USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=45 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 97 THR OG1 : rot 68:sc= 1.98 USER MOD Set 1.2: A 112 LYS NZ :NH3+ -111:sc= 0.899 (180deg=0.774) USER MOD Set 2.1: A 71 SER OG : rot 68:sc= 2.12 USER MOD Set 2.2: A 86 THR OG1 : rot 33:sc= 0.492 USER MOD Set 3.1: A 73 TYR OH : rot 9:sc= 1.15 USER MOD Set 3.2: A 83 THR OG1 : rot 120:sc= 1.1 USER MOD Set 4.1: A 72 GLN : amide:sc= 0.542 K(o=1.8,f=-0.7) USER MOD Set 4.2: A 87 SER OG : rot -46:sc= 1.25 USER MOD Set 5.1: A 47 ASN : amide:sc= -0.0618 K(o=1.2,f=-1.4!) USER MOD Set 5.2: A 62 GLN : amide:sc= 0.644 K(o=1.2,f=0.43) USER MOD Set 5.3: A 64 TYR OH : rot 30:sc= 0.578 USER MOD Set 6.1: A 42 GLN : amide:sc= 0.755 K(o=1.3,f=0.0069) USER MOD Set 6.2: A 44 SER OG : rot -106:sc= 0.564 USER MOD Set 7.1: A 41 SER OG : rot -169:sc= 1.56 USER MOD Set 7.2: A 53 THR OG1 : rot 180:sc= 0.805 USER MOD Set 8.1: A 12 THR OG1 : rot 103:sc= 2.13 USER MOD Set 8.2: A 14 ASN : amide:sc= 1.1 K(o=6.1,f=-3.1) USER MOD Set 8.3: A 15 SER OG : rot 88:sc= 1.92 USER MOD Set 8.4: A 29 ASN : amide:sc= 0.933 K(o=6.1,f=3.4) USER MOD Set 9.1: A 8 ASN : amide:sc= 0.596 K(o=2,f=0.28) USER MOD Set 9.2: A 24 ASN : amide:sc= 1.36 K(o=2,f=-0.51) USER MOD Set10.1: A 6 ASN : amide:sc= 0.606 K(o=1,f=-11!) USER MOD Set10.2: A 9 SER OG : rot 77:sc= 0.402 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.6) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 17 CYS SG : rot 100:sc= -0.469 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 71:sc= 1.38 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 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 88:sc= 2.01 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 86:sc= 1.2 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 60:sc= -0.0704 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 55:sc= 1.85 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.135 X(o=-0.13,f=-0.019) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.09) USER MOD Single : A 61 SER OG : rot 62:sc= 1.73 USER MOD Single : A 66 THR OG1 : rot 76:sc= 1.3 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 74 ASN : amide:sc= 1.19 K(o=1.2,f=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 75:sc= 1.78 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 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00552 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 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 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 5 10.814 -2.392 -1.549 1.00 0.00 N ATOM 47 CA VAL A 5 11.668 -1.509 -2.334 1.00 0.00 C ATOM 48 C VAL A 5 13.099 -2.044 -2.193 1.00 0.00 C ATOM 49 O VAL A 5 13.548 -2.328 -1.078 1.00 0.00 O ATOM 50 CB VAL A 5 11.522 -0.055 -1.830 1.00 0.00 C ATOM 51 CG1 VAL A 5 12.350 0.921 -2.681 1.00 0.00 C ATOM 52 CG2 VAL A 5 10.055 0.413 -1.854 1.00 0.00 C ATOM 0 HA VAL A 5 11.390 -1.494 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 5 11.888 -0.053 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.224 1.934 -2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.403 0.643 -2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.011 0.879 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.995 1.440 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.674 0.365 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 5 9.456 -0.233 -1.212 1.00 0.00 H new ATOM 62 N ASN A 6 13.829 -2.170 -3.303 1.00 0.00 N ATOM 63 CA ASN A 6 15.223 -2.606 -3.301 1.00 0.00 C ATOM 64 C ASN A 6 16.032 -1.700 -4.228 1.00 0.00 C ATOM 65 O ASN A 6 15.610 -1.437 -5.356 1.00 0.00 O ATOM 66 CB ASN A 6 15.333 -4.080 -3.738 1.00 0.00 C ATOM 67 CG ASN A 6 16.773 -4.589 -3.692 1.00 0.00 C ATOM 68 OD1 ASN A 6 17.650 -3.954 -3.123 1.00 0.00 O ATOM 69 ND2 ASN A 6 17.067 -5.735 -4.282 1.00 0.00 N ATOM 0 H ASN A 6 13.465 -1.970 -4.235 1.00 0.00 H new ATOM 0 HA ASN A 6 15.624 -2.532 -2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 6 14.710 -4.697 -3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 6 14.944 -4.187 -4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 6 18.024 -6.088 -4.262 1.00 0.00 H new ATOM 0 HD22 ASN A 6 16.337 -6.266 -4.757 1.00 0.00 H new ATOM 76 N THR A 7 17.201 -1.269 -3.763 1.00 0.00 N ATOM 77 CA THR A 7 18.213 -0.563 -4.526 1.00 0.00 C ATOM 78 C THR A 7 19.521 -1.341 -4.341 1.00 0.00 C ATOM 79 O THR A 7 20.226 -1.161 -3.351 1.00 0.00 O ATOM 80 CB THR A 7 18.294 0.903 -4.059 1.00 0.00 C ATOM 81 OG1 THR A 7 17.014 1.513 -4.086 1.00 0.00 O ATOM 82 CG2 THR A 7 19.229 1.728 -4.951 1.00 0.00 C ATOM 0 H THR A 7 17.478 -1.413 -2.792 1.00 0.00 H new ATOM 0 HA THR A 7 17.980 -0.515 -5.590 1.00 0.00 H new ATOM 0 HB THR A 7 18.683 0.884 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.088 2.442 -3.784 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.261 2.756 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 7 20.232 1.301 -4.920 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.860 1.714 -5.977 1.00 0.00 H new ATOM 90 N ASN A 8 19.828 -2.226 -5.295 1.00 0.00 N ATOM 91 CA ASN A 8 21.054 -3.033 -5.394 1.00 0.00 C ATOM 92 C ASN A 8 21.384 -3.921 -4.177 1.00 0.00 C ATOM 93 O ASN A 8 22.511 -4.406 -4.064 1.00 0.00 O ATOM 94 CB ASN A 8 22.245 -2.142 -5.803 1.00 0.00 C ATOM 95 CG ASN A 8 23.387 -2.958 -6.414 1.00 0.00 C ATOM 96 OD1 ASN A 8 23.193 -3.669 -7.397 1.00 0.00 O ATOM 97 ND2 ASN A 8 24.597 -2.865 -5.889 1.00 0.00 N ATOM 0 H ASN A 8 19.189 -2.411 -6.068 1.00 0.00 H new ATOM 0 HA ASN A 8 20.852 -3.763 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 8 21.909 -1.394 -6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.611 -1.603 -4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 8 25.373 -3.384 -6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 8 24.755 -2.274 -5.073 1.00 0.00 H new ATOM 104 N SER A 9 20.450 -4.150 -3.251 1.00 0.00 N ATOM 105 CA SER A 9 20.628 -5.149 -2.199 1.00 0.00 C ATOM 106 C SER A 9 20.450 -6.548 -2.774 1.00 0.00 C ATOM 107 O SER A 9 19.859 -6.721 -3.848 1.00 0.00 O ATOM 108 CB SER A 9 19.608 -4.967 -1.071 1.00 0.00 C ATOM 109 OG SER A 9 19.542 -3.611 -0.701 1.00 0.00 O ATOM 0 H SER A 9 19.560 -3.654 -3.210 1.00 0.00 H new ATOM 0 HA SER A 9 21.633 -5.020 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 9 18.627 -5.313 -1.397 1.00 0.00 H new ATOM 0 HB3 SER A 9 19.891 -5.574 -0.211 1.00 0.00 H new ATOM 0 HG SER A 9 19.029 -3.114 -1.372 1.00 0.00 H new ATOM 115 N GLN A 10 20.873 -7.541 -1.997 1.00 0.00 N ATOM 116 CA GLN A 10 20.593 -8.944 -2.274 1.00 0.00 C ATOM 117 C GLN A 10 19.824 -9.518 -1.088 1.00 0.00 C ATOM 118 O GLN A 10 20.177 -9.277 0.070 1.00 0.00 O ATOM 119 CB GLN A 10 21.879 -9.710 -2.661 1.00 0.00 C ATOM 120 