USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=25 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 24 ASN : amide:sc= 0.169 K(o=0.35,f=-0.93) USER MOD Set 1.2: A 117 ASN : amide:sc= 0.179 K(o=0.35,f=-0.93) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= -0.286 USER MOD Set 2.2: A 115 HIS :FLIP no HD1:sc= -1.13 F(o=-2.7!,f=-1.4) USER MOD Set 3.1: A 28 TYR OH : rot 122:sc= 1.31 USER MOD Set 3.2: A 46 GLN : amide:sc= -3.81! C(o=-2.5!,f=-5.7!) USER MOD Set 4.1: A 8 MET CE :methyl 168:sc= -2.38 (180deg=-2.61) USER MOD Set 4.2: A 73 TYR OH : rot -140:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.82 X(o=-1.8,f=-2.2!) USER MOD Single : A 6 ASN : amide:sc= -4.56! C(o=-4.6!,f=-6.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.386) USER MOD Single : A 15 SER OG : rot 180:sc=-0.00424 USER MOD Single : A 16 SER OG : rot -170:sc= 0.0631 USER MOD Single : A 23 ASN :FLIP amide:sc= 0.51 F(o=-0.59,f=0.51) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 83:sc= 1.01 USER MOD Single : A 48 HIS : no HD1:sc= -2.85 K(o=-2.9,f=-5.6!) USER MOD Single : A 50 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.1!) USER MOD Single : A 52 TYR OH : rot 60:sc= 0.807 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.661 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 -67:sc= 0.861 USER MOD Single : A 71 ASN : amide:sc= -0.136 K(o=-0.14,f=-2.4!) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot -84:sc= 0.0595 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 73:sc= 0.708 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.311 F(o=-1.1,f=-0.31) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 165:sc= -0.807 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -2.14! C(o=-2.1!,f=-4.1!) USER MOD Single : A 89 ASN : amide:sc= -1.73 K(o=-1.7,f=-14!) USER MOD Single : A 97 ASN : amide:sc= -0.514 K(o=-0.51,f=-4.8!) USER MOD Single : A 101 ASN : amide:sc= -0.125 K(o=-0.13,f=-2.5!) USER MOD Single : A 107 SER OG : rot -47:sc= 0.89 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 TYR OH : rot 115:sc= -1.77! 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 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= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 84.636 -5.303 -4.591 1.00 0.00 N ATOM 14 CA LEU A 2 85.299 -4.206 -3.831 1.00 0.00 C ATOM 15 C LEU A 2 84.794 -4.182 -2.388 1.00 0.00 C ATOM 16 O LEU A 2 85.406 -3.598 -1.516 1.00 0.00 O ATOM 17 CB LEU A 2 84.908 -2.921 -4.563 1.00 0.00 C ATOM 18 CG LEU A 2 85.761 -2.777 -5.823 1.00 0.00 C ATOM 19 CD1 LEU A 2 85.016 -3.380 -7.016 1.00 0.00 C ATOM 20 CD2 LEU A 2 86.031 -1.296 -6.091 1.00 0.00 C ATOM 0 HA LEU A 2 86.381 -4.331 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.851 -2.947 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 2 85.053 -2.059 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 2 86.707 -3.300 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 2 85.624 -3.277 -7.915 1.00 0.00 H new ATOM 0 HD12 LEU A 2 84.822 -4.436 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 2 84.070 -2.857 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 2 86.639 -1.194 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 2 85.085 -0.773 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 2 86.561 -0.864 -5.243 1.00 0.00 H new ATOM 32 N TRP A 3 83.686 -4.820 -2.128 1.00 0.00 N ATOM 33 CA TRP A 3 83.153 -4.838 -0.737 1.00 0.00 C ATOM 34 C TRP A 3 84.169 -5.500 0.195 1.00 0.00 C ATOM 35 O TRP A 3 84.131 -5.327 1.397 1.00 0.00 O ATOM 36 CB TRP A 3 81.867 -5.664 -0.811 1.00 0.00 C ATOM 37 CG TRP A 3 82.207 -7.098 -1.063 1.00 0.00 C ATOM 38 CD1 TRP A 3 82.338 -7.660 -2.285 1.00 0.00 C ATOM 39 CD2 TRP A 3 82.460 -8.157 -0.094 1.00 0.00 C ATOM 40 NE1 TRP A 3 82.654 -8.997 -2.129 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.741 -9.352 -0.799 1.00 0.00 C ATOM 42 CE3 TRP A 3 82.471 -8.198 1.312 1.00 0.00 C ATOM 43 CZ2 TRP A 3 83.025 -10.544 -0.133 1.00 0.00 C ATOM 44 CZ3 TRP A 3 82.756 -9.397 1.986 1.00 0.00 C ATOM 45 CH2 TRP A 3 83.033 -10.568 1.264 1.00 0.00 C ATOM 0 H TRP A 3 83.129 -5.327 -2.815 1.00 0.00 H new ATOM 0 HA TRP A 3 82.964 -3.837 -0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 3 81.308 -5.570 0.120 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.225 -5.286 -1.607 1.00 0.00 H new ATOM 0 HD1 TRP A 3 82.216 -7.149 -3.228 1.00 0.00 H new ATOM 0 HE1 TRP A 3 82.805 -9.643 -2.904 1.00 0.00 H new ATOM 0 HE3 TRP A 3 82.259 -7.302 1.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 83.237 -11.443 -0.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 82.762 -9.418 3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 3 83.252 -11.487 1.788 1.00 0.00 H new ATOM 56 N GLN A 4 85.084 -6.251 -0.356 1.00 0.00 N ATOM 57 CA GLN A 4 86.112 -6.918 0.491 1.00 0.00 C ATOM 58 C GLN A 4 87.011 -5.864 1.134 1.00 0.00 C ATOM 59 O GLN A 4 87.245 -5.876 2.327 1.00 0.00 O ATOM 60 CB GLN A 4 86.914 -7.796 -0.472 1.00 0.00 C ATOM 61 CG GLN A 4 85.978 -8.805 -1.140 1.00 0.00 C ATOM 62 CD GLN A 4 86.698 -9.479 -2.309 1.00 0.00 C ATOM 63 OE1 GLN A 4 86.728 -10.691 -2.403 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.285 -8.742 -3.212 1.00 0.00 N ATOM 0 H GLN A 4 85.163 -6.431 -1.357 1.00 0.00 H new ATOM 0 HA GLN A 4 85.673 -7.504 1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 4 87.399 -7.177 -1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 4 87.704 -8.318 0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 4 85.659 -9.555 -0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 4 85.079 -8.302 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 4 87.261 -7.725 -3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.768 -9.183 -3.995 1.00 0.00 H new ATOM 73 N PHE A 5 87.509 -4.943 0.354 1.00 0.00 N ATOM 74 CA PHE A 5 88.385 -3.880 0.926 1.00 0.00 C ATOM 75 C PHE A 5 87.701 -3.254 2.142 1.00 0.00 C ATOM 76 O PHE A 5 88.312 -3.033 3.169 1.00 0.00 O ATOM 77 CB PHE A 5 88.544 -2.848 -0.190 1.00 0.00 C ATOM 78 CG PHE A 5 89.168 -1.591 0.372 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.070 -1.676 1.439 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.845 -0.344 -0.176 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.648 -0.512 1.961 1.00 0.00 C ATOM 82 CE2 PHE A 5 89.423 0.820 0.346 1.00 0.00 C ATOM 83 CZ PHE A 5 90.324 0.736 1.414 1.00 0.00 C ATOM 0 H PHE A 5 87.348 -4.880 -0.651 1.00 0.00 H new ATOM 0 HA PHE A 5 89.350 -4.266 1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 5 89.168 -3.252 -0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.573 -2.620 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.320 -2.639 1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 5 88.151 -0.280 -1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.343 -0.577 2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 5 89.174 1.783 -0.076 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.769 1.634 1.816 1.00 0.00 H new ATOM 93 N ASN A 6 86.430 -2.975 2.034 1.00 0.00 N ATOM 94 CA ASN A 6 85.696 -2.371 3.183 1.00 0.00 C ATOM 95 C ASN A 6 85.708 -3.337 4.372 1.00 0.00 C ATOM 96 O ASN A 6 85.704 -2.929 5.516 1.00 0.00 O ATOM 97 CB ASN A 6 84.268 -2.160 2.679 1.00 0.00 C ATOM 98 CG ASN A 6 84.102 -0.720 2.192 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.900 0.138 2.513 1.00 0.00 O ATOM 100 ND2 ASN A 6 83.092 -0.416 1.423 1.00 0.00 N ATOM 0 H ASN A 6 85.868 -3.139 1.199 1.00 0.00 H new ATOM 0 HA ASN A 6 86.147 -1.438 3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 6 84.051 -2.856 1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.556 -2.369 3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 6 82.973 0.541 1.092 1.00 0.00 H new ATOM 0 HD22 ASN A 6 82.422 -1.136 1.153 1.00 0.00 H new ATOM 107 N GLY A 7 85.723 -4.615 4.106 1.00 0.00 N ATOM 108 CA GLY A 7 85.737 -5.608 5.217 1.00 0.00 C ATOM 109 C GLY A 7 87.035 -5.464 6.012 1.00 0.00 C ATOM 110 O GLY A 7 87.041 -5.518 7.226 1.00 0.00 O ATOM 0 H GLY A 7 85.726 -5.014 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.879 -5.451 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.653 -6.619 4.817 1.00 0.00 H new ATOM 114 N MET A 8 88.136 -5.276 5.336 1.00 0.00 N ATOM 115 CA MET A 8 89.433 -5.124 6.054 1.00 0.00 C ATOM 116 C MET A 8 89.367 -3.924 7.002 1.00 0.00 C ATOM 117 O MET A 8 89.831 -3.981 8.123 1.00 0.00 O ATOM 118 CB MET A 8 90.470 -4.889 4.955 1.00 0.00 C ATOM 119 CG MET A 8 90.625 -6.164 4.123 1.00 0.00 C ATOM 120 SD MET A 8 92.369 -6.394 3.692 1.00 0.00 S ATOM 121 CE MET A 8 92.326 -8.195 3.517 1.00 0.00 C ATOM 0 H MET A 8 88.193 -5.221 4.319 1.00 0.00 H new ATOM 0 HA MET A 8 89.679 -5.996 6.660 1.00 0.00 H new ATOM 0 HB2 MET A 8 90.160 -4.061 4.318 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.427 -4.611 5.396 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.262 -7.024 4.685 1.00 0.00 H new ATOM 0 HG3 MET A 8 90.021 -6.096 3.218 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.248 -8.537 3.046 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.229 -8.654 4.501 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.475 -8.480 2.898 1.00 0.00 H new ATOM 131 N ILE A 9 88.789 -2.839 6.562 1.00 0.00 N ATOM 132 CA ILE A 9 88.688 -1.640 7.442 1.00 0.00 C ATOM 133 C ILE A 9 87.712 -1.917 8.588 1.00 0.00 C ATOM 134 O ILE A 9 87.734 -1.261 9.611 1.00 0.00 O ATOM 135 CB ILE A 9 88.151 -0.527 6.542 1.00 0.00 C ATOM 136 CG1 ILE A 9 89.072 -0.363 5.330 1.00 0.00 C ATOM 137 CG2 ILE A 9 88.103 0.785 7.327 1.00 0.00 C ATOM 138 CD1 ILE A 9 88.351 0.443 4.249 1.00 0.00 C ATOM 0 H ILE A 9 88.383 -2.731 5.633 1.00 0.00 H new ATOM 0 HA ILE A 9 89.645 -1.373 7.889 1.00 0.00 H new ATOM 0 HB ILE A 9 87.147 -0.785 6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.991 0.143 5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 9 89.357 -1.341 4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 9 87.720 1.579 6.686 1.00 0.00 H new ATOM 0 HG22 ILE A 9 87.448 0.669 8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 9 89.106 1.044 7.665 1.00 0.00 H new ATOM 0 HD11 ILE A 9 89.006 0.561 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 9 87.444 -0.082 3.948 1.00 0.00 H new ATOM 0 HD13 ILE A 9 88.089 1.425 4.642 1.00 0.00 H new ATOM 150 N LYS A 10 86.854 -2.887 8.423 1.00 0.00 N ATOM 151 CA LYS A 10 85.876 -3.211 9.500 1.00 0.00 C ATOM 152 C LYS A 10 86.564 -3.996 10.620 1.00 0.00 C ATOM 153 O LYS A 10 86.298 -3.795 11.788 1.00 0.00 O ATOM 154 CB LYS A 10 84.811 -4.071 8.819 1.00 0.00 C ATOM 155 CG LYS A 10 83.886 -3.180 7.989 1.00 0.00 C ATOM 156 CD LYS A 10 82.469 -3.238 8.565 1.00 0.00 C ATOM 157 CE LYS A 10 81.574 -4.069 7.642 1.00 0.00 C ATOM 158 NZ LYS A 10 80.526 -4.639 8.533 1.00 0.00 N ATOM 0 H LYS A 10 86.788 -3.469 7.588 1.00 0.00 H new ATOM 0 HA LYS A 10 85.450 -2.317 9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 10 85.285 -4.816 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.234 -4.614 9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 10 84.251 -2.153 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 10 83.882 -3.510 6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 10 82.488 -3.678 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 10 82.066 -2.231 8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.133 -3.452 6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 10 82.141 -4.856 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 79.873 -5.222 7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 80.974 -5.227 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 79.998 -3.866 8.986 1.00 0.00 H new ATOM 172 N CYS A 11 87.447 -4.893 10.270 1.00 0.00 N ATOM 173 CA CYS A 11 88.151 -5.691 11.305 1.00 0.00 C ATOM 174 C CYS A 11 88.992 -4.775 12.193 1.00 0.00 C ATOM 175 O CYS A 11 88.943 -4.846 13.404 1.00 0.00 O ATOM 176 CB CYS A 11 89.049 -6.645 10.519 1.00 0.00 C ATOM 177 SG CYS A 11 89.799 -7.842 11.651 1.00 0.00 S ATOM 0 H CYS A 11 87.709 -5.105 9.307 1.00 0.00 H new ATOM 0 HA CYS A 11 87.461 -6.223 11.960 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.467 -7.164 9.758 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.826 -6.084 9.999 1.00 0.00 H new ATOM 182 N LYS A 12 89.760 -3.912 11.591 1.00 0.00 N ATOM 183 CA LYS A 12 90.609 -2.981 12.388 1.00 0.00 C ATOM 184 C LYS A 12 89.727 -1.993 13.154 1.00 0.00 C ATOM 185 O LYS A 12 90.014 -1.627 14.276 1.00 0.00 O ATOM 186 CB LYS A 12 91.467 -2.249 11.357 1.00 0.00 C ATOM 187 CG LYS A 12 92.580 -3.179 10.872 1.00 0.00 C ATOM 188 CD LYS A 12 93.935 -2.493 11.053 1.00 0.00 C ATOM 189 CE LYS A 12 94.617 -3.036 12.311 1.00 0.00 C ATOM 190 NZ LYS A 12 95.500 -4.133 11.826 1.00 0.00 N ATOM 0 H LYS A 12 89.838 -3.810 10.579 1.00 0.00 H new ATOM 0 HA LYS A 12 91.218 -3.502 13.126 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.852 -1.930 10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 12 91.896 -1.349 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 12 92.556 -4.114 11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 12 92.426 -3.431 