.929 1.00 0.00 C ATOM 1400 OD1 ASN A 90 83.376 -11.499 5.033 1.00 0.00 O ATOM 1401 ND2 ASN A 90 82.860 -11.979 2.967 1.00 0.00 N ATOM 0 H ASN A 90 83.821 -6.921 2.955 1.00 0.00 H new ATOM 0 HA ASN A 90 84.763 -9.254 4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 90 82.153 -9.202 4.398 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.352 -9.492 2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 90 83.000 -12.974 3.142 1.00 0.00 H new ATOM 0 HD22 ASN A 90 82.579 -11.658 2.040 1.00 0.00 H new ATOM 1408 N CYS A 91 85.771 -8.276 1.970 1.00 0.00 N ATOM 1409 CA CYS A 91 86.546 -8.474 0.714 1.00 0.00 C ATOM 1410 C CYS A 91 87.792 -9.314 1.004 1.00 0.00 C ATOM 1411 O CYS A 91 88.578 -8.995 1.874 1.00 0.00 O ATOM 1412 CB CYS A 91 86.952 -7.098 0.182 1.00 0.00 C ATOM 1413 SG CYS A 91 86.574 -5.855 1.436 1.00 0.00 S ATOM 0 H CYS A 91 85.955 -7.396 2.453 1.00 0.00 H new ATOM 0 HA CYS A 91 85.941 -8.997 -0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.016 -7.084 -0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.417 -6.877 -0.742 1.00 0.00 H new ATOM 1418 N ARG A 92 87.982 -10.379 0.270 1.00 0.00 N ATOM 1419 CA ARG A 92 89.184 -11.238 0.486 1.00 0.00 C ATOM 1420 C ARG A 92 90.170 -10.984 -0.654 1.00 0.00 C ATOM 1421 O ARG A 92 89.783 -10.909 -1.810 1.00 0.00 O ATOM 1422 CB ARG A 92 88.769 -12.714 0.501 1.00 0.00 C ATOM 1423 CG ARG A 92 87.550 -12.914 -0.401 1.00 0.00 C ATOM 1424 CD ARG A 92 87.365 -14.405 -0.689 1.00 0.00 C ATOM 1425 NE ARG A 92 87.181 -15.139 0.595 1.00 0.00 N ATOM 1426 CZ ARG A 92 87.386 -16.427 0.645 1.00 0.00 C ATOM 1427 NH1 ARG A 92 87.754 -17.072 -0.428 1.00 0.00 N ATOM 1428 NH2 ARG A 92 87.225 -17.070 1.769 1.00 0.00 N ATOM 0 H ARG A 92 87.355 -10.692 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 92 89.651 -10.998 1.441 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.594 -13.338 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.536 -13.026 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.658 -12.513 0.081 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.682 -12.366 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 92 86.500 -14.557 -1.335 1.00 0.00 H new ATOM 0 HD3 ARG A 92 88.233 -14.794 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 92 86.895 -14.635 1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 92 87.882 -16.570 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 92 87.914 -18.079 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 92 86.939 -16.566 2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 92 87.385 -18.077 1.808 1.00 0.00 H new ATOM 1442 N TYR A 93 91.434 -10.827 -0.338 1.00 0.00 N ATOM 1443 CA TYR A 93 92.444 -10.553 -1.395 1.00 0.00 C ATOM 1444 C TYR A 93 93.387 -11.739 -1.552 1.00 0.00 C ATOM 1445 O TYR A 93 93.501 -12.587 -0.690 1.00 0.00 O ATOM 1446 CB TYR A 93 93.264 -9.329 -0.998 1.00 0.00 C ATOM 1447 CG TYR A 93 92.351 -8.141 -0.867 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.434 -8.075 0.189 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.416 -7.107 -1.804 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.584 -6.975 0.307 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.566 -6.008 -1.687 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.651 -5.940 -0.634 1.00 0.00 C ATOM 1453 OH TYR A 93 89.824 -4.850 -0.522 1.00 0.00 O ATOM 0 H TYR A 93 91.805 -10.878 0.611 1.00 0.00 H new ATOM 0 HA TYR A 93 91.925 -10.379 -2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.779 -9.512 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 93 94.031 -9.132 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.385 -8.876 0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.124 -7.159 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 93 89.877 -6.922 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.615 -5.208 -2.411 1.00 0.00 H new ATOM 0 HH TYR A 93 89.478 -4.794 0.393 1.00 0.00 H new ATOM 1463 N LYS A 94 94.086 -11.770 -2.647 1.00 0.00 N ATOM 1464 CA LYS A 94 95.067 -12.853 -2.904 1.00 0.00 C ATOM 1465 C LYS A 94 96.429 -12.191 -3.070 1.00 0.00 C ATOM 1466 O LYS A 94 96.550 -11.160 -3.708 1.00 0.00 O ATOM 1467 CB LYS A 94 94.693 -13.605 -4.189 1.00 0.00 C ATOM 1468 CG LYS A 94 93.900 -14.872 -3.843 1.00 0.00 C ATOM 1469 CD LYS A 94 94.852 -15.965 -3.346 1.00 0.00 C ATOM 1470 CE LYS A 94 94.153 -17.324 -3.420 1.00 0.00 C ATOM 1471 NZ LYS A 94 92.964 -17.321 -2.522 1.00 0.00 N ATOM 0 H LYS A 94 94.017 -11.075 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 94 95.078 -13.570 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 94 94.100 -12.961 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.595 -13.870 -4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 94 93.158 -14.649 -3.077 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.357 -15.222 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.758 -15.977 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 94 95.158 -15.757 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 94 93.847 -17.532 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 