USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 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 85 SER OG : rot -86:sc= -1.1 USER MOD Set 1.2: A 88 ASN : amide:sc= -1.11 K(o=-2.2,f=-4.9!) USER MOD Set 2.1: A 48 HIS : no HD1:sc= -0.0654 K(o=1.1,f=-0.14) USER MOD Set 2.2: A 52 TYR OH : rot -2:sc= 1.16 USER MOD Set 3.1: A 24 ASN : amide:sc= -0.827 K(o=-3.7,f=-5.9!) USER MOD Set 3.2: A 117 ASN : amide:sc= -2.85! C(o=-3.7!,f=-12!) USER MOD Single : A 4 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.0098) USER MOD Single : A 6 ASN : amide:sc= -0.818 K(o=-0.82,f=-6.3!) USER MOD Single : A 8 MET CE :methyl 168:sc= -3.37 (180deg=-3.85!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0.523 (180deg=0.504) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00993 X(o=-0.0099,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 85:sc= 0.673 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0.453 K(o=0.45,f=-4.8!) USER MOD Single : A 47 THR OG1 : rot 94:sc= 1.17 USER MOD Single : A 50 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.8!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.137 K(o=-0.14,f=-3.5!) USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 0.0838 (180deg=-0.304) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 100:sc= -1.42 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 71 ASN : amide:sc= -0.621 K(o=-0.62,f=-2.1) USER MOD Single : A 72 ASN : amide:sc= -2.32! C(o=-2.3!,f=-3.7!) USER MOD Single : A 73 TYR OH : rot 156:sc= 0.34 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0959 K(o=-0.096,f=-2.5!) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.533 F(o=-2.3!,f=-0.53) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 97 ASN : amide:sc= -0.0277 K(o=-0.028,f=-1.9!) USER MOD Single : A 101 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.6!) USER MOD Single : A 107 SER OG : rot -36:sc= 1.21 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 124:sc= 0.306 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.42) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= -2.12! C(o=-2.1!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 84.156 -4.713 -4.609 1.00 0.00 N ATOM 14 CA LEU A 2 84.875 -3.817 -3.660 1.00 0.00 C ATOM 15 C LEU A 2 84.377 -4.055 -2.232 1.00 0.00 C ATOM 16 O LEU A 2 84.817 -3.418 -1.296 1.00 0.00 O ATOM 17 CB LEU A 2 84.535 -2.398 -4.119 1.00 0.00 C ATOM 18 CG LEU A 2 85.750 -1.783 -4.817 1.00 0.00 C ATOM 19 CD1 LEU A 2 85.372 -1.394 -6.247 1.00 0.00 C ATOM 20 CD2 LEU A 2 86.201 -0.537 -4.052 1.00 0.00 C ATOM 0 HA LEU A 2 85.950 -3.995 -3.656 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.683 -2.418 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 2 84.246 -1.787 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 2 86.563 -2.509 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 2 86.237 -0.956 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 2 85.050 -2.281 -6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 2 84.560 -0.668 -6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 2 87.066 -0.098 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 2 85.389 0.190 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 2 86.469 -0.813 -3.032 1.00 0.00 H new ATOM 32 N TRP A 3 83.462 -4.971 -2.059 1.00 0.00 N ATOM 33 CA TRP A 3 82.938 -5.249 -0.692 1.00 0.00 C ATOM 34 C TRP A 3 84.007 -5.952 0.148 1.00 0.00 C ATOM 35 O TRP A 3 84.027 -5.849 1.358 1.00 0.00 O ATOM 36 CB TRP A 3 81.732 -6.166 -0.907 1.00 0.00 C ATOM 37 CG TRP A 3 82.197 -7.507 -1.378 1.00 0.00 C ATOM 38 CD1 TRP A 3 82.488 -7.822 -2.661 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.424 -8.716 -0.598 1.00 0.00 C ATOM 40 NE1 TRP A 3 82.882 -9.146 -2.718 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.860 -9.740 -1.473 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.300 -9.021 0.769 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.157 -11.020 -1.009 1.00 0.00 C ATOM 44 CZ3 TRP A 3 82.600 -10.310 1.240 1.00 0.00 C ATOM 45 CH2 TRP A 3 83.028 -11.307 0.352 1.00 0.00 C ATOM 0 H TRP A 3 83.056 -5.537 -2.804 1.00 0.00 H new ATOM 0 HA TRP A 3 82.664 -4.338 -0.160 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.172 -6.270 0.022 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.055 -5.727 -1.640 1.00 0.00 H new ATOM 0 HD1 TRP A 3 82.423 -7.149 -3.503 1.00 0.00 H new ATOM 0 HE1 TRP A 3 83.156 -9.625 -3.576 1.00 0.00 H new ATOM 0 HE3 TRP A 3 81.972 -8.260 1.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.485 -11.785 -1.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 82.500 -10.534 2.292 1.00 0.00 H new ATOM 0 HH2 TRP A 3 83.258 -12.296 0.720 1.00 0.00 H new ATOM 56 N GLN A 4 84.901 -6.662 -0.485 1.00 0.00 N ATOM 57 CA GLN A 4 85.968 -7.365 0.280 1.00 0.00 C ATOM 58 C GLN A 4 86.866 -6.343 0.980 1.00 0.00 C ATOM 59 O GLN A 4 87.215 -6.494 2.134 1.00 0.00 O ATOM 60 CB GLN A 4 86.761 -8.148 -0.767 1.00 0.00 C ATOM 61 CG GLN A 4 86.008 -9.432 -1.120 1.00 0.00 C ATOM 62 CD GLN A 4 86.945 -10.632 -0.970 1.00 0.00 C ATOM 63 OE1 GLN A 4 86.560 -11.657 -0.445 1.00 0.00 O ATOM 64 NE2 GLN A 4 88.169 -10.548 -1.414 1.00 0.00 N ATOM 0 H GLN A 4 84.938 -6.785 -1.497 1.00 0.00 H new ATOM 0 HA GLN A 4 85.563 -8.019 1.052 1.00 0.00 H new ATOM 0 HB2 GLN A 4 86.904 -7.540 -1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.752 -8.389 -0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.143 -9.549 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 4 85.632 -9.376 -2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 4 88.494 -9.688 -1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 4 88.801 -11.343 -1.320 1.00 0.00 H new ATOM 73 N PHE A 5 87.238 -5.300 0.290 1.00 0.00 N ATOM 74 CA PHE A 5 88.108 -4.266 0.917 1.00 0.00 C ATOM 75 C PHE A 5 87.421 -3.682 2.154 1.00 0.00 C ATOM 76 O PHE A 5 87.930 -3.766 3.254 1.00 0.00 O ATOM 77 CB PHE A 5 88.291 -3.193 -0.158 1.00 0.00 C ATOM 78 CG PHE A 5 89.134 -2.069 0.392 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.125 -2.338 1.345 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.926 -0.756 -0.049 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.907 -1.294 1.855 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.707 0.287 0.462 1.00 0.00 C ATOM 83 CZ PHE A 5 90.698 0.018 1.414 1.00 0.00 C ATOM 0 H PHE A 5 86.977 -5.119 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 5 89.064 -4.673 1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 5 88.769 -3.623 -1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.320 -2.812 -0.476 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.286 -3.350 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 5 88.162 -0.548 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.672 -1.501 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.545 1.299 0.122 1.00 0.00 H new ATOM 0 HZ PHE A 5 91.301 0.823 1.808 1.00 0.00 H new ATOM 93 N ASN A 6 86.267 -3.092 1.987 1.00 0.00 N ATOM 94 CA ASN A 6 85.553 -2.510 3.159 1.00 0.00 C ATOM 95 C ASN A 6 85.561 -3.505 4.321 1.00 0.00 C ATOM 96 O ASN A 6 85.771 -3.142 5.461 1.00 0.00 O ATOM 97 CB ASN A 6 84.123 -2.261 2.678 1.00 0.00 C ATOM 98 CG ASN A 6 83.821 -0.763 2.735 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.720 0.045 2.854 1.00 0.00 O ATOM 100 ND2 ASN A 6 82.584 -0.354 2.653 1.00 0.00 N ATOM 0 H ASN A 6 85.790 -2.988 1.092 1.00 0.00 H new ATOM 0 HA ASN A 6 86.024 -1.594 3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 6 84.001 -2.629 1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.417 -2.809 3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.373 0.643 2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 6 81.828 -1.032 2.553 1.00 0.00 H new ATOM 107 N GLY A 7 85.338 -4.759 4.039 1.00 0.00 N ATOM 108 CA GLY A 7 85.337 -5.778 5.126 1.00 0.00 C ATOM 109 C GLY A 7 86.641 -5.674 5.914 1.00 0.00 C ATOM 110 O GLY A 7 86.650 -5.736 7.128 1.00 0.00 O ATOM 0 H GLY A 7 85.156 -5.122 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.485 -5.621 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.232 -6.777 4.704 1.00 0.00 H new ATOM 114 N MET A 8 87.743 -5.510 5.235 1.00 0.00 N ATOM 115 CA MET A 8 89.046 -5.395 5.950 1.00 0.00 C ATOM 116 C MET A 8 89.081 -4.094 6.753 1.00 0.00 C ATOM 117 O MET A 8 89.534 -4.059 7.880 1.00 0.00 O ATOM 118 CB MET A 8 90.104 -5.377 4.846 1.00 0.00 C ATOM 119 CG MET A 8 90.522 -6.811 4.520 1.00 0.00 C ATOM 120 SD MET A 8 92.249 -6.830 3.980 1.00 0.00 S ATOM 121 CE MET A 8 92.398 -8.619 3.752 1.00 0.00 C ATOM 0 H MET A 8 87.798 -5.451 4.218 1.00 0.00 H new ATOM 0 HA MET A 8 89.212 -6.211 6.653 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.707 -4.891 3.955 1.00 0.00 H new ATOM 0 HB3 MET A 8 90.970 -4.798 5.166 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.398 -7.445 5.398 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.881 -7.219 3.738 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.321 -8.842 3.217 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.415 -9.110 4.725 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.548 -8.984 3.176 1.00 0.00 H new ATOM 131 N ILE A 9 88.593 -3.024 6.185 1.00 0.00 N ATOM 132 CA ILE A 9 88.586 -1.728 6.921 1.00 0.00 C ATOM 133 C ILE A 9 87.707 -1.855 8.165 1.00 0.00 C ATOM 134 O ILE A 9 87.964 -1.252 9.188 1.00 0.00 O ATOM 135 CB ILE A 9 87.987 -0.715 5.944 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.826 -0.681 4.664 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.986 0.673 6.586 1.00 0.00 C ATOM 138 CD1 ILE A 9 88.128 0.192 3.619 1.00 0.00 C ATOM 0 H ILE A 9 88.200 -2.992 5.244 1.00 0.00 H new ATOM 0 HA ILE A 9 89.581 -1.428 7.251 1.00 0.00 H new ATOM 0 HB ILE A 9 86.965 -1.006 5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.819 -0.286 4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.961 -1.691 4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.559 1.395 5.890 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.390 0.652 7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 9 89.009 0.963 6.828 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.725 0.216 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 9 87.144 -0.222 3.397 1.00 0.00 H new ATOM 0 HD13 ILE A 9 88.016 1.205 4.007 1.00 0.00 H new ATOM 150 N LYS A 10 86.671 -2.644 8.081 1.00 0.00 N ATOM 151 CA LYS A 10 85.769 -2.823 9.253 1.00 0.00 C ATOM 152 C LYS A 10 86.452 -3.685 10.317 1.00 0.00 C ATOM 153 O LYS A 10 86.126 -3.619 11.486 1.00 0.00 O ATOM 154 CB LYS A 10 84.538 -3.540 8.697 1.00 0.00 C ATOM 155 CG LYS A 10 83.528 -2.510 8.185 1.00 0.00 C ATOM 156 CD LYS A 10 82.151 -3.166 8.051 1.00 0.00 C ATOM 157 CE LYS A 10 82.062 -3.905 6.714 1.00 0.00 C ATOM 158 NZ LYS A 10 80.617 -4.227 6.550 1.00 0.00 N ATOM 0 H LYS A 10 86.410 -3.173 7.249 1.00 0.00 H new ATOM 0 HA LYS A 10 85.512 -1.875 9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 10 84.830 -4.210 7.889 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.083 -4.156 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.475 -1.665 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.851 -2.117 7.221 1.00 0.00 H new ATOM 0 HD2 LYS A 10 81.987 -3.862 8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 10 81.369 -2.409 8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 10 82.424 -3.284 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 10 82.670 -4.810 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 80.474 -4.736 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 80.302 -4.824 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 80.064 -3.346 6.540 1.00 0.00 H new ATOM 172 N CYS A 11 87.395 -4.496 9.922 1.00 0.00 N ATOM 173 CA CYS A 11 88.093 -5.362 10.904 1.00 0.00 C ATOM 174 C CYS A 11 88.984 -4.517 11.811 1.00 0.00 C ATOM 175 O CYS A 11 88.863 -4.540 13.021 1.00 0.00 O ATOM 176 CB CYS A 11 88.944 -6.309 10.060 1.00 0.00 C ATOM 177 SG CYS A 11 89.967 -7.332 11.148 1.00 0.00 S ATOM 0 H CYS A 11 87.711 -4.594 8.957 1.00 0.00 H new ATOM 0 HA CYS A 11 87.397 -5.899 11.548 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.303 -6.941 9.445 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.576 -5.738 9.379 1.00 0.00 H new ATOM 182 N LYS A 12 89.882 -3.774 11.230 1.00 0.00 N ATOM 183 CA LYS A 12 90.792 -2.923 12.050 1.00 0.00 C ATOM 184 C LYS A 12 89.988 -1.881 12.833 1.00 0.00 C ATOM 185 O LYS A 12 90.328 -1.530 13.946 1.00 0.00 O ATOM 186 CB LYS A 12 91.716 -2.241 11.041 1.00 0.00 C ATOM 187 CG LYS A 12 92.645 -3.284 10.413 1.00 0.00 C ATOM 188 CD LYS A 12 93.468 -3.962 11.509 1.00 0.00 C ATOM 189 CE LYS A 12 94.140 -2.895 12.377 1.00 0.00 C ATOM 190 NZ LYS A 12 95.388 -3.534 12.882 1.00 0.00 N ATOM 0 H LYS A 12 90.027 -3.718 10.222 1.00 0.00 H new ATOM 0 HA LYS A 12 91.349 -3.507 12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 12 91.127 -1.750 10.266 1.00 0.00 H new ATOM 0 HB3 LYS A 12 92.303 -1.466 11.535 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.060 -4.027 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 12 93.306 -2.808 9.689 1.00 0.00 H new ATOM 0 HD2 LYS A 12 92.826 -4.594 12.123 1.00 0.00 H new ATOM 0 HD3 LYS A 12 94.222 -4.611 11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 12 94.363 -1.999 11.798 1.00 0.00 H new ATOM 0 HE3 LYS A 12 93.492 -2.591 13.