USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 782 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 71 SER OG : rot 65:sc= 2.35 USER MOD Set 1.2: A 86 THR OG1 : rot -53:sc= 0.251 USER MOD Set 2.1: A 74 ASN : amide:sc= 0.719 X(o=1.4,f=1) USER MOD Set 2.2: A 89 SER OG : rot 178:sc= 0.64 USER MOD Set 3.1: A 73 TYR OH : rot 2:sc= 1.28 USER MOD Set 3.2: A 83 THR OG1 : rot 130:sc= 1.1 USER MOD Set 4.1: A 62 GLN : amide:sc= 0.684 K(o=1.3,f=0.36) USER MOD Set 4.2: A 64 TYR OH : rot 180:sc= 0.608 USER MOD Set 5.1: A 57 ASN : amide:sc= 0.753 K(o=2.9,f=0.97) USER MOD Set 5.2: A 72 GLN : amide:sc= 1.37 K(o=2.9,f=0.64) USER MOD Set 5.3: A 87 SER OG : rot 8:sc= 0.806 USER MOD Set 6.1: A 42 GLN : amide:sc= 0.33 K(o=0.64,f=0.062) USER MOD Set 6.2: A 44 SER OG : rot -92:sc= 0.311 USER MOD Set 7.1: A 31 GLN : amide:sc= 0.763 K(o=1.5,f=-0.39) USER MOD Set 7.2: A 47 ASN : amide:sc= 0.773 K(o=1.5,f=-0.39) USER MOD Set 8.1: A 14 ASN : amide:sc= 1.12 K(o=3,f=0.7) USER MOD Set 8.2: A 29 ASN : amide:sc= 1.88 K(o=3,f=-0.27) USER MOD Set 9.1: A 12 THR OG1 : rot 130:sc= 1.11 USER MOD Set 9.2: A 15 SER OG : rot 112:sc= 1.77 USER MOD Set10.1: A 7 THR OG1 : rot -76:sc= 0.238 USER MOD Set10.2: A 8 ASN : amide:sc= 0.993 K(o=1.9,f=-0.76) USER MOD Set10.3: A 24 ASN : amide:sc= 0.646 K(o=1.9,f=0.16) USER MOD Set10.4: A 26 TYR OH : rot 140:sc= 0.00462 USER MOD Set11.1: A 6 ASN : amide:sc= 1.19 K(o=1.6,f=-11!) USER MOD Set11.2: A 9 SER OG : rot 84:sc= 0.407 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.489 K(o=-0.49,f=-4.7!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= 1.25 (180deg=0.905) USER MOD Single : A 20 SER OG : rot 79:sc= 1.32 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 83:sc= 1.9 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 88:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 62:sc= 1.61 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 49 LYS NZ :NH3+ -140:sc= 1.26 (180deg=0.644) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 64:sc= 1.74 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 1.16 (180deg=1.16) USER MOD Single : A 61 SER OG : rot 62:sc= 1.69 USER MOD Single : A 66 THR OG1 : rot 78:sc= 1.37 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 66:sc= 1.72 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 120:sc= 0.924 USER MOD Single : A 97 THR OG1 : rot 104:sc= 1.14 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 1:sc= 0.629 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 10.909 -3.315 -1.366 1.00 0.00 N ATOM 47 CA VAL A 5 11.242 -2.065 -2.039 1.00 0.00 C ATOM 48 C VAL A 5 12.774 -2.072 -2.126 1.00 0.00 C ATOM 49 O VAL A 5 13.478 -1.283 -1.492 1.00 0.00 O ATOM 50 CB VAL A 5 10.603 -0.856 -1.310 1.00 0.00 C ATOM 51 CG1 VAL A 5 10.760 0.433 -2.131 1.00 0.00 C ATOM 52 CG2 VAL A 5 9.101 -1.065 -1.039 1.00 0.00 C ATOM 0 HA VAL A 5 10.831 -1.971 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 5 11.131 -0.768 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.302 1.264 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.819 0.640 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 5 10.270 0.311 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.699 -0.191 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.577 -1.205 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.963 -1.947 -0.414 1.00 0.00 H new ATOM 62 N ASN A 6 13.300 -3.082 -2.826 1.00 0.00 N ATOM 63 CA ASN A 6 14.733 -3.286 -2.964 1.00 0.00 C ATOM 64 C ASN A 6 15.261 -2.410 -4.097 1.00 0.00 C ATOM 65 O ASN A 6 14.738 -2.461 -5.213 1.00 0.00 O ATOM 66 CB ASN A 6 15.045 -4.761 -3.255 1.00 0.00 C ATOM 67 CG ASN A 6 16.548 -4.971 -3.379 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.328 -4.185 -2.852 1.00 0.00 O ATOM 69 ND2 ASN A 6 16.989 -6.009 -4.066 1.00 0.00 N ATOM 0 H ASN A 6 12.736 -3.780 -3.312 1.00 0.00 H new ATOM 0 HA ASN A 6 15.221 -3.011 -2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.648 -5.388 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.551 -5.069 -4.177 1.00 0.00 H new ATOM 0 HD21 ASN A 6 17.992 -6.167 -4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 6 16.327 -6.653 -4.498 1.00 0.00 H new ATOM 76 N THR A 7 16.300 -1.629 -3.818 1.00 0.00 N ATOM 77 CA THR A 7 16.991 -0.820 -4.816 1.00 0.00 C ATOM 78 C THR A 7 17.975 -1.703 -5.600 1.00 0.00 C ATOM 79 O THR A 7 17.854 -1.866 -6.817 1.00 0.00 O ATOM 80 CB THR A 7 17.714 0.339 -4.102 1.00 0.00 C ATOM 81 OG1 THR A 7 18.598 -0.153 -3.119 1.00 0.00 O ATOM 82 CG2 THR A 7 16.753 1.279 -3.388 1.00 0.00 C ATOM 0 H THR A 7 16.691 -1.539 -2.880 1.00 0.00 H new ATOM 0 HA THR A 7 16.281 -0.399 -5.528 1.00 0.00 H new ATOM 0 HB THR A 7 18.243 0.879 -4.887 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.087 -0.437 -2.332 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.317 2.076 -2.903 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.062 1.712 -4.112 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.191 0.723 -2.637 1.00 0.00 H new ATOM 90 N ASN A 8 18.945 -2.274 -4.876 1.00 0.00 N ATOM 91 CA ASN A 8 20.119 -2.978 -5.408 1.00 0.00 C ATOM 92 C ASN A 8 20.730 -3.986 -4.418 1.00 0.00 C ATOM 93 O ASN A 8 21.822 -4.506 -4.653 1.00 0.00 O ATOM 94 CB ASN A 8 21.189 -1.955 -5.845 1.00 0.00 C ATOM 95 CG ASN A 8 21.997 -1.377 -4.685 1.00 0.00 C ATOM 96 OD1 ASN A 8 23.159 -1.720 -4.491 1.00 0.00 O ATOM 97 ND2 ASN A 8 21.423 -0.496 -3.879 1.00 0.00 N ATOM 0 H ASN A 8 18.933 -2.257 -3.856 1.00 0.00 H new ATOM 0 HA ASN A 8 19.774 -3.556 -6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 8 21.871 -2.434 -6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 8 20.702 -1.139 -6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 8 21.947 -0.103 -3.097 1.00 0.00 H new ATOM 0 HD22 ASN A 8 20.457 -0.211 -4.040 1.00 0.00 H new ATOM 104 N SER A 9 20.061 -4.241 -3.296 1.00 0.00 N ATOM 105 CA SER A 9 20.487 -5.180 -2.266 1.00 0.00 C ATOM 106 C SER A 9 20.402 -6.623 -2.755 1.00 0.00 C ATOM 107 O SER A 9 19.736 -6.923 -3.752 1.00 0.00 O ATOM 108 CB SER A 9 19.590 -5.024 -1.036 1.00 0.00 C ATOM 109 OG SER A 9 19.442 -3.650 -0.736 1.00 0.00 O ATOM 0 H SER A 9 19.177 -3.783 -3.073 1.00 0.00 H new ATOM 0 HA SER A 9 21.525 -4.958 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.615 -5.474 -1.223 1.00 0.00 H new ATOM 0 HB3 SER A 9 20.025 -5.549 -0.186 1.00 0.00 H new ATOM 0 HG SER A 9 18.721 -3.272 -1.282 1.00 0.00 H new ATOM 115 N GLN A 10 21.010 -7.521 -1.983 1.00 0.00 N ATOM 116 CA GLN A 10 20.885 -8.958 -2.130 1.00 0.00 C ATOM 117 C GLN A 10 19.930 -9.435 -1.040 1.00 0.00 C ATOM 118 O GLN A 10 20.073 -9.058 0.124 1.00 0.00 O ATOM 119 CB GLN A 10 22.285 -9.594 -2.036 1.00 0.00 C ATOM 120 CG GLN A 10 22.316 -10.992 -1.404 1.00 0.00 C ATOM 121 CD GLN A 10 23.716 -11.605 -1.437 1.00 0.00 C ATOM 122 OE1 GLN A 10 24.471 -11.516 -0.473 1.00 0.00 O ATOM 123 NE2 GLN A 10 24.100 -12.234 -2.537 1.00 0.00 N ATOM 0 H GLN A 10 21.623 -7.253 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 10 20.478 -9.251 -3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 10 22.709 -9.654 -3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.930 -8.934 -1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 10 21.971 -10.931 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 10 21.622 -11.645 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.466 -12.303 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 10 25.030 -12.650 -2.588 1.00 0.00 H new ATOM 132 N ILE A 11 19.010 -10.312 -1.430 1.00 0.00 N ATOM 133 CA ILE A 11 18.093 -11.054 -0.576 1.00 0.00 C ATOM 134 C ILE A 11 18.142 -12.479 -1.124 1.00 0.00 C ATOM 135 O ILE A 11 17.868 -12.677 -2.312 1.00 0.00 O ATOM 136 CB ILE A 11 16.669 -10.427 -0.594 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.667 -8.940 -0.161 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.715 -11.198 0.337 1.00 0.00 C ATOM 139 CD1 ILE A 11 16.669 -7.956 -1.336 1.00 0.00 C ATOM 0 H ILE A 11 18.878 -10.537 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 11 18.372 -11.032 0.477 1.00 0.00 H new ATOM 0 HB ILE A 11 16.329 -10.492 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.789 -8.752 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.542 -8.751 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.727 -10.739 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.644 -12.235 0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.098 -11.166 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.667 -6.935 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.560 -8.116 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.781 -8.117 -1.947 1.00 0.00 H new ATOM 151 N THR A 12 18.581 -13.446 -0.313 1.00 0.00 N ATOM 152 CA THR A 12 18.771 -14.812 -0.810 1.00 0.00 C ATOM 153 C THR A 12 17.424 -15.486 -1.111 1.00 0.00 C ATOM 154 O THR A 12 16.363 -15.007 -0.698 1.00 0.00 O ATOM 155 CB THR A 12 19.638 -15.652 0.145 1.00 0.00 C ATOM 156 OG1 THR A 12 19.068 -15.723 1.439 1.00 0.00 O ATOM 157 CG2 THR A 12 21.066 -15.113 0.245 1.00 0.00 C ATOM 0 H THR A 12 18.808 -13.313 0.673 1.00 0.00 H new ATOM 0 HA THR A 12 19.317 -14.747 -1.751 1.00 0.00 H new ATOM 0 HB THR A 12 19.676 -16.655 -0.280 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.033 -16.658 1.730 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.643 -15.735 0.929 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.531 -15.130 -0.741 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.043 -14.089 0.618 1.00 0.00 H new ATOM 165 N ALA A 13 17.470 -16.640 -1.788 1.00 0.00 N ATOM 166 CA ALA A 13 16.300 -17.417 -2.188 1.00 0.00 C ATOM 167 C ALA A 13 15.379 -17.794 -1.019 1.00 0.00 C ATOM 168 O ALA A 13 14.184 -17.999 -1.242 1.00 0.00 O ATOM 169 CB ALA A 13 16.779 -18.696 -2.880 1.00 0.00 C ATOM 0 H ALA A 13 18.349 -17.067 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 13 15.711 -16.788 -2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.917 -19.289 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.370 -18.435 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 13 17.392 -19.276 -2.190 1.00 0.00 H new ATOM 175 N ASN A 14 15.915 -17.896 0.206 1.00 0.00 N ATOM 176 CA ASN A 14 15.142 -18.273 1.397 1.00 0.00 C ATOM 177 C ASN A 14 14.989 -17.112 2.387 1.00 0.00 C ATOM 178 O ASN A 14 14.307 -17.252 3.403 1.00 0.00 O ATOM 179 CB ASN A 14 15.738 -19.519 2.068 1.00 0.00 C ATOM 180 CG ASN A 14 14.718 -20.178 2.999 1.00 0.00 C ATOM 181 OD1 ASN A 14 13.626 -20.550 2.576 1.00 0.00 O ATOM 182 ND2 ASN A 14 15.038 -20.365 4.267 1.00 0.00 N ATOM 0 H ASN A 14 16.901 -17.718 0.399 1.00 0.00 H new ATOM 0 HA ASN A 14 14.136 -18.523 1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.054 -20.231 1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.627 -19.242 2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.378 -20.819 4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.945 -20.055 4.615 1.00 0.00 H new ATOM 189 N SER A 15 15.623 -15.969 2.112 1.00 0.00 N ATOM 190 CA SER A 15 15.372 -14.732 2.838 1.00 0.00 C ATOM 191 C SER A 15 14.013 -14.171 2.392 1.00 0.00 C ATOM 192 O SER A 15 13.425 -14.671 1.425 1.00 0.00 O ATOM 193 CB SER A 15 16.480 -13.739 2.512 1.00 0.00 C ATOM 194 OG SER A 15 17.699 -14.140 3.089 1.00 0.00 O ATOM 0 H SER A 15 16.325 -15.880 1.377 1.00 0.00 H new ATOM 0 HA SER A 15 15.356 -14.912 3.913 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.594 -13.657 1.431 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.207 -12.750 2.879 1.00 0.00 H new ATOM 0 HG SER A 15 18.328 -14.394 2.382 1.00 0.00 H new ATOM 200 N GLN A 16 13.502 -13.124 3.050 1.00 0.00 N ATOM 201 CA GLN A 16 12.221 -12.542 2.682 1.00 0.00 C ATOM 202 C GLN A 16 12.211 -11.061 3.031 1.00 0.00 C ATOM 203 O GLN A 16 12.781 -10.653 4.046 1.00 0.00 O ATOM 204 CB GLN A 16 11.106 -13.321 3.417 1.00 0.00 C ATOM 205 CG GLN A 16 9.669 -12.792 3.252 1.00 0.00 C ATOM 206 CD GLN A 16 9.115 -12.844 1.823 1.00 0.00 C ATOM 207 OE1 GLN A 16 9.841 -12.730 