9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.564 -2.670 10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 12 93.801 -1.414 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 12 95.192 -2.259 12.815 1.00 0.00 H new ATOM 0 HE3 LYS A 12 93.885 -3.406 13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.721 -4.775 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 95.015 -4.662 11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 96.382 -3.729 11.451 1.00 0.00 H new ATOM 204 N ILE A 13 88.649 -1.564 12.555 1.00 0.00 N ATOM 205 CA ILE A 13 87.741 -0.604 13.248 1.00 0.00 C ATOM 206 C ILE A 13 86.304 -1.130 13.218 1.00 0.00 C ATOM 207 O ILE A 13 85.523 -0.760 12.364 1.00 0.00 O ATOM 208 CB ILE A 13 87.855 0.697 12.453 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.304 1.188 12.481 1.00 0.00 C ATOM 210 CG2 ILE A 13 86.949 1.757 13.082 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.542 2.152 11.315 1.00 0.00 C ATOM 0 H ILE A 13 88.358 -1.836 11.616 1.00 0.00 H new ATOM 0 HA ILE A 13 88.008 -0.462 14.295 1.00 0.00 H new ATOM 0 HB ILE A 13 87.551 0.520 11.421 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.511 1.688 13.427 1.00 0.00 H new ATOM 0 HG13 ILE A 13 89.987 0.341 12.411 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.029 2.686 12.517 1.00 0.00 H new ATOM 0 HG22 ILE A 13 85.916 1.409 13.065 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.256 1.932 14.113 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.574 2.501 11.336 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.352 1.638 10.373 1.00 0.00 H new ATOM 0 HD13 ILE A 13 88.869 3.005 11.405 1.00 0.00 H new ATOM 223 N PRO A 14 86.009 -1.986 14.157 1.00 0.00 N ATOM 224 CA PRO A 14 84.655 -2.585 14.248 1.00 0.00 C ATOM 225 C PRO A 14 83.647 -1.555 14.769 1.00 0.00 C ATOM 226 O PRO A 14 82.507 -1.519 14.348 1.00 0.00 O ATOM 227 CB PRO A 14 84.835 -3.722 15.249 1.00 0.00 C ATOM 228 CG PRO A 14 86.012 -3.323 16.082 1.00 0.00 C ATOM 229 CD PRO A 14 86.903 -2.472 15.213 1.00 0.00 C ATOM 0 HA PRO A 14 84.271 -2.925 13.286 1.00 0.00 H new ATOM 0 HB2 PRO A 14 83.944 -3.852 15.862 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.014 -4.670 14.741 1.00 0.00 H new ATOM 0 HG2 PRO A 14 85.690 -2.768 16.963 1.00 0.00 H new ATOM 0 HG3 PRO A 14 86.548 -4.203 16.438 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.341 -1.648 15.776 1.00 0.00 H new ATOM 0 HD3 PRO A 14 87.730 -3.051 14.801 1.00 0.00 H new ATOM 237 N SER A 15 84.058 -0.721 15.685 1.00 0.00 N ATOM 238 CA SER A 15 83.126 0.304 16.238 1.00 0.00 C ATOM 239 C SER A 15 82.667 1.259 15.133 1.00 0.00 C ATOM 240 O SER A 15 81.573 1.787 15.172 1.00 0.00 O ATOM 241 CB SER A 15 83.945 1.053 17.290 1.00 0.00 C ATOM 242 OG SER A 15 85.003 1.752 16.649 1.00 0.00 O ATOM 0 H SER A 15 85.000 -0.705 16.075 1.00 0.00 H new ATOM 0 HA SER A 15 82.226 -0.142 16.661 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.309 1.751 17.834 1.00 0.00 H new ATOM 0 HB3 SER A 15 84.347 0.352 18.022 1.00 0.00 H new ATOM 0 HG SER A 15 85.530 2.235 17.320 1.00 0.00 H new ATOM 248 N SER A 16 83.494 1.487 14.150 1.00 0.00 N ATOM 249 CA SER A 16 83.103 2.409 13.045 1.00 0.00 C ATOM 250 C SER A 16 83.109 1.668 11.706 1.00 0.00 C ATOM 251 O SER A 16 84.030 0.939 11.393 1.00 0.00 O ATOM 252 CB SER A 16 84.164 3.508 13.054 1.00 0.00 C ATOM 253 OG SER A 16 83.538 4.762 13.296 1.00 0.00 O ATOM 0 H SER A 16 84.423 1.075 14.064 1.00 0.00 H new ATOM 0 HA SER A 16 82.098 2.810 13.179 1.00 0.00 H new ATOM 0 HB2 SER A 16 84.908 3.305 13.824 1.00 0.00 H new ATOM 0 HB3 SER A 16 84.691 3.529 12.100 1.00 0.00 H new ATOM 0 HG SER A 16 84.184 5.484 13.147 1.00 0.00 H new ATOM 259 N GLU A 17 82.089 1.849 10.913 1.00 0.00 N ATOM 260 CA GLU A 17 82.037 1.155 9.594 1.00 0.00 C ATOM 261 C GLU A 17 82.527 2.091 8.483 1.00 0.00 C ATOM 262 O GLU A 17 82.370 3.293 8.569 1.00 0.00 O ATOM 263 CB GLU A 17 80.562 0.804 9.389 1.00 0.00 C ATOM 264 CG GLU A 17 80.245 -0.506 10.114 1.00 0.00 C ATOM 265 CD GLU A 17 78.737 -0.764 10.069 1.00 0.00 C ATOM 266 OE1 GLU A 17 78.204 -0.850 8.975 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.143 -0.870 11.130 1.00 0.00 O ATOM 0 H GLU A 17 81.289 2.447 11.121 1.00 0.00 H new ATOM 0 HA GLU A 17 82.674 0.271 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.930 1.606 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 17 80.345 0.705 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 17 80.780 -1.332 9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 17 80.585 -0.453 11.148 1.00 0.00 H new ATOM 274 N PRO A 18 83.107 1.501 7.475 1.00 0.00 N ATOM 275 CA PRO A 18 83.627 2.285 6.327 1.00 0.00 C ATOM 276 C PRO A 18 82.470 2.831 5.489 1.00 0.00 C ATOM 277 O PRO A 18 82.549 3.907 4.929 1.00 0.00 O ATOM 278 CB PRO A 18 84.440 1.263 5.536 1.00 0.00 C ATOM 279 CG PRO A 18 83.850 -0.062 5.899 1.00 0.00 C ATOM 280 CD PRO A 18 83.328 0.061 7.306 1.00 0.00 C ATOM 0 HA PRO A 18 84.218 3.150 6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 18 84.369 1.446 4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 18 85.497 1.310 5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.047 -0.328 5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 18 84.601 -0.850 5.833 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.405 -0.503 7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 18 84.045 -0.321 8.033 1.00 0.00 H new ATOM 288 N LEU A 19 81.396 2.098 5.399 1.00 0.00 N ATOM 289 CA LEU A 19 80.233 2.576 4.600 1.00 0.00 C ATOM 290 C LEU A 19 79.434 3.609 5.398 1.00 0.00 C ATOM 291 O LEU A 19 78.617 4.328 4.858 1.00 0.00 O ATOM 292 CB LEU A 19 79.389 1.328 4.344 1.00 0.00 C ATOM 293 CG LEU A 19 79.414 0.994 2.853 1.00 0.00 C ATOM 294 CD1 LEU A 19 80.844 0.650 2.432 1.00 0.00 C ATOM 295 CD2 LEU A 19 78.500 -0.204 2.587 1.00 0.00 C ATOM 0 H LEU A 19 81.273 1.189 5.844 1.00 0.00 H new ATOM 0 HA LEU A 19 80.539 3.058 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 19 79.776 0.489 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.363 1.496 4.673 1.00 0.00 H new ATOM 0 HG LEU A 19 79.065 1.853 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 19 80.863 0.412 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 19 81.495 1.503 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 19 81.194 -0.210 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.516 -0.445 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.851 -1.063 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.482 0.041 2.888 1.00 0.00 H new ATOM 307 N LEU A 20 79.660 3.685 6.681 1.00 0.00 N ATOM 308 CA LEU A 20 78.909 4.670 7.512 1.00 0.00 C ATOM 309 C LEU A 20 79.882 5.635 8.197 1.00 0.00 C ATOM 310 O LEU A 20 79.491 6.459 8.998 1.00 0.00 O ATOM 311 CB LEU A 20 78.163 3.834 8.557 1.00 0.00 C ATOM 312 CG LEU A 20 77.611 2.559 7.912 1.00 0.00 C ATOM 313 CD1 LEU A 20 76.844 1.750 8.959 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.669 2.931 6.765 1.00 0.00 C ATOM 0 H LEU A 20 80.331 3.109 7.190 1.00 0.00 H new ATOM 0 HA LEU A 20 78.227 5.273 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 20 78.835 3.576 9.375 1.00 0.00 H new ATOM 0 HB3 LEU A 20 77.348 4.417 8.986 1.00 0.00 H new ATOM 0 HG LEU A 20 78.437 1.963 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.451 0.842 8.501 1.00 0.00 H new ATOM 0 HD12 LEU A 20 77.515 1.483 9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.019 2.347 9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 20 76.277 2.023 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 20 75.843 3.528 7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 20 77.215 3.507 6.018 1.00 0.00 H new ATOM 326 N ASP A 21 81.146 5.538 7.887 1.00 0.00 N ATOM 327 CA ASP A 21 82.139 6.452 8.520 1.00 0.00 C ATOM 328 C ASP A 21 83.184 6.893 7.492 1.00 0.00 C ATOM 329 O ASP A 21 83.449 8.067 7.327 1.00 0.00 O ATOM 330 CB ASP A 21 82.790 5.624 9.628 1.00 0.00 C ATOM 331 CG ASP A 21 83.332 6.560 10.710 1.00 0.00 C ATOM 332 OD1 ASP A 21 82.594 7.435 11.133 1.00 0.00 O ATOM 333 OD2 ASP A 21 84.477 6.387 11.097 1.00 0.00 O ATOM 0 H ASP A 21 81.534 4.867 7.224 1.00 0.00 H new ATOM 0 HA ASP A 21 81.676 7.359 8.909 1.00 0.00 H new ATOM 0 HB2 ASP A 21 82.062 4.936 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 21 83.598 5.018 9.218 1.00 0.00 H new ATOM 338 N PHE A 22 83.779 5.963 6.797 1.00 0.00 N ATOM 339 CA PHE A 22 84.802 6.334 5.777 1.00 0.00 C ATOM 340 C PHE A 22 84.180 6.312 4.378 1.00 0.00 C ATOM 341 O PHE A 22 84.690 5.684 3.470 1.00 0.00 O ATOM 342 CB PHE A 22 85.891 5.267 5.897 1.00 0.00 C ATOM 343 CG PHE A 22 86.556 5.371 7.249 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.222 6.548 7.615 1.00 0.00 C ATOM 345 CD2 PHE A 22 86.508 4.290 8.137 1.00 0.00 C ATOM 346 CE1 PHE A 22 87.840 6.642 8.867 1.00 0.00 C ATOM 347 CE2 PHE A 22 87.126 4.384 9.390 1.00 0.00 C ATOM 348 CZ PHE A 22 87.792 5.561 9.755 1.00 0.00 C ATOM 0 H PHE A 22 83.602 4.963 6.891 1.00 0.00 H new ATOM 0 HA PHE A 22 85.199 7.337 5.935 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.458 4.275 5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 22 86.630 5.397 5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 22 87.258 7.383 6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 22 85.994 3.383 7.856 1.00 0.00 H new ATOM 0 HE1 PHE A 22 88.354 7.549 9.148 1.00 0.00 H new ATOM 0 HE2 PHE A 22 87.089 3.550 10.075 1.00 0.00 H new ATOM 0 HZ PHE A 22 88.268 5.634 10.721 1.00 0.00 H new ATOM 358 N ASN A 23 83.079 6.990 4.199 1.00 0.00 N ATOM 359 CA ASN A 23 82.419 7.006 2.860 1.00 0.00 C ATOM 360 C ASN A 23 82.880 8.221 2.051 1.00 0.00 C ATOM 361 O ASN A 23 82.682 9.353 2.445 1.00 0.00 O ATOM 362 CB ASN A 23 80.924 7.101 3.157 1.00 0.00 C ATOM 363 CG ASN A 23 80.137 6.471 2.007 1.00 0.00 C ATOM 364 OD1 ASN A 23 80.327 6.903 0.789 1.00 0.00 O flip ATOM 365 ND2 ASN A 23 79.343 5.576 2.216 1.00 0.00 N flip ATOM 0 H ASN A 23 82.607 7.534 4.921 1.00 0.00 H new ATOM 0 HA ASN A 23 82.665 6.122 2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 23 80.695 6.590 4.092 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.633 8.144 3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.194 5.238 3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.825 5.162 1.441 1.00 0.00 H new ATOM 372 N ASN A 24 83.486 7.993 0.918 1.00 0.00 N ATOM 373 CA ASN A 24 83.955 9.132 0.077 1.00 0.00 C ATOM 374 C ASN A 24 84.578 10.224 0.951 1.00 0.00 C ATOM 375 O ASN A 24 83.909 11.133 1.400 1.00 0.00 O ATOM 376 CB ASN A 24 82.699 9.655 -0.622 1.00 0.00 C ATOM 377 CG ASN A 24 83.105 10.605 -1.749 1.00 0.00 C ATOM 378 OD1 ASN A 24 84.061 10.353 -2.455 1.00 0.00 O ATOM 379 ND2 ASN A 24 82.413 11.693 -1.952 1.00 0.00 N ATOM 0 H ASN A 24 83.677 7.066 0.537 1.00 0.00 H new ATOM 0 HA ASN A 24 84.721 8.826 -0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 24 82.119 8.824 -1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 24 82.060 10.173 0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 24 82.675 12.331 -2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 24 81.610 11.905 -1.359 1.00 0.00 H new ATOM 386 N TYR A 25 85.857 10.141 1.191 1.00 0.00 N ATOM 387 CA TYR A 25 86.534 11.172 2.028 1.00 0.00 C ATOM 388 C TYR A 25 87.747 11.728 1.280 1.00 0.00 C ATOM 389 O TYR A 25 88.331 11.063 0.449 1.00 0.00 O ATOM 390 CB TYR A 25 86.974 10.429 3.292 1.00 0.00 C ATOM 391 CG TYR A 25 87.873 11.319 4.120 1.00 0.00 C ATOM 392 CD1 TYR A 25 89.180 11.585 3.696 1.00 0.00 C ATOM 393 CD2 TYR A 25 87.397 11.874 5.314 1.00 0.00 C ATOM 394 CE1 TYR A 25 90.012 12.409 4.465 1.00 0.00 C ATOM 395 CE2 TYR A 25 88.229 12.697 6.084 1.00 0.00 C ATOM 396 CZ TYR A 25 89.536 12.964 5.659 1.00 0.00 C ATOM 397 OH TYR A 25 90.355 13.775 6.418 1.00 0.00 O ATOM 0 H TYR A 25 86.465 9.400 0.842 1.00 0.00 H new ATOM 0 HA TYR A 25 85.885 12.016 2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 25 86.101 10.135 3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 25 87.501 9.514 3.022 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.547 11.155 2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.389 11.668 5.641 1.00 0.00 H new ATOM 0 HE1 TYR A 25 91.020 12.616 4.137 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.862 13.125 7.005 1.00 0.00 H new ATOM 0 HH TYR A 25 89.869 14.077 7.214 1.00 0.00 H new ATOM 407 N GLY A 26 88.134 12.941 1.562 1.00 0.00 N ATOM 408 CA GLY A 26 89.314 13.518 0.855 1.00 0.00 C ATOM 409 C GLY A 26 89.218 13.210 -0.636 1.00 0.00 C ATOM 410 O GLY A 26 88.170 12.870 -1.148 1.00 0.00 O ATOM 0 H GLY A 26 87.689 13.554 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.354 14.596 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.235 13.102 1.264 1.00 0.00 H new ATOM 414 N CYS A 27 90.307 13.332 -1.340 1.00 0.00 N ATOM 415 CA CYS A 27 90.284 13.055 -2.806 1.00 0.00 C ATOM 416 C CYS A 27 90.744 11.623 -3.104 1.00 0.00 C ATOM 417 O CYS A 27 90.551 11.119 -4.192 1.00 0.00 O ATOM 418 CB CYS A 27 91.260 14.062 -3.411 1.00 0.00 C ATOM 419 SG CYS A 27 90.354 15.215 -4.471 1.00 0.00 S ATOM 0 H CYS