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.952 -2.831 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 95.143 -4.320 13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 95.941 -3.898 12.080 1.00 0.00 H new ATOM 204 N ILE A 13 88.924 -1.381 12.262 1.00 0.00 N ATOM 205 CA ILE A 13 88.103 -0.360 12.977 1.00 0.00 C ATOM 206 C ILE A 13 86.631 -0.780 12.986 1.00 0.00 C ATOM 207 O ILE A 13 85.874 -0.411 12.110 1.00 0.00 O ATOM 208 CB ILE A 13 88.286 0.930 12.176 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.779 1.215 11.999 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.633 2.092 12.927 1.00 0.00 C ATOM 211 CD1 ILE A 13 90.010 1.895 10.648 1.00 0.00 C ATOM 0 H ILE A 13 88.588 -1.635 11.333 1.00 0.00 H new ATOM 0 HA ILE A 13 88.407 -0.240 14.017 1.00 0.00 H new ATOM 0 HB ILE A 13 87.819 0.819 11.198 1.00 0.00 H new ATOM 0 HG12 ILE A 13 90.137 1.854 12.806 1.00 0.00 H new ATOM 0 HG13 ILE A 13 90.347 0.286 12.053 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.763 3.012 12.357 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.569 1.891 13.054 1.00 0.00 H new ATOM 0 HG23 ILE A 13 88.101 2.202 13.905 1.00 0.00 H new ATOM 0 HD11 ILE A 13 91.073 2.099 10.520 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.667 1.239 9.847 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.454 2.832 10.613 1.00 0.00 H new ATOM 223 N PRO A 14 86.276 -1.543 13.983 1.00 0.00 N ATOM 224 CA PRO A 14 84.882 -2.027 14.115 1.00 0.00 C ATOM 225 C PRO A 14 83.977 -0.921 14.667 1.00 0.00 C ATOM 226 O PRO A 14 82.830 -0.795 14.287 1.00 0.00 O ATOM 227 CB PRO A 14 84.996 -3.175 15.112 1.00 0.00 C ATOM 228 CG PRO A 14 86.225 -2.880 15.917 1.00 0.00 C ATOM 229 CD PRO A 14 87.136 -2.026 15.068 1.00 0.00 C ATOM 0 HA PRO A 14 84.445 -2.331 13.164 1.00 0.00 H new ATOM 0 HB2 PRO A 14 84.113 -3.232 15.749 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.082 -4.133 14.600 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.963 -2.360 16.839 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.725 -3.805 16.204 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.554 -1.199 15.642 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.976 -2.603 14.682 1.00 0.00 H new ATOM 237 N SER A 15 84.482 -0.121 15.568 1.00 0.00 N ATOM 238 CA SER A 15 83.649 0.970 16.150 1.00 0.00 C ATOM 239 C SER A 15 83.232 1.965 15.063 1.00 0.00 C ATOM 240 O SER A 15 82.198 2.596 15.154 1.00 0.00 O ATOM 241 CB SER A 15 84.549 1.650 17.179 1.00 0.00 C ATOM 242 OG SER A 15 85.304 2.673 16.541 1.00 0.00 O ATOM 0 H SER A 15 85.436 -0.176 15.926 1.00 0.00 H new ATOM 0 HA SER A 15 82.731 0.589 16.597 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.946 2.074 17.982 1.00 0.00 H new ATOM 0 HB3 SER A 15 85.217 0.919 17.634 1.00 0.00 H new ATOM 0 HG SER A 15 85.881 3.112 17.200 1.00 0.00 H new ATOM 248 N SER A 16 84.025 2.112 14.038 1.00 0.00 N ATOM 249 CA SER A 16 83.667 3.072 12.955 1.00 0.00 C ATOM 250 C SER A 16 83.390 2.324 11.648 1.00 0.00 C ATOM 251 O SER A 16 84.232 1.610 11.139 1.00 0.00 O ATOM 252 CB SER A 16 84.891 3.975 12.805 1.00 0.00 C ATOM 253 OG SER A 16 84.496 5.332 12.961 1.00 0.00 O ATOM 0 H SER A 16 84.903 1.611 13.903 1.00 0.00 H new ATOM 0 HA SER A 16 82.767 3.639 13.191 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.642 3.715 13.551 1.00 0.00 H new ATOM 0 HB3 SER A 16 85.348 3.828 11.827 1.00 0.00 H new ATOM 0 HG SER A 16 85.279 5.914 12.867 1.00 0.00 H new ATOM 259 N GLU A 17 82.215 2.483 11.099 1.00 0.00 N ATOM 260 CA GLU A 17 81.887 1.784 9.823 1.00 0.00 C ATOM 261 C GLU A 17 82.361 2.618 8.629 1.00 0.00 C ATOM 262 O GLU A 17 82.395 3.831 8.692 1.00 0.00 O ATOM 263 CB GLU A 17 80.362 1.656 9.822 1.00 0.00 C ATOM 264 CG GLU A 17 79.952 0.429 10.640 1.00 0.00 C ATOM 265 CD GLU A 17 79.344 0.880 11.970 1.00 0.00 C ATOM 266 OE1 GLU A 17 80.055 1.501 12.743 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.178 0.597 12.193 1.00 0.00 O ATOM 0 H GLU A 17 81.469 3.066 11.479 1.00 0.00 H new ATOM 0 HA GLU A 17 82.375 0.813 9.744 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.911 2.554 10.243 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.995 1.564 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 17 79.230 -0.168 10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 17 80.819 -0.206 10.821 1.00 0.00 H new ATOM 274 N PRO A 18 82.720 1.932 7.577 1.00 0.00 N ATOM 275 CA PRO A 18 83.207 2.612 6.350 1.00 0.00 C ATOM 276 C PRO A 18 82.050 3.283 5.603 1.00 0.00 C ATOM 277 O PRO A 18 82.075 4.469 5.339 1.00 0.00 O ATOM 278 CB PRO A 18 83.793 1.473 5.521 1.00 0.00 C ATOM 279 CG PRO A 18 83.078 0.246 5.990 1.00 0.00 C ATOM 280 CD PRO A 18 82.707 0.472 7.433 1.00 0.00 C ATOM 0 HA PRO A 18 83.928 3.402 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 18 83.635 1.639 4.455 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.869 1.386 5.674 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.188 0.065 5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.715 -0.633 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.726 0.057 7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 18 83.420 -0.002 8.108 1.00 0.00 H new ATOM 288 N LEU A 19 81.040 2.533 5.254 1.00 0.00 N ATOM 289 CA LEU A 19 79.888 3.128 4.517 1.00 0.00 C ATOM 290 C LEU A 19 79.278 4.274 5.326 1.00 0.00 C ATOM 291 O LEU A 19 78.579 5.117 4.799 1.00 0.00 O ATOM 292 CB LEU A 19 78.882 1.986 4.364 1.00 0.00 C ATOM 293 CG LEU A 19 79.448 0.935 3.408 1.00 0.00 C ATOM 294 CD1 LEU A 19 78.946 -0.452 3.817 1.00 0.00 C ATOM 295 CD2 LEU A 19 78.984 1.245 1.983 1.00 0.00 C ATOM 0 H LEU A 19 80.963 1.534 5.447 1.00 0.00 H new ATOM 0 HA LEU A 19 80.185 3.542 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.675 1.536 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 19 77.936 2.369 3.982 1.00 0.00 H new ATOM 0 HG LEU A 19 80.537 0.953 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 19 79.350 -1.201 3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 19 79.273 -0.672 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.857 -0.472 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 19 79.386 0.498 1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.895 1.226 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 19 79.340 2.233 1.691 1.00 0.00 H new ATOM 307 N LEU A 20 79.536 4.310 6.603 1.00 0.00 N ATOM 308 CA LEU A 20 78.969 5.401 7.446 1.00 0.00 C ATOM 309 C LEU A 20 80.077 6.363 7.887 1.00 0.00 C ATOM 310 O LEU A 20 79.882 7.188 8.757 1.00 0.00 O ATOM 311 CB LEU A 20 78.363 4.692 8.658 1.00 0.00 C ATOM 312 CG LEU A 20 77.403 3.598 8.187 1.00 0.00 C ATOM 313 CD1 LEU A 20 76.914 2.794 9.392 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.206 4.241 7.485 1.00 0.00 C ATOM 0 H LEU A 20 80.114 3.632 7.100 1.00 0.00 H new ATOM 0 HA LEU A 20 78.230 5.994 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.153 4.257 9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.833 5.410 9.284 1.00 0.00 H new ATOM 0 HG LEU A 20 77.920 2.934 7.494 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.230 2.015 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 20 77.766 2.337 9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.396 3.457 10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 20 75.521 3.463 7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.690 4.904 8.180 1.00 0.00 H new ATOM 0 HD23 LEU A 20 76.553 4.815 6.626 1.00 0.00 H new ATOM 326 N ASP A 21 81.238 6.263 7.300 1.00 0.00 N ATOM 327 CA ASP A 21 82.350 7.175 7.696 1.00 0.00 C ATOM 328 C ASP A 21 83.304 7.404 6.521 1.00 0.00 C ATOM 329 O ASP A 21 83.455 8.509 6.038 1.00 0.00 O ATOM 330 CB ASP A 21 83.067 6.451 8.835 1.00 0.00 C ATOM 331 CG ASP A 21 83.872 7.459 9.655 1.00 0.00 C ATOM 332 OD1 ASP A 21 83.345 8.526 9.927 1.00 0.00 O ATOM 333 OD2 ASP A 21 85.000 7.149 9.997 1.00 0.00 O ATOM 0 H ASP A 21 81.465 5.592 6.566 1.00 0.00 H new ATOM 0 HA ASP A 21 81.986 8.157 7.998 1.00 0.00 H new ATOM 0 HB2 ASP A 21 82.341 5.945 9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 21 83.728 5.683 8.433 1.00 0.00 H new ATOM 338 N PHE A 22 83.953 6.371 6.060 1.00 0.00 N ATOM 339 CA PHE A 22 84.901 6.534 4.920 1.00 0.00 C ATOM 340 C PHE A 22 84.147 6.498 3.585 1.00 0.00 C ATOM 341 O PHE A 22 84.518 5.790 2.671 1.00 0.00 O ATOM 342 CB PHE A 22 85.859 5.348 5.027 1.00 0.00 C ATOM 343 CG PHE A 22 86.533 5.366 6.378 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.126 6.543 6.849 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.564 4.205 7.161 1.00 0.00 C ATOM 346 CE1 PHE A 22 87.749 6.561 8.104 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.186 4.222 8.414 1.00 0.00 C ATOM 348 CZ PHE A 22 87.779 5.400 8.886 1.00 0.00 C ATOM 0 H PHE A 22 83.869 5.421 6.422 1.00 0.00 H new ATOM 0 HA PHE A 22 85.426 7.488 4.958 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.314 4.413 4.893 1.00 0.00 H new ATOM 0 HB3 PHE A 22 86.606 5.398 4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 22 87.103 7.438 6.245 1.00 0.00 H new ATOM 0 HD2 PHE A 22 86.108 3.296 6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 22 88.206 7.470 8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 22 87.209 3.327 9.018 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.259 5.413 9.853 1.00 0.00 H new ATOM 358 N ASN A 23 83.093 7.259 3.467 1.00 0.00 N ATOM 359 CA ASN A 23 82.320 7.271 2.191 1.00 0.00 C ATOM 360 C ASN A 23 82.441 8.640 1.517 1.00 0.00 C ATOM 361 O ASN A 23 82.105 9.656 2.092 1.00 0.00 O ATOM 362 CB ASN A 23 80.873 6.999 2.602 1.00 0.00 C ATOM 363 CG ASN A 23 80.047 6.644 1.365 1.00 0.00 C ATOM 364 OD1 ASN A 23 79.153 7.375 0.986 1.00 0.00 O ATOM 365 ND2 ASN A 23 80.310 5.545 0.713 1.00 0.00 N ATOM 0 H ASN A 23 82.733 7.873 4.198 1.00 0.00 H new ATOM 0 HA ASN A 23 82.685 6.532 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 23 80.836 6.182 3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.453 7.877 3.093 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.766 5.300 -0.114 1.00 0.00 H new ATOM 0 HD22 ASN A 23 81.060 4.931 1.030 1.00 0.00 H new ATOM 372 N ASN A 24 82.917 8.676 0.303 1.00 0.00 N ATOM 373 CA ASN A 24 83.060 9.980 -0.404 1.00 0.00 C ATOM 374 C ASN A 24 83.827 10.977 0.471 1.00 0.00 C ATOM 375 O ASN A 24 83.336 12.039 0.798 1.00 0.00 O ATOM 376 CB ASN A 24 81.628 10.463 -0.638 1.00 0.00 C ATOM 377 CG ASN A 24 81.640 11.640 -1.615 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.687 12.056 -2.070 1.00 0.00 O ATOM 379 ND2 ASN A 24 80.512 12.199 -1.959 1.00 0.00 N ATOM 0 H ASN A 24 83.213 7.859 -0.230 1.00 0.00 H new ATOM 0 HA ASN A 24 83.616 9.884 -1.337 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.020 9.651 -1.037 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.176 10.765 0.307 1.00 0.00 H new ATOM 0 HD21 ASN A 24 80.510 12.985 -2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 24 79.633 11.850 -1.577 1.00 0.00 H new ATOM 386 N TYR A 25 85.029 10.641 0.852 1.00 0.00 N ATOM 387 CA TYR A 25 85.831 11.565 1.707 1.00 0.00 C ATOM 388 C TYR A 25 87.171 11.867 1.031 1.00 0.00 C ATOM 389 O TYR A 25 87.598 11.161 0.140 1.00 0.00 O ATOM 390 CB TYR A 25 86.044 10.799 3.014 1.00 0.00 C ATOM 391 CG TYR A 25 87.110 11.479 3.838 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.460 11.335 3.494 1.00 0.00 C ATOM 393 CD2 TYR A 25 86.751 12.253 4.948 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.449 11.965 4.259 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.740 12.884 5.713 1.00 0.00 C ATOM 396 CZ TYR A 25 89.089 12.740 5.368 1.00 0.00 C ATOM 397 OH TYR A 25 90.063 13.362 6.123 1.00 0.00 O ATOM 0 H TYR A 25 85.492 9.765 0.608 1.00 0.00 H new ATOM 0 HA TYR A 25 85.336 12.522 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.111 10.754 3.576 1.00 0.00 H new ATOM 0 HB3 TYR A 25 86.337 9.771 2.800 1.00 0.00 H new ATOM 0 HD1 TYR A 25 88.738 10.738 2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 25 85.710 12.364 5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.490 11.853 3.994 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.462 13.481 6.569 1.00 0.00 H new ATOM 0 HH TYR A 25 89.642 13.860 6.854 1.00 0.00 H new ATOM 407 N GLY A 26 87.839 12.910 1.441 1.00 0.00 N ATOM 408 CA GLY A 26 89.149 13.237 0.811 1.00 0.00 C ATOM 409 C GLY A 26 89.021 13.134 -0.707 1.00 0.00 C ATOM 410 O GLY A 26 87.935 13.081 -1.248 1.00 0.00 O ATOM 0 H GLY A 26 87.537 13.546 2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.460 14.243 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 26 89.918 12.553 1.169 1.00 0.00 H new ATOM 414 N CYS A 27 90.125 13.110 -1.396 1.00 0.00 N ATOM 415 CA CYS A 27 90.073 13.017 -2.884 1.00 0.00 C ATOM 416 C CYS A 27 90.341 11.583 -3.353 1.00 0.00 C ATOM 417 O CYS A 27 90.247 11.282 -4.527 1.00 0.00 O ATOM 418 CB CYS A 27 91.179 13.952 -3.376 1.00 0.00 C ATOM 419 SG CYS A 27 90.442 15.354 -4.253 1.00 0.00 S