CG GLN A 10 22.667 -10.422 -1.545 1.00 0.00 C ATOM 121 CD GLN A 10 21.971 -11.644 -0.940 1.00 0.00 C ATOM 122 OE1 GLN A 10 21.140 -12.292 -1.569 1.00 0.00 O ATOM 123 NE2 GLN A 10 22.262 -11.959 0.311 1.00 0.00 N ATOM 0 H GLN A 10 21.424 -7.392 -1.151 1.00 0.00 H new ATOM 0 HA GLN A 10 19.957 -9.055 -3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 10 21.609 -10.458 -3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 10 22.553 -9.004 -3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 10 23.632 -10.733 -1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 10 22.867 -9.705 -0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 10 22.954 -11.415 0.826 1.00 0.00 H new ATOM 0 HE22 GLN A 10 21.794 -12.746 0.761 1.00 0.00 H new ATOM 132 N ILE A 11 18.793 -10.298 -1.397 1.00 0.00 N ATOM 133 CA ILE A 11 17.977 -11.038 -0.455 1.00 0.00 C ATOM 134 C ILE A 11 17.925 -12.445 -1.044 1.00 0.00 C ATOM 135 O ILE A 11 17.485 -12.611 -2.187 1.00 0.00 O ATOM 136 CB ILE A 11 16.581 -10.376 -0.311 1.00 0.00 C ATOM 137 CG1 ILE A 11 16.667 -8.901 0.157 1.00 0.00 C ATOM 138 CG2 ILE A 11 15.723 -11.174 0.684 1.00 0.00 C ATOM 139 CD1 ILE A 11 16.594 -7.877 -0.986 1.00 0.00 C ATOM 0 H ILE A 11 18.493 -10.434 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 11 18.376 -11.054 0.559 1.00 0.00 H new ATOM 0 HB ILE A 11 16.123 -10.383 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.856 -8.705 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 11 17.601 -8.757 0.701 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.745 -10.703 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.601 -12.195 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 11 16.215 -11.191 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.661 -6.869 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.420 -8.043 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 11 15.649 -7.991 -1.517 1.00 0.00 H new ATOM 151 N THR A 12 18.431 -13.436 -0.307 1.00 0.00 N ATOM 152 CA THR A 12 18.497 -14.805 -0.824 1.00 0.00 C ATOM 153 C THR A 12 17.090 -15.390 -1.051 1.00 0.00 C ATOM 154 O THR A 12 16.088 -14.890 -0.527 1.00 0.00 O ATOM 155 CB THR A 12 19.348 -15.700 0.093 1.00 0.00 C ATOM 156 OG1 THR A 12 18.904 -15.594 1.424 1.00 0.00 O ATOM 157 CG2 THR A 12 20.833 -15.342 0.063 1.00 0.00 C ATOM 0 H THR A 12 18.797 -13.319 0.638 1.00 0.00 H new ATOM 0 HA THR A 12 18.988 -14.772 -1.796 1.00 0.00 H new ATOM 0 HB THR A 12 19.230 -16.716 -0.283 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.382 -16.389 1.659 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.381 -16.008 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.213 -15.452 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.965 -14.311 0.391 1.00 0.00 H new ATOM 165 N ALA A 13 17.009 -16.504 -1.790 1.00 0.00 N ATOM 166 CA ALA A 13 15.764 -17.232 -2.035 1.00 0.00 C ATOM 167 C ALA A 13 15.090 -17.713 -0.739 1.00 0.00 C ATOM 168 O ALA A 13 13.872 -17.898 -0.712 1.00 0.00 O ATOM 169 CB ALA A 13 16.072 -18.442 -2.920 1.00 0.00 C ATOM 0 H ALA A 13 17.820 -16.928 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 13 15.070 -16.548 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.153 -18.996 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 13 16.496 -18.103 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 13 16.787 -19.090 -2.414 1.00 0.00 H new ATOM 175 N ASN A 14 15.875 -17.914 0.323 1.00 0.00 N ATOM 176 CA ASN A 14 15.423 -18.377 1.638 1.00 0.00 C ATOM 177 C ASN A 14 15.299 -17.215 2.637 1.00 0.00 C ATOM 178 O ASN A 14 15.161 -17.448 3.839 1.00 0.00 O ATOM 179 CB ASN A 14 16.336 -19.504 2.163 1.00 0.00 C ATOM 180 CG ASN A 14 17.753 -19.067 2.532 1.00 0.00 C ATOM 181 OD1 ASN A 14 18.149 -17.922 2.339 1.00 0.00 O ATOM 182 ND2 ASN A 14 18.575 -19.977 3.024 1.00 0.00 N ATOM 0 H ASN A 14 16.882 -17.752 0.289 1.00 0.00 H new ATOM 0 HA ASN A 14 14.422 -18.794 1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.869 -19.950 3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.398 -20.284 1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 14 19.539 -19.728 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 14 18.245 -20.929 3.184 1.00 0.00 H new ATOM 189 N SER A 15 15.318 -15.974 2.146 1.00 0.00 N ATOM 190 CA SER A 15 15.138 -14.760 2.924 1.00 0.00 C ATOM 191 C SER A 15 13.850 -14.051 2.495 1.00 0.00 C ATOM 192 O SER A 15 13.262 -14.380 1.457 1.00 0.00 O ATOM 193 CB SER A 15 16.352 -13.862 2.704 1.00 0.00 C ATOM 194 OG SER A 15 17.502 -14.390 3.320 1.00 0.00 O ATOM 0 H SER A 15 15.466 -15.787 1.154 1.00 0.00 H new ATOM 0 HA SER A 15 15.051 -14.999 3.984 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.531 -13.746 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.148 -12.868 3.103 1.00 0.00 H new ATOM 0 HG SER A 15 17.951 -15.004 2.703 1.00 0.00 H new ATOM 200 N GLN A 16 13.406 -13.061 3.276 1.00 0.00 N ATOM 201 CA GLN A 16 12.123 -12.401 3.093 1.00 0.00 C ATOM 202 C GLN A 16 12.331 -10.890 3.154 1.00 0.00 C ATOM 203 O GLN A 16 13.077 -10.407 4.003 1.00 0.00 O ATOM 204 CB GLN A 16 11.144 -12.916 4.162 1.00 0.00 C ATOM 205 CG GLN A 16 9.727 -12.355 3.997 1.00 0.00 C ATOM 206 CD GLN A 16 8.731 -13.058 4.920 1.00 0.00 C ATOM 207 OE1 GLN A 16 8.721 -12.844 6.129 1.00 0.00 O ATOM 208 NE2 GLN A 16 7.877 -13.914 4.384 1.00 0.00 N ATOM 0 H GLN A 16 13.941 -12.695 4.063 1.00 0.00 H new ATOM 0 HA GLN A 16 11.691 -12.629 2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.105 -14.004 4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.521 -12.651 5.150 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.731 -11.286 4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.408 -12.471 2.961 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.891 -14.087 3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.204 -14.401 4.976 1.00 0.00 H new ATOM 217 N CYS A 17 11.662 -10.159 2.264 1.00 0.00 N ATOM 218 CA CYS A 17 11.720 -8.709 2.138 1.00 0.00 C ATOM 219 C CYS A 17 10.288 -8.243 1.872 1.00 0.00 C ATOM 220 O CYS A 17 9.758 -8.497 0.792 1.00 0.00 O ATOM 221 CB CYS A 17 12.694 -8.382 0.998 1.00 0.00 C ATOM 222 SG CYS A 17 13.179 -6.654 0.752 1.00 0.00 S ATOM 0 H CYS A 17 11.036 -10.585 1.580 1.00 0.00 H new ATOM 0 HA CYS A 17 12.086 -8.197 3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.602 -8.962 1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 17 12.250 -8.738 0.069 1.00 0.00 H new ATOM 0 HG CYS A 17 14.348 -6.452 1.283 1.00 0.00 H new ATOM 227 N VAL A 18 9.638 -7.609 2.853 1.00 0.00 N ATOM 228 CA VAL A 18 8.203 -7.298 2.820 1.00 0.00 C ATOM 229 C VAL A 18 8.004 -5.869 3.329 1.00 0.00 C ATOM 230 O VAL A 18 8.480 -5.542 4.417 1.00 0.00 O ATOM 231 CB VAL A 18 7.434 -8.346 3.662 1.00 0.00 