A 27 91.214 13.612 -0.965 1.00 0.00 H new ATOM 0 HA CYS A 27 89.279 13.149 -3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 27 91.775 14.606 -2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 27 92.024 13.542 -3.990 1.00 0.00 H new ATOM 424 N TYR A 28 91.360 10.963 -2.159 1.00 0.00 N ATOM 425 CA TYR A 28 91.833 9.571 -2.420 1.00 0.00 C ATOM 426 C TYR A 28 90.885 8.545 -1.791 1.00 0.00 C ATOM 427 O TYR A 28 90.669 7.477 -2.331 1.00 0.00 O ATOM 428 CB TYR A 28 93.212 9.499 -1.770 1.00 0.00 C ATOM 429 CG TYR A 28 94.154 10.423 -2.502 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.597 10.094 -3.789 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.583 11.609 -1.895 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.469 10.952 -4.468 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.455 12.467 -2.575 1.00 0.00 C ATOM 434 CZ TYR A 28 95.898 12.138 -3.862 1.00 0.00 C ATOM 435 OH TYR A 28 96.758 12.985 -4.533 1.00 0.00 O ATOM 0 H TYR A 28 91.555 11.323 -1.225 1.00 0.00 H new ATOM 0 HA TYR A 28 91.867 9.344 -3.486 1.00 0.00 H new ATOM 0 HB2 TYR A 28 93.148 9.783 -0.720 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.589 8.477 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 28 94.266 9.179 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.241 11.862 -0.902 1.00 0.00 H new ATOM 0 HE1 TYR A 28 95.811 10.699 -5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.786 13.382 -2.107 1.00 0.00 H new ATOM 0 HH TYR A 28 96.347 13.871 -4.615 1.00 0.00 H new ATOM 445 N CYS A 29 90.321 8.851 -0.654 1.00 0.00 N ATOM 446 CA CYS A 29 89.394 7.880 -0.004 1.00 0.00 C ATOM 447 C CYS A 29 88.030 7.911 -0.699 1.00 0.00 C ATOM 448 O CYS A 29 87.107 8.563 -0.253 1.00 0.00 O ATOM 449 CB CYS A 29 89.275 8.346 1.449 1.00 0.00 C ATOM 450 SG CYS A 29 90.892 8.228 2.253 1.00 0.00 S ATOM 0 H CYS A 29 90.461 9.726 -0.149 1.00 0.00 H new ATOM 0 HA CYS A 29 89.759 6.855 -0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.913 9.374 1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.547 7.733 1.980 1.00 0.00 H new ATOM 455 N GLY A 30 87.901 7.210 -1.794 1.00 0.00 N ATOM 456 CA GLY A 30 86.602 7.195 -2.525 1.00 0.00 C ATOM 457 C GLY A 30 86.765 6.426 -3.839 1.00 0.00 C ATOM 458 O GLY A 30 87.553 5.505 -3.936 1.00 0.00 O ATOM 0 H GLY A 30 88.641 6.647 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.832 6.728 -1.911 1.00 0.00 H new ATOM 0 HA3 GLY A 30 86.274 8.215 -2.726 1.00 0.00 H new ATOM 506 N GLY A 35 95.379 15.354 -7.169 1.00 0.00 N ATOM 507 CA GLY A 35 95.663 16.707 -6.612 1.00 0.00 C ATOM 508 C GLY A 35 96.230 16.575 -5.198 1.00 0.00 C ATOM 509 O GLY A 35 96.584 15.501 -4.755 1.00 0.00 O ATOM 0 HA2 GLY A 35 96.373 17.232 -7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 35 94.750 17.302 -6.594 1.00 0.00 H new ATOM 513 N THR A 36 96.320 17.665 -4.488 1.00 0.00 N ATOM 514 CA THR A 36 96.867 17.613 -3.101 1.00 0.00 C ATOM 515 C THR A 36 95.870 16.935 -2.157 1.00 0.00 C ATOM 516 O THR A 36 94.677 17.137 -2.263 1.00 0.00 O ATOM 517 CB THR A 36 97.067 19.076 -2.704 1.00 0.00 C ATOM 518 OG1 THR A 36 98.143 19.625 -3.452 1.00 0.00 O ATOM 519 CG2 THR A 36 97.384 19.166 -1.211 1.00 0.00 C ATOM 0 H THR A 36 96.038 18.592 -4.808 1.00 0.00 H new ATOM 0 HA THR A 36 97.793 17.040 -3.045 1.00 0.00 H new ATOM 0 HB THR A 36 96.155 19.635 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 36 98.271 20.563 -3.200 1.00 0.00 H new ATOM 0 HG21 THR A 36 97.526 20.210 -0.931 1.00 0.00 H new ATOM 0 HG22 THR A 36 96.558 18.746 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 36 98.295 18.606 -0.998 1.00 0.00 H new ATOM 527 N PRO A 37 96.400 16.154 -1.256 1.00 0.00 N ATOM 528 CA PRO A 37 95.552 15.441 -0.272 1.00 0.00 C ATOM 529 C PRO A 37 95.002 16.429 0.761 1.00 0.00 C ATOM 530 O PRO A 37 95.468 17.545 0.872 1.00 0.00 O ATOM 531 CB PRO A 37 96.512 14.447 0.376 1.00 0.00 C ATOM 532 CG PRO A 37 97.870 15.044 0.193 1.00 0.00 C ATOM 533 CD PRO A 37 97.826 15.865 -1.071 1.00 0.00 C ATOM 0 HA PRO A 37 94.686 14.953 -0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.282 14.307 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.445 13.467 -0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.136 15.666 1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 37 98.627 14.264 0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.409 16.780 -0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.235 15.315 -1.919 1.00 0.00 H new ATOM 541 N VAL A 38 94.011 16.032 1.511 1.00 0.00 N ATOM 542 CA VAL A 38 93.435 16.960 2.526 1.00 0.00 C ATOM 543 C VAL A 38 93.885 16.565 3.936 1.00 0.00 C ATOM 544 O VAL A 38 94.037 17.402 4.803 1.00 0.00 O ATOM 545 CB VAL A 38 91.920 16.813 2.385 1.00 0.00 C ATOM 546 CG1 VAL A 38 91.486 17.318 1.009 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.534 15.338 2.529 1.00 0.00 C ATOM 0 H VAL A 38 93.577 15.110 1.466 1.00 0.00 H new ATOM 0 HA VAL A 38 93.762 17.988 2.371 1.00 0.00 H new ATOM 0 HB VAL A 38 91.425 17.397 3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 38 90.406 17.214 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 38 91.761 18.367 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 38 91.982 16.733 0.234 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.454 15.233 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 38 92.029 14.755 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.844 14.975 3.509 1.00 0.00 H new ATOM 557 N ASP A 39 94.095 15.300 4.176 1.00 0.00 N ATOM 558 CA ASP A 39 94.528 14.867 5.537 1.00 0.00 C ATOM 559 C ASP A 39 95.244 13.514 5.469 1.00 0.00 C ATOM 560 O ASP A 39 95.127 12.786 4.504 1.00 0.00 O ATOM 561 CB ASP A 39 93.230 14.744 6.336 1.00 0.00 C ATOM 562 CG ASP A 39 93.191 15.823 7.419 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.873 15.659 8.417 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.478 16.796 7.231 1.00 0.00 O ATOM 0 H ASP A 39 93.987 14.550 3.493 1.00 0.00 H new ATOM 0 HA ASP A 39 95.228 15.569 5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.371 14.849 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 39 93.163 13.756 6.790 1.00 0.00 H new ATOM 569 N ASP A 40 95.982 13.169 6.491 1.00 0.00 N ATOM 570 CA ASP A 40 96.700 11.863 6.483 1.00 0.00 C ATOM 571 C ASP A 40 95.751 10.751 6.038 1.00 0.00 C ATOM 572 O ASP A 40 96.047 9.996 5.133 1.00 0.00 O ATOM 573 CB ASP A 40 97.145 11.640 7.930 1.00 0.00 C ATOM 574 CG ASP A 40 98.562 11.066 7.945 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.766 10.026 7.340 1.00 0.00 O ATOM 576 OD2 ASP A 40 99.420 11.677 8.561 1.00 0.00 O ATOM 0 H ASP A 40 96.118 13.735 7.329 1.00 0.00 H new ATOM 0 HA ASP A 40 97.546 11.860 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 40 97.117 12.581 8.480 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.459 10.957 8.431 1.00 0.00 H new ATOM 581 N LEU A 41 94.607 10.644 6.657 1.00 0.00 N ATOM 582 CA LEU A 41 93.648 9.580 6.247 1.00 0.00 C ATOM 583 C LEU A 41 93.557 9.545 4.721 1.00 0.00 C ATOM 584 O LEU A 41 93.587 8.496 4.108 1.00 0.00 O ATOM 585 CB LEU A 41 92.307 9.986 6.860 1.00 0.00 C ATOM 586 CG LEU A 41 91.315 8.830 6.727 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.699 7.711 7.694 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.907 9.324 7.064 1.00 0.00 C ATOM 0 H LEU A 41 94.297 11.242 7.423 1.00 0.00 H new ATOM 0 HA LEU A 41 93.952 8.588 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 41 92.439 10.247 7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.919 10.872 6.358 1.00 0.00 H new ATOM 0 HG LEU A 41 91.337 8.453 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 41 90.991 6.888 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.702 7.356 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.678 8.090 8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.200 8.500 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.889 9.702 8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.628 10.123 6.377 1.00 0.00 H new ATOM 600 N ASP A 42 93.467 10.691 4.103 1.00 0.00 N ATOM 601 CA ASP A 42 93.396 10.728 2.617 1.00 0.00 C ATOM 602 C ASP A 42 94.694 10.165 2.038 1.00 0.00 C ATOM 603 O ASP A 42 94.685 9.369 1.120 1.00 0.00 O ATOM 604 CB ASP A 42 93.241 12.207 2.259 1.00 0.00 C ATOM 605 CG ASP A 42 92.715 12.335 0.828 1.00 0.00 C ATOM 606 OD1 ASP A 42 92.086 11.399 0.363 1.00 0.00 O ATOM 607 OD2 ASP A 42 92.952 13.366 0.222 1.00 0.00 O ATOM 0 H ASP A 42 93.440 11.601 4.563 1.00 0.00 H new ATOM 0 HA ASP A 42 92.573 10.135 2.218 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.555 12.690 2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.200 12.717 2.352 1.00 0.00 H new ATOM 612 N ARG A 43 95.813 10.564 2.583 1.00 0.00 N ATOM 613 CA ARG A 43 97.112 10.044 2.081 1.00 0.00 C ATOM 614 C ARG A 43 97.087 8.519 2.094 1.00 0.00 C ATOM 615 O ARG A 43 97.656 7.868 1.240 1.00 0.00 O ATOM 616 CB ARG A 43 98.152 10.568 3.069 1.00 0.00 C ATOM 617 CG ARG A 43 98.584 11.970 2.649 1.00 0.00 C ATOM 618 CD ARG A 43 100.051 11.946 2.218 1.00 0.00 C ATOM 619 NE ARG A 43 100.159 10.817 1.265 1.00 0.00 N ATOM 620 CZ ARG A 43 101.224 10.687 0.524 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.383 11.088 0.971 1.00 0.00 N ATOM 622 NH2 ARG A 43 101.131 10.156 -0.665 1.00 0.00 N ATOM 0 H ARG A 43 95.880 11.228 3.354 1.00 0.00 H new ATOM 0 HA ARG A 43 97.327 10.359 1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.735 10.590 4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 43 99.014 9.902 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 43 97.959 12.324 1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.449 12.667 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.338 12.887 1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.710 11.803 3.074 1.00 0.00 H new ATOM 0 HE ARG A 43 99.399 10.141 1.188 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.456 11.503 1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.216 10.986 0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 43 100.225 9.843 -1.014 1.00 0.00 H new ATOM 0 HH22 ARG A 43 101.964 10.054 -1.245 1.00 0.00 H new ATOM 636 N CYS A 44 96.426 7.946 3.059 1.00 0.00 N ATOM 637 CA CYS A 44 96.356 6.470 3.131 1.00 0.00 C ATOM 638 C CYS A 44 95.701 5.934 1.861 1.00 0.00 C ATOM 639 O CYS A 44 96.192 5.018 1.232 1.00 0.00 O ATOM 640 CB CYS A 44 95.488 6.166 4.351 1.00 0.00 C ATOM 641 SG CYS A 44 96.131 7.053 5.790 1.00 0.00 S ATOM 0 H CYS A 44 95.931 8.441 3.801 1.00 0.00 H new ATOM 0 HA CYS A 44 97.339 6.007 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.457 6.463 4.159 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.480 5.094 4.546 1.00 0.00 H new ATOM 646 N CYS A 45 94.596 6.510 1.477 1.00 0.00 N ATOM 647 CA CYS A 45 93.911 6.045 0.239 1.00 0.00 C ATOM 648 C CYS A 45 94.786 6.360 -0.974 1.00 0.00 C ATOM 649 O CYS A 45 94.941 5.548 -1.865 1.00 0.00 O ATOM 650 CB CYS A 45 92.600 6.828 0.186 1.00 0.00 C ATOM 651 SG CYS A 45 91.613 6.439 1.651 1.00 0.00 S ATOM 0 H CYS A 45 94.139 7.280 1.965 1.00 0.00 H new ATOM 0 HA CYS A 45 93.729 4.970 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.803 7.898 0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 45 92.047 6.573 -0.718 1.00 0.00 H new ATOM 656 N GLN A 46 95.379 7.523 -1.007 1.00 0.00 N ATOM 657 CA GLN A 46 96.262 7.867 -2.154 1.00 0.00 C ATOM 658 C GLN A 46 97.256 6.728 -2.358 1.00 0.00 C ATOM 659 O GLN A 46 97.563 6.338 -3.467 1.00 0.00 O ATOM 660 CB GLN A 46 96.983 9.150 -1.732 1.00 0.00 C ATOM 661 CG GLN A 46 97.966 9.572 -2.827 1.00 0.00 C ATOM 662 CD GLN A 46 98.393 11.018 -2.601 1.00 0.00 C ATOM 663 OE1 GLN A 46 97.964 11.655 -1.659 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.231 11.567 -3.433 1.00 0.00 N ATOM 0 H GLN A 46 95.290 8.245 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 46 95.720 8.010 -3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.258 9.945 -1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.515 8.988 -0.795 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.839 8.919 -2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.501 9.469 -3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.590 11.031 -4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 46 99.528 12.533 -3.295 1.00 0.00 H new ATOM 673 N THR A 47 97.744 6.179 -1.279 1.00 0.00 N ATOM 674 CA THR A 47 98.700 5.051 -1.376 1.00 0.00 C ATOM 675 C THR A 47 97.946 3.782 -1.773 1.00 0.00 C ATOM 676 O THR A 47 98.474 2.909 -2.432 1.00 0.00 O ATOM 677 CB THR A 47 99.290 4.910 0.026 1.00 0.00 C ATOM 678 OG1 THR A 47 99.683 6.189 0.504 1.00 0.00 O ATOM 679 CG2 THR A 47 100.506 3.984 -0.018 1.00 0.00 C ATOM 0 H THR A 47 97.516 6.470 -0.328 1.00 0.00 H new ATOM 0 HA THR A 47 99.476 5.217 -2.123 1.00 0.00 H new ATOM 0 HB THR A 47 98.540 4.487 0.694 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.906 6.649 0.885 1.00 0.00 H new ATOM 0 HG21 THR A 47 100.925 3.885 0.984 1.00 0.00 H new ATOM 0 HG22 THR A 47 100.203 3.003 -0.383 1.00 0.00 H new ATOM 0 HG23 THR A 47 101.258 4.403 -0.686 1.00 0.00 H new ATOM 