ATOM 0 H CYS A 27 91.062 13.151 -0.996 1.00 0.00 H new ATOM 0 HA CYS A 27 89.093 13.293 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.771 14.308 -2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.858 13.413 -4.037 1.00 0.00 H new ATOM 424 N TYR A 28 90.683 10.695 -2.458 1.00 0.00 N ATOM 425 CA TYR A 28 90.961 9.293 -2.884 1.00 0.00 C ATOM 426 C TYR A 28 90.063 8.299 -2.136 1.00 0.00 C ATOM 427 O TYR A 28 89.780 7.223 -2.624 1.00 0.00 O ATOM 428 CB TYR A 28 92.432 9.062 -2.536 1.00 0.00 C ATOM 429 CG TYR A 28 93.299 9.848 -3.490 1.00 0.00 C ATOM 430 CD1 TYR A 28 93.354 9.490 -4.843 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.045 10.938 -3.024 1.00 0.00 C ATOM 432 CE1 TYR A 28 94.153 10.222 -5.729 1.00 0.00 C ATOM 433 CE2 TYR A 28 94.845 11.669 -3.910 1.00 0.00 C ATOM 434 CZ TYR A 28 94.899 11.310 -5.263 1.00 0.00 C ATOM 435 OH TYR A 28 95.687 12.031 -6.137 1.00 0.00 O ATOM 0 H TYR A 28 90.781 10.877 -1.459 1.00 0.00 H new ATOM 0 HA TYR A 28 90.759 9.143 -3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.628 9.371 -1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 28 92.671 8.000 -2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 28 92.780 8.649 -5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.003 11.215 -1.981 1.00 0.00 H new ATOM 0 HE1 TYR A 28 94.194 9.947 -6.773 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.420 12.509 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 28 95.142 12.714 -6.581 1.00 0.00 H new ATOM 445 N CYS A 29 89.611 8.642 -0.959 1.00 0.00 N ATOM 446 CA CYS A 29 88.735 7.698 -0.202 1.00 0.00 C ATOM 447 C CYS A 29 87.403 7.511 -0.933 1.00 0.00 C ATOM 448 O CYS A 29 86.540 8.366 -0.898 1.00 0.00 O ATOM 449 CB CYS A 29 88.508 8.359 1.158 1.00 0.00 C ATOM 450 SG CYS A 29 90.095 8.567 2.003 1.00 0.00 S ATOM 0 H CYS A 29 89.808 9.527 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 29 89.188 6.711 -0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.024 9.327 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 29 87.839 7.748 1.764 1.00 0.00 H new ATOM 455 N GLY A 30 87.227 6.400 -1.594 1.00 0.00 N ATOM 456 CA GLY A 30 85.950 6.161 -2.323 1.00 0.00 C ATOM 457 C GLY A 30 86.194 6.250 -3.831 1.00 0.00 C ATOM 458 O GLY A 30 85.303 6.030 -4.627 1.00 0.00 O ATOM 0 H GLY A 30 87.912 5.648 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.552 5.179 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.204 6.897 -2.021 1.00 0.00 H new ATOM 506 N GLY A 35 93.571 14.103 -6.836 1.00 0.00 N ATOM 507 CA GLY A 35 94.496 15.245 -6.612 1.00 0.00 C ATOM 508 C GLY A 35 95.018 15.210 -5.174 1.00 0.00 C ATOM 509 O GLY A 35 94.738 14.295 -4.425 1.00 0.00 O ATOM 0 HA2 GLY A 35 95.329 15.194 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.979 16.186 -6.799 1.00 0.00 H new ATOM 513 N THR A 36 95.776 16.197 -4.784 1.00 0.00 N ATOM 514 CA THR A 36 96.319 16.218 -3.394 1.00 0.00 C ATOM 515 C THR A 36 95.227 15.842 -2.388 1.00 0.00 C ATOM 516 O THR A 36 94.108 16.305 -2.482 1.00 0.00 O ATOM 517 CB THR A 36 96.776 17.662 -3.170 1.00 0.00 C ATOM 518 OG1 THR A 36 97.941 17.915 -3.942 1.00 0.00 O ATOM 519 CG2 THR A 36 97.089 17.878 -1.688 1.00 0.00 C ATOM 0 H THR A 36 96.044 16.990 -5.366 1.00 0.00 H new ATOM 0 HA THR A 36 97.132 15.504 -3.260 1.00 0.00 H new ATOM 0 HB THR A 36 95.982 18.344 -3.475 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.233 18.840 -3.800 1.00 0.00 H new ATOM 0 HG21 THR A 36 97.414 18.906 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.195 17.686 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 36 97.882 17.196 -1.380 1.00 0.00 H new ATOM 527 N PRO A 37 95.596 15.011 -1.449 1.00 0.00 N ATOM 528 CA PRO A 37 94.641 14.568 -0.406 1.00 0.00 C ATOM 529 C PRO A 37 94.346 15.715 0.566 1.00 0.00 C ATOM 530 O PRO A 37 94.756 16.838 0.353 1.00 0.00 O ATOM 531 CB PRO A 37 95.378 13.430 0.296 1.00 0.00 C ATOM 532 CG PRO A 37 96.828 13.702 0.051 1.00 0.00 C ATOM 533 CD PRO A 37 96.924 14.414 -1.273 1.00 0.00 C ATOM 0 HA PRO A 37 93.677 14.256 -0.809 1.00 0.00 H new ATOM 0 HB2 PRO A 37 95.154 13.413 1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 37 95.084 12.461 -0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 37 97.246 14.315 0.850 1.00 0.00 H new ATOM 0 HG3 PRO A 37 97.397 12.772 0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.705 15.174 -1.262 1.00 0.00 H new ATOM 0 HD3 PRO A 37 97.162 13.723 -2.082 1.00 0.00 H new ATOM 541 N VAL A 38 93.637 15.444 1.628 1.00 0.00 N ATOM 542 CA VAL A 38 93.319 16.528 2.602 1.00 0.00 C ATOM 543 C VAL A 38 93.904 16.202 3.983 1.00 0.00 C ATOM 544 O VAL A 38 94.442 17.060 4.653 1.00 0.00 O ATOM 545 CB VAL A 38 91.791 16.574 2.658 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.242 16.861 1.258 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.252 15.230 3.151 1.00 0.00 C ATOM 0 H VAL A 38 93.266 14.524 1.863 1.00 0.00 H new ATOM 0 HA VAL A 38 93.745 17.486 2.303 1.00 0.00 H new ATOM 0 HB VAL A 38 91.477 17.361 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.153 16.894 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 38 91.623 17.820 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.558 16.073 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.163 15.267 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 38 91.565 14.440 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.644 15.024 4.147 1.00 0.00 H new ATOM 557 N ASP A 39 93.800 14.973 4.413 1.00 0.00 N ATOM 558 CA ASP A 39 94.350 14.605 5.751 1.00 0.00 C ATOM 559 C ASP A 39 95.152 13.304 5.661 1.00 0.00 C ATOM 560 O ASP A 39 95.133 12.621 4.655 1.00 0.00 O ATOM 561 CB ASP A 39 93.122 14.415 6.642 1.00 0.00 C ATOM 562 CG ASP A 39 93.456 14.842 8.073 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.397 16.029 8.345 1.00 0.00 O ATOM 564 OD2 ASP A 39 93.767 13.973 8.872 1.00 0.00 O ATOM 0 H ASP A 39 93.360 14.210 3.898 1.00 0.00 H new ATOM 0 HA ASP A 39 95.027 15.365 6.140 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.289 15.005 6.261 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.807 13.372 6.627 1.00 0.00 H new ATOM 569 N ASP A 40 95.854 12.953 6.705 1.00 0.00 N ATOM 570 CA ASP A 40 96.652 11.694 6.674 1.00 0.00 C ATOM 571 C ASP A 40 95.760 10.519 6.271 1.00 0.00 C ATOM 572 O ASP A 40 96.194 9.597 5.610 1.00 0.00 O ATOM 573 CB ASP A 40 97.168 11.511 8.101 1.00 0.00 C ATOM 574 CG ASP A 40 97.902 12.777 8.546 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.828 13.173 7.858 1.00 0.00 O ATOM 576 OD2 ASP A 40 97.527 13.326 9.568 1.00 0.00 O ATOM 0 H ASP A 40 95.909 13.482 7.575 1.00 0.00 H new ATOM 0 HA ASP A 40 97.468 11.740 5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 40 96.337 11.304 8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 40 97.839 10.653 8.149 1.00 0.00 H new ATOM 581 N LEU A 41 94.514 10.545 6.657 1.00 0.00 N ATOM 582 CA LEU A 41 93.607 9.425 6.282 1.00 0.00 C ATOM 583 C LEU A 41 93.428 9.393 4.764 1.00 0.00 C ATOM 584 O LEU A 41 93.540 8.358 4.138 1.00 0.00 O ATOM 585 CB LEU A 41 92.276 9.729 6.967 1.00 0.00 C ATOM 586 CG LEU A 41 91.338 8.535 6.788 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.627 7.497 7.867 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.887 8.997 6.910 1.00 0.00 C ATOM 0 H LEU A 41 94.088 11.287 7.212 1.00 0.00 H new ATOM 0 HA LEU A 41 94.002 8.456 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.435 9.927 8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.829 10.626 6.539 1.00 0.00 H new ATOM 0 HG LEU A 41 91.498 8.097 5.803 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.959 6.645 7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.661 7.163 7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.468 7.940 8.850 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.221 8.143 6.782 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.727 9.437 7.894 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.676 9.740 6.141 1.00 0.00 H new ATOM 600 N ASP A 42 93.163 10.522 4.167 1.00 0.00 N ATOM 601 CA ASP A 42 92.991 10.553 2.689 1.00 0.00 C ATOM 602 C ASP A 42 94.235 9.965 2.029 1.00 0.00 C ATOM 603 O ASP A 42 94.155 9.236 1.061 1.00 0.00 O ATOM 604 CB ASP A 42 92.833 12.032 2.333 1.00 0.00 C ATOM 605 CG ASP A 42 92.425 12.165 0.865 1.00 0.00 C ATOM 606 OD1 ASP A 42 92.320 11.144 0.206 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.224 13.284 0.426 1.00 0.00 O ATOM 0 H ASP A 42 93.059 11.421 4.637 1.00 0.00 H new ATOM 0 HA ASP A 42 92.134 9.972 2.349 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.081 12.492 2.973 1.00 0.00 H new ATOM 0 HB3 ASP A 42 93.769 12.561 2.510 1.00 0.00 H new ATOM 612 N ARG A 43 95.387 10.264 2.563 1.00 0.00 N ATOM 613 CA ARG A 43 96.641 9.713 1.988 1.00 0.00 C ATOM 614 C ARG A 43 96.556 8.190 1.948 1.00 0.00 C ATOM 615 O ARG A 43 97.026 7.551 1.028 1.00 0.00 O ATOM 616 CB ARG A 43 97.737 10.161 2.952 1.00 0.00 C ATOM 617 CG ARG A 43 98.194 11.566 2.575 1.00 0.00 C ATOM 618 CD ARG A 43 99.659 11.527 2.139 1.00 0.00 C ATOM 619 NE ARG A 43 99.759 10.386 1.197 1.00 0.00 N ATOM 620 CZ ARG A 43 100.874 10.162 0.556 1.00 0.00 C ATOM 621 NH1 ARG A 43 101.996 10.059 1.214 1.00 0.00 N ATOM 622 NH2 ARG A 43 100.866 10.036 -0.743 1.00 0.00 N ATOM 0 H ARG A 43 95.512 10.868 3.375 1.00 0.00 H new ATOM 0 HA ARG A 43 96.828 10.055 0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.364 10.150 3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.578 9.469 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.574 11.957 1.768 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.074 12.239 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 43 99.951 12.461 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.320 11.389 2.995 1.00 0.00 H new ATOM 0 HE ARG A 43 98.955 9.775 1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.002 10.153 2.230 1.00 0.00 H new ATOM 0 HH12 ARG A 43 102.867 9.884 0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 43 99.989 10.113 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 43 101.737 9.861 -1.244 1.00 0.00 H new ATOM 636 N CYS A 44 95.952 7.606 2.945 1.00 0.00 N ATOM 637 CA CYS A 44 95.827 6.129 2.978 1.00 0.00 C ATOM 638 C CYS A 44 95.013 5.648 1.777 1.00 0.00 C ATOM 639 O CYS A 44 95.352 4.675 1.133 1.00 0.00 O ATOM 640 CB CYS A 44 95.089 5.821 4.282 1.00 0.00 C ATOM 641 SG CYS A 44 96.040 6.452 5.688 1.00 0.00 S ATOM 0 H CYS A 44 95.539 8.093 3.740 1.00 0.00 H new ATOM 0 HA CYS A 44 96.795 5.630 2.932 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.099 6.277 4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 44 94.943 4.746 4.383 1.00 0.00 H new ATOM 646 N CYS A 45 93.943 6.329 1.468 1.00 0.00 N ATOM 647 CA CYS A 45 93.108 5.917 0.305 1.00 0.00 C ATOM 648 C CYS A 45 93.937 6.018 -0.976 1.00 0.00 C ATOM 649 O CYS A 45 93.967 5.110 -1.782 1.00 0.00 O ATOM 650 CB CYS A 45 91.944 6.907 0.277 1.00 0.00 C ATOM 651 SG CYS A 45 90.998 6.770 1.814 1.00 0.00 S ATOM 0 H CYS A 45 93.612 7.152 1.971 1.00 0.00 H new ATOM 0 HA CYS A 45 92.754 4.889 0.383 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.320 7.923 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.300 6.703 -0.578 1.00 0.00 H new ATOM 656 N GLN A 46 94.621 7.113 -1.159 1.00 0.00 N ATOM 657 CA GLN A 46 95.462 7.272 -2.379 1.00 0.00 C ATOM 658 C GLN A 46 96.480 6.134 -2.453 1.00 0.00 C ATOM 659 O GLN A 46 96.763 5.606 -3.510 1.00 0.00 O ATOM 660 CB GLN A 46 96.173 8.614 -2.196 1.00 0.00 C ATOM 661 CG GLN A 46 96.921 8.975 -3.481 1.00 0.00 C ATOM 662 CD GLN A 46 98.025 9.976 -3.164 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.194 10.380 -2.030 1.00 0.00 O ATOM 664 NE2 GLN A 46 98.792 10.398 -4.128 1.00 0.00 N ATOM 0 H GLN A 46 94.634 7.905 -0.516 1.00 0.00 H new ATOM 0 HA GLN A 46 94.877 7.245 -3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 46 95.448 9.391 -1.954 1.00 0.00 H new ATOM 0 HB3 GLN A 46 96.871 8.557 -1.360 1.00 0.00 H new ATOM 0 HG2 GLN A 46 97.347 8.078 -3.930 1.00 0.00 H new ATOM 0 HG3 GLN A 46 96.230 9.399 -4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 46 98.649 10.058 -5.079 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.536 11.068 -3.932 1.00 0.00 H new ATOM 673 N THR A 47 97.032 5.756 -1.334 1.00 0.00 N ATOM 674 CA THR A 47 98.031 4.656 -1.327 1.00 0.00 C ATOM 675 C THR A 47 97.391 3.355 -1.816 1.00 0.00 C ATOM 676 O THR A 47 98.026 2.546 -2.462 1.00 0.00 O ATOM 677 CB THR A 47 98.469 4.525 0.132 1.00 0.00 C ATOM 678 OG1 THR A 47 98.785 5.811 0.647 1.00 0.00 O ATOM 679 CG2 THR A 47 99.700 3.621 0.216 1.00 0.00 C ATOM 0 H THR A 47 96.832 6.165 -0.421 1.00 0.00 H new ATOM 0 HA THR A 47 98.874 4.861 -1.987 1.00 0.00 H new ATOM 0 HB THR A 47 97.660 4.089 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 47 97.996 6.189 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.012 3.527 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 47 99.455 2.635 -0.179 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.511 4.055 -0.369 1.00 0.00 H new ATOM 687 N HIS A 48 96.136 3.148 -1.520 1.00 0.00 N ATOM 688 CA HIS A 48 95.465 1.899 -1.979 1.00 0.00 C ATOM 689 C HIS A 48 95.476 1.857 -3.504 1.00 0.00 C ATOM 690 O HIS A 48 95.851 0.874 -4.112 1.00 0.00 O ATOM 691 CB HIS A 48 94.034 1.998 -1.451 1.00 0.00 C ATOM 692 CG HIS A 48 93.334 0.682 -1.653 1.00 0.00 C ATOM 693 ND1 HIS A 48 91.996 0.603 -2.007 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.773 -0.615 -1.557 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.681 -0.701 -2.111 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.728 -1.487 -1.846 1.00 0.00 N ATOM 0 H HIS A 48 95.549 3.787 -0.983 1.00 0.00 H new ATOM 0 HA HIS A 48 95.959 0.996 -1.622 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.043 2.259 -0.393 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.497 2.791 -1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.778 -0.914 -1.297 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.700 -1.068 -2.377 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.756 -2.507 -1.854 1.00 0.00 H new ATOM 704 N ASP A 49 95.076 2.930 -4.127 1.00 0.00 N ATOM 705 CA ASP A 49 95.072 2.974 -5.608 1.00 0.00 C ATOM 706 C ASP A 49 96.498 2.781 -6.127 1.00 0.00 C ATOM 707 O ASP A 49 96.737 2.053 -7.071 1.00 0.00 O ATOM 708 CB ASP A 49 94.554 4.369 -5.959 1.00 0.00 C ATOM 709 CG ASP A 49 93.025 4.350 -6.006 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.427 3.965 -5.014 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.477 4.721 -7.030 1.00 0.00 O ATOM 0 H ASP A 49 94.751 3.781 -3.668 1.00 0.00 H new ATOM 0 HA ASP A 49 94.456 2.192 -6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 49 94.896 5.092 -5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 49 94.954 4.685 -6.922 1.00 0.00 H new ATOM 716 N ASN A 50 97.446 3.431 -5.509 1.00 0.00 N ATOM 717 CA ASN A 50 98.860 3.300 -5.946 1.00 0.00 C ATOM 718 C ASN A 50 99.329 1.850 -5.795 1.00 0.00 C ATOM 719 O ASN A 50 100.065 1.336 -6.614 1.00 0.00 O ATOM 720 CB ASN A 50 99.644 4.220 -5.010 1.00 0.00 C ATOM 721 CG ASN A 50 99.664 5.636 -5.586 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.337 5.840 -6.739 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.036 6.632 -4.829 1.00 0.00 N ATOM 0 H ASN A 50 97.297 4.052 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 50 98.998 3.568 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.187 4.225 -4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.662 3.851 -4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.052 7.580 -5.205 1.00 0.00 H new ATOM 0 HD22 ASN A 50 100.311 6.462 -3.861 1.00 0.00 H new ATOM 730 N CYS A 51 98.907 1.188 -4.754 1.00 0.00 N ATOM 731 CA CYS A 51 99.327 -0.229 -4.549 1.00 0.00 C ATOM 732 C CYS A 51 98.747 -1.118 -5.653 1.00 0.00 C ATOM 733 O CYS A 51 99.391 -2.034 -6.128 1.00 0.00 O ATOM 734 CB CYS A 51 98.745 -0.616 -3.189 1.00 0.00 C ATOM 735 SG CYS A 51 99.583 -2.095 -2.571 1.00 0.00 S ATOM 0 H CYS A 51 98.289 1.566 -4.036 1.00 0.00 H new ATOM 0 HA CYS A 51 100.410 -0.350 -4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.867 0.205 -2.483 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.675 -0.803 -3.280 1.00 0.00 H new ATOM 740 N TYR A 52 97.536 -0.857 -6.064 1.00 0.00 N ATOM 741 CA TYR A 52 96.914 -1.688 -7.136 1.00 0.00 C ATOM 742 C TYR A 52 97.659 -1.493 -8.460 1.00 0.00 C ATOM 743 O TYR A 52 97.659 -2.354 -9.316 1.00 0.00 O ATOM 744 CB TYR A 52 95.475 -1.182 -7.242 1.00 0.00 C ATOM 745 CG TYR A 52 94.591 -1.947 -6.280 1.00 0.00 C ATOM 746 CD1 TYR A 52 95.160 -2.665 -5.218 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.202 -1.937 -6.452 1.00 0.00 C ATOM 748 CE1 TYR A 52 94.339 -3.371 -4.331 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.382 -2.643 -5.563 1.00 0.00 C ATOM 750 CZ TYR A 52 92.951 -3.361 -4.504 1.00 0.00 C ATOM 751 OH TYR A 52 92.141 -4.056 -3.629 1.00 0.00 O ATOM 0 H TYR A 52 96.950 -0.104 -5.704 1.00 0.00 H new ATOM 0 HA TYR A 52 96.954 -2.754 -6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.437 -0.116 -7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 52 95.111 -1.305 -8.262 1.00 0.00 H new ATOM 0 HD1 TYR A 52 96.232 -2.673 -5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.763 -1.385 -7.270 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.777 -3.923 -3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 52 91.310 -2.634 -5.694 1.00 0.00 H new ATOM 0 HH TYR A 52 92.696 -4.528 -2.974 1.00 0.00 H new ATOM 761 N LYS A 53 98.306 -0.372 -8.629 1.00 0.00 N ATOM 762 CA LYS A 53 99.060 -0.134 -9.894 1.00 0.00 C ATOM 763 C LYS A 53 100.354 -0.927 -9.833 1.00 0.00 C ATOM 764 O LYS A 53 100.688 -1.689 -10.718 1.00 0.00 O ATOM 765 CB LYS A 53 99.380 1.367 -9.934 1.00 0.00 C ATOM 766 CG LYS A 53 98.230 2.178 -9.343 1.00 0.00 C ATOM 767 CD LYS A 53 97.671 3.123 -10.409 1.00 0.00 C ATOM 768 CE LYS A 53 98.200 4.537 -10.162 1.00 0.00 C ATOM 769 NZ LYS A 53 97.881 5.289 -11.407 1.00 0.00 N ATOM 0 H LYS A 53 98.346 0.387 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 53 98.493 -0.436 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.295 1.564 -9.376 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.561 1.678 -10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.446 1.510 -8.986 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.578 2.749 -8.482 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.963 2.782 -11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 53 96.581 3.120 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 53 97.723 4.991 -9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 53 99.273 4.529 -9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 98.214 6.270 -11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 98.354 4.838 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 96.852 5.285 -11.561 1.00 0.00 H new ATOM 783 N GLN A 54 101.078 -0.741 -8.773 1.00 0.00 N ATOM 784 CA GLN A 54 102.363 -1.467 -8.600 1.00 0.00 C ATOM 785 C GLN A 54 102.121 -2.977 -8.645 1.00 0.00 C ATOM 786 O GLN A 54 102.929 -3.733 -9.147 1.00 0.00 O ATOM 787 CB GLN A 54 102.870 -1.050 -7.221 1.00 0.00 C ATOM 788 CG GLN A 54 103.484 0.347 -7.304 1.00 0.00 C ATOM 789 CD GLN A 54 103.514 0.975 -5.909 1.00 0.00 C ATOM 790 OE1 GLN A 54 102.693 0.662 -5.070 1.00 0.00 O ATOM 791 NE2 GLN A 54 104.434 1.856 -5.624 1.00 0.00 N ATOM 0 H GLN A 54 100.834 -0.111 -8.009 1.00 0.00 H new ATOM 0 HA GLN A 54 103.081 -1.233 -9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 54 102.050 -1.056 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.612 -1.764 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 54 104.494 0.288 -7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 54 102.903 0.971 -7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 54 105.124 2.119 -6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 54 104.463 2.281 -4.697 1.00 0.00 H new ATOM 800 N ALA A 55 101.012 -3.418 -8.117 1.00 0.00 N ATOM 801 CA ALA A 55 100.711 -4.878 -8.120 1.00 0.00 C ATOM 802 C ALA A 55 100.452 -5.366 -9.547 1.00 0.00 C ATOM 803 O ALA A 55 100.826 -6.460 -9.916 1.00 0.00 O ATOM 804 CB ALA A 55 99.450 -5.024 -7.269 1.00 0.00 C ATOM 0 H ALA A 55 100.301 -2.830 -7.683 1.00 0.00 H new ATOM 0 HA ALA A 55 101.540 -5.469 -7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 55 99.162 -6.074 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.646 -4.656 -6.262 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.641 -4.446 -7.715 1.00 0.00 H new ATOM 810 N LYS A 56 99.815 -4.563 -10.352 1.00 0.00 N ATOM 811 CA LYS A 56 99.536 -4.986 -11.752 1.00 0.00 C ATOM 812 C LYS A 56 100.840 -5.052 -12.553 1.00 0.00 C ATOM 813 O LYS A 56 101.039 -5.935 -13.363 1.00 0.00 O ATOM 814 CB LYS A 56 98.610 -3.906 -12.313 1.00 0.00 C ATOM 815 CG LYS A 56 97.154 -4.285 -12.032 1.00 0.00 C ATOM 816 CD LYS A 56 96.257 -3.721 -13.135 1.00 0.00 C ATOM 817 CE LYS A 56 95.304 -2.684 -12.536 1.00 0.00 C ATOM 818 NZ LYS A 56 96.182 -1.556 -12.117 1.00 0.00 N ATOM 0 H LYS A 56 99.476 -3.634 -10.102 1.00 0.00 H new ATOM 0 HA LYS A 56 99.083 -5.976 -11.805 1.00 0.00 H new ATOM 0 HB2 LYS A 56 98.840 -2.943 -11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.768 -3.798 -13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 56 97.052 -5.369 -11.985 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.846 -3.893 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.865 -3.264 -13.915 1.00 0.00 H new ATOM 0 HD3 LYS A 56 95.689 -4.525 -13.604 1.00 0.00 H new ATOM 0 HE2 LYS A 56 94.564 -2.358 -13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 56 94.756 -3.094 -11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 95.622 -0.681 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 96.589 -1.761 -11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 96.949 -1.437 -12.810 1.00 0.00 H new ATOM 832 N LYS A 57 101.728 -4.121 -12.333 1.00 0.00 N ATOM 833 CA LYS A 57 103.013 -4.127 -13.080 1.00 0.00 C ATOM 834 C LYS A 57 103.814 -5.396 -12.768 1.00 0.00 C ATOM 835 O LYS A 57 104.546 -5.897 -13.599 1.00 0.00 O ATOM 836 CB LYS A 57 103.762 -2.886 -12.591 1.00 0.00 C ATOM 837 CG LYS A 57 104.317 -2.121 -13.794 1.00 0.00 C ATOM 838 CD LYS A 57 104.038 -0.626 -13.625 1.00 0.00 C ATOM 839 CE LYS A 57 104.944 -0.056 -12.532 1.00 0.00 C ATOM 840 NZ LYS A 57 104.445 1.329 -12.307 1.00 0.00 N ATOM 0 H LYS A 57 101.617 -3.357 -11.667 1.00 0.00 H new ATOM 0 HA LYS A 57 102.858 -4.114 -14.159 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.092 -2.246 -12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.574 -3.177 -11.925 1.00 0.00 H new ATOM 0 HG2 LYS A 57 105.390 -2.293 -13.884 1.00 0.00 H new ATOM 0 HG3 LYS A 57 103.858 -2.485 -14.713 1.00 0.00 H new ATOM 0 HD2 LYS A 57 104.213 -0.104 -14.566 1.00 0.00 H new ATOM 0 HD3 LYS A 57 102.992 -0.468 -13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 57 104.886 -0.650 -11.620 1.00 0.00 H new ATOM 0 HE3 LYS A 57 105.988 -0.054 -12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 105.016 1.788 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 104.519 1.872 -13.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 103.451 1.295 -12.004 1.00 0.00 H new ATOM 854 N LEU A 58 103.688 -5.913 -11.577 1.00 0.00 N ATOM 855 CA LEU A 58 104.448 -7.144 -11.214 1.00 0.00 C ATOM 856 C LEU A 58 104.419 -8.150 -12.367 1.00 0.00 C ATOM 857 O LEU A 58 103.408 -8.338 -13.016 1.00 0.00 O ATOM 858 CB LEU A 58 103.729 -7.712 -9.990 1.00 0.00 C ATOM 859 CG LEU A 58 104.586 -7.485 -8.743 1.00 0.00 C ATOM 860 CD1 LEU A 58 104.336 -6.078 -8.200 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.211 -8.516 -7.675 1.00 0.00 C ATOM 0 H LEU A 58 103.092 -5.537 -10.839 1.00 0.00 H new ATOM 0 HA LEU A 58 105.497 -6.930 -11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.758 -7.231 -9.870 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.542 -8.777 -10.127 1.00 0.00 H new ATOM 0 HG LEU A 58 105.639 -7.592 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.947 -5.917 -7.312 1.00 0.00 H new ATOM 0 HD12 LEU A 58 104.600 -5.343 -8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.283 -5.970 -7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 58 104.820 -8.356 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 58 103.157 -8.407 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 58 104.388 -9.520 -8.061 1.00 0.00 H new ATOM 873 N ASP A 59 105.519 -8.802 -12.623 1.00 0.00 N ATOM 874 CA ASP A 59 105.556 -9.800 -13.731 1.00 0.00 C ATOM 875 C ASP A 59 104.324 -10.707 -13.662 1.00 0.00 C ATOM 876 O ASP A 59 103.564 -10.809 -14.605 1.00 0.00 O ATOM 877 CB ASP A 59 106.834 -10.606 -13.491 1.00 0.00 C ATOM 878 CG ASP A 59 107.381 -11.110 -14.828 1.00 0.00 C ATOM 879 OD1 ASP A 59 107.558 -10.296 -15.718 1.00 0.00 O ATOM 880 OD2 ASP A 59 107.614 -12.303 -14.937 1.00 0.00 O ATOM 0 H ASP A 59 106.395 -8.688 -12.113 1.00 0.00 H new ATOM 0 HA ASP A 59 105.550 -9.331 -14.715 1.00 0.00 H new ATOM 0 HB2 ASP A 59 107.579 -9.986 -12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 59 106.626 -11.448 -12.831 1.00 0.00 H new ATOM 885 N SER A 60 104.122 -11.367 -12.555 1.00 0.00 N ATOM 886 CA SER A 60 102.939 -12.265 -12.427 1.00 0.00 C ATOM 887 C SER A 60 101.698 -11.598 -13.024 1.00 0.00 C ATOM 888 O SER A 60 100.867 -12.243 -13.632 1.00 0.00 O ATOM 889 CB SER A 60 102.762 -12.473 -10.924 1.00 0.00 C ATOM 890 OG SER A 60 103.897 -13.152 -10.406 1.00 0.00 O ATOM 0 H SER A 60 104.725 -11.324 -11.733 1.00 0.00 H new ATOM 0 HA SER A 60 103.078 -13.207 -12.957 1.00 0.00 H new ATOM 0 HB2 SER A 60 102.640 -11.512 -10.424 1.00 0.00 H new ATOM 0 HB3 SER A 60 101.858 -13.051 -10.729 1.00 0.00 H new ATOM 0 HG SER A 60 104.500 -12.506 -9.983 1.00 0.00 H new ATOM 896 N CYS A 61 101.566 -10.311 -12.857 1.00 0.00 N ATOM 897 CA CYS A 61 100.377 -9.606 -13.415 1.00 0.00 C ATOM 898 C CYS A 61 100.578 -9.334 -14.908 1.00 0.00 C ATOM 899 O CYS A 61 99.672 -9.487 -15.704 1.00 0.00 O ATOM 900 CB CYS A 61 100.292 -8.293 -12.635 1.00 0.00 C ATOM 901 SG CYS A 61 99.524 -8.599 -11.026 1.00 0.00 S ATOM 0 H CYS A 61 102.229 -9.717 -12.359 1.00 0.00 H new ATOM 0 HA CYS A 61 99.464 -10.194 -13.320 1.00 0.00 H new ATOM 0 HB2 CYS A 61 101.288 -7.872 -12.501 1.00 0.00 H new ATOM 0 HB3 CYS A 61 99.710 -7.561 -13.195 1.00 0.00 H new ATOM 906 N LYS A 62 101.757 -8.931 -15.293 1.00 0.00 N ATOM 907 CA LYS A 62 102.018 -8.651 -16.734 1.00 0.00 C ATOM 908 C LYS A 62 101.710 -9.891 -17.580 1.00 0.00 C ATOM 909 O LYS A 62 101.479 -9.802 -18.770 1.00 0.00 O ATOM 910 CB LYS A 62 103.507 -8.308 -16.806 1.00 0.00 C ATOM 911 CG LYS A 62 103.924 -8.135 -18.267 1.00 0.00 C ATOM 912 CD LYS A 62 105.413 -8.456 -18.414 1.00 0.00 C ATOM 913 CE LYS A 62 106.120 -7.297 -19.120 1.00 0.00 C ATOM 914 NZ LYS A 62 107.108 -7.945 -20.027 1.00 0.00 N ATOM 0 H LYS A 62 102.552 -8.783 -14.672 1.00 0.00 H new ATOM 0 HA LYS A 62 101.394 -7.844 -17.118 1.00 0.00 H new ATOM 0 HB2 LYS A 62 103.707 -7.392 -16.250 1.00 0.00 H new ATOM 0 HB3 LYS A 62 104.095 -9.099 -16.341 1.00 0.00 H new ATOM 0 HG2 LYS A 62 103.334 -8.793 -18.905 1.00 0.00 H new ATOM 0 HG3 LYS A 62 103.727 -7.114 -18.594 1.00 0.00 H new ATOM 0 HD2 LYS A 62 105.858 -8.623 -17.433 1.00 0.00 H new ATOM 0 HD3 LYS A 62 105.543 -9.376 -18.984 1.00 0.00 H new ATOM 0 HE2 LYS A 62 105.413 -6.685 -19.679 1.00 0.00 H new ATOM 0 HE3 LYS A 62 106.613 -6.640 -18.