0.838 1.00 0.00 O ATOM 208 NE2 GLN A 16 7.816 -13.023 1.665 1.00 0.00 N ATOM 0 H GLN A 16 13.961 -12.668 3.838 1.00 0.00 H new ATOM 0 HA GLN A 16 12.049 -12.620 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.130 -14.355 3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.344 -13.334 4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.010 -13.368 3.901 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.637 -11.760 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.211 -13.118 2.481 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.418 -13.066 0.727 1.00 0.00 H new ATOM 217 N CYS A 17 11.515 -10.272 2.213 1.00 0.00 N ATOM 218 CA CYS A 17 11.209 -8.883 2.502 1.00 0.00 C ATOM 219 C CYS A 17 9.740 -8.604 2.182 1.00 0.00 C ATOM 220 O CYS A 17 9.198 -9.138 1.214 1.00 0.00 O ATOM 221 CB CYS A 17 12.185 -7.927 1.795 1.00 0.00 C ATOM 222 SG CYS A 17 12.785 -8.393 0.143 1.00 0.00 S ATOM 0 H CYS A 17 11.145 -10.591 1.318 1.00 0.00 H new ATOM 0 HA CYS A 17 11.350 -8.695 3.566 1.00 0.00 H new ATOM 0 HB2 CYS A 17 11.700 -6.954 1.713 1.00 0.00 H new ATOM 0 HB3 CYS A 17 13.053 -7.797 2.442 1.00 0.00 H new ATOM 0 HG CYS A 17 13.592 -7.475 -0.300 1.00 0.00 H new ATOM 227 N VAL A 18 9.085 -7.795 3.019 1.00 0.00 N ATOM 228 CA VAL A 18 7.661 -7.476 2.913 1.00 0.00 C ATOM 229 C VAL A 18 7.503 -6.040 3.415 1.00 0.00 C ATOM 230 O VAL A 18 7.994 -5.721 4.502 1.00 0.00 O ATOM 231 CB VAL A 18 6.797 -8.458 3.750 1.00 0.00 C ATOM 232 CG1 VAL A 18 5.305 -8.317 3.413 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.153 -9.940 3.551 1.00 0.00 C ATOM 0 H VAL A 18 9.541 -7.334 3.806 1.00 0.00 H new ATOM 0 HA VAL A 18 7.317 -7.573 1.883 1.00 0.00 H new ATOM 0 HB VAL A 18 7.010 -8.179 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.728 -9.018 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.978 -7.300 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.149 -8.533 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.503 -10.557 4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.017 -10.209 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.192 -10.106 3.837 1.00 0.00 H new ATOM 243 N LYS A 19 6.838 -5.189 2.623 1.00 0.00 N ATOM 244 CA LYS A 19 6.632 -3.750 2.831 1.00 0.00 C ATOM 245 C LYS A 19 7.818 -3.057 3.515 1.00 0.00 C ATOM 246 O LYS A 19 7.627 -2.318 4.478 1.00 0.00 O ATOM 247 CB LYS A 19 5.263 -3.467 3.491 1.00 0.00 C ATOM 248 CG LYS A 19 4.996 -4.252 4.785 1.00 0.00 C ATOM 249 CD LYS A 19 3.879 -3.615 5.624 1.00 0.00 C ATOM 250 CE LYS A 19 3.370 -4.606 6.682 1.00 0.00 C ATOM 251 NZ LYS A 19 2.625 -3.933 7.774 1.00 0.00 N ATOM 0 H LYS A 19 6.399 -5.510 1.760 1.00 0.00 H new ATOM 0 HA LYS A 19 6.595 -3.285 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.194 -2.401 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.475 -3.698 2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.723 -5.278 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.911 -4.299 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.251 -2.713 6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.057 -3.312 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.724 -5.343 6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.216 -5.149 7.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.132 -4.646 8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.290 -3.405 8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.930 -3.276 7.366 1.00 0.00 H new ATOM 265 N SER A 20 9.038 -3.317 3.045 1.00 0.00 N ATOM 266 CA SER A 20 10.283 -2.857 3.653 1.00 0.00 C ATOM 267 C SER A 20 11.263 -2.473 2.546 1.00 0.00 C ATOM 268 O SER A 20 11.146 -2.971 1.422 1.00 0.00 O ATOM 269 CB SER A 20 10.852 -3.971 4.532 1.00 0.00 C ATOM 270 OG SER A 20 9.977 -4.207 5.615 1.00 0.00 O ATOM 0 H SER A 20 9.190 -3.872 2.203 1.00 0.00 H new ATOM 0 HA SER A 20 10.105 -1.982 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.978 -4.882 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.838 -3.690 4.901 1.00 0.00 H new ATOM 0 HG SER A 20 9.220 -4.750 5.311 1.00 0.00 H new ATOM 276 N THR A 21 12.233 -1.613 2.856 1.00 0.00 N ATOM 277 CA THR A 21 13.108 -0.985 1.869 1.00 0.00 C ATOM 278 C THR A 21 14.547 -1.435 2.116 1.00 0.00 C ATOM 279 O THR A 21 14.955 -1.603 3.268 1.00 0.00 O ATOM 280 CB THR A 21 12.946 0.547 1.957 1.00 0.00 C ATOM 281 OG1 THR A 21 11.574 0.908 1.938 1.00 0.00 O ATOM 282 CG2 THR A 21 13.630 1.300 0.812 1.00 0.00 C ATOM 0 H THR A 21 12.435 -1.329 3.815 1.00 0.00 H new ATOM 0 HA THR A 21 12.839 -1.289 0.857 1.00 0.00 H new ATOM 0 HB THR A 21 13.423 0.830 2.895 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.491 1.883 1.996 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.475 2.372 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.698 1.084 0.821 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.204 0.981 -0.139 1.00 0.00 H new ATOM 290 N ALA A 22 15.326 -1.629 1.049 1.00 0.00 N ATOM 291 CA ALA A 22 16.670 -2.172 1.152 1.00 0.00 C ATOM 292 C ALA A 22 17.605 -1.419 0.214 1.00 0.00 C ATOM 293 O ALA A 22 17.330 -1.319 -0.987 1.00 0.00 O ATOM 294 CB ALA A 22 16.631 -3.674 0.840 1.00 0.00 C ATOM 0 H ALA A 22 15.038 -1.413 0.095 1.00 0.00 H new ATOM 0 HA ALA A 22 17.053 -2.046 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.637 -4.088 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.977 -4.177 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.251 -3.826 -0.170 1.00 0.00 H new ATOM 300 N THR A 23 18.722 -0.937 0.758 1.00 0.00 N ATOM 301 CA THR A 23 19.713 -0.149 0.039 1.00 0.00 C ATOM 302 C THR A 23 21.084 -0.825 0.156 1.00 0.00 C ATOM 303 O THR A 23 21.757 -0.685 1.176 1.00 0.00 O ATOM 304 CB THR A 23 19.687 1.305 0.553 1.00 0.00 C ATOM 305 OG1 THR A 23 18.357 1.786 0.667 1.00 0.00 O ATOM 306 CG2 THR A 23 20.450 2.247 -0.385 1.00 0.00 C ATOM 0 H THR A 23 18.966 -1.090 1.737 1.00 0.00 H new ATOM 0 HA THR A 23 19.481 -0.103 -1.025 1.00 0.00 H new ATOM 0 HB THR A 23 20.166 1.293 1.532 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.370 2.709 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.411 3.263 0.009 1.00 0.00 H new ATOM 0 HG22 THR A 23 21.489 1.926 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.994 2.223 -1.375 1.00 0.00 H new ATOM 314 N ASN A 24 21.513 -1.542 -0.894 1.00 0.00 N ATOM 315 CA ASN A 24 22.795 -2.262 -0.963 1.00 0.00 C ATOM 316 C ASN A 24 23.025 -3.188 0.247 1.00 0.00 C ATOM 317 O ASN A 24 24.140 -3.300 0.753 1.00 0.00 O ATOM 318 CB ASN A 24 23.955 -1.269 -1.196 1.00 0.00 C ATOM 319 CG ASN A 24 25.247 -1.978 -1.607 1.00 0.00 C ATOM 320 OD1 ASN A 24 26.246 -1.968 -0.893 1.00 0.00 O ATOM 321 ND2 ASN A 24 25.269 -2.576 -2.787 1.00 0.00 N ATOM 0 H ASN A 24 20.960 -1.640 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 24 22.758 -2.932 -1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 24 23.671 -0.556 -1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 24 24.130 -0.697 -0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 24 26.121 -3.034 -3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 24 24.434 -2.579 -3.373 1.00 0.00 H new ATOM 328 N CYS A 25 21.966 -3.814 0.766 1.00 0.00 N ATOM 329 CA CYS A 25 22.062 -4.717 1.906 1.00 0.00 C ATOM 330 C CYS A 25 22.468 -6.104 1.412 1.00 0.00 C ATOM 331 O CYS A 25 22.407 -6.389 0.213 1.00 0.00 O ATOM 332 CB CYS A 25 20.723 -4.791 2.655 1.00 0.00 C ATOM 333 SG CYS A 25 19.896 -3.202 2.900 1.00 0.00 S ATOM 0 H CYS A 25 21.018 -3.706 0.404 1.00 0.00 H new ATOM 0 HA CYS A 25 22.815 -4.340 2.598 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.052 -5.452 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.894 -5.249 3.629 1.00 0.00 H new ATOM 338 N TYR A 26 22.796 -6.990 2.345 1.00 0.00 N ATOM 339 CA TYR A 26 23.158 -8.368 2.077 1.00 0.00 C ATOM 340 C TYR A 26 22.387 -9.189 3.100 1.00 0.00 C ATOM 341 O TYR A 26 22.740 -9.217 4.278 1.00 0.00 O ATOM 342 CB TYR A 26 24.682 -8.532 2.174 1.00 0.00 C ATOM 343 CG TYR A 26 25.452 -7.633 1.220 1.00 0.00 C ATOM 344 CD1 TYR A 26 25.659 -8.027 -0.116 1.00 0.00 C ATOM 345 CD2 TYR A 26 25.911 -6.374 1.656 1.00 0.00 C ATOM 346 CE1 TYR A 26 26.308 -7.165 -1.017 1.00 0.00 C ATOM 347 CE2 TYR A 26 26.560 -5.505 0.761 1.00 0.00 C ATOM 348 CZ TYR A 26 26.755 -5.895 -0.585 1.00 0.00 C ATOM 349 OH TYR A 26 27.371 -5.060 -1.470 1.00 0.00 O ATOM 0 H TYR A 26 22.817 -6.758 3.338 1.00 0.00 H new ATOM 0 HA TYR A 26 22.900 -8.700 1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 26 24.998 -8.319 3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.941 -9.571 1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 26 25.318 -8.996 -0.450 1.00 0.00 H new ATOM 0 HD2 TYR A 26 25.764 -6.075 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 26 26.465 -7.473 -2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 26 26.909 -4.541 1.101 1.00 0.00 H new ATOM 0 HH TYR A 26 27.071 -4.140 -1.315 1.00 0.00 H new ATOM 359 N ILE A 27 21.275 -9.773 2.664 1.00 0.00 N ATOM 360 CA ILE A 27 20.287 -10.418 3.511 1.00 0.00 C ATOM 361 C ILE A 27 20.396 -11.912 3.201 1.00 0.00 C ATOM 362 O ILE A 27 20.040 -12.328 2.095 1.00 0.00 O ATOM 363 CB ILE A 27 18.895 -9.813 3.186 1.00 0.00 C ATOM 364 CG1 ILE A 27 18.818 -8.267 3.244 1.00 0.00 C ATOM 365 CG2 ILE A 27 17.778 -10.452 4.019 1.00 0.00 C ATOM 366 CD1 ILE A 27 19.142 -7.643 4.602 1.00 0.00 C ATOM 0 H ILE A 27 21.032 -9.809 1.674 1.00 0.00 H new ATOM 0 HA ILE A 27 20.443 -10.265 4.579 1.00 0.00 H new ATOM 0 HB ILE A 27 18.738 -10.067 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.505 -7.858 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 27 17.814 -7.959 2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.823 -9.997 3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 27 17.738 -11.522 3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.978 -10.292 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 27 19.059 -6.558 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 27 18.441 -8.014 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 27 20.158 -7.911 4.893 1.00 0.00 H new ATOM 378 N ASP A 28 20.925 -12.702 4.141 1.00 0.00 N ATOM 379 CA ASP A 28 21.191 -14.129 3.974 1.00 0.00 C ATOM 380 C ASP A 28 20.389 -14.906 5.010 1.00 0.00 C ATOM 381 O ASP A 28 20.513 -14.651 6.207 1.00 0.00 O ATOM 382 CB ASP A 28 22.689 -14.408 4.144 1.00 0.00 C ATOM 383 CG ASP A 28 22.965 -15.916 4.285 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.642 -16.684 3.353 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.538 -16.337 5.314 1.00 0.00 O ATOM 0 H ASP A 28 21.186 -12.354 5.064 1.00 0.00 H new ATOM 0 HA ASP A 28 20.894 -14.443 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 28 23.234 -14.015 3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 28 23.061 -13.884 5.025 1.00 0.00 H new ATOM 390 N ASN A 29 19.557 -15.840 4.547 1.00 0.00 N ATOM 391 CA ASN A 29 18.538 -16.567 5.313 1.00 0.00 C ATOM 392 C ASN A 29 17.786 -15.682 6.326 1.00 0.00 C ATOM 393 O ASN A 29 17.451 -16.139 7.420 1.00 0.00 O ATOM 394 CB ASN A 29 19.152 -17.819 5.972 1.00 0.00 C ATOM 395 CG ASN A 29 18.069 -18.851 6.277 1.00 0.00 C ATOM 396 OD1 ASN A 29 17.400 -19.319 5.361 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.862 -19.263 7.516 1.00 0.00 N ATOM 0 H ASN A 29 19.576 -16.128 3.569 1.00 0.00 H new ATOM 0 HA ASN A 29 17.776 -16.892 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.901 -18.254 5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.664 -17.538 6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.149 -19.967 7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.415 -18.877 8.281 1.00 0.00 H new ATOM 404 N SER A 30 17.536 -14.413 5.989 1.00 0.00 N ATOM 405 CA SER A 30 17.044 -13.410 6.926 1.00 0.00 C ATOM 406 C SER A 30 15.747 -12.753 6.463 1.00 0.00 C ATOM 407 O SER A 30 15.326 -12.892 5.315 1.00 0.00 O ATOM 408 CB SER A 30 18.138 -12.360 7.152 1.00 0.00 C ATOM 409 OG SER A 30 19.261 -12.921 7.789 1.00 0.00 O ATOM 0 H SER A 30 17.673 -14.053 5.044 