687 N HIS A 48 96.704 3.686 -1.380 1.00 0.00 N ATOM 688 CA HIS A 48 95.895 2.487 -1.736 1.00 0.00 C ATOM 689 C HIS A 48 95.767 2.406 -3.252 1.00 0.00 C ATOM 690 O HIS A 48 96.007 1.380 -3.858 1.00 0.00 O ATOM 691 CB HIS A 48 94.530 2.732 -1.092 1.00 0.00 C ATOM 692 CG HIS A 48 93.677 1.499 -1.225 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.344 1.560 -1.604 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.952 0.167 -1.032 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.872 0.300 -1.626 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.811 -0.587 -1.286 1.00 0.00 N ATOM 0 H HIS A 48 96.215 4.389 -0.826 1.00 0.00 H new ATOM 0 HA HIS A 48 96.339 1.553 -1.393 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.654 2.988 -0.040 1.00 0.00 H new ATOM 0 HB3 HIS A 48 94.038 3.579 -1.570 1.00 0.00 H new ATOM 0 HD2 HIS A 48 94.908 -0.234 -0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 48 90.857 0.038 -1.887 1.00 0.00 H new ATOM 0 HE2 HIS A 48 92.712 -1.600 -1.226 1.00 0.00 H new ATOM 704 N ASP A 49 95.404 3.495 -3.869 1.00 0.00 N ATOM 705 CA ASP A 49 95.270 3.510 -5.343 1.00 0.00 C ATOM 706 C ASP A 49 96.635 3.246 -5.979 1.00 0.00 C ATOM 707 O ASP A 49 96.782 2.405 -6.843 1.00 0.00 O ATOM 708 CB ASP A 49 94.787 4.921 -5.677 1.00 0.00 C ATOM 709 CG ASP A 49 93.283 5.026 -5.418 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.524 4.577 -6.261 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.915 5.554 -4.383 1.00 0.00 O ATOM 0 H ASP A 49 95.194 4.380 -3.407 1.00 0.00 H new ATOM 0 HA ASP A 49 94.584 2.749 -5.714 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.322 5.652 -5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 49 95.003 5.152 -6.720 1.00 0.00 H new ATOM 716 N ASN A 50 97.637 3.962 -5.546 1.00 0.00 N ATOM 717 CA ASN A 50 98.998 3.764 -6.106 1.00 0.00 C ATOM 718 C ASN A 50 99.418 2.301 -5.942 1.00 0.00 C ATOM 719 O ASN A 50 100.206 1.780 -6.706 1.00 0.00 O ATOM 720 CB ASN A 50 99.902 4.682 -5.282 1.00 0.00 C ATOM 721 CG ASN A 50 99.975 6.059 -5.946 1.00 0.00 C ATOM 722 OD1 ASN A 50 99.839 6.175 -7.147 1.00 0.00 O ATOM 723 ND2 ASN A 50 100.183 7.115 -5.208 1.00 0.00 N ATOM 0 H ASN A 50 97.568 4.679 -4.824 1.00 0.00 H new ATOM 0 HA ASN A 50 99.051 3.995 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.514 4.776 -4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.900 4.251 -5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 50 100.231 8.038 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 50 100.297 7.018 -4.199 1.00 0.00 H new ATOM 730 N CYS A 51 98.890 1.635 -4.950 1.00 0.00 N ATOM 731 CA CYS A 51 99.250 0.205 -4.736 1.00 0.00 C ATOM 732 C CYS A 51 98.593 -0.664 -5.811 1.00 0.00 C ATOM 733 O CYS A 51 99.199 -1.568 -6.349 1.00 0.00 O ATOM 734 CB CYS A 51 98.694 -0.141 -3.353 1.00 0.00 C ATOM 735 SG CYS A 51 99.528 -1.616 -2.718 1.00 0.00 S ATOM 0 H CYS A 51 98.225 2.020 -4.279 1.00 0.00 H new ATOM 0 HA CYS A 51 100.325 0.033 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.842 0.696 -2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.620 -0.316 -3.415 1.00 0.00 H new ATOM 740 N TYR A 52 97.356 -0.391 -6.128 1.00 0.00 N ATOM 741 CA TYR A 52 96.660 -1.196 -7.172 1.00 0.00 C ATOM 742 C TYR A 52 97.364 -1.024 -8.519 1.00 0.00 C ATOM 743 O TYR A 52 97.328 -1.895 -9.365 1.00 0.00 O ATOM 744 CB TYR A 52 95.240 -0.632 -7.225 1.00 0.00 C ATOM 745 CG TYR A 52 94.371 -1.364 -6.232 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.344 -2.764 -6.224 1.00 0.00 C ATOM 747 CD2 TYR A 52 93.593 -0.644 -5.317 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.539 -3.443 -5.303 1.00 0.00 C ATOM 749 CE2 TYR A 52 92.788 -1.325 -4.395 1.00 0.00 C ATOM 750 CZ TYR A 52 92.762 -2.724 -4.388 1.00 0.00 C ATOM 751 OH TYR A 52 91.969 -3.394 -3.479 1.00 0.00 O ATOM 0 H TYR A 52 96.798 0.354 -5.710 1.00 0.00 H new ATOM 0 HA TYR A 52 96.662 -2.263 -6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.252 0.434 -6.998 1.00 0.00 H new ATOM 0 HB3 TYR A 52 94.832 -0.739 -8.230 1.00 0.00 H new ATOM 0 HD1 TYR A 52 94.945 -3.320 -6.929 1.00 0.00 H new ATOM 0 HD2 TYR A 52 93.614 0.436 -5.322 1.00 0.00 H new ATOM 0 HE1 TYR A 52 93.517 -4.523 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR A 52 92.187 -0.770 -3.689 1.00 0.00 H new ATOM 0 HH TYR A 52 92.530 -3.966 -2.914 1.00 0.00 H new ATOM 761 N LYS A 53 98.018 0.086 -8.717 1.00 0.00 N ATOM 762 CA LYS A 53 98.740 0.304 -10.004 1.00 0.00 C ATOM 763 C LYS A 53 100.031 -0.493 -9.959 1.00 0.00 C ATOM 764 O LYS A 53 100.308 -1.321 -10.803 1.00 0.00 O ATOM 765 CB LYS A 53 99.062 1.804 -10.079 1.00 0.00 C ATOM 766 CG LYS A 53 97.929 2.634 -9.471 1.00 0.00 C ATOM 767 CD LYS A 53 97.290 3.501 -10.557 1.00 0.00 C ATOM 768 CE LYS A 53 96.380 4.547 -9.909 1.00 0.00 C ATOM 769 NZ LYS A 53 94.999 4.012 -10.078 1.00 0.00 N ATOM 0 H LYS A 53 98.085 0.851 -8.046 1.00 0.00 H new ATOM 0 HA LYS A 53 98.151 -0.008 -10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 53 99.993 2.008 -9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.216 2.096 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.180 1.977 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.315 3.263 -8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 53 98.064 3.993 -11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 53 96.715 2.878 -11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.624 4.685 -8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 53 96.489 5.518 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.316 4.675 -9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.793 3.898 -11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 94.923 3.090 -9.603 1.00 0.00 H new ATOM 783 N GLN A 54 100.814 -0.251 -8.950 1.00 0.00 N ATOM 784 CA GLN A 54 102.091 -0.993 -8.800 1.00 0.00 C ATOM 785 C GLN A 54 101.815 -2.488 -8.947 1.00 0.00 C ATOM 786 O GLN A 54 102.622 -3.239 -9.457 1.00 0.00 O ATOM 787 CB GLN A 54 102.574 -0.674 -7.385 1.00 0.00 C ATOM 788 CG GLN A 54 103.265 0.691 -7.372 1.00 0.00 C ATOM 789 CD GLN A 54 104.636 0.562 -6.703 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.469 -0.205 -7.141 1.00 0.00 O ATOM 791 NE2 GLN A 54 104.905 1.286 -5.650 1.00 0.00 N ATOM 0 H GLN A 54 100.623 0.433 -8.218 1.00 0.00 H new ATOM 0 HA GLN A 54 102.835 -0.716 -9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.731 -0.672 -6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.264 -1.445 -7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 54 103.379 1.063 -8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 54 102.653 1.415 -6.835 1.00 0.00 H new ATOM 0 HE21 GLN A 54 104.205 1.930 -5.282 1.00 0.00 H new ATOM 0 HE22 GLN A 54 105.815 1.207 -5.196 1.00 0.00 H new ATOM 800 N ALA A 55 100.665 -2.914 -8.503 1.00 0.00 N ATOM 801 CA ALA A 55 100.305 -4.356 -8.612 1.00 0.00 C ATOM 802 C ALA A 55 100.153 -4.746 -10.084 1.00 0.00 C ATOM 803 O ALA A 55 100.558 -5.811 -10.500 1.00 0.00 O ATOM 804 CB ALA A 55 98.965 -4.483 -7.885 1.00 0.00 C ATOM 0 H ALA A 55 99.956 -2.323 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 55 101.065 -5.009 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.629 -5.519 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 55 99.084 -4.175 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.226 -3.845 -8.370 1.00 0.00 H new ATOM 810 N LYS A 56 99.571 -3.888 -10.874 1.00 0.00 N ATOM 811 CA LYS A 56 99.394 -4.205 -12.320 1.00 0.00 C ATOM 812 C LYS A 56 100.759 -4.305 -13.008 1.00 0.00 C ATOM 813 O LYS A 56 100.984 -5.162 -13.841 1.00 0.00 O ATOM 814 CB LYS A 56 98.588 -3.035 -12.886 1.00 0.00 C ATOM 815 CG LYS A 56 97.093 -3.326 -12.733 1.00 0.00 C ATOM 816 CD LYS A 56 96.310 -2.011 -12.757 1.00 0.00 C ATOM 817 CE LYS A 56 94.912 -2.260 -13.328 1.00 0.00 C ATOM 818 NZ LYS A 56 94.248 -0.927 -13.318 1.00 0.00 N ATOM 0 H LYS A 56 99.210 -2.980 -10.582 1.00 0.00 H new ATOM 0 HA LYS A 56 98.890 -5.158 -12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 56 98.846 -2.114 -12.362 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.835 -2.884 -13.937 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.755 -3.977 -13.539 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.909 -3.854 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 56 96.235 -1.601 -11.750 1.00 0.00 H new ATOM 0 HD3 LYS A 56 96.836 -1.273 -13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 56 94.965 -2.667 -14.338 1.00 0.00 H new ATOM 0 HE3 LYS A 56 94.361 -2.980 -12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 93.283 -1.017 -13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 94.206 -0.568 -12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 94.791 -0.264 -13.908 1.00 0.00 H new ATOM 832 N LYS A 57 101.671 -3.436 -12.669 1.00 0.00 N ATOM 833 CA LYS A 57 103.015 -3.480 -13.302 1.00 0.00 C ATOM 834 C LYS A 57 103.674 -4.837 -13.043 1.00 0.00 C ATOM 835 O LYS A 57 104.389 -5.360 -13.874 1.00 0.00 O ATOM 836 CB LYS A 57 103.811 -2.362 -12.630 1.00 0.00 C ATOM 837 CG LYS A 57 104.456 -1.478 -13.701 1.00 0.00 C ATOM 838 CD LYS A 57 103.387 -0.589 -14.340 1.00 0.00 C ATOM 839 CE LYS A 57 104.059 0.494 -15.191 1.00 0.00 C ATOM 840 NZ LYS A 57 103.902 0.044 -16.606 1.00 0.00 N ATOM 0 H LYS A 57 101.541 -2.696 -11.979 1.00 0.00 H new ATOM 0 HA LYS A 57 102.966 -3.349 -14.383 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.155 -1.764 -11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.579 -2.786 -11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 57 105.238 -0.862 -13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 57 104.931 -2.098 -14.462 1.00 0.00 H new ATOM 0 HD2 LYS A 57 102.722 -1.191 -14.959 1.00 0.00 H new ATOM 0 HD3 LYS A 57 102.773 -0.128 -13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 57 103.589 1.465 -15.033 1.00 0.00 H new ATOM 0 HE3 LYS A 57 105.111 0.603 -14.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 104.340 0.740 -17.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 104.366 -0.879 -16.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 102.891 -0.043 -16.832 1.00 0.00 H new ATOM 854 N LEU A 58 103.442 -5.406 -11.893 1.00 0.00 N ATOM 855 CA LEU A 58 104.056 -6.724 -11.575 1.00 0.00 C ATOM 856 C LEU A 58 103.792 -7.721 -12.706 1.00 0.00 C ATOM 857 O LEU A 58 102.685 -7.846 -13.190 1.00 0.00 O ATOM 858 CB LEU A 58 103.370 -7.184 -10.289 1.00 0.00 C ATOM 859 CG LEU A 58 104.245 -6.832 -9.087 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.375 -6.237 -7.978 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.934 -8.096 -8.572 1.00 0.00 C ATOM 0 H LEU A 58 102.853 -5.014 -11.159 1.00 0.00 H new ATOM 0 HA LEU A 58 105.138 -6.654 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.395 -6.706 -10.194 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.196 -8.260 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 58 104.998 -6.103 -9.387 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.000 -5.986 -7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 58 102.884 -5.336 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.621 -6.965 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 58 105.559 -7.846 -7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 58 104.181 -8.825 -8.272 1.00 0.00 H new ATOM 0 HD23 LEU A 58 105.555 -8.520 -9.362 1.00 0.00 H new ATOM 873 N ASP A 59 104.800 -8.435 -13.129 1.00 0.00 N ATOM 874 CA ASP A 59 104.598 -9.426 -14.224 1.00 0.00 C ATOM 875 C ASP A 59 103.579 -10.483 -13.791 1.00 0.00 C ATOM 876 O ASP A 59 102.564 -10.679 -14.429 1.00 0.00 O ATOM 877 CB ASP A 59 105.972 -10.063 -14.445 1.00 0.00 C ATOM 878 CG ASP A 59 106.421 -9.815 -15.887 1.00 0.00 C ATOM 879 OD1 ASP A 59 105.880 -8.916 -16.509 1.00 0.00 O ATOM 880 OD2 ASP A 59 107.298 -10.529 -16.343 1.00 0.00 O ATOM 0 H ASP A 59 105.751 -8.375 -12.765 1.00 0.00 H new ATOM 0 HA ASP A 59 104.215 -8.965 -15.134 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.697 -9.641 -13.749 1.00 0.00 H new ATOM 0 HB3 ASP A 59 105.925 -11.134 -14.246 1.00 0.00 H new ATOM 885 N SER A 60 103.840 -11.163 -12.707 1.00 0.00 N ATOM 886 CA SER A 60 102.886 -12.202 -12.231 1.00 0.00 C ATOM 887 C SER A 60 101.450 -11.681 -12.333 1.00 0.00 C ATOM 888 O SER A 60 100.586 -12.320 -12.901 1.00 0.00 O ATOM 889 CB SER A 60 103.264 -12.451 -10.771 1.00 0.00 C ATOM 890 OG SER A 60 102.084 -12.673 -10.011 1.00 0.00 O ATOM 0 H SER A 60 104.673 -11.043 -12.131 1.00 0.00 H new ATOM 0 HA SER A 60 102.938 -13.115 -12.824 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.926 -13.314 -10.697 1.00 0.00 H new ATOM 0 HB3 SER A 60 103.810 -11.595 -10.374 1.00 0.00 H new ATOM 0 HG SER A 60 102.324 -12.835 -9.075 1.00 0.00 H new ATOM 896 N CYS A 61 101.191 -10.522 -11.790 1.00 0.00 N ATOM 897 CA CYS A 61 99.812 -9.955 -11.859 1.00 0.00 C ATOM 898 C CYS A 61 99.452 -9.631 -13.311 1.00 0.00 C ATOM 899 O CYS A 61 98.351 -9.880 -13.761 1.00 0.00 O ATOM 900 CB CYS A 61 99.867 -8.676 -11.020 1.00 0.00 C ATOM 901 SG CYS A 61 100.021 -9.103 -9.269 1.00 0.00 S ATOM 0 H CYS A 61 101.874 -9.943 -11.302 1.00 0.00 H new ATOM 0 HA CYS A 61 99.058 -10.650 -11.490 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.712 -8.062 -11.330 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.966 -8.084 -11.182 1.00 0.00 H new ATOM 906 N LYS A 62 100.378 -9.080 -14.047 1.00 0.00 N ATOM 907 CA LYS A 62 100.098 -8.738 -15.471 1.00 0.00 C ATOM 908 C LYS A 62 99.831 -10.011 -16.276 1.00 0.00 C ATOM 909 O LYS A 62 99.383 -9.962 -17.404 1.00 0.00 O ATOM 910 CB LYS A 62 101.370 -8.048 -15.965 1.00 0.00 C ATOM 911 CG LYS A 62 101.013 -7.026 -17.047 1.00 0.00 C ATOM 912 CD LYS A 62 102.269 -6.669 -17.846 1.00 0.00 C ATOM 913 CE LYS A 62 101.920 -6.586 -19.335 1.00 0.00 C ATOM 914 NZ LYS A 62 102.696 -5.423 -19.853 1.00 0.00 N ATOM 0 H LYS A 62 101.318 -8.851 -13.723 1.00 0.00 H new ATOM 0 HA LYS A 62 99.219 -8.103 -15.581 1.00 0.00 H new ATOM 0 HB2 LYS A 62 101.873 -7.553 -15.135 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.065 -8.787 -16.364 1.00 0.00 H new ATOM 0 HG2 LYS A 62 100.251 -7.434 -17.711 1.00 0.00 H new ATOM 0 HG3 LYS A 62 100.592 -6.130 -16.591 1.00 0.00 H new ATOM 0 HD2 LYS A 62 102.673 -5.717 -17.503 1.00 0.00 H new ATOM 0 HD3 LYS A 62 103.042 -7.420 -17.684 1.00 0.00 H new ATOM 0 HE2 LYS A 62 102.192 -7.504 -19.855 1.00 0.00 H new ATOM 0 HE3 LYS A 62 100.850 -6.442 -19.