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 107.633 -7.214 -20.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 107.772 -8.516 -19.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 106.609 -8.559 -20.702 1.00 0.00 H new ATOM 928 N VAL A 63 101.704 -11.047 -16.973 1.00 0.00 N ATOM 929 CA VAL A 63 101.410 -12.293 -17.741 1.00 0.00 C ATOM 930 C VAL A 63 99.933 -12.669 -17.589 1.00 0.00 C ATOM 931 O VAL A 63 99.180 -12.664 -18.542 1.00 0.00 O ATOM 932 CB VAL A 63 102.304 -13.362 -17.114 1.00 0.00 C ATOM 933 CG1 VAL A 63 101.989 -14.721 -17.738 1.00 0.00 C ATOM 934 CG2 VAL A 63 103.770 -13.011 -17.375 1.00 0.00 C ATOM 0 H VAL A 63 101.890 -11.183 -15.979 1.00 0.00 H new ATOM 0 HA VAL A 63 101.600 -12.178 -18.808 1.00 0.00 H new ATOM 0 HB VAL A 63 102.123 -13.405 -16.040 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.627 -15.483 -17.291 1.00 0.00 H new ATOM 0 HG12 VAL A 63 100.944 -14.971 -17.557 1.00 0.00 H new ATOM 0 HG13 VAL A 63 102.172 -14.679 -18.812 1.00 0.00 H new ATOM 0 HG21 VAL A 63 104.411 -13.771 -16.929 1.00 0.00 H new ATOM 0 HG22 VAL A 63 103.949 -12.970 -18.449 1.00 0.00 H new ATOM 0 HG23 VAL A 63 103.996 -12.041 -16.933 1.00 0.00 H new ATOM 1019 N TYR A 69 90.628 -5.541 -8.985 1.00 0.00 N ATOM 1020 CA TYR A 69 89.214 -5.295 -8.580 1.00 0.00 C ATOM 1021 C TYR A 69 88.484 -6.620 -8.334 1.00 0.00 C ATOM 1022 O TYR A 69 88.257 -7.015 -7.208 1.00 0.00 O ATOM 1023 CB TYR A 69 88.591 -4.551 -9.762 1.00 0.00 C ATOM 1024 CG TYR A 69 88.416 -3.081 -9.405 1.00 0.00 C ATOM 1025 CD1 TYR A 69 89.409 -2.413 -8.680 1.00 0.00 C ATOM 1026 CD2 TYR A 69 87.260 -2.396 -9.803 1.00 0.00 C ATOM 1027 CE1 TYR A 69 89.249 -1.061 -8.354 1.00 0.00 C ATOM 1028 CE2 TYR A 69 87.100 -1.044 -9.477 1.00 0.00 C ATOM 1029 CZ TYR A 69 88.094 -0.377 -8.752 1.00 0.00 C ATOM 1030 OH TYR A 69 87.936 0.955 -8.430 1.00 0.00 O ATOM 0 HA TYR A 69 89.146 -4.726 -7.653 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.227 -4.649 -10.642 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.627 -4.992 -10.015 1.00 0.00 H new ATOM 0 HD1 TYR A 69 90.299 -2.941 -8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.492 -2.911 -10.361 1.00 0.00 H new ATOM 0 HE1 TYR A 69 90.016 -0.546 -7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 69 86.210 -0.516 -9.785 1.00 0.00 H new ATOM 0 HH TYR A 69 87.080 1.277 -8.782 1.00 0.00 H new ATOM 1040 N THR A 70 88.109 -7.304 -9.381 1.00 0.00 N ATOM 1041 CA THR A 70 87.389 -8.595 -9.213 1.00 0.00 C ATOM 1042 C THR A 70 88.249 -9.593 -8.435 1.00 0.00 C ATOM 1043 O THR A 70 87.772 -10.620 -7.995 1.00 0.00 O ATOM 1044 CB THR A 70 87.140 -9.102 -10.635 1.00 0.00 C ATOM 1045 OG1 THR A 70 88.339 -8.999 -11.389 1.00 0.00 O ATOM 1046 CG2 THR A 70 86.044 -8.265 -11.299 1.00 0.00 C ATOM 0 H THR A 70 88.272 -7.022 -10.348 1.00 0.00 H new ATOM 0 HA THR A 70 86.462 -8.473 -8.653 1.00 0.00 H new ATOM 0 HB THR A 70 86.821 -10.144 -10.596 1.00 0.00 H new ATOM 0 HG1 THR A 70 88.182 -9.325 -12.300 1.00 0.00 H new ATOM 0 HG21 THR A 70 85.870 -8.630 -12.311 1.00 0.00 H new ATOM 0 HG22 THR A 70 85.123 -8.347 -10.721 1.00 0.00 H new ATOM 0 HG23 THR A 70 86.357 -7.221 -11.338 1.00 0.00 H new ATOM 1054 N ASN A 71 89.511 -9.303 -8.265 1.00 0.00 N ATOM 1055 CA ASN A 71 90.398 -10.242 -7.516 1.00 0.00 C ATOM 1056 C ASN A 71 89.668 -10.794 -6.289 1.00 0.00 C ATOM 1057 O ASN A 71 89.008 -10.070 -5.571 1.00 0.00 O ATOM 1058 CB ASN A 71 91.603 -9.400 -7.092 1.00 0.00 C ATOM 1059 CG ASN A 71 92.702 -10.317 -6.550 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.536 -10.943 -5.522 1.00 0.00 O ATOM 1061 ND2 ASN A 71 93.828 -10.423 -7.203 1.00 0.00 N ATOM 0 H ASN A 71 89.966 -8.458 -8.611 1.00 0.00 H new ATOM 0 HA ASN A 71 90.695 -11.099 -8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 71 91.978 -8.829 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.307 -8.680 -6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 71 94.567 -11.031 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 71 93.968 -9.898 -8.066 1.00 0.00 H new ATOM 1068 N ASN A 72 89.773 -12.074 -6.048 1.00 0.00 N ATOM 1069 CA ASN A 72 89.076 -12.669 -4.872 1.00 0.00 C ATOM 1070 C ASN A 72 90.080 -13.373 -3.955 1.00 0.00 C ATOM 1071 O ASN A 72 90.080 -14.582 -3.834 1.00 0.00 O ATOM 1072 CB ASN A 72 88.092 -13.680 -5.463 1.00 0.00 C ATOM 1073 CG ASN A 72 87.293 -13.019 -6.586 1.00 0.00 C ATOM 1074 OD1 ASN A 72 87.737 -12.972 -7.716 1.00 0.00 O ATOM 1075 ND2 ASN A 72 86.124 -12.502 -6.323 1.00 0.00 N ATOM 0 H ASN A 72 90.310 -12.731 -6.614 1.00 0.00 H new ATOM 0 HA ASN A 72 88.573 -11.913 -4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 72 88.631 -14.546 -5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 72 87.417 -14.043 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 72 85.584 -12.059 -7.066 1.00 0.00 H new ATOM 0 HD22 ASN A 72 85.751 -12.541 -5.375 1.00 0.00 H new ATOM 1082 N TYR A 73 90.929 -12.628 -3.301 1.00 0.00 N ATOM 1083 CA TYR A 73 91.921 -13.266 -2.389 1.00 0.00 C ATOM 1084 C TYR A 73 91.232 -13.684 -1.086 1.00 0.00 C ATOM 1085 O TYR A 73 90.253 -13.093 -0.676 1.00 0.00 O ATOM 1086 CB TYR A 73 92.981 -12.193 -2.130 1.00 0.00 C ATOM 1087 CG TYR A 73 92.320 -10.934 -1.623 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.916 -10.845 -0.286 1.00 0.00 C ATOM 1089 CD2 TYR A 73 92.117 -9.854 -2.490 1.00 0.00 C ATOM 1090 CE1 TYR A 73 91.307 -9.676 0.184 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.509 -8.684 -2.019 1.00 0.00 C ATOM 1092 CZ TYR A 73 91.105 -8.595 -0.682 1.00 0.00 C ATOM 1093 OH TYR A 73 90.508 -7.440 -0.218 1.00 0.00 O ATOM 0 H TYR A 73 90.979 -11.611 -3.358 1.00 0.00 H new ATOM 0 HA TYR A 73 92.364 -14.165 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.706 -12.553 -1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 73 93.530 -11.982 -3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 73 92.074 -11.678 0.383 1.00 0.00 H new ATOM 0 HD2 TYR A 73 92.429 -9.923 -3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 73 90.993 -9.608 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.352 -7.850 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 73 90.775 -6.684 -0.782 1.00 0.00 H new ATOM 1103 N SER A 74 91.726 -14.704 -0.438 1.00 0.00 N ATOM 1104 CA SER A 74 91.084 -15.160 0.831 1.00 0.00 C ATOM 1105 C SER A 74 91.737 -14.486 2.039 1.00 0.00 C ATOM 1106 O SER A 74 92.938 -14.304 2.087 1.00 0.00 O ATOM 1107 CB SER A 74 91.317 -16.669 0.871 1.00 0.00 C ATOM 1108 OG SER A 74 90.063 -17.336 0.862 1.00 0.00 O ATOM 0 H SER A 74 92.543 -15.240 -0.730 1.00 0.00 H new ATOM 0 HA SER A 74 90.025 -14.906 0.866 1.00 0.00 H new ATOM 0 HB2 SER A 74 91.914 -16.980 0.013 1.00 0.00 H new ATOM 0 HB3 SER A 74 91.879 -16.939 1.765 1.00 0.00 H new ATOM 0 HG SER A 74 90.208 -18.305 0.886 1.00 0.00 H new ATOM 1114 N TYR A 75 90.955 -14.119 3.017 1.00 0.00 N ATOM 1115 CA TYR A 75 91.531 -13.463 4.226 1.00 0.00 C ATOM 1116 C TYR A 75 90.581 -13.617 5.422 1.00 0.00 C ATOM 1117 O TYR A 75 89.467 -14.084 5.287 1.00 0.00 O ATOM 1118 CB TYR A 75 91.699 -11.987 3.837 1.00 0.00 C ATOM 1119 CG TYR A 75 90.379 -11.241 4.012 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.468 -11.165 2.951 1.00 0.00 C ATOM 1121 CD2 TYR A 75 90.081 -10.630 5.236 1.00 0.00 C ATOM 1122 CE1 TYR A 75 88.260 -10.477 3.115 1.00 0.00 C ATOM 1123 CE2 TYR A 75 88.872 -9.944 5.400 1.00 0.00 C ATOM 1124 CZ TYR A 75 87.962 -9.867 4.340 1.00 0.00 C ATOM 1125 OH TYR A 75 86.770 -9.188 4.501 1.00 0.00 O ATOM 0 H TYR A 75 89.943 -14.245 3.032 1.00 0.00 H new ATOM 0 HA TYR A 75 92.479 -13.909 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.470 -11.526 4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.033 -11.912 2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.697 -11.637 2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.784 -10.688 6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.558 -10.417 2.297 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.642 -9.474 6.345 1.00 0.00 H new ATOM 0 HH TYR A 75 86.720 -8.826 5.410 1.00 0.00 H new ATOM 1135 N SER A 76 91.017 -13.226 6.587 1.00 0.00 N ATOM 1136 CA SER A 76 90.149 -13.344 7.794 1.00 0.00 C ATOM 1137 C SER A 76 90.394 -12.157 8.728 1.00 0.00 C ATOM 1138 O SER A 76 91.189 -11.285 8.440 1.00 0.00 O ATOM 1139 CB SER A 76 90.575 -14.649 8.466 1.00 0.00 C ATOM 1140 OG SER A 76 89.552 -15.621 8.296 1.00 0.00 O ATOM 0 H SER A 76 91.941 -12.828 6.757 1.00 0.00 H new ATOM 0 HA SER A 76 89.088 -13.345 7.544 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.508 -15.007 8.032 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.761 -14.481 9.527 1.00 0.00 H new ATOM 0 HG SER A 76 89.823 -16.460 8.724 1.00 0.00 H new ATOM 1146 N CYS A 77 89.723 -12.117 9.846 1.00 0.00 N ATOM 1147 CA CYS A 77 89.929 -10.981 10.791 1.00 0.00 C ATOM 1148 C CYS A 77 89.923 -11.480 12.231 1.00 0.00 C ATOM 1149 O CYS A 77 89.509 -12.585 12.524 1.00 0.00 O ATOM 1150 CB CYS A 77 88.753 -10.040 10.550 1.00 0.00 C ATOM 1151 SG CYS A 77 88.703 -8.755 11.826 1.00 0.00 S ATOM 0 H CYS A 77 89.044 -12.817 10.146 1.00 0.00 H new ATOM 0 HA CYS A 77 90.887 -10.486 10.630 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.842 -9.581 9.565 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.820 -10.604 10.556 1.00 0.00 H new ATOM 1156 N SER A 78 90.380 -10.660 13.128 1.00 0.00 N ATOM 1157 CA SER A 78 90.415 -11.047 14.571 1.00 0.00 C ATOM 1158 C SER A 78 91.302 -10.079 15.359 1.00 0.00 C ATOM 1159 O SER A 78 92.223 -9.493 14.824 1.00 0.00 O ATOM 1160 CB SER A 78 91.012 -12.455 14.602 1.00 0.00 C ATOM 1161 OG SER A 78 91.779 -12.613 15.788 1.00 0.00 O ATOM 0 H SER A 78 90.736 -9.726 12.926 1.00 0.00 H new ATOM 0 HA SER A 78 89.423 -11.016 15.022 1.00 0.00 H new ATOM 0 HB2 SER A 78 90.217 -13.200 14.567 1.00 0.00 H new ATOM 0 HB3 SER A 78 91.639 -12.616 13.725 1.00 0.00 H new ATOM 0 HG SER A 78 92.162 -13.515 15.812 1.00 0.00 H new ATOM 1167 N ASN A 79 91.034 -9.913 16.627 1.00 0.00 N ATOM 1168 CA ASN A 79 91.861 -8.988 17.457 1.00 0.00 C ATOM 1169 C ASN A 79 92.203 -7.722 16.668 1.00 0.00 C ATOM 1170 O ASN A 79 93.350 -7.334 16.559 1.00 0.00 O ATOM 1171 CB ASN A 79 93.129 -9.776 17.788 1.00 0.00 C ATOM 1172 CG ASN A 79 92.788 -10.895 18.773 1.00 0.00 C ATOM 1173 OD1 ASN A 79 91.634 -11.121 19.079 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.750 -11.612 19.288 1.00 0.00 N ATOM 0 H ASN A 79 90.276 -10.379 17.125 1.00 0.00 H new ATOM 0 HA ASN A 79 91.337 -8.664 18.356 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.558 -10.196 16.878 1.00 0.00 H new ATOM 0 HB3 ASN A 79 93.880 -9.114 18.218 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.532 -12.360 19.946 1.00 0.00 H new ATOM 0 HD22 ASN A 79 94.719 -11.424 19.032 1.00 0.00 H new ATOM 1181 N ASN A 80 91.213 -7.075 16.119 1.00 0.00 N ATOM 1182 CA ASN A 80 91.462 -5.842 15.341 1.00 0.00 C ATOM 1183 C ASN A 80 92.658 -6.049 14.425 1.00 0.00 C ATOM 1184 O ASN A 80 93.492 -5.183 14.249 1.00 0.00 O ATOM 1185 CB ASN A 80 91.736 -4.763 16.381 1.00 0.00 C ATOM 1186 CG ASN A 80 90.768 -4.892 17.528 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.630 -5.446 17.314 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 91.053 -4.483 18.635 1.00 0.00 N flip ATOM 0 H ASN A 80 90.234 -7.355 16.180 1.00 0.00 H new ATOM 0 HA ASN A 80 90.622 -5.567 14.703 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.759 -4.851 16.747 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.644 -3.777 15.926 1.00 0.00 H new ATOM 0 HD21 ASN A 80 91.959 -4.044 18.799 1.00 0.00 H new ATOM 0 HD22 ASN A 80 90.387 -4.579 19.401 1.00 0.00 H new ATOM 1195 N GLU A 81 92.731 -7.201 13.836 1.00 0.00 N ATOM 1196 CA GLU A 81 93.852 -7.503 12.916 1.00 0.00 C ATOM 1197 C GLU A 81 93.333 -8.185 11.651 1.00 0.00 C ATOM 1198 O GLU A 81 92.251 -8.735 11.630 1.00 0.00 O ATOM 1199 CB GLU A 81 94.779 -8.434 13.689 1.00 0.00 C ATOM 1200 CG GLU