94 94.842 -18.116 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 92.629 -18.296 -2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 93.225 -16.913 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 92.207 -16.752 -2.951 1.00 0.00 H new ATOM 1485 N GLU A 95 97.448 -12.756 -2.494 1.00 0.00 N ATOM 1486 CA GLU A 95 98.795 -12.142 -2.608 1.00 0.00 C ATOM 1487 C GLU A 95 99.526 -12.740 -3.813 1.00 0.00 C ATOM 1488 O GLU A 95 99.696 -13.938 -3.920 1.00 0.00 O ATOM 1489 CB GLU A 95 99.575 -12.407 -1.308 1.00 0.00 C ATOM 1490 CG GLU A 95 100.415 -13.679 -1.440 1.00 0.00 C ATOM 1491 CD GLU A 95 100.976 -14.064 -0.070 1.00 0.00 C ATOM 1492 OE1 GLU A 95 101.084 -13.188 0.772 1.00 0.00 O ATOM 1493 OE2 GLU A 95 101.288 -15.229 0.114 1.00 0.00 O ATOM 0 H GLU A 95 97.407 -13.617 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 95 98.710 -11.065 -2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.221 -11.558 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 95 98.881 -12.507 -0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.805 -14.491 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.229 -13.518 -2.146 1.00 0.00 H new ATOM 1500 N LYS A 96 99.961 -11.913 -4.722 1.00 0.00 N ATOM 1501 CA LYS A 96 100.687 -12.432 -5.915 1.00 0.00 C ATOM 1502 C LYS A 96 102.154 -12.022 -5.810 1.00 0.00 C ATOM 1503 O LYS A 96 102.498 -10.872 -5.971 1.00 0.00 O ATOM 1504 CB LYS A 96 100.073 -11.825 -7.181 1.00 0.00 C ATOM 1505 CG LYS A 96 100.503 -12.636 -8.407 1.00 0.00 C ATOM 1506 CD LYS A 96 99.660 -12.220 -9.615 1.00 0.00 C ATOM 1507 CE LYS A 96 99.758 -10.705 -9.815 1.00 0.00 C ATOM 1508 NZ LYS A 96 99.367 -10.362 -11.211 1.00 0.00 N ATOM 0 H LYS A 96 99.845 -10.900 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 96 100.609 -13.518 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 96 98.986 -11.818 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.392 -10.788 -7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 96 101.560 -12.470 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 96 100.379 -13.701 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 96 100.008 -12.738 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 96 98.620 -12.510 -9.463 1.00 0.00 H new ATOM 0 HE2 LYS A 96 99.108 -10.191 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 96 100.775 -10.366 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 99.024 -9.381 -11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 100.191 -10.462 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 98.612 -11.003 -11.527 1.00 0.00 H new ATOM 1522 N ARG A 97 103.021 -12.954 -5.536 1.00 0.00 N ATOM 1523 CA ARG A 97 104.466 -12.612 -5.411 1.00 0.00 C ATOM 1524 C ARG A 97 105.076 -12.385 -6.794 1.00 0.00 C ATOM 1525 O ARG A 97 105.266 -13.311 -7.557 1.00 0.00 O ATOM 1526 CB ARG A 97 105.205 -13.760 -4.716 1.00 0.00 C ATOM 1527 CG ARG A 97 106.715 -13.618 -4.949 1.00 0.00 C ATOM 1528 CD ARG A 97 107.474 -14.447 -3.911 1.00 0.00 C ATOM 1529 NE ARG A 97 106.880 -15.811 -3.833 1.00 0.00 N ATOM 1530 CZ ARG A 97 107.131 -16.574 -2.804 1.00 0.00 C ATOM 1531 NH1 ARG A 97 107.902 -16.142 -1.844 1.00 0.00 N ATOM 1532 NH2 ARG A 97 106.610 -17.768 -2.735 1.00 0.00 N ATOM 0 H ARG A 97 102.793 -13.938 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 97 104.563 -11.699 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 97 104.989 -13.750 -3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 97 104.856 -14.717 -5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 97 106.971 -13.952 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 97 107.007 -12.570 -4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 97 108.528 -14.513 -4.182 1.00 0.00 H new ATOM 0 HD3 ARG A 97 107.426 -13.961 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 97 106.277 -16.149 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.309 -15.208 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 97 108.098 -16.738 -1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 97 106.007 -18.105 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 97 106.806 -18.364 -1.931 1.00 0.00 H new ATOM 1546 N GLN A 98 105.408 -11.160 -7.112 1.00 0.00 N ATOM 1547 CA GLN A 98 106.033 -10.871 -8.435 1.00 0.00 C ATOM 1548 C GLN A 98 107.413 -10.255 -8.190 1.00 0.00 C ATOM 1549 O GLN A 98 107.737 -9.876 -7.087 1.00 0.00 O ATOM 1550 CB GLN A 98 105.148 -9.887 -9.217 1.00 0.00 C ATOM 1551 CG GLN A 98 104.602 -10.563 -10.480 1.00 0.00 C ATOM 1552 CD GLN A 98 103.586 -11.637 -10.088 1.00 0.00 C ATOM 1553 OE1 GLN A 98 103.824 -12.414 -9.186 1.00 0.00 O ATOM 1554 NE2 GLN A 98 102.455 -11.713 -10.734 1.00 0.00 N ATOM 0 H GLN A 98 105.273 -10.347 -6.511 1.00 0.00 H new ATOM 0 HA GLN A 98 106.134 -11.787 -9.016 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.323 -9.549 -8.590 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.725 -9.003 -9.488 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.132 -9.822 -11.127 1.00 0.00 H new ATOM 0 HG3 GLN A 98 105.418 -11.010 -11.047 1.00 0.00 H new ATOM 0 HE21 GLN A 98 102.256 -11.060 -11.492 1.00 0.00 H new ATOM 0 HE22 GLN A 98 101.770 -12.425 -10.481 1.00 0.00 H new ATOM 1563 N ASN A 99 108.223 -10.149 -9.206 1.00 0.00 N ATOM 1564 CA ASN A 99 109.580 -9.543 -9.031 1.00 0.00 C ATOM 1565 C ASN A 99 109.772 -8.472 -10.094 1.00 0.00 C ATOM 1566 O ASN A 99 109.943 -8.764 -11.261 1.00 0.00 O ATOM 1567 CB ASN A 99 110.649 -10.626 -9.192 1.00 0.00 C ATOM 1568 CG ASN A 99 110.354 -11.453 -10.444 1.00 0.00 C ATOM 1569 OD1 ASN A 99 110.638 -11.029 -11.547 1.00 0.00 O ATOM 1570 ND2 ASN A 99 109.793 -12.624 -10.321 1.00 0.00 N ATOM 0 H ASN A 99 108.006 -10.456 -10.154 1.00 0.00 H new ATOM 0 HA ASN A 99 109.668 -9.102 -8.038 1.00 0.00 H new ATOM 0 HB2 ASN A 99 111.636 -10.169 -9.269 1.00 0.00 H new ATOM 0 HB3 ASN A 99 110.664 -11.270 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 99 109.593 -13.183 -11.150 1.00 0.00 H new ATOM 0 HD22 ASN A 99 109.554 -12.981 -9.396 1.00 0.00 H new ATOM 1577 N LYS A 100 109.751 -7.234 -9.697 1.00 0.00 N ATOM 1578 CA LYS A 100 109.929 -6.131 -10.680 1.00 0.00 C ATOM 1579 C LYS A 100 110.409 -4.886 -9.942 1.00 0.00 C ATOM 1580 O LYS A 100 110.219 -4.749 -8.750 1.00 0.00 O ATOM 1581 CB LYS A 100 108.594 -5.818 -11.382 1.00 0.00 C ATOM 1582 CG LYS A 100 107.679 -7.049 -11.390 1.00 0.00 C ATOM 1583 CD LYS A 100 106.315 -6.670 -11.982 1.00 0.00 C ATOM 1584 CE LYS A 100 105.785 -7.815 -12.850 1.00 0.00 C ATOM 1585 NZ LYS A 100 106.154 -9.120 -12.234 1.00 0.00 N ATOM 0 H LYS A 100 109.618 -6.936 -8.731 1.00 0.00 H new ATOM 0 HA LYS A 100 110.660 -6.434 -11.430 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.096 -4.993 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.784 -5.494 -12.405 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.132 -7.848 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.554 -7.429 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 100 105.609 -6.453 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.408 -5.763 -12.579 1.00 0.00 H new ATOM 0 HE2 LYS A 100 104.702 -7.740 -12.947 1.00 0.00 H new ATOM 0 HE3 LYS A 100 106.200 -7.745 -13.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 105.452 -9.840 -12.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 107.093 -9.410 -12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 106.174 -9.022 -11.199 1.00 0.00 H new ATOM 1599 N SER A 101 111.015 -3.970 -10.639 1.00 0.00 N ATOM 1600 CA SER A 101 111.490 -2.731 -9.971 1.00 0.00 C ATOM 1601 C SER A 101 110.304 -1.779 -9.866 1.00 0.00 C ATOM 1602 O SER A 101 109.708 -1.416 -10.854 1.00 0.00 O ATOM 1603 CB SER A 101 112.603 -2.094 -10.804 1.00 0.00 C ATOM 1604 OG SER A 101 113.317 -3.114 -11.489 1.00 0.00 O ATOM 0 H SER A 101 111.202 -4.025 -11.640 1.00 0.00 H new ATOM 0 HA SER A 101 111.886 -2.953 -8.980 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.180 -1.387 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.278 -1.531 -10.160 1.00 0.00 H new ATOM 0 HG SER A 101 114.031 -2.710 -12.025 1.00 0.00 H new ATOM 1610 N TYR A 102 109.935 -1.398 -8.678 1.00 0.00 N ATOM 1611 CA TYR A 102 108.761 -0.500 -8.517 1.00 0.00 C ATOM 1612 C TYR A 102 109.217 0.920 -8.283 1.00 0.00 C ATOM 1613 O TYR A 102 110.381 1.227 -8.389 1.00 0.00 O ATOM 1614 CB TYR A 102 107.972 -0.946 -7.297 1.00 0.00 C ATOM 1615 CG TYR A 102 108.931 -1.207 -6.152 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.764 -0.188 -5.654 1.00 0.00 C ATOM 1617 CD2 TYR A 102 108.971 -2.471 -5.572 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.630 -0.453 -4.585 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.826 -2.728 -4.498 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.660 -1.721 -4.007 1.00 0.00 C ATOM 1621 OH TYR A 102 111.505 -1.979 -2.948 1.00 0.00 O ATOM 0 H TYR A 102 110.396 -1.670 -7.810 1.00 0.00 H new ATOM 0 HA TYR A 102 108.152 -0.546 -9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.250 -0.179 -7.015 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.405 -1.849 -7.525 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.736 0.797 -6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.337 -3.258 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.275 0.327 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.842 -3.709 -4.046 1.00 0.00 H new ATOM 0 HH TYR A 102 111.238 -2.816 -2.513 1.00 0.00 H new ATOM 1631 N VAL A 103 108.301 1.783 -7.934 1.00 0.00 N ATOM 1632 CA VAL A 103 108.678 3.192 -7.656 1.00 0.00 C ATOM 1633 C VAL A 103 108.050 3.631 -6.353 1.00 0.00 C ATOM 1634 O VAL A 103 106.855 3.805 -6.254 1.00 0.00 O ATOM 1635 CB VAL A 103 108.184 4.100 -8.770 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.115 5.310 -8.911 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.162 3.306 -10.062 1.00 0.00 C ATOM 0 H VAL A 103 107.309 1.570 -7.830 1.00 0.00 H new ATOM 0 HA VAL A 103 109.764 3.259 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 103 107.182 4.462 -8.540 1.00 0.00 H new ATOM 0 HG11 VAL A 103 108.754 5.956 -9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.131 5.868 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.123 4.968 -9.147 1.00 0.00 H new ATOM 0 HG21 VAL A 103 107.810 3.942 -10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.168 2.952 -10.289 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.493 2.452 -9.953 1.00 0.00 H new ATOM 1647 N VAL A 104 108.853 3.826 -5.360 1.00 0.00 N ATOM 1648 CA VAL A 104 108.314 4.279 -4.053 1.00 0.00 C ATOM 1649 C VAL A 104 108.799 5.706 -3.796 1.00 0.00 C ATOM 1650 O VAL A 104 109.884 6.083 -4.196 1.00 0.00 O ATOM 1651 CB VAL A 104 108.767 3.321 -2.925 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.641 2.209 -3.500 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.555 4.076 -1.847 1.00 0.00 C ATOM 0 H VAL A 104 109.864 3.692 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 104 107.224 4.269 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 104 107.874 2.890 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.954 1.541 -2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.073 1.646 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.521 2.645 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.862 3.380 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.438 4.532 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.926 4.853 -1.414 1.00 0.00 H new ATOM 1663 N ALA A 105 108.007 6.503 -3.132 1.00 0.00 N ATOM 1664 CA ALA A 105 108.429 7.894 -2.841 1.00 0.00 C ATOM 1665 C ALA A 105 108.996 7.915 -1.435 1.00 0.00 C ATOM 1666 O ALA A 105 108.828 6.974 -0.687 1.00 0.00 O ATOM 1667 CB ALA A 105 107.227 8.833 -2.939 1.00 0.00 C ATOM 0 H ALA A 105 107.085 6.246 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 105 109.179 8.228 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.544 9.853 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.810 8.787 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.468 8.529 -2.218 1.00 0.00 H new ATOM 1673 N CYS A 106 109.686 8.952 -1.061 1.00 0.00 N ATOM 1674 CA CYS A 106 110.266 8.963 0.314 1.00 0.00 C ATOM 1675 C CYS A 106 109.988 10.291 1.015 1.00 0.00 C ATOM 1676 O CYS A 106 109.808 11.318 0.391 1.00 0.00 O ATOM 1677 CB CYS A 106 111.777 8.716 0.234 1.00 0.00 C ATOM 1678 SG CYS A 106 112.334 8.848 -1.484 1.00 0.00 S ATOM 0 H CYS A 106 109.873 9.777 -1.630 1.00 0.00 H new ATOM 0 HA CYS A 106 109.797 8.170 0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.306 9.440 0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 106 112.014 7.727 0.627 1.00 0.00 H new ATOM 1683 N LYS A 107 109.950 10.265 2.324 1.00 0.00 N ATOM 1684 CA LYS A 107 109.679 11.515 3.093 1.00 0.00 C ATOM 1685 C LYS A 107 110.412 11.462 4.437 1.00 0.00 C ATOM 1686 O LYS A 107 110.779 10.402 4.915 1.00 0.00 O ATOM 1687 CB LYS A 107 108.171 11.635 3.346 1.00 0.00 C ATOM 1688 CG LYS A 107 107.506 12.329 2.154 1.00 0.00 C ATOM 1689 CD LYS A 107 106.000 12.462 2.409 1.00 0.00 C ATOM 1690 CE LYS A 107 105.750 13.420 3.579 1.00 0.00 C ATOM 1691 NZ LYS A 107 104.397 14.029 3.439 1.00 0.00 N ATOM 0 H LYS A 107 110.095 9.431 2.892 1.00 0.00 H new ATOM 0 HA LYS A 107 110.029 12.375 2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.737 10.646 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.989 12.202 4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.947 13.314 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 107 107.681 11.757 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 107 105.502 12.832 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 107 105.572 11.484 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 107 105.823 12.883 4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 107 106.512 14.199 3.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 104.225 14.680 4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 104.344 14.554 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 103.676 13.279 3.444 1.00 0.00 H new ATOM 1705 N PRO A 108 110.612 12.603 5.048 1.00 0.00 N ATOM 1706 CA PRO A 108 111.293 12.692 6.370 1.00 0.00 C ATOM 1707 C PRO A 108 110.467 12.012 7.477 1.00 0.00 C ATOM 1708 O PRO A 108 109.272 12.211 7.572 1.00 0.00 O ATOM 1709 CB PRO A 108 111.408 14.201 6.632 1.00 0.00 C ATOM 1710 CG PRO A 108 110.371 14.836 5.764 1.00 0.00 C ATOM 1711 CD PRO A 108 110.222 13.931 4.544 1.00 0.00 C ATOM 0 HA PRO A 108 112.259 12.186 6.368 1.00 0.00 H new ATOM 0 HB2 PRO A 108 111.235 14.431 7.683 1.00 0.00 H new ATOM 0 HB3 PRO A 108 112.404 14.568 6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 108 109.424 14.931 6.296 1.00 0.00 H new ATOM 0 HG3 PRO A 108 110.673 15.841 5.468 1.00 0.00 H new ATOM 0 HD2 PRO A 108 109.199 13.932 4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 108 110.865 14.253 3.725 1.00 0.00 H new ATOM 1719 N PRO A 109 111.097 11.222 8.308 1.00 0.00 N ATOM 1720 CA PRO A 109 110.408 10.513 9.422 1.00 0.00 C ATOM 1721 C PRO A 109 109.494 11.452 10.216 1.00 0.00 C ATOM 1722 O PRO A 109 109.953 12.321 10.930 1.00 0.00 O ATOM 1723 CB PRO A 109 111.557 10.008 10.300 1.00 0.00 C ATOM 1724 CG PRO A 109 112.752 9.928 9.411 1.00 0.00 C ATOM 1725 CD PRO A 109 112.533 10.926 8.277 1.00 0.00 C ATOM 0 HA PRO A 109 109.760 9.715 