USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=29 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= 0.735 K(o=0.83,f=-2.7) USER MOD Set 1.2: A 117 ASN : amide:sc= 0.0993! C(o=0.83!,f=-2.8!) USER MOD Set 2.1: A 111 TYR OH : rot 10:sc= 0.065 USER MOD Set 2.2: A 116 LYS NZ :NH3+ 160:sc= 1.43 (180deg=1.02) USER MOD Set 3.1: A 85 SER OG : rot -27:sc= -0.251! USER MOD Set 3.2: A 88 ASN : amide:sc= -1.81 K(o=-2.1,f=-3) USER MOD Set 4.1: A 48 HIS : no HD1:sc= -3.73! C(o=-3!,f=-7.4!) USER MOD Set 4.2: A 52 TYR OH : rot 13:sc= 0.684 USER MOD Set 5.1: A 28 TYR OH : rot 130:sc= 1.04 USER MOD Set 5.2: A 46 GLN : amide:sc= -2.17 K(o=-1.1,f=-3.8!) USER MOD Single : A 4 GLN : amide:sc= -0.285 K(o=-0.29,f=-2.4!) USER MOD Single : A 6 ASN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 8 MET CE :methyl 153:sc= -0.814 (180deg=-2.4!) USER MOD Single : A 10 LYS NZ :NH3+ 145:sc= -0.205 (180deg=-1.41) USER MOD Single : A 12 LYS NZ :NH3+ -172:sc= -0.0175 (180deg=-0.158) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.7!) USER MOD Single : A 25 TYR OH : rot -100:sc= -0.167 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 47 THR OG1 : rot 80:sc= 0.377 USER MOD Single : A 50 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.077) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0448 X(o=-0.045,f=-0.44) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0286) USER MOD Single : A 60 SER OG : rot -120:sc= -0.055 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.051 USER MOD Single : A 71 ASN : amide:sc= -1.78 K(o=-1.8,f=-7.3!) USER MOD Single : A 72 ASN : amide:sc= -0.653! K(o=-0.65!,f=-1.3) USER MOD Single : A 73 TYR OH : rot 166:sc= 0.17 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot -71:sc= 0.0093 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.44 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.391 F(o=-2!,f=-0.39) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.9! C(o=-1.9!,f=-16!) USER MOD Single : A 97 ASN : amide:sc= -0.0819 K(o=-0.082,f=-2.2!) USER MOD Single : A 101 ASN : amide:sc= -0.812 K(o=-0.81,f=-2.5!) USER MOD Single : A 107 SER OG : rot -41:sc= 1.19 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN :FLIP amide:sc= -1.15 F(o=-2.4!,f=-1.1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS :FLIP no HD1:sc= -0.0914 F(o=-1.4,f=-0.091) 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 :FLIP amide:sc= -1.69! C(o=-2.6!,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 85.459 -5.867 -4.417 1.00 0.00 N ATOM 14 CA LEU A 2 85.170 -4.625 -3.643 1.00 0.00 C ATOM 15 C LEU A 2 84.411 -4.963 -2.357 1.00 0.00 C ATOM 16 O LEU A 2 83.936 -4.089 -1.659 1.00 0.00 O ATOM 17 CB LEU A 2 84.305 -3.774 -4.570 1.00 0.00 C ATOM 18 CG LEU A 2 85.208 -2.939 -5.481 1.00 0.00 C ATOM 19 CD1 LEU A 2 84.350 -2.163 -6.482 1.00 0.00 C ATOM 20 CD2 LEU A 2 86.015 -1.955 -4.633 1.00 0.00 C ATOM 0 HA LEU A 2 86.080 -4.105 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 2 83.656 -4.413 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 2 83.657 -3.122 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 2 85.887 -3.599 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 2 84.994 -1.569 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 2 83.774 -2.863 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 2 83.670 -1.503 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 2 86.659 -1.360 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 2 85.334 -1.297 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 2 86.628 -2.507 -3.920 1.00 0.00 H new ATOM 32 N TRP A 3 84.304 -6.221 -2.032 1.00 0.00 N ATOM 33 CA TRP A 3 83.586 -6.609 -0.779 1.00 0.00 C ATOM 34 C TRP A 3 84.608 -6.992 0.295 1.00 0.00 C ATOM 35 O TRP A 3 84.331 -6.945 1.476 1.00 0.00 O ATOM 36 CB TRP A 3 82.685 -7.820 -1.110 1.00 0.00 C ATOM 37 CG TRP A 3 82.800 -8.223 -2.550 1.00 0.00 C ATOM 38 CD1 TRP A 3 83.779 -9.003 -3.064 1.00 0.00 C ATOM 39 CD2 TRP A 3 81.919 -7.891 -3.663 1.00 0.00 C ATOM 40 NE1 TRP A 3 83.558 -9.166 -4.419 1.00 0.00 N ATOM 41 CE2 TRP A 3 82.423 -8.501 -4.835 1.00 0.00 C ATOM 42 CE3 TRP A 3 80.743 -7.126 -3.769 1.00 0.00 C ATOM 43 CZ2 TRP A 3 81.787 -8.359 -6.068 1.00 0.00 C ATOM 44 CZ3 TRP A 3 80.099 -6.980 -5.009 1.00 0.00 C ATOM 45 CH2 TRP A 3 80.621 -7.596 -6.155 1.00 0.00 C ATOM 0 H TRP A 3 84.680 -6.998 -2.576 1.00 0.00 H new ATOM 0 HA TRP A 3 82.983 -5.782 -0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 3 82.959 -8.662 -0.474 1.00 0.00 H new ATOM 0 HB3 TRP A 3 81.648 -7.574 -0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 3 84.600 -9.429 -2.506 1.00 0.00 H new ATOM 0 HE1 TRP A 3 84.160 -9.711 -5.036 1.00 0.00 H new ATOM 0 HE3 TRP A 3 80.333 -6.648 -2.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 82.193 -8.835 -6.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 79.197 -6.390 -5.080 1.00 0.00 H new ATOM 0 HH2 TRP A 3 80.121 -7.480 -7.105 1.00 0.00 H new ATOM 56 N GLN A 4 85.791 -7.366 -0.112 1.00 0.00 N ATOM 57 CA GLN A 4 86.836 -7.749 0.879 1.00 0.00 C ATOM 58 C GLN A 4 87.493 -6.493 1.459 1.00 0.00 C ATOM 59 O GLN A 4 87.626 -6.346 2.659 1.00 0.00 O ATOM 60 CB GLN A 4 87.853 -8.568 0.082 1.00 0.00 C ATOM 61 CG GLN A 4 87.228 -9.906 -0.318 1.00 0.00 C ATOM 62 CD GLN A 4 87.796 -10.351 -1.667 1.00 0.00 C ATOM 63 OE1 GLN A 4 88.614 -9.669 -2.250 1.00 0.00 O ATOM 64 NE2 GLN A 4 87.393 -11.475 -2.192 1.00 0.00 N ATOM 0 H GLN A 4 86.079 -7.423 -1.089 1.00 0.00 H new ATOM 0 HA GLN A 4 86.428 -8.312 1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 4 88.162 -8.018 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 4 88.749 -8.737 0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 4 87.436 -10.659 0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 4 86.144 -9.809 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 4 86.706 -12.049 -1.703 1.00 0.00 H new ATOM 0 HE22 GLN A 4 87.765 -11.780 -3.091 1.00 0.00 H new ATOM 73 N PHE A 5 87.904 -5.586 0.616 1.00 0.00 N ATOM 74 CA PHE A 5 88.551 -4.338 1.116 1.00 0.00 C ATOM 75 C PHE A 5 87.711 -3.726 2.239 1.00 0.00 C ATOM 76 O PHE A 5 88.218 -3.366 3.282 1.00 0.00 O ATOM 77 CB PHE A 5 88.593 -3.406 -0.095 1.00 0.00 C ATOM 78 CG PHE A 5 89.132 -2.058 0.318 1.00 0.00 C ATOM 79 CD1 PHE A 5 90.301 -1.973 1.086 1.00 0.00 C ATOM 80 CD2 PHE A 5 88.464 -0.891 -0.069 1.00 0.00 C ATOM 81 CE1 PHE A 5 90.799 -0.721 1.466 1.00 0.00 C ATOM 82 CE2 PHE A 5 88.962 0.361 0.311 1.00 0.00 C ATOM 83 CZ PHE A 5 90.130 0.446 1.078 1.00 0.00 C ATOM 0 H PHE A 5 87.820 -5.654 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 5 89.545 -4.518 1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 5 89.221 -3.836 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 5 87.593 -3.295 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 5 90.818 -2.873 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 5 87.563 -0.956 -0.661 1.00 0.00 H new ATOM 0 HE1 PHE A 5 91.699 -0.655 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 5 88.445 1.261 0.012 1.00 0.00 H new ATOM 0 HZ PHE A 5 90.515 1.412 1.370 1.00 0.00 H new ATOM 93 N ASN A 6 86.427 -3.608 2.034 1.00 0.00 N ATOM 94 CA ASN A 6 85.553 -3.023 3.090 1.00 0.00 C ATOM 95 C ASN A 6 85.569 -3.912 4.337 1.00 0.00 C ATOM 96 O ASN A 6 85.754 -3.445 5.442 1.00 0.00 O ATOM 97 CB ASN A 6 84.156 -2.989 2.471 1.00 0.00 C ATOM 98 CG ASN A 6 83.889 -1.600 1.892 1.00 0.00 C ATOM 99 OD1 ASN A 6 84.041 -1.383 0.707 1.00 0.00 O ATOM 100 ND2 ASN A 6 83.492 -0.643 2.684 1.00 0.00 N ATOM 0 H ASN A 6 85.946 -3.892 1.181 1.00 0.00 H new ATOM 0 HA ASN A 6 85.884 -2.032 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 6 84.075 -3.743 1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 6 83.407 -3.231 3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 6 83.309 0.287 2.308 1.00 0.00 H new ATOM 0 HD22 ASN A 6 83.364 -0.825 3.679 1.00 0.00 H new ATOM 107 N GLY A 7 85.376 -5.192 4.166 1.00 0.00 N ATOM 108 CA GLY A 7 85.382 -6.110 5.340 1.00 0.00 C ATOM 109 C GLY A 7 86.655 -5.883 6.155 1.00 0.00 C ATOM 110 O GLY A 7 86.643 -5.926 7.369 1.00 0.00 O ATOM 0 H GLY A 7 85.215 -5.641 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 7 84.503 -5.931 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 7 85.331 -7.146 5.006 1.00 0.00 H new ATOM 114 N MET A 8 87.756 -5.639 5.497 1.00 0.00 N ATOM 115 CA MET A 8 89.028 -5.407 6.237 1.00 0.00 C ATOM 116 C MET A 8 88.931 -4.122 7.064 1.00 0.00 C ATOM 117 O MET A 8 89.347 -4.074 8.204 1.00 0.00 O ATOM 118 CB MET A 8 90.101 -5.270 5.156 1.00 0.00 C ATOM 119 CG MET A 8 90.397 -6.644 4.550 1.00 0.00 C ATOM 120 SD MET A 8 92.091 -6.669 3.914 1.00 0.00 S ATOM 121 CE MET A 8 92.166 -8.436 3.529 1.00 0.00 C ATOM 0 H MET A 8 87.829 -5.590 4.481 1.00 0.00 H new ATOM 0 HA MET A 8 89.254 -6.216 6.932 1.00 0.00 H new ATOM 0 HB2 MET A 8 89.764 -4.584 4.379 1.00 0.00 H new ATOM 0 HB3 MET A 8 91.010 -4.846 5.583 1.00 0.00 H new ATOM 0 HG2 MET A 8 90.268 -7.421 5.303 1.00 0.00 H new ATOM 0 HG3 MET A 8 89.692 -6.859 3.747 1.00 0.00 H new ATOM 0 HE1 MET A 8 92.880 -8.603 2.723 1.00 0.00 H new ATOM 0 HE2 MET A 8 92.482 -8.988 4.414 1.00 0.00 H new ATOM 0 HE3 MET A 8 91.181 -8.783 3.218 1.00 0.00 H new ATOM 131 N ILE A 9 88.381 -3.080 6.499 1.00 0.00 N ATOM 132 CA ILE A 9 88.258 -1.803 7.260 1.00 0.00 C ATOM 133 C ILE A 9 87.456 -2.034 8.543 1.00 0.00 C ATOM 134 O ILE A 9 87.569 -1.293 9.499 1.00 0.00 O ATOM 135 CB ILE A 9 87.514 -0.848 6.326 1.00 0.00 C ATOM 136 CG1 ILE A 9 88.315 -0.666 5.034 1.00 0.00 C ATOM 137 CG2 ILE A 9 87.347 0.510 7.012 1.00 0.00 C ATOM 138 CD1 ILE A 9 87.632 0.380 4.151 1.00 0.00 C ATOM 0 H ILE A 9 88.013 -3.058 5.548 1.00 0.00 H new ATOM 0 HA ILE A 9 89.228 -1.403 7.556 1.00 0.00 H new ATOM 0 HB ILE A 9 86.534 -1.263 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 9 89.333 -0.352 5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 9 88.387 -1.615 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 9 86.817 1.191 6.346 1.00 0.00 H new ATOM 0 HG22 ILE A 9 86.777 0.385 7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 9 88.328 0.922 7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 9 88.203 0.509 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 9 86.623 0.048 3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 9 87.583 1.330 4.684 1.00 0.00 H new ATOM 150 N LYS A 10 86.647 -3.060 8.571 1.00 0.00 N ATOM 151 CA LYS A 10 85.839 -3.340 9.793 1.00 0.00 C ATOM 152 C LYS A 10 86.684 -4.099 10.818 1.00 0.00 C ATOM 153 O LYS A 10 86.591 -3.867 12.007 1.00 0.00 O ATOM 154 CB LYS A 10 84.676 -4.207 9.309 1.00 0.00 C ATOM 155 CG LYS A 10 83.762 -3.376 8.407 1.00 0.00 C ATOM 156 CD LYS A 10 82.635 -4.258 7.868 1.00 0.00 C ATOM 157 CE LYS A 10 81.868 -4.882 9.036 1.00 0.00 C ATOM 158 NZ LYS A 10 81.398 -3.726 9.849 1.00 0.00 N ATOM 0 H LYS A 10 86.511 -3.715 7.801 1.00 0.00 H new ATOM 0 HA LYS A 10 85.491 -2.428 10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 10 85.055 -5.071 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 10 84.114 -4.589 10.161 1.00 0.00 H new ATOM 0 HG2 LYS A 10 83.346 -2.538 8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 10 84.335 -2.955 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 10 81.959 -3.666 7.251 1.00 0.00 H new ATOM 0 HD3 LYS A 10 83.046 -5.041 7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 10 81.030 -5.483 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 10 82.508 -5.542 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 80.465 -3.943 10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 82.075 -3.543 10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 81.325 -2.883 9.244 1.00 0.00 H new ATOM 172 N CYS A 11 87.512 -5.002 10.367 1.00 0.00 N ATOM 173 CA CYS A 11 88.361 -5.769 11.312 1.00 0.00 C ATOM 174 C CYS A 11 89.233 -4.807 12.112 1.00 0.00 C ATOM 175 O CYS A 11 89.356 -4.909 13.316 1.00 0.00 O ATOM 176 CB CYS A 11 89.225 -6.665 10.427 1.00 0.00 C ATOM 177 SG CYS A 11 90.166 -7.808 11.466 1.00 0.00 S ATOM 0 H CYS A 11 87.635 -5.239 9.383 1.00 0.00 H new ATOM 0 HA CYS A 11 87.777 -6.349 12.027 1.00 0.00 H new ATOM 0 HB2 CYS A 11 88.597 -7.222 9.731 1.00 0.00 H new ATOM 0 HB3 CYS A 11 89.904 -6.058 9.828 1.00 0.00 H new ATOM 182 N LYS A 12 89.837 -3.867 11.442 1.00 0.00 N ATOM 183 CA LYS A 12 90.703 -2.882 12.149 1.00 0.00 C ATOM 184 C LYS A 12 89.837 -1.862 12.894 1.00 0.00 C ATOM 185 O LYS A 12 90.022 -1.615 14.069 1.00 0.00 O ATOM 186 CB LYS A 12 91.507 -2.194 11.044 1.00 0.00 C ATOM 187 CG LYS A 12 92.174 -3.250 10.162 1.00 0.00 C ATOM 188 CD LYS A 12 93.685 -3.239 10.406 1.00 0.00 C ATOM 189 CE LYS A 12 93.994 -3.932 11.736 1.00 0.00 C ATOM 190 NZ LYS A 12 95.431 -4.318 11.651 1.00 0.00 N ATOM 0 H LYS A 12 89.769 -3.737 10.433 1.00 0.00 H new ATOM 0 HA LYS A 12 91.349 -3.355 12.888 1.00 0.00 H new ATOM 0 HB2 LYS A 12 90.852 -1.564 10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 12 92.262 -1.542 11.482 1.00 0.00 H new ATOM 0 HG2 LYS A 12 91.766 -4.236 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 12 91.963 -3.048 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 12 94.199 -3.748 9.591 1.00 0.00 H new ATOM 0 HD3 LYS A 12 94.053 -2.213 10.424 1.00 0.00 H new ATOM 0 HE2 LYS A 12 93.815 -3.264 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 12 93.359 -4.806 11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 95.679 -4.915 12.