A 81 95.522 -7.631 14.754 1.00 0.00 C ATOM 1201 CD GLU A 81 97.028 -7.841 14.599 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.537 -7.568 13.523 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.649 -8.271 15.557 1.00 0.00 O ATOM 0 H GLU A 81 92.055 -7.955 13.954 1.00 0.00 H new ATOM 0 HA GLU A 81 94.370 -6.598 12.598 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.204 -9.234 14.155 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.490 -8.905 13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.281 -6.572 14.659 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.202 -7.943 15.748 1.00 0.00 H new ATOM 1210 N ILE A 82 94.095 -8.145 10.598 1.00 0.00 N ATOM 1211 CA ILE A 82 93.642 -8.781 9.327 1.00 0.00 C ATOM 1212 C ILE A 82 94.435 -10.059 9.041 1.00 0.00 C ATOM 1213 O ILE A 82 95.634 -10.117 9.226 1.00 0.00 O ATOM 1214 CB ILE A 82 93.911 -7.736 8.247 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.995 -6.530 8.466 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.631 -8.342 6.870 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.418 -5.391 7.536 1.00 0.00 C ATOM 0 H ILE A 82 95.012 -7.700 10.559 1.00 0.00 H new ATOM 0 HA ILE A 82 92.592 -9.071 9.371 1.00 0.00 H new ATOM 0 HB ILE A 82 94.952 -7.418 8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.959 -6.807 8.271 1.00 0.00 H new ATOM 0 HG13 ILE A 82 93.048 -6.204 9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.823 -7.596 6.098 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.281 -9.203 6.712 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.590 -8.659 6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.765 -4.532 7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.448 -5.108 7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 82 93.342 -5.720 6.500 1.00 0.00 H new ATOM 1229 N THR A 83 93.765 -11.081 8.585 1.00 0.00 N ATOM 1230 CA THR A 83 94.465 -12.361 8.276 1.00 0.00 C ATOM 1231 C THR A 83 94.421 -12.629 6.766 1.00 0.00 C ATOM 1232 O THR A 83 93.379 -12.901 6.205 1.00 0.00 O ATOM 1233 CB THR A 83 93.680 -13.427 9.050 1.00 0.00 C ATOM 1234 OG1 THR A 83 94.165 -13.489 10.384 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.846 -14.796 8.384 1.00 0.00 C ATOM 0 H THR A 83 92.760 -11.085 8.412 1.00 0.00 H new ATOM 0 HA THR A 83 95.517 -12.349 8.560 1.00 0.00 H new ATOM 0 HB THR A 83 92.623 -13.161 9.051 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.665 -14.168 10.883 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.284 -15.543 8.944 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.472 -14.751 7.361 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.901 -15.069 8.372 1.00 0.00 H new ATOM 1243 N CYS A 84 95.542 -12.555 6.103 1.00 0.00 N ATOM 1244 CA CYS A 84 95.554 -12.810 4.634 1.00 0.00 C ATOM 1245 C CYS A 84 96.156 -14.187 4.341 1.00 0.00 C ATOM 1246 O CYS A 84 97.248 -14.501 4.772 1.00 0.00 O ATOM 1247 CB CYS A 84 96.427 -11.704 4.041 1.00 0.00 C ATOM 1248 SG CYS A 84 95.371 -10.394 3.374 1.00 0.00 S ATOM 0 H CYS A 84 96.448 -12.330 6.513 1.00 0.00 H new ATOM 0 HA CYS A 84 94.551 -12.805 4.208 1.00 0.00 H new ATOM 0 HB2 CYS A 84 97.088 -11.298 4.807 1.00 0.00 H new ATOM 0 HB3 CYS A 84 97.062 -12.110 3.254 1.00 0.00 H new ATOM 1253 N SER A 85 95.450 -15.011 3.615 1.00 0.00 N ATOM 1254 CA SER A 85 95.977 -16.370 3.296 1.00 0.00 C ATOM 1255 C SER A 85 97.287 -16.264 2.511 1.00 0.00 C ATOM 1256 O SER A 85 97.402 -15.495 1.577 1.00 0.00 O ATOM 1257 CB SER A 85 94.889 -17.023 2.443 1.00 0.00 C ATOM 1258 OG SER A 85 95.481 -17.618 1.296 1.00 0.00 O ATOM 0 H SER A 85 94.530 -14.802 3.228 1.00 0.00 H new ATOM 0 HA SER A 85 96.196 -16.949 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.359 -17.777 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.153 -16.278 2.141 1.00 0.00 H new ATOM 0 HG SER A 85 95.566 -16.947 0.587 1.00 0.00 H new ATOM 1264 N SER A 86 98.277 -17.030 2.884 1.00 0.00 N ATOM 1265 CA SER A 86 99.579 -16.973 2.158 1.00 0.00 C ATOM 1266 C SER A 86 99.451 -17.639 0.787 1.00 0.00 C ATOM 1267 O SER A 86 100.274 -17.448 -0.086 1.00 0.00 O ATOM 1268 CB SER A 86 100.558 -17.744 3.041 1.00 0.00 C ATOM 1269 OG SER A 86 100.388 -19.138 2.824 1.00 0.00 O ATOM 0 H SER A 86 98.241 -17.692 3.659 1.00 0.00 H new ATOM 0 HA SER A 86 99.909 -15.949 1.982 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.582 -17.451 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.386 -17.504 4.090 1.00 0.00 H new ATOM 0 HG SER A 86 101.016 -19.636 3.388 1.00 0.00 H new ATOM 1275 N GLU A 87 98.423 -18.416 0.588 1.00 0.00 N ATOM 1276 CA GLU A 87 98.241 -19.087 -0.731 1.00 0.00 C ATOM 1277 C GLU A 87 98.220 -18.043 -1.847 1.00 0.00 C ATOM 1278 O GLU A 87 98.565 -18.319 -2.980 1.00 0.00 O ATOM 1279 CB GLU A 87 96.887 -19.787 -0.633 1.00 0.00 C ATOM 1280 CG GLU A 87 97.045 -21.102 0.134 1.00 0.00 C ATOM 1281 CD GLU A 87 97.311 -22.242 -0.852 1.00 0.00 C ATOM 1282 OE1 GLU A 87 96.553 -22.369 -1.799 1.00 0.00 O ATOM 1283 OE2 GLU A 87 98.269 -22.968 -0.641 1.00 0.00 O ATOM 0 H GLU A 87 97.701 -18.616 1.280 1.00 0.00 H new ATOM 0 HA GLU A 87 99.047 -19.786 -0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.169 -19.143 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.493 -19.981 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.867 -21.023 0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 87 96.143 -21.309 0.711 1.00 0.00 H new ATOM 1290 N ASN A 88 97.811 -16.847 -1.533 1.00 0.00 N ATOM 1291 CA ASN A 88 97.756 -15.775 -2.565 1.00 0.00 C ATOM 1292 C ASN A 88 98.997 -15.833 -3.461 1.00 0.00 C ATOM 1293 O ASN A 88 100.113 -15.679 -3.005 1.00 0.00 O ATOM 1294 CB ASN A 88 97.719 -14.470 -1.771 1.00 0.00 C ATOM 1295 CG ASN A 88 96.429 -14.415 -0.949 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.657 -15.353 -0.947 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.160 -13.348 -0.246 1.00 0.00 N ATOM 0 H ASN A 88 97.511 -16.564 -0.600 1.00 0.00 H new ATOM 0 HA ASN A 88 96.893 -15.876 -3.223 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.586 -14.406 -1.113 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.769 -13.617 -2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.302 -13.303 0.304 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.808 -12.560 -0.247 1.00 0.00 H new ATOM 1304 N ASN A 89 98.809 -16.058 -4.733 1.00 0.00 N ATOM 1305 CA ASN A 89 99.976 -16.132 -5.659 1.00 0.00 C ATOM 1306 C ASN A 89 100.851 -14.885 -5.524 1.00 0.00 C ATOM 1307 O ASN A 89 100.688 -14.092 -4.619 1.00 0.00 O ATOM 1308 CB ASN A 89 99.372 -16.207 -7.051 1.00 0.00 C ATOM 1309 CG ASN A 89 99.650 -17.582 -7.661 1.00 0.00 C ATOM 1310 OD1 ASN A 89 99.445 -18.596 -7.022 1.00 0.00 O ATOM 1311 ND2 ASN A 89 100.109 -17.660 -8.880 1.00 0.00 N ATOM 0 H ASN A 89 97.898 -16.194 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 89 100.614 -16.988 -5.441 1.00 0.00 H new ATOM 0 HB2 ASN A 89 98.297 -16.031 -7.001 1.00 0.00 H new ATOM 0 HB3 ASN A 89 99.794 -15.426 -7.683 1.00 0.00 H new ATOM 0 HD21 ASN A 89 100.296 -18.572 -9.297 1.00 0.00 H new ATOM 0 HD22 ASN A 89 100.281 -16.809 -9.416 1.00 0.00 H new ATOM 1318 N ALA A 90 101.782 -14.712 -6.421 1.00 0.00 N ATOM 1319 CA ALA A 90 102.675 -13.526 -6.354 1.00 0.00 C ATOM 1320 C ALA A 90 101.855 -12.235 -6.431 1.00 0.00 C ATOM 1321 O ALA A 90 101.918 -11.396 -5.555 1.00 0.00 O ATOM 1322 CB ALA A 90 103.594 -13.650 -7.571 1.00 0.00 C ATOM 0 H ALA A 90 101.962 -15.345 -7.200 1.00 0.00 H new ATOM 0 HA ALA A 90 103.236 -13.488 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.286 -12.808 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.158 -14.581 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 90 102.994 -13.650 -8.481 1.00 0.00 H new ATOM 1328 N CYS A 91 101.087 -12.069 -7.473 1.00 0.00 N ATOM 1329 CA CYS A 91 100.265 -10.832 -7.605 1.00 0.00 C ATOM 1330 C CYS A 91 99.120 -10.847 -6.590 1.00 0.00 C ATOM 1331 O CYS A 91 98.788 -9.837 -6.002 1.00 0.00 O ATOM 1332 CB CYS A 91 99.723 -10.867 -9.034 1.00 0.00 C ATOM 1333 SG CYS A 91 100.791 -9.876 -10.107 1.00 0.00 S ATOM 0 H CYS A 91 100.993 -12.736 -8.239 1.00 0.00 H new ATOM 0 HA CYS A 91 100.843 -9.928 -7.413 1.00 0.00 H new ATOM 0 HB2 CYS A 91 99.681 -11.895 -9.394 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.705 -10.479 -9.058 1.00 0.00 H new ATOM 1338 N GLU A 92 98.516 -11.983 -6.377 1.00 0.00 N ATOM 1339 CA GLU A 92 97.397 -12.054 -5.396 1.00 0.00 C ATOM 1340 C GLU A 92 97.898 -11.652 -4.009 1.00 0.00 C ATOM 1341 O GLU A 92 97.217 -10.976 -3.262 1.00 0.00 O ATOM 1342 CB GLU A 92 96.949 -13.515 -5.407 1.00 0.00 C ATOM 1343 CG GLU A 92 96.276 -13.832 -6.744 1.00 0.00 C ATOM 1344 CD GLU A 92 95.621 -15.212 -6.674 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.598 -15.329 -6.018 1.00 0.00 O ATOM 1346 OE2 GLU A 92 96.152 -16.129 -7.277 1.00 0.00 O ATOM 0 H GLU A 92 98.748 -12.863 -6.838 1.00 0.00 H new ATOM 0 HA GLU A 92 96.578 -11.381 -5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.806 -14.171 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.256 -13.700 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.527 -13.074 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 92 97.012 -13.808 -7.548 1.00 0.00 H new ATOM 1353 N ALA A 93 99.088 -12.056 -3.661 1.00 0.00 N ATOM 1354 CA ALA A 93 99.639 -11.691 -2.325 1.00 0.00 C ATOM 1355 C ALA A 93 99.829 -10.175 -2.242 1.00 0.00 C ATOM 1356 O ALA A 93 99.563 -9.557 -1.230 1.00 0.00 O ATOM 1357 CB ALA A 93 100.987 -12.406 -2.240 1.00 0.00 C ATOM 0 H ALA A 93 99.703 -12.623 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 93 98.978 -11.980 -1.508 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.456 -12.185 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.835 -13.482 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.633 -12.062 -3.048 1.00 0.00 H new ATOM 1363 N PHE A 94 100.283 -9.571 -3.307 1.00 0.00 N ATOM 1364 CA PHE A 94 100.485 -8.095 -3.300 1.00 0.00 C ATOM 1365 C PHE A 94 99.150 -7.393 -3.047 1.00 0.00 C ATOM 1366 O PHE A 94 99.086 -6.367 -2.401 1.00 0.00 O ATOM 1367 CB PHE A 94 101.011 -7.764 -4.698 1.00 0.00 C ATOM 1368 CG PHE A 94 101.629 -6.384 -4.697 1.00 0.00 C ATOM 1369 CD1 PHE A 94 100.812 -5.250 -4.614 1.00 0.00 C ATOM 1370 CD2 PHE A 94 103.019 -6.240 -4.784 1.00 0.00 C ATOM 1371 CE1 PHE A 94 101.385 -3.972 -4.618 1.00 0.00 C ATOM 1372 CE2 PHE A 94 103.592 -4.962 -4.788 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.775 -3.828 -4.704 1.00 0.00 C ATOM 0 H PHE A 94 100.523 -10.037 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 94 101.173 -7.768 -2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.751 -8.504 -5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.198 -7.808 -5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 94 99.740 -5.361 -4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 94 103.649 -7.115 -4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 94 100.755 -3.097 -4.555 1.00 0.00 H new ATOM 0 HE2 PHE A 94 104.664 -4.851 -4.856 1.00 0.00 H new ATOM 0 HZ PHE A 94 103.217 -2.843 -4.706 1.00 0.00 H new ATOM 1383 N ILE A 95 98.081 -7.947 -3.552 1.00 0.00 N ATOM 1384 CA ILE A 95 96.744 -7.322 -3.342 1.00 0.00 C ATOM 1385 C ILE A 95 96.389 -7.332 -1.854 1.00 0.00 C ATOM 1386 O ILE A 95 95.956 -6.340 -1.301 1.00 0.00 O ATOM 1387 CB ILE A 95 95.772 -8.199 -4.132 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.088 -8.092 -5.626 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.338 -7.730 -3.881 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.706 -6.700 -6.131 1.00 0.00 C ATOM 0 H ILE A 95 98.076 -8.806 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 95 96.714 -6.283 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 95 95.876 -9.235 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.149 -8.274 -5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.540 -8.854 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.646 -8.356 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.111 -7.806 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.233 -6.694 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 95 95.931 -6.624 -7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 95 94.640 -6.536 -5.973 1.00 0.00 H new ATOM 0 HD13 ILE A 95 96.274 -5.946 -5.585 1.00 0.00 H new ATOM 1402 N CYS A 96 96.574 -8.446 -1.198 1.00 0.00 N ATOM 1403 CA CYS A 96 96.253 -8.516 0.256 1.00 0.00 C ATOM 1404 C CYS A 96 97.042 -7.447 1.011 1.00 0.00 C ATOM 1405 O CYS A 96 96.614 -6.946 2.032 1.00 0.00 O ATOM 1406 CB CYS A 96 96.689 -9.916 0.692 1.00 0.00 C ATOM 1407 SG CYS A 96 95.272 -10.796 1.397 1.00 0.00 S ATOM 0 H CYS A 96 96.933 -9.309 -1.606 1.00 0.00 H new ATOM 0 HA CYS A 96 95.197 -8.341 0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 96 97.086 -10.467 -0.161 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.490 -9.847 1.428 1.00 0.00 H new ATOM 1412 N ASN A 97 98.192 -7.090 0.509 1.00 0.00 N ATOM 1413 CA ASN A 97 99.011 -6.049 1.188 1.00 0.00 C ATOM 1414 C ASN A 97 98.412 -4.665 0.928 1.00 0.00 C ATOM 1415 O ASN A 97 98.476 -3.782 1.761 1.00 