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 102.507 -5.304 -20.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 102.411 -4.561 -19.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 103.712 -5.591 -19.707 1.00 0.00 H new ATOM 928 N VAL A 63 100.103 -11.152 -15.705 1.00 0.00 N ATOM 929 CA VAL A 63 99.867 -12.429 -16.437 1.00 0.00 C ATOM 930 C VAL A 63 98.872 -13.302 -15.667 1.00 0.00 C ATOM 931 O VAL A 63 99.120 -14.463 -15.410 1.00 0.00 O ATOM 932 CB VAL A 63 101.236 -13.106 -16.501 1.00 0.00 C ATOM 933 CG1 VAL A 63 101.130 -14.403 -17.307 1.00 0.00 C ATOM 934 CG2 VAL A 63 102.236 -12.167 -17.179 1.00 0.00 C ATOM 0 H VAL A 63 100.479 -11.256 -14.762 1.00 0.00 H new ATOM 0 HA VAL A 63 99.446 -12.266 -17.429 1.00 0.00 H new ATOM 0 HB VAL A 63 101.575 -13.334 -15.490 1.00 0.00 H new ATOM 0 HG11 VAL A 63 102.107 -14.884 -17.352 1.00 0.00 H new ATOM 0 HG12 VAL A 63 100.417 -15.073 -16.826 1.00 0.00 H new ATOM 0 HG13 VAL A 63 100.791 -14.177 -18.318 1.00 0.00 H new ATOM 0 HG21 VAL A 63 103.213 -12.648 -17.226 1.00 0.00 H new ATOM 0 HG22 VAL A 63 101.895 -11.940 -18.189 1.00 0.00 H new ATOM 0 HG23 VAL A 63 102.314 -11.243 -16.606 1.00 0.00 H new ATOM 1019 N TYR A 69 90.234 -6.338 -10.241 1.00 0.00 N ATOM 1020 CA TYR A 69 88.920 -6.154 -9.561 1.00 0.00 C ATOM 1021 C TYR A 69 88.062 -7.413 -9.713 1.00 0.00 C ATOM 1022 O TYR A 69 86.859 -7.338 -9.866 1.00 0.00 O ATOM 1023 CB TYR A 69 88.266 -4.969 -10.270 1.00 0.00 C ATOM 1024 CG TYR A 69 89.015 -3.690 -9.919 1.00 0.00 C ATOM 1025 CD1 TYR A 69 89.368 -3.426 -8.590 1.00 0.00 C ATOM 1026 CD2 TYR A 69 89.356 -2.780 -10.927 1.00 0.00 C ATOM 1027 CE1 TYR A 69 90.058 -2.252 -8.269 1.00 0.00 C ATOM 1028 CE2 TYR A 69 90.047 -1.607 -10.606 1.00 0.00 C ATOM 1029 CZ TYR A 69 90.400 -1.343 -9.277 1.00 0.00 C ATOM 1030 OH TYR A 69 91.081 -0.186 -8.960 1.00 0.00 O ATOM 0 HA TYR A 69 89.032 -5.976 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.278 -5.125 -11.349 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.221 -4.885 -9.971 1.00 0.00 H new ATOM 0 HD1 TYR A 69 89.108 -4.129 -7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 69 89.085 -2.984 -11.953 1.00 0.00 H new ATOM 0 HE1 TYR A 69 90.327 -2.047 -7.243 1.00 0.00 H new ATOM 0 HE2 TYR A 69 90.308 -0.905 -11.384 1.00 0.00 H new ATOM 0 HH TYR A 69 91.241 0.333 -9.776 1.00 0.00 H new ATOM 1040 N THR A 70 88.669 -8.568 -9.666 1.00 0.00 N ATOM 1041 CA THR A 70 87.892 -9.832 -9.803 1.00 0.00 C ATOM 1042 C THR A 70 88.840 -11.025 -9.942 1.00 0.00 C ATOM 1043 O THR A 70 88.553 -11.981 -10.635 1.00 0.00 O ATOM 1044 CB THR A 70 87.050 -9.664 -11.071 1.00 0.00 C ATOM 1045 OG1 THR A 70 86.619 -10.942 -11.519 1.00 0.00 O ATOM 1046 CG2 THR A 70 87.887 -8.997 -12.165 1.00 0.00 C ATOM 0 H THR A 70 89.674 -8.690 -9.538 1.00 0.00 H new ATOM 0 HA THR A 70 87.268 -10.020 -8.930 1.00 0.00 H new ATOM 0 HB THR A 70 86.185 -9.039 -10.851 1.00 0.00 H new ATOM 0 HG1 THR A 70 87.393 -11.460 -11.823 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.283 -8.880 -13.065 1.00 0.00 H new ATOM 0 HG22 THR A 70 88.220 -8.018 -11.822 1.00 0.00 H new ATOM 0 HG23 THR A 70 88.755 -9.618 -12.389 1.00 0.00 H new ATOM 1054 N ASN A 71 89.968 -10.981 -9.286 1.00 0.00 N ATOM 1055 CA ASN A 71 90.930 -12.116 -9.381 1.00 0.00 C ATOM 1056 C ASN A 71 90.506 -13.240 -8.431 1.00 0.00 C ATOM 1057 O ASN A 71 90.224 -14.346 -8.846 1.00 0.00 O ATOM 1058 CB ASN A 71 92.275 -11.529 -8.949 1.00 0.00 C ATOM 1059 CG ASN A 71 93.392 -12.531 -9.243 1.00 0.00 C ATOM 1060 OD1 ASN A 71 93.133 -13.638 -9.674 1.00 0.00 O ATOM 1061 ND2 ASN A 71 94.632 -12.188 -9.029 1.00 0.00 N ATOM 0 H ASN A 71 90.265 -10.209 -8.689 1.00 0.00 H new ATOM 0 HA ASN A 71 90.974 -12.542 -10.383 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.462 -10.595 -9.479 1.00 0.00 H new ATOM 0 HB3 ASN A 71 92.255 -11.293 -7.885 1.00 0.00 H new ATOM 0 HD21 ASN A 71 95.385 -12.848 -9.223 1.00 0.00 H new ATOM 0 HD22 ASN A 71 94.849 -11.259 -8.667 1.00 0.00 H new ATOM 1068 N ASN A 72 90.455 -12.956 -7.159 1.00 0.00 N ATOM 1069 CA ASN A 72 90.045 -13.996 -6.172 1.00 0.00 C ATOM 1070 C ASN A 72 89.888 -13.361 -4.789 1.00 0.00 C ATOM 1071 O ASN A 72 88.799 -13.268 -4.256 1.00 0.00 O ATOM 1072 CB ASN A 72 91.182 -15.018 -6.170 1.00 0.00 C ATOM 1073 CG ASN A 72 90.636 -16.392 -5.777 1.00 0.00 C ATOM 1074 OD1 ASN A 72 89.957 -16.526 -4.779 1.00 0.00 O ATOM 1075 ND2 ASN A 72 90.907 -17.426 -6.525 1.00 0.00 N ATOM 0 H ASN A 72 90.680 -12.045 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 72 89.091 -14.458 -6.426 1.00 0.00 H new ATOM 0 HB2 ASN A 72 91.642 -15.067 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 72 91.960 -14.711 -5.471 1.00 0.00 H new ATOM 0 HD21 ASN A 72 90.549 -18.347 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 72 91.477 -17.314 -7.363 1.00 0.00 H new ATOM 1082 N TYR A 73 90.968 -12.916 -4.207 1.00 0.00 N ATOM 1083 CA TYR A 73 90.883 -12.278 -2.861 1.00 0.00 C ATOM 1084 C TYR A 73 90.430 -13.295 -1.811 1.00 0.00 C ATOM 1085 O TYR A 73 89.354 -13.854 -1.894 1.00 0.00 O ATOM 1086 CB TYR A 73 89.844 -11.168 -3.014 1.00 0.00 C ATOM 1087 CG TYR A 73 90.200 -10.023 -2.097 1.00 0.00 C ATOM 1088 CD1 TYR A 73 90.503 -10.271 -0.752 1.00 0.00 C ATOM 1089 CD2 TYR A 73 90.231 -8.715 -2.591 1.00 0.00 C ATOM 1090 CE1 TYR A 73 90.834 -9.210 0.098 1.00 0.00 C ATOM 1091 CE2 TYR A 73 90.564 -7.653 -1.741 1.00 0.00 C ATOM 1092 CZ TYR A 73 90.865 -7.900 -0.397 1.00 0.00 C ATOM 1093 OH TYR A 73 91.194 -6.854 0.441 1.00 0.00 O ATOM 0 H TYR A 73 91.906 -12.966 -4.605 1.00 0.00 H new ATOM 0 HA TYR A 73 91.848 -11.894 -2.529 1.00 0.00 H new ATOM 0 HB2 TYR A 73 89.811 -10.825 -4.048 1.00 0.00 H new ATOM 0 HB3 TYR A 73 88.851 -11.547 -2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 73 90.481 -11.281 -0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 73 89.998 -8.524 -3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 73 91.066 -9.401 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 73 90.588 -6.643 -2.123 1.00 0.00 H new ATOM 0 HH TYR A 73 90.621 -6.084 0.244 1.00 0.00 H new ATOM 1103 N SER A 74 91.245 -13.533 -0.821 1.00 0.00 N ATOM 1104 CA SER A 74 90.866 -14.508 0.242 1.00 0.00 C ATOM 1105 C SER A 74 91.586 -14.160 1.547 1.00 0.00 C ATOM 1106 O SER A 74 92.798 -14.116 1.605 1.00 0.00 O ATOM 1107 CB SER A 74 91.330 -15.867 -0.281 1.00 0.00 C ATOM 1108 OG SER A 74 90.440 -16.875 0.179 1.00 0.00 O ATOM 0 H SER A 74 92.158 -13.094 -0.701 1.00 0.00 H new ATOM 0 HA SER A 74 89.797 -14.500 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 74 91.358 -15.860 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 74 92.343 -16.075 0.063 1.00 0.00 H new ATOM 0 HG SER A 74 90.733 -17.748 -0.156 1.00 0.00 H new ATOM 1114 N TYR A 75 90.850 -13.905 2.594 1.00 0.00 N ATOM 1115 CA TYR A 75 91.500 -13.552 3.889 1.00 0.00 C ATOM 1116 C TYR A 75 90.509 -13.708 5.045 1.00 0.00 C ATOM 1117 O TYR A 75 89.433 -14.250 4.888 1.00 0.00 O ATOM 1118 CB TYR A 75 91.912 -12.089 3.734 1.00 0.00 C ATOM 1119 CG TYR A 75 90.666 -11.213 3.702 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.877 -11.160 2.545 1.00 0.00 C ATOM 1121 CD2 TYR A 75 90.308 -10.464 4.828 1.00 0.00 C ATOM 1122 CE1 TYR A 75 88.730 -10.356 2.517 1.00 0.00 C ATOM 1123 CE2 TYR A 75 89.163 -9.660 4.801 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.374 -9.606 3.645 1.00 0.00 C ATOM 1125 OH TYR A 75 87.245 -8.813 3.618 1.00 0.00 O ATOM 0 H TYR A 75 89.830 -13.926 2.610 1.00 0.00 H new ATOM 0 HA TYR A 75 92.349 -14.198 4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.558 -11.792 4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.487 -11.957 2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 75 90.153 -11.738 1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 75 90.916 -10.506 5.719 1.00 0.00 H new ATOM 0 HE1 TYR A 75 88.121 -10.315 1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.888 -9.082 5.671 1.00 0.00 H new ATOM 0 HH TYR A 75 87.463 -7.948 3.213 1.00 0.00 H new ATOM 1135 N SER A 76 90.868 -13.233 6.208 1.00 0.00 N ATOM 1136 CA SER A 76 89.953 -13.348 7.380 1.00 0.00 C ATOM 1137 C SER A 76 90.219 -12.211 8.370 1.00 0.00 C ATOM 1138 O SER A 76 91.041 -11.349 8.132 1.00 0.00 O ATOM 1139 CB SER A 76 90.283 -14.700 8.012 1.00 0.00 C ATOM 1140 OG SER A 76 89.077 -15.332 8.425 1.00 0.00 O ATOM 0 H SER A 76 91.757 -12.770 6.397 1.00 0.00 H new ATOM 0 HA SER A 76 88.904 -13.280 7.093 1.00 0.00 H new ATOM 0 HB2 SER A 76 90.811 -15.330 7.296 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.946 -14.563 8.866 1.00 0.00 H new ATOM 0 HG SER A 76 89.285 -16.200 8.829 1.00 0.00 H new ATOM 1146 N CYS A 77 89.534 -12.206 9.480 1.00 0.00 N ATOM 1147 CA CYS A 77 89.751 -11.129 10.488 1.00 0.00 C ATOM 1148 C CYS A 77 89.960 -11.747 11.867 1.00 0.00 C ATOM 1149 O CYS A 77 89.711 -12.917 12.084 1.00 0.00 O ATOM 1150 CB CYS A 77 88.475 -10.288 10.457 1.00 0.00 C ATOM 1151 SG CYS A 77 88.361 -9.233 11.927 1.00 0.00 S ATOM 0 H CYS A 77 88.832 -12.902 9.733 1.00 0.00 H new ATOM 0 HA CYS A 77 90.632 -10.526 10.271 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.463 -9.670 9.559 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.605 -10.942 10.405 1.00 0.00 H new ATOM 1156 N SER A 78 90.416 -10.966 12.796 1.00 0.00 N ATOM 1157 CA SER A 78 90.654 -11.487 14.175 1.00 0.00 C ATOM 1158 C SER A 78 91.479 -10.483 14.986 1.00 0.00 C ATOM 1159 O SER A 78 92.343 -9.810 14.462 1.00 0.00 O ATOM 1160 CB SER A 78 91.439 -12.786 13.987 1.00 0.00 C ATOM 1161 OG SER A 78 90.609 -13.890 14.324 1.00 0.00 O ATOM 0 H SER A 78 90.638 -9.979 12.664 1.00 0.00 H new ATOM 0 HA SER A 78 89.721 -11.649 14.715 1.00 0.00 H new ATOM 0 HB2 SER A 78 91.778 -12.873 12.955 1.00 0.00 H new ATOM 0 HB3 SER A 78 92.329 -12.780 14.616 1.00 0.00 H new ATOM 0 HG SER A 78 89.938 -14.021 13.622 1.00 0.00 H new ATOM 1167 N ASN A 79 91.218 -10.386 16.261 1.00 0.00 N ATOM 1168 CA ASN A 79 91.985 -9.434 17.116 1.00 0.00 C ATOM 1169 C ASN A 79 92.213 -8.112 16.378 1.00 0.00 C ATOM 1170 O ASN A 79 93.324 -7.629 16.274 1.00 0.00 O ATOM 1171 CB ASN A 79 93.316 -10.135 17.391 1.00 0.00 C ATOM 1172 CG ASN A 79 93.064 -11.404 18.208 1.00 0.00 C ATOM 1173 OD1 ASN A 79 92.419 -11.360 19.237 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.548 -12.541 17.790 1.00 0.00 N ATOM 0 H ASN A 79 90.504 -10.927 16.750 1.00 0.00 H new ATOM 0 HA ASN A 79 91.454 -9.189 18.036 1.00 0.00 H new ATOM 0 HB2 ASN A 79 93.808 -10.386 16.451 1.00 0.00 H new ATOM 0 HB3 ASN A 79 93.986 -9.467 17.933 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.385 -13.393 18.327 1.00 0.00 H new ATOM 0 HD22 ASN A 79 94.089 -12.578 16.926 1.00 0.00 H new ATOM 1181 N ASN A 80 91.168 -7.522 15.871 1.00 0.00 N ATOM 1182 CA ASN A 80 91.307 -6.237 15.148 1.00 0.00 C ATOM 1183 C ASN A 80 92.468 -6.321 14.168 1.00 0.00 C ATOM 1184 O ASN A 80 93.243 -5.398 14.012 1.00 0.00 O ATOM 1185 CB ASN A 80 91.567 -5.197 16.231 1.00 0.00 C ATOM 1186 CG ASN A 80 90.683 -5.458 17.422 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.505 -5.927 17.221 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 91.070 -5.233 18.551 1.00 0.00 N flip ATOM 0 H ASN A 80 90.215 -7.882 15.929 1.00 0.00 H new ATOM 0 HA ASN A 80 90.422 -5.984 14.564 1.00 0.00 H new ATOM 0 HB2 ASN A 80 92.614 -5.228 16.532 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.377 -4.198 15.839 1.00 0.00 H new ATOM 0 HD21 ASN A 80 92.007 -4.860 18.704 1.00 0.00 H new ATOM 0 HD22 ASN A 80 90.458 -5.417 19.346 1.00 0.00 H new ATOM 1195 N GLU A 81 92.582 -7.430 13.506 1.00 0.00 N ATOM 1196 CA GLU A 81 93.676 -7.606 12.523 1.00 0.00 C ATOM 1197 C GLU A 81 93.184 -8.360 11.289 1.00 0.00 C ATOM 1198 O GLU A 81 92.207 -9.080 11.333 1.00 0.00 O ATOM 1199 CB GLU