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 95.597 -4.847 10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 96.021 -3.462 11.657 1.00 0.00 H new ATOM 204 N ILE A 13 88.893 -1.267 12.217 1.00 0.00 N ATOM 205 CA ILE A 13 88.013 -0.263 12.883 1.00 0.00 C ATOM 206 C ILE A 13 86.583 -0.801 12.986 1.00 0.00 C ATOM 207 O ILE A 13 85.734 -0.469 12.182 1.00 0.00 O ATOM 208 CB ILE A 13 88.064 0.964 11.973 1.00 0.00 C ATOM 209 CG1 ILE A 13 89.457 1.593 12.047 1.00 0.00 C ATOM 210 CG2 ILE A 13 87.022 1.987 12.428 1.00 0.00 C ATOM 211 CD1 ILE A 13 89.834 2.162 10.679 1.00 0.00 C ATOM 0 H ILE A 13 88.692 -1.432 11.231 1.00 0.00 H new ATOM 0 HA ILE A 13 88.337 -0.032 13.898 1.00 0.00 H new ATOM 0 HB ILE A 13 87.851 0.662 10.948 1.00 0.00 H new ATOM 0 HG12 ILE A 13 89.471 2.383 12.798 1.00 0.00 H new ATOM 0 HG13 ILE A 13 90.189 0.846 12.356 1.00 0.00 H new ATOM 0 HG21 ILE A 13 87.061 2.860 11.777 1.00 0.00 H new ATOM 0 HG22 ILE A 13 86.029 1.541 12.378 1.00 0.00 H new ATOM 0 HG23 ILE A 13 87.233 2.289 13.454 1.00 0.00 H new ATOM 0 HD11 ILE A 13 90.826 2.610 10.732 1.00 0.00 H new ATOM 0 HD12 ILE A 13 89.837 1.361 9.940 1.00 0.00 H new ATOM 0 HD13 ILE A 13 89.108 2.921 10.388 1.00 0.00 H new ATOM 223 N PRO A 14 86.369 -1.624 13.977 1.00 0.00 N ATOM 224 CA PRO A 14 85.032 -2.226 14.194 1.00 0.00 C ATOM 225 C PRO A 14 84.076 -1.207 14.825 1.00 0.00 C ATOM 226 O PRO A 14 82.871 -1.335 14.734 1.00 0.00 O ATOM 227 CB PRO A 14 85.311 -3.373 15.159 1.00 0.00 C ATOM 228 CG PRO A 14 86.565 -2.988 15.881 1.00 0.00 C ATOM 229 CD PRO A 14 87.345 -2.067 14.977 1.00 0.00 C ATOM 0 HA PRO A 14 84.557 -2.554 13.269 1.00 0.00 H new ATOM 0 HB2 PRO A 14 84.484 -3.511 15.855 1.00 0.00 H new ATOM 0 HB3 PRO A 14 85.439 -4.314 14.624 1.00 0.00 H new ATOM 0 HG2 PRO A 14 86.328 -2.491 16.822 1.00 0.00 H new ATOM 0 HG3 PRO A 14 87.153 -3.872 16.126 1.00 0.00 H new ATOM 0 HD2 PRO A 14 87.758 -1.223 15.530 1.00 0.00 H new ATOM 0 HD3 PRO A 14 88.184 -2.584 14.511 1.00 0.00 H new ATOM 237 N SER A 15 84.602 -0.202 15.467 1.00 0.00 N ATOM 238 CA SER A 15 83.721 0.816 16.110 1.00 0.00 C ATOM 239 C SER A 15 83.305 1.889 15.098 1.00 0.00 C ATOM 240 O SER A 15 82.669 2.864 15.444 1.00 0.00 O ATOM 241 CB SER A 15 84.572 1.433 17.218 1.00 0.00 C ATOM 242 OG SER A 15 85.518 2.324 16.642 1.00 0.00 O ATOM 0 H SER A 15 85.603 -0.040 15.575 1.00 0.00 H new ATOM 0 HA SER A 15 82.802 0.373 16.494 1.00 0.00 H new ATOM 0 HB2 SER A 15 83.937 1.966 17.926 1.00 0.00 H new ATOM 0 HB3 SER A 15 85.085 0.650 17.777 1.00 0.00 H new ATOM 0 HG SER A 15 86.065 2.723 17.350 1.00 0.00 H new ATOM 248 N SER A 16 83.659 1.721 13.853 1.00 0.00 N ATOM 249 CA SER A 16 83.278 2.740 12.832 1.00 0.00 C ATOM 250 C SER A 16 82.880 2.056 11.520 1.00 0.00 C ATOM 251 O SER A 16 83.584 1.205 11.014 1.00 0.00 O ATOM 252 CB SER A 16 84.532 3.590 12.639 1.00 0.00 C ATOM 253 OG SER A 16 84.164 4.962 12.587 1.00 0.00 O ATOM 0 H SER A 16 84.193 0.927 13.499 1.00 0.00 H new ATOM 0 HA SER A 16 82.423 3.340 13.144 1.00 0.00 H new ATOM 0 HB2 SER A 16 85.231 3.420 13.458 1.00 0.00 H new ATOM 0 HB3 SER A 16 85.042 3.303 11.720 1.00 0.00 H new ATOM 0 HG SER A 16 84.966 5.511 12.465 1.00 0.00 H new ATOM 259 N GLU A 17 81.754 2.422 10.967 1.00 0.00 N ATOM 260 CA GLU A 17 81.308 1.793 9.689 1.00 0.00 C ATOM 261 C GLU A 17 82.133 2.329 8.514 1.00 0.00 C ATOM 262 O GLU A 17 82.357 3.518 8.404 1.00 0.00 O ATOM 263 CB GLU A 17 79.841 2.196 9.541 1.00 0.00 C ATOM 264 CG GLU A 17 79.019 1.549 10.656 1.00 0.00 C ATOM 265 CD GLU A 17 78.424 0.232 10.152 1.00 0.00 C ATOM 266 OE1 GLU A 17 77.649 0.278 9.211 1.00 0.00 O ATOM 267 OE2 GLU A 17 78.756 -0.798 10.714 1.00 0.00 O ATOM 0 H GLU A 17 81.124 3.129 11.345 1.00 0.00 H new ATOM 0 HA GLU A 17 81.436 0.711 9.697 1.00 0.00 H new ATOM 0 HB2 GLU A 17 79.745 3.281 9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 17 79.463 1.883 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 17 79.648 1.366 11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 17 78.223 2.222 10.973 1.00 0.00 H new ATOM 274 N PRO A 18 82.564 1.426 7.676 1.00 0.00 N ATOM 275 CA PRO A 18 83.378 1.805 6.497 1.00 0.00 C ATOM 276 C PRO A 18 82.501 2.410 5.393 1.00 0.00 C ATOM 277 O PRO A 18 82.996 2.877 4.387 1.00 0.00 O ATOM 278 CB PRO A 18 83.979 0.481 6.038 1.00 0.00 C ATOM 279 CG PRO A 18 83.037 -0.572 6.533 1.00 0.00 C ATOM 280 CD PRO A 18 82.338 -0.022 7.750 1.00 0.00 C ATOM 0 HA PRO A 18 84.129 2.560 6.730 1.00 0.00 H new ATOM 0 HB2 PRO A 18 84.072 0.447 4.953 1.00 0.00 H new ATOM 0 HB3 PRO A 18 84.979 0.339 6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.313 -0.832 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 18 83.579 -1.484 6.782 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.274 -0.259 7.739 1.00 0.00 H new ATOM 0 HD3 PRO A 18 82.749 -0.442 8.668 1.00 0.00 H new ATOM 288 N LEU A 19 81.207 2.401 5.566 1.00 0.00 N ATOM 289 CA LEU A 19 80.316 2.972 4.512 1.00 0.00 C ATOM 290 C LEU A 19 79.636 4.249 5.014 1.00 0.00 C ATOM 291 O LEU A 19 78.753 4.784 4.372 1.00 0.00 O ATOM 292 CB LEU A 19 79.268 1.890 4.243 1.00 0.00 C ATOM 293 CG LEU A 19 79.960 0.557 3.952 1.00 0.00 C ATOM 294 CD1 LEU A 19 79.074 -0.591 4.440 1.00 0.00 C ATOM 295 CD2 LEU A 19 80.182 0.418 2.444 1.00 0.00 C ATOM 0 H LEU A 19 80.729 2.026 6.385 1.00 0.00 H new ATOM 0 HA LEU A 19 80.873 3.239 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 19 78.609 1.787 5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 19 78.644 2.178 3.397 1.00 0.00 H new ATOM 0 HG LEU A 19 80.920 0.524 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 19 79.565 -1.542 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.909 -0.493 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 19 78.116 -0.557 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 19 80.675 -0.531 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 19 79.221 0.449 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 19 80.808 1.238 2.091 1.00 0.00 H new ATOM 307 N LEU A 20 80.031 4.744 6.155 1.00 0.00 N ATOM 308 CA LEU A 20 79.391 5.983 6.684 1.00 0.00 C ATOM 309 C LEU A 20 80.446 7.049 6.994 1.00 0.00 C ATOM 310 O LEU A 20 80.187 8.233 6.909 1.00 0.00 O ATOM 311 CB LEU A 20 78.682 5.547 7.967 1.00 0.00 C ATOM 312 CG LEU A 20 77.749 4.373 7.667 1.00 0.00 C ATOM 313 CD1 LEU A 20 77.031 3.953 8.951 1.00 0.00 C ATOM 314 CD2 LEU A 20 76.714 4.796 6.621 1.00 0.00 C ATOM 0 H LEU A 20 80.765 4.347 6.742 1.00 0.00 H new ATOM 0 HA LEU A 20 78.703 6.424 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 20 79.416 5.258 8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 20 78.113 6.380 8.380 1.00 0.00 H new ATOM 0 HG LEU A 20 78.332 3.535 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 20 76.366 3.116 8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 20 77.766 3.652 9.697 1.00 0.00 H new ATOM 0 HD13 LEU A 20 76.449 4.792 9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 20 76.049 3.959 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 20 76.131 5.634 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 20 77.224 5.097 5.706 1.00 0.00 H new ATOM 326 N ASP A 21 81.631 6.643 7.359 1.00 0.00 N ATOM 327 CA ASP A 21 82.691 7.642 7.681 1.00 0.00 C ATOM 328 C ASP A 21 83.744 7.687 6.571 1.00 0.00 C ATOM 329 O ASP A 21 84.217 8.741 6.195 1.00 0.00 O ATOM 330 CB ASP A 21 83.312 7.153 8.989 1.00 0.00 C ATOM 331 CG ASP A 21 82.404 7.534 10.159 1.00 0.00 C ATOM 332 OD1 ASP A 21 81.224 7.741 9.925 1.00 0.00 O ATOM 333 OD2 ASP A 21 82.902 7.613 11.270 1.00 0.00 O ATOM 0 H ASP A 21 81.911 5.666 7.448 1.00 0.00 H new ATOM 0 HA ASP A 21 82.288 8.651 7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 21 83.448 6.072 8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 21 84.300 7.595 9.122 1.00 0.00 H new ATOM 338 N PHE A 22 84.122 6.553 6.049 1.00 0.00 N ATOM 339 CA PHE A 22 85.150 6.536 4.970 1.00 0.00 C ATOM 340 C PHE A 22 84.481 6.507 3.593 1.00 0.00 C ATOM 341 O PHE A 22 84.798 5.684 2.757 1.00 0.00 O ATOM 342 CB PHE A 22 85.950 5.255 5.208 1.00 0.00 C ATOM 343 CG PHE A 22 86.511 5.267 6.609 1.00 0.00 C ATOM 344 CD1 PHE A 22 87.706 5.946 6.879 1.00 0.00 C ATOM 345 CD2 PHE A 22 85.837 4.600 7.639 1.00 0.00 C ATOM 346 CE1 PHE A 22 88.226 5.957 8.180 1.00 0.00 C ATOM 347 CE2 PHE A 22 86.358 4.612 8.938 1.00 0.00 C ATOM 348 CZ PHE A 22 87.552 5.290 9.210 1.00 0.00 C ATOM 0 H PHE A 22 83.764 5.638 6.322 1.00 0.00 H new ATOM 0 HA PHE A 22 85.783 7.423 4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 22 85.311 4.383 5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 22 86.759 5.178 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 22 88.226 6.461 6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 22 84.915 4.076 7.431 1.00 0.00 H new ATOM 0 HE1 PHE A 22 89.147 6.480 8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 22 85.838 4.097 9.732 1.00 0.00 H new ATOM 0 HZ PHE A 22 87.953 5.299 10.213 1.00 0.00 H new ATOM 358 N ASN A 23 83.562 7.400 3.349 1.00 0.00 N ATOM 359 CA ASN A 23 82.880 7.424 2.023 1.00 0.00 C ATOM 360 C ASN A 23 83.048 8.796 1.367 1.00 0.00 C ATOM 361 O ASN A 23 82.827 9.821 1.982 1.00 0.00 O ATOM 362 CB ASN A 23 81.406 7.153 2.327 1.00 0.00 C ATOM 363 CG ASN A 23 81.023 5.766 1.805 1.00 0.00 C ATOM 364 OD1 ASN A 23 81.876 4.931 1.581 1.00 0.00 O ATOM 365 ND2 ASN A 23 79.765 5.486 1.600 1.00 0.00 N ATOM 0 H ASN A 23 83.254 8.114 4.009 1.00 0.00 H new ATOM 0 HA ASN A 23 83.295 6.689 1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 23 81.229 7.211 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 23 80.781 7.914 1.860 1.00 0.00 H new ATOM 0 HD21 ASN A 23 79.498 4.565 1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 23 79.049 6.188 1.788 1.00 0.00 H new ATOM 372 N ASN A 24 83.438 8.825 0.122 1.00 0.00 N ATOM 373 CA ASN A 24 83.621 10.131 -0.574 1.00 0.00 C ATOM 374 C ASN A 24 84.353 11.121 0.338 1.00 0.00 C ATOM 375 O ASN A 24 83.794 12.110 0.770 1.00 0.00 O ATOM 376 CB ASN A 24 82.205 10.624 -0.875 1.00 0.00 C ATOM 377 CG ASN A 24 82.256 11.655 -2.003 1.00 0.00 C ATOM 378 OD1 ASN A 24 82.646 11.343 -3.110 1.00 0.00 O ATOM 379 ND2 ASN A 24 81.877 12.883 -1.767 1.00 0.00 N ATOM 0 H ASN A 24 83.638 8.000 -0.444 1.00 0.00 H new ATOM 0 HA ASN A 24 84.219 10.034 -1.480 1.00 0.00 H new ATOM 0 HB2 ASN A 24 81.569 9.786 -1.162 1.00 0.00 H new ATOM 0 HB3 ASN A 24 81.765 11.067 0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 24 81.909 13.579 -2.512 1.00 0.00 H new ATOM 0 HD22 ASN A 24 81.549 13.146 -0.838 1.00 0.00 H new ATOM 386 N TYR A 25 85.599 10.865 0.628 1.00 0.00 N ATOM 387 CA TYR A 25 86.366 11.793 1.507 1.00 0.00 C ATOM 388 C TYR A 25 87.689 12.173 0.838 1.00 0.00 C ATOM 389 O TYR A 25 88.216 11.441 0.024 1.00 0.00 O ATOM 390 CB TYR A 25 86.624 11.006 2.793 1.00 0.00 C ATOM 391 CG TYR A 25 87.576 11.778 3.676 1.00 0.00 C ATOM 392 CD1 TYR A 25 88.948 11.783 3.391 1.00 0.00 C ATOM 393 CD2 TYR A 25 87.089 12.487 4.781 1.00 0.00 C ATOM 394 CE1 TYR A 25 89.831 12.498 4.210 1.00 0.00 C ATOM 395 CE2 TYR A 25 87.972 13.201 5.600 1.00 0.00 C ATOM 396 CZ TYR A 25 89.343 13.206 5.315 1.00 0.00 C ATOM 397 OH TYR A 25 90.214 13.910 6.122 1.00 0.00 O ATOM 0 H TYR A 25 86.119 10.054 0.294 1.00 0.00 H new ATOM 0 HA TYR A 25 85.825 12.719 1.701 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.685 10.831 3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 25 87.044 10.029 2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 25 89.325 11.235 2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.032 12.483 5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 25 90.888 12.503 3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 25 87.596 13.748 6.452 1.00 0.00 H new ATOM 0 HH TYR A 25 90.409 13.387 6.927 1.00 0.00 H new ATOM 407 N GLY A 26 88.230 13.311 1.171 1.00 0.00 N ATOM 408 CA GLY A 26 89.517 13.729 0.552 1.00 0.00 C ATOM 409 C GLY A 26 89.480 13.456 -0.951 1.00 0.00 C ATOM 410 O GLY A 26 88.437 13.210 -1.524 1.00 0.00 O ATOM 0 H GLY A 26 87.837 13.969 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 26 89.692 14.789 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 26 90.344 13.187 1.009 1.00 0.00 H new ATOM 414 N CYS A 27 90.612 13.508 -1.593 1.00 0.00 N ATOM 415 CA CYS A 27 90.648 13.263 -3.064 1.00 0.00 C ATOM 416 C CYS A 27 90.898 11.780 -3.368 1.00 0.00 C ATOM 417 O CYS A 27 90.643 11.314 -4.459 1.00 0.00 O ATOM 