9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.737 10.686 11.135 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.322 9.033 10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.661 10.166 9.964 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.873 8.919 9.018 1.00 0.00 H new ATOM 0 HD2 PRO A 109 113.126 11.829 8.425 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.829 10.504 7.317 1.00 0.00 H new ATOM 1733 N GLN A 110 108.204 11.286 10.098 1.00 0.00 N ATOM 1734 CA GLN A 110 107.270 12.174 10.849 1.00 0.00 C ATOM 1735 C GLN A 110 107.720 12.253 12.306 1.00 0.00 C ATOM 1736 O GLN A 110 108.446 13.145 12.699 1.00 0.00 O ATOM 1737 CB GLN A 110 105.849 11.600 10.795 1.00 0.00 C ATOM 1738 CG GLN A 110 105.464 11.292 9.347 1.00 0.00 C ATOM 1739 CD GLN A 110 105.013 12.576 8.649 1.00 0.00 C ATOM 1740 OE1 GLN A 110 105.827 13.334 8.161 1.00 0.00 O ATOM 1741 NE2 GLN A 110 103.740 12.854 8.580 1.00 0.00 N ATOM 0 H GLN A 110 107.758 10.577 9.516 1.00 0.00 H new ATOM 0 HA GLN A 110 107.276 13.167 10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.791 10.693 11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 110 105.144 12.312 11.224 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.314 10.859 8.819 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.663 10.553 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 110 103.056 12.218 8.990 1.00 0.00 H new ATOM 0 HE22 GLN A 110 103.429 13.708 8.116 1.00 0.00 H new ATOM 1750 N LYS A 111 107.294 11.318 13.107 1.00 0.00 N ATOM 1751 CA LYS A 111 107.685 11.311 14.540 1.00 0.00 C ATOM 1752 C LYS A 111 107.982 9.877 14.962 1.00 0.00 C ATOM 1753 O LYS A 111 108.858 9.622 15.764 1.00 0.00 O ATOM 1754 CB LYS A 111 106.534 11.857 15.381 1.00 0.00 C ATOM 1755 CG LYS A 111 105.292 10.976 15.186 1.00 0.00 C ATOM 1756 CD LYS A 111 104.028 11.815 15.381 1.00 0.00 C ATOM 1757 CE LYS A 111 104.001 12.375 16.805 1.00 0.00 C ATOM 1758 NZ LYS A 111 102.702 13.066 17.041 1.00 0.00 N ATOM 0 H LYS A 111 106.685 10.550 12.825 1.00 0.00 H new ATOM 0 HA LYS A 111 108.568 11.932 14.687 1.00 0.00 H new ATOM 0 HB2 LYS A 111 106.817 11.877 16.434 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.313 12.884 15.091 1.00 0.00 H new ATOM 0 HG2 LYS A 111 105.299 10.538 14.188 1.00 0.00 H new ATOM 0 HG3 LYS A 111 105.305 10.150 15.897 1.00 0.00 H new ATOM 0 HD2 LYS A 111 104.005 12.630 14.658 1.00 0.00 H new ATOM 0 HD3 LYS A 111 103.143 11.205 15.202 1.00 0.00 H new ATOM 0 HE2 LYS A 111 104.133 11.569 17.527 1.00 0.00 H new ATOM 0 HE3 LYS A 111 104.827 13.071 16.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 102.682 13.447 18.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 102.594 13.845 16.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 101.922 12.389 16.920 1.00 0.00 H new ATOM 1772 N LYS A 112 107.261 8.932 14.422 1.00 0.00 N ATOM 1773 CA LYS A 112 107.510 7.518 14.791 1.00 0.00 C ATOM 1774 C LYS A 112 108.948 7.163 14.419 1.00 0.00 C ATOM 1775 O LYS A 112 109.624 6.464 15.145 1.00 0.00 O ATOM 1776 CB LYS A 112 106.522 6.613 14.040 1.00 0.00 C ATOM 1777 CG LYS A 112 105.983 5.540 14.984 1.00 0.00 C ATOM 1778 CD LYS A 112 107.111 4.577 15.362 1.00 0.00 C ATOM 1779 CE LYS A 112 106.538 3.415 16.175 1.00 0.00 C ATOM 1780 NZ LYS A 112 105.461 2.744 15.394 1.00 0.00 N ATOM 0 H LYS A 112 106.514 9.082 13.744 1.00 0.00 H new ATOM 0 HA LYS A 112 107.368 7.374 15.862 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.699 7.208 13.643 1.00 0.00 H new ATOM 0 HB3 LYS A 112 107.017 6.146 13.189 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.571 6.003 15.880 1.00 0.00 H new ATOM 0 HG3 LYS A 112 105.170 4.994 14.505 1.00 0.00 H new ATOM 0 HD2 LYS A 112 107.599 4.200 14.463 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.871 5.100 15.942 1.00 0.00 H new ATOM 0 HE2 LYS A 112 107.326 2.701 16.414 1.00 0.00 H new ATOM 0 HE3 LYS A 112 106.141 3.781 17.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 105.509 1.717 15.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 104.534 3.098 15.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 105.587 2.949 14.382 1.00 0.00 H new ATOM 1794 N ASP A 113 109.424 7.659 13.298 1.00 0.00 N ATOM 1795 CA ASP A 113 110.831 7.372 12.873 1.00 0.00 C ATOM 1796 C ASP A 113 111.317 6.059 13.488 1.00 0.00 C ATOM 1797 O ASP A 113 111.804 6.026 14.601 1.00 0.00 O ATOM 1798 CB ASP A 113 111.730 8.520 13.336 1.00 0.00 C ATOM 1799 CG ASP A 113 113.040 8.502 12.549 1.00 0.00 C ATOM 1800 OD1 ASP A 113 113.541 7.420 12.293 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.519 9.573 12.215 1.00 0.00 O ATOM 0 H ASP A 113 108.895 8.252 12.659 1.00 0.00 H new ATOM 0 HA ASP A 113 110.868 7.280 11.787 1.00 0.00 H new ATOM 0 HB2 ASP A 113 111.221 9.473 13.191 1.00 0.00 H new ATOM 0 HB3 ASP A 113 111.935 8.426 14.403 1.00 0.00 H new ATOM 1806 N SER A 114 111.181 4.975 12.779 1.00 0.00 N ATOM 1807 CA SER A 114 111.623 3.671 13.337 1.00 0.00 C ATOM 1808 C SER A 114 113.052 3.783 13.866 1.00 0.00 C ATOM 1809 O SER A 114 113.429 3.094 14.793 1.00 0.00 O ATOM 1810 CB SER A 114 111.527 