1.00 0.00 H new ATOM 0 HA SER A 30 16.808 -13.912 7.864 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.436 -11.931 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.743 -11.545 7.758 1.00 0.00 H new ATOM 0 HG SER A 30 19.830 -13.360 7.123 1.00 0.00 H new ATOM 415 N GLN A 31 15.106 -12.029 7.378 1.00 0.00 N ATOM 416 CA GLN A 31 13.763 -11.499 7.212 1.00 0.00 C ATOM 417 C GLN A 31 13.803 -10.002 7.502 1.00 0.00 C ATOM 418 O GLN A 31 14.228 -9.592 8.584 1.00 0.00 O ATOM 419 CB GLN A 31 12.810 -12.224 8.174 1.00 0.00 C ATOM 420 CG GLN A 31 12.685 -13.732 7.888 1.00 0.00 C ATOM 421 CD GLN A 31 11.931 -14.487 8.985 1.00 0.00 C ATOM 422 OE1 GLN A 31 11.362 -13.903 9.905 1.00 0.00 O ATOM 423 NE2 GLN A 31 11.932 -15.809 8.929 1.00 0.00 N ATOM 0 H GLN A 31 15.522 -11.791 8.278 1.00 0.00 H new ATOM 0 HA GLN A 31 13.403 -11.657 6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.161 -12.083 9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.823 -11.766 8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.171 -13.875 6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.682 -14.160 7.779 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.406 -16.287 8.163 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.459 -16.350 9.652 1.00 0.00 H new ATOM 432 N LEU A 32 13.350 -9.205 6.536 1.00 0.00 N ATOM 433 CA LEU A 32 13.311 -7.742 6.595 1.00 0.00 C ATOM 434 C LEU A 32 11.847 -7.340 6.393 1.00 0.00 C ATOM 435 O LEU A 32 11.401 -7.259 5.248 1.00 0.00 O ATOM 436 CB LEU A 32 14.238 -7.202 5.484 1.00 0.00 C ATOM 437 CG LEU A 32 14.238 -5.669 5.330 1.00 0.00 C ATOM 438 CD1 LEU A 32 15.125 -4.998 6.380 1.00 0.00 C ATOM 439 CD2 LEU A 32 14.738 -5.270 3.938 1.00 0.00 C ATOM 0 H LEU A 32 12.986 -9.573 5.657 1.00 0.00 H new ATOM 0 HA LEU A 32 13.661 -7.331 7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.257 -7.532 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.942 -7.648 4.535 1.00 0.00 H new ATOM 0 HG LEU A 32 13.210 -5.333 5.469 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.100 -3.917 6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.758 -5.244 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.149 -5.354 6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.731 -4.184 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.753 -5.640 3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.085 -5.702 3.179 1.00 0.00 H new ATOM 451 N VAL A 33 11.083 -7.114 7.467 1.00 0.00 N ATOM 452 CA VAL A 33 9.627 -6.970 7.340 1.00 0.00 C ATOM 453 C VAL A 33 9.054 -5.733 8.039 1.00 0.00 C ATOM 454 O VAL A 33 9.686 -5.152 8.923 1.00 0.00 O ATOM 455 CB VAL A 33 8.941 -8.282 7.793 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.312 -9.459 6.874 1.00 0.00 C ATOM 457 CG2 VAL A 33 9.262 -8.676 9.245 1.00 0.00 C ATOM 0 H VAL A 33 11.439 -7.028 8.419 1.00 0.00 H new ATOM 0 HA VAL A 33 9.407 -6.796 6.287 1.00 0.00 H new ATOM 0 HB VAL A 33 7.873 -8.074 7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.813 -10.363 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.995 -9.239 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.391 -9.610 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.747 -9.604 9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.337 -8.817 9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.929 -7.886 9.918 1.00 0.00 H new ATOM 467 N ASP A 34 7.822 -5.378 7.651 1.00 0.00 N ATOM 468 CA ASP A 34 6.979 -4.341 8.249 1.00 0.00 C ATOM 469 C ASP A 34 7.695 -3.001 8.413 1.00 0.00 C ATOM 470 O ASP A 34 8.062 -2.613 9.515 1.00 0.00 O ATOM 471 CB ASP A 34 6.345 -4.847 9.551 1.00 0.00 C ATOM 472 CG ASP A 34 5.437 -3.793 10.200 1.00 0.00 C ATOM 473 OD1 ASP A 34 4.661 -3.131 9.471 1.00 0.00 O ATOM 474 OD2 ASP A 34 5.436 -3.708 11.450 1.00 0.00 O ATOM 0 H ASP A 34 7.362 -5.836 6.864 1.00 0.00 H new ATOM 0 HA ASP A 34 6.171 -4.134 7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.765 -5.747 9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.132 -5.128 10.251 1.00 0.00 H new ATOM 479 N THR A 35 7.897 -2.283 7.309 1.00 0.00 N ATOM 480 CA THR A 35 8.608 -1.023 7.220 1.00 0.00 C ATOM 481 C THR A 35 9.998 -1.042 7.872 1.00 0.00 C ATOM 482 O THR A 35 10.417 -0.077 8.518 1.00 0.00 O ATOM 483 CB THR A 35 7.697 0.145 7.623 1.00 0.00 C ATOM 484 OG1 THR A 35 6.339 -0.072 7.263 1.00 0.00 O ATOM 485 CG2 THR A 35 8.155 1.420 6.907 1.00 0.00 C ATOM 0 H THR A 35 7.545 -2.590 6.402 1.00 0.00 H new ATOM 0 HA THR A 35 8.858 -0.854 6.173 1.00 0.00 H new ATOM 0 HB THR A 35 7.766 0.235 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.800 0.697 7.542 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.509 2.250 7.193 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.183 1.647 7.190 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.100 1.272 5.829 1.00 0.00 H new ATOM 493 N SER A 36 10.714 -2.158 7.740 1.00 0.00 N ATOM 494 CA SER A 36 12.117 -2.178 8.083 1.00 0.00 C ATOM 495 C SER A 36 12.828 -1.475 6.929 1.00 0.00 C ATOM 496 O SER A 36 12.353 -1.462 5.787 1.00 0.00 O ATOM 497 CB SER A 36 12.643 -3.599 8.244 1.00 0.00 C ATOM 498 OG SER A 36 12.107 -4.185 9.404 1.00 0.00 O ATOM 0 H SER A 36 10.342 -3.045 7.401 1.00 0.00 H new ATOM 0 HA SER A 36 12.290 -1.684 9.039 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.377 -4.194 7.371 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.731 -3.588 8.303 1.00 0.00 H new ATOM 0 HG SER A 36 11.256 -4.619 9.188 1.00 0.00 H new ATOM 504 N ILE A 37 13.973 -0.882 7.223 1.00 0.00 N ATOM 505 CA ILE A 37 14.765 -0.146 6.261 1.00 0.00 C ATOM 506 C ILE A 37 16.215 -0.536 6.556 1.00 0.00 C ATOM 507 O ILE A 37 16.642 -0.454 7.712 1.00 0.00 O ATOM 508 CB ILE A 37 14.469 1.374 6.381 1.00 0.00 C ATOM 509 CG1 ILE A 37 12.994 1.698 6.032 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.433 2.186 5.492 1.00 0.00 C ATOM 511 CD1 ILE A 37 12.616 3.181 6.127 1.00 0.00 C ATOM 0 H ILE A 37 14.383 -0.901 8.157 1.00 0.00 H new ATOM 0 HA ILE A 37 14.532 -0.385 5.223 1.00 0.00 H new ATOM 0 HB ILE A 37 14.630 1.661 7.420 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.792 1.351 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.345 1.130 6.699 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.210 3.248 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 37 16.460 2.001 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.311 1.884 4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.566 3.306 5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.780 3.534 7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.233 3.759 5.439 1.00 0.00 H new ATOM 523 N CYS A 38 16.978 -0.958 5.542 1.00 0.00 N ATOM 524 CA CYS A 38 18.379 -1.318 5.710 1.00 0.00 C ATOM 525 C CYS A 38 19.213 -0.551 4.691 1.00 0.00 C ATOM 526 O CYS A 38 18.745 -0.265 3.583 1.00 0.00 O ATOM 527 CB CYS A 38 18.572 -2.842 5.624 1.00 0.00 C ATOM 528 SG CYS A 38 18.248 -3.627 4.023 1.00 0.00 S ATOM 0 H CYS A 38 16.637 -1.057 4.586 1.00 0.00 H new ATOM 0 HA CYS A 38 18.722 -1.034 6.705 1.00 0.00 H new ATOM 0 HB2 CYS A 38 19.599 -3.069 5.910 1.00 0.00 H new ATOM 0 HB3 CYS A 38 17.923 -3.307 6.366 1.00 0.00 H new ATOM 533 N THR A 39 20.456 -0.256 5.063 1.00 0.00 N ATOM 534 CA THR A 39 21.402 0.488 4.257 1.00 0.00 C ATOM 535 C THR A 39 22.766 -0.149 4.512 1.00 0.00 C ATOM 536 O THR A 39 23.206 -0.218 5.662 1.00 0.00 O ATOM 537 CB THR A 39 21.379 1.979 4.659 1.00 0.00 C ATOM 538 OG1 THR A 39 20.060 2.465 4.837 1.00 0.00 O ATOM 539 CG2 THR A 39 22.058 2.864 3.607 1.00 0.00 C ATOM 0 H THR A 39 20.839 -0.541 5.965 1.00 0.00 H new ATOM 0 HA THR A 39 21.159 0.451 3.195 1.00 0.00 H new ATOM 0 HB THR A 39 21.923 2.031 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.091 3.411 5.092 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.020 3.905 3.928 1.00 0.00 H new ATOM 0 HG22 THR A 39 23.098 2.558 3.490 1.00 0.00 H new ATOM 0 HG23 THR A 39 21.540 2.759 2.654 1.00 0.00 H new ATOM 547 N ARG A 40 23.423 -0.639 3.459 1.00 0.00 N ATOM 548 CA ARG A 40 24.759 -1.255 3.460 1.00 0.00 C ATOM 549 C ARG A 40 25.027 -2.197 4.645 1.00 0.00 C ATOM 550 O ARG A 40 26.133 -2.208 5.187 1.00 0.00 O ATOM 551 CB ARG A 40 25.854 -0.192 3.227 1.00 0.00 C ATOM 552 CG ARG A 40 25.924 0.916 4.294 1.00 0.00 C ATOM 553 CD ARG A 40 27.205 1.747 4.165 1.00 0.00 C ATOM 554 NE ARG A 40 28.372 1.010 4.677 1.00 0.00 N ATOM 555 CZ ARG A 40 29.636 1.082 4.252 1.00 0.00 C ATOM 556 NH1 ARG A 40 29.979 1.823 3.200 1.00 0.00 N ATOM 557 NH2 ARG A 40 30.547 0.391 4.922 1.00 0.00 N ATOM 0 H ARG A 40 23.015 -0.617 2.524 1.00 0.00 H new ATOM 0 HA ARG A 40 24.793 -1.935 2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 40 26.821 -0.693 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 40 25.688 0.271 2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 40 25.056 1.568 4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 40 25.879 0.468 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 40 27.367 2.010 3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 40 27.092 2.682 4.715 1.00 0.00 H new ATOM 0 HE ARG A 40 28.194 0.367 5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.268 2.354 2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.952 1.859 2.897 1.00 0.00 H new ATOM 0 HH21 ARG A 40 30.271 -0.168 5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.524 0.418 4.631 1.00 0.00 H new ATOM 571 N SER A 41 24.023 -2.972 5.062 1.00 0.00 N ATOM 572 CA SER A 41 24.102 -3.830 6.239 1.00 0.00 C ATOM 573 C SER A 41 24.057 -5.302 5.836 1.00 0.00 C ATOM 574 O SER A 41 23.509 -5.657 4.789 1.00 0.00 O ATOM 575 CB SER A 41 22.962 -3.485 7.199 1.00 0.00 C ATOM 576 OG SER A 41 23.094 -2.146 7.639 1.00 0.00 O ATOM 0 H SER A 41 23.123 -3.019 4.584 1.00 0.00 H new ATOM 0 HA SER A 41 25.051 -3.658 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 41 22.002 -3.621 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.977 -4.161 8.054 1.00 0.00 H new ATOM 0 HG SER A 41 23.029 -1.541 6.871 1.00 0.00 H new ATOM 582 N GLN A 42 24.610 -6.147 6.702 1.00 0.00 N ATOM 583 CA GLN A 42 24.637 -7.599 6.569 1.00 0.00 C ATOM 584 C GLN A 42 23.641 -8.160 7.578 1.00 0.00 C ATOM 585 O GLN A 42 23.754 -7.862 8.769 1.00 0.00 O ATOM 586 CB GLN A 42 26.064 -8.106 6.856 1.00 0.00 C ATOM 587 CG GLN A 42 26.216 -9.640 6.870 1.00 0.00 C ATOM 588 CD GLN A 42 25.982 -10.291 5.504 1.00 0.00 C ATOM 589 OE1 GLN A 42 26.608 -9.926 4.512 1.00 0.00 O ATOM 590 NE2 GLN A 42 25.101 -11.273 5.415 1.00 0.00 N ATOM 0 H GLN A 42 25.071 -5.823 7.552 1.00 0.00 H new ATOM 0 HA GLN A 42 24.365 -7.919 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.738 -7.695 6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.386 -7.715 7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 42 27.217 -9.894 7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 42 25.512 -10.060 7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 42 24.585 -11.571 6.242 1.00 0.00 H new ATOM 0 HE22 GLN A 42 24.938 -11.732 4.519 1.00 0.00 H new ATOM 599 N TYR A 43 22.687 -8.973 7.128 1.00 0.00 N ATOM 600 CA TYR A 43 21.804 -9.747 7.993 1.00 0.00 C ATOM 601 C TYR A 43 22.106 -11.205 7.666 1.00 0.00 C ATOM 602 O TYR A 43 22.193 -11.557 6.486 1.00 0.00 O ATOM 603 CB TYR A 43 20.311 -9.492 7.718 1.00 0.00 C ATOM 604 CG TYR A 43 19.676 -8.132 7.977 1.00 0.00 C ATOM 605 CD1 TYR A 43 20.420 -6.947 8.152 1.00 0.00 C ATOM 606 CD2 TYR A 43 18.269 -8.058 7.967 1.00 0.00 C ATOM 607 CE1 TYR A 43 19.773 -5.712 8.297 1.00 0.00 C ATOM 608 CE2 TYR A 43 17.615 -6.824 8.110 1.00 0.00 C ATOM 609 CZ TYR A 43 18.366 -5.642 8.298 1.00 0.00 C ATOM 610 OH TYR A 43 17.758 -4.440 8.503 1.00 0.00 O ATOM 0 H TYR A 43 22.504 -9.113 6.134 1.00 0.00 H new ATOM 0 HA TYR A 43 21.979 -9.473 9.033 1.00 0.00 H new ATOM 0 HB2 TYR A 43 20.137 -9.728 6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.752 -10.220 8.305 1.00 0.00 H new ATOM 0 HD1 TYR A 43 21.499 -6.991 8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 43 17.687 -8.960 