0.00 O ATOM 1416 CB ASN A 97 100.397 -6.163 0.556 1.00 0.00 C ATOM 1417 CG ASN A 97 101.131 -7.358 1.154 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.628 -8.017 2.042 1.00 0.00 O ATOM 1419 ND2 ASN A 97 102.312 -7.666 0.700 1.00 0.00 N ATOM 0 H ASN A 97 98.600 -7.475 -0.343 1.00 0.00 H new ATOM 0 HA ASN A 97 99.047 -6.185 2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.307 -6.281 -0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.965 -5.249 0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.817 -8.462 1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.732 -7.111 -0.046 1.00 0.00 H new ATOM 1426 N CYS A 98 97.826 -4.473 -0.222 1.00 0.00 N ATOM 1427 CA CYS A 98 97.218 -3.149 -0.538 1.00 0.00 C ATOM 1428 C CYS A 98 95.975 -2.924 0.328 1.00 0.00 C ATOM 1429 O CYS A 98 95.807 -1.883 0.930 1.00 0.00 O ATOM 1430 CB CYS A 98 96.835 -3.233 -2.016 1.00 0.00 C ATOM 1431 SG CYS A 98 98.308 -3.602 -3.001 1.00 0.00 S ATOM 0 H CYS A 98 97.742 -5.176 -0.957 1.00 0.00 H new ATOM 0 HA CYS A 98 97.899 -2.321 -0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 98 96.082 -4.007 -2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.393 -2.292 -2.342 1.00 0.00 H new ATOM 1436 N ASP A 99 95.105 -3.894 0.395 1.00 0.00 N ATOM 1437 CA ASP A 99 93.875 -3.736 1.224 1.00 0.00 C ATOM 1438 C ASP A 99 94.235 -3.773 2.712 1.00 0.00 C ATOM 1439 O ASP A 99 93.636 -3.096 3.523 1.00 0.00 O ATOM 1440 CB ASP A 99 92.994 -4.928 0.851 1.00 0.00 C ATOM 1441 CG ASP A 99 92.435 -4.728 -0.559 1.00 0.00 C ATOM 1442 OD1 ASP A 99 93.230 -4.616 -1.478 1.00 0.00 O ATOM 1443 OD2 ASP A 99 91.224 -4.690 -0.696 1.00 0.00 O ATOM 0 H ASP A 99 95.192 -4.788 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 99 93.371 -2.786 1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.573 -5.850 0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.178 -5.029 1.566 1.00 0.00 H new ATOM 1448 N ARG A 100 95.216 -4.555 3.074 1.00 0.00 N ATOM 1449 CA ARG A 100 95.623 -4.631 4.507 1.00 0.00 C ATOM 1450 C ARG A 100 96.205 -3.288 4.950 1.00 0.00 C ATOM 1451 O ARG A 100 95.667 -2.613 5.806 1.00 0.00 O ATOM 1452 CB ARG A 100 96.695 -5.724 4.553 1.00 0.00 C ATOM 1453 CG ARG A 100 97.391 -5.718 5.919 1.00 0.00 C ATOM 1454 CD ARG A 100 96.631 -6.628 6.888 1.00 0.00 C ATOM 1455 NE ARG A 100 97.078 -8.011 6.570 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.350 -8.292 6.488 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.197 -7.725 7.303 1.00 0.00 N ATOM 1458 NH2 ARG A 100 98.773 -9.140 5.592 1.00 0.00 N ATOM 0 H ARG A 100 95.754 -5.145 2.439 1.00 0.00 H new ATOM 0 HA ARG A 100 94.787 -4.854 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 100 96.241 -6.698 4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.427 -5.561 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 100 98.421 -6.060 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 100 97.431 -4.703 6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 100 96.855 -6.372 7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 100 95.554 -6.525 6.760 1.00 0.00 H new ATOM 0 HE ARG A 100 96.386 -8.744 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 100 98.865 -7.062 8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.191 -7.944 7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 100 98.110 -9.583 4.956 1.00 0.00 H new ATOM 0 HH22 ARG A 100 99.767 -9.360 5.527 1.00 0.00 H new ATOM 1472 N ASN A 101 97.302 -2.898 4.365 1.00 0.00 N ATOM 1473 CA ASN A 101 97.932 -1.600 4.736 1.00 0.00 C ATOM 1474 C ASN A 101 96.929 -0.458 4.561 1.00 0.00 C ATOM 1475 O ASN A 101 97.061 0.595 5.154 1.00 0.00 O ATOM 1476 CB ASN A 101 99.096 -1.440 3.760 1.00 0.00 C ATOM 1477 CG ASN A 101 100.357 -2.060 4.352 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.355 -2.526 5.475 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.444 -2.086 3.636 1.00 0.00 N ATOM 0 H ASN A 101 97.792 -3.425 3.642 1.00 0.00 H new ATOM 0 HA ASN A 101 98.260 -1.579 5.775 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.855 -1.919 2.811 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.264 -0.384 3.550 1.00 0.00 H new ATOM 0 HD21 ASN A 101 102.296 -2.498 4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.444 -1.695 2.694 1.00 0.00 H new ATOM 1486 N ALA A 102 95.928 -0.659 3.751 1.00 0.00 N ATOM 1487 CA ALA A 102 94.915 0.413 3.532 1.00 0.00 C ATOM 1488 C ALA A 102 94.004 0.537 4.756 1.00 0.00 C ATOM 1489 O ALA A 102 93.853 1.599 5.325 1.00 0.00 O ATOM 1490 CB ALA A 102 94.116 -0.042 2.311 1.00 0.00 C ATOM 0 H ALA A 102 95.766 -1.521 3.230 1.00 0.00 H new ATOM 0 HA ALA A 102 95.373 1.390 3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.347 0.696 2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.785 -0.144 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.646 -1.003 2.521 1.00 0.00 H new ATOM 1496 N ALA A 103 93.395 -0.542 5.166 1.00 0.00 N ATOM 1497 CA ALA A 103 92.496 -0.482 6.354 1.00 0.00 C ATOM 1498 C ALA A 103 93.305 -0.142 7.608 1.00 0.00 C ATOM 1499 O ALA A 103 92.849 0.573 8.479 1.00 0.00 O ATOM 1500 CB ALA A 103 91.894 -1.883 6.465 1.00 0.00 C ATOM 0 H ALA A 103 93.481 -1.461 4.731 1.00 0.00 H new ATOM 0 HA ALA A 103 91.727 0.284 6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.218 -1.922 7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.342 -2.115 5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.692 -2.612 6.601 1.00 0.00 H new ATOM 1506 N ILE A 104 94.505 -0.644 7.702 1.00 0.00 N ATOM 1507 CA ILE A 104 95.346 -0.346 8.897 1.00 0.00 C ATOM 1508 C ILE A 104 95.707 1.140 8.923 1.00 0.00 C ATOM 1509 O ILE A 104 95.841 1.741 9.972 1.00 0.00 O ATOM 1510 CB ILE A 104 96.603 -1.197 8.718 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.245 -2.679 8.856 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.630 -0.821 9.786 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.509 -3.528 8.689 1.00 0.00 C ATOM 0 H ILE A 104 94.940 -1.247 7.004 1.00 0.00 H new ATOM 0 HA ILE A 104 94.833 -0.569 9.832 1.00 0.00 H new ATOM 0 HB ILE A 104 97.023 -1.016 7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 104 95.795 -2.866 9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.506 -2.957 8.105 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.526 -1.428 9.658 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.888 0.233 9.687 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.208 -1.000 10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.254 -4.583 8.787 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.940 -3.349 7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.234 -3.257 9.457 1.00 0.00 H new ATOM 1525 N CYS A 105 95.863 1.739 7.775 1.00 0.00 N ATOM 1526 CA CYS A 105 96.216 3.185 7.731 1.00 0.00 C ATOM 1527 C CYS A 105 95.076 4.014 8.323 1.00 0.00 C ATOM 1528 O CYS A 105 95.290 4.892 9.137 1.00 0.00 O ATOM 1529 CB CYS A 105 96.398 3.501 6.246 1.00 0.00 C ATOM 1530 SG CYS A 105 97.393 5.001 6.063 1.00 0.00 S ATOM 0 H CYS A 105 95.761 1.289 6.865 1.00 0.00 H new ATOM 0 HA CYS A 105 97.113 3.416 8.306 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.885 2.666 5.743 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.426 3.637 5.771 1.00 0.00 H new ATOM 1535 N PHE A 106 93.864 3.742 7.925 1.00 0.00 N ATOM 1536 CA PHE A 106 92.717 4.508 8.468 1.00 0.00 C ATOM 1537 C PHE A 106 92.730 4.442 9.993 1.00 0.00 C ATOM 1538 O PHE A 106 92.443 5.406 10.675 1.00 0.00 O ATOM 1539 CB PHE A 106 91.472 3.809 7.918 1.00 0.00 C ATOM 1540 CG PHE A 106 91.470 3.867 6.409 1.00 0.00 C ATOM 1541 CD1 PHE A 106 91.973 4.994 5.747 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.962 2.790 5.672 1.00 0.00 C ATOM 1543 CE1 PHE A 106 91.964 5.044 4.348 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.956 2.841 4.273 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.457 3.968 3.611 1.00 0.00 C ATOM 0 H PHE A 106 93.622 3.020 7.246 1.00 0.00 H new ATOM 0 HA PHE A 106 92.749 5.560 8.185 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.451 2.771 8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.574 4.287 8.310 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.367 5.824 6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.575 1.921 6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.349 5.914 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 106 90.565 2.010 3.704 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.452 4.007 2.532 1.00 0.00 H new ATOM 1555 N SER A 107 93.059 3.301 10.529 1.00 0.00 N ATOM 1556 CA SER A 107 93.092 3.148 12.012 1.00 0.00 C ATOM 1557 C SER A 107 94.415 3.677 12.577 1.00 0.00 C ATOM 1558 O SER A 107 94.612 3.725 13.775 1.00 0.00 O ATOM 1559 CB SER A 107 92.966 1.644 12.254 1.00 0.00 C ATOM 1560 OG SER A 107 94.193 1.010 11.916 1.00 0.00 O ATOM 0 H SER A 107 93.308 2.463 10.003 1.00 0.00 H new ATOM 0 HA SER A 107 92.297 3.710 12.502 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.719 1.451 13.298 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.154 1.234 11.654 1.00 0.00 H new ATOM 0 HG SER A 107 94.590 1.458 11.140 1.00 0.00 H new ATOM 1566 N LYS A 108 95.322 4.075 11.727 1.00 0.00 N ATOM 1567 CA LYS A 108 96.628 4.599 12.224 1.00 0.00 C ATOM 1568 C LYS A 108 96.625 6.131 12.204 1.00 0.00 C ATOM 1569 O LYS A 108 97.543 6.769 12.678 1.00 0.00 O ATOM 1570 CB LYS A 108 97.672 4.054 11.250 1.00 0.00 C ATOM 1571 CG LYS A 108 98.010 2.608 11.618 1.00 0.00 C ATOM 1572 CD LYS A 108 99.396 2.554 12.266 1.00 0.00 C ATOM 1573 CE LYS A 108 99.505 1.299 13.136 1.00 0.00 C ATOM 1574 NZ LYS A 108 100.749 1.490 13.930 1.00 0.00 N ATOM 0 H LYS A 108 95.217 4.061 10.713 1.00 0.00 H new ATOM 0 HA LYS A 108 96.830 4.294 13.251 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.292 4.101 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.572 4.669 11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.261 2.212 12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.989 1.981 10.727 1.00 0.00 H new ATOM 0 HD2 LYS A 108 100.168 2.544 11.497 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.561 3.445 12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 108 98.635 1.191 13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 108 99.561 0.398 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 100.893 0.669 14.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 101.561 1.583 13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 100.664 2.351 14.507 1.00 0.00 H new ATOM 1588 N VAL A 109 95.598 6.724 11.659 1.00 0.00 N ATOM 1589 CA VAL A 109 95.533 8.213 11.608 1.00 0.00 C ATOM 1590 C VAL A 109 94.162 8.698 12.086 1.00 0.00 C ATOM 1591 O VAL A 109 93.229 7.924 12.179 1.00 0.00 O ATOM 1592 CB VAL A 109 95.744 8.565 10.136 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.948 7.796 9.592 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.493 8.188 9.338 1.00 0.00 C ATOM 0 H VAL A 109 94.800 6.241 11.246 1.00 0.00 H new ATOM 0 HA VAL A 109 96.277 8.683 12.251 1.00 0.00 H new ATOM 0 HB VAL A 109 95.927 9.635 10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 109 97.097 8.048 8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.839 8.065 10.160 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.768 6.725 9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.642 8.439 8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.310 7.118 9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.635 8.739 9.724 1.00 0.00 H new ATOM 1604 N PRO A 110 94.087 9.970 12.374 1.00 0.00 N ATOM 1605 CA PRO A 110 92.815 10.570 12.847 1.00 0.00 C ATOM 1606 C PRO A 110 91.806 10.657 11.699 1.00 0.00 C ATOM 1607 O PRO A 110 92.108 10.337 10.566 1.00 0.00 O ATOM 1608 CB PRO A 110 93.229 11.962 13.316 1.00 0.00 C ATOM 1609 CG PRO A 110 94.476 12.272 12.550 1.00 0.00 C ATOM 1610 CD PRO A 110 95.167 10.959 12.287 1.00 0.00 C ATOM 0 HA PRO A 110 92.331 9.988 13.632 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.448 12.695 13.113 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.411 11.979 14.391 1.00 0.00 H new ATOM 0 HG2 PRO A 110 94.238 12.777 11.614 1.00 0.00 H new ATOM 0 HG3 PRO A 110 95.122 12.941 13.118 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.642 10.947 11.306 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.948 10.764 13.022 1.00 0.00 H new ATOM 1618 N TYR A 111 90.607 11.088 11.984 1.00 0.00 N ATOM 1619 CA TYR A 111 89.579 11.195 10.910 1.00 0.00 C ATOM 1620 C TYR A 111 88.820 12.519 11.037 1.00 0.00 C ATOM 1621 O TYR A 111 87.967 12.677 11.888 1.00 0.00 O ATOM 1622 CB TYR A 111 88.641 10.008 11.143 1.00 0.00 C ATOM 1623 CG TYR A 111 87.336 10.236 10.416 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.319 10.342 9.020 1.00 0.00 C ATOM 1625 CD2 TYR A 111 86.142 10.341 11.140 1.00 0.00 C ATOM 1626 CE1 TYR A 111 86.109 10.555 8.349 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.932 10.553 10.469 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.916 10.660 9.072 1.00 0.00 C ATOM 1629 OH TYR A 111 83.723 10.868 8.410 1.00 0.00 O ATOM 0 H TYR A 111 90.295 11.370 12.913 1.00 0.00 H new ATOM 0 