2.582 12.262 1.00 0.00 C ATOM 1811 OG SER A 114 110.549 1.627 12.653 1.00 0.00 O ATOM 0 H SER A 114 110.784 4.936 11.840 1.00 0.00 H new ATOM 0 HA SER A 114 110.970 3.398 14.166 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.259 3.024 11.302 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.494 2.097 12.130 1.00 0.00 H new ATOM 0 HG SER A 114 110.482 0.929 11.969 1.00 0.00 H new ATOM 1817 N GLN A 115 113.848 4.649 13.306 1.00 0.00 N ATOM 1818 CA GLN A 115 115.246 4.790 13.808 1.00 0.00 C ATOM 1819 C GLN A 115 115.780 6.181 13.481 1.00 0.00 C ATOM 1820 O GLN A 115 116.197 6.913 14.354 1.00 0.00 O ATOM 1821 CB GLN A 115 116.166 3.748 13.145 1.00 0.00 C ATOM 1822 CG GLN A 115 115.357 2.545 12.664 1.00 0.00 C ATOM 1823 CD GLN A 115 116.277 1.581 11.914 1.00 0.00 C ATOM 1824 OE1 GLN A 115 116.927 0.666 12.581 1.00 0.00 O flip ATOM 1825 NE2 GLN A 115 116.406 1.660 10.708 1.00 0.00 N flip ATOM 0 H GLN A 115 113.597 5.261 12.530 1.00 0.00 H new ATOM 0 HA GLN A 115 115.234 4.635 14.887 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.690 4.201 12.303 1.00 0.00 H new ATOM 0 HB3 GLN A 115 116.926 3.422 13.855 1.00 0.00 H new ATOM 0 HG2 GLN A 115 114.897 2.039 13.513 1.00 0.00 H new ATOM 0 HG3 GLN A 115 114.548 2.874 12.012 1.00 0.00 H new ATOM 0 HE21 GLN A 115 115.898 2.375 10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 115 117.022 1.012 10.217 1.00 0.00 H new ATOM 1834 N GLN A 116 115.791 6.533 12.222 1.00 0.00 N ATOM 1835 CA GLN A 116 116.332 7.872 11.810 1.00 0.00 C ATOM 1836 C GLN A 116 116.685 7.852 10.318 1.00 0.00 C ATOM 1837 O GLN A 116 117.782 8.201 9.931 1.00 0.00 O ATOM 1838 CB GLN A 116 117.619 8.166 12.588 1.00 0.00 C ATOM 1839 CG GLN A 116 118.516 6.919 12.564 1.00 0.00 C ATOM 1840 CD GLN A 116 119.979 7.335 12.737 1.00 0.00 C ATOM 1841 OE1 GLN A 116 120.376 7.777 13.796 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.803 7.209 11.733 1.00 0.00 N ATOM 0 H GLN A 116 115.449 5.953 11.456 1.00 0.00 H new ATOM 0 HA GLN A 116 115.576 8.631 12.013 1.00 0.00 H new ATOM 0 HB2 GLN A 116 118.141 9.014 12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 116 117.383 8.440 13.616 1.00 0.00 H new ATOM 0 HG2 GLN A 116 118.225 6.234 13.361 1.00 0.00 H new ATOM 0 HG3 GLN A 116 118.388 6.385 11.622 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.470 6.838 10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.780 7.482 11.838 1.00 0.00 H new ATOM 1851 N PHE A 117 115.785 7.433 9.481 1.00 0.00 N ATOM 1852 CA PHE A 117 116.097 7.378 8.022 1.00 0.00 C ATOM 1853 C PHE A 117 116.298 8.784 7.451 1.00 0.00 C ATOM 1854 O PHE A 117 117.383 9.123 7.030 1.00 0.00 O ATOM 1855 CB PHE A 117 114.953 6.688 7.290 1.00 0.00 C ATOM 1856 CG PHE A 117 114.556 5.464 8.074 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.743 5.593 9.205 1.00 0.00 C ATOM 1858 CD2 PHE A 117 115.018 4.204 7.683 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.387 4.461 9.942 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.663 3.071 8.421 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.848 3.198 9.550 1.00 0.00 C ATOM 0 H PHE A 117 114.847 7.126 9.738 1.00 0.00 H new ATOM 0 HA PHE A 117 117.022 6.817 7.884 1.00 0.00 H new ATOM 0 HB2 PHE A 117 114.105 7.365 7.188 1.00 0.00 H new ATOM 0 HB3 PHE A 117 115.261 6.409 6.282 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.391 6.568 9.508 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.649 4.106 6.812 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.757 4.560 10.813 1.00 0.00 H new ATOM 0 HE2 PHE A 117 115.019 2.097 8.119 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.574 2.322 10.120 1.00 0.00 H new ATOM 1871 N HIS A 118 115.255 9.585 7.405 1.00 0.00 N ATOM 1872 CA HIS A 118 115.368 10.972 6.827 1.00 0.00 C ATOM 1873 C HIS A 118 114.870 10.923 5.386 1.00 0.00 C ATOM 1874 O HIS A 118 115.160 11.785 4.581 1.00 0.00 O ATOM 1875 CB HIS A 118 116.821 11.473 6.850 1.00 0.00 C ATOM 1876 CG HIS A 118 116.836 12.971 6.713 1.00 0.00 C ATOM 1877 ND1 HIS A 118 115.968 13.789 7.424 1.00 0.00 N ATOM 1878 CD2 HIS A 118 117.607 13.816 5.952 1.00 0.00 C ATOM 1879 CE1 HIS A 118 116.235 15.062 7.079 1.00 0.00 C ATOM 1880 NE2 HIS A 118 117.224 15.131 6.187 1.00 0.00 N ATOM 0 H HIS A 118 114.325 9.338 7.744 1.00 0.00 H new ATOM 0 HA HIS A 118 114.771 11.660 7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.304 11.177 7.781 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.387 11.017 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 118 118.390 13.506 5.276 1.00 0.00 H new ATOM 0 HE1 HIS A 118 115.713 15.921 7.475 1.00 0.00 H new ATOM 0 HE2 HIS A 118 117.617 15.973 5.766 1.00 0.00 H new ATOM 1889 N LEU A 119 114.123 9.900 5.073 1.00 0.00 N ATOM 1890 CA LEU A 119 113.580 9.720 3.687 1.00 0.00 C ATOM 1891 C LEU A 119 112.826 8.389 3.647 1.00 0.00 C ATOM 1892 O LEU A 119 112.793 7.693 2.656 1.00 0.00 O ATOM 1893 CB LEU A 119 114.747 9.727 2.669 1.00 0.00 C ATOM 1894 CG LEU A 119 115.474 8.352 2.538 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.292 7.456 3.777 