A 81 94.750 -8.411 13.246 1.00 0.00 C ATOM 1200 CG GLU A 81 95.444 -7.514 14.265 1.00 0.00 C ATOM 1201 CD GLU A 81 96.958 -7.575 14.056 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.470 -8.668 13.881 1.00 0.00 O ATOM 1203 OE2 GLU A 81 97.581 -6.525 14.075 1.00 0.00 O ATOM 0 H GLU A 81 91.958 -8.231 13.605 1.00 0.00 H new ATOM 0 HA GLU A 81 94.055 -6.646 12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.303 -9.271 13.745 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.475 -8.798 12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.093 -6.487 14.159 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.193 -7.834 15.276 1.00 0.00 H new ATOM 1210 N ILE A 82 93.862 -8.200 10.191 1.00 0.00 N ATOM 1211 CA ILE A 82 93.447 -8.905 8.944 1.00 0.00 C ATOM 1212 C ILE A 82 94.196 -10.235 8.818 1.00 0.00 C ATOM 1213 O ILE A 82 95.376 -10.324 9.099 1.00 0.00 O ATOM 1214 CB ILE A 82 93.819 -7.948 7.808 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.737 -6.873 7.682 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.921 -8.719 6.489 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.389 -5.491 7.625 1.00 0.00 C ATOM 0 H ILE A 82 94.689 -7.610 10.100 1.00 0.00 H new ATOM 0 HA ILE A 82 92.384 -9.146 8.931 1.00 0.00 H new ATOM 0 HB ILE A 82 94.781 -7.484 8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 82 92.144 -7.044 6.783 1.00 0.00 H new ATOM 0 HG13 ILE A 82 92.054 -6.929 8.530 1.00 0.00 H new ATOM 0 HG21 ILE A 82 94.186 -8.032 5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.688 -9.489 6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.962 -9.186 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.616 -4.728 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 82 93.963 -5.321 8.536 1.00 0.00 H new ATOM 0 HD13 ILE A 82 94.054 -5.438 6.763 1.00 0.00 H new ATOM 1229 N THR A 83 93.517 -11.272 8.408 1.00 0.00 N ATOM 1230 CA THR A 83 94.183 -12.600 8.273 1.00 0.00 C ATOM 1231 C THR A 83 94.145 -13.069 6.812 1.00 0.00 C ATOM 1232 O THR A 83 93.228 -13.745 6.393 1.00 0.00 O ATOM 1233 CB THR A 83 93.362 -13.530 9.182 1.00 0.00 C ATOM 1234 OG1 THR A 83 93.895 -13.486 10.497 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.412 -14.970 8.662 1.00 0.00 C ATOM 0 H THR A 83 92.528 -11.257 8.160 1.00 0.00 H new ATOM 0 HA THR A 83 95.235 -12.579 8.556 1.00 0.00 H new ATOM 0 HB THR A 83 92.325 -13.195 9.187 1.00 0.00 H new ATOM 0 HG1 THR A 83 93.374 -14.076 11.081 1.00 0.00 H new ATOM 0 HG21 THR A 83 92.826 -15.614 9.317 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.000 -15.007 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.446 -15.315 8.645 1.00 0.00 H new ATOM 1243 N CYS A 84 95.136 -12.720 6.036 1.00 0.00 N ATOM 1244 CA CYS A 84 95.151 -13.154 4.609 1.00 0.00 C ATOM 1245 C CYS A 84 95.769 -14.552 4.492 1.00 0.00 C ATOM 1246 O CYS A 84 96.714 -14.881 5.180 1.00 0.00 O ATOM 1247 CB CYS A 84 96.018 -12.120 3.886 1.00 0.00 C ATOM 1248 SG CYS A 84 95.097 -11.436 2.484 1.00 0.00 S ATOM 0 H CYS A 84 95.934 -12.155 6.327 1.00 0.00 H new ATOM 0 HA CYS A 84 94.149 -13.211 4.183 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.301 -11.323 4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.941 -12.583 3.538 1.00 0.00 H new ATOM 1253 N SER A 85 95.240 -15.376 3.626 1.00 0.00 N ATOM 1254 CA SER A 85 95.799 -16.751 3.472 1.00 0.00 C ATOM 1255 C SER A 85 97.179 -16.691 2.814 1.00 0.00 C ATOM 1256 O SER A 85 97.453 -15.831 2.001 1.00 0.00 O ATOM 1257 CB SER A 85 94.811 -17.484 2.566 1.00 0.00 C ATOM 1258 OG SER A 85 95.478 -18.561 1.919 1.00 0.00 O ATOM 0 H SER A 85 94.448 -15.157 3.021 1.00 0.00 H new ATOM 0 HA SER A 85 95.923 -17.253 4.432 1.00 0.00 H new ATOM 0 HB2 SER A 85 93.972 -17.860 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 85 94.400 -16.798 1.825 1.00 0.00 H new ATOM 0 HG SER A 85 94.816 -19.172 1.534 1.00 0.00 H new ATOM 1264 N SER A 86 98.049 -17.600 3.158 1.00 0.00 N ATOM 1265 CA SER A 86 99.409 -17.596 2.549 1.00 0.00 C ATOM 1266 C SER A 86 99.328 -18.036 1.087 1.00 0.00 C ATOM 1267 O SER A 86 100.238 -17.818 0.311 1.00 0.00 O ATOM 1268 CB SER A 86 100.215 -18.602 3.370 1.00 0.00 C ATOM 1269 OG SER A 86 99.634 -19.892 3.237 1.00 0.00 O ATOM 0 H SER A 86 97.877 -18.345 3.834 1.00 0.00 H new ATOM 0 HA SER A 86 99.866 -16.607 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.250 -18.620 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.230 -18.304 4.418 1.00 0.00 H new ATOM 0 HG SER A 86 100.150 -20.539 3.761 1.00 0.00 H new ATOM 1275 N GLU A 87 98.244 -18.651 0.703 1.00 0.00 N ATOM 1276 CA GLU A 87 98.103 -19.102 -0.711 1.00 0.00 C ATOM 1277 C GLU A 87 98.241 -17.905 -1.656 1.00 0.00 C ATOM 1278 O GLU A 87 98.610 -18.046 -2.805 1.00 0.00 O ATOM 1279 CB GLU A 87 96.698 -19.698 -0.797 1.00 0.00 C ATOM 1280 CG GLU A 87 96.744 -21.174 -0.399 1.00 0.00 C ATOM 1281 CD GLU A 87 95.324 -21.744 -0.384 1.00 0.00 C ATOM 1282 OE1 GLU A 87 94.642 -21.610 -1.388 1.00 0.00 O ATOM 1283 OE2 GLU A 87 94.941 -22.305 0.629 1.00 0.00 O ATOM 0 H GLU A 87 97.449 -18.861 1.307 1.00 0.00 H new ATOM 0 HA GLU A 87 98.867 -19.825 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.020 -19.154 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.310 -19.596 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.364 -21.732 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 87 97.201 -21.282 0.585 1.00 0.00 H new ATOM 1290 N ASN A 88 97.944 -16.728 -1.179 1.00 0.00 N ATOM 1291 CA ASN A 88 98.052 -15.522 -2.043 1.00 0.00 C ATOM 1292 C ASN A 88 99.441 -15.444 -2.684 1.00 0.00 C ATOM 1293 O ASN A 88 100.381 -14.954 -2.091 1.00 0.00 O ATOM 1294 CB ASN A 88 97.832 -14.340 -1.099 1.00 0.00 C ATOM 1295 CG ASN A 88 96.357 -14.273 -0.699 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.508 -14.828 -1.367 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.013 -13.612 0.373 1.00 0.00 N ATOM 0 H ASN A 88 97.630 -16.550 -0.225 1.00 0.00 H new ATOM 0 HA ASN A 88 97.330 -15.536 -2.859 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.456 -14.449 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 88 98.130 -13.412 -1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.032 -13.562 0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.725 -13.145 0.935 1.00 0.00 H new ATOM 1304 N ASN A 89 99.576 -15.919 -3.892 1.00 0.00 N ATOM 1305 CA ASN A 89 100.905 -15.864 -4.567 1.00 0.00 C ATOM 1306 C ASN A 89 101.452 -14.435 -4.542 1.00 0.00 C ATOM 1307 O ASN A 89 100.874 -13.549 -3.945 1.00 0.00 O ATOM 1308 CB ASN A 89 100.637 -16.312 -6.004 1.00 0.00 C ATOM 1309 CG ASN A 89 99.509 -15.469 -6.599 1.00 0.00 C ATOM 1310 OD1 ASN A 89 98.990 -14.581 -5.951 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.101 -15.709 -7.816 1.00 0.00 N ATOM 0 H ASN A 89 98.827 -16.342 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 89 101.645 -16.495 -4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.541 -16.205 -6.604 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.365 -17.367 -6.022 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.349 -15.152 -8.221 1.00 0.00 H new ATOM 0 HD22 ASN A 89 99.535 -16.453 -8.362 1.00 0.00 H new ATOM 1318 N ALA A 90 102.564 -14.204 -5.185 1.00 0.00 N ATOM 1319 CA ALA A 90 103.152 -12.837 -5.196 1.00 0.00 C ATOM 1320 C ALA A 90 102.095 -11.801 -5.592 1.00 0.00 C ATOM 1321 O ALA A 90 102.172 -10.649 -5.215 1.00 0.00 O ATOM 1322 CB ALA A 90 104.263 -12.894 -6.245 1.00 0.00 C ATOM 0 H ALA A 90 103.091 -14.906 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 90 103.527 -12.544 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.748 -11.920 -6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.998 -13.646 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.836 -13.156 -7.213 1.00 0.00 H new ATOM 1328 N CYS A 91 101.114 -12.198 -6.355 1.00 0.00 N ATOM 1329 CA CYS A 91 100.061 -11.231 -6.778 1.00 0.00 C ATOM 1330 C CYS A 91 98.980 -11.106 -5.700 1.00 0.00 C ATOM 1331 O CYS A 91 98.723 -10.034 -5.188 1.00 0.00 O ATOM 1332 CB CYS A 91 99.472 -11.821 -8.060 1.00 0.00 C ATOM 1333 SG CYS A 91 98.612 -10.521 -8.978 1.00 0.00 S ATOM 0 H CYS A 91 100.996 -13.149 -6.704 1.00 0.00 H new ATOM 0 HA CYS A 91 100.465 -10.231 -6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.264 -12.252 -8.673 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.781 -12.629 -7.818 1.00 0.00 H new ATOM 1338 N GLU A 92 98.344 -12.191 -5.352 1.00 0.00 N ATOM 1339 CA GLU A 92 97.282 -12.127 -4.309 1.00 0.00 C ATOM 1340 C GLU A 92 97.847 -11.520 -3.025 1.00 0.00 C ATOM 1341 O GLU A 92 97.153 -10.860 -2.278 1.00 0.00 O ATOM 1342 CB GLU A 92 96.864 -13.579 -4.078 1.00 0.00 C ATOM 1343 CG GLU A 92 95.742 -13.949 -5.050 1.00 0.00 C ATOM 1344 CD GLU A 92 94.427 -14.096 -4.280 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.086 -13.182 -3.548 1.00 0.00 O ATOM 1346 OE2 GLU A 92 93.785 -15.121 -4.437 1.00 0.00 O ATOM 0 H GLU A 92 98.514 -13.117 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 92 96.439 -11.506 -4.612 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.718 -14.241 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 92 96.527 -13.712 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.643 -13.181 -5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.982 -14.881 -5.562 1.00 0.00 H new ATOM 1353 N ALA A 93 99.107 -11.735 -2.766 1.00 0.00 N ATOM 1354 CA ALA A 93 99.720 -11.169 -1.531 1.00 0.00 C ATOM 1355 C ALA A 93 99.944 -9.663 -1.695 1.00 0.00 C ATOM 1356 O ALA A 93 99.776 -8.897 -0.768 1.00 0.00 O ATOM 1357 CB ALA A 93 101.055 -11.899 -1.378 1.00 0.00 C ATOM 0 H ALA A 93 99.738 -12.278 -3.355 1.00 0.00 H new ATOM 0 HA ALA A 93 99.083 -11.301 -0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.568 -11.536 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.875 -12.970 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.674 -11.712 -2.255 1.00 0.00 H new ATOM 1363 N PHE A 94 100.320 -9.233 -2.870 1.00 0.00 N ATOM 1364 CA PHE A 94 100.549 -7.776 -3.090 1.00 0.00 C ATOM 1365 C PHE A 94 99.220 -7.021 -3.009 1.00 0.00 C ATOM 1366 O PHE A 94 99.139 -5.943 -2.455 1.00 0.00 O ATOM 1367 CB PHE A 94 101.141 -7.673 -4.496 1.00 0.00 C ATOM 1368 CG PHE A 94 101.616 -6.260 -4.739 1.00 0.00 C ATOM 1369 CD1 PHE A 94 102.925 -5.892 -4.405 1.00 0.00 C ATOM 1370 CD2 PHE A 94 100.746 -5.318 -5.299 1.00 0.00 C ATOM 1371 CE1 PHE A 94 103.363 -4.583 -4.633 1.00 0.00 C ATOM 1372 CE2 PHE A 94 101.184 -4.008 -5.527 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.493 -3.639 -5.194 1.00 0.00 C ATOM 0 H PHE A 94 100.478 -9.826 -3.685 1.00 0.00 H new ATOM 0 HA PHE A 94 101.211 -7.342 -2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.971 -8.371 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.393 -7.949 -5.239 1.00 0.00 H new ATOM 0 HD1 PHE A 94 103.596 -6.618 -3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 94 99.736 -5.602 -5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 94 104.373 -4.300 -4.376 1.00 0.00 H new ATOM 0 HE2 PHE A 94 100.512 -3.282 -5.960 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.831 -2.628 -5.369 1.00 0.00 H new ATOM 1383 N ILE A 95 98.177 -7.584 -3.555 1.00 0.00 N ATOM 1384 CA ILE A 95 96.851 -6.906 -3.507 1.00 0.00 C ATOM 1385 C ILE A 95 96.337 -6.872 -2.067 1.00 0.00 C ATOM 1386 O ILE A 95 95.873 -5.857 -1.586 1.00 0.00 O ATOM 1387 CB ILE A 95 95.939 -7.762 -4.384 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.535 -7.857 -5.790 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.551 -7.121 -4.458 1.00 0.00 C ATOM 1390 CD1 ILE A 95 95.564 -8.601 -6.709 1.00 0.00 C ATOM 0 H ILE A 95 98.186 -8.485 -4.033 1.00 0.00 H new ATOM 0 HA ILE A 95 96.896 -5.874 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 95 95.852 -8.761 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 95 96.730 -6.859 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 95 97.492 -8.378 -5.756 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.901 -7.732 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.129 -7.051 -3.456 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.634 -6.123 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 95 95.990 -8.668 -7.710 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.392 -9.605 -6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 95 94.618 -8.061 -6.752 1.00 0.00 H new ATOM 1402 N CYS A 96 96.426 -7.972 -1.371 1.00 0.00 N ATOM 1403 CA CYS A 96 95.949 -8.000 0.040 1.00 0.00 C ATOM 1404 C CYS A 96 96.740 -6.987 0.874 1.00 0.00 C ATOM 1405 O CYS A 96 96.301 -6.549 1.919 1.00 0.00 O ATOM 1406 CB CYS A 96 96.221 -9.426 0.522 1.00 0.00 C ATOM 1407 SG CYS A 96 95.820 -9.561 2.283 1.00 0.00 S ATOM 0 H CYS A 96 96.808 -8.852 -1.718 1.00 0.00 H new ATOM 0 HA CYS A 96 94.895 -7.738 0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.624 -10.135 -0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 96 97.267 -9.683 0.356 1.00 0.00 H new ATOM 1412 N ASN A 97 97.903 -6.610 0.415 1.00 0.00 N ATOM 1413 CA ASN A 97 98.722 -5.624 1.176 1.00 0.00 C ATOM 1414 C ASN A 97 