HA TYR A 111 90.016 11.177 9.912 1.00 0.00 H new ATOM 0 HB2 TYR A 111 89.108 9.089 10.790 1.00 0.00 H new ATOM 0 HB3 TYR A 111 88.456 9.883 12.210 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.239 10.259 8.461 1.00 0.00 H new ATOM 0 HD2 TYR A 111 86.155 10.258 12.217 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.097 10.638 7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 111 84.011 10.634 11.028 1.00 0.00 H new ATOM 0 HH TYR A 111 83.090 10.158 8.646 1.00 0.00 H new ATOM 1639 N ASN A 112 89.123 13.470 10.196 1.00 0.00 N ATOM 1640 CA ASN A 112 88.417 14.780 10.267 1.00 0.00 C ATOM 1641 C ASN A 112 87.076 14.692 9.534 1.00 0.00 C ATOM 1642 O ASN A 112 87.019 14.668 8.321 1.00 0.00 O ATOM 1643 CB ASN A 112 89.350 15.770 9.571 1.00 0.00 C ATOM 1644 CG ASN A 112 90.384 16.288 10.572 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.189 17.317 11.188 1.00 0.00 O ATOM 1646 ND2 ASN A 112 91.484 15.612 10.763 1.00 0.00 N ATOM 0 H ASN A 112 89.829 13.396 9.463 1.00 0.00 H new ATOM 0 HA ASN A 112 88.200 15.081 11.292 1.00 0.00 H new ATOM 0 HB2 ASN A 112 89.851 15.286 8.733 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.776 16.601 9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 112 92.180 15.948 11.429 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.648 14.748 10.246 1.00 0.00 H new ATOM 1653 N LYS A 113 85.995 14.639 10.265 1.00 0.00 N ATOM 1654 CA LYS A 113 84.657 14.548 9.615 1.00 0.00 C ATOM 1655 C LYS A 113 84.413 15.765 8.720 1.00 0.00 C ATOM 1656 O LYS A 113 83.726 15.685 7.721 1.00 0.00 O ATOM 1657 CB LYS A 113 83.659 14.526 10.774 1.00 0.00 C ATOM 1658 CG LYS A 113 82.638 13.411 10.545 1.00 0.00 C ATOM 1659 CD LYS A 113 81.274 13.851 11.078 1.00 0.00 C ATOM 1660 CE LYS A 113 80.641 12.703 11.870 1.00 0.00 C ATOM 1661 NZ LYS A 113 79.601 12.136 10.966 1.00 0.00 N ATOM 0 H LYS A 113 85.981 14.655 11.285 1.00 0.00 H new ATOM 0 HA LYS A 113 84.567 13.668 8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 113 84.183 14.366 11.716 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.152 15.488 10.850 1.00 0.00 H new ATOM 0 HG2 LYS A 113 82.568 13.180 9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 113 82.960 12.499 11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 113 81.386 14.728 11.715 1.00 0.00 H new ATOM 0 HD3 LYS A 113 80.624 14.139 10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 113 81.384 11.951 12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 113 80.202 13.061 12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 79.123 11.343 11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 78.904 12.872 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 80.049 11.796 10.091 1.00 0.00 H new ATOM 1675 N GLU A 114 84.967 16.894 9.070 1.00 0.00 N ATOM 1676 CA GLU A 114 84.762 18.110 8.241 1.00 0.00 C ATOM 1677 C GLU A 114 85.362 17.911 6.849 1.00 0.00 C ATOM 1678 O GLU A 114 84.946 18.528 5.888 1.00 0.00 O ATOM 1679 CB GLU A 114 85.493 19.228 8.987 1.00 0.00 C ATOM 1680 CG GLU A 114 86.980 18.885 9.089 1.00 0.00 C ATOM 1681 CD GLU A 114 87.678 19.900 9.997 1.00 0.00 C ATOM 1682 OE1 GLU A 114 87.418 19.877 11.188 1.00 0.00 O ATOM 1683 OE2 GLU A 114 88.458 20.684 9.483 1.00 0.00 O ATOM 0 H GLU A 114 85.553 17.024 9.895 1.00 0.00 H new ATOM 0 HA GLU A 114 83.706 18.338 8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.362 20.175 8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 114 85.068 19.353 9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 114 87.105 17.878 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 114 87.435 18.894 8.098 1.00 0.00 H new ATOM 1690 N HIS A 115 86.338 17.055 6.735 1.00 0.00 N ATOM 1691 CA HIS A 115 86.971 16.812 5.408 1.00 0.00 C ATOM 1692 C HIS A 115 86.146 15.808 4.601 1.00 0.00 C ATOM 1693 O HIS A 115 86.482 15.470 3.482 1.00 0.00 O ATOM 1694 CB HIS A 115 88.349 16.234 5.736 1.00 0.00 C ATOM 1695 CG HIS A 115 89.324 17.357 5.965 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.326 18.504 5.186 1.00 0.00 N ATOM 1697 CD2 HIS A 115 90.331 17.526 6.882 1.00 0.00 C ATOM 1698 CE1 HIS A 115 90.305 19.304 5.645 1.00 0.00 C ATOM 1699 NE2 HIS A 115 90.950 18.756 6.678 1.00 0.00 N ATOM 0 H HIS A 115 86.726 16.511 7.506 1.00 0.00 H new ATOM 0 HA HIS A 115 87.037 17.719 4.807 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.289 15.604 6.624 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.693 15.601 4.918 1.00 0.00 H new ATOM 0 HD2 HIS A 115 90.602 16.813 7.646 1.00 0.00 H new ATOM 0 HE1 HIS A 115 90.541 20.272 5.229 1.00 0.00 H new ATOM 0 HE2 HIS A 115 91.728 19.153 7.204 1.00 0.00 H new ATOM 1707 N LYS A 116 85.070 15.324 5.159 1.00 0.00 N ATOM 1708 CA LYS A 116 84.227 14.344 4.433 1.00 0.00 C ATOM 1709 C LYS A 116 83.463 15.028 3.295 1.00 0.00 C ATOM 1710 O LYS A 116 83.143 16.198 3.364 1.00 0.00 O ATOM 1711 CB LYS A 116 83.264 13.835 5.498 1.00 0.00 C ATOM 1712 CG LYS A 116 82.879 12.396 5.187 1.00 0.00 C ATOM 1713 CD LYS A 116 81.394 12.333 4.832 1.00 0.00 C ATOM 1714 CE LYS A 116 80.736 11.188 5.605 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.276 11.488 5.575 1.00 0.00 N ATOM 0 H LYS A 116 84.740 15.570 6.092 1.00 0.00 H new ATOM 0 HA LYS A 116 84.808 13.545 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.729 13.894 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.373 14.463 5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 116 83.479 12.019 4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.086 11.759 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 116 80.910 13.278 5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 116 81.271 12.181 3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 116 80.950 10.225 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 116 81.107 11.139 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 78.758 10.745 6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 79.101 12.407 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 78.949 11.522 4.588 1.00 0.00 H new ATOM 1729 N ASN A 117 83.166 14.302 2.251 1.00 0.00 N ATOM 1730 CA ASN A 117 82.417 14.903 1.110 1.00 0.00 C ATOM 1731 C ASN A 117 82.969 16.291 0.773 1.00 0.00 C ATOM 1732 O ASN A 117 82.253 17.272 0.788 1.00 0.00 O ATOM 1733 CB ASN A 117 80.974 15.010 1.602 1.00 0.00 C ATOM 1734 CG ASN A 117 80.329 13.624 1.609 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.685 12.771 0.821 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.387 13.363 2.472 1.00 0.00 N ATOM 0 H ASN A 117 83.410 13.318 2.139 1.00 0.00 H new ATOM 0 HA ASN A 117 82.502 14.303 0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.952 15.437 2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.408 15.682 0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 117 78.949 12.442 2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 117 79.088 14.080 3.133 1.00 0.00 H new ATOM 1743 N LEU A 118 84.235 16.385 0.472 1.00 0.00 N ATOM 1744 CA LEU A 118 84.830 17.682 0.143 1.00 0.00 C ATOM 1745 C LEU A 118 84.703 17.941 -1.361 1.00 0.00 C ATOM 1746 O LEU A 118 84.333 17.075 -2.127 1.00 0.00 O ATOM 1747 CB LEU A 118 86.280 17.501 0.572 1.00 0.00 C ATOM 1748 CG LEU A 118 87.183 18.482 -0.147 1.00 0.00 C ATOM 1749 CD1 LEU A 118 86.962 19.895 0.403 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.644 18.079 0.067 1.00 0.00 C ATOM 0 H LEU A 118 84.882 15.597 0.443 1.00 0.00 H new ATOM 0 HA LEU A 118 84.357 18.535 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.365 17.644 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.602 16.481 0.360 1.00 0.00 H new ATOM 0 HG LEU A 118 86.949 18.470 -1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.615 20.595 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 118 85.923 20.186 0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.191 19.911 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.295 18.784 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 118 88.872 18.089 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.807 17.077 -0.330 1.00 0.00 H new ATOM 1762 N ASP A 119 85.006 19.130 -1.779 1.00 0.00 N ATOM 1763 CA ASP A 119 84.910 19.475 -3.228 1.00 0.00 C ATOM 1764 C ASP A 119 86.271 19.322 -3.909 1.00 0.00 C ATOM 1765 O ASP A 119 87.284 19.755 -3.396 1.00 0.00 O ATOM 1766 CB ASP A 119 84.466 20.938 -3.252 1.00 0.00 C ATOM 1767 CG ASP A 119 84.255 21.388 -4.699 1.00 0.00 C ATOM 1768 OD1 ASP A 119 84.381 20.556 -5.582 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.972 22.558 -4.899 1.00 0.00 O ATOM 0 H ASP A 119 85.320 19.891 -1.177 1.00 0.00 H new ATOM 0 HA ASP A 119 84.218 18.822 -3.760 1.00 0.00 H new ATOM 0 HB2 ASP A 119 83.543 21.057 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.218 21.564 -2.772 1.00 0.00 H new ATOM 1774 N LYS A 120 86.304 18.717 -5.066 1.00 0.00 N ATOM 1775 CA LYS A 120 87.597 18.549 -5.782 1.00 0.00 C ATOM 1776 C LYS A 120 88.272 19.912 -5.951 1.00 0.00 C ATOM 1777 O LYS A 120 89.457 20.007 -6.198 1.00 0.00 O ATOM 1778 CB LYS A 120 87.228 17.962 -7.145 1.00 0.00 C ATOM 1779 CG LYS A 120 87.182 16.436 -7.056 1.00 0.00 C ATOM 1780 CD LYS A 120 86.564 15.872 -8.337 1.00 0.00 C ATOM 1781 CE LYS A 120 85.077 15.581 -8.107 1.00 0.00 C ATOM 1782 NZ LYS A 120 84.751 14.467 -9.044 1.00 0.00 N ATOM 0 H LYS A 120 85.490 18.332 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 120 88.292 17.906 -5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 120 86.260 18.346 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 120 87.958 18.270 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 120 88.187 16.038 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 120 86.596 16.128 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 120 86.683 16.584 -9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 120 87.082 14.959 -8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 120 84.886 15.295 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.467 16.460 -8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 83.748 14.212 -8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 84.936 14.770 -10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 85.342 13.641 -8.820 1.00 0.00 H new ATOM 1796 N LYS A 121 87.516 20.968 -5.823 1.00 0.00 N ATOM 1797 CA LYS A 121 88.095 22.335 -5.978 1.00 0.00 C ATOM 1798 C LYS A 121 89.149 22.600 -4.912 1.00 0.00 C ATOM 1799 O LYS A 121 89.921 23.534 -4.994 1.00 0.00 O ATOM 1800 CB LYS A 121 86.918 23.276 -5.786 1.00 0.00 C ATOM 1801 CG LYS A 121 86.383 23.692 -7.148 1.00 0.00 C ATOM 1802 CD LYS A 121 85.778 22.474 -7.850 1.00 0.00 C ATOM 1803 CE LYS A 121 84.957 22.932 -9.057 1.00 0.00 C ATOM 1804 NZ LYS A 121 83.667 22.195 -8.943 1.00 0.00 N ATOM 0 H LYS A 121 86.517 20.944 -5.617 1.00 0.00 H new ATOM 0 HA LYS A 121 88.583 22.462 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.135 22.785 -5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.228 24.154 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 121 85.629 24.471 -7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 121 87.186 24.113 -7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 121 86.569 21.797 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 121 85.146 21.919 -7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 121 84.799 24.010 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 121 85.465 22.698 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 83.047 22.455 -9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 83.849 21.171 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 83.203 22.443 -8.046 1.00 0.00 H new ATOM 1818 N ASN A 122 89.198 21.763 -3.930 1.00 0.00 N ATOM 1819 CA ASN A 122 90.214 21.922 -2.858 1.00 0.00 C ATOM 1820 C ASN A 122 91.412 21.060 -3.213 1.00 0.00 C ATOM 1821 O ASN A 122 92.465 21.130 -2.609 1.00 0.00 O ATOM 1822 CB ASN A 122 89.537 21.391 -1.601 1.00 0.00 C ATOM 1823 CG ASN A 122 88.826 22.532 -0.874 1.00 0.00 C ATOM 1824 OD1 ASN A 122 89.434 23.251 -0.106 1.00 0.00 O ATOM 1825 ND2 ASN A 122 87.553 22.730 -1.084 1.00 0.00 N ATOM 0 H ASN A 122 88.573 20.965 -3.817 1.00 0.00 H new ATOM 0 HA ASN A 122 90.554 22.949 -2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.820 20.613 -1.864 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.277 20.934 -0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 122 87.069 23.488 -0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.043 22.127 -1.729 1.00 0.00 H new ATOM 1832 N CYS A 123 91.232 20.237 -4.197 1.00 0.00 N ATOM 1833 CA CYS A 123 92.310 19.328 -4.644 1.00 0.00 C ATOM 1834 C CYS A 123 93.039 19.916 -5.855 1.00 0.00 C ATOM 1835 O CYS A 123 94.212 19.624 -6.014 1.00 0.00 O ATOM 1836 CB CYS A 123 91.562 18.056 -5.021 1.00 0.00 C ATOM 1837 SG CYS A 123 91.480 16.954 -3.589 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.410 20.648 -6.601 1.00 0.00 O ATOM 0 H CYS A 123 90.362 20.154 -4.723 1.00 0.00 H new ATOM 0 HA CYS A 123 93.075 19.160 -3.886 1.00 0.00 H new ATOM 0 HB2 CYS A 123 90.556 18.301 -5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 123 92.067 17.557 -5.848 1.00 0.00 H new