418 CB CYS A 27 91.812 14.112 -3.580 1.00 0.00 C ATOM 419 SG CYS A 27 91.701 15.782 -2.888 1.00 0.00 S ATOM 0 H CYS A 27 91.515 13.709 -1.164 1.00 0.00 H new ATOM 0 HA CYS A 27 89.702 13.523 -3.538 1.00 0.00 H new ATOM 0 HB2 CYS A 27 92.761 13.654 -3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 27 91.788 14.156 -4.669 1.00 0.00 H new ATOM 424 N TYR A 28 91.403 11.035 -2.420 1.00 0.00 N ATOM 425 CA TYR A 28 91.671 9.590 -2.680 1.00 0.00 C ATOM 426 C TYR A 28 90.550 8.719 -2.105 1.00 0.00 C ATOM 427 O TYR A 28 89.929 7.946 -2.808 1.00 0.00 O ATOM 428 CB TYR A 28 92.993 9.303 -1.970 1.00 0.00 C ATOM 429 CG TYR A 28 94.092 10.109 -2.619 1.00 0.00 C ATOM 430 CD1 TYR A 28 94.608 9.714 -3.860 1.00 0.00 C ATOM 431 CD2 TYR A 28 94.592 11.252 -1.986 1.00 0.00 C ATOM 432 CE1 TYR A 28 95.624 10.462 -4.466 1.00 0.00 C ATOM 433 CE2 TYR A 28 95.608 12.001 -2.592 1.00 0.00 C ATOM 434 CZ TYR A 28 96.124 11.606 -3.832 1.00 0.00 C ATOM 435 OH TYR A 28 97.124 12.345 -4.430 1.00 0.00 O ATOM 0 H TYR A 28 91.640 11.362 -1.483 1.00 0.00 H new ATOM 0 HA TYR A 28 91.720 9.368 -3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 28 92.915 9.558 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 28 93.225 8.239 -2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 28 94.222 8.832 -4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 28 94.194 11.557 -1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 28 96.022 10.157 -5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 28 95.994 12.883 -2.103 1.00 0.00 H new ATOM 0 HH TYR A 28 96.867 13.291 -4.446 1.00 0.00 H new ATOM 445 N CYS A 29 90.290 8.832 -0.832 1.00 0.00 N ATOM 446 CA CYS A 29 89.213 8.006 -0.214 1.00 0.00 C ATOM 447 C CYS A 29 87.944 8.059 -1.071 1.00 0.00 C ATOM 448 O CYS A 29 87.414 9.116 -1.347 1.00 0.00 O ATOM 449 CB CYS A 29 88.964 8.638 1.155 1.00 0.00 C ATOM 450 SG CYS A 29 90.517 8.684 2.084 1.00 0.00 S ATOM 0 H CYS A 29 90.776 9.460 -0.192 1.00 0.00 H new ATOM 0 HA CYS A 29 89.495 6.956 -0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 29 88.568 9.647 1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 29 88.216 8.064 1.703 1.00 0.00 H new ATOM 455 N GLY A 30 87.453 6.924 -1.492 1.00 0.00 N ATOM 456 CA GLY A 30 86.217 6.911 -2.326 1.00 0.00 C ATOM 457 C GLY A 30 86.521 6.291 -3.692 1.00 0.00 C ATOM 458 O GLY A 30 85.658 6.190 -4.542 1.00 0.00 O ATOM 0 H GLY A 30 87.854 6.007 -1.295 1.00 0.00 H new ATOM 0 HA2 GLY A 30 85.434 6.342 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 30 85.842 7.927 -2.452 1.00 0.00 H new ATOM 506 N GLY A 35 93.765 13.784 -6.480 1.00 0.00 N ATOM 507 CA GLY A 35 94.483 15.087 -6.390 1.00 0.00 C ATOM 508 C GLY A 35 95.289 15.142 -5.091 1.00 0.00 C ATOM 509 O GLY A 35 95.306 14.203 -4.320 1.00 0.00 O ATOM 0 HA2 GLY A 35 95.146 15.208 -7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 35 93.769 15.910 -6.421 1.00 0.00 H new ATOM 513 N THR A 36 95.956 16.235 -4.843 1.00 0.00 N ATOM 514 CA THR A 36 96.761 16.355 -3.592 1.00 0.00 C ATOM 515 C THR A 36 95.922 15.928 -2.383 1.00 0.00 C ATOM 516 O THR A 36 94.729 16.149 -2.347 1.00 0.00 O ATOM 517 CB THR A 36 97.121 17.839 -3.500 1.00 0.00 C ATOM 518 OG1 THR A 36 97.692 18.261 -4.731 1.00 0.00 O ATOM 519 CG2 THR A 36 98.127 18.058 -2.368 1.00 0.00 C ATOM 0 H THR A 36 95.979 17.052 -5.453 1.00 0.00 H new ATOM 0 HA THR A 36 97.647 15.720 -3.603 1.00 0.00 H new ATOM 0 HB THR A 36 96.220 18.418 -3.296 1.00 0.00 H new ATOM 0 HG1 THR A 36 97.922 19.212 -4.676 1.00 0.00 H new ATOM 0 HG21 THR A 36 98.381 19.116 -2.306 1.00 0.00 H new ATOM 0 HG22 THR A 36 97.689 17.734 -1.424 1.00 0.00 H new ATOM 0 HG23 THR A 36 99.029 17.480 -2.566 1.00 0.00 H new ATOM 527 N PRO A 37 96.582 15.326 -1.430 1.00 0.00 N ATOM 528 CA PRO A 37 95.889 14.861 -0.203 1.00 0.00 C ATOM 529 C PRO A 37 95.470 16.055 0.661 1.00 0.00 C ATOM 530 O PRO A 37 96.153 17.058 0.724 1.00 0.00 O ATOM 531 CB PRO A 37 96.942 14.012 0.505 1.00 0.00 C ATOM 532 CG PRO A 37 98.252 14.527 0.001 1.00 0.00 C ATOM 533 CD PRO A 37 98.017 15.023 -1.401 1.00 0.00 C ATOM 0 HA PRO A 37 94.975 14.305 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 37 96.868 14.112 1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 37 96.818 12.954 0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.622 15.331 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.006 13.740 0.011 1.00 0.00 H new ATOM 0 HD2 PRO A 37 98.617 15.907 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.281 14.268 -2.142 1.00 0.00 H new ATOM 541 N VAL A 38 94.351 15.953 1.323 1.00 0.00 N ATOM 542 CA VAL A 38 93.882 17.080 2.179 1.00 0.00 C ATOM 543 C VAL A 38 94.134 16.769 3.656 1.00 0.00 C ATOM 544 O VAL A 38 94.282 17.658 4.471 1.00 0.00 O ATOM 545 CB VAL A 38 92.382 17.185 1.904 1.00 0.00 C ATOM 546 CG1 VAL A 38 92.157 17.606 0.450 1.00 0.00 C ATOM 547 CG2 VAL A 38 91.723 15.824 2.145 1.00 0.00 C ATOM 0 H VAL A 38 93.740 15.137 1.308 1.00 0.00 H new ATOM 0 HA VAL A 38 94.406 18.010 1.959 1.00 0.00 H new ATOM 0 HB VAL A 38 91.943 17.927 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 38 91.087 17.681 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 38 92.627 18.574 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 38 92.597 16.864 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 38 90.653 15.898 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 38 92.164 15.083 1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 38 91.882 15.521 3.180 1.00 0.00 H new ATOM 557 N ASP A 39 94.184 15.514 4.009 1.00 0.00 N ATOM 558 CA ASP A 39 94.426 15.150 5.433 1.00 0.00 C ATOM 559 C ASP A 39 95.228 13.849 5.517 1.00 0.00 C ATOM 560 O ASP A 39 95.634 13.294 4.516 1.00 0.00 O ATOM 561 CB ASP A 39 93.033 14.960 6.036 1.00 0.00 C ATOM 562 CG ASP A 39 93.054 15.373 7.508 1.00 0.00 C ATOM 563 OD1 ASP A 39 93.485 16.480 7.786 1.00 0.00 O ATOM 564 OD2 ASP A 39 92.638 14.575 8.333 1.00 0.00 O ATOM 0 H ASP A 39 94.068 14.725 3.373 1.00 0.00 H new ATOM 0 HA ASP A 39 94.999 15.912 5.962 1.00 0.00 H new ATOM 0 HB2 ASP A 39 92.304 15.558 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 39 92.724 13.919 5.944 1.00 0.00 H new ATOM 569 N ASP A 40 95.460 13.359 6.704 1.00 0.00 N ATOM 570 CA ASP A 40 96.236 12.095 6.847 1.00 0.00 C ATOM 571 C ASP A 40 95.407 10.910 6.348 1.00 0.00 C ATOM 572 O ASP A 40 95.859 10.119 5.545 1.00 0.00 O ATOM 573 CB ASP A 40 96.510 11.967 8.346 1.00 0.00 C ATOM 574 CG ASP A 40 98.012 12.103 8.607 1.00 0.00 C ATOM 575 OD1 ASP A 40 98.770 11.999 7.657 1.00 0.00 O ATOM 576 OD2 ASP A 40 98.377 12.310 9.753 1.00 0.00 O ATOM 0 H ASP A 40 95.146 13.778 7.579 1.00 0.00 H new ATOM 0 HA ASP A 40 97.157 12.105 6.265 1.00 0.00 H new ATOM 0 HB2 ASP A 40 95.965 12.736 8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 40 96.153 11.004 8.710 1.00 0.00 H new ATOM 581 N LEU A 41 94.194 10.777 6.813 1.00 0.00 N ATOM 582 CA LEU A 41 93.350 9.639 6.351 1.00 0.00 C ATOM 583 C LEU A 41 93.354 9.582 4.823 1.00 0.00 C ATOM 584 O LEU A 41 93.317 8.522 4.230 1.00 0.00 O ATOM 585 CB LEU A 41 91.946 9.932 6.881 1.00 0.00 C ATOM 586 CG LEU A 41 91.064 8.693 6.701 1.00 0.00 C ATOM 587 CD1 LEU A 41 91.677 7.509 7.451 1.00 0.00 C ATOM 588 CD2 LEU A 41 89.670 8.974 7.263 1.00 0.00 C ATOM 0 H LEU A 41 93.754 11.402 7.488 1.00 0.00 H new ATOM 0 HA LEU A 41 93.716 8.677 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 41 91.994 10.208 7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 41 91.514 10.780 6.349 1.00 0.00 H new ATOM 0 HG LEU A 41 90.993 8.455 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 41 91.046 6.630 7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 41 92.672 7.304 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 41 91.750 7.749 8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 41 89.042 8.093 7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 41 89.747 9.214 8.323 1.00 0.00 H new ATOM 0 HD23 LEU A 41 89.226 9.816 6.732 1.00 0.00 H new ATOM 600 N ASP A 42 93.413 10.717 4.179 1.00 0.00 N ATOM 601 CA ASP A 42 93.434 10.722 2.689 1.00 0.00 C ATOM 602 C ASP A 42 94.740 10.097 2.195 1.00 0.00 C ATOM 603 O ASP A 42 94.750 9.295 1.282 1.00 0.00 O ATOM 604 CB ASP A 42 93.360 12.196 2.291 1.00 0.00 C ATOM 605 CG ASP A 42 92.855 12.310 0.852 1.00 0.00 C ATOM 606 OD1 ASP A 42 92.001 11.520 0.481 1.00 0.00 O ATOM 607 OD2 ASP A 42 93.331 13.182 0.145 1.00 0.00 O ATOM 0 H ASP A 42 93.447 11.637 4.619 1.00 0.00 H new ATOM 0 HA ASP A 42 92.613 10.149 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 42 92.693 12.733 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 42 94.343 12.658 2.380 1.00 0.00 H new ATOM 612 N ARG A 43 95.841 10.448 2.804 1.00 0.00 N ATOM 613 CA ARG A 43 97.141 9.864 2.385 1.00 0.00 C ATOM 614 C ARG A 43 97.018 8.348 2.338 1.00 0.00 C ATOM 615 O ARG A 43 97.549 7.690 1.466 1.00 0.00 O ATOM 616 CB ARG A 43 98.124 10.283 3.475 1.00 0.00 C ATOM 617 CG ARG A 43 98.687 11.660 3.142 1.00 0.00 C ATOM 618 CD ARG A 43 100.210 11.590 3.093 1.00 0.00 C ATOM 619 NE ARG A 43 100.520 10.397 2.267 1.00 0.00 N ATOM 620 CZ ARG A 43 101.761 10.073 2.022 1.00 0.00 C ATOM 621 NH1 ARG A 43 102.730 10.638 2.690 1.00 0.00 N ATOM 622 NH2 ARG A 43 102.034 9.183 1.107 1.00 0.00 N ATOM 0 H ARG A 43 95.893 11.115 3.574 1.00 0.00 H new ATOM 0 HA ARG A 43 97.460 10.200 1.398 1.00 0.00 H new ATOM 0 HB2 ARG A 43 97.623 10.306 4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 43 98.932 9.556 3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 43 98.297 12.002 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 43 98.370 12.385 3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 43 100.631 12.494 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 43 100.632 11.496 4.094 1.00 0.00 H new ATOM 0 HE ARG A 43 99.762 9.829 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 43 102.518 11.334 3.405 1.00 0.00 H new ATOM 0 HH12 ARG A 43 103.699 10.383 2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 43 101.278 8.741 0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 43 103.003 8.930 0.915 1.00 0.00 H new ATOM 636 N CYS A 44 96.311 7.795 3.278 1.00 0.00 N ATOM 637 CA CYS A 44 96.136 6.327 3.309 1.00 0.00 C ATOM 638 C CYS A 44 95.416 5.862 2.043 1.00 0.00 C ATOM 639 O CYS A 44 95.778 4.876 1.432 1.00 0.00 O ATOM 640 CB CYS A 44 95.264 6.059 4.534 1.00 0.00 C ATOM 641 SG CYS A 44 96.005 6.820 6.001 1.00 0.00 S ATOM 0 H CYS A 44 95.845 8.303 4.030 1.00 0.00 H new ATOM 0 HA CYS A 44 97.088 5.798 3.357 1.00 0.00 H new ATOM 0 HB2 CYS A 44 94.263 6.460 4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 44 95.157 4.985 4.686 1.00 0.00 H new ATOM 646 N CYS A 45 94.395 6.572 1.648 1.00 0.00 N ATOM 647 CA CYS A 45 93.642 6.184 0.423 1.00 0.00 C ATOM 648 C CYS A 45 94.545 6.306 -0.805 1.00 0.00 C ATOM 649 O CYS A 45 94.609 5.418 -1.631 1.00 0.00 O ATOM 650 CB CYS A 45 92.478 7.172 0.346 1.00 0.00 C ATOM 651 SG CYS A 45 91.356 6.881 1.736 1.00 0.00 S ATOM 0 H CYS A 45 94.049 7.406 2.122 1.00 0.00 H new ATOM 0 HA CYS A 45 93.292 5.152 0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 45 92.852 8.195 0.373 1.00 0.00 H new ATOM 0 HB3 CYS A 45 91.946 7.052 -0.598 1.00 0.00 H new ATOM 656 N GLN A 46 95.254 7.394 -0.925 1.00 0.00 N ATOM 657 CA GLN A 46 96.163 7.559 -2.095 1.00 0.00 C ATOM 658 C GLN A 46 97.081 6.342 -2.197 1.00 0.00 C ATOM 659 O GLN A 46 97.401 5.877 -3.273 1.00 0.00 O ATOM 660 CB GLN A 46 96.971 8.822 -1.794 1.00 0.00 C ATOM 661 CG GLN A 46 98.026 9.028 -2.884 1.00 0.00 C ATOM 662 CD GLN A 46 98.696 10.384 -2.695 1.00 0.00 C ATOM 663 OE1 GLN A 46 98.349 11.129 -1.800 1.00 0.00 O ATOM 664 NE2 GLN A 46 99.650 10.738 -3.508 1.00 0.00 N ATOM 0 H GLN A 46 95.244 8.173 -0.267 1.00 0.00 H new ATOM 0 HA GLN A 46 95.626 7.643 -3.040 1.00 0.00 H new ATOM 0 HB2 GLN A 46 96.309 9.687 -1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 46 97.452 8.735 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 46 98.771 8.233 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 46 97.562 8.974 -3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 46 99.939 10.111 -4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 46 100.108 11.642 -3.394 1.00 0.00 H new ATOM 673 N THR A 47 97.503 5.824 -1.077 1.00 0.00 N ATOM 674 CA THR A 47 98.396 4.636 -1.089 1.00 0.00 C ATOM 675 C THR A 47 97.648 3.420 -1.642 1.00 0.00 C ATOM 676 O THR A 47 98.224 2.556 -2.273 1.00 0.00 O ATOM 677 CB THR A 47 98.775 4.410 0.374 1.00 0.00 C ATOM 678 OG1 THR A 47 99.562 5.502 0.832 1.00 0.00 O ATOM 679 CG2 THR A 47 99.576 3.114 0.503 1.00 0.00 C ATOM 0 H THR A 47 97.265 6.176 -0.150 1.00 0.00 H new ATOM 0 HA THR A 47 99.273 4.785 -1.719 1.00 0.00 H new ATOM 0 HB THR A 47 97.869 4.335 0.976 1.00 0.00 H new ATOM 0 HG1 THR A 47 98.977 6.255 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 47 99.845 2.955 1.547 1.00 0.00 H new ATOM 0 HG22 THR A 47 98.972 2.277 0.152 