C ATOM 232 CG1 VAL A 18 5.970 -7.969 3.930 1.00 0.00 C ATOM 233 CG2 VAL A 18 7.431 -9.723 2.976 1.00 0.00 C ATOM 0 H VAL A 18 10.100 -7.292 3.706 1.00 0.00 H new ATOM 0 HA VAL A 18 7.807 -7.349 1.806 1.00 0.00 H new ATOM 0 HB VAL A 18 7.969 -8.378 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.496 -8.750 4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.931 -7.025 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.442 -7.864 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.883 -10.436 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.951 -9.643 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.457 -10.068 2.848 1.00 0.00 H new ATOM 243 N LYS A 19 7.318 -5.019 2.546 1.00 0.00 N ATOM 244 CA LYS A 19 6.997 -3.597 2.814 1.00 0.00 C ATOM 245 C LYS A 19 8.201 -2.686 3.094 1.00 0.00 C ATOM 246 O LYS A 19 8.032 -1.481 3.279 1.00 0.00 O ATOM 247 CB LYS A 19 5.999 -3.472 3.984 1.00 0.00 C ATOM 248 CG LYS A 19 4.663 -4.206 3.831 1.00 0.00 C ATOM 249 CD LYS A 19 3.817 -3.699 2.655 1.00 0.00 C ATOM 250 CE LYS A 19 2.460 -4.417 2.641 1.00 0.00 C ATOM 251 NZ LYS A 19 1.591 -3.956 1.530 1.00 0.00 N ATOM 0 H LYS A 19 6.945 -5.323 1.646 1.00 0.00 H new ATOM 0 HA LYS A 19 6.561 -3.246 1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.487 -3.838 4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.790 -2.414 4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.856 -5.270 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.091 -4.099 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.668 -2.623 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.341 -3.875 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.621 -5.491 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.952 -4.248 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.687 -4.468 1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.414 -2.936 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.062 -4.140 0.621 1.00 0.00 H new ATOM 265 N SER A 20 9.397 -3.247 3.156 1.00 0.00 N ATOM 266 CA SER A 20 10.597 -2.590 3.623 1.00 0.00 C ATOM 267 C SER A 20 11.342 -1.913 2.473 1.00 0.00 C ATOM 268 O SER A 20 10.935 -2.013 1.313 1.00 0.00 O ATOM 269 CB SER A 20 11.410 -3.670 4.339 1.00 0.00 C ATOM 270 OG SER A 20 10.665 -4.155 5.450 1.00 0.00 O ATOM 0 H SER A 20 9.560 -4.212 2.870 1.00 0.00 H new ATOM 0 HA SER A 20 10.382 -1.774 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.637 -4.486 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.363 -3.262 4.675 1.00 0.00 H new ATOM 0 HG SER A 20 9.910 -4.690 5.129 1.00 0.00 H new ATOM 276 N THR A 21 12.446 -1.247 2.800 1.00 0.00 N ATOM 277 CA THR A 21 13.366 -0.667 1.836 1.00 0.00 C ATOM 278 C THR A 21 14.747 -1.232 2.153 1.00 0.00 C ATOM 279 O THR A 21 15.147 -1.263 3.318 1.00 0.00 O ATOM 280 CB THR A 21 13.323 0.869 1.934 1.00 0.00 C ATOM 281 OG1 THR A 21 11.996 1.338 1.782 1.00 0.00 O ATOM 282 CG2 THR A 21 14.189 1.552 0.869 1.00 0.00 C ATOM 0 H THR A 21 12.729 -1.094 3.768 1.00 0.00 H new ATOM 0 HA THR A 21 13.098 -0.917 0.810 1.00 0.00 H new ATOM 0 HB THR A 21 13.715 1.120 2.919 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.985 2.316 1.848 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.122 2.634 0.984 1.00 0.00 H new ATOM 0 HG22 THR A 21 15.226 1.238 0.987 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.836 1.270 -0.123 1.00 0.00 H new ATOM 290 N ALA A 22 15.482 -1.670 1.133 1.00 0.00 N ATOM 291 CA ALA A 22 16.829 -2.185 1.286 1.00 0.00 C ATOM 292 C ALA A 22 17.719 -1.479 0.273 1.00 0.00 C ATOM 293 O ALA A 22 17.430 -1.502 -0.925 1.00 0.00 O ATOM 294 CB ALA A 22 16.822 -3.706 1.086 1.00 0.00 C ATOM 0 H ALA A 22 15.150 -1.675 0.169 1.00 0.00 H new ATOM 0 HA ALA A 22 17.216 -1.993 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 22 17.835 -4.093 1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.171 -4.168 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.456 -3.940 0.086 1.00 0.00 H new ATOM 300 N THR A 23 18.808 -0.887 0.752 1.00 0.00 N ATOM 301 CA THR A 23 19.785 -0.191 -0.070 1.00 0.00 C ATOM 302 C THR A 23 21.140 -0.877 0.118 1.00 0.00 C ATOM 303 O THR A 23 21.735 -0.797 1.192 1.00 0.00 O ATOM 304 CB THR A 23 19.807 1.302 0.309 1.00 0.00 C ATOM 305 OG1 THR A 23 18.494 1.839 0.302 1.00 0.00 O ATOM 306 CG2 THR A 23 20.662 2.126 -0.661 1.00 0.00 C ATOM 0 H THR A 23 19.039 -0.879 1.745 1.00 0.00 H new ATOM 0 HA THR A 23 19.527 -0.239 -1.128 1.00 0.00 H new ATOM 0 HB THR A 23 20.239 1.362 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.527 2.787 0.547 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.650 3.173 -0.357 1.00 0.00 H new ATOM 0 HG22 THR A 23 21.687 1.756 -0.647 1.00 0.00 H new ATOM 0 HG23 THR A 23 20.257 2.036 -1.669 1.00 0.00 H new ATOM 314 N ASN A 24 21.626 -1.538 -0.936 1.00 0.00 N ATOM 315 CA ASN A 24 22.877 -2.294 -1.018 1.00 0.00 C ATOM 316 C ASN A 24 23.132 -3.199 0.202 1.00 0.00 C ATOM 317 O ASN A 24 24.267 -3.309 0.668 1.00 0.00 O ATOM 318 CB ASN A 24 24.037 -1.335 -1.347 1.00 0.00 C ATOM 319 CG ASN A 24 25.142 -2.029 -2.138 1.00 0.00 C ATOM 320 OD1 ASN A 24 25.289 -1.797 -3.335 1.00 0.00 O ATOM 321 ND2 ASN A 24 25.924 -2.893 -1.516 1.00 0.00 N ATOM 0 H ASN A 24 21.117 -1.560 -1.820 1.00 0.00 H new ATOM 0 HA ASN A 24 22.794 -3.007 -1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 24 23.657 -0.489 -1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 24 24.450 -0.934 -0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 24 26.660 -3.376 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 24 25.791 -3.077 -0.521 1.00 0.00 H new ATOM 328 N CYS A 25 22.087 -3.819 0.757 1.00 0.00 N ATOM 329 CA CYS A 25 22.191 -4.699 1.916 1.00 0.00 C ATOM 330 C CYS A 25 22.436 -6.130 1.440 1.00 0.00 C ATOM 331 O CYS A 25 22.287 -6.434 0.253 1.00 0.00 O ATOM 332 CB CYS A 25 20.917 -4.602 2.770 1.00 0.00 C ATOM 333 SG CYS A 25 20.784 -3.021 3.641 1.00 0.00 S ATOM 0 H CYS A 25 21.134 -3.720 0.407 1.00 0.00 H new ATOM 0 HA CYS A 25 23.030 -4.392 2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 25 20.044 -4.735 2.131 1.00 0.00 H new ATOM 0 HB3 CYS A 25 20.908 -5.415 3.496 1.00 0.00 H new ATOM 338 N TYR A 26 22.758 -7.027 2.368 1.00 0.00 N ATOM 339 CA TYR A 26 22.942 -8.443 2.092 1.00 0.00 C ATOM 340 C TYR A 26 22.182 -9.199 3.171 1.00 0.00 C ATOM 341 O TYR A 26 22.367 -8.926 4.357 1.00 0.00 O ATOM 342 CB TYR A 26 24.440 -8.770 2.087 1.00 0.00 C ATOM 343 CG TYR A 26 24.787 -10.188 1.667 1.00 0.00 C ATOM 344 CD1 TYR A 26 24.531 -11.272 2.529 1.00 0.00 C ATOM 345 CD2 TYR A 26 25.395 -10.424 0.418 1.00 0.00 C ATOM 346 CE1 TYR A 26 24.897 -12.578 2.157 1.00 0.00 C ATOM 347 CE2 TYR A 26 25.745 -11.730 0.030 1.00 0.00 C ATOM 348 CZ TYR A 26 25.504 -12.816 0.903 