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.356 -4.810 8.408 1.00 0.00 H new ATOM 0 HE2 TYR A 43 16.537 -6.778 8.076 1.00 0.00 H new ATOM 0 HH TYR A 43 16.785 -4.556 8.474 1.00 0.00 H new ATOM 620 N SER A 44 22.245 -12.045 8.685 1.00 0.00 N ATOM 621 CA SER A 44 22.609 -13.438 8.526 1.00 0.00 C ATOM 622 C SER A 44 21.781 -14.258 9.515 1.00 0.00 C ATOM 623 O SER A 44 21.924 -14.104 10.729 1.00 0.00 O ATOM 624 CB SER A 44 24.113 -13.603 8.776 1.00 0.00 C ATOM 625 OG SER A 44 24.879 -12.753 7.933 1.00 0.00 O ATOM 0 H SER A 44 22.105 -11.768 9.657 1.00 0.00 H new ATOM 0 HA SER A 44 22.403 -13.787 7.514 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.336 -13.379 9.819 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.399 -14.641 8.605 1.00 0.00 H new ATOM 0 HG SER A 44 25.117 -13.234 7.113 1.00 0.00 H new ATOM 631 N ASP A 45 20.918 -15.130 8.990 1.00 0.00 N ATOM 632 CA ASP A 45 19.977 -15.967 9.736 1.00 0.00 C ATOM 633 C ASP A 45 19.192 -15.190 10.814 1.00 0.00 C ATOM 634 O ASP A 45 18.978 -15.682 11.923 1.00 0.00 O ATOM 635 CB ASP A 45 20.715 -17.207 10.262 1.00 0.00 C ATOM 636 CG ASP A 45 19.752 -18.266 10.813 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.793 -18.624 10.093 1.00 0.00 O ATOM 638 OD2 ASP A 45 20.003 -18.802 11.918 1.00 0.00 O ATOM 0 H ASP A 45 20.853 -15.279 7.983 1.00 0.00 H new ATOM 0 HA ASP A 45 19.194 -16.308 9.059 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.309 -17.642 9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.410 -16.908 11.046 1.00 0.00 H new ATOM 643 N ALA A 46 18.781 -13.952 10.508 1.00 0.00 N ATOM 644 CA ALA A 46 18.223 -12.992 11.460 1.00 0.00 C ATOM 645 C ALA A 46 16.836 -12.491 11.036 1.00 0.00 C ATOM 646 O ALA A 46 16.423 -12.655 9.888 1.00 0.00 O ATOM 647 CB ALA A 46 19.206 -11.819 11.579 1.00 0.00 C ATOM 0 H ALA A 46 18.831 -13.583 9.559 1.00 0.00 H new ATOM 0 HA ALA A 46 18.089 -13.484 12.423 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.814 -11.086 12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.169 -12.186 11.934 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.334 -11.351 10.603 1.00 0.00 H new ATOM 653 N ASN A 47 16.125 -11.822 11.947 1.00 0.00 N ATOM 654 CA ASN A 47 14.833 -11.190 11.681 1.00 0.00 C ATOM 655 C ASN A 47 14.870 -9.755 12.175 1.00 0.00 C ATOM 656 O ASN A 47 15.398 -9.467 13.250 1.00 0.00 O ATOM 657 CB ASN A 47 13.685 -11.960 12.348 1.00 0.00 C ATOM 658 CG ASN A 47 12.362 -11.188 12.347 1.00 0.00 C ATOM 659 OD1 ASN A 47 12.150 -10.293 13.158 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.438 -11.512 11.458 1.00 0.00 N ATOM 0 H ASN A 47 16.439 -11.703 12.910 1.00 0.00 H new ATOM 0 HA ASN A 47 14.651 -11.203 10.606 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.545 -12.910 11.832 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.961 -12.194 13.376 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.546 -11.017 11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 47 11.617 -12.257 10.785 1.00 0.00 H new ATOM 667 N VAL A 48 14.288 -8.869 11.381 1.00 0.00 N ATOM 668 CA VAL A 48 14.210 -7.447 11.658 1.00 0.00 C ATOM 669 C VAL A 48 12.801 -6.973 11.300 1.00 0.00 C ATOM 670 O VAL A 48 12.265 -7.337 10.244 1.00 0.00 O ATOM 671 CB VAL A 48 15.317 -6.701 10.886 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.301 -5.207 11.223 1.00 0.00 C ATOM 673 CG2 VAL A 48 16.722 -7.264 11.188 1.00 0.00 C ATOM 0 H VAL A 48 13.844 -9.130 10.500 1.00 0.00 H new ATOM 0 HA VAL A 48 14.381 -7.235 12.713 1.00 0.00 H new ATOM 0 HB VAL A 48 15.107 -6.848 9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.090 -4.700 10.667 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.335 -4.783 10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.467 -5.073 12.292 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.467 -6.706 10.621 1.00 0.00 H new ATOM 0 HG22 VAL A 48 16.931 -7.169 12.254 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.762 -8.315 10.903 1.00 0.00 H new ATOM 683 N LYS A 49 12.214 -6.159 12.185 1.00 0.00 N ATOM 684 CA LYS A 49 10.858 -5.640 12.053 1.00 0.00 C ATOM 685 C LYS A 49 10.880 -4.148 12.356 1.00 0.00 C ATOM 686 O LYS A 49 11.455 -3.744 13.370 1.00 0.00 O ATOM 687 CB LYS A 49 9.924 -6.405 13.005 1.00 0.00 C ATOM 688 CG LYS A 49 8.438 -6.125 12.723 1.00 0.00 C ATOM 689 CD LYS A 49 7.538 -6.888 13.707 1.00 0.00 C ATOM 690 CE LYS A 49 6.039 -6.797 13.377 1.00 0.00 C ATOM 691 NZ LYS A 49 5.459 -5.447 13.589 1.00 0.00 N ATOM 0 H LYS A 49 12.685 -5.838 13.031 1.00 0.00 H new ATOM 0 HA LYS A 49 10.482 -5.781 11.040 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.113 -7.475 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.154 -6.129 14.034 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.244 -5.055 12.802 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.196 -6.418 11.701 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.835 -7.937 13.718 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.703 -6.500 14.712 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.887 -7.088 12.338 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.497 -7.516 13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.512 -5.538 14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.072 -4.903 14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.386 -4.953 12.677 1.00 0.00 H new ATOM 705 N LYS A 50 10.238 -3.342 11.509 1.00 0.00 N ATOM 706 CA LYS A 50 10.090 -1.886 11.593 1.00 0.00 C ATOM 707 C LYS A 50 11.330 -1.120 12.066 1.00 0.00 C ATOM 708 O LYS A 50 11.197 -0.107 12.752 1.00 0.00 O ATOM 709 CB LYS A 50 8.810 -1.563 12.400 1.00 0.00 C ATOM 710 CG LYS A 50 8.164 -0.228 11.993 1.00 0.00 C ATOM 711 CD LYS A 50 6.821 -0.035 12.707 1.00 0.00 C ATOM 712 CE LYS A 50 6.194 1.303 12.294 1.00 0.00 C ATOM 713 NZ LYS A 50 4.873 1.529 12.933 1.00 0.00 N ATOM 0 H LYS A 50 9.772 -3.718 10.683 1.00 0.00 H new ATOM 0 HA LYS A 50 9.981 -1.511 10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.087 -2.367 12.262 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.054 -1.533 13.462 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.834 0.596 12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.014 -0.205 10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.146 -0.854 12.458 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.967 -0.059 13.787 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.869 2.116 12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.080 1.329 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.490 2.445 12.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.219 0.769 12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.984 1.532 13.967 1.00 0.00 H new ATOM 727 N SER A 51 12.534 -1.579 11.730 1.00 0.00 N ATOM 728 CA SER A 51 13.765 -1.001 12.257 1.00 0.00 C ATOM 729 C SER A 51 14.494 -0.265 11.141 1.00 0.00 C ATOM 730 O SER A 51 14.233 -0.519 9.966 1.00 0.00 O ATOM 731 CB SER A 51 14.614 -2.117 12.859 1.00 0.00 C ATOM 732 OG SER A 51 13.920 -2.716 13.941 1.00 0.00 O ATOM 0 H SER A 51 12.682 -2.358 11.088 1.00 0.00 H new ATOM 0 HA SER A 51 13.550 -0.277 13.043 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.839 -2.866 12.100 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.567 -1.716 13.203 1.00 0.00 H new ATOM 0 HG SER A 51 13.105 -3.146 13.609 1.00 0.00 H new ATOM 738 N VAL A 52 15.416 0.626 11.490 1.00 0.00 N ATOM 739 CA VAL A 52 16.187 1.411 10.535 1.00 0.00 C ATOM 740 C VAL A 52 17.640 1.093 10.856 1.00 0.00 C ATOM 741 O VAL A 52 18.111 1.394 11.954 1.00 0.00 O ATOM 742 CB VAL A 52 15.829 2.909 10.639 1.00 0.00 C ATOM 743 CG1 VAL A 52 16.574 3.718 9.568 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.318 3.150 10.467 1.00 0.00 C ATOM 0 H VAL A 52 15.652 0.826 12.462 1.00 0.00 H new ATOM 0 HA VAL A 52 15.971 1.163 9.496 1.00 0.00 H new ATOM 0 HB VAL A 52 16.129 3.235 11.635 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.309 4.771 9.658 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.649 3.602 9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.294 3.356 8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.108 4.217 10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.001 2.790 9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.773 2.614 11.244 1.00 0.00 H new ATOM 754 N THR A 53 18.354 0.473 9.922 1.00 0.00 N ATOM 755 CA THR A 53 19.645 -0.088 10.172 1.00 0.00 C ATOM 756 C THR A 53 20.607 0.399 9.083 1.00 0.00 C ATOM 757 O THR A 53 20.276 0.367 7.895 1.00 0.00 O ATOM 758 CB THR A 53 19.351 -1.593 10.200 1.00 0.00 C ATOM 759 OG1 THR A 53 18.873 -1.967 11.479 1.00 0.00 O ATOM 760 CG2 THR A 53 20.563 -2.396 9.814 1.00 0.00 C ATOM 0 H THR A 53 18.033 0.353 8.961 1.00 0.00 H new ATOM 0 HA THR A 53 20.143 0.201 11.097 1.00 0.00 H new ATOM 0 HB THR A 53 18.577 -1.808 9.463 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.686 -2.929 11.490 1.00 0.00 H new ATOM 0 HG21 THR A 53 20.320 -3.458 9.844 1.00 0.00 H new ATOM 0 HG22 THR A 53 20.874 -2.123 8.806 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.374 -2.189 10.512 1.00 0.00 H new ATOM 768 N THR A 54 21.797 0.844 9.489 1.00 0.00 N ATOM 769 CA THR A 54 22.813 1.390 8.604 1.00 0.00 C ATOM 770 C THR A 54 24.170 0.810 9.007 1.00 0.00 C ATOM 771 O THR A 54 24.569 0.920 10.168 1.00 0.00 O ATOM 772 CB THR A 54 22.803 2.929 8.697 1.00 0.00 C ATOM 773 OG1 THR A 54 21.508 3.446 8.438 1.00 0.00 O ATOM 774 CG2 THR A 54 23.772 3.581 7.702 1.00 0.00 C ATOM 0 H THR A 54 22.083 0.832 10.468 1.00 0.00 H new ATOM 0 HA THR A 54 22.611 1.119 7.568 1.00 0.00 H new ATOM 0 HB THR A 54 23.117 3.167 9.713 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.527 4.424 8.504 1.00 0.00 H new ATOM 0 HG21 THR A 54 23.727 4.665 7.808 1.00 0.00 H new ATOM 0 HG22 THR A 54 24.787 3.238 7.905 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.491 3.304 6.686 1.00 0.00 H new ATOM 782 N ASP A 55 24.894 0.257 8.029 1.00 0.00 N ATOM 783 CA ASP A 55 26.248 -0.285 8.156 1.00 0.00 C ATOM 784 C ASP A 55 26.401 -1.267 9.329 1.00 0.00 C ATOM 785 O ASP A 55 27.362 -1.184 10.095 1.00 0.00 O ATOM 786 CB ASP A 55 27.269 0.866 8.175 1.00 0.00 C ATOM 787 CG ASP A 55 28.715 0.360 8.032 1.00 0.00 C ATOM 788 OD1 ASP A 55 28.985 -0.402 7.076 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.601 0.800 8.799 1.00 0.00 O ATOM 0 H ASP A 55 24.532 0.172 7.079 1.00 0.00 H new ATOM 0 HA ASP A 55 26.454 -0.897 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.047 1.560 7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.171 1.422 9.107 1.00 0.00 H new ATOM 794 N CYS A 56 25.444 -2.189 9.502 1.00 0.00 N ATOM 795 CA CYS A 56 25.417 -3.099 10.643 1.00 0.00 C ATOM 796 C CYS A 56 25.691 -4.537 10.208 1.00 0.00 C ATOM 797 O CYS A 56 25.636 -4.854 9.018 1.00 0.00 O ATOM 798 CB CYS A 56 24.082 -2.990 11.394 1.00 0.00 C ATOM 799 SG CYS A 56 23.897 -1.475 12.373 1.00 0.00 S ATOM 0 H CYS A 56 24.669 -2.321 8.852 1.00 0.00 H new ATOM 0 HA CYS A 56 26.213 -2.806 11.328 1.00 0.00 H new ATOM 0 HB2 CYS A 56 23.267 -3.044 10.672 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.979 -3.851 12.055 1.00 0.00 H new ATOM 804 N ASN A 57 25.947 -5.419 11.178 1.00 0.00 N ATOM 805 CA ASN A 57 26.167 -6.844 10.965 1.00 0.00 C ATOM 806 C ASN A 57 25.289 -7.534 11.992 1.00 0.00 C ATOM 807 O ASN A 57 25.537 -7.396 13.185 1.00 0.00 O ATOM 808 CB ASN A 57 27.652 -7.185 11.169 1.00 0.00 C ATOM 809 CG ASN A 57 27.905 -8.689 11.239 1.00 0.00 C ATOM 810 OD1 ASN A 57 27.193 -9.487 10.635 1.00 0.00 O ATOM 811 ND2 ASN A 57 28.926 -9.106 11.971 1.00 0.00 N ATOM 0 H ASN A 57 26.008 -5.149 12.160 1.00 0.00 H new ATOM 0 HA ASN A 57 25.917 -7.163 9.953 1.00 0.00 H new ATOM 0 HB2 ASN A 57 28.234 -6.760 10.351 1.00 0.00 H new ATOM 0 HB3 ASN A 57 28.005 -6.718 12.088 1.00 0.00 H new ATOM 0 HD21 ASN A 57 29.131 -10.103 12.039 1.00 0.00 H new ATOM 0 HD22 ASN A 57 29.508 -8.430 12.467 1.00 0.00 H new ATOM 818 N ILE A 58 24.244 -8.221 11.550 1.00 0.00 N ATOM 819 CA