1.00 0.00 H new ATOM 0 HG23 THR A 47 100.482 3.185 -0.098 1.00 0.00 H new ATOM 687 N HIS A 48 96.365 3.352 -1.415 1.00 0.00 N ATOM 688 CA HIS A 48 95.577 2.199 -1.934 1.00 0.00 C ATOM 689 C HIS A 48 95.574 2.242 -3.457 1.00 0.00 C ATOM 690 O HIS A 48 95.892 1.277 -4.122 1.00 0.00 O ATOM 691 CB HIS A 48 94.164 2.404 -1.384 1.00 0.00 C ATOM 692 CG HIS A 48 93.310 1.213 -1.723 1.00 0.00 C ATOM 693 ND1 HIS A 48 92.487 1.187 -2.839 1.00 0.00 N ATOM 694 CD2 HIS A 48 93.136 0.001 -1.103 1.00 0.00 C ATOM 695 CE1 HIS A 48 91.862 -0.004 -2.854 1.00 0.00 C ATOM 696 NE2 HIS A 48 92.221 -0.766 -1.817 1.00 0.00 N ATOM 0 H HIS A 48 95.829 4.045 -0.893 1.00 0.00 H new ATOM 0 HA HIS A 48 95.986 1.234 -1.633 1.00 0.00 H new ATOM 0 HB2 HIS A 48 94.200 2.542 -0.303 1.00 0.00 H new ATOM 0 HB3 HIS A 48 93.727 3.309 -1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 48 93.635 -0.310 -0.197 1.00 0.00 H new ATOM 0 HE1 HIS A 48 91.156 -0.308 -3.612 1.00 0.00 H new ATOM 0 HE2 HIS A 48 91.895 -1.707 -1.596 1.00 0.00 H new ATOM 704 N ASP A 49 95.229 3.369 -4.012 1.00 0.00 N ATOM 705 CA ASP A 49 95.217 3.501 -5.486 1.00 0.00 C ATOM 706 C ASP A 49 96.616 3.217 -6.029 1.00 0.00 C ATOM 707 O ASP A 49 96.792 2.483 -6.982 1.00 0.00 O ATOM 708 CB ASP A 49 94.819 4.952 -5.743 1.00 0.00 C ATOM 709 CG ASP A 49 93.373 5.170 -5.293 1.00 0.00 C ATOM 710 OD1 ASP A 49 92.903 4.390 -4.481 1.00 0.00 O ATOM 711 OD2 ASP A 49 92.761 6.111 -5.768 1.00 0.00 O ATOM 0 H ASP A 49 94.954 4.207 -3.501 1.00 0.00 H new ATOM 0 HA ASP A 49 94.534 2.805 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 49 95.485 5.624 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 49 94.921 5.186 -6.803 1.00 0.00 H new ATOM 716 N ASN A 50 97.615 3.791 -5.415 1.00 0.00 N ATOM 717 CA ASN A 50 99.009 3.558 -5.872 1.00 0.00 C ATOM 718 C ASN A 50 99.352 2.071 -5.770 1.00 0.00 C ATOM 719 O ASN A 50 100.057 1.527 -6.597 1.00 0.00 O ATOM 720 CB ASN A 50 99.878 4.378 -4.918 1.00 0.00 C ATOM 721 CG ASN A 50 100.082 5.784 -5.487 1.00 0.00 C ATOM 722 OD1 ASN A 50 100.576 5.941 -6.585 1.00 0.00 O ATOM 723 ND2 ASN A 50 99.721 6.820 -4.780 1.00 0.00 N ATOM 0 H ASN A 50 97.522 4.414 -4.613 1.00 0.00 H new ATOM 0 HA ASN A 50 99.161 3.849 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 50 99.404 4.437 -3.938 1.00 0.00 H new ATOM 0 HB3 ASN A 50 100.842 3.889 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 50 99.854 7.761 -5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 50 99.306 6.688 -3.858 1.00 0.00 H new ATOM 730 N CYS A 51 98.857 1.408 -4.759 1.00 0.00 N ATOM 731 CA CYS A 51 99.152 -0.044 -4.605 1.00 0.00 C ATOM 732 C CYS A 51 98.465 -0.840 -5.716 1.00 0.00 C ATOM 733 O CYS A 51 99.013 -1.785 -6.247 1.00 0.00 O ATOM 734 CB CYS A 51 98.581 -0.423 -3.238 1.00 0.00 C ATOM 735 SG CYS A 51 99.337 -1.971 -2.678 1.00 0.00 S ATOM 0 H CYS A 51 98.262 1.810 -4.034 1.00 0.00 H new ATOM 0 HA CYS A 51 100.218 -0.260 -4.672 1.00 0.00 H new ATOM 0 HB2 CYS A 51 98.776 0.371 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 51 97.499 -0.536 -3.302 1.00 0.00 H new ATOM 740 N TYR A 52 97.268 -0.460 -6.075 1.00 0.00 N ATOM 741 CA TYR A 52 96.550 -1.190 -7.160 1.00 0.00 C ATOM 742 C TYR A 52 97.318 -1.045 -8.476 1.00 0.00 C ATOM 743 O TYR A 52 97.289 -1.913 -9.327 1.00 0.00 O ATOM 744 CB TYR A 52 95.183 -0.511 -7.254 1.00 0.00 C ATOM 745 CG TYR A 52 94.216 -1.150 -6.280 1.00 0.00 C ATOM 746 CD1 TYR A 52 94.695 -1.904 -5.199 1.00 0.00 C ATOM 747 CD2 TYR A 52 92.837 -0.987 -6.460 1.00 0.00 C ATOM 748 CE1 TYR A 52 93.795 -2.492 -4.302 1.00 0.00 C ATOM 749 CE2 TYR A 52 91.938 -1.575 -5.563 1.00 0.00 C ATOM 750 CZ TYR A 52 92.416 -2.327 -4.483 1.00 0.00 C ATOM 751 OH TYR A 52 91.529 -2.906 -3.599 1.00 0.00 O ATOM 0 H TYR A 52 96.757 0.322 -5.665 1.00 0.00 H new ATOM 0 HA TYR A 52 96.457 -2.257 -6.959 1.00 0.00 H new ATOM 0 HB2 TYR A 52 95.281 0.553 -7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 52 94.796 -0.594 -8.270 1.00 0.00 H new ATOM 0 HD1 TYR A 52 95.758 -2.031 -5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 52 92.467 -0.407 -7.292 1.00 0.00 H new ATOM 0 HE1 TYR A 52 94.164 -3.073 -3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 52 90.875 -1.449 -5.704 1.00 0.00 H new ATOM 0 HH TYR A 52 92.013 -3.214 -2.804 1.00 0.00 H new ATOM 761 N LYS A 53 98.018 0.044 -8.640 1.00 0.00 N ATOM 762 CA LYS A 53 98.803 0.247 -9.893 1.00 0.00 C ATOM 763 C LYS A 53 100.043 -0.626 -9.827 1.00 0.00 C ATOM 764 O LYS A 53 100.335 -1.403 -10.715 1.00 0.00 O ATOM 765 CB LYS A 53 99.221 1.726 -9.909 1.00 0.00 C ATOM 766 CG LYS A 53 98.121 2.605 -9.314 1.00 0.00 C ATOM 767 CD LYS A 53 97.644 3.608 -10.367 1.00 0.00 C ATOM 768 CE LYS A 53 96.301 3.149 -10.940 1.00 0.00 C ATOM 769 NZ LYS A 53 95.275 3.765 -10.052 1.00 0.00 N ATOM 0 H LYS A 53 98.081 0.803 -7.961 1.00 0.00 H new ATOM 0 HA LYS A 53 98.229 -0.009 -10.783 1.00 0.00 H new ATOM 0 HB2 LYS A 53 100.143 1.855 -9.342 1.00 0.00 H new ATOM 0 HB3 LYS A 53 99.430 2.039 -10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 53 97.287 1.987 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 53 98.497 3.133 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 53 97.542 4.598 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 53 98.382 3.692 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 53 96.179 3.477 -11.972 1.00 0.00 H new ATOM 0 HE3 LYS A 53 96.222 2.062 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 94.325 3.496 -10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 95.412 3.429 -9.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.370 4.800 -10.078 1.00 0.00 H new ATOM 783 N GLN A 54 100.768 -0.498 -8.758 1.00 0.00 N ATOM 784 CA GLN A 54 101.999 -1.309 -8.581 1.00 0.00 C ATOM 785 C GLN A 54 101.669 -2.787 -8.781 1.00 0.00 C ATOM 786 O GLN A 54 102.469 -3.554 -9.279 1.00 0.00 O ATOM 787 CB GLN A 54 102.439 -1.050 -7.141 1.00 0.00 C ATOM 788 CG GLN A 54 103.170 0.291 -7.061 1.00 0.00 C ATOM 789 CD GLN A 54 104.663 0.045 -6.845 1.00 0.00 C ATOM 790 OE1 GLN A 54 105.222 -0.886 -7.390 1.00 0.00 O ATOM 791 NE2 GLN A 54 105.339 0.845 -6.066 1.00 0.00 N ATOM 0 H GLN A 54 100.559 0.140 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 54 102.780 -1.049 -9.295 1.00 0.00 H new ATOM 0 HB2 GLN A 54 101.572 -1.043 -6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 54 103.093 -1.853 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 54 103.013 0.858 -7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 54 102.767 0.889 -6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 54 104.871 1.627 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 54 106.336 0.688 -5.915 1.00 0.00 H new ATOM 800 N ALA A 55 100.489 -3.185 -8.395 1.00 0.00 N ATOM 801 CA ALA A 55 100.092 -4.613 -8.558 1.00 0.00 C ATOM 802 C ALA A 55 100.032 -4.970 -10.045 1.00 0.00 C ATOM 803 O ALA A 55 100.504 -6.009 -10.462 1.00 0.00 O ATOM 804 CB ALA A 55 98.705 -4.714 -7.922 1.00 0.00 C ATOM 0 H ALA A 55 99.781 -2.583 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 55 100.800 -5.299 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 55 98.342 -5.739 -8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 55 98.765 -4.431 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 55 98.018 -4.044 -8.439 1.00 0.00 H new ATOM 810 N LYS A 56 99.459 -4.116 -10.847 1.00 0.00 N ATOM 811 CA LYS A 56 99.374 -4.409 -12.308 1.00 0.00 C ATOM 812 C LYS A 56 100.780 -4.552 -12.902 1.00 0.00 C ATOM 813 O LYS A 56 101.035 -5.415 -13.717 1.00 0.00 O ATOM 814 CB LYS A 56 98.654 -3.203 -12.914 1.00 0.00 C ATOM 815 CG LYS A 56 97.140 -3.395 -12.794 1.00 0.00 C ATOM 816 CD LYS A 56 96.561 -3.765 -14.162 1.00 0.00 C ATOM 817 CE LYS A 56 95.373 -2.855 -14.479 1.00 0.00 C ATOM 818 NZ LYS A 56 95.031 -3.149 -15.898 1.00 0.00 N ATOM 0 H LYS A 56 99.046 -3.230 -10.556 1.00 0.00 H new ATOM 0 HA LYS A 56 98.847 -5.341 -12.512 1.00 0.00 H new ATOM 0 HB2 LYS A 56 98.957 -2.290 -12.401 1.00 0.00 H new ATOM 0 HB3 LYS A 56 98.934 -3.088 -13.961 1.00 0.00 H new ATOM 0 HG2 LYS A 56 96.919 -4.179 -12.070 1.00 0.00 H new ATOM 0 HG3 LYS A 56 96.675 -2.480 -12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 56 97.326 -3.663 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 56 96.244 -4.808 -14.164 1.00 0.00 H new ATOM 0 HE2 LYS A 56 94.530 -3.061 -13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 56 95.633 -1.805 -14.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 94.223 -2.562 -16.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 95.849 -2.937 -16.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 94.781 -4.154 -15.994 1.00 0.00 H new ATOM 832 N LYS A 57 101.692 -3.708 -12.499 1.00 0.00 N ATOM 833 CA LYS A 57 103.076 -3.787 -13.039 1.00 0.00 C ATOM 834 C LYS A 57 103.700 -5.147 -12.714 1.00 0.00 C ATOM 835 O LYS A 57 104.486 -5.678 -13.473 1.00 0.00 O ATOM 836 CB LYS A 57 103.841 -2.666 -12.332 1.00 0.00 C ATOM 837 CG LYS A 57 104.267 -1.610 -13.354 1.00 0.00 C ATOM 838 CD LYS A 57 105.252 -0.637 -12.703 1.00 0.00 C ATOM 839 CE LYS A 57 106.076 0.062 -13.788 1.00 0.00 C ATOM 840 NZ LYS A 57 105.162 1.090 -14.360 1.00 0.00 N ATOM 0 H LYS A 57 101.535 -2.966 -11.817 1.00 0.00 H new ATOM 0 HA LYS A 57 103.100 -3.680 -14.123 1.00 0.00 H new ATOM 0 HB2 LYS A 57 103.214 -2.212 -11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 57 104.718 -3.072 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 57 104.730 -2.089 -14.217 1.00 0.00 H new ATOM 0 HG3 LYS A 57 103.394 -1.070 -13.720 1.00 0.00 H new ATOM 0 HD2 LYS A 57 104.712 0.101 -12.110 1.00 0.00 H new ATOM 0 HD3 LYS A 57 105.911 -1.173 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 57 106.973 0.519 -13.370 1.00 0.00 H new ATOM 0 HE3 LYS A 57 106.404 -0.644 -14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 105.133 0.991 -15.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 104.206 0.959 -13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 105.508 2.039 -14.113 1.00 0.00 H new ATOM 854 N LEU A 58 103.365 -5.710 -11.585 1.00 0.00 N ATOM 855 CA LEU A 58 103.944 -7.024 -11.204 1.00 0.00 C ATOM 856 C LEU A 58 103.673 -8.066 -12.292 1.00 0.00 C ATOM 857 O LEU A 58 102.539 -8.382 -12.593 1.00 0.00 O ATOM 858 CB LEU A 58 103.230 -7.407 -9.910 1.00 0.00 C ATOM 859 CG LEU A 58 104.156 -7.144 -8.723 1.00 0.00 C ATOM 860 CD1 LEU A 58 103.752 -5.838 -8.038 1.00 0.00 C ATOM 861 CD2 LEU A 58 104.038 -8.298 -7.726 1.00 0.00 C ATOM 0 H LEU A 58 102.712 -5.313 -10.909 1.00 0.00 H new ATOM 0 HA LEU A 58 105.026 -6.975 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 58 102.311 -6.830 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.944 -8.459 -9.937 1.00 0.00 H new ATOM 0 HG LEU A 58 105.185 -7.065 -9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.413 -5.651 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 58 103.831 -5.015 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 58 102.724 -5.915 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 58 104.697 -8.115 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 58 103.008 -8.373 -7.376 1.00 0.00 H new ATOM 0 HD23 LEU A 58 104.324 -9.230 -8.213 1.00 0.00 H new ATOM 873 N ASP A 59 104.704 -8.606 -12.882 1.00 0.00 N ATOM 874 CA ASP A 59 104.498 -9.632 -13.943 1.00 0.00 C ATOM 875 C ASP A 59 103.441 -10.641 -13.490 1.00 0.00 C ATOM 876 O ASP A 59 102.476 -10.898 -14.183 1.00 0.00 O ATOM 877 CB ASP A 59 105.857 -10.313 -14.108 1.00 0.00 C ATOM 878 CG ASP A 59 106.027 -10.768 -15.558 1.00 0.00 C ATOM 879 OD1 ASP A 59 105.568 -10.060 -16.439 1.00 0.00 O ATOM 880 OD2 ASP A 59 106.614 -11.817 -15.765 1.00 0.00 O ATOM 0 H ASP A 59 105.678 -8.382 -12.676 1.00 0.00 H new ATOM 0 HA ASP A 59 104.148 -9.199 -14.880 1.00 0.00 H new ATOM 0 HB2 ASP A 59 106.656 -9.624 -13.836 1.00 0.00 H new ATOM 0 HB3 ASP A 59 105.931 -11.168 -13.436 1.00 0.00 H new ATOM 885 N SER A 60 103.614 -11.212 -12.329 1.00 0.00 N ATOM 886 CA SER A 60 102.619 -12.200 -11.828 1.00 0.00 C ATOM 887 C SER A 60 101.200 -11.690 -12.094 1.00 0.00 C ATOM 888 O SER A 60 100.301 -12.451 -12.392 1.00 0.00 O ATOM 889 CB SER A 60 102.880 -12.303 -10.327 1.00 0.00 C ATOM 890 OG SER A 60 103.437 -13.577 -10.033 1.00 0.00 O ATOM 0 H SER A 60 104.402 -11.036 -11.706 1.00 0.00 H new ATOM 0 HA SER A 60 102.710 -13.168 -12.321 1.00 0.00 H new ATOM 0 HB2 SER A 60 103.561 -11.514 -10.010 1.00 0.00 H new ATOM 0 HB3 SER A 60 101.951 -12.163 -9.774 1.00 0.00 H new ATOM 0 HG SER A 60 102.851 -14.054 -9.409 1.00 0.00 H new ATOM 896 N CYS A 61 100.995 -10.405 -11.995 1.00 0.00 N ATOM 897 CA CYS A 61 99.637 -9.844 -12.249 1.00 0.00 C ATOM 898 C CYS A 61 99.394 -9.739 -13.756 1.00 0.00 C ATOM 899 O CYS A 61 98.357 -10.129 -14.257 1.00 0.00 O ATOM 900 CB CYS A 61 99.657 -8.454 -11.610 1.00 0.00 C ATOM 901 SG CYS A 61 99.831 -8.619 -9.817 1.00 0.00 S ATOM 0 H CYS A 61 101.709 -9.719 -11.749 1.00 0.00 H new ATOM 0 HA CYS A 61 98.843 -10.467 -11.837 1.00 0.00 H new ATOM 0 HB2 CYS A 61 100.482 -7.868 -12.014 1.00 0.00 H new ATOM 0 HB3 CYS A 61 98.738 -7.918 -11.849 1.00 0.00 H new ATOM 906 N LYS A 62 100.345 -9.218 -14.482 1.00 0.00 N ATOM 907 CA LYS A 62 100.176 -9.090 -15.959 1.00 0.00 C ATOM 908 C LYS A 62 100.004 -10.472 -16.596 1.00 0.00 C ATOM 909 O LYS A 62 99.557 -10.597 -17.719 1.00 0.00 O ATOM 910 CB LYS A 62 101.466 -8.432 -16.448 1.00 0.00 C ATOM 911 CG LYS A 62 101.304 -8.003 -17.907 1.00 0.00 C ATOM 912 CD LYS A 62 102.459 -7.077 -18.299 1.00 0.00 C ATOM 913 CE LYS A 62 103.118 -7.595 -19.580 1.00 0.00 C ATOM 914 NZ LYS A 62 104.526 -7.893 -19.196 1.00 0.00 N ATOM 0 H LYS A 62 101.233 -8.875 -14.116 1.00 0.00 H new ATOM 0 HA LYS A 62 99.294 -8.508 -16.224 1.00 0.00 H new ATOM 0 HB2 LYS A 62 101.702 -7.567 -15.828 1.00 0.00 H new ATOM 0 HB3 LYS A 62 102.299 -9.128 -16.354 1.00 0.00 H new ATOM 0 HG2 LYS A 62 101.290 -8.879 -18.555 1.00 0.00 H new ATOM 0 HG3 LYS A 62 100.351 -7.491 -18.043 1.00 0.00 H new ATOM 0 HD2 LYS A 62 102.090 -6.063 -18.452 1.00 0.00 H new ATOM 0 HD3 LYS A 62 103.192 -7.031 -17.493 1.00 0.00 H new ATOM 0 HE2 LYS A 62 102.613 -8.487 -19.951 1.00 0.00 H new ATOM 0 HE3 LYS A 62 103.075 -6.850 -20.