1.00 0.00 C ATOM 349 OH TYR A 26 25.846 -14.087 0.551 1.00 0.00 O ATOM 0 H TYR A 26 22.900 -6.783 3.348 1.00 0.00 H new ATOM 0 HA TYR A 26 22.559 -8.731 1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 26 24.946 -8.075 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 26 24.838 -8.596 3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 26 24.051 -11.099 3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 26 25.594 -9.596 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 26 24.714 -13.401 2.831 1.00 0.00 H new ATOM 0 HE2 TYR A 26 26.198 -11.903 -0.935 1.00 0.00 H new ATOM 0 HH TYR A 26 26.252 -14.081 -0.341 1.00 0.00 H new ATOM 359 N ILE A 27 21.323 -10.132 2.771 1.00 0.00 N ATOM 360 CA ILE A 27 20.369 -10.788 3.651 1.00 0.00 C ATOM 361 C ILE A 27 20.408 -12.276 3.291 1.00 0.00 C ATOM 362 O ILE A 27 20.107 -12.627 2.146 1.00 0.00 O ATOM 363 CB ILE A 27 18.988 -10.105 3.444 1.00 0.00 C ATOM 364 CG1 ILE A 27 19.051 -8.602 3.827 1.00 0.00 C ATOM 365 CG2 ILE A 27 17.865 -10.815 4.206 1.00 0.00 C ATOM 366 CD1 ILE A 27 17.712 -7.857 3.853 1.00 0.00 C ATOM 0 H ILE A 27 21.272 -10.458 1.806 1.00 0.00 H new ATOM 0 HA ILE A 27 20.595 -10.699 4.714 1.00 0.00 H new ATOM 0 HB ILE A 27 18.751 -10.184 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.510 -8.518 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.712 -8.096 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.922 -10.299 4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 27 17.786 -11.846 3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 27 18.088 -10.807 5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 27 17.880 -6.817 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 27 17.254 -7.898 2.865 1.00 0.00 H new ATOM 0 HD13 ILE A 27 17.049 -8.326 4.580 1.00 0.00 H new ATOM 378 N ASP A 28 20.823 -13.131 4.235 1.00 0.00 N ATOM 379 CA ASP A 28 20.953 -14.580 4.052 1.00 0.00 C ATOM 380 C ASP A 28 20.173 -15.308 5.145 1.00 0.00 C ATOM 381 O ASP A 28 20.374 -15.029 6.329 1.00 0.00 O ATOM 382 CB ASP A 28 22.427 -14.988 4.087 1.00 0.00 C ATOM 383 CG ASP A 28 22.587 -16.512 4.227 1.00 0.00 C ATOM 384 OD1 ASP A 28 22.180 -17.254 3.307 1.00 0.00 O ATOM 385 OD2 ASP A 28 23.153 -16.971 5.244 1.00 0.00 O ATOM 0 H ASP A 28 21.084 -12.824 5.172 1.00 0.00 H new ATOM 0 HA ASP A 28 20.543 -14.856 3.080 1.00 0.00 H new ATOM 0 HB2 ASP A 28 22.921 -14.652 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 28 22.924 -14.491 4.920 1.00 0.00 H new ATOM 390 N ASN A 29 19.295 -16.237 4.750 1.00 0.00 N ATOM 391 CA ASN A 29 18.286 -16.910 5.578 1.00 0.00 C ATOM 392 C ASN A 29 17.625 -15.966 6.596 1.00 0.00 C ATOM 393 O ASN A 29 17.380 -16.352 7.740 1.00 0.00 O ATOM 394 CB ASN A 29 18.851 -18.184 6.234 1.00 0.00 C ATOM 395 CG ASN A 29 17.715 -19.121 6.659 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.937 -19.576 5.826 1.00 0.00 O ATOM 397 ND2 ASN A 29 17.582 -19.468 7.929 1.00 0.00 N ATOM 0 H ASN A 29 19.268 -16.560 3.783 1.00 0.00 H new ATOM 0 HA ASN A 29 17.487 -17.224 4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.511 -18.698 5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.453 -17.916 7.102 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.838 -20.108 8.208 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.223 -19.096 8.629 1.00 0.00 H new ATOM 404 N SER A 30 17.366 -14.717 6.203 1.00 0.00 N ATOM 405 CA SER A 30 16.958 -13.652 7.107 1.00 0.00 C ATOM 406 C SER A 30 15.700 -12.935 6.626 1.00 0.00 C ATOM 407 O SER A 30 15.254 -13.108 5.493 1.00 0.00 O ATOM 408 CB SER A 30 18.119 -12.667 7.265 1.00 0.00 C ATOM 409 OG SER A 30 19.221 -13.254 7.915 1.00 0.00 O ATOM 0 H SER A 30 17.437 -14.417 5.231 1.00 0.00 H new ATOM 0 HA SER A 30 16.710 -14.094 8.072 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.426 -12.307 6.283 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.784 -11.799 7.832 1.00 0.00 H new ATOM 0 HG SER A 30 19.802 -13.682 7.252 1.00 0.00 H new ATOM 415 N GLN A 31 15.111 -12.121 7.497 1.00 0.00 N ATOM 416 CA GLN A 31 13.803 -11.523 7.292 1.00 0.00 C ATOM 417 C GLN A 31 13.915 -10.018 7.521 1.00 0.00 C ATOM 418 O GLN A 31 14.464 -9.578 8.532 1.00 0.00 O ATOM 419 CB GLN A 31 12.797 -12.162 8.264 1.00 0.00 C ATOM 420 CG GLN A 31 12.574 -13.667 8.043 1.00 0.00 C ATOM 421 CD GLN A 31 11.705 -14.260 9.155 1.00 0.00 C ATOM 422 OE1 GLN A 31 10.483 -14.135 9.154 1.00 0.00 O ATOM 423 NE2 GLN A 31 12.312 -14.915 10.134 1.00 0.00 N ATOM 0 H GLN A 31 15.542 -11.855 8.383 1.00 0.00 H new ATOM 0 HA GLN A 31 13.451 -11.698 6.275 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.145 -12.004 9.285 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.841 -11.647 8.170 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.096 -13.830 7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 31 13.535 -14.181 8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.327 -15.015 10.128 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.764 -15.319 10.893 1.00 0.00 H new ATOM 432 N LEU A 32 13.375 -9.248 6.580 1.00 0.00 N ATOM 433 CA LEU A 32 13.275 -7.794 6.597 1.00 0.00 C ATOM 434 C LEU A 32 11.799 -7.494 6.358 1.00 0.00 C ATOM 435 O LEU A 32 11.318 -7.695 5.240 1.00 0.00 O ATOM 436 CB LEU A 32 14.159 -7.222 5.471 1.00 0.00 C ATOM 437 CG LEU A 32 14.101 -5.688 5.361 1.00 0.00 C ATOM 438 CD1 LEU A 32 15.007 -5.012 6.385 1.00 0.00 C ATOM 439 CD2 LEU A 32 14.542 -5.224 3.971 1.00 0.00 C ATOM 0 H LEU A 32 12.971 -9.649 5.734 1.00 0.00 H new ATOM 0 HA LEU A 32 13.614 -7.347 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.192 -7.527 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.850 -7.658 4.521 1.00 0.00 H new ATOM 0 HG LEU A 32 13.065 -5.406 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.937 -3.930 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.694 -5.295 7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.038 -5.328 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.492 -4.136 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.566 -5.550 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.882 -5.655 3.217 1.00 0.00 H new ATOM 451 N VAL A 33 11.062 -7.073 7.387 1.00 0.00 N ATOM 452 CA VAL A 33 9.606 -6.990 7.293 1.00 0.00 C ATOM 453 C VAL A 33 9.047 -5.690 7.882 1.00 0.00 C ATOM 454 O VAL A 33 9.704 -5.019 8.685 1.00 0.00 O ATOM 455 CB VAL A 33 8.969 -8.258 7.919 1.00 0.00 C ATOM 456 CG1 VAL A 33 9.418 -9.551 7.217 1.00 0.00 C ATOM 457 CG2 VAL A 33 9.261 -8.416 9.419 1.00 0.00 C ATOM 0 H VAL A 33 11.446 -6.787 8.287 1.00 0.00 H new ATOM 0 HA VAL A 33 9.333 -6.958 6.238 1.00 0.00 H new ATOM 0 HB VAL A 33 7.899 -8.107 7.779 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.943 -10.408 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.129 -9.514 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.501 -9.648 7.292 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.784 -9.324 9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.338 -8.482 9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.868 -7.554 9.959 1.00 0.00 H new ATOM 467 N ASP A 34 7.798 -5.395 7.500 1.00 0.00 N ATOM 468 CA ASP A 34 6.946 -4.304 7.979 1.00 0.00 C ATOM 469 C ASP A 34 7.679 -2.965 8.048 1.00 0.00 C ATOM 470 O ASP A 34 8.031 -2.484 9.119 1.00 0.00 O ATOM 471 CB ASP A 34 6.255 -4.677 9.297 1.00 0.00 C ATOM 472 CG ASP A 34 5.292 -3.575 9.781 1.00 0.00 C ATOM 473 OD1 ASP A 34 4.679 -2.873 8.944 1.00 0.00 O ATOM 474 OD2 ASP A 34 5.080 -3.466 11.010 1.00 0.00 O ATOM 0 H ASP A 34 7.322 -5.957 6.794 1.00 0.00 H new ATOM 0 HA ASP A 34 6.161 -4.160 7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.703 -5.608 9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.010 -4.860 10.062 1.00 0.00 H new ATOM 479 N THR A 35 7.915 -2.362 6.883 1.00 0.00 N ATOM 480 CA THR A 35 8.599 -1.089 6.724 1.00 0.00 C ATOM 481 C THR A 35 9.924 -0.954 7.501 1.00 0.00 C ATOM 482 O THR A 35 10.191 0.069 8.141 1.00 0.00 O ATOM 483 CB THR A 35 7.617 0.079 6.914 1.00 0.00 C ATOM 484 OG1 THR A 35 6.316 -0.235 6.433 1.00 0.00 O ATOM 485 CG2 THR A 35 8.114 1.290 6.115 1.00 0.00 C ATOM 0 H THR A 35 7.622 -2.766 5.993 1.00 0.00 H new ATOM 0 HA THR A 35 8.949 -1.049 5.692 1.00 0.00 H new ATOM 0 HB THR A 35 7.565 0.286 7.983 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.722 0.531 6.573 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.421 2.121 6.246 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.102 1.581 6.472 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.172 1.030 5.058 1.00 0.00 H new ATOM 493 N SER A 36 10.754 -1.997 7.495 1.00 0.00 N ATOM 494 CA SER A 36 12.121 -1.866 7.962 1.00 0.00 C ATOM 495 C SER A 36 12.863 -1.103 6.858 1.00 0.00 C ATOM 496 O SER A 36 12.425 -1.074 5.702 1.00 0.00 O ATOM 497 CB SER A 36 12.750 -3.239 8.183 1.00 0.00 C ATOM 498 OG SER A 36 12.119 -3.903 9.252 1.00 0.00 O ATOM 0 H SER A 36 10.501 -2.931 7.174 1.00 0.00 H new ATOM 0 HA SER A 36 12.170 -1.342 8.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.664 -3.836 7.275 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.814 -3.129 8.393 1.00 0.00 H new ATOM 0 HG SER A 36 11.326 -4.374 8.922 1.00 0.00 H new ATOM 504 N ILE A 37 13.987 -0.479 7.184 1.00 0.00 N ATOM 505 CA ILE A 37 14.751 0.316 6.231 1.00 0.00 C ATOM 506 C ILE A 37 16.225 -0.035 6.467 1.00 0.00 C ATOM 507 O ILE A 37 16.703 0.048 7.598 1.00 0.00 O ATOM 508 CB ILE A 37 14.388 1.819 6.385 1.00 0.00 C ATOM 509 CG1 ILE A 37 12.926 2.089 5.948 1.00 0.00 C ATOM 510 CG2 ILE A 37 15.368 2.710 5.597 1.00 0.00 C ATOM 511 CD1 ILE A 37 12.469 3.548 6.077 1.00 0.00 C ATOM 0 H ILE A 37 14.396 -0.510 8.118 1.00 0.00 H new ATOM 0 HA ILE A 37 14.517 0.095 5.190 1.00 0.00 H new ATOM 0 HB ILE A 37 14.476 2.073 7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.810 1.778 4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.263 1.462 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.090 3.756 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 37 16.380 2.556 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.328 2.449 4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.434 3.635 5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.546 3.863 7.118 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.102 4.184 5.458 1.00 0.00 H new ATOM 523 N CYS A 38 16.949 -0.446 5.422 1.00 0.00 N ATOM 524 CA CYS A 38 18.284 -1.008 5.541 1.00 0.00 C ATOM 525 C CYS A 38 19.205 -0.281 4.573 1.00 0.00 C ATOM 526 O CYS A 38 18.826 -0.062 3.422 1.00 0.00 O ATOM 527 CB CYS A 38 18.204 -2.518 5.249 1.00 0.00 C ATOM 528 SG CYS A 38 19.762 -3.437 5.356 1.00 0.00 S ATOM 0 H CYS A 38 16.614 -0.394 4.460 1.00 0.00 H new ATOM 0 HA CYS A 38 18.688 -0.880 6.545 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.494 -2.965 5.945 1.00 0.00 H new ATOM 0 HB3 CYS A 38 17.795 -2.652 4.248 1.00 0.00 H new ATOM 533 N THR A 39 20.419 0.043 5.021 1.00 0.00 N ATOM 534 CA THR A 39 21.452 0.671 4.216 1.00 0.00 C ATOM 535 C THR A 39 22.772 -0.045 4.514 1.00 0.00 C ATOM 536 O THR A 39 23.315 0.078 5.608 1.00 0.00 O ATOM 537 CB THR A 39 21.523 2.180 4.528 1.00 0.00 C ATOM 538 OG1 THR A 39 20.240 2.780 4.463 1.00 0.00 O ATOM 539 CG2 THR A 39 22.432 2.915 3.538 1.00 0.00 C ATOM 0 H THR A 39 20.713 -0.132 5.982 1.00 0.00 H new ATOM 0 HA THR A 39 21.232 0.584 3.152 1.00 0.00 H new ATOM 0 HB THR A 39 21.926 2.265 5.537 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.315 3.736 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.459 3.976 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 39 23.440 2.503 3.595 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.045 2.790 2.527 1.00 0.00 H new ATOM 547 N ARG A 40 23.293 -0.794 3.540 1.00 0.00 N ATOM 548 CA ARG A 40 24.564 -1.523 3.581 1.00 0.00 C ATOM 549 C ARG A 40 24.761 -2.427 4.810 1.00 0.00 C ATOM 550 O ARG A 40 25.904 -2.688 5.188 1.00 0.00 O ATOM 551 CB ARG A 40 25.738 -0.550 3.328 1.00 0.00 C ATOM 552 CG ARG A 40 26.869 -1.230 2.536 1.00 0.00 C ATOM 553 CD ARG A 40 28.101 -0.332 2.370 1.00 0.00 C ATOM 554 NE ARG A 40 28.911 -0.255 3.599 1.00 0.00 N ATOM 555 CZ ARG A 40 30.168 0.199 3.675 1.00 0.00 C ATOM 556 NH1 ARG A 40 30.786 0.702 2.608 1.00 0.00 N ATOM 557 NH2 ARG A 40 30.794 0.136 4.840 1.00 0.00 N ATOM 0 H ARG A 40 22.811 -0.916 2.649 1.00 0.00 H new ATOM 0 HA ARG A 40 24.536 -2.246 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 40 25.379 0.321 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 40 26.125 -0.189 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 40 27.161 -2.149 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 40 26.497 -1.514 1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.717 -0.713 1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 40 27.781 0.670 2.086 1.00 0.00 H new ATOM 0 HE ARG A 40 28.477 -0.575 4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 40 30.301 0.747 1.712 1.00 0.00 H new ATOM 0 HH12 ARG A 40 31.744 1.043 2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 40 30.318 -0.252 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.752 0.476 4.923 1.00 0.00 H new ATOM 571 N SER A 41 23.692 -2.927 5.431 1.00 0.00 N ATOM 572 CA SER A 41 23.814 -3.843 6.559 1.00 0.00 C ATOM 573 C SER A 41 23.797 -5.297 6.068 1.00 0.00 C ATOM 574 O SER A 41 23.341 -5.603 4.962 1.00 0.00 O ATOM 575 CB SER A 41 22.730 -3.571 7.609 1.00 0.00 C ATOM 576 OG SER A 41 22.845 -2.245 8.095 1.00 0.00 O ATOM 0 H SER A 41 22.730 -2.710 5.169 1.00 0.00 H new ATOM 0 HA SER A 41 24.773 -3.673 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 41 21.743 -3.722 7.172 1.00 0.00 H new ATOM 0 HB3 SER A 41 22.825 -4.278 8.433 1.00 0.00 H new ATOM 0 HG SER A 41 22.265 -2.132 8.877 1.00 0.00 H new ATOM 582 N GLN A 42 24.306 -6.182 6.921 1.00 0.00 N ATOM 583 CA GLN A 42 24.458 -7.617 6.703 1.00 0.00 C ATOM 584 C GLN A 42 23.516 -8.319 7.676 1.00 0.00 C ATOM 585 O GLN A 42 23.660 -8.122 8.883 1.00 0.00 O ATOM 586 CB GLN A 42 25.927 -7.993 6.993 1.00 0.00 C ATOM 587 CG GLN A 42 26.239 -9.500 7.075 1.00 0.00 C ATOM 588 CD GLN A 42 26.130 -10.236 5.741 1.00 0.00 C ATOM 589 OE1 GLN A 42 26.632 -9.778 4.719 1.00 0.00 O ATOM 590 NE2 GLN A 42 25.498 -11.398 5.713 1.00 0.00 N ATOM 0 H GLN A 42 24.644 -5.898 7.840 1.00 0.00 H new ATOM 0 HA GLN A 42 24.217 -7.910 5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 42 26.553 -7.555 6.215 1.00 0.00 H new ATOM 0 HB3 GLN A 42 26.220 -7.531 7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 42 27.248 -9.630 7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 42 25.557 -9.962 7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 42 25.083 -11.773 6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 42 25.426 -11.918 4.839 1.00 0.00 H new ATOM 599 N TYR A 43 22.589 -9.145 7.188 1.00 0.00 N ATOM 600 CA TYR A 43 21.758 -10.003 8.029 1.00 0.00 C ATOM 601 C TYR A 43 22.141 -11.445 7.722 1.00 0.00 C ATOM 602 O TYR A 43 22.257 -11.815 6.548 1.00 0.00 O ATOM 603 CB TYR A 43 20.253 -9.844 7.753 1.00 0.00 C ATOM 604 CG TYR A 43 19.576 -8.494 7.909 1.00 0.00 C ATOM 605 CD1 TYR A 43 20.260 -7.338 8.336 1.00 0.00 C ATOM 606 CD2 TYR A 43 18.203 -8.411 7.613 1.00 0.00 C ATOM 607 CE1 TYR A 43 19.597 -6.104 8.399 1.00 0.00 C ATOM 608 CE2 TYR A 43 17.523 -7.188 7.712 1.00 0.00 C ATOM 609 CZ TYR A 43 18.224 -6.020 8.088 1.00 0.00 C ATOM 610 OH TYR A 43 17.584 -4.826 8.204 1.00 0.00 O ATOM 0 H TYR A 43 22.394 -9.237 6.191 1.00 0.00 H new ATOM 0 HA TYR A 43 21.930 -9.725 9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 43 20.078 -10.175 6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 43 19.731 -10.542 8.407 1.00 0.00 H new ATOM 0 HD1 TYR A 43 21.301 -7.403 8.616 1.00 0.00 H new ATOM 0 HD2 TYR A 43 17.667 -9.297 7.307 1.00 0.00 H new ATOM 0 HE1 TYR A 43 20.139 -5.215 8.686 1.00 0.00 H new ATOM 0 HE2 TYR A 43 16.465 -7.139 7.501 1.00 0.00 H new ATOM 0 HH TYR A 43 18.007 -4.169 7.612 1.00 0.00 H new ATOM 620 N SER A 44 22.282 -12.256 8.767 1.00 0.00 N ATOM 621 CA SER A 44 22.632 -13.657 8.658 1.00 0.00 C ATOM 622 C SER A 44 21.796 -14.427 9.683 1.00 0.00 C ATOM 623 O SER A 44 21.941 -14.219 10.890 1.00 0.00 O ATOM 624 CB SER A 44 24.136 -13.833 8.922 1.00 0.00 C ATOM 625 OG SER A 44 24.932 -12.977 8.109 1.00 0.00 O ATOM 0 H SER A 44 22.152 -11.945 9.730 1.00 0.00 H new ATOM 0 HA SER A 44 22.424 -14.038 7.658 1.00 0.00 H new ATOM 0 HB2 SER A 44 24.344 -13.629 9.972 1.00 0.00 H new ATOM 0 HB3 SER A 44 24.416 -14.870 8.737 1.00 0.00 H new ATOM 0 HG SER A 44 25.363 -13.504 7.404 1.00 0.00 H new ATOM 631 N ASP A 45 20.928 -15.318 9.198 1.00 0.00 N ATOM 632 CA ASP A 45 19.982 -16.114 9.984 1.00 0.00 C ATOM 633 C ASP A 45 19.207 -15.296 11.038 1.00 0.00 C ATOM 634 O ASP A 45 19.039 -15.732 12.178 1.00 0.00 O ATOM 635 CB ASP A 45 20.703 -17.343 10.565 1.00 0.00 C ATOM 636 CG ASP A 45 19.708 -18.385 11.097 1.00 0.00 C ATOM 637 OD1 ASP A 45 18.769 -18.743 10.353 1.00 0.00 O ATOM 638 OD2 ASP A 45 19.902 -18.911 12.218 1.00 0.00 O ATOM 0 H ASP A 45 20.863 -15.513 8.199 1.00 0.00 H new ATOM 0 HA ASP A 45 19.198 -16.466 9.313 1.00 0.00 H new ATOM 0 HB2 ASP A 45 21.328 -17.796 9.795 1.00 0.00 H new ATOM 0 HB3 ASP A 45 21.367 -17.029 11.371 1.00 0.00 H new ATOM 643 N ALA A 46 18.752 -14.087 10.681 1.00 0.00 N ATOM 644 CA ALA A 46 18.195 -13.097 11.604 1.00 0.00 C ATOM 645 C ALA A 46 16.849 -12.532 11.130 1.00 0.00 C ATOM 646 O ALA A 46 16.443 -12.736 9.986 1.00 0.00 O ATOM 647 CB ALA A 46 19.222 -11.968 11.757 1.00 0.00 C ATOM 0 H ALA A 46 18.763 -13.765 9.713 1.00 0.00 H new ATOM 0 HA ALA A 46 17.998 -13.584 12.559 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.834 -11.213 12.441 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.152 -12.374 12.155 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.411 -11.514 10.784 1.00 0.00 H new ATOM 653 N ASN A 47 16.163 -11.770 11.985 1.00 0.00 N ATOM 654 CA ASN A 47 14.909 -11.091 11.655 1.00 0.00 C ATOM 655 C ASN A 47 14.972 -9.646 12.112 1.00 0.00 C ATOM 656 O ASN A 47 15.459 -9.354 13.205 1.00 0.00 O ATOM 657 CB ASN A 47 13.712 -11.779 12.322 1.00 0.00 C ATOM 658 CG ASN A 47 12.434 -10.946 12.205 1.00 0.00 C ATOM 659 OD1 ASN A 47 11.998 -10.617 11.108 1.00 0.00 O ATOM 660 ND2 ASN A 47 11.826 -10.559 13.313 1.00 0.00 N ATOM 0 H ASN A 47 16.470 -11.605 12.944 1.00 0.00 H new ATOM 0 HA ASN A 47 14.777 -11.136 10.574 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.552 -12.754 11.863 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.935 -11.955 13.374 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.987 -9.982 13.259 1.00 0.00 H new ATOM 0 HD22 ASN A 47 12.196 -10.838 14.222 1.00 0.00 H new ATOM 667 N VAL A 48 14.431 -8.759 11.291 1.00 0.00 N ATOM 668 CA VAL A 48 14.373 -7.329 11.529 1.00 0.00 C ATOM 669 C VAL A 48 12.977 -6.853 11.125 1.00 0.00 C ATOM 670 O VAL A 48 12.516 -7.144 10.016 1.00 0.00 O ATOM 671 CB VAL A 48 15.508 -6.621 10.758 1.00 0.00 C ATOM 672 CG1 VAL A 48 15.503 -5.121 11.069 1.00 0.00 C ATOM 673 CG2 VAL A 48 16.896 -7.190 11.108 1.00 0.00 C ATOM 0 H VAL A 48 14.004 -9.029 10.405 1.00 0.00 H new ATOM 0 HA VAL A 48 14.529 -7.085 12.580 1.00 0.00 H new ATOM 0 HB VAL A 48 15.322 -6.793 9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.308 -4.633 10.519 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.547 -4.691 10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.651 -4.971 12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 48 17.660 -6.659 10.540 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.083 -7.064 12.174 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.928 -8.250 10.857 1.00 0.00 H new ATOM 683 N LYS A 49 12.309 -6.131 12.032 1.00 0.00 N ATOM 684 CA LYS A 49 10.930 -5.687 11.860 1.00 0.00 C ATOM 685 C LYS A 49 10.813 -4.219 12.246 1.00 0.00 C ATOM 686 O LYS A 49 11.250 -3.819 13.331 1.00 0.00 O ATOM 687 CB LYS A 49 9.997 -6.587 12.684 1.00 0.00 C ATOM 688 CG LYS A 49 8.526 -6.160 12.550 1.00 0.00 C ATOM 689 CD LYS A 49 7.557 -7.224 13.083 1.00 0.00 C ATOM 690 CE LYS A 49 6.108 -6.750 12.894 1.00 0.00 C ATOM 691 NZ LYS A 49 5.120 -7.737 13.399 1.00 0.00 N ATOM 0 H LYS A 49 12.721 -5.837 12.917 1.00 0.00 H new ATOM 0 HA LYS A 49 10.630 -5.772 10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.107 -7.621 12.356 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.291 -6.552 13.733 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.371 -5.227 13.092 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.302 -5.961 11.502 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.712 -8.166 12.558 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.753 -7.411 14.139 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.968 -5.802 13.413 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.924 -6.565 11.