98.221 -4.204 0.902 1.00 0.00 C ATOM 1415 O ASN A 97 98.317 -3.329 1.739 1.00 0.00 O ATOM 1416 CB ASN A 97 100.147 -5.800 0.650 1.00 0.00 C ATOM 1417 CG ASN A 97 100.856 -6.884 1.452 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.318 -7.401 2.411 1.00 0.00 O ATOM 1419 ND2 ASN A 97 102.053 -7.252 1.097 1.00 0.00 N ATOM 0 H ASN A 97 98.321 -6.942 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 97 98.665 -5.782 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 97 100.125 -6.070 -0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.693 -4.860 0.728 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.541 -7.976 1.624 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.503 -6.817 0.292 1.00 0.00 H new ATOM 1426 N CYS A 98 97.683 -3.969 -0.264 1.00 0.00 N ATOM 1427 CA CYS A 98 97.171 -2.607 -0.591 1.00 0.00 C ATOM 1428 C CYS A 98 95.956 -2.280 0.281 1.00 0.00 C ATOM 1429 O CYS A 98 95.868 -1.222 0.871 1.00 0.00 O ATOM 1430 CB CYS A 98 96.772 -2.678 -2.065 1.00 0.00 C ATOM 1431 SG CYS A 98 98.218 -3.115 -3.063 1.00 0.00 S ATOM 0 H CYS A 98 97.576 -4.662 -1.005 1.00 0.00 H new ATOM 0 HA CYS A 98 97.913 -1.829 -0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.984 -3.418 -2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.369 -1.719 -2.390 1.00 0.00 H new ATOM 1436 N ASP A 99 95.020 -3.186 0.370 1.00 0.00 N ATOM 1437 CA ASP A 99 93.813 -2.934 1.208 1.00 0.00 C ATOM 1438 C ASP A 99 94.191 -2.993 2.690 1.00 0.00 C ATOM 1439 O ASP A 99 93.641 -2.288 3.513 1.00 0.00 O ATOM 1440 CB ASP A 99 92.847 -4.066 0.858 1.00 0.00 C ATOM 1441 CG ASP A 99 92.173 -3.768 -0.483 1.00 0.00 C ATOM 1442 OD1 ASP A 99 91.485 -2.763 -0.567 1.00 0.00 O ATOM 1443 OD2 ASP A 99 92.356 -4.548 -1.402 1.00 0.00 O ATOM 0 H ASP A 99 95.039 -4.090 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 99 93.374 -1.953 1.025 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.384 -5.013 0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 99 92.095 -4.171 1.640 1.00 0.00 H new ATOM 1448 N ARG A 100 95.131 -3.830 3.031 1.00 0.00 N ATOM 1449 CA ARG A 100 95.559 -3.944 4.454 1.00 0.00 C ATOM 1450 C ARG A 100 96.222 -2.644 4.908 1.00 0.00 C ATOM 1451 O ARG A 100 95.771 -1.988 5.824 1.00 0.00 O ATOM 1452 CB ARG A 100 96.573 -5.089 4.467 1.00 0.00 C ATOM 1453 CG ARG A 100 97.219 -5.187 5.850 1.00 0.00 C ATOM 1454 CD ARG A 100 96.578 -6.333 6.637 1.00 0.00 C ATOM 1455 NE ARG A 100 97.122 -7.575 6.029 1.00 0.00 N ATOM 1456 CZ ARG A 100 98.411 -7.730 5.891 1.00 0.00 C ATOM 1457 NH1 ARG A 100 99.023 -7.235 4.850 1.00 0.00 N ATOM 1458 NH2 ARG A 100 99.089 -8.386 6.794 1.00 0.00 N ATOM 0 H ARG A 100 95.624 -4.443 2.382 1.00 0.00 H new ATOM 0 HA ARG A 100 94.721 -4.129 5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 100 96.079 -6.028 4.218 1.00 0.00 H new ATOM 0 HB3 ARG A 100 97.337 -4.920 3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 100 98.291 -5.356 5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 100 97.093 -4.248 6.389 1.00 0.00 H new ATOM 0 HD2 ARG A 100 96.827 -6.271 7.696 1.00 0.00 H new ATOM 0 HD3 ARG A 100 95.491 -6.302 6.563 1.00 0.00 H new ATOM 0 HE ARG A 100 96.486 -8.309 5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 100 98.494 -6.726 4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 100 100.030 -7.357 4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 100 98.611 -8.777 7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 100 100.096 -8.508 6.687 1.00 0.00 H new ATOM 1472 N ASN A 101 97.293 -2.268 4.267 1.00 0.00 N ATOM 1473 CA ASN A 101 97.992 -1.010 4.651 1.00 0.00 C ATOM 1474 C ASN A 101 97.008 0.159 4.639 1.00 0.00 C ATOM 1475 O ASN A 101 97.181 1.139 5.337 1.00 0.00 O ATOM 1476 CB ASN A 101 99.066 -0.818 3.581 1.00 0.00 C ATOM 1477 CG ASN A 101 100.345 -1.533 4.004 1.00 0.00 C ATOM 1478 OD1 ASN A 101 100.413 -2.102 5.075 1.00 0.00 O ATOM 1479 ND2 ASN A 101 101.370 -1.528 3.201 1.00 0.00 N ATOM 0 H ASN A 101 97.715 -2.779 3.492 1.00 0.00 H new ATOM 0 HA ASN A 101 98.418 -1.058 5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.717 -1.211 2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 101 99.263 0.244 3.435 1.00 0.00 H new ATOM 0 HD21 ASN A 101 102.232 -2.002 3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 101 101.311 -1.050 2.302 1.00 0.00 H new ATOM 1486 N ALA A 102 95.977 0.063 3.848 1.00 0.00 N ATOM 1487 CA ALA A 102 94.978 1.168 3.785 1.00 0.00 C ATOM 1488 C ALA A 102 94.091 1.153 5.034 1.00 0.00 C ATOM 1489 O ALA A 102 93.838 2.176 5.638 1.00 0.00 O ATOM 1490 CB ALA A 102 94.148 0.881 2.536 1.00 0.00 C ATOM 0 H ALA A 102 95.782 -0.733 3.241 1.00 0.00 H new ATOM 0 HA ALA A 102 95.451 2.149 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 102 93.387 1.653 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.798 0.876 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.666 -0.091 2.635 1.00 0.00 H new ATOM 1496 N ALA A 103 93.617 0.001 5.423 1.00 0.00 N ATOM 1497 CA ALA A 103 92.745 -0.076 6.632 1.00 0.00 C ATOM 1498 C ALA A 103 93.557 0.236 7.891 1.00 0.00 C ATOM 1499 O ALA A 103 93.060 0.826 8.829 1.00 0.00 O ATOM 1500 CB ALA A 103 92.237 -1.519 6.665 1.00 0.00 C ATOM 0 H ALA A 103 93.795 -0.889 4.958 1.00 0.00 H new ATOM 0 HA ALA A 103 91.926 0.643 6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.586 -1.656 7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.678 -1.729 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 103 93.084 -2.201 6.737 1.00 0.00 H new ATOM 1506 N ILE A 104 94.800 -0.155 7.919 1.00 0.00 N ATOM 1507 CA ILE A 104 95.637 0.123 9.120 1.00 0.00 C ATOM 1508 C ILE A 104 95.922 1.622 9.229 1.00 0.00 C ATOM 1509 O ILE A 104 96.066 2.158 10.311 1.00 0.00 O ATOM 1510 CB ILE A 104 96.934 -0.649 8.887 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.612 -2.128 8.662 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.840 -0.506 10.111 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.849 -2.846 8.122 1.00 0.00 C ATOM 0 H ILE A 104 95.272 -0.654 7.165 1.00 0.00 H new ATOM 0 HA ILE A 104 95.143 -0.177 10.044 1.00 0.00 H new ATOM 0 HB ILE A 104 97.443 -0.249 8.010 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.292 -2.587 9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.785 -2.228 7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.766 -1.057 9.945 1.00 0.00 H new ATOM 0 HG22 ILE A 104 98.069 0.547 10.273 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.332 -0.906 10.988 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.618 -3.899 7.962 1.00 0.00 H new ATOM 0 HD12 ILE A 104 98.149 -2.393 7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.663 -2.758 8.841 1.00 0.00 H new ATOM 1525 N CYS A 105 96.005 2.302 8.119 1.00 0.00 N ATOM 1526 CA CYS A 105 96.282 3.766 8.167 1.00 0.00 C ATOM 1527 C CYS A 105 95.096 4.500 8.798 1.00 0.00 C ATOM 1528 O CYS A 105 95.265 5.355 9.644 1.00 0.00 O ATOM 1529 CB CYS A 105 96.469 4.189 6.710 1.00 0.00 C ATOM 1530 SG CYS A 105 97.401 5.741 6.653 1.00 0.00 S ATOM 0 H CYS A 105 95.894 1.910 7.184 1.00 0.00 H new ATOM 0 HA CYS A 105 97.160 4.003 8.768 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.999 3.412 6.159 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.499 4.316 6.229 1.00 0.00 H new ATOM 1535 N PHE A 106 93.894 4.167 8.405 1.00 0.00 N ATOM 1536 CA PHE A 106 92.710 4.841 8.997 1.00 0.00 C ATOM 1537 C PHE A 106 92.744 4.684 10.513 1.00 0.00 C ATOM 1538 O PHE A 106 92.537 5.623 11.257 1.00 0.00 O ATOM 1539 CB PHE A 106 91.493 4.112 8.425 1.00 0.00 C ATOM 1540 CG PHE A 106 91.623 3.970 6.926 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.256 4.966 6.175 1.00 0.00 C ATOM 1542 CD2 PHE A 106 91.101 2.837 6.289 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.367 4.830 4.785 1.00 0.00 C ATOM 1544 CE2 PHE A 106 91.211 2.702 4.900 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.844 3.698 4.148 1.00 0.00 C ATOM 0 H PHE A 106 93.685 3.459 7.701 1.00 0.00 H new ATOM 0 HA PHE A 106 92.686 5.906 8.768 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.402 3.127 8.884 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.584 4.662 8.667 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.659 5.839 6.666 1.00 0.00 H new ATOM 0 HD2 PHE A 106 90.614 2.068 6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.856 5.598 4.205 1.00 0.00 H new ATOM 0 HE2 PHE A 106 90.807 1.829 4.409 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.929 3.594 3.076 1.00 0.00 H new ATOM 1555 N SER A 107 93.004 3.493 10.973 1.00 0.00 N ATOM 1556 CA SER A 107 93.054 3.248 12.441 1.00 0.00 C ATOM 1557 C SER A 107 94.316 3.873 13.040 1.00 0.00 C ATOM 1558 O SER A 107 94.442 4.010 14.242 1.00 0.00 O ATOM 1559 CB SER A 107 93.086 1.728 12.588 1.00 0.00 C ATOM 1560 OG SER A 107 94.420 1.268 12.416 1.00 0.00 O ATOM 0 H SER A 107 93.185 2.674 10.392 1.00 0.00 H new ATOM 0 HA SER A 107 92.205 3.690 12.962 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.713 1.438 13.570 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.431 1.266 11.849 1.00 0.00 H new ATOM 0 HG SER A 107 94.810 1.685 11.619 1.00 0.00 H new ATOM 1566 N LYS A 108 95.249 4.261 12.215 1.00 0.00 N ATOM 1567 CA LYS A 108 96.496 4.882 12.742 1.00 0.00 C ATOM 1568 C LYS A 108 96.384 6.406 12.680 1.00 0.00 C ATOM 1569 O LYS A 108 97.227 7.123 13.182 1.00 0.00 O ATOM 1570 CB LYS A 108 97.611 4.384 11.822 1.00 0.00 C ATOM 1571 CG LYS A 108 97.969 2.942 12.187 1.00 0.00 C ATOM 1572 CD LYS A 108 99.340 2.910 12.865 1.00 0.00 C ATOM 1573 CE LYS A 108 99.483 1.615 13.667 1.00 0.00 C ATOM 1574 NZ LYS A 108 100.047 2.036 14.980 1.00 0.00 N ATOM 0 H LYS A 108 95.202 4.175 11.200 1.00 0.00 H new ATOM 0 HA LYS A 108 96.685 4.617 13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.290 4.438 10.782 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.489 5.023 11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.213 2.526 12.853 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.981 2.321 11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 108 100.129 2.975 12.116 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.452 3.772 13.523 1.00 0.00 H new ATOM 0 HE2 LYS A 108 98.520 1.119 13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 108 100.142 0.909 13.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 100.174 1.201 15.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 100.966 2.499 14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 99.395 2.703 15.440 1.00 0.00 H new ATOM 1588 N VAL A 109 95.345 6.905 12.069 1.00 0.00 N ATOM 1589 CA VAL A 109 95.171 8.381 11.976 1.00 0.00 C ATOM 1590 C VAL A 109 93.756 8.771 12.410 1.00 0.00 C ATOM 1591 O VAL A 109 92.868 7.944 12.450 1.00 0.00 O ATOM 1592 CB VAL A 109 95.392 8.713 10.500 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.811 8.312 10.092 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.381 7.943 9.647 1.00 0.00 C ATOM 0 H VAL A 109 94.608 6.353 11.630 1.00 0.00 H new ATOM 0 HA VAL A 109 95.862 8.922 12.622 1.00 0.00 H new ATOM 0 HB VAL A 109 95.259 9.784 10.346 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.968 8.549 9.040 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.532 8.859 10.699 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.945 7.241 10.247 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.538 8.179 8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.514 6.872 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.369 8.228 9.936 1.00 0.00 H new ATOM 1604 N PRO A 110 93.598 10.027 12.724 1.00 0.00 N ATOM 1605 CA PRO A 110 92.279 10.543 13.165 1.00 0.00 C ATOM 1606 C PRO A 110 91.318 10.640 11.976 1.00 0.00 C ATOM 1607 O PRO A 110 91.713 10.501 10.836 1.00 0.00 O ATOM 1608 CB PRO A 110 92.606 11.928 13.720 1.00 0.00 C ATOM 1609 CG PRO A 110 93.868 12.336 13.029 1.00 0.00 C ATOM 1610 CD PRO A 110 94.623 11.075 12.698 1.00 0.00 C ATOM 0 HA PRO A 110 91.788 9.902 13.897 1.00 0.00 H new ATOM 0 HB2 PRO A 110 91.800 12.634 13.519 1.00 0.00 H new ATOM 0 HB3 PRO A 110 92.740 11.898 14.801 1.00 0.00 H new ATOM 0 HG2 PRO A 110 93.645 12.900 12.123 1.00 0.00 H new ATOM 0 HG3 PRO A 110 94.465 12.985 13.670 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.101 11.141 11.720 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.411 10.880 13.425 1.00 0.00 H new ATOM 1618 N TYR A 111 90.060 10.875 12.233 1.00 0.00 N ATOM 1619 CA TYR A 111 89.079 10.978 11.115 1.00 0.00 C ATOM 1620 C TYR A 111 88.228 12.241 11.271 1.00 0.00 C ATOM 1621 O TYR A 111 87.361 12.316 12.119 1.00 0.00 O ATOM 1622 CB TYR A 111 88.205 9.729 11.237 1.00 0.00 C ATOM 1623 CG TYR A 111 86.972 9.889 10.380 1.00 0.00 C ATOM 1624 CD1 TYR A 111 87.100 10.174 9.016 1.00 0.00 C ATOM 1625 CD2 TYR A 111 85.699 9.752 10.950 1.00 0.00 C ATOM 1626 CE1 TYR A 111 85.957 10.322 8.220 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.556 9.901 10.154 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.686 10.186 8.790 1.00 0.00 C ATOM 1629 OH TYR A 111 83.558 10.331 8.006 1.00 0.00 O ATOM 0 H TYR A 111 89.670 11.000 13.167 1.00 