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 105.043 -8.253 -20.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 104.984 -7.024 -18.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 104.536 -8.610 -18.443 1.00 0.00 H new ATOM 928 N VAL A 63 100.365 -11.511 -15.891 1.00 0.00 N ATOM 929 CA VAL A 63 100.229 -12.881 -16.460 1.00 0.00 C ATOM 930 C VAL A 63 99.054 -13.621 -15.813 1.00 0.00 C ATOM 931 O VAL A 63 98.987 -14.833 -15.834 1.00 0.00 O ATOM 932 CB VAL A 63 101.546 -13.576 -16.121 1.00 0.00 C ATOM 933 CG1 VAL A 63 102.717 -12.700 -16.567 1.00 0.00 C ATOM 934 CG2 VAL A 63 101.626 -13.804 -14.609 1.00 0.00 C ATOM 0 H VAL A 63 100.748 -11.469 -14.946 1.00 0.00 H new ATOM 0 HA VAL A 63 100.034 -12.862 -17.532 1.00 0.00 H new ATOM 0 HB VAL A 63 101.594 -14.535 -16.638 1.00 0.00 H new ATOM 0 HG11 VAL A 63 103.656 -13.197 -16.324 1.00 0.00 H new ATOM 0 HG12 VAL A 63 102.660 -12.537 -17.643 1.00 0.00 H new ATOM 0 HG13 VAL A 63 102.671 -11.741 -16.052 1.00 0.00 H new ATOM 0 HG21 VAL A 63 102.565 -14.300 -14.365 1.00 0.00 H new ATOM 0 HG22 VAL A 63 101.577 -12.845 -14.093 1.00 0.00 H new ATOM 0 HG23 VAL A 63 100.792 -14.430 -14.291 1.00 0.00 H new ATOM 1019 N TYR A 69 91.079 -6.040 -10.747 1.00 0.00 N ATOM 1020 CA TYR A 69 89.720 -5.936 -10.143 1.00 0.00 C ATOM 1021 C TYR A 69 89.097 -7.327 -9.991 1.00 0.00 C ATOM 1022 O TYR A 69 88.683 -7.719 -8.919 1.00 0.00 O ATOM 1023 CB TYR A 69 88.915 -5.092 -11.132 1.00 0.00 C ATOM 1024 CG TYR A 69 88.950 -3.629 -10.704 1.00 0.00 C ATOM 1025 CD1 TYR A 69 90.177 -2.992 -10.485 1.00 0.00 C ATOM 1026 CD2 TYR A 69 87.753 -2.923 -10.533 1.00 0.00 C ATOM 1027 CE1 TYR A 69 90.207 -1.648 -10.094 1.00 0.00 C ATOM 1028 CE2 TYR A 69 87.784 -1.579 -10.141 1.00 0.00 C ATOM 1029 CZ TYR A 69 89.010 -0.942 -9.922 1.00 0.00 C ATOM 1030 OH TYR A 69 89.040 0.384 -9.537 1.00 0.00 O ATOM 0 HA TYR A 69 89.743 -5.491 -9.148 1.00 0.00 H new ATOM 0 HB2 TYR A 69 89.327 -5.198 -12.135 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.885 -5.445 -11.172 1.00 0.00 H new ATOM 0 HD1 TYR A 69 91.100 -3.537 -10.618 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.807 -3.415 -10.703 1.00 0.00 H new ATOM 0 HE1 TYR A 69 91.153 -1.156 -9.925 1.00 0.00 H new ATOM 0 HE2 TYR A 69 86.861 -1.034 -10.008 1.00 0.00 H new ATOM 0 HH TYR A 69 88.124 0.724 -9.465 1.00 0.00 H new ATOM 1040 N THR A 70 89.026 -8.075 -11.058 1.00 0.00 N ATOM 1041 CA THR A 70 88.431 -9.435 -10.976 1.00 0.00 C ATOM 1042 C THR A 70 89.104 -10.236 -9.862 1.00 0.00 C ATOM 1043 O THR A 70 88.548 -11.177 -9.333 1.00 0.00 O ATOM 1044 CB THR A 70 88.710 -10.072 -12.337 1.00 0.00 C ATOM 1045 OG1 THR A 70 89.978 -9.641 -12.809 1.00 0.00 O ATOM 1046 CG2 THR A 70 87.624 -9.654 -13.330 1.00 0.00 C ATOM 0 H THR A 70 89.355 -7.801 -11.984 1.00 0.00 H new ATOM 0 HA THR A 70 87.365 -9.408 -10.750 1.00 0.00 H new ATOM 0 HB THR A 70 88.709 -11.157 -12.238 1.00 0.00 H new ATOM 0 HG1 THR A 70 90.159 -10.050 -13.681 1.00 0.00 H new ATOM 0 HG21 THR A 70 87.824 -10.109 -14.300 1.00 0.00 H new ATOM 0 HG22 THR A 70 86.651 -9.986 -12.967 1.00 0.00 H new ATOM 0 HG23 THR A 70 87.622 -8.569 -13.431 1.00 0.00 H new ATOM 1054 N ASN A 71 90.302 -9.867 -9.503 1.00 0.00 N ATOM 1055 CA ASN A 71 91.018 -10.602 -8.421 1.00 0.00 C ATOM 1056 C ASN A 71 90.082 -10.843 -7.234 1.00 0.00 C ATOM 1057 O ASN A 71 89.176 -10.074 -6.981 1.00 0.00 O ATOM 1058 CB ASN A 71 92.173 -9.685 -8.015 1.00 0.00 C ATOM 1059 CG ASN A 71 93.195 -10.482 -7.202 1.00 0.00 C ATOM 1060 OD1 ASN A 71 92.833 -11.229 -6.316 1.00 0.00 O ATOM 1061 ND2 ASN A 71 94.466 -10.353 -7.469 1.00 0.00 N ATOM 0 H ASN A 71 90.817 -9.088 -9.912 1.00 0.00 H new ATOM 0 HA ASN A 71 91.370 -11.580 -8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 71 92.646 -9.264 -8.902 1.00 0.00 H new ATOM 0 HB3 ASN A 71 91.797 -8.848 -7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 71 95.156 -10.880 -6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 71 94.770 -9.725 -8.213 1.00 0.00 H new ATOM 1068 N ASN A 72 90.292 -11.904 -6.504 1.00 0.00 N ATOM 1069 CA ASN A 72 89.414 -12.192 -5.334 1.00 0.00 C ATOM 1070 C ASN A 72 90.209 -12.913 -4.242 1.00 0.00 C ATOM 1071 O ASN A 72 90.092 -14.109 -4.061 1.00 0.00 O ATOM 1072 CB ASN A 72 88.310 -13.101 -5.878 1.00 0.00 C ATOM 1073 CG ASN A 72 87.133 -12.249 -6.357 1.00 0.00 C ATOM 1074 OD1 ASN A 72 86.324 -11.808 -5.565 1.00 0.00 O ATOM 1075 ND2 ASN A 72 87.004 -11.995 -7.631 1.00 0.00 N ATOM 0 H ASN A 72 91.034 -12.585 -6.667 1.00 0.00 H new ATOM 0 HA ASN A 72 89.011 -11.283 -4.888 1.00 0.00 H new ATOM 0 HB2 ASN A 72 88.694 -13.704 -6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 72 87.980 -13.793 -5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 72 86.224 -11.426 -7.961 1.00 0.00 H new ATOM 0 HD22 ASN A 72 87.683 -12.365 -8.296 1.00 0.00 H new ATOM 1082 N TYR A 73 91.017 -12.194 -3.512 1.00 0.00 N ATOM 1083 CA TYR A 73 91.818 -12.837 -2.432 1.00 0.00 C ATOM 1084 C TYR A 73 90.927 -13.148 -1.226 1.00 0.00 C ATOM 1085 O TYR A 73 89.855 -12.596 -1.077 1.00 0.00 O ATOM 1086 CB TYR A 73 92.876 -11.800 -2.053 1.00 0.00 C ATOM 1087 CG TYR A 73 92.189 -10.550 -1.559 1.00 0.00 C ATOM 1088 CD1 TYR A 73 91.577 -10.539 -0.301 1.00 0.00 C ATOM 1089 CD2 TYR A 73 92.162 -9.404 -2.362 1.00 0.00 C ATOM 1090 CE1 TYR A 73 90.937 -9.381 0.156 1.00 0.00 C ATOM 1091 CE2 TYR A 73 91.522 -8.245 -1.904 1.00 0.00 C ATOM 1092 CZ TYR A 73 90.909 -8.235 -0.646 1.00 0.00 C ATOM 1093 OH TYR A 73 90.278 -7.093 -0.196 1.00 0.00 O ATOM 0 H TYR A 73 91.157 -11.189 -3.617 1.00 0.00 H new ATOM 0 HA TYR A 73 92.262 -13.779 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 73 93.533 -12.198 -1.280 1.00 0.00 H new ATOM 0 HB3 TYR A 73 93.502 -11.569 -2.915 1.00 0.00 H new ATOM 0 HD1 TYR A 73 91.598 -11.424 0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 73 92.634 -9.413 -3.333 1.00 0.00 H new ATOM 0 HE1 TYR A 73 90.465 -9.372 1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 73 91.502 -7.359 -2.522 1.00 0.00 H new ATOM 0 HH TYR A 73 90.537 -6.333 -0.758 1.00 0.00 H new ATOM 1103 N SER A 74 91.364 -14.023 -0.364 1.00 0.00 N ATOM 1104 CA SER A 74 90.545 -14.363 0.835 1.00 0.00 C ATOM 1105 C SER A 74 91.339 -14.065 2.110 1.00 0.00 C ATOM 1106 O SER A 74 92.541 -13.888 2.074 1.00 0.00 O ATOM 1107 CB SER A 74 90.260 -15.858 0.713 1.00 0.00 C ATOM 1108 OG SER A 74 88.866 -16.084 0.873 1.00 0.00 O ATOM 0 H SER A 74 92.253 -14.518 -0.437 1.00 0.00 H new ATOM 0 HA SER A 74 89.625 -13.782 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 74 90.591 -16.225 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 74 90.819 -16.410 1.469 1.00 0.00 H new ATOM 0 HG SER A 74 88.679 -17.043 0.794 1.00 0.00 H new ATOM 1114 N TYR A 75 90.681 -14.002 3.236 1.00 0.00 N ATOM 1115 CA TYR A 75 91.411 -13.709 4.502 1.00 0.00 C ATOM 1116 C TYR A 75 90.483 -13.873 5.709 1.00 0.00 C ATOM 1117 O TYR A 75 89.314 -14.171 5.573 1.00 0.00 O ATOM 1118 CB TYR A 75 91.849 -12.251 4.369 1.00 0.00 C ATOM 1119 CG TYR A 75 90.627 -11.348 4.477 1.00 0.00 C ATOM 1120 CD1 TYR A 75 89.692 -11.312 3.436 1.00 0.00 C ATOM 1121 CD2 TYR A 75 90.435 -10.559 5.617 1.00 0.00 C ATOM 1122 CE1 TYR A 75 88.565 -10.488 3.534 1.00 0.00 C ATOM 1123 CE2 TYR A 75 89.308 -9.734 5.715 1.00 0.00 C ATOM 1124 CZ TYR A 75 88.373 -9.699 4.673 1.00 0.00 C ATOM 1125 OH TYR A 75 87.260 -8.887 4.772 1.00 0.00 O ATOM 0 H TYR A 75 89.675 -14.140 3.334 1.00 0.00 H new ATOM 0 HA TYR A 75 92.252 -14.385 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 75 92.569 -12.003 5.149 1.00 0.00 H new ATOM 0 HB3 TYR A 75 92.348 -12.095 3.413 1.00 0.00 H new ATOM 0 HD1 TYR A 75 89.840 -11.921 2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 75 91.156 -10.587 6.421 1.00 0.00 H new ATOM 0 HE1 TYR A 75 87.844 -10.461 2.731 1.00 0.00 H new ATOM 0 HE2 TYR A 75 89.160 -9.125 6.594 1.00 0.00 H new ATOM 0 HH TYR A 75 87.344 -8.139 4.144 1.00 0.00 H new ATOM 1135 N SER A 76 91.002 -13.666 6.889 1.00 0.00 N ATOM 1136 CA SER A 76 90.162 -13.793 8.114 1.00 0.00 C ATOM 1137 C SER A 76 90.465 -12.630 9.060 1.00 0.00 C ATOM 1138 O SER A 76 91.428 -11.914 8.880 1.00 0.00 O ATOM 1139 CB SER A 76 90.568 -15.123 8.747 1.00 0.00 C ATOM 1140 OG SER A 76 90.117 -16.191 7.925 1.00 0.00 O ATOM 0 H SER A 76 91.976 -13.413 7.058 1.00 0.00 H new ATOM 0 HA SER A 76 89.095 -13.767 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 76 91.651 -15.169 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 76 90.138 -15.210 9.745 1.00 0.00 H new ATOM 0 HG SER A 76 90.377 -17.046 8.327 1.00 0.00 H new ATOM 1146 N CYS A 77 89.659 -12.426 10.062 1.00 0.00 N ATOM 1147 CA CYS A 77 89.927 -11.300 11.001 1.00 0.00 C ATOM 1148 C CYS A 77 90.103 -11.820 12.421 1.00 0.00 C ATOM 1149 O CYS A 77 89.764 -12.943 12.738 1.00 0.00 O ATOM 1150 CB CYS A 77 88.700 -10.396 10.911 1.00 0.00 C ATOM 1151 SG CYS A 77 88.780 -9.097 12.170 1.00 0.00 S ATOM 0 H CYS A 77 88.832 -12.985 10.272 1.00 0.00 H new ATOM 0 HA CYS A 77 90.843 -10.767 10.744 1.00 0.00 H new ATOM 0 HB2 CYS A 77 88.643 -9.947 9.919 1.00 0.00 H new ATOM 0 HB3 CYS A 77 87.794 -10.987 11.046 1.00 0.00 H new ATOM 1156 N SER A 78 90.632 -11.001 13.274 1.00 0.00 N ATOM 1157 CA SER A 78 90.846 -11.414 14.694 1.00 0.00 C ATOM 1158 C SER A 78 91.752 -10.407 15.409 1.00 0.00 C ATOM 1159 O SER A 78 92.620 -9.804 14.809 1.00 0.00 O ATOM 1160 CB SER A 78 91.528 -12.783 14.621 1.00 0.00 C ATOM 1161 OG SER A 78 92.447 -12.791 13.536 1.00 0.00 O ATOM 0 H SER A 78 90.931 -10.051 13.053 1.00 0.00 H new ATOM 0 HA SER A 78 89.910 -11.456 15.251 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.048 -12.993 15.555 1.00 0.00 H new ATOM 0 HB3 SER A 78 90.783 -13.567 14.488 1.00 0.00 H new ATOM 0 HG SER A 78 92.887 -13.665 13.487 1.00 0.00 H new ATOM 1167 N ASN A 79 91.558 -10.225 16.688 1.00 0.00 N ATOM 1168 CA ASN A 79 92.406 -9.260 17.448 1.00 0.00 C ATOM 1169 C ASN A 79 92.637 -7.991 16.624 1.00 0.00 C ATOM 1170 O ASN A 79 93.756 -7.558 16.429 1.00 0.00 O ATOM 1171 CB ASN A 79 93.726 -9.993 17.687 1.00 0.00 C ATOM 1172 CG ASN A 79 93.471 -11.244 18.528 1.00 0.00 C ATOM 1173 OD1 ASN A 79 93.014 -11.153 19.650 1.00 0.00 O ATOM 1174 ND2 ASN A 79 93.746 -12.418 18.030 1.00 0.00 N ATOM 0 H ASN A 79 90.847 -10.704 17.241 1.00 0.00 H new ATOM 0 HA ASN A 79 91.938 -8.949 18.382 1.00 0.00 H new ATOM 0 HB2 ASN A 79 94.179 -10.269 16.734 1.00 0.00 H new ATOM 0 HB3 ASN A 79 94.431 -9.337 18.197 1.00 0.00 H new ATOM 0 HD21 ASN A 79 93.577 -13.259 18.583 1.00 0.00 H new ATOM 0 HD22 ASN A 79 94.130 -12.495 17.088 1.00 0.00 H new ATOM 1181 N ASN A 80 91.585 -7.394 16.139 1.00 0.00 N ATOM 1182 CA ASN A 80 91.726 -6.163 15.330 1.00 0.00 C ATOM 1183 C ASN A 80 92.874 -6.329 14.345 1.00 0.00 C ATOM 1184 O ASN A 80 93.633 -5.417 14.083 1.00 0.00 O ATOM 1185 CB ASN A 80 92.007 -5.055 16.338 1.00 0.00 C ATOM 1186 CG ASN A 80 91.097 -5.202 17.530 1.00 0.00 C ATOM 1187 OD1 ASN A 80 89.963 -5.782 17.371 1.00 0.00 O flip ATOM 1188 ND2 ASN A 80 91.426 -4.784 18.622 1.00 0.00 N flip ATOM 0 H ASN A 80 90.626 -7.714 16.273 1.00 0.00 H new ATOM 0 HA ASN A 80 90.838 -5.938 14.740 1.00 0.00 H new ATOM 0 HB2 ASN A 80 93.048 -5.098 16.657 1.00 0.00 H new ATOM 0 HB3 ASN A 80 91.856 -4.081 15.872 1.00 0.00 H new ATOM 0 HD21 ASN A 80 92.329 -4.324 18.741 1.00 0.00 H new ATOM 0 HD22 ASN A 80 90.800 -4.893 19.420 1.00 0.00 H new ATOM 1195 N GLU A 81 92.985 -7.497 13.794 1.00 0.00 N ATOM 1196 CA GLU A 81 94.060 -7.766 12.811 1.00 0.00 C ATOM 1197 C GLU A 81 93.504 -8.512 11.601 1.00 0.00 C ATOM 1198 O GLU A 81 92.500 -9.191 11.680 1.00 0.00 O ATOM 1199 CB GLU A 81 95.082 -8.624 13.546 1.00 0.00 C ATOM 1200 CG GLU A 81 