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.980 7.600 1.290 1.00 0.00 C ATOM 0 H LEU A 119 113.859 9.165 5.729 1.00 0.00 H new ATOM 0 HA LEU A 119 112.901 10.532 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 119 114.363 10.019 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.472 10.484 2.966 1.00 0.00 H new ATOM 0 HG LEU A 119 116.537 8.575 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.820 6.515 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.696 7.962 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.231 7.257 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.497 6.643 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.907 7.427 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 119 115.186 8.196 0.401 1.00 0.00 H new ATOM 1908 N VAL A 120 112.252 8.039 4.757 1.00 0.00 N ATOM 1909 CA VAL A 120 111.517 6.751 4.896 1.00 0.00 C ATOM 1910 C VAL A 120 110.734 6.401 3.617 1.00 0.00 C ATOM 1911 O VAL A 120 110.376 7.270 2.851 1.00 0.00 O ATOM 1912 CB VAL A 120 110.571 6.901 6.090 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.397 7.285 7.322 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.535 8.007 5.811 1.00 0.00 C ATOM 0 H VAL A 120 112.260 8.609 5.603 1.00 0.00 H new ATOM 0 HA VAL A 120 112.220 5.934 5.056 1.00 0.00 H new ATOM 0 HB VAL A 120 110.047 5.960 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.737 7.396 8.182 1.00 0.00 H new ATOM 0 HG12 VAL A 120 112.131 6.505 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.912 8.228 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.868 8.105 6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 120 110.049 8.953 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.954 7.747 4.926 1.00 0.00 H new ATOM 1924 N PRO A 121 110.454 5.127 3.399 1.00 0.00 N ATOM 1925 CA PRO A 121 109.683 4.660 2.213 1.00 0.00 C ATOM 1926 C PRO A 121 108.199 4.889 2.471 1.00 0.00 C ATOM 1927 O PRO A 121 107.571 4.179 3.232 1.00 0.00 O ATOM 1928 CB PRO A 121 110.021 3.173 2.133 1.00 0.00 C ATOM 1929 CG PRO A 121 110.259 2.764 3.546 1.00 0.00 C ATOM 1930 CD PRO A 121 110.828 3.993 4.264 1.00 0.00 C ATOM 0 HA PRO A 121 109.922 5.179 1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.204 2.604 1.688 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.903 3.000 1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.332 2.434 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.957 1.928 3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.407 4.100 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.909 3.921 4.380 1.00 0.00 H new ATOM 1938 N VAL A 122 107.666 5.936 1.922 1.00 0.00 N ATOM 1939 CA VAL A 122 106.254 6.299 2.213 1.00 0.00 C ATOM 1940 C VAL A 122 105.256 5.870 1.124 1.00 0.00 C ATOM 1941 O VAL A 122 104.499 4.945 1.315 1.00 0.00 O ATOM 1942 CB VAL A 122 106.204 7.827 2.436 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.445 8.474 1.828 1.00 0.00 C ATOM 1944 CG2 VAL A 122 104.973 8.447 1.783 1.00 0.00 C ATOM 0 H VAL A 122 108.149 6.563 1.279 1.00 0.00 H new ATOM 0 HA VAL A 122 105.939 5.753 3.103 1.00 0.00 H new ATOM 0 HB VAL A 122 106.161 8.002 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.408 9.552 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.337 8.068 2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.477 8.265 0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 122 104.970 9.523 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 122 104.995 8.256 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 122 104.073 8.006 2.212 1.00 0.00 H new ATOM 1954 N HIS A 123 105.171 6.586 0.038 1.00 0.00 N ATOM 1955 CA HIS A 123 104.118 6.264 -0.980 1.00 0.00 C ATOM 1956 C HIS A 123 104.636 5.460 -2.165 1.00 0.00 C ATOM 1957 O HIS A 123 105.386 5.950 -2.979 1.00 0.00 O ATOM 1958 CB HIS A 123 103.547 7.580 -1.511 1.00 0.00 C ATOM 1959 CG HIS A 123 102.230 7.324 -2.192 1.00 0.00 C ATOM 1960 ND1 HIS A 123 101.015 7.597 -1.578 1.00 0.00 N ATOM 1961 CD2 HIS A 123 101.920 6.825 -3.433 1.00 0.00 C ATOM 1962 CE1 HIS A 123 100.039 7.262 -2.444 1.00 0.00 C ATOM 1963 NE2 HIS A 123 100.539 6.788 -3.586 1.00 0.00 N ATOM 0 H HIS A 123 105.776 7.374 -0.193 1.00 0.00 H new ATOM 0 HA HIS A 123 103.368 5.651 -0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.412 8.286 -0.691 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.247 8.035 -2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 123 102.638 6.510 -4.176 1.00 0.00 H new ATOM 0 HE1 HIS A 123 98.984 7.364 -2.239 1.00 0.00 H new ATOM 0 HE2 HIS A 123 100.017 6.466 -4.401 1.00 0.00 H new ATOM 1972 N LEU A 124 104.175 4.250 -2.317 1.00 0.00 N ATOM 1973 CA LEU A 124 104.590 3.461 -3.501 1.00 0.00 C ATOM 1974 C LEU A 124 104.009 4.161 -4.731 1.00 0.00 C ATOM 1975 O LEU A 124 102.807 4.269 -4.876 1.00 0.00 O ATOM 1976 CB LEU A 124 104.042 2.036 -3.402 1.00 0.00 C ATOM 1977 CG LEU A 124 104.256 1.312 -4.752 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.708 -0.141 -4.521 1.00 0.00 C ATOM 1979 CD2 LEU A 124 102.953 1.326 -5.571 1.00 0.00 C ATOM 0 H LEU A 124 103.535 3.780 