ILE A 58 23.195 -8.738 12.415 1.00 0.00 C ATOM 820 C ILE A 58 23.161 -10.244 12.189 1.00 0.00 C ATOM 821 O ILE A 58 22.686 -10.699 11.149 1.00 0.00 O ATOM 822 CB ILE A 58 21.862 -8.003 12.109 1.00 0.00 C ATOM 823 CG1 ILE A 58 22.025 -6.477 12.337 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.716 -8.574 12.962 1.00 0.00 C ATOM 825 CD1 ILE A 58 20.758 -5.644 12.114 1.00 0.00 C ATOM 0 H ILE A 58 24.100 -8.438 10.564 1.00 0.00 H new ATOM 0 HA ILE A 58 23.375 -8.558 13.475 1.00 0.00 H new ATOM 0 HB ILE A 58 21.607 -8.165 11.062 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.373 -6.314 13.357 1.00 0.00 H new ATOM 0 HG13 ILE A 58 22.805 -6.108 11.671 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.792 -8.044 12.731 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.591 -9.634 12.741 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.952 -8.449 14.019 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.977 -4.592 12.298 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.417 -5.769 11.086 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.978 -5.978 12.798 1.00 0.00 H new ATOM 837 N ASP A 59 23.690 -11.015 13.141 1.00 0.00 N ATOM 838 CA ASP A 59 23.858 -12.457 13.001 1.00 0.00 C ATOM 839 C ASP A 59 22.985 -13.161 14.030 1.00 0.00 C ATOM 840 O ASP A 59 23.030 -12.812 15.211 1.00 0.00 O ATOM 841 CB ASP A 59 25.331 -12.827 13.194 1.00 0.00 C ATOM 842 CG ASP A 59 25.533 -14.346 13.083 1.00 0.00 C ATOM 843 OD1 ASP A 59 25.415 -14.886 11.962 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.851 -14.995 14.103 1.00 0.00 O ATOM 0 H ASP A 59 24.015 -10.650 14.036 1.00 0.00 H new ATOM 0 HA ASP A 59 23.554 -12.773 12.003 1.00 0.00 H new ATOM 0 HB2 ASP A 59 25.939 -12.319 12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.672 -12.481 14.170 1.00 0.00 H new ATOM 849 N LYS A 60 22.174 -14.125 13.584 1.00 0.00 N ATOM 850 CA LYS A 60 21.273 -14.948 14.402 1.00 0.00 C ATOM 851 C LYS A 60 20.476 -14.147 15.444 1.00 0.00 C ATOM 852 O LYS A 60 20.258 -14.627 16.558 1.00 0.00 O ATOM 853 CB LYS A 60 22.036 -16.146 15.006 1.00 0.00 C ATOM 854 CG LYS A 60 22.644 -17.061 13.929 1.00 0.00 C ATOM 855 CD LYS A 60 23.254 -18.346 14.510 1.00 0.00 C ATOM 856 CE LYS A 60 22.205 -19.354 15.010 1.00 0.00 C ATOM 857 NZ LYS A 60 21.488 -20.043 13.906 1.00 0.00 N ATOM 0 H LYS A 60 22.124 -14.366 12.594 1.00 0.00 H new ATOM 0 HA LYS A 60 20.507 -15.345 13.736 1.00 0.00 H new ATOM 0 HB2 LYS A 60 22.830 -15.777 15.655 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.358 -16.727 15.631 1.00 0.00 H new ATOM 0 HG2 LYS A 60 21.872 -17.326 13.207 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.414 -16.513 13.386 1.00 0.00 H new ATOM 0 HD2 LYS A 60 23.870 -18.823 13.747 1.00 0.00 H new ATOM 0 HD3 LYS A 60 23.916 -18.083 15.335 1.00 0.00 H new ATOM 0 HE2 LYS A 60 22.695 -20.098 15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 60 21.481 -18.835 15.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 20.783 -20.696 14.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 21.009 -19.338 13.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 22.169 -20.578 13.330 1.00 0.00 H new ATOM 871 N SER A 61 20.049 -12.929 15.102 1.00 0.00 N ATOM 872 CA SER A 61 19.420 -12.004 16.039 1.00 0.00 C ATOM 873 C SER A 61 17.993 -11.661 15.604 1.00 0.00 C ATOM 874 O SER A 61 17.589 -11.936 14.472 1.00 0.00 O ATOM 875 CB SER A 61 20.289 -10.748 16.173 1.00 0.00 C ATOM 876 OG SER A 61 21.567 -11.071 16.693 1.00 0.00 O ATOM 0 H SER A 61 20.133 -12.556 14.156 1.00 0.00 H new ATOM 0 HA SER A 61 19.344 -12.481 17.016 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.398 -10.271 15.199 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.797 -10.028 16.827 1.00 0.00 H new ATOM 0 HG SER A 61 22.027 -11.678 16.076 1.00 0.00 H new ATOM 882 N GLN A 62 17.237 -11.041 16.508 1.00 0.00 N ATOM 883 CA GLN A 62 15.865 -10.602 16.319 1.00 0.00 C ATOM 884 C GLN A 62 15.815 -9.135 16.743 1.00 0.00 C ATOM 885 O GLN A 62 16.299 -8.786 17.823 1.00 0.00 O ATOM 886 CB GLN A 62 14.920 -11.471 17.159 1.00 0.00 C ATOM 887 CG GLN A 62 14.757 -12.888 16.591 1.00 0.00 C ATOM 888 CD GLN A 62 13.987 -13.801 17.550 1.00 0.00 C ATOM 889 OE1 GLN A 62 14.503 -14.817 18.010 1.00 0.00 O ATOM 890 NE2 GLN A 62 12.751 -13.470 17.889 1.00 0.00 N ATOM 0 H GLN A 62 17.588 -10.822 17.440 1.00 0.00 H new ATOM 0 HA GLN A 62 15.544 -10.701 15.282 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.301 -11.534 18.178 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.943 -10.991 17.213 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.233 -12.839 15.637 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.740 -13.315 16.393 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.326 -12.626 17.505 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.224 -14.059 18.534 1.00 0.00 H new ATOM 899 N VAL A 63 15.250 -8.277 15.899 1.00 0.00 N ATOM 900 CA VAL A 63 15.323 -6.830 16.050 1.00 0.00 C ATOM 901 C VAL A 63 13.930 -6.251 15.804 1.00 0.00 C ATOM 902 O VAL A 63 13.285 -6.613 14.817 1.00 0.00 O ATOM 903 CB VAL A 63 16.347 -6.291 15.028 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.525 -4.775 15.131 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.726 -6.964 15.125 1.00 0.00 C ATOM 0 H VAL A 63 14.721 -8.573 15.079 1.00 0.00 H new ATOM 0 HA VAL A 63 15.645 -6.543 17.051 1.00 0.00 H new ATOM 0 HB VAL A 63 15.918 -6.541 14.057 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.255 -4.443 14.392 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.570 -4.283 14.944 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.877 -4.517 16.130 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.393 -6.535 14.377 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.142 -6.800 16.119 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.622 -8.034 14.947 1.00 0.00 H new ATOM 915 N TYR A 64 13.479 -5.334 16.665 1.00 0.00 N ATOM 916 CA TYR A 64 12.139 -4.760 16.593 1.00 0.00 C ATOM 917 C TYR A 64 12.216 -3.260 16.853 1.00 0.00 C ATOM 918 O TYR A 64 12.756 -2.842 17.876 1.00 0.00 O ATOM 919 CB TYR A 64 11.226 -5.437 17.631 1.00 0.00 C ATOM 920 CG TYR A 64 11.170 -6.951 17.526 1.00 0.00 C ATOM 921 CD1 TYR A 64 12.091 -7.739 18.242 1.00 0.00 C ATOM 922 CD2 TYR A 64 10.228 -7.569 16.684 1.00 0.00 C ATOM 923 CE1 TYR A 64 12.090 -9.135 18.094 1.00 0.00 C ATOM 924 CE2 TYR A 64 10.218 -8.967 16.532 1.00 0.00 C ATOM 925 CZ TYR A 64 11.158 -9.758 17.233 1.00 0.00 C ATOM 926 OH TYR A 64 11.174 -11.114 17.085 1.00 0.00 O ATOM 0 H TYR A 64 14.040 -4.969 17.435 1.00 0.00 H new ATOM 0 HA TYR A 64 11.722 -4.928 15.600 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.569 -5.167 18.630 1.00 0.00 H new ATOM 0 HB3 TYR A 64 10.217 -5.040 17.523 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.800 -7.268 18.907 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.508 -6.966 16.151 1.00 0.00 H new ATOM 0 HE1 TYR A 64 12.803 -9.735 18.640 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.494 -9.436 15.882 1.00 0.00 H new ATOM 0 HH TYR A 64 10.469 -11.383 16.459 1.00 0.00 H new ATOM 936 N LEU A 65 11.651 -2.452 15.955 1.00 0.00 N ATOM 937 CA LEU A 65 11.542 -0.992 16.042 1.00 0.00 C ATOM 938 C LEU A 65 12.799 -0.302 16.605 1.00 0.00 C ATOM 939 O LEU A 65 12.720 0.583 17.458 1.00 0.00 O ATOM 940 CB LEU A 65 10.217 -0.615 16.736 1.00 0.00 C ATOM 941 CG LEU A 65 9.485 0.533 16.012 1.00 0.00 C ATOM 942 CD1 LEU A 65 8.052 0.643 16.540 1.00 0.00 C ATOM 943 CD2 LEU A 65 10.186 1.890 16.122 1.00 0.00 C ATOM 0 H LEU A 65 11.233 -2.817 15.099 1.00 0.00 H new ATOM 0 HA LEU A 65 11.500 -0.587 15.031 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.568 -1.490 16.775 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.419 -0.322 17.766 1.00 0.00 H new ATOM 0 HG LEU A 65 9.489 0.278 14.952 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.537 1.455 16.027 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.525 -0.294 16.359 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.073 0.846 17.611 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.608 2.643 15.586 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.267 2.174 17.171 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.183 1.821 15.687 1.00 0.00 H new ATOM 955 N THR A 66 13.972 -0.735 16.147 1.00 0.00 N ATOM 956 CA THR A 66 15.273 -0.350 16.680 1.00 0.00 C ATOM 957 C THR A 66 16.052 0.434 15.609 1.00 0.00 C ATOM 958 O THR A 66 15.721 0.391 14.420 1.00 0.00 O ATOM 959 CB THR A 66 15.938 -1.647 17.188 1.00 0.00 C ATOM 960 OG1 THR A 66 15.293 -2.036 18.388 1.00 0.00 O ATOM 961 CG2 THR A 66 17.439 -1.610 17.480 1.00 0.00 C ATOM 0 H THR A 66 14.043 -1.387 15.366 1.00 0.00 H new ATOM 0 HA THR A 66 15.222 0.336 17.525 1.00 0.00 H new ATOM 0 HB THR A 66 15.826 -2.341 16.355 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.433 -2.456 18.176 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.766 -2.590 17.828 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.980 -1.349 16.571 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.642 -0.865 18.249 1.00 0.00 H new ATOM 969 N THR A 67 17.081 1.171 16.027 1.00 0.00 N ATOM 970 CA THR A 67 17.877 2.038 15.170 1.00 0.00 C ATOM 971 C THR A 67 19.337 1.585 15.273 1.00 0.00 C ATOM 972 O THR A 67 20.035 1.943 16.226 1.00 0.00 O ATOM 973 CB THR A 67 17.645 3.511 15.554 1.00 0.00 C ATOM 974 OG1 THR A 67 16.259 3.808 15.583 1.00 0.00 O ATOM 975 CG2 THR A 67 18.307 4.466 14.555 1.00 0.00 C ATOM 0 H THR A 67 17.389 1.179 16.999 1.00 0.00 H new ATOM 0 HA THR A 67 17.582 1.962 14.124 1.00 0.00 H new ATOM 0 HB THR A 67 18.087 3.650 16.541 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.131 4.748 15.830 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.122 5.496 14.859 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.381 4.282 14.533 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.890 4.300 13.562 1.00 0.00 H new ATOM 983 N CYS A 68 19.783 0.750 14.330 1.00 0.00 N ATOM 984 CA CYS A 68 21.143 0.228 14.311 1.00 0.00 C ATOM 985 C CYS A 68 22.014 1.157 13.469 1.00 0.00 C ATOM 986 O CYS A 68 21.683 1.425 12.312 1.00 0.00 O ATOM 987 CB CYS A 68 21.158 -1.195 13.736 1.00 0.00 C ATOM 988 SG CYS A 68 22.736 -2.060 13.944 1.00 0.00 S ATOM 0 H CYS A 68 19.205 0.419 13.558 1.00 0.00 H new ATOM 0 HA CYS A 68 21.536 0.184 15.327 1.00 0.00 H new ATOM 0 HB2 CYS A 68 20.371 -1.777 14.215 1.00 0.00 H new ATOM 0 HB3 CYS A 68 20.919 -1.149 12.674 1.00 0.00 H new ATOM 993 N THR A 69 23.144 1.608 14.010 1.00 0.00 N ATOM 994 CA THR A 69 24.077 2.479 13.314 1.00 0.00 C ATOM 995 C THR A 69 25.485 1.939 13.562 1.00 0.00 C ATOM 996 O THR A 69 25.955 1.934 14.703 1.00 0.00 O ATOM 997 CB THR A 69 23.909 3.926 13.823 1.00 0.00 C ATOM 998 OG1 THR A 69 22.545 4.312 13.860 1.00 0.00 O ATOM 999 CG2 THR A 69 24.656 4.925 12.933 1.00 0.00 C ATOM 0 H THR A 69 23.438 1.373 14.958 1.00 0.00 H new ATOM 0 HA THR A 69 23.888 2.495 12.241 1.00 0.00 H new ATOM 0 HB THR A 69 24.325 3.941 14.830 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.474 5.233 14.188 1.00 0.00 H new ATOM 0 HG21 THR A 69 24.516 5.934 13.321 1.00 0.00 H new ATOM 0 HG22 THR A 69 25.719 4.683 12.927 1.00 0.00 H new ATOM 0 HG23 THR A 69 24.266 4.870 11.917 1.00 0.00 H new ATOM 1007 N GLY A 70 26.156 1.466 12.510 1.00 0.00 N ATOM 1008 CA GLY A 70 27.558 1.065 12.560 1.00 0.00 C ATOM 1009 C GLY A 70 27.848 0.020 13.640 1.00 0.00 C ATOM 1010 O GLY A 70 28.929 0.056 14.228 1.00 0.00 O ATOM 0 H GLY A 70 25.733 1.350 11.589 1.00 0.00 H new ATOM 0 HA2 GLY A 70 27.850 0.665 11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.175 1.945 12.740 1.00 0.00 H new ATOM 1014 N SER A 71 26.892 -0.864 13.940 1.00 0.00 N ATOM 1015 CA SER A 71 26.951 -1.760 15.088 1.00 0.00 C ATOM 1016 C SER A 71 26.811 -3.224 14.676 1.00 0.00 C ATOM 1017 O SER A 71 26.369 -3.534 13.568 1.00 0.00 O ATOM 1018 CB SER A 71 25.854 -1.376 16.086 1.00 0.00 C ATOM 1019 OG SER A 71 