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.158 -7.372 13.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.234 -8.635 12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.276 -7.896 14.415 1.00 0.00 H new ATOM 705 N LYS A 50 10.198 -3.438 11.355 1.00 0.00 N ATOM 706 CA LYS A 50 10.039 -1.988 11.413 1.00 0.00 C ATOM 707 C LYS A 50 11.228 -1.283 12.073 1.00 0.00 C ATOM 708 O LYS A 50 11.049 -0.490 12.996 1.00 0.00 O ATOM 709 CB LYS A 50 8.677 -1.667 12.060 1.00 0.00 C ATOM 710 CG LYS A 50 8.174 -0.257 11.710 1.00 0.00 C ATOM 711 CD LYS A 50 6.777 -0.035 12.298 1.00 0.00 C ATOM 712 CE LYS A 50 6.294 1.390 11.992 1.00 0.00 C ATOM 713 NZ LYS A 50 4.937 1.653 12.535 1.00 0.00 N ATOM 0 H LYS A 50 9.769 -3.832 10.517 1.00 0.00 H new ATOM 0 HA LYS A 50 10.037 -1.583 10.401 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.942 -2.402 11.734 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.762 -1.760 13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.864 0.491 12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.146 -0.131 10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.079 -0.761 11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.798 -0.196 13.376 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.997 2.108 12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.288 1.546 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.653 2.627 12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.259 0.986 12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.947 1.531 13.568 1.00 0.00 H new ATOM 727 N SER A 51 12.448 -1.594 11.640 1.00 0.00 N ATOM 728 CA SER A 51 13.669 -1.082 12.248 1.00 0.00 C ATOM 729 C SER A 51 14.515 -0.425 11.165 1.00 0.00 C ATOM 730 O SER A 51 14.311 -0.683 9.978 1.00 0.00 O ATOM 731 CB SER A 51 14.417 -2.232 12.923 1.00 0.00 C ATOM 732 OG SER A 51 13.670 -2.775 13.997 1.00 0.00 O ATOM 0 H SER A 51 12.616 -2.215 10.849 1.00 0.00 H new ATOM 0 HA SER A 51 13.440 -0.337 13.010 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.624 -3.012 12.191 1.00 0.00 H new ATOM 0 HB3 SER A 51 15.379 -1.876 13.291 1.00 0.00 H new ATOM 0 HG SER A 51 12.781 -3.036 13.678 1.00 0.00 H new ATOM 738 N VAL A 52 15.466 0.415 11.564 1.00 0.00 N ATOM 739 CA VAL A 52 16.285 1.202 10.655 1.00 0.00 C ATOM 740 C VAL A 52 17.732 0.797 10.917 1.00 0.00 C ATOM 741 O VAL A 52 18.143 0.722 12.076 1.00 0.00 O ATOM 742 CB VAL A 52 16.022 2.709 10.869 1.00 0.00 C ATOM 743 CG1 VAL A 52 16.786 3.553 9.836 1.00 0.00 C ATOM 744 CG2 VAL A 52 14.525 3.053 10.757 1.00 0.00 C ATOM 0 H VAL A 52 15.691 0.569 12.547 1.00 0.00 H new ATOM 0 HA VAL A 52 16.044 1.013 9.609 1.00 0.00 H new ATOM 0 HB VAL A 52 16.369 2.941 11.876 1.00 0.00 H new ATOM 0 HG11 VAL A 52 16.584 4.610 10.009 1.00 0.00 H new ATOM 0 HG12 VAL A 52 17.856 3.367 9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 52 16.461 3.281 8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.385 4.122 10.914 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.162 2.781 9.766 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.967 2.499 11.512 1.00 0.00 H new ATOM 754 N THR A 53 18.510 0.515 9.876 1.00 0.00 N ATOM 755 CA THR A 53 19.872 0.032 10.047 1.00 0.00 C ATOM 756 C THR A 53 20.790 0.623 8.980 1.00 0.00 C ATOM 757 O THR A 53 20.403 0.765 7.815 1.00 0.00 O ATOM 758 CB THR A 53 19.867 -1.503 10.106 1.00 0.00 C ATOM 759 OG1 THR A 53 21.169 -1.996 10.326 1.00 0.00 O ATOM 760 CG2 THR A 53 19.346 -2.173 8.843 1.00 0.00 C ATOM 0 H THR A 53 18.217 0.614 8.904 1.00 0.00 H new ATOM 0 HA THR A 53 20.284 0.374 10.996 1.00 0.00 H new ATOM 0 HB THR A 53 19.193 -1.744 10.928 1.00 0.00 H new ATOM 0 HG1 THR A 53 21.146 -2.975 10.362 1.00 0.00 H new ATOM 0 HG21 THR A 53 19.376 -3.256 8.967 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.319 -1.857 8.660 1.00 0.00 H new ATOM 0 HG23 THR A 53 19.970 -1.887 7.996 1.00 0.00 H new ATOM 768 N THR A 54 22.004 0.973 9.405 1.00 0.00 N ATOM 769 CA THR A 54 23.029 1.590 8.591 1.00 0.00 C ATOM 770 C THR A 54 24.357 0.907 8.922 1.00 0.00 C ATOM 771 O THR A 54 24.889 1.069 10.024 1.00 0.00 O ATOM 772 CB THR A 54 23.072 3.108 8.856 1.00 0.00 C ATOM 773 OG1 THR A 54 21.782 3.689 8.766 1.00 0.00 O ATOM 774 CG2 THR A 54 23.977 3.825 7.849 1.00 0.00 C ATOM 0 H THR A 54 22.304 0.824 10.368 1.00 0.00 H new ATOM 0 HA THR A 54 22.819 1.465 7.529 1.00 0.00 H new ATOM 0 HB THR A 54 23.465 3.229 9.866 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.844 4.651 8.941 1.00 0.00 H new ATOM 0 HG21 THR A 54 23.985 4.894 8.064 1.00 0.00 H new ATOM 0 HG22 THR A 54 24.991 3.432 7.926 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.600 3.661 6.840 1.00 0.00 H new ATOM 782 N ASP A 55 24.903 0.185 7.941 1.00 0.00 N ATOM 783 CA ASP A 55 26.225 -0.433 7.956 1.00 0.00 C ATOM 784 C ASP A 55 26.453 -1.298 9.202 1.00 0.00 C ATOM 785 O ASP A 55 27.455 -1.154 9.905 1.00 0.00 O ATOM 786 CB ASP A 55 27.300 0.641 7.723 1.00 0.00 C ATOM 787 CG ASP A 55 28.678 0.022 7.454 1.00 0.00 C ATOM 788 OD1 ASP A 55 28.795 -0.785 6.503 1.00 0.00 O ATOM 789 OD2 ASP A 55 29.674 0.416 8.100 1.00 0.00 O ATOM 0 H ASP A 55 24.405 0.008 7.069 1.00 0.00 H new ATOM 0 HA ASP A 55 26.299 -1.141 7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 55 27.012 1.266 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 55 27.358 1.292 8.596 1.00 0.00 H new ATOM 794 N CYS A 56 25.494 -2.181 9.503 1.00 0.00 N ATOM 795 CA CYS A 56 25.514 -3.037 10.684 1.00 0.00 C ATOM 796 C CYS A 56 25.696 -4.498 10.279 1.00 0.00 C ATOM 797 O CYS A 56 25.533 -4.852 9.110 1.00 0.00 O ATOM 798 CB CYS A 56 24.208 -2.883 11.482 1.00 0.00 C ATOM 799 SG CYS A 56 24.014 -1.338 12.410 1.00 0.00 S ATOM 0 H CYS A 56 24.669 -2.320 8.919 1.00 0.00 H new ATOM 0 HA CYS A 56 26.352 -2.733 11.311 1.00 0.00 H new ATOM 0 HB2 CYS A 56 23.371 -2.974 10.790 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.135 -3.715 12.183 1.00 0.00 H new ATOM 804 N ASN A 57 25.967 -5.365 11.255 1.00 0.00 N ATOM 805 CA ASN A 57 25.957 -6.814 11.086 1.00 0.00 C ATOM 806 C ASN A 57 24.921 -7.332 12.062 1.00 0.00 C ATOM 807 O ASN A 57 24.923 -6.892 13.207 1.00 0.00 O ATOM 808 CB ASN A 57 27.328 -7.424 11.414 1.00 0.00 C ATOM 809 CG ASN