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 124 105.676 3.399 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 124 104.547 1.495 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.981 2.058 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 124 105.035 1.838 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 124 104.853 -0.634 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.645 -0.146 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 124 103.946 -0.673 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.114 0.814 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.167 0.817 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.654 2.357 -5.761 1.00 0.00 H new ATOM 1991 N ASP A 125 104.835 4.667 -5.603 1.00 0.00 N ATOM 1992 CA ASP A 125 104.296 5.385 -6.791 1.00 0.00 C ATOM 1993 C ASP A 125 103.701 4.382 -7.783 1.00 0.00 C ATOM 1994 O ASP A 125 102.617 4.579 -8.296 1.00 0.00 O ATOM 1995 CB ASP A 125 105.426 6.185 -7.458 1.00 0.00 C ATOM 1996 CG ASP A 125 105.119 7.684 -7.374 1.00 0.00 C ATOM 1997 OD1 ASP A 125 105.034 8.190 -6.268 1.00 0.00 O ATOM 1998 OD2 ASP A 125 104.974 8.297 -8.419 1.00 0.00 O ATOM 0 H ASP A 125 105.852 4.615 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 125 103.509 6.070 -6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.375 5.971 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP A 125 105.531 5.884 -8.500 1.00 0.00 H new ATOM 2003 N ARG A 126 104.393 3.314 -8.061 1.00 0.00 N ATOM 2004 CA ARG A 126 103.851 2.316 -9.026 1.00 0.00 C ATOM 2005 C ARG A 126 104.758 1.094 -9.076 1.00 0.00 C ATOM 2006 O ARG A 126 105.747 1.016 -8.385 1.00 0.00 O ATOM 2007 CB ARG A 126 103.767 2.931 -10.420 1.00 0.00 C ATOM 2008 CG ARG A 126 105.138 3.450 -10.854 1.00 0.00 C ATOM 2009 CD ARG A 126 104.966 4.503 -11.951 1.00 0.00 C ATOM 2010 NE ARG A 126 106.298 4.850 -12.521 1.00 0.00 N ATOM 2011 CZ ARG A 126 106.904 4.014 -13.319 1.00 0.00 C ATOM 2012 NH1 ARG A 126 106.344 2.874 -13.618 1.00 0.00 N ATOM 2013 NH2 ARG A 126 108.071 4.317 -13.818 1.00 0.00 N ATOM 0 H ARG A 126 105.306 3.089 -7.665 1.00 0.00 H new ATOM 0 HA ARG A 126 102.855 2.019 -8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 126 103.410 2.187 -11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.044 3.747 -10.422 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.661 3.882 -10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 126 105.751 2.626 -11.220 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.311 4.123 -12.735 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.490 5.395 -11.543 1.00 0.00 H new ATOM 0 HE ARG A 126 106.736 5.741 -12.288 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.432 2.636 -13.228 1.00 0.00 H new ATOM 0 HH12 ARG A 126 106.818 2.221 -14.242 1.00 0.00 H new ATOM 0 HH21 ARG A 126 108.510 5.208 -13.584 1.00 0.00 H new ATOM 0 HH22 ARG A 126 108.544 3.663 -14.442 1.00 0.00 H new ATOM 2027 N VAL A 127 104.418 0.134 -9.889 1.00 0.00 N ATOM 2028 CA VAL A 127 105.254 -1.094 -9.994 1.00 0.00 C ATOM 2029 C VAL A 127 105.818 -1.192 -11.416 1.00 0.00 C ATOM 2030 O VAL A 127 105.145 -0.883 -12.380 1.00 0.00 O ATOM 2031 CB VAL A 127 104.388 -2.317 -9.675 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.204 -3.320 -8.860 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.180 -1.871 -8.849 1.00 0.00 C ATOM 0 H VAL A 127 103.593 0.147 -10.488 1.00 0.00 H new ATOM 0 HA VAL A 127 106.082 -1.053 -9.286 1.00 0.00 H new ATOM 0 HB VAL A 127 104.056 -2.782 -10.603 1.00 0.00 H new ATOM 0 HG11 VAL A 127 104.589 -4.190 -8.633 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.076 -3.632 -9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.530 -2.854 -7.930 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.558 -2.736 -8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.523 -1.412 -7.922 1.00 0.00 H new ATOM 0 HG23 VAL A 127 102.597 -1.147 -9.418 1.00 0.00 H new ATOM 2043 N LEU A 128 107.052 -1.606 -11.555 1.00 0.00 N ATOM 2044 CA LEU A 128 107.666 -1.710 -12.914 1.00 0.00 C ATOM 2045 C LEU A 128 108.324 -3.083 -13.069 1.00 0.00 C ATOM 2046 O LEU A 128 107.761 -3.913 -13.763 1.00 0.00 O ATOM 2047 CB LEU A 128 108.726 -0.604 -13.080 1.00 0.00 C ATOM 2048 CG LEU A 128 108.488 0.167 -14.383 1.00 0.00 C ATOM 2049 CD1 LEU A 128 109.383 1.407 -14.412 1.00 0.00 C ATOM 2050 CD2 LEU A 128 108.828 -0.731 -15.574 1.00 0.00 C ATOM 2051 OXT LEU A 128 109.380 -3.279 -12.491 1.00 0.00 O ATOM 0 H LEU A 128 107.662 -1.877 -10.784 1.00 0.00 H new ATOM 0 HA LEU A 128 106.896 -1.590 -13.676 1.00 0.00 H new ATOM 0 HB2 LEU A 128 108.685 0.079 -12.232 1.00 0.00 H new ATOM 0 HB3 LEU A 128 109.723 -1.044 -13.086 1.00 0.00 H new ATOM 0 HG LEU A 128 107.443 0.470 -14.440 1.00 0.00 H new ATOM 0 HD11 LEU A 128 109.214 1.956 -15.338 1.00 0.00 H new ATOM 0 HD12 LEU A 128 109.145 2.047 -13.562 1.00 0.00 H new ATOM 0 HD13 LEU A 128 110.428 1.103 -14.356 1.00 0.00 H new ATOM 0 HD21 LEU A 128 108.659 -0.184 -16.502 1.00 0.00 H new ATOM 0 HD22 LEU A 128 109.874 -1.032 -15.515 1.00 0.00 H new ATOM 0 HD23 LEU A 128 108.193 -1.617 -15.554 1.00 0.00 H new