26.085 -0.086 16.635 1.00 0.00 O ATOM 0 H SER A 71 26.046 -0.975 13.382 1.00 0.00 H new ATOM 0 HA SER A 71 27.929 -1.653 15.556 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.884 -1.394 15.589 1.00 0.00 H new ATOM 0 HB3 SER A 71 25.814 -2.113 16.888 1.00 0.00 H new ATOM 0 HG SER A 71 26.016 0.588 15.927 1.00 0.00 H new ATOM 1025 N GLN A 72 27.154 -4.139 15.582 1.00 0.00 N ATOM 1026 CA GLN A 72 27.041 -5.569 15.356 1.00 0.00 C ATOM 1027 C GLN A 72 26.107 -6.164 16.399 1.00 0.00 C ATOM 1028 O GLN A 72 26.239 -5.860 17.586 1.00 0.00 O ATOM 1029 CB GLN A 72 28.409 -6.262 15.407 1.00 0.00 C ATOM 1030 CG GLN A 72 29.469 -5.592 14.527 1.00 0.00 C ATOM 1031 CD GLN A 72 30.671 -6.514 14.357 1.00 0.00 C ATOM 1032 OE1 GLN A 72 30.737 -7.290 13.404 1.00 0.00 O ATOM 1033 NE2 GLN A 72 31.610 -6.483 15.288 1.00 0.00 N ATOM 0 H GLN A 72 27.522 -3.899 16.503 1.00 0.00 H new ATOM 0 HA GLN A 72 26.635 -5.731 14.357 1.00 0.00 H new ATOM 0 HB2 GLN A 72 28.761 -6.277 16.438 1.00 0.00 H new ATOM 0 HB3 GLN A 72 28.293 -7.300 15.095 1.00 0.00 H new ATOM 0 HG2 GLN A 72 29.044 -5.352 13.552 1.00 0.00 H new ATOM 0 HG3 GLN A 72 29.784 -4.651 14.977 1.00 0.00 H new ATOM 0 HE21 GLN A 72 31.533 -5.831 16.068 1.00 0.00 H new ATOM 0 HE22 GLN A 72 32.411 -7.111 15.225 1.00 0.00 H new ATOM 1042 N TYR A 73 25.210 -7.044 15.963 1.00 0.00 N ATOM 1043 CA TYR A 73 24.321 -7.814 16.818 1.00 0.00 C ATOM 1044 C TYR A 73 24.648 -9.276 16.545 1.00 0.00 C ATOM 1045 O TYR A 73 24.744 -9.666 15.381 1.00 0.00 O ATOM 1046 CB TYR A 73 22.853 -7.544 16.451 1.00 0.00 C ATOM 1047 CG TYR A 73 22.289 -6.138 16.597 1.00 0.00 C ATOM 1048 CD1 TYR A 73 22.922 -5.135 17.360 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.068 -5.846 15.958 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.365 -3.847 17.441 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.493 -4.570 16.050 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.145 -3.559 16.786 1.00 0.00 C ATOM 1053 OH TYR A 73 20.589 -2.322 16.851 1.00 0.00 O ATOM 0 H TYR A 73 25.080 -7.245 14.971 1.00 0.00 H new ATOM 0 HA TYR A 73 24.455 -7.548 17.867 1.00 0.00 H new ATOM 0 HB2 TYR A 73 22.716 -7.844 15.412 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.237 -8.207 17.059 1.00 0.00 H new ATOM 0 HD1 TYR A 73 23.839 -5.358 17.885 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.568 -6.616 15.389 1.00 0.00 H new ATOM 0 HE1 TYR A 73 22.869 -3.076 18.004 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.554 -4.362 15.559 1.00 0.00 H new ATOM 0 HH TYR A 73 21.169 -1.729 17.373 1.00 0.00 H new ATOM 1063 N ASN A 74 24.841 -10.082 17.584 1.00 0.00 N ATOM 1064 CA ASN A 74 25.244 -11.475 17.444 1.00 0.00 C ATOM 1065 C ASN A 74 24.496 -12.325 18.475 1.00 0.00 C ATOM 1066 O ASN A 74 24.843 -12.321 19.657 1.00 0.00 O ATOM 1067 CB ASN A 74 26.767 -11.557 17.642 1.00 0.00 C ATOM 1068 CG ASN A 74 27.253 -12.961 17.990 1.00 0.00 C ATOM 1069 OD1 ASN A 74 26.864 -13.947 17.371 1.00 0.00 O ATOM 1070 ND2 ASN A 74 28.116 -13.076 18.986 1.00 0.00 N ATOM 0 H ASN A 74 24.721 -9.784 18.552 1.00 0.00 H new ATOM 0 HA ASN A 74 24.996 -11.858 16.454 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.264 -11.223 16.731 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.061 -10.870 18.436 1.00 0.00 H new ATOM 0 HD21 ASN A 74 28.469 -13.995 19.251 1.00 0.00 H new ATOM 0 HD22 ASN A 74 28.428 -12.245 19.489 1.00 0.00 H new ATOM 1077 N GLY A 75 23.468 -13.054 18.041 1.00 0.00 N ATOM 1078 CA GLY A 75 22.681 -13.923 18.904 1.00 0.00 C ATOM 1079 C GLY A 75 21.857 -13.147 19.931 1.00 0.00 C ATOM 1080 O GLY A 75 21.858 -13.530 21.104 1.00 0.00 O ATOM 0 H GLY A 75 23.158 -13.055 17.069 1.00 0.00 H new ATOM 0 HA2 GLY A 75 22.013 -14.528 18.291 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.347 -14.611 19.424 1.00 0.00 H new ATOM 1084 N ILE A 76 21.195 -12.049 19.540 1.00 0.00 N ATOM 1085 CA ILE A 76 20.499 -11.166 20.482 1.00 0.00 C ATOM 1086 C ILE A 76 19.024 -10.987 20.109 1.00 0.00 C ATOM 1087 O ILE A 76 18.608 -11.260 18.985 1.00 0.00 O ATOM 1088 CB ILE A 76 21.234 -9.807 20.648 1.00 0.00 C ATOM 1089 CG1 ILE A 76 20.810 -8.735 19.618 1.00 0.00 C ATOM 1090 CG2 ILE A 76 22.766 -9.983 20.643 1.00 0.00 C ATOM 1091 CD1 ILE A 76 21.477 -7.370 19.831 1.00 0.00 C ATOM 0 H ILE A 76 21.128 -11.750 18.567 1.00 0.00 H new ATOM 0 HA ILE A 76 20.518 -11.653 21.457 1.00 0.00 H new ATOM 0 HB ILE A 76 20.924 -9.436 21.625 1.00 0.00 H new ATOM 0 HG12 ILE A 76 21.049 -9.093 18.617 1.00 0.00 H new ATOM 0 HG13 ILE A 76 19.728 -8.611 19.662 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.244 -9.011 20.761 1.00 0.00 H new ATOM 0 HG22 ILE A 76 23.060 -10.635 21.466 1.00 0.00 H new ATOM 0 HG23 ILE A 76 23.078 -10.428 19.698 1.00 0.00 H new ATOM 0 HD11 ILE A 76 21.129 -6.672 19.069 1.00 0.00 H new ATOM 0 HD12 ILE A 76 21.218 -6.988 20.819 1.00 0.00 H new ATOM 0 HD13 ILE A 76 22.559 -7.478 19.757 1.00 0.00 H new ATOM 1103 N TYR A 77 18.257 -10.442 21.046 1.00 0.00 N ATOM 1104 CA TYR A 77 16.895 -9.978 20.886 1.00 0.00 C ATOM 1105 C TYR A 77 16.928 -8.523 21.348 1.00 0.00 C ATOM 1106 O TYR A 77 17.365 -8.253 22.469 1.00 0.00 O ATOM 1107 CB TYR A 77 15.975 -10.854 21.750 1.00 0.00 C ATOM 1108 CG TYR A 77 14.498 -10.515 21.678 1.00 0.00 C ATOM 1109 CD1 TYR A 77 13.982 -9.424 22.406 1.00 0.00 C ATOM 1110 CD2 TYR A 77 13.626 -11.324 20.922 1.00 0.00 C ATOM 1111 CE1 TYR A 77 12.606 -9.136 22.375 1.00 0.00 C ATOM 1112 CE2 TYR A 77 12.248 -11.048 20.895 1.00 0.00 C ATOM 1113 CZ TYR A 77 11.730 -9.949 21.617 1.00 0.00 C ATOM 1114 OH TYR A 77 10.391 -9.695 21.583 1.00 0.00 O ATOM 0 H TYR A 77 18.598 -10.306 21.998 1.00 0.00 H new ATOM 0 HA TYR A 77 16.515 -10.043 19.866 1.00 0.00 H new ATOM 0 HB2 TYR A 77 16.107 -11.894 21.452 1.00 0.00 H new ATOM 0 HB3 TYR A 77 16.298 -10.777 22.788 1.00 0.00 H new ATOM 0 HD1 TYR A 77 14.647 -8.806 22.991 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.018 -12.159 20.361 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.218 -8.295 22.930 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.584 -11.677 20.321 1.00 0.00 H new ATOM 0 HH TYR A 77 9.947 -10.355 21.011 1.00 0.00 H new ATOM 1124 N ILE A 78 16.518 -7.575 20.509 1.00 0.00 N ATOM 1125 CA ILE A 78 16.595 -6.154 20.833 1.00 0.00 C ATOM 1126 C ILE A 78 15.325 -5.459 20.350 1.00 0.00 C ATOM 1127 O ILE A 78 14.878 -5.697 19.223 1.00 0.00 O ATOM 1128 CB ILE A 78 17.912 -5.542 20.295 1.00 0.00 C ATOM 1129 CG1 ILE A 78 17.991 -4.040 20.646 1.00 0.00 C ATOM 1130 CG2 ILE A 78 18.123 -5.777 18.788 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.394 -3.443 20.478 1.00 0.00 C ATOM 0 H ILE A 78 16.124 -7.770 19.588 1.00 0.00 H new ATOM 0 HA ILE A 78 16.637 -6.004 21.912 1.00 0.00 H new ATOM 0 HB ILE A 78 18.728 -6.065 20.793 1.00 0.00 H new ATOM 0 HG12 ILE A 78 17.293 -3.491 20.014 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.666 -3.899 21.677 1.00 0.00 H new ATOM 0 HG21 ILE A 78 19.064 -5.323 18.477 1.00 0.00 H new ATOM 0 HG22 ILE A 78 18.154 -6.848 18.588 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.301 -5.327 18.231 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.374 -2.386 20.742 1.00 0.00 H new ATOM 0 HD12 ILE A 78 20.093 -3.967 21.131 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.714 -3.552 19.442 1.00 0.00 H new ATOM 1143 N ARG A 79 14.732 -4.611 21.199 1.00 0.00 N ATOM 1144 CA ARG A 79 13.501 -3.901 20.862 1.00 0.00 C ATOM 1145 C ARG A 79 13.557 -2.440 21.287 1.00 0.00 C ATOM 1146 O ARG A 79 14.097 -2.116 22.352 1.00 0.00 O ATOM 1147 CB ARG A 79 12.269 -4.627 21.436 1.00 0.00 C ATOM 1148 CG ARG A 79 12.297 -4.772 22.963 1.00 0.00 C ATOM 1149 CD ARG A 79 11.041 -5.456 23.507 1.00 0.00 C ATOM 1150 NE ARG A 79 11.231 -5.739 24.934 1.00 0.00 N ATOM 1151 CZ ARG A 79 10.327 -6.155 25.822 1.00 0.00 C ATOM 1152 NH1 ARG A 79 9.074 -6.418 25.460 1.00 0.00 N ATOM 1153 NH2 ARG A 79 10.717 -6.298 27.083 1.00 0.00 N ATOM 0 H ARG A 79 15.091 -4.402 22.130 1.00 0.00 H new ATOM 0 HA ARG A 79 13.402 -3.904 19.776 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.370 -4.082 21.148 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.200 -5.618 20.987 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.176 -5.347 23.255 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.396 -3.786 23.417 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.171 -4.815 23.363 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.850 -6.380 22.962 1.00 0.00 H new ATOM 0 HE ARG A 79 12.176 -5.600 25.293 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.789 -6.303 24.487 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.398 -6.735 26.155 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.681 -6.092 27.345 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.053 -6.614 27.790 1.00 0.00 H new ATOM 1167 N SER A 80 12.942 -1.578 20.477 1.00 0.00 N ATOM 1168 CA SER A 80 12.712 -0.167 20.760 1.00 0.00 C ATOM 1169 C SER A 80 13.986 0.585 21.186 1.00 0.00 C ATOM 1170 O SER A 80 13.909 1.506 22.002 1.00 0.00 O ATOM 1171 CB SER A 80 11.566 -0.060 21.776 1.00 0.00 C ATOM 1172 OG SER A 80 10.427 -0.787 21.333 1.00 0.00 O ATOM 0 H SER A 80 12.576 -1.859 19.567 1.00 0.00 H new ATOM 0 HA SER A 80 12.417 0.339 19.841 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.894 -0.443 22.742 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.300 0.987 21.922 1.00 0.00 H new ATOM 0 HG SER A 80 9.710 -0.707 21.996 1.00 0.00 H new ATOM 1178 N SER A 81 15.154 0.198 20.663 1.00 0.00 N ATOM 1179 CA SER A 81 16.454 0.673 21.137 1.00 0.00 C ATOM 1180 C SER A 81 17.238 1.387 20.027 1.00 0.00 C ATOM 1181 O SER A 81 16.820 1.406 18.868 1.00 0.00 O ATOM 1182 CB SER A 81 17.226 -0.525 21.704 1.00 0.00 C ATOM 1183 OG SER A 81 16.568 -1.060 22.841 1.00 0.00 O ATOM 0 H SER A 81 15.222 -0.462 19.889 1.00 0.00 H new ATOM 0 HA SER A 81 16.309 1.415 21.922 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.323 -1.295 20.939 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.236 -0.217 21.975 1.00 0.00 H new ATOM 0 HG SER A 81 15.707 -1.442 22.571 1.00 0.00 H new ATOM 1189 N THR A 82 18.390 1.966 20.365 1.00 0.00 N ATOM 1190 CA THR A 82 19.298 2.623 19.431 1.00 0.00 C ATOM 1191 C THR A 82 20.722 2.204 19.797 1.00 0.00 C ATOM 1192 O THR A 82 21.065 2.165 20.982 1.00 0.00 O ATOM 1193 CB THR A 82 19.105 4.150 19.519 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.769 4.505 19.210 1.00 0.00 O ATOM 1195 CG2 THR A 82 20.025 4.927 18.570 1.00 0.00 C ATOM 0 H THR A 82 18.726 1.990 21.328 1.00 0.00 H new ATOM 0 HA THR A 82 19.096 2.330 18.401 1.00 0.00 H new ATOM 0 HB THR A 82 19.355 4.418 20.546 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.666 5.478 19.273 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.841 5.996 18.679 1.00 0.00 H new ATOM 0 HG22 THR A 82 21.065 4.711 18.814 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.824 4.627 17.542 1.00 0.00 H new ATOM 1203 N THR A 83 21.558 1.895 18.807 1.00 0.00 N ATOM 1204 CA THR A 83 22.904 1.385 19.033 1.00 0.00 C ATOM 1205 C THR A 83 23.841 2.041 18.015 1.00 0.00 C ATOM 1206 O THR A 83 23.546 2.021 16.816 1.00 0.00 O ATOM 1207 CB THR A 83 22.892 -0.151 18.931 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.399 -0.558 17.674 1.00 0.00 O ATOM 1209 CG2 THR A 83 22.015 -0.823 19.995 1.00 0.00 C ATOM 0 H THR A 83 21.316 1.993 17.821 1.00 0.00 H new ATOM 0 HA THR A 83 23.264 1.632 20.032 1.00 0.00 H new ATOM 0 HB THR A 83 23.927 -0.458 19.080 1.00 0.00 H new ATOM 0 HG1 THR A 83 23.015 -1.208 17.276 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.051 -1.905 19.866 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.383 -0.563 20.987 1.00 0.00 H new ATOM 0 HG23 THR A 83 20.986 -0.479 19.889 1.00 0.00 H new ATOM 1217 N THR A 84 24.950 2.620 18.478 1.00 0.00 N ATOM 1218 CA THR A 84 25.822 3.461 17.667 1.00 0.00 C ATOM 1219 C THR A 84 27.277 3.040 17.888 1.00 0.00 C ATOM 1220 O THR A 84 27.847 3.273 18.957 1.00 0.00 