95.895 -7.736 14.481 1.00 0.00 C ATOM 1201 CD GLU A 81 97.388 -7.931 14.209 1.00 0.00 C ATOM 1202 OE1 GLU A 81 97.760 -9.022 13.807 1.00 0.00 O ATOM 1203 OE2 GLU A 81 98.134 -6.986 14.405 1.00 0.00 O ATOM 0 H GLU A 81 92.369 -8.287 13.985 1.00 0.00 H new ATOM 0 HA GLU A 81 94.504 -6.844 12.437 1.00 0.00 H new ATOM 0 HB2 GLU A 81 94.578 -9.406 14.113 1.00 0.00 H new ATOM 0 HB3 GLU A 81 95.739 -9.121 12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 81 95.622 -6.691 14.334 1.00 0.00 H new ATOM 0 HG3 GLU A 81 95.669 -7.981 15.519 1.00 0.00 H new ATOM 1210 N ILE A 82 94.151 -8.385 10.481 1.00 0.00 N ATOM 1211 CA ILE A 82 93.662 -9.079 9.255 1.00 0.00 C ATOM 1212 C ILE A 82 94.476 -10.348 8.992 1.00 0.00 C ATOM 1213 O ILE A 82 95.684 -10.368 9.130 1.00 0.00 O ATOM 1214 CB ILE A 82 93.858 -8.069 8.125 1.00 0.00 C ATOM 1215 CG1 ILE A 82 92.917 -6.879 8.345 1.00 0.00 C ATOM 1216 CG2 ILE A 82 93.535 -8.733 6.785 1.00 0.00 C ATOM 1217 CD1 ILE A 82 93.162 -5.825 7.264 1.00 0.00 C ATOM 0 H ILE A 82 94.998 -7.831 10.358 1.00 0.00 H new ATOM 0 HA ILE A 82 92.622 -9.392 9.349 1.00 0.00 H new ATOM 0 HB ILE A 82 94.892 -7.723 8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 82 91.880 -7.212 8.314 1.00 0.00 H new ATOM 0 HG13 ILE A 82 93.084 -6.448 9.332 1.00 0.00 H new ATOM 0 HG21 ILE A 82 93.675 -8.013 5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 82 94.199 -9.583 6.631 1.00 0.00 H new ATOM 0 HG23 ILE A 82 92.501 -9.077 6.789 1.00 0.00 H new ATOM 0 HD11 ILE A 82 92.492 -4.980 7.422 1.00 0.00 H new ATOM 0 HD12 ILE A 82 94.196 -5.484 7.316 1.00 0.00 H new ATOM 0 HD13 ILE A 82 92.973 -6.260 6.282 1.00 0.00 H new ATOM 1229 N THR A 83 93.816 -11.409 8.618 1.00 0.00 N ATOM 1230 CA THR A 83 94.532 -12.689 8.345 1.00 0.00 C ATOM 1231 C THR A 83 94.369 -13.079 6.870 1.00 0.00 C ATOM 1232 O THR A 83 93.383 -13.671 6.484 1.00 0.00 O ATOM 1233 CB THR A 83 93.847 -13.709 9.266 1.00 0.00 C ATOM 1234 OG1 THR A 83 94.469 -13.680 10.542 1.00 0.00 O ATOM 1235 CG2 THR A 83 93.959 -15.119 8.677 1.00 0.00 C ATOM 0 H THR A 83 92.805 -11.445 8.489 1.00 0.00 H new ATOM 0 HA THR A 83 95.604 -12.626 8.530 1.00 0.00 H new ATOM 0 HB THR A 83 92.793 -13.450 9.360 1.00 0.00 H new ATOM 0 HG1 THR A 83 94.033 -14.329 11.133 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.469 -15.831 9.341 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.478 -15.144 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 83 95.010 -15.387 8.571 1.00 0.00 H new ATOM 1243 N CYS A 84 95.327 -12.757 6.044 1.00 0.00 N ATOM 1244 CA CYS A 84 95.210 -13.123 4.602 1.00 0.00 C ATOM 1245 C CYS A 84 95.820 -14.504 4.355 1.00 0.00 C ATOM 1246 O CYS A 84 96.875 -14.829 4.864 1.00 0.00 O ATOM 1247 CB CYS A 84 95.995 -12.049 3.850 1.00 0.00 C ATOM 1248 SG CYS A 84 94.963 -11.362 2.531 1.00 0.00 S ATOM 0 H CYS A 84 96.180 -12.260 6.302 1.00 0.00 H new ATOM 0 HA CYS A 84 94.172 -13.171 4.274 1.00 0.00 H new ATOM 0 HB2 CYS A 84 96.301 -11.259 4.536 1.00 0.00 H new ATOM 0 HB3 CYS A 84 96.905 -12.476 3.429 1.00 0.00 H new ATOM 1253 N SER A 85 95.164 -15.320 3.577 1.00 0.00 N ATOM 1254 CA SER A 85 95.702 -16.682 3.295 1.00 0.00 C ATOM 1255 C SER A 85 97.047 -16.582 2.571 1.00 0.00 C ATOM 1256 O SER A 85 97.159 -15.957 1.534 1.00 0.00 O ATOM 1257 CB SER A 85 94.656 -17.342 2.397 1.00 0.00 C ATOM 1258 OG SER A 85 95.106 -17.310 1.048 1.00 0.00 O ATOM 0 H SER A 85 94.277 -15.103 3.123 1.00 0.00 H new ATOM 0 HA SER A 85 95.876 -17.254 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 85 94.488 -18.372 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 85 93.703 -16.821 2.487 1.00 0.00 H new ATOM 0 HG SER A 85 95.710 -16.548 0.923 1.00 0.00 H new ATOM 1264 N SER A 86 98.069 -17.191 3.108 1.00 0.00 N ATOM 1265 CA SER A 86 99.405 -17.127 2.449 1.00 0.00 C ATOM 1266 C SER A 86 99.334 -17.730 1.045 1.00 0.00 C ATOM 1267 O SER A 86 100.222 -17.549 0.236 1.00 0.00 O ATOM 1268 CB SER A 86 100.328 -17.954 3.343 1.00 0.00 C ATOM 1269 OG SER A 86 99.907 -19.311 3.325 1.00 0.00 O ATOM 0 H SER A 86 98.037 -17.730 3.974 1.00 0.00 H new ATOM 0 HA SER A 86 99.759 -16.103 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 86 101.357 -17.876 2.993 1.00 0.00 H new ATOM 0 HB3 SER A 86 100.307 -17.568 4.362 1.00 0.00 H new ATOM 0 HG SER A 86 100.498 -19.845 3.896 1.00 0.00 H new ATOM 1275 N GLU A 87 98.281 -18.439 0.745 1.00 0.00 N ATOM 1276 CA GLU A 87 98.155 -19.045 -0.611 1.00 0.00 C ATOM 1277 C GLU A 87 98.279 -17.957 -1.676 1.00 0.00 C ATOM 1278 O GLU A 87 98.702 -18.204 -2.788 1.00 0.00 O ATOM 1279 CB GLU A 87 96.759 -19.668 -0.640 1.00 0.00 C ATOM 1280 CG GLU A 87 96.818 -21.078 -0.049 1.00 0.00 C ATOM 1281 CD GLU A 87 95.437 -21.729 -0.146 1.00 0.00 C ATOM 1282 OE1 GLU A 87 94.877 -21.727 -1.229 1.00 0.00 O ATOM 1283 OE2 GLU A 87 94.963 -22.219 0.867 1.00 0.00 O ATOM 0 H GLU A 87 97.504 -18.625 1.379 1.00 0.00 H new ATOM 0 HA GLU A 87 98.931 -19.784 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 87 96.062 -19.052 -0.071 1.00 0.00 H new ATOM 0 HB3 GLU A 87 96.387 -19.706 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 87 97.553 -21.678 -0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 87 97.139 -21.035 0.992 1.00 0.00 H new ATOM 1290 N ASN A 88 97.911 -16.752 -1.343 1.00 0.00 N ATOM 1291 CA ASN A 88 98.005 -15.643 -2.328 1.00 0.00 C ATOM 1292 C ASN A 88 99.404 -15.603 -2.949 1.00 0.00 C ATOM 1293 O ASN A 88 100.400 -15.640 -2.254 1.00 0.00 O ATOM 1294 CB ASN A 88 97.739 -14.372 -1.521 1.00 0.00 C ATOM 1295 CG ASN A 88 96.408 -14.504 -0.779 1.00 0.00 C ATOM 1296 OD1 ASN A 88 95.540 -15.251 -1.190 1.00 0.00 O ATOM 1297 ND2 ASN A 88 96.207 -13.807 0.306 1.00 0.00 N ATOM 0 H ASN A 88 97.548 -16.488 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 88 97.298 -15.759 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 88 98.548 -14.205 -0.810 1.00 0.00 H new ATOM 0 HB3 ASN A 88 97.713 -13.507 -2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 88 95.323 -13.889 0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 88 96.934 -13.180 0.652 1.00 0.00 H new ATOM 1304 N ASN A 89 99.490 -15.530 -4.248 1.00 0.00 N ATOM 1305 CA ASN A 89 100.831 -15.488 -4.902 1.00 0.00 C ATOM 1306 C ASN A 89 101.372 -14.057 -4.912 1.00 0.00 C ATOM 1307 O ASN A 89 100.808 -13.163 -4.313 1.00 0.00 O ATOM 1308 CB ASN A 89 100.596 -15.982 -6.329 1.00 0.00 C ATOM 1309 CG ASN A 89 99.592 -15.068 -7.033 1.00 0.00 C ATOM 1310 OD1 ASN A 89 99.115 -14.113 -6.456 1.00 0.00 O ATOM 1311 ND2 ASN A 89 99.250 -15.324 -8.267 1.00 0.00 N ATOM 0 H ASN A 89 98.694 -15.498 -4.885 1.00 0.00 H new ATOM 0 HA ASN A 89 101.563 -16.100 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 89 101.537 -15.996 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 89 100.221 -17.005 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 89 98.582 -14.721 -8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 89 99.651 -16.127 -8.751 1.00 0.00 H new ATOM 1318 N ALA A 90 102.468 -13.838 -5.586 1.00 0.00 N ATOM 1319 CA ALA A 90 103.059 -12.472 -5.636 1.00 0.00 C ATOM 1320 C ALA A 90 101.993 -11.433 -6.002 1.00 0.00 C ATOM 1321 O ALA A 90 102.056 -10.294 -5.583 1.00 0.00 O ATOM 1322 CB ALA A 90 104.133 -12.546 -6.722 1.00 0.00 C ATOM 0 H ALA A 90 102.981 -14.550 -6.106 1.00 0.00 H new ATOM 0 HA ALA A 90 103.469 -12.169 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 90 104.618 -11.575 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 90 104.875 -13.296 -6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 90 103.672 -12.820 -7.671 1.00 0.00 H new ATOM 1328 N CYS A 91 101.021 -11.809 -6.787 1.00 0.00 N ATOM 1329 CA CYS A 91 99.962 -10.832 -7.179 1.00 0.00 C ATOM 1330 C CYS A 91 98.836 -10.818 -6.141 1.00 0.00 C ATOM 1331 O CYS A 91 98.555 -9.804 -5.533 1.00 0.00 O ATOM 1332 CB CYS A 91 99.440 -11.328 -8.528 1.00 0.00 C ATOM 1333 SG CYS A 91 98.466 -10.020 -9.313 1.00 0.00 S ATOM 0 H CYS A 91 100.913 -12.747 -7.174 1.00 0.00 H new ATOM 0 HA CYS A 91 100.348 -9.814 -7.240 1.00 0.00 H new ATOM 0 HB2 CYS A 91 100.273 -11.612 -9.171 1.00 0.00 H new ATOM 0 HB3 CYS A 91 98.827 -12.219 -8.388 1.00 0.00 H new ATOM 1338 N GLU A 92 98.189 -11.932 -5.933 1.00 0.00 N ATOM 1339 CA GLU A 92 97.084 -11.972 -4.933 1.00 0.00 C ATOM 1340 C GLU A 92 97.602 -11.512 -3.570 1.00 0.00 C ATOM 1341 O GLU A 92 96.879 -10.939 -2.780 1.00 0.00 O ATOM 1342 CB GLU A 92 96.648 -13.436 -4.877 1.00 0.00 C ATOM 1343 CG GLU A 92 96.008 -13.829 -6.210 1.00 0.00 C ATOM 1344 CD GLU A 92 95.490 -15.265 -6.123 1.00 0.00 C ATOM 1345 OE1 GLU A 92 94.888 -15.597 -5.116 1.00 0.00 O ATOM 1346 OE2 GLU A 92 95.706 -16.009 -7.066 1.00 0.00 O ATOM 0 H GLU A 92 98.377 -12.814 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 92 96.256 -11.316 -5.201 1.00 0.00 H new ATOM 0 HB2 GLU A 92 97.507 -14.075 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 92 95.938 -13.584 -4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.189 -13.149 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 92 96.737 -13.742 -7.015 1.00 0.00 H new ATOM 1353 N ALA A 93 98.855 -11.750 -3.295 1.00 0.00 N ATOM 1354 CA ALA A 93 99.424 -11.317 -1.987 1.00 0.00 C ATOM 1355 C ALA A 93 99.629 -9.800 -1.990 1.00 0.00 C ATOM 1356 O ALA A 93 99.250 -9.111 -1.064 1.00 0.00 O ATOM 1357 CB ALA A 93 100.766 -12.042 -1.878 1.00 0.00 C ATOM 0 H ALA A 93 99.509 -12.225 -3.918 1.00 0.00 H new ATOM 0 HA ALA A 93 98.770 -11.552 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 93 101.249 -11.774 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 93 100.601 -13.119 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 93 101.406 -11.750 -2.711 1.00 0.00 H new ATOM 1363 N PHE A 94 100.219 -9.275 -3.029 1.00 0.00 N ATOM 1364 CA PHE A 94 100.441 -7.803 -3.096 1.00 0.00 C ATOM 1365 C PHE A 94 99.098 -7.070 -3.060 1.00 0.00 C ATOM 1366 O PHE A 94 98.980 -5.992 -2.512 1.00 0.00 O ATOM 1367 CB PHE A 94 101.146 -7.567 -4.433 1.00 0.00 C ATOM 1368 CG PHE A 94 101.651 -6.146 -4.491 1.00 0.00 C ATOM 1369 CD1 PHE A 94 102.574 -5.693 -3.543 1.00 0.00 C ATOM 1370 CD2 PHE A 94 101.194 -5.281 -5.493 1.00 0.00 C ATOM 1371 CE1 PHE A 94 103.041 -4.374 -3.594 1.00 0.00 C ATOM 1372 CE2 PHE A 94 101.661 -3.962 -5.544 1.00 0.00 C ATOM 1373 CZ PHE A 94 102.585 -3.509 -4.594 1.00 0.00 C ATOM 0 H PHE A 94 100.557 -9.802 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 94 101.030 -7.434 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 94 101.976 -8.264 -4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 94 100.458 -7.754 -5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 94 102.927 -6.361 -2.771 1.00 0.00 H new ATOM 0 HD2 PHE A 94 100.482 -5.631 -6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 94 103.753 -4.025 -2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 94 101.309 -3.294 -6.316 1.00 0.00 H new ATOM 0 HZ PHE A 94 102.945 -2.492 -4.634 1.00 0.00 H new ATOM 1383 N ILE A 95 98.082 -7.651 -3.638 1.00 0.00 N ATOM 1384 CA ILE A 95 96.747 -6.991 -3.632 1.00 0.00 C ATOM 1385 C ILE A 95 96.197 -6.943 -2.206 1.00 0.00 C ATOM 1386 O ILE A 95 95.779 -5.908 -1.724 1.00 0.00 O ATOM 1387 CB ILE A 95 95.866 -7.870 -4.518 1.00 0.00 C ATOM 1388 CG1 ILE A 95 96.362 -7.795 -5.963 1.00 0.00 C ATOM 1389 CG2 ILE A 95 94.419 -7.376 -4.450 1.00 0.00 C ATOM 1390 CD1 ILE A 95 96.190 -6.368 -6.488 1.00 0.00 C ATOM 0 H ILE A 95 98.119 -8.553 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 95 96.789 -5.964 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 95 95.914 -8.902 -4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 95 97.410 -8.089 -6.015 1.00 0.00 H new ATOM 0 HG13 ILE A 95 95.804 -8.493 -6.587 1.00 0.00 H new ATOM 0 HG21 ILE A 95 93.790 -8.003 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 95 94.065 -7.428 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 95 94.370 -6.345 -4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 95 96.543 -6.314 -7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 95 95.136 -6.091 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 95 96.768 -5.681 -5.870 1.00 0.00 H new ATOM 1402 N CYS A 96 96.203 -8.054 -1.523 1.00 0.00 N ATOM 1403 CA CYS A 96 95.690 -8.071 -0.124 1.00 0.00 C ATOM 1404 C CYS A 96 96.443 -7.036 0.713 1.00 0.00 C ATOM 1405 O CYS A 96 95.920 -6.491 1.665 1.00 0.00 O ATOM 1406 CB CYS A 96 95.973 -9.485 0.385 1.00 0.00 C ATOM 1407 SG CYS A 96 95.754 -9.537 2.181 1.00 0.00 S ATOM 0 H CYS A 96 96.541 -8.951 -1.873 1.00 0.00 H new ATOM 0 HA CYS A 96 94.630 -7.826 -0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 96 95.301 -10.197 -0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 96 96.989 -9.780 0.123 1.00 0.00 H new ATOM 1412 N ASN A 97 97.669 -6.759 0.361 1.00 0.00 N ATOM 1413 CA ASN A 97 98.459 -5.756 1.130 1.00 0.00 C ATOM 1414 C ASN A 97 97.888 -4.356 0.902 1.00 0.00 C ATOM 1415 O ASN A 97 97.886 -3.524 1.787 1.00 0.00 O ATOM 1416 CB