0.00 H new ATOM 0 HA TYR A 111 89.569 11.041 10.143 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.766 8.848 10.924 1.00 0.00 H new ATOM 0 HB3 TYR A 111 87.920 9.573 12.277 1.00 0.00 H new ATOM 0 HD1 TYR A 111 88.081 10.280 8.577 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.599 9.532 12.003 1.00 0.00 H new ATOM 0 HE1 TYR A 111 86.056 10.541 7.167 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.575 9.796 10.593 1.00 0.00 H new ATOM 0 HH TYR A 111 83.079 9.477 7.960 1.00 0.00 H new ATOM 1639 N ASN A 112 88.468 13.235 10.461 1.00 0.00 N ATOM 1640 CA ASN A 112 87.668 14.489 10.567 1.00 0.00 C ATOM 1641 C ASN A 112 86.355 14.344 9.792 1.00 0.00 C ATOM 1642 O ASN A 112 86.309 14.514 8.589 1.00 0.00 O ATOM 1643 CB ASN A 112 88.548 15.575 9.944 1.00 0.00 C ATOM 1644 CG ASN A 112 89.894 15.621 10.672 1.00 0.00 C ATOM 1645 OD1 ASN A 112 89.987 16.126 11.773 1.00 0.00 O ATOM 1646 ND2 ASN A 112 90.949 15.109 10.098 1.00 0.00 N ATOM 0 H ASN A 112 89.181 13.234 9.732 1.00 0.00 H new ATOM 0 HA ASN A 112 87.402 14.726 11.597 1.00 0.00 H new ATOM 0 HB2 ASN A 112 88.702 15.370 8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.052 16.543 10.012 1.00 0.00 H new ATOM 0 HD21 ASN A 112 91.851 15.133 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 112 90.871 14.685 9.174 1.00 0.00 H new ATOM 1653 N LYS A 113 85.288 14.028 10.474 1.00 0.00 N ATOM 1654 CA LYS A 113 83.976 13.868 9.781 1.00 0.00 C ATOM 1655 C LYS A 113 83.701 15.072 8.874 1.00 0.00 C ATOM 1656 O LYS A 113 82.925 14.994 7.942 1.00 0.00 O ATOM 1657 CB LYS A 113 82.943 13.801 10.907 1.00 0.00 C ATOM 1658 CG LYS A 113 83.189 12.550 11.756 1.00 0.00 C ATOM 1659 CD LYS A 113 82.694 12.795 13.183 1.00 0.00 C ATOM 1660 CE LYS A 113 81.611 11.770 13.534 1.00 0.00 C ATOM 1661 NZ LYS A 113 82.347 10.624 14.140 1.00 0.00 N ATOM 0 H LYS A 113 85.267 13.873 11.482 1.00 0.00 H new ATOM 0 HA LYS A 113 83.951 12.982 9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 113 83.010 14.694 11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 113 81.936 13.778 10.490 1.00 0.00 H new ATOM 0 HG2 LYS A 113 82.670 11.695 11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 113 84.252 12.307 11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 113 83.524 12.717 13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 113 82.295 13.806 13.272 1.00 0.00 H new ATOM 0 HE2 LYS A 113 80.885 12.186 14.232 1.00 0.00 H new ATOM 0 HE3 LYS A 113 81.059 11.460 12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 81.671 9.880 14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 83.026 10.244 13.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 82.858 10.948 14.986 1.00 0.00 H new ATOM 1675 N GLU A 114 84.321 16.187 9.146 1.00 0.00 N ATOM 1676 CA GLU A 114 84.089 17.393 8.311 1.00 0.00 C ATOM 1677 C GLU A 114 84.832 17.281 6.975 1.00 0.00 C ATOM 1678 O GLU A 114 84.658 18.094 6.089 1.00 0.00 O ATOM 1679 CB GLU A 114 84.640 18.557 9.135 1.00 0.00 C ATOM 1680 CG GLU A 114 83.818 19.818 8.853 1.00 0.00 C ATOM 1681 CD GLU A 114 84.364 20.983 9.680 1.00 0.00 C ATOM 1682 OE1 GLU A 114 85.351 21.567 9.265 1.00 0.00 O ATOM 1683 OE2 GLU A 114 83.785 21.271 10.714 1.00 0.00 O ATOM 0 H GLU A 114 84.980 16.313 9.914 1.00 0.00 H new ATOM 0 HA GLU A 114 83.034 17.523 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 114 84.601 18.315 10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 114 85.687 18.729 8.885 1.00 0.00 H new ATOM 0 HG2 GLU A 114 83.860 20.062 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 114 82.770 19.644 9.099 1.00 0.00 H new ATOM 1690 N HIS A 115 85.661 16.286 6.823 1.00 0.00 N ATOM 1691 CA HIS A 115 86.414 16.131 5.545 1.00 0.00 C ATOM 1692 C HIS A 115 85.697 15.146 4.620 1.00 0.00 C ATOM 1693 O HIS A 115 86.171 14.829 3.546 1.00 0.00 O ATOM 1694 CB HIS A 115 87.779 15.584 5.954 1.00 0.00 C ATOM 1695 CG HIS A 115 88.720 16.728 6.210 1.00 0.00 C ATOM 1696 ND1 HIS A 115 88.656 17.793 7.075 1.00 0.00 N flip ATOM 1697 CD2 HIS A 115 89.913 16.871 5.520 1.00 0.00 C flip ATOM 1698 CE1 HIS A 115 89.791 18.585 6.925 1.00 0.00 C flip ATOM 1699 NE2 HIS A 115 90.514 17.985 5.975 1.00 0.00 N flip ATOM 0 H HIS A 115 85.850 15.573 7.528 1.00 0.00 H new ATOM 0 HA HIS A 115 86.497 17.072 5.000 1.00 0.00 H new ATOM 0 HB2 HIS A 115 87.683 14.970 6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.176 14.941 5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 115 90.292 16.208 4.756 1.00 0.00 H new ATOM 0 HE1 HIS A 115 90.035 19.490 7.461 1.00 0.00 H new ATOM 0 HE2 HIS A 115 91.412 18.330 5.636 1.00 0.00 H new ATOM 1707 N LYS A 116 84.560 14.656 5.027 1.00 0.00 N ATOM 1708 CA LYS A 116 83.814 13.693 4.182 1.00 0.00 C ATOM 1709 C LYS A 116 83.187 14.408 2.980 1.00 0.00 C ATOM 1710 O LYS A 116 82.684 15.507 3.093 1.00 0.00 O ATOM 1711 CB LYS A 116 82.736 13.156 5.114 1.00 0.00 C ATOM 1712 CG LYS A 116 82.439 11.703 4.768 1.00 0.00 C ATOM 1713 CD LYS A 116 81.075 11.309 5.337 1.00 0.00 C ATOM 1714 CE LYS A 116 81.269 10.301 6.473 1.00 0.00 C ATOM 1715 NZ LYS A 116 79.937 9.661 6.653 1.00 0.00 N ATOM 0 H LYS A 116 84.115 14.885 5.916 1.00 0.00 H new ATOM 0 HA LYS A 116 84.447 12.906 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.065 13.234 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 116 81.830 13.755 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 116 82.446 11.567 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 116 83.215 11.055 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 116 80.553 12.192 5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.453 10.875 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 116 82.030 9.563 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 116 81.596 10.795 7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 79.991 8.957 7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 79.234 10.386 6.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 79.655 9.192 5.769 1.00 0.00 H new ATOM 1729 N ASN A 117 83.213 13.790 1.829 1.00 0.00 N ATOM 1730 CA ASN A 117 82.613 14.433 0.623 1.00 0.00 C ATOM 1731 C ASN A 117 83.219 15.822 0.401 1.00 0.00 C ATOM 1732 O ASN A 117 82.544 16.827 0.507 1.00 0.00 O ATOM 1733 CB ASN A 117 81.121 14.544 0.934 1.00 0.00 C ATOM 1734 CG ASN A 117 80.423 13.238 0.554 1.00 0.00 C ATOM 1735 OD1 ASN A 117 79.995 13.068 -0.572 1.00 0.00 O ATOM 1736 ND2 ASN A 117 80.287 12.300 1.450 1.00 0.00 N ATOM 0 H ASN A 117 83.623 12.869 1.672 1.00 0.00 H new ATOM 0 HA ASN A 117 82.800 13.859 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.974 14.752 1.994 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.684 15.376 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 117 79.822 11.425 1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 117 80.645 12.441 2.394 1.00 0.00 H new ATOM 1743 N LEU A 118 84.484 15.886 0.091 1.00 0.00 N ATOM 1744 CA LEU A 118 85.137 17.179 -0.141 1.00 0.00 C ATOM 1745 C LEU A 118 84.776 17.687 -1.539 1.00 0.00 C ATOM 1746 O LEU A 118 84.169 16.989 -2.328 1.00 0.00 O ATOM 1747 CB LEU A 118 86.619 16.830 -0.008 1.00 0.00 C ATOM 1748 CG LEU A 118 87.488 17.773 -0.822 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.599 19.126 -0.114 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.886 17.166 -0.969 1.00 0.00 C ATOM 0 H LEU A 118 85.094 15.075 -0.010 1.00 0.00 H new ATOM 0 HA LEU A 118 84.842 17.975 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.912 16.877 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.784 15.805 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 118 87.038 17.918 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 118 88.224 19.796 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.606 19.561 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 118 88.047 18.986 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.515 17.838 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.326 17.023 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.814 16.204 -1.477 1.00 0.00 H new ATOM 1762 N ASP A 119 85.140 18.892 -1.843 1.00 0.00 N ATOM 1763 CA ASP A 119 84.820 19.462 -3.184 1.00 0.00 C ATOM 1764 C ASP A 119 86.001 19.282 -4.143 1.00 0.00 C ATOM 1765 O ASP A 119 87.099 19.733 -3.881 1.00 0.00 O ATOM 1766 CB ASP A 119 84.561 20.947 -2.929 1.00 0.00 C ATOM 1767 CG ASP A 119 83.768 21.537 -4.096 1.00 0.00 C ATOM 1768 OD1 ASP A 119 83.711 20.897 -5.132 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.230 22.621 -3.933 1.00 0.00 O ATOM 0 H ASP A 119 85.650 19.517 -1.219 1.00 0.00 H new ATOM 0 HA ASP A 119 83.965 18.968 -3.645 1.00 0.00 H new ATOM 0 HB2 ASP A 119 84.008 21.076 -1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.507 21.477 -2.814 1.00 0.00 H new ATOM 1774 N LYS A 120 85.783 18.632 -5.254 1.00 0.00 N ATOM 1775 CA LYS A 120 86.888 18.429 -6.230 1.00 0.00 C ATOM 1776 C LYS A 120 87.546 19.770 -6.572 1.00 0.00 C ATOM 1777 O LYS A 120 88.656 19.819 -7.067 1.00 0.00 O ATOM 1778 CB LYS A 120 86.219 17.827 -7.467 1.00 0.00 C ATOM 1779 CG LYS A 120 86.220 16.302 -7.355 1.00 0.00 C ATOM 1780 CD LYS A 120 85.663 15.693 -8.643 1.00 0.00 C ATOM 1781 CE LYS A 120 85.992 14.198 -8.684 1.00 0.00 C ATOM 1782 NZ LYS A 120 85.012 13.617 -9.642 1.00 0.00 N ATOM 0 H LYS A 120 84.885 18.233 -5.527 1.00 0.00 H new ATOM 0 HA LYS A 120 87.673 17.783 -5.837 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.197 18.195 -7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.749 18.137 -8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 120 87.233 15.941 -7.178 1.00 0.00 H new ATOM 0 HG3 LYS A 120 85.617 15.989 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 120 84.584 15.840 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 120 86.092 16.195 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 120 87.017 14.028 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 120 85.896 13.745 -7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 85.173 12.593 -9.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 84.046 13.789 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 85.132 14.063 -10.574 1.00 0.00 H new ATOM 1796 N LYS A 121 86.871 20.857 -6.311 1.00 0.00 N ATOM 1797 CA LYS A 121 87.452 22.198 -6.616 1.00 0.00 C ATOM 1798 C LYS A 121 88.706 22.442 -5.785 1.00 0.00 C ATOM 1799 O LYS A 121 89.467 23.355 -6.033 1.00 0.00 O ATOM 1800 CB LYS A 121 86.368 23.188 -6.223 1.00 0.00 C ATOM 1801 CG LYS A 121 85.709 23.734 -7.480 1.00 0.00 C ATOM 1802 CD LYS A 121 86.586 24.836 -8.077 1.00 0.00 C ATOM 1803 CE LYS A 121 85.696 25.929 -8.677 1.00 0.00 C ATOM 1804 NZ LYS A 121 86.131 27.187 -8.012 1.00 0.00 N ATOM 0 H LYS A 121 85.938 20.875 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 121 87.742 22.288 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 121 85.625 22.701 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 121 86.797 24.003 -5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 121 85.567 22.934 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 121 84.721 24.129 -7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 121 87.231 25.259 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 121 87.238 24.420 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 121 85.821 25.990 -9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 121 84.642 25.727 -8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 85.566 27.983 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 85.994 27.102 -6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 87.137 27.357 -8.215 1.00 0.00 H new ATOM 1818 N ASN A 122 88.933 21.608 -4.825 1.00 0.00 N ATOM 1819 CA ASN A 122 90.148 21.742 -3.982 1.00 0.00 C ATOM 1820 C ASN A 122 91.223 20.842 -4.567 1.00 0.00 C ATOM 1821 O ASN A 122 92.381 20.894 -4.204 1.00 0.00 O ATOM 1822 CB ASN A 122 89.729 21.232 -2.608 1.00 0.00 C ATOM 1823 CG ASN A 122 89.208 22.389 -1.755 1.00 0.00 C ATOM 1824 OD1 ASN A 122 89.885 22.851 -0.858 1.00 0.00 O ATOM 1825 ND2 ASN A 122 88.024 22.881 -1.998 1.00 0.00 N ATOM 0 H ASN A 122 88.324 20.827 -4.581 1.00 0.00 H new ATOM 0 HA ASN A 122 90.534 22.760 -3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.956 20.471 -2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 122 90.577 20.758 -2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 122 87.667 23.653 -1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 122 87.455 22.493 -2.751 1.00 0.00 H new ATOM 1832 N CYS A 123 90.815 20.005 -5.472 1.00 0.00 N ATOM 1833 CA CYS A 123 91.751 19.058 -6.116 1.00 0.00 C ATOM 1834 C CYS A 123 91.987 19.452 -7.577 1.00 0.00 C ATOM 1835 O CYS A 123 91.901 20.633 -7.872 1.00 0.00 O ATOM 1836 CB CYS A 123 91.022 17.724 -6.022 1.00 0.00 C ATOM 1837 SG CYS A 123 91.508 16.872 -4.502 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.247 18.567 -8.374 1.00 0.00 O ATOM 0 H CYS A 123 89.851 19.938 -5.798 1.00 0.00 H new ATOM 0 HA CYS A 123 92.735 19.036 -5.647 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.944 17.886 -6.031 1.00 0.00 H new ATOM 0 HB3 CYS A 123 91.259 17.107 -6.889 1.00 0.00 H new