O ATOM 1221 CB THR A 84 25.577 4.943 18.014 1.00 0.00 C ATOM 1222 OG1 THR A 84 24.191 5.245 18.050 1.00 0.00 O ATOM 1223 CG2 THR A 84 26.229 5.874 16.985 1.00 0.00 C ATOM 0 H THR A 84 25.269 2.514 19.441 1.00 0.00 H new ATOM 0 HA THR A 84 25.600 3.336 16.607 1.00 0.00 H new ATOM 0 HB THR A 84 26.020 5.102 18.997 1.00 0.00 H new ATOM 0 HG1 THR A 84 24.068 6.191 18.274 1.00 0.00 H new ATOM 0 HG21 THR A 84 26.037 6.911 17.260 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.304 5.697 16.964 1.00 0.00 H new ATOM 0 HG23 THR A 84 25.810 5.676 15.998 1.00 0.00 H new ATOM 1231 N GLY A 85 27.893 2.413 16.884 1.00 0.00 N ATOM 1232 CA GLY A 85 29.286 1.992 16.959 1.00 0.00 C ATOM 1233 C GLY A 85 29.512 0.915 18.017 1.00 0.00 C ATOM 1234 O GLY A 85 30.507 0.988 18.737 1.00 0.00 O ATOM 0 H GLY A 85 27.438 2.185 16.000 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.601 1.614 15.986 1.00 0.00 H new ATOM 0 HA3 GLY A 85 29.912 2.855 17.184 1.00 0.00 H new ATOM 1238 N THR A 86 28.613 -0.061 18.150 1.00 0.00 N ATOM 1239 CA THR A 86 28.641 -1.059 19.220 1.00 0.00 C ATOM 1240 C THR A 86 28.857 -2.472 18.664 1.00 0.00 C ATOM 1241 O THR A 86 28.762 -2.711 17.461 1.00 0.00 O ATOM 1242 CB THR A 86 27.328 -0.994 20.028 1.00 0.00 C ATOM 1243 OG1 THR A 86 26.204 -1.286 19.231 1.00 0.00 O ATOM 1244 CG2 THR A 86 27.057 0.361 20.679 1.00 0.00 C ATOM 0 H THR A 86 27.831 -0.182 17.506 1.00 0.00 H new ATOM 0 HA THR A 86 29.481 -0.832 19.877 1.00 0.00 H new ATOM 0 HB THR A 86 27.474 -1.743 20.807 1.00 0.00 H new ATOM 0 HG1 THR A 86 26.207 -0.710 18.438 1.00 0.00 H new ATOM 0 HG21 THR A 86 26.115 0.320 21.227 1.00 0.00 H new ATOM 0 HG22 THR A 86 27.867 0.602 21.367 1.00 0.00 H new ATOM 0 HG23 THR A 86 26.995 1.129 19.908 1.00 0.00 H new ATOM 1252 N SER A 87 29.160 -3.430 19.530 1.00 0.00 N ATOM 1253 CA SER A 87 29.166 -4.848 19.220 1.00 0.00 C ATOM 1254 C SER A 87 28.497 -5.499 20.428 1.00 0.00 C ATOM 1255 O SER A 87 28.901 -5.261 21.570 1.00 0.00 O ATOM 1256 CB SER A 87 30.590 -5.320 18.916 1.00 0.00 C ATOM 1257 OG SER A 87 30.973 -4.835 17.638 1.00 0.00 O ATOM 0 H SER A 87 29.416 -3.232 20.497 1.00 0.00 H new ATOM 0 HA SER A 87 28.619 -5.119 18.317 1.00 0.00 H new ATOM 0 HB2 SER A 87 31.278 -4.956 19.679 1.00 0.00 H new ATOM 0 HB3 SER A 87 30.638 -6.409 18.936 1.00 0.00 H new ATOM 0 HG SER A 87 30.290 -4.216 17.305 1.00 0.00 H new ATOM 1263 N ILE A 88 27.427 -6.253 20.181 1.00 0.00 N ATOM 1264 CA ILE A 88 26.522 -6.756 21.202 1.00 0.00 C ATOM 1265 C ILE A 88 26.338 -8.252 20.961 1.00 0.00 C ATOM 1266 O ILE A 88 25.974 -8.665 19.854 1.00 0.00 O ATOM 1267 CB ILE A 88 25.187 -5.970 21.114 1.00 0.00 C ATOM 1268 CG1 ILE A 88 25.412 -4.437 21.193 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.217 -6.431 22.208 1.00 0.00 C ATOM 1270 CD1 ILE A 88 24.129 -3.600 21.218 1.00 0.00 C ATOM 0 H ILE A 88 27.162 -6.536 19.238 1.00 0.00 H new ATOM 0 HA ILE A 88 26.916 -6.616 22.209 1.00 0.00 H new ATOM 0 HB ILE A 88 24.745 -6.184 20.141 1.00 0.00 H new ATOM 0 HG12 ILE A 88 25.992 -4.215 22.089 1.00 0.00 H new ATOM 0 HG13 ILE A 88 26.014 -4.128 20.339 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.287 -5.868 22.130 1.00 0.00 H new ATOM 0 HG22 ILE A 88 24.010 -7.494 22.086 1.00 0.00 H new ATOM 0 HG23 ILE A 88 24.664 -6.259 23.187 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.386 -2.542 21.274 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.555 -3.787 20.310 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.532 -3.875 22.088 1.00 0.00 H new ATOM 1282 N SER A 89 26.586 -9.052 21.999 1.00 0.00 N ATOM 1283 CA SER A 89 26.548 -10.508 21.950 1.00 0.00 C ATOM 1284 C SER A 89 25.908 -11.075 23.221 1.00 0.00 C ATOM 1285 O SER A 89 25.755 -10.366 24.217 1.00 0.00 O ATOM 1286 CB SER A 89 27.975 -11.057 21.789 1.00 0.00 C ATOM 1287 OG SER A 89 28.565 -10.648 20.566 1.00 0.00 O ATOM 0 H SER A 89 26.825 -8.691 22.922 1.00 0.00 H new ATOM 0 HA SER A 89 25.944 -10.814 21.096 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.591 -10.716 22.621 1.00 0.00 H new ATOM 0 HB3 SER A 89 27.952 -12.146 21.835 1.00 0.00 H new ATOM 0 HG SER A 89 29.482 -10.989 20.515 1.00 0.00 H new ATOM 1321 N CYS A 93 21.169 -12.763 24.494 1.00 0.00 N ATOM 1322 CA CYS A 93 21.114 -11.381 24.944 1.00 0.00 C ATOM 1323 C CYS A 93 19.725 -10.826 24.655 1.00 0.00 C ATOM 1324 O CYS A 93 19.146 -11.114 23.607 1.00 0.00 O ATOM 1325 CB CYS A 93 22.199 -10.582 24.209 1.00 0.00 C ATOM 1326 SG CYS A 93 21.992 -8.782 24.212 1.00 0.00 S ATOM 0 HA CYS A 93 21.297 -11.309 26.016 1.00 0.00 H new ATOM 0 HB2 CYS A 93 23.164 -10.818 24.657 1.00 0.00 H new ATOM 0 HB3 CYS A 93 22.236 -10.923 23.174 1.00 0.00 H new ATOM 1331 N SER A 94 19.226 -9.995 25.561 1.00 0.00 N ATOM 1332 CA SER A 94 17.921 -9.372 25.496 1.00 0.00 C ATOM 1333 C SER A 94 18.109 -7.904 25.877 1.00 0.00 C ATOM 1334 O SER A 94 18.735 -7.624 26.902 1.00 0.00 O ATOM 1335 CB SER A 94 17.010 -10.100 26.485 1.00 0.00 C ATOM 1336 OG SER A 94 16.765 -11.437 26.073 1.00 0.00 O ATOM 0 H SER A 94 19.747 -9.729 26.396 1.00 0.00 H new ATOM 0 HA SER A 94 17.470 -9.429 24.505 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.469 -10.100 27.473 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.064 -9.565 26.573 1.00 0.00 H new ATOM 0 HG SER A 94 16.181 -11.878 26.725 1.00 0.00 H new ATOM 1342 N ILE A 95 17.602 -6.976 25.062 1.00 0.00 N ATOM 1343 CA ILE A 95 17.742 -5.533 25.253 1.00 0.00 C ATOM 1344 C ILE A 95 16.387 -4.894 24.942 1.00 0.00 C ATOM 1345 O ILE A 95 15.763 -5.216 23.926 1.00 0.00 O ATOM 1346 CB ILE A 95 18.873 -4.969 24.351 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.231 -5.610 24.713 1.00 0.00 C ATOM 1348 CG2 ILE A 95 18.965 -3.433 24.444 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.444 -5.040 23.970 1.00 0.00 C ATOM 0 H ILE A 95 17.067 -7.216 24.227 1.00 0.00 H new ATOM 0 HA ILE A 95 18.026 -5.302 26.280 1.00 0.00 H new ATOM 0 HB ILE A 95 18.625 -5.226 23.321 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.395 -5.494 25.784 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.174 -6.680 24.513 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.768 -3.077 23.799 1.00 0.00 H new ATOM 0 HG22 ILE A 95 18.021 -2.992 24.125 1.00 0.00 H new ATOM 0 HG23 ILE A 95 19.172 -3.143 25.474 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.346 -5.557 24.296 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.313 -5.181 22.897 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.537 -3.976 24.188 1.00 0.00 H new ATOM 1361 N SER A 96 15.954 -3.959 25.787 1.00 0.00 N ATOM 1362 CA SER A 96 14.715 -3.219 25.600 1.00 0.00 C ATOM 1363 C SER A 96 14.958 -1.747 25.914 1.00 0.00 C ATOM 1364 O SER A 96 15.569 -1.436 26.939 1.00 0.00 O ATOM 1365 CB SER A 96 13.624 -3.763 26.534 1.00 0.00 C ATOM 1366 OG SER A 96 13.529 -5.181 26.495 1.00 0.00 O ATOM 0 H SER A 96 16.463 -3.694 26.630 1.00 0.00 H new ATOM 0 HA SER A 96 14.386 -3.332 24.567 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.833 -3.444 27.555 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.663 -3.330 26.255 1.00 0.00 H new ATOM 0 HG SER A 96 13.700 -5.545 27.389 1.00 0.00 H new ATOM 1372 N THR A 97 14.436 -0.862 25.059 1.00 0.00 N ATOM 1373 CA THR A 97 14.370 0.583 25.295 1.00 0.00 C ATOM 1374 C THR A 97 15.700 1.215 25.763 1.00 0.00 C ATOM 1375 O THR A 97 15.709 2.108 26.615 1.00 0.00 O ATOM 1376 CB THR A 97 13.124 0.922 26.160 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.836 -0.037 27.164 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.862 0.986 25.292 1.00 0.00 C ATOM 0 H THR A 97 14.038 -1.138 24.161 1.00 0.00 H new ATOM 0 HA THR A 97 14.227 1.077 24.334 1.00 0.00 H new ATOM 0 HB THR A 97 13.375 1.876 26.624 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.122 0.306 28.036 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.002 1.225 25.918 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.982 1.757 24.531 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.703 0.022 24.809 1.00 0.00 H new ATOM 1386 N CYS A 98 16.832 0.774 25.202 1.00 0.00 N ATOM 1387 CA CYS A 98 18.163 1.284 25.528 1.00 0.00 C ATOM 1388 C CYS A 98 18.700 2.183 24.416 1.00 0.00 C ATOM 1389 O CYS A 98 18.298 2.074 23.257 1.00 0.00 O ATOM 1390 CB CYS A 98 19.136 0.109 25.697 1.00 0.00 C ATOM 1391 SG CYS A 98 18.873 -0.932 27.150 1.00 0.00 S ATOM 0 H CYS A 98 16.846 0.038 24.495 1.00 0.00 H new ATOM 0 HA CYS A 98 18.081 1.860 26.450 1.00 0.00 H new ATOM 0 HB2 CYS A 98 19.074 -0.519 24.808 1.00 0.00 H new ATOM 0 HB3 CYS A 98 20.150 0.506 25.737 1.00 0.00 H new ATOM 1396 N THR A 99 19.684 3.009 24.758 1.00 0.00 N ATOM 1397 CA THR A 99 20.482 3.776 23.818 1.00 0.00 C ATOM 1398 C THR A 99 21.922 3.420 24.187 1.00 0.00 C ATOM 1399 O THR A 99 22.273 3.444 25.368 1.00 0.00 O ATOM 1400 CB THR A 99 20.156 5.272 23.941 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.778 5.495 23.698 1.00 0.00 O ATOM 1402 CG2 THR A 99 20.955 6.121 22.946 1.00 0.00 C ATOM 0 H THR A 99 19.954 3.165 25.729 1.00 0.00 H new ATOM 0 HA THR A 99 20.287 3.546 22.771 1.00 0.00 H new ATOM 0 HB THR A 99 20.425 5.568 24.955 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.582 6.452 23.781 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.691 7.171 23.070 1.00 0.00 H new ATOM 0 HG22 THR A 99 22.021 5.990 23.130 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.721 5.806 21.929 1.00 0.00 H new ATOM 1410 N ILE A 100 22.739 3.001 23.220 1.00 0.00 N ATOM 1411 CA ILE A 100 24.057 2.436 23.492 1.00 0.00 C ATOM 1412 C ILE A 100 25.018 3.035 22.472 1.00 0.00 C ATOM 1413 O ILE A 100 24.721 3.043 21.277 1.00 0.00 O ATOM 1414 CB ILE A 100 24.022 0.882 23.446 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.799 0.285 24.192 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.329 0.305 24.029 1.00 0.00 C ATOM 1417 CD1 ILE A 100 22.747 -1.246 24.252 1.00 0.00 C ATOM 0 H ILE A 100 22.504 3.044 22.228 1.00 0.00 H new ATOM 0 HA ILE A 100 24.392 2.685 24.499 1.00 0.00 H new ATOM 0 HB ILE A 100 23.926 0.598 22.398 1.00 0.00 H new ATOM 0 HG12 ILE A 100 22.792 0.672 25.211 1.00 0.00 H new ATOM 0 HG13 ILE A 100 21.890 0.644 23.709 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.294 -0.784 23.992 1.00 0.00 H new ATOM 0 HG22 ILE A 100 26.177 0.661 23.444 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.440 0.630 25.064 1.00 0.00 H new ATOM 0 HD11 ILE A 100 21.855 -1.559 24.794 1.00 0.00 H new ATOM 0 HD12 ILE A 100 22.717 -1.649 23.240 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.633 -1.620 24.765 1.00 0.00 H new ATOM 1429 N THR A 101 26.173 3.516 22.930 1.00 0.00 N ATOM 1430 CA THR A 101 27.193 4.113 22.082 1.00 0.00 C ATOM 1431 C THR A 101 28.537 3.520 22.496 1.00 0.00 C ATOM 1432 O THR A 101 28.876 3.548 23.679 1.00 0.00 O ATOM 1433 CB THR A 101 27.155 5.648 22.214 1.00 0.00 C ATOM 1434 OG1 THR A 101 25.850 6.142 21.968 1.00 0.00 O ATOM 1435 CG2 THR A 101 28.105 6.337 21.227 1.00 0.00 C ATOM 0 H THR A 101 26.426 3.499 23.918 1.00 0.00 H new ATOM 0 HA THR A 101 27.020 3.892 21.029 1.00 0.00 H new ATOM 0 HB THR A 101 27.468 5.872 23.234 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.847 7.118 22.058 1.00 0.00 H new ATOM 0 HG21 THR A 101 28.044 7.417 21.357 1.00 0.00 H new ATOM 0 HG22 THR A 101 29.127 6.006 21.414 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.821 6.078 20.207 1.00 0.00 H new ATOM 1443 N ARG A 102 29.287 2.962 21.535 1.00 0.00 N ATOM 1444 CA ARG A 102 30.618 2.358 21.725 1.00 0.00 C ATOM 1445 C ARG A 102 30.748 1.550 23.030 1.00 0.00 C ATOM 1446 O ARG A 102 31.702 1.718 23.789 1.00 0.00 O ATOM 1447 CB ARG A 102 31.709 3.435 21.563 1.00 0.00 C ATOM 1448 CG ARG A 102 31.642 4.103 20.175 1.00 0.00 C ATOM 1449 CD ARG A 102 32.934 4.819 19.746 1.00 0.00 C ATOM 1450 NE ARG A 102 34.140 3.961 19.746 1.00 0.00 N ATOM 1451 CZ ARG A 102 34.368 2.859 19.014 1.00 0.00 C ATOM 1452 NH1 ARG A 102 33.460 2.350 18.192 1.00 0.00 N ATOM 1453 NH2 ARG A 102 35.521 