ASN A 97 99.879 -5.857 0.572 1.00 0.00 C ATOM 1417 CG ASN A 97 100.635 -6.961 1.301 1.00 0.00 C ATOM 1418 OD1 ASN A 97 100.114 -7.576 2.210 1.00 0.00 O ATOM 1419 ND2 ASN A 97 101.854 -7.241 0.938 1.00 0.00 N ATOM 0 H ASN A 97 98.158 -7.184 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 97 98.433 -5.940 2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 97 99.847 -6.068 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 97 100.397 -4.906 0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 97 102.372 -7.977 1.417 1.00 0.00 H new ATOM 0 HD22 ASN A 97 102.290 -6.724 0.175 1.00 0.00 H new ATOM 1426 N CYS A 98 97.397 -4.089 -0.279 1.00 0.00 N ATOM 1427 CA CYS A 98 96.819 -2.743 -0.558 1.00 0.00 C ATOM 1428 C CYS A 98 95.552 -2.538 0.272 1.00 0.00 C ATOM 1429 O CYS A 98 95.379 -1.526 0.923 1.00 0.00 O ATOM 1430 CB CYS A 98 96.483 -2.754 -2.051 1.00 0.00 C ATOM 1431 SG CYS A 98 97.905 -3.362 -2.990 1.00 0.00 S ATOM 0 H CYS A 98 97.371 -4.744 -1.061 1.00 0.00 H new ATOM 0 HA CYS A 98 97.506 -1.936 -0.303 1.00 0.00 H new ATOM 0 HB2 CYS A 98 95.616 -3.388 -2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 98 96.219 -1.750 -2.382 1.00 0.00 H new ATOM 1436 N ASP A 99 94.664 -3.494 0.257 1.00 0.00 N ATOM 1437 CA ASP A 99 93.408 -3.360 1.048 1.00 0.00 C ATOM 1438 C ASP A 99 93.729 -3.403 2.543 1.00 0.00 C ATOM 1439 O ASP A 99 93.160 -2.677 3.335 1.00 0.00 O ATOM 1440 CB ASP A 99 92.555 -4.564 0.648 1.00 0.00 C ATOM 1441 CG ASP A 99 92.231 -4.489 -0.846 1.00 0.00 C ATOM 1442 OD1 ASP A 99 92.167 -3.387 -1.364 1.00 0.00 O ATOM 1443 OD2 ASP A 99 92.053 -5.536 -1.447 1.00 0.00 O ATOM 0 H ASP A 99 94.754 -4.363 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 99 92.894 -2.418 0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 99 93.087 -5.489 0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 99 91.634 -4.579 1.230 1.00 0.00 H new ATOM 1448 N ARG A 100 94.640 -4.251 2.933 1.00 0.00 N ATOM 1449 CA ARG A 100 95.008 -4.348 4.375 1.00 0.00 C ATOM 1450 C ARG A 100 95.774 -3.095 4.807 1.00 0.00 C ATOM 1451 O ARG A 100 95.534 -2.541 5.862 1.00 0.00 O ATOM 1452 CB ARG A 100 95.904 -5.583 4.465 1.00 0.00 C ATOM 1453 CG ARG A 100 95.970 -6.068 5.915 1.00 0.00 C ATOM 1454 CD ARG A 100 97.282 -6.823 6.141 1.00 0.00 C ATOM 1455 NE ARG A 100 96.877 -8.193 6.529 1.00 0.00 N ATOM 1456 CZ ARG A 100 97.779 -9.114 6.727 1.00 0.00 C ATOM 1457 NH1 ARG A 100 98.842 -9.162 5.970 1.00 0.00 N ATOM 1458 NH2 ARG A 100 97.621 -9.989 7.683 1.00 0.00 N ATOM 0 H ARG A 100 95.147 -4.883 2.314 1.00 0.00 H new ATOM 0 HA ARG A 100 94.136 -4.426 5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 100 95.515 -6.374 3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 100 96.905 -5.345 4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 100 95.904 -5.220 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 100 95.122 -6.718 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 100 97.892 -6.833 5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 100 97.878 -6.352 6.922 1.00 0.00 H new ATOM 0 HE ARG A 100 95.888 -8.418 6.642 1.00 0.00 H new ATOM 0 HH11 ARG A 100 98.967 -8.479 5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 100 99.547 -9.883 6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 100 96.792 -9.953 8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 100 98.327 -10.709 7.837 1.00 0.00 H new ATOM 1472 N ASN A 101 96.694 -2.643 4.000 1.00 0.00 N ATOM 1473 CA ASN A 101 97.474 -1.426 4.365 1.00 0.00 C ATOM 1474 C ASN A 101 96.548 -0.211 4.456 1.00 0.00 C ATOM 1475 O ASN A 101 96.751 0.676 5.263 1.00 0.00 O ATOM 1476 CB ASN A 101 98.486 -1.246 3.232 1.00 0.00 C ATOM 1477 CG ASN A 101 99.682 -2.165 3.462 1.00 0.00 C ATOM 1478 OD1 ASN A 101 99.700 -2.939 4.398 1.00 0.00 O ATOM 1479 ND2 ASN A 101 100.688 -2.110 2.639 1.00 0.00 N ATOM 0 H ASN A 101 96.940 -3.063 3.104 1.00 0.00 H new ATOM 0 HA ASN A 101 97.963 -1.526 5.334 1.00 0.00 H new ATOM 0 HB2 ASN A 101 98.019 -1.474 2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 101 98.816 -0.208 3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 101 101.495 -2.718 2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 101 100.670 -1.459 1.854 1.00 0.00 H new ATOM 1486 N ALA A 102 95.532 -0.162 3.639 1.00 0.00 N ATOM 1487 CA ALA A 102 94.596 0.997 3.687 1.00 0.00 C ATOM 1488 C ALA A 102 93.768 0.946 4.973 1.00 0.00 C ATOM 1489 O ALA A 102 93.693 1.907 5.713 1.00 0.00 O ATOM 1490 CB ALA A 102 93.695 0.833 2.462 1.00 0.00 C ATOM 0 H ALA A 102 95.310 -0.872 2.942 1.00 0.00 H new ATOM 0 HA ALA A 102 95.119 1.953 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 102 92.976 1.651 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 102 94.304 0.846 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 102 93.162 -0.116 2.527 1.00 0.00 H new ATOM 1496 N ALA A 103 93.151 -0.169 5.245 1.00 0.00 N ATOM 1497 CA ALA A 103 92.334 -0.282 6.487 1.00 0.00 C ATOM 1498 C ALA A 103 93.221 -0.080 7.716 1.00 0.00 C ATOM 1499 O ALA A 103 92.791 0.440 8.728 1.00 0.00 O ATOM 1500 CB ALA A 103 91.768 -1.702 6.462 1.00 0.00 C ATOM 0 H ALA A 103 93.176 -1.006 4.663 1.00 0.00 H new ATOM 0 HA ALA A 103 91.545 0.469 6.535 1.00 0.00 H new ATOM 0 HB1 ALA A 103 91.153 -1.864 7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 103 91.160 -1.835 5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 103 92.588 -2.420 6.454 1.00 0.00 H new ATOM 1506 N ILE A 104 94.458 -0.487 7.636 1.00 0.00 N ATOM 1507 CA ILE A 104 95.378 -0.318 8.798 1.00 0.00 C ATOM 1508 C ILE A 104 95.684 1.166 9.014 1.00 0.00 C ATOM 1509 O ILE A 104 95.829 1.624 10.129 1.00 0.00 O ATOM 1510 CB ILE A 104 96.647 -1.080 8.411 1.00 0.00 C ATOM 1511 CG1 ILE A 104 96.403 -2.584 8.554 1.00 0.00 C ATOM 1512 CG2 ILE A 104 97.796 -0.660 9.330 1.00 0.00 C ATOM 1513 CD1 ILE A 104 97.512 -3.355 7.835 1.00 0.00 C ATOM 0 H ILE A 104 94.872 -0.930 6.816 1.00 0.00 H new ATOM 0 HA ILE A 104 94.948 -0.692 9.727 1.00 0.00 H new ATOM 0 HB ILE A 104 96.907 -0.851 7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 104 96.379 -2.860 9.608 1.00 0.00 H new ATOM 0 HG13 ILE A 104 95.432 -2.847 8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 104 98.700 -1.203 9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 104 97.971 0.411 9.228 1.00 0.00 H new ATOM 0 HG23 ILE A 104 97.537 -0.888 10.364 1.00 0.00 H new ATOM 0 HD11 ILE A 104 97.336 -4.426 7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 104 97.515 -3.088 6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 104 98.476 -3.101 8.276 1.00 0.00 H new ATOM 1525 N CYS A 105 95.782 1.921 7.954 1.00 0.00 N ATOM 1526 CA CYS A 105 96.077 3.374 8.102 1.00 0.00 C ATOM 1527 C CYS A 105 94.880 4.076 8.751 1.00 0.00 C ATOM 1528 O CYS A 105 95.031 4.881 9.648 1.00 0.00 O ATOM 1529 CB CYS A 105 96.294 3.880 6.677 1.00 0.00 C ATOM 1530 SG CYS A 105 97.263 5.411 6.715 1.00 0.00 S ATOM 0 H CYS A 105 95.671 1.595 6.994 1.00 0.00 H new ATOM 0 HA CYS A 105 96.945 3.566 8.733 1.00 0.00 H new ATOM 0 HB2 CYS A 105 96.813 3.124 6.087 1.00 0.00 H new ATOM 0 HB3 CYS A 105 95.333 4.058 6.193 1.00 0.00 H new ATOM 1535 N PHE A 106 93.688 3.766 8.310 1.00 0.00 N ATOM 1536 CA PHE A 106 92.483 4.400 8.903 1.00 0.00 C ATOM 1537 C PHE A 106 92.494 4.205 10.419 1.00 0.00 C ATOM 1538 O PHE A 106 92.156 5.092 11.177 1.00 0.00 O ATOM 1539 CB PHE A 106 91.295 3.649 8.295 1.00 0.00 C ATOM 1540 CG PHE A 106 91.323 3.744 6.786 1.00 0.00 C ATOM 1541 CD1 PHE A 106 92.094 4.724 6.150 1.00 0.00 C ATOM 1542 CD2 PHE A 106 90.564 2.848 6.023 1.00 0.00 C ATOM 1543 CE1 PHE A 106 92.106 4.806 4.751 1.00 0.00 C ATOM 1544 CE2 PHE A 106 90.577 2.930 4.626 1.00 0.00 C ATOM 1545 CZ PHE A 106 91.348 3.909 3.990 1.00 0.00 C ATOM 0 H PHE A 106 93.501 3.098 7.562 1.00 0.00 H new ATOM 0 HA PHE A 106 92.439 5.471 8.703 1.00 0.00 H new ATOM 0 HB2 PHE A 106 91.324 2.603 8.600 1.00 0.00 H new ATOM 0 HB3 PHE A 106 90.362 4.065 8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 106 92.679 5.416 6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 106 89.968 2.093 6.513 1.00 0.00 H new ATOM 0 HE1 PHE A 106 92.701 5.562 4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 106 89.992 2.238 4.039 1.00 0.00 H new ATOM 0 HZ PHE A 106 91.358 3.972 2.912 1.00 0.00 H new ATOM 1555 N SER A 107 92.874 3.037 10.858 1.00 0.00 N ATOM 1556 CA SER A 107 92.902 2.756 12.323 1.00 0.00 C ATOM 1557 C SER A 107 94.143 3.377 12.968 1.00 0.00 C ATOM 1558 O SER A 107 94.217 3.529 14.172 1.00 0.00 O ATOM 1559 CB SER A 107 92.951 1.234 12.430 1.00 0.00 C ATOM 1560 OG SER A 107 94.280 0.788 12.193 1.00 0.00 O ATOM 0 H SER A 107 93.168 2.262 10.264 1.00 0.00 H new ATOM 0 HA SER A 107 92.038 3.178 12.837 1.00 0.00 H new ATOM 0 HB2 SER A 107 92.620 0.917 13.419 1.00 0.00 H new ATOM 0 HB3 SER A 107 92.270 0.785 11.707 1.00 0.00 H new ATOM 0 HG SER A 107 94.668 1.296 11.450 1.00 0.00 H new ATOM 1566 N LYS A 108 95.120 3.736 12.183 1.00 0.00 N ATOM 1567 CA LYS A 108 96.350 4.345 12.764 1.00 0.00 C ATOM 1568 C LYS A 108 96.283 5.870 12.653 1.00 0.00 C ATOM 1569 O LYS A 108 97.086 6.580 13.224 1.00 0.00 O ATOM 1570 CB LYS A 108 97.503 3.791 11.925 1.00 0.00 C ATOM 1571 CG LYS A 108 97.939 2.436 12.490 1.00 0.00 C ATOM 1572 CD LYS A 108 99.403 2.178 12.130 1.00 0.00 C ATOM 1573 CE LYS A 108 99.475 1.370 10.832 1.00 0.00 C ATOM 1574 NZ LYS A 108 100.694 1.868 10.135 1.00 0.00 N ATOM 0 H LYS A 108 95.121 3.635 11.168 1.00 0.00 H new ATOM 0 HA LYS A 108 96.471 4.109 13.821 1.00 0.00 H new ATOM 0 HB2 LYS A 108 97.191 3.681 10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 108 98.341 4.488 11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 108 97.813 2.424 13.573 1.00 0.00 H new ATOM 0 HG3 LYS A 108 97.309 1.643 12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 108 99.932 3.124 12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 108 99.897 1.636 12.936 1.00 0.00 H new ATOM 0 HE2 LYS A 108 99.546 0.302 11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 108 98.583 1.520 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 100.811 1.360 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 100.595 2.886 9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 101.528 1.705 10.735 1.00 0.00 H new ATOM 1588 N VAL A 109 95.326 6.377 11.924 1.00 0.00 N ATOM 1589 CA VAL A 109 95.203 7.854 11.779 1.00 0.00 C ATOM 1590 C VAL A 109 93.831 8.320 12.277 1.00 0.00 C ATOM 1591 O VAL A 109 92.920 7.529 12.411 1.00 0.00 O ATOM 1592 CB VAL A 109 95.352 8.117 10.281 1.00 0.00 C ATOM 1593 CG1 VAL A 109 96.684 7.544 9.793 1.00 0.00 C ATOM 1594 CG2 VAL A 109 94.202 7.444 9.528 1.00 0.00 C ATOM 0 H VAL A 109 94.625 5.832 11.423 1.00 0.00 H new ATOM 0 HA VAL A 109 95.950 8.393 12.362 1.00 0.00 H new ATOM 0 HB VAL A 109 95.328 9.191 10.097 1.00 0.00 H new ATOM 0 HG11 VAL A 109 96.791 7.731 8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 109 97.504 8.022 10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 109 96.707 6.470 9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 109 94.308 7.631 8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 109 94.226 6.370 9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 109 93.252 7.851 9.875 1.00 0.00 H new ATOM 1604 N PRO A 110 93.736 9.594 12.542 1.00 0.00 N ATOM 1605 CA PRO A 110 92.467 10.176 13.041 1.00 0.00 C ATOM 1606 C PRO A 110 91.436 10.278 11.911 1.00 0.00 C ATOM 1607 O PRO A 110 91.740 10.056 10.756 1.00 0.00 O ATOM 1608 CB PRO A 110 92.877 11.564 13.526 1.00 0.00 C ATOM 1609 CG PRO A 110 94.110 11.901 12.749 1.00 0.00 C ATOM 1610 CD PRO A 110 94.793 10.602 12.404 1.00 0.00 C ATOM 0 HA PRO A 110 92.001 9.574 13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 110 92.087 12.293 13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 110 93.074 11.564 14.598 1.00 0.00 H new ATOM 0 HG2 PRO A 110 93.855 12.453 11.844 1.00 0.00 H new ATOM 0 HG3 PRO A 110 94.771 12.539 13.336 1.00 0.00 H new ATOM 0 HD2 PRO A 110 95.196 10.620 11.392 1.00 0.00 H new ATOM 0 HD3 PRO A 110 95.627 10.399 13.076 1.00 0.00 H new ATOM 1618 N TYR A 111 90.218 10.616 12.240 1.00 0.00 N ATOM 1619 CA TYR A 111 89.165 10.739 11.191 1.00 0.00 C ATOM 1620 C TYR A 111 88.588 12.157 11.198 1.00 0.00 C ATOM 1621 O TYR A 111 88.405 12.756 12.239 1.00 0.00 O ATOM 1622 CB TYR A 111 88.093 9.722 11.586 1.00 0.00 C ATOM 1623 CG TYR A 111 86.873 9.914 10.715 1.00 0.00 C ATOM 1624 CD1 TYR A 111 86.961 9.715 9.331 1.00 0.00 C ATOM 1625 CD2 TYR A 111 85.652 10.291 11.291 1.00 0.00 C ATOM 1626 CE1 TYR A 111 85.832 9.893 8.524 1.00 0.00 C ATOM 1627 CE2 TYR A 111 84.523 10.469 10.482 1.00 0.00 C ATOM 1628 CZ TYR A 111 84.612 10.271 9.100 1.00 0.00 C ATOM 1629 OH TYR A 111 83.499 10.447 8.303 1.00 0.00 O ATOM 0 H TYR A 111 89.907 10.812 13.191 1.00 0.00 H new ATOM 0 HA TYR A 111 89.551 10.553 10.189 1.00 0.00 H new ATOM 0 HB2 TYR A 111 88.478 8.709 11.473 1.00 0.00 H new ATOM 0 