2.211 19.100 1.00 0.00 N ATOM 0 H ARG A 102 28.973 2.916 20.566 1.00 0.00 H new ATOM 0 HA ARG A 102 30.760 1.613 20.942 1.00 0.00 H new ATOM 0 HB2 ARG A 102 31.592 4.192 22.338 1.00 0.00 H new ATOM 0 HB3 ARG A 102 32.691 2.984 21.704 1.00 0.00 H new ATOM 0 HG2 ARG A 102 31.399 3.343 19.432 1.00 0.00 H new ATOM 0 HG3 ARG A 102 30.825 4.824 20.172 1.00 0.00 H new ATOM 0 HD2 ARG A 102 32.793 5.226 18.745 1.00 0.00 H new ATOM 0 HD3 ARG A 102 33.105 5.664 20.413 1.00 0.00 H new ATOM 0 HE ARG A 102 34.889 4.241 20.379 1.00 0.00 H new ATOM 0 HH11 ARG A 102 32.548 2.798 18.099 1.00 0.00 H new ATOM 0 HH12 ARG A 102 33.673 1.511 17.653 1.00 0.00 H new ATOM 0 HH21 ARG A 102 36.250 2.548 19.729 1.00 0.00 H new ATOM 0 HH22 ARG A 102 35.679 1.375 18.537 1.00 0.00 H new ATOM 1467 N GLY A 103 29.774 0.676 23.299 1.00 0.00 N ATOM 1468 CA GLY A 103 29.811 -0.266 24.412 1.00 0.00 C ATOM 1469 C GLY A 103 29.226 0.283 25.717 1.00 0.00 C ATOM 1470 O GLY A 103 29.148 -0.469 26.688 1.00 0.00 O ATOM 0 H GLY A 103 28.925 0.605 22.738 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.263 -1.165 24.131 1.00 0.00 H new ATOM 0 HA3 GLY A 103 30.845 -0.564 24.587 1.00 0.00 H new ATOM 1474 N VAL A 104 28.796 1.548 25.762 1.00 0.00 N ATOM 1475 CA VAL A 104 28.267 2.186 26.966 1.00 0.00 C ATOM 1476 C VAL A 104 26.774 2.437 26.737 1.00 0.00 C ATOM 1477 O VAL A 104 26.402 3.171 25.818 1.00 0.00 O ATOM 1478 CB VAL A 104 29.060 3.480 27.266 1.00 0.00 C ATOM 1479 CG1 VAL A 104 28.596 4.125 28.581 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.573 3.213 27.372 1.00 0.00 C ATOM 0 H VAL A 104 28.807 2.164 24.949 1.00 0.00 H new ATOM 0 HA VAL A 104 28.380 1.551 27.844 1.00 0.00 H new ATOM 0 HB VAL A 104 28.868 4.154 26.431 1.00 0.00 H new ATOM 0 HG11 VAL A 104 29.172 5.032 28.764 1.00 0.00 H new ATOM 0 HG12 VAL A 104 27.538 4.375 28.510 1.00 0.00 H new ATOM 0 HG13 VAL A 104 28.749 3.426 29.403 1.00 0.00 H new ATOM 0 HG21 VAL A 104 31.093 4.147 27.583 1.00 0.00 H new ATOM 0 HG22 VAL A 104 30.762 2.502 28.177 1.00 0.00 H new ATOM 0 HG23 VAL A 104 30.936 2.800 26.431 1.00 0.00 H new ATOM 1490 N ALA A 105 25.918 1.799 27.542 1.00 0.00 N ATOM 1491 CA ALA A 105 24.479 2.044 27.539 1.00 0.00 C ATOM 1492 C ALA A 105 24.157 3.281 28.385 1.00 0.00 C ATOM 1493 O ALA A 105 24.869 3.583 29.347 1.00 0.00 O ATOM 1494 CB ALA A 105 23.743 0.815 28.087 1.00 0.00 C ATOM 0 H ALA A 105 26.210 1.093 28.218 1.00 0.00 H new ATOM 0 HA ALA A 105 24.147 2.226 26.517 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.669 1.002 28.083 1.00 0.00 H new ATOM 0 HB2 ALA A 105 23.963 -0.050 27.461 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.073 0.618 29.107 1.00 0.00 H new ATOM 1548 N ALA A 110 14.660 3.250 31.674 1.00 0.00 N ATOM 1549 CA ALA A 110 13.976 2.634 30.542 1.00 0.00 C ATOM 1550 C ALA A 110 14.826 1.533 29.897 1.00 0.00 C ATOM 1551 O ALA A 110 14.267 0.593 29.336 1.00 0.00 O ATOM 1552 CB ALA A 110 13.636 3.709 29.503 1.00 0.00 C ATOM 0 HA ALA A 110 13.061 2.171 30.910 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.125 3.249 28.657 1.00 0.00 H new ATOM 0 HB2 ALA A 110 12.987 4.459 29.955 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.554 4.184 29.157 1.00 0.00 H new ATOM 1558 N CYS A 111 16.157 1.623 29.981 1.00 0.00 N ATOM 1559 CA CYS A 111 17.044 0.634 29.393 1.00 0.00 C ATOM 1560 C CYS A 111 16.989 -0.641 30.233 1.00 0.00 C ATOM 1561 O CYS A 111 17.361 -0.621 31.410 1.00 0.00 O ATOM 1562 CB CYS A 111 18.466 1.206 29.315 1.00 0.00 C ATOM 1563 SG CYS A 111 19.739 0.073 28.696 1.00 0.00 S ATOM 0 H CYS A 111 16.641 2.383 30.458 1.00 0.00 H new ATOM 0 HA CYS A 111 16.730 0.388 28.379 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.448 2.088 28.674 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.758 1.541 30.310 1.00 0.00 H new ATOM 1568 N LYS A 112 16.551 -1.752 29.633 1.00 0.00 N ATOM 1569 CA LYS A 112 16.626 -3.087 30.225 1.00 0.00 C ATOM 1570 C LYS A 112 17.629 -3.894 29.420 1.00 0.00 C ATOM 1571 O LYS A 112 17.653 -3.804 28.191 1.00 0.00 O ATOM 1572 CB LYS A 112 15.276 -3.829 30.202 1.00 0.00 C ATOM 1573 CG LYS A 112 14.032 -2.975 30.446 1.00 0.00 C ATOM 1574 CD LYS A 112 13.989 -2.264 31.803 1.00 0.00 C ATOM 1575 CE LYS A 112 12.759 -1.351 31.808 1.00 0.00 C ATOM 1576 NZ LYS A 112 12.605 -0.615 33.085 1.00 0.00 N ATOM 0 H LYS A 112 16.127 -1.746 28.705 1.00 0.00 H new ATOM 0 HA LYS A 112 16.919 -2.977 31.269 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.171 -4.319 29.234 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.305 -4.616 30.956 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.964 -2.225 29.658 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.151 -3.610 30.358 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.930 -2.990 32.614 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.898 -1.683 31.960 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.837 -0.637 30.988 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.866 -1.949 31.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.759 -0.012 33.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.503 -1.293 33.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.444 -0.023 33.248 1.00 0.00 H new ATOM 1590 N ILE A 113 18.398 -4.726 30.110 1.00 0.00 N ATOM 1591 CA ILE A 113 19.358 -5.657 29.524 1.00 0.00 C ATOM 1592 C ILE A 113 19.296 -6.925 30.377 1.00 0.00 C ATOM 1593 O ILE A 113 19.268 -6.833 31.609 1.00 0.00 O ATOM 1594 CB ILE A 113 20.792 -5.054 29.480 1.00 0.00 C ATOM 1595 CG1 ILE A 113 20.841 -3.805 28.572 1.00 0.00 C ATOM 1596 CG2 ILE A 113 21.809 -6.095 28.971 1.00 0.00 C ATOM 1597 CD1 ILE A 113 22.209 -3.125 28.431 1.00 0.00 C ATOM 0 H ILE A 113 18.371 -4.774 31.128 1.00 0.00 H new ATOM 0 HA ILE A 113 19.109 -5.876 28.486 1.00 0.00 H new ATOM 0 HB ILE A 113 21.055 -4.763 30.497 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.496 -4.090 27.578 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.132 -3.072 28.958 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.804 -5.651 28.949 1.00 0.00 H new ATOM 0 HG22 ILE A 113 21.811 -6.957 29.638 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.531 -6.414 27.966 1.00 0.00 H new ATOM 0 HD11 ILE A 113 22.120 -2.262 27.771 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.556 -2.798 29.411 1.00 0.00 H new ATOM 0 HD13 ILE A 113 22.925 -3.831 28.010 1.00 0.00 H new ATOM 1609 N SER A 114 19.334 -8.089 29.726 1.00 0.00 N ATOM 1610 CA SER A 114 19.475 -9.390 30.365 1.00 0.00 C ATOM 1611 C SER A 114 20.364 -10.270 29.482 1.00 0.00 C ATOM 1612 O SER A 114 20.304 -10.181 28.252 1.00 0.00 O ATOM 1613 CB SER A 114 18.096 -10.045 30.562 1.00 0.00 C ATOM 1614 OG SER A 114 17.190 -9.197 31.255 1.00 0.00 O ATOM 0 H SER A 114 19.265 -8.150 28.710 1.00 0.00 H new ATOM 0 HA SER A 114 19.931 -9.272 31.348 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.677 -10.303 29.590 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.214 -10.976 31.116 1.00 0.00 H new ATOM 0 HG SER A 114 16.328 -9.652 31.356 1.00 0.00 H new ATOM 1620 N GLY A 115 21.181 -11.121 30.112 1.00 0.00 N ATOM 1621 CA GLY A 115 21.978 -12.154 29.454 1.00 0.00 C ATOM 1622 C GLY A 115 22.915 -11.638 28.360 1.00 0.00 C ATOM 1623 O GLY A 115 23.203 -12.387 27.424 1.00 0.00 O ATOM 0 H GLY A 115 21.307 -11.107 31.124 1.00 0.00 H new ATOM 0 HA2 GLY A 115 22.572 -12.671 30.208 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.304 -12.891 29.018 1.00 0.00 H new ATOM 1627 N CYS A 116 23.365 -10.379 28.434 1.00 0.00 N ATOM 1628 CA CYS A 116 24.081 -9.730 27.343 1.00 0.00 C ATOM 1629 C CYS A 116 25.495 -9.309 27.742 1.00 0.00 C ATOM 1630 O CYS A 116 25.799 -9.141 28.927 1.00 0.00 O ATOM 1631 CB CYS A 116 23.283 -8.501 26.899 1.00 0.00 C ATOM 1632 SG CYS A 116 23.602 -8.036 25.189 1.00 0.00 S ATOM 0 H CYS A 116 23.240 -9.787 29.255 1.00 0.00 H new ATOM 0 HA CYS A 116 24.180 -10.447 26.528 1.00 0.00 H new ATOM 0 HB2 CYS A 116 22.219 -8.701 27.023 1.00 0.00 H new ATOM 0 HB3 CYS A 116 23.527 -7.661 27.550 1.00 0.00 H new ATOM 1637 N SER A 117 26.318 -9.059 26.725 1.00 0.00 N ATOM 1638 CA SER A 117 27.634 -8.452 26.812 1.00 0.00 C ATOM 1639 C SER A 117 27.691 -7.335 25.764 1.00 0.00 C ATOM 1640 O SER A 117 27.173 -7.494 24.653 1.00 0.00 O ATOM 1641 CB SER A 117 28.711 -9.516 26.557 1.00 0.00 C ATOM 1642 OG SER A 117 28.595 -10.597 27.474 1.00 0.00 O ATOM 0 H SER A 117 26.064 -9.290 25.765 1.00 0.00 H new ATOM 0 HA SER A 117 27.817 -8.036 27.803 1.00 0.00 H new ATOM 0 HB2 SER A 117 28.622 -9.890 25.537 1.00 0.00 H new ATOM 0 HB3 SER A 117 29.699 -9.065 26.646 1.00 0.00 H new ATOM 0 HG SER A 117 29.292 -11.260 27.288 1.00 0.00 H new ATOM 1648 N LEU A 118 28.323 -6.213 26.117 1.00 0.00 N ATOM 1649 CA LEU A 118 28.460 -5.034 25.265 1.00 0.00 C ATOM 1650 C LEU A 118 29.946 -4.796 25.018 1.00 0.00 C ATOM 1651 O LEU A 118 30.778 -5.094 25.881 1.00 0.00 O ATOM 1652 CB LEU A 118 27.867 -3.780 25.944 1.00 0.00 C ATOM 1653 CG LEU A 118 26.378 -3.832 26.335 1.00 0.00 C ATOM 1654 CD1 LEU A 118 25.970 -2.495 26.966 1.00 0.00 C ATOM 1655 CD2 LEU A 118 25.473 -4.123 25.137 1.00 0.00 C ATOM 0 H LEU A 118 28.765 -6.099 27.029 1.00 0.00 H new ATOM 0 HA LEU A 118 27.922 -5.208 24.333 1.00 0.00 H new ATOM 0 HB2 LEU A 118 28.446 -3.577 26.845 1.00 0.00 H new ATOM 0 HB3 LEU A 118 28.012 -2.932 25.274 1.00 0.00 H new ATOM 0 HG LEU A 118 26.254 -4.647 27.048 1.00 0.00 H new ATOM 0 HD11 LEU A 118 24.916 -2.530 27.243 1.00 0.00 H new ATOM 0 HD12 LEU A 118 26.573 -2.313 27.855 1.00 0.00 H new ATOM 0 HD13 LEU A 118 26.130 -1.690 26.248 1.00 0.00 H new ATOM 0 HD21 LEU A 118 24.434 -4.150 25.464 1.00 0.00 H new ATOM 0 HD22 LEU A 118 25.598 -3.341 24.388 1.00 0.00 H new ATOM 0 HD23 LEU A 118 25.742 -5.086 24.704 1.00 0.00 H new ATOM 1667 N SER A 119 30.275 -4.215 23.867 1.00 0.00 N ATOM 1668 CA SER A 119 31.630 -3.827 23.506 1.00 0.00 C ATOM 1669 C SER A 119 31.574 -2.676 22.499 1.00 0.00 C ATOM 1670 O SER A 119 30.538 -2.436 21.866 1.00 0.00 O ATOM 1671 CB SER A 119 32.389 -5.057 22.975 1.00 0.00 C ATOM 1672 OG SER A 119 31.638 -5.816 22.041 1.00 0.00 O ATOM 0 H SER A 119 29.589 -3.997 23.145 1.00 0.00 H new ATOM 0 HA SER A 119 32.178 -3.466 24.376 1.00 0.00 H new ATOM 0 HB2 SER A 119 33.316 -4.729 22.505 1.00 0.00 H new ATOM 0 HB3 SER A 119 32.665 -5.696 23.814 1.00 0.00 H new ATOM 0 HG SER A 119 30.769 -5.388 21.895 1.00 0.00 H new ATOM 1678 N ALA A 120 32.678 -1.940 22.370 1.00 0.00 N ATOM 1679 CA ALA A 120 32.832 -0.941 21.326 1.00 0.00 C ATOM 1680 C ALA A 120 33.117 -1.640 19.995 1.00 0.00 C ATOM 1681 O ALA A 120 33.834 -2.645 19.957 1.00 0.00 O ATOM 1682 CB ALA A 120 33.980 0.006 21.688 1.00 0.00 C ATOM 0 H ALA A 120 33.486 -2.023 22.987 1.00 0.00 H new ATOM 0 HA ALA A 120 31.915 -0.360 21.232 1.00 0.00 H new ATOM 0 HB1 ALA A 120 34.095 0.755 20.904 1.00 0.00 H new ATOM 0 HB2 ALA A 120 33.759 0.501 22.634 1.00 0.00 H new ATOM 0 HB3 ALA A 120 34.905 -0.563 21.784 1.00 0.00 H new ATOM 1688 N MET A 121 32.579 -1.086 18.909 1.00 0.00 N ATOM 1689 CA MET A 121 32.916 -1.485 17.550 1.00 0.00 C ATOM 1690 C MET A 121 34.386 -1.153 17.302 1.00 0.00 C ATOM 1691 O MET A 121 34.761 0.023 17.506 1.00 0.00 O ATOM 1692 CB MET A 121 31.979 -0.748 16.586 1.00 0.00 C ATOM 1693 CG MET A 121 32.239 -1.063 15.110 1.00 0.00 C ATOM 1694 SD MET A 121 32.010 -2.805 14.659 1.00 0.00 S ATOM 1695 CE MET A 121 32.197 -2.680 12.860 1.00 0.00 C ATOM 1696 OXT MET A 121 35.161 -2.057 16.926 1.00 0.00 O ATOM 0 H MET A 121 31.888 -0.337 18.953 1.00 0.00 H new ATOM 0 HA MET A 121 32.784 -2.556 17.393 1.00 0.00 H new ATOM 0 HB2 MET A 121 30.948 -1.007 16.827 1.00 0.00 H new ATOM 0 HB3 MET A 121 32.083 0.326 16.743 1.00 0.00 H new ATOM 0 HG2 MET A 121 31.574 -0.453 14.499 1.00 0.00 H new ATOM 0 HG3 MET A 121 33.259 -0.768 14.863 1.00 0.00 H new ATOM 0 HE1 MET A 121 32.085 -3.668 12.413 1.00 0.00 H new ATOM 0 HE2 MET A 121 31.434 -2.012 12.460 1.00 0.00 H new ATOM 0 HE3 MET A 121 33.185 -2.285 12.623 1.00 0.00 H new