HB3 TYR A 111 87.827 9.847 12.636 1.00 0.00 H new ATOM 0 HD1 TYR A 111 87.901 9.424 8.887 1.00 0.00 H new ATOM 0 HD2 TYR A 111 85.582 10.444 12.358 1.00 0.00 H new ATOM 0 HE1 TYR A 111 85.901 9.739 7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 111 83.582 10.760 10.926 1.00 0.00 H new ATOM 0 HH TYR A 111 83.689 10.119 7.399 1.00 0.00 H new ATOM 1639 N ASN A 112 88.306 12.704 10.048 1.00 0.00 N ATOM 1640 CA ASN A 112 87.750 14.084 10.002 1.00 0.00 C ATOM 1641 C ASN A 112 86.372 14.086 9.334 1.00 0.00 C ATOM 1642 O ASN A 112 86.214 13.644 8.213 1.00 0.00 O ATOM 1643 CB ASN A 112 88.750 14.880 9.166 1.00 0.00 C ATOM 1644 CG ASN A 112 90.024 15.119 9.981 1.00 0.00 C ATOM 1645 OD1 ASN A 112 90.903 14.161 10.091 1.00 0.00 O flip ATOM 1646 ND2 ASN A 112 90.219 16.189 10.523 1.00 0.00 N flip ATOM 0 H ASN A 112 88.436 12.256 9.141 1.00 0.00 H new ATOM 0 HA ASN A 112 87.616 14.507 10.998 1.00 0.00 H new ATOM 0 HB2 ASN A 112 88.988 14.338 8.251 1.00 0.00 H new ATOM 0 HB3 ASN A 112 88.313 15.833 8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 112 89.531 16.937 10.436 1.00 0.00 H new ATOM 0 HD22 ASN A 112 91.070 16.339 11.064 1.00 0.00 H new ATOM 1653 N LYS A 113 85.375 14.587 10.012 1.00 0.00 N ATOM 1654 CA LYS A 113 84.011 14.625 9.414 1.00 0.00 C ATOM 1655 C LYS A 113 83.824 15.919 8.620 1.00 0.00 C ATOM 1656 O LYS A 113 82.946 16.030 7.788 1.00 0.00 O ATOM 1657 CB LYS A 113 83.051 14.581 10.605 1.00 0.00 C ATOM 1658 CG LYS A 113 83.241 15.835 11.461 1.00 0.00 C ATOM 1659 CD LYS A 113 83.388 15.432 12.930 1.00 0.00 C ATOM 1660 CE LYS A 113 82.715 16.481 13.820 1.00 0.00 C ATOM 1661 NZ LYS A 113 83.780 16.929 14.758 1.00 0.00 N ATOM 0 H LYS A 113 85.447 14.971 10.954 1.00 0.00 H new ATOM 0 HA LYS A 113 83.838 13.799 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 113 82.021 14.521 10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 113 83.237 13.688 11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 113 84.125 16.382 11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 113 82.389 16.504 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 113 82.935 14.455 13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 113 84.443 15.343 13.189 1.00 0.00 H new ATOM 0 HE2 LYS A 113 82.333 17.314 13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 113 81.867 16.057 14.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 83.395 17.650 15.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 84.119 16.117 15.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 84.571 17.334 14.217 1.00 0.00 H new ATOM 1675 N GLU A 114 84.643 16.903 8.876 1.00 0.00 N ATOM 1676 CA GLU A 114 84.515 18.188 8.146 1.00 0.00 C ATOM 1677 C GLU A 114 85.094 18.058 6.737 1.00 0.00 C ATOM 1678 O GLU A 114 84.524 18.531 5.773 1.00 0.00 O ATOM 1679 CB GLU A 114 85.324 19.194 8.967 1.00 0.00 C ATOM 1680 CG GLU A 114 84.369 20.125 9.715 1.00 0.00 C ATOM 1681 CD GLU A 114 83.633 19.337 10.800 1.00 0.00 C ATOM 1682 OE1 GLU A 114 84.275 18.954 11.765 1.00 0.00 O ATOM 1683 OE2 GLU A 114 82.441 19.129 10.649 1.00 0.00 O ATOM 0 H GLU A 114 85.397 16.868 9.563 1.00 0.00 H new ATOM 0 HA GLU A 114 83.475 18.495 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 114 85.966 18.670 9.674 1.00 0.00 H new ATOM 0 HB3 GLU A 114 85.976 19.773 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 114 84.924 20.949 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 114 83.653 20.563 9.020 1.00 0.00 H new ATOM 1690 N HIS A 115 86.222 17.418 6.608 1.00 0.00 N ATOM 1691 CA HIS A 115 86.839 17.255 5.263 1.00 0.00 C ATOM 1692 C HIS A 115 86.029 16.262 4.425 1.00 0.00 C ATOM 1693 O HIS A 115 86.332 16.015 3.274 1.00 0.00 O ATOM 1694 CB HIS A 115 88.241 16.710 5.536 1.00 0.00 C ATOM 1695 CG HIS A 115 89.019 17.709 6.348 1.00 0.00 C ATOM 1696 ND1 HIS A 115 89.777 17.576 7.486 1.00 0.00 N flip ATOM 1697 CD2 HIS A 115 89.076 19.052 6.011 1.00 0.00 C flip ATOM 1698 CE1 HIS A 115 90.297 18.815 7.849 1.00 0.00 C flip ATOM 1699 NE2 HIS A 115 89.844 19.669 6.928 1.00 0.00 N flip ATOM 0 H HIS A 115 86.744 17.000 7.378 1.00 0.00 H new ATOM 0 HA HIS A 115 86.867 18.191 4.704 1.00 0.00 H new ATOM 0 HB2 HIS A 115 88.176 15.762 6.071 1.00 0.00 H new ATOM 0 HB3 HIS A 115 88.755 16.511 4.595 1.00 0.00 H new ATOM 0 HD2 HIS A 115 88.592 19.519 5.166 1.00 0.00 H new ATOM 0 HE1 HIS A 115 90.931 19.038 8.694 1.00 0.00 H new ATOM 0 HE2 HIS A 115 90.054 20.667 6.920 1.00 0.00 H new ATOM 1707 N LYS A 116 85.000 15.692 4.990 1.00 0.00 N ATOM 1708 CA LYS A 116 84.175 14.723 4.230 1.00 0.00 C ATOM 1709 C LYS A 116 83.419 15.443 3.108 1.00 0.00 C ATOM 1710 O LYS A 116 83.103 16.612 3.211 1.00 0.00 O ATOM 1711 CB LYS A 116 83.210 14.164 5.275 1.00 0.00 C ATOM 1712 CG LYS A 116 81.988 13.571 4.582 1.00 0.00 C ATOM 1713 CD LYS A 116 81.122 12.837 5.608 1.00 0.00 C ATOM 1714 CE LYS A 116 81.149 11.334 5.320 1.00 0.00 C ATOM 1715 NZ LYS A 116 80.881 10.687 6.634 1.00 0.00 N ATOM 0 H LYS A 116 84.697 15.859 5.950 1.00 0.00 H new ATOM 0 HA LYS A 116 84.762 13.940 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 116 83.708 13.400 5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 116 82.903 14.954 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 116 81.410 14.361 4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 116 82.301 12.883 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 116 81.490 13.031 6.615 1.00 0.00 H new ATOM 0 HD3 LYS A 116 80.098 13.207 5.566 1.00 0.00 H new ATOM 0 HE2 LYS A 116 80.394 11.059 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 116 82.114 11.026 4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 80.550 9.713 6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 81.755 10.671 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 80.150 11.224 7.143 1.00 0.00 H new ATOM 1729 N ASN A 117 83.130 14.755 2.038 1.00 0.00 N ATOM 1730 CA ASN A 117 82.397 15.400 0.912 1.00 0.00 C ATOM 1731 C ASN A 117 82.963 16.795 0.650 1.00 0.00 C ATOM 1732 O ASN A 117 82.244 17.775 0.628 1.00 0.00 O ATOM 1733 CB ASN A 117 80.944 15.490 1.384 1.00 0.00 C ATOM 1734 CG ASN A 117 80.245 14.152 1.143 1.00 0.00 C ATOM 1735 OD1 ASN A 117 80.576 13.437 0.218 1.00 0.00 O ATOM 1736 ND2 ASN A 117 79.283 13.779 1.943 1.00 0.00 N ATOM 0 H ASN A 117 83.370 13.774 1.895 1.00 0.00 H new ATOM 0 HA ASN A 117 82.488 14.839 -0.018 1.00 0.00 H new ATOM 0 HB2 ASN A 117 80.910 15.744 2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 117 80.425 16.285 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 117 78.810 12.888 1.791 1.00 0.00 H new ATOM 0 HD22 ASN A 117 79.004 14.378 2.720 1.00 0.00 H new ATOM 1743 N LEU A 118 84.248 16.896 0.452 1.00 0.00 N ATOM 1744 CA LEU A 118 84.866 18.199 0.196 1.00 0.00 C ATOM 1745 C LEU A 118 84.609 18.606 -1.257 1.00 0.00 C ATOM 1746 O LEU A 118 84.103 17.838 -2.050 1.00 0.00 O ATOM 1747 CB LEU A 118 86.344 17.929 0.480 1.00 0.00 C ATOM 1748 CG LEU A 118 87.235 18.880 -0.299 1.00 0.00 C ATOM 1749 CD1 LEU A 118 87.215 20.265 0.352 1.00 0.00 C ATOM 1750 CD2 LEU A 118 88.668 18.342 -0.298 1.00 0.00 C ATOM 0 H LEU A 118 84.896 16.108 0.460 1.00 0.00 H new ATOM 0 HA LEU A 118 84.480 19.020 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 118 86.538 18.037 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 118 86.586 16.900 0.215 1.00 0.00 H new ATOM 0 HG LEU A 118 86.869 18.959 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 118 87.857 20.942 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 118 86.195 20.650 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 118 87.579 20.191 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 118 89.312 19.021 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 118 89.026 18.263 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 118 88.687 17.358 -0.765 1.00 0.00 H new ATOM 1762 N ASP A 119 84.953 19.806 -1.605 1.00 0.00 N ATOM 1763 CA ASP A 119 84.732 20.280 -3.002 1.00 0.00 C ATOM 1764 C ASP A 119 85.925 19.909 -3.884 1.00 0.00 C ATOM 1765 O ASP A 119 87.050 20.276 -3.608 1.00 0.00 O ATOM 1766 CB ASP A 119 84.604 21.800 -2.888 1.00 0.00 C ATOM 1767 CG ASP A 119 84.194 22.382 -4.242 1.00 0.00 C ATOM 1768 OD1 ASP A 119 84.441 21.731 -5.244 1.00 0.00 O ATOM 1769 OD2 ASP A 119 83.641 23.469 -4.254 1.00 0.00 O ATOM 0 H ASP A 119 85.382 20.489 -0.981 1.00 0.00 H new ATOM 0 HA ASP A 119 83.850 19.828 -3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 119 83.863 22.057 -2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 119 85.552 22.232 -2.567 1.00 0.00 H new ATOM 1774 N LYS A 120 85.688 19.189 -4.947 1.00 0.00 N ATOM 1775 CA LYS A 120 86.807 18.804 -5.848 1.00 0.00 C ATOM 1776 C LYS A 120 87.732 20.002 -6.070 1.00 0.00 C ATOM 1777 O LYS A 120 88.904 19.853 -6.349 1.00 0.00 O ATOM 1778 CB LYS A 120 86.136 18.394 -7.161 1.00 0.00 C ATOM 1779 CG LYS A 120 85.497 17.013 -6.999 1.00 0.00 C ATOM 1780 CD LYS A 120 86.491 15.935 -7.437 1.00 0.00 C ATOM 1781 CE LYS A 120 85.745 14.623 -7.684 1.00 0.00 C ATOM 1782 NZ LYS A 120 86.111 14.230 -9.074 1.00 0.00 N ATOM 0 H LYS A 120 84.768 18.852 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 120 87.416 18.000 -5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 120 85.378 19.127 -7.439 1.00 0.00 H new ATOM 0 HB3 LYS A 120 86.870 18.374 -7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 120 85.207 16.855 -5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 120 84.588 16.949 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 120 87.007 16.248 -8.344 1.00 0.00 H new ATOM 0 HD3 LYS A 120 87.252 15.794 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 120 86.042 13.858 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 120 84.668 14.755 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 85.637 13.337 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 85.810 14.974 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 87.141 14.105 -9.139 1.00 0.00 H new ATOM 1796 N LYS A 121 87.207 21.190 -5.946 1.00 0.00 N ATOM 1797 CA LYS A 121 88.050 22.404 -6.148 1.00 0.00 C ATOM 1798 C LYS A 121 89.152 22.465 -5.100 1.00 0.00 C ATOM 1799 O LYS A 121 90.121 23.187 -5.233 1.00 0.00 O ATOM 1800 CB LYS A 121 87.092 23.573 -5.973 1.00 0.00 C ATOM 1801 CG LYS A 121 86.651 24.073 -7.344 1.00 0.00 C ATOM 1802 CD LYS A 121 85.681 25.244 -7.173 1.00 0.00 C ATOM 1803 CE LYS A 121 84.253 24.769 -7.453 1.00 0.00 C ATOM 1804 NZ LYS A 121 83.450 26.018 -7.563 1.00 0.00 N ATOM 0 H LYS A 121 86.231 21.373 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 121 88.538 22.410 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 121 86.225 23.263 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 121 87.578 24.376 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 121 87.518 24.387 -7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 121 86.171 23.267 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 121 85.751 25.643 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 121 85.947 26.053 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 121 84.204 24.185 -8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 121 83.884 24.131 -6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 82.457 25.776 -7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 83.511 26.550 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 83.821 26.602 -8.340 1.00 0.00 H new ATOM 1818 N ASN A 122 89.021 21.686 -4.078 1.00 0.00 N ATOM 1819 CA ASN A 122 90.062 21.647 -3.021 1.00 0.00 C ATOM 1820 C ASN A 122 90.990 20.481 -3.317 1.00 0.00 C ATOM 1821 O ASN A 122 92.029 20.309 -2.711 1.00 0.00 O ATOM 1822 CB ASN A 122 89.300 21.399 -1.726 1.00 0.00 C ATOM 1823 CG ASN A 122 88.939 22.735 -1.074 1.00 0.00 C ATOM 1824 OD1 ASN A 122 87.813 23.317 -1.388 1.00 0.00 O flip ATOM 1825 ND2 ASN A 122 89.688 23.256 -0.271 1.00 0.00 N flip ATOM 0 H ASN A 122 88.228 21.064 -3.923 1.00 0.00 H new ATOM 0 HA ASN A 122 90.658 22.558 -2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 122 88.395 20.827 -1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 122 89.907 20.803 -1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 122 90.568 22.802 -0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 122 89.437 24.147 0.157 1.00 0.00 H new ATOM 1832 N CYS A 123 90.593 19.679 -4.253 1.00 0.00 N ATOM 1833 CA CYS A 123 91.394 18.494 -4.639 1.00 0.00 C ATOM 1834 C CYS A 123 92.281 18.822 -5.845 1.00 0.00 C ATOM 1835 O CYS A 123 92.510 19.995 -6.086 1.00 0.00 O ATOM 1836 CB CYS A 123 90.338 17.458 -5.005 1.00 0.00 C ATOM 1837 SG CYS A 123 89.921 16.473 -3.545 1.00 0.00 S ATOM 1838 OXT CYS A 123 92.713 17.893 -6.507 1.00 0.00 O ATOM 0 H CYS A 123 89.727 19.797 -4.779 1.00 0.00 H new ATOM 0 HA CYS A 123 92.066 18.151 -3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 123 89.446 17.953 -5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 123 90.710 16.810 -5.799 1.00 0.00 H new