A 57 27.254 -8.950 11.396 1.00 0.00 C ATOM 810 OD1 ASN A 57 27.401 -9.568 10.348 1.00 0.00 O ATOM 811 ND2 ASN A 57 26.999 -9.593 12.527 1.00 0.00 N ATOM 0 H ASN A 57 26.204 -5.072 12.203 1.00 0.00 H new ATOM 0 HA ASN A 57 25.729 -7.083 10.055 1.00 0.00 H new ATOM 0 HB2 ASN A 57 28.067 -7.082 10.690 1.00 0.00 H new ATOM 0 HB3 ASN A 57 27.660 -7.082 12.394 1.00 0.00 H new ATOM 0 HD21 ASN A 57 26.924 -10.610 12.530 1.00 0.00 H new ATOM 0 HD22 ASN A 57 26.878 -9.070 13.395 1.00 0.00 H new ATOM 818 N ILE A 58 24.056 -8.247 11.648 1.00 0.00 N ATOM 819 CA ILE A 58 22.976 -8.754 12.474 1.00 0.00 C ATOM 820 C ILE A 58 22.995 -10.268 12.284 1.00 0.00 C ATOM 821 O ILE A 58 22.531 -10.774 11.262 1.00 0.00 O ATOM 822 CB ILE A 58 21.637 -8.058 12.107 1.00 0.00 C ATOM 823 CG1 ILE A 58 21.752 -6.521 12.279 1.00 0.00 C ATOM 824 CG2 ILE A 58 20.495 -8.619 12.971 1.00 0.00 C ATOM 825 CD1 ILE A 58 20.458 -5.730 12.059 1.00 0.00 C ATOM 0 H ILE A 58 24.087 -8.662 10.717 1.00 0.00 H new ATOM 0 HA ILE A 58 23.096 -8.532 13.534 1.00 0.00 H new ATOM 0 HB ILE A 58 21.414 -8.263 11.060 1.00 0.00 H new ATOM 0 HG12 ILE A 58 22.117 -6.313 13.285 1.00 0.00 H new ATOM 0 HG13 ILE A 58 22.505 -6.151 11.583 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.561 -8.124 12.705 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.400 -9.691 12.797 1.00 0.00 H new ATOM 0 HG23 ILE A 58 20.714 -8.440 14.024 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.652 -4.667 12.204 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.097 -5.898 11.044 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.703 -6.062 12.772 1.00 0.00 H new ATOM 837 N ASP A 59 23.579 -10.987 13.245 1.00 0.00 N ATOM 838 CA ASP A 59 23.784 -12.428 13.159 1.00 0.00 C ATOM 839 C ASP A 59 22.878 -13.099 14.184 1.00 0.00 C ATOM 840 O ASP A 59 22.876 -12.692 15.345 1.00 0.00 O ATOM 841 CB ASP A 59 25.262 -12.731 13.432 1.00 0.00 C ATOM 842 CG ASP A 59 25.501 -14.222 13.676 1.00 0.00 C ATOM 843 OD1 ASP A 59 25.475 -15.008 12.703 1.00 0.00 O ATOM 844 OD2 ASP A 59 25.746 -14.608 14.840 1.00 0.00 O ATOM 0 H ASP A 59 23.925 -10.577 14.113 1.00 0.00 H new ATOM 0 HA ASP A 59 23.535 -12.809 12.169 1.00 0.00 H new ATOM 0 HB2 ASP A 59 25.863 -12.400 12.585 1.00 0.00 H new ATOM 0 HB3 ASP A 59 25.595 -12.163 14.300 1.00 0.00 H new ATOM 849 N LYS A 60 22.098 -14.104 13.774 1.00 0.00 N ATOM 850 CA LYS A 60 21.265 -14.948 14.647 1.00 0.00 C ATOM 851 C LYS A 60 20.338 -14.159 15.592 1.00 0.00 C ATOM 852 O LYS A 60 19.971 -14.669 16.652 1.00 0.00 O ATOM 853 CB LYS A 60 22.160 -15.954 15.405 1.00 0.00 C ATOM 854 CG LYS A 60 22.965 -16.868 14.469 1.00 0.00 C ATOM 855 CD LYS A 60 23.939 -17.755 15.258 1.00 0.00 C ATOM 856 CE LYS A 60 24.960 -18.428 14.330 1.00 0.00 C ATOM 857 NZ LYS A 60 26.010 -17.486 13.865 1.00 0.00 N ATOM 0 H LYS A 60 22.024 -14.364 12.791 1.00 0.00 H new ATOM 0 HA LYS A 60 20.579 -15.496 14.002 1.00 0.00 H new ATOM 0 HB2 LYS A 60 22.848 -15.406 16.048 1.00 0.00 H new ATOM 0 HB3 LYS A 60 21.537 -16.568 16.055 1.00 0.00 H new ATOM 0 HG2 LYS A 60 22.283 -17.495 13.894 1.00 0.00 H new ATOM 0 HG3 LYS A 60 23.520 -16.261 13.754 1.00 0.00 H new ATOM 0 HD2 LYS A 60 24.462 -17.153 16.001 1.00 0.00 H new ATOM 0 HD3 LYS A 60 23.381 -18.517 15.801 1.00 0.00 H new ATOM 0 HE2 LYS A 60 25.429 -19.261 14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 60 24.442 -18.846 13.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 26.665 -17.983 13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 25.566 -16.695 13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 26.535 -17.119 14.684 1.00 0.00 H new ATOM 871 N SER A 61 19.965 -12.927 15.241 1.00 0.00 N ATOM 872 CA SER A 61 19.275 -12.005 16.139 1.00 0.00 C ATOM 873 C SER A 61 17.837 -11.742 15.684 1.00 0.00 C ATOM 874 O SER A 61 17.466 -12.051 14.551 1.00 0.00 O ATOM 875 CB SER A 61 20.080 -10.703 16.217 1.00 0.00 C ATOM 876 OG SER A 61 21.378 -10.936 16.740 1.00 0.00 O ATOM 0 H SER A 61 20.137 -12.539 14.314 1.00 0.00 H new ATOM 0 HA SER A 61 19.208 -12.454 17.130 1.00 0.00 H new ATOM 0 HB2 SER A 61 20.159 -10.260 15.224 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.555 -9.984 16.846 1.00 0.00 H new ATOM 0 HG SER A 61 21.864 -11.547 16.148 1.00 0.00 H new ATOM 882 N GLN A 62 17.037 -11.127 16.554 1.00 0.00 N ATOM 883 CA GLN A 62 15.690 -10.650 16.270 1.00 0.00 C ATOM 884 C GLN A 62 15.645 -9.194 16.731 1.00 0.00 C ATOM 885 O GLN A 62 16.079 -8.881 17.843 1.00 0.00 O ATOM 886 CB GLN A 62 14.642 -11.510 16.992 1.00 0.00 C ATOM 887 CG GLN A 62 14.585 -12.961 16.489 1.00 0.00 C ATOM 888 CD GLN A 62 13.683 -13.845 17.355 1.00 0.00 C ATOM 889 OE1 GLN A 62 14.118 -14.869 17.879 1.00 0.00 O ATOM 890 NE2 GLN A 62 12.421 -13.491 17.543 1.00 0.00 N ATOM 0 H GLN A 62 17.324 -10.941 17.515 1.00 0.00 H new ATOM 0 HA GLN A 62 15.456 -10.722 15.208 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.860 -11.513 18.060 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.661 -11.052 16.868 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.221 -12.972 15.461 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.592 -13.378 16.475 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.059 -12.642 17.109 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.810 -14.067 18.122 1.00 0.00 H new ATOM 899 N VAL A 63 15.132 -8.311 15.879 1.00 0.00 N ATOM 900 CA VAL A 63 15.213 -6.867 16.047 1.00 0.00 C ATOM 901 C VAL A 63 13.836 -6.275 15.746 1.00 0.00 C ATOM 902 O VAL A 63 13.260 -6.589 14.700 1.00 0.00 O ATOM 903 CB VAL A 63 16.286 -6.342 15.062 1.00 0.00 C ATOM 904 CG1 VAL A 63 16.476 -4.825 15.152 1.00 0.00 C ATOM 905 CG2 VAL A 63 17.652 -7.034 15.216 1.00 0.00 C ATOM 0 H VAL A 63 14.636 -8.589 15.032 1.00 0.00 H new ATOM 0 HA VAL A 63 15.495 -6.583 17.061 1.00 0.00 H new ATOM 0 HB VAL A 63 15.891 -6.592 14.077 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.239 -4.511 14.440 1.00 0.00 H new ATOM 0 HG12 VAL A 63 15.535 -4.326 14.919 1.00 0.00 H new ATOM 0 HG13 VAL A 63 16.789 -4.557 16.161 1.00 0.00 H new ATOM 0 HG21 VAL A 63 18.355 -6.617 14.495 1.00 0.00 H new ATOM 0 HG22 VAL A 63 18.030 -6.873 16.226 1.00 0.00 H new ATOM 0 HG23 VAL A 63 17.540 -8.103 15.037 1.00 0.00 H new ATOM 915 N TYR A 64 13.322 -5.410 16.625 1.00 0.00 N ATOM 916 CA TYR A 64 11.994 -4.814 16.477 1.00 0.00 C ATOM 917 C TYR A 64 12.054 -3.326 16.816 1.00 0.00 C ATOM 918 O TYR A 64 12.602 -2.972 17.860 1.00 0.00 O ATOM 919 CB TYR A 64 11.007 -5.523 17.422 1.00 0.00 C ATOM 920 CG TYR A 64 10.927 -7.029 17.247 1.00 0.00 C ATOM 921 CD1 TYR A 64 10.007 -7.586 16.339 1.00 0.00 C ATOM 922 CD2 TYR A 64 11.787 -7.875 17.976 1.00 0.00 C ATOM 923 CE1 TYR A 64 9.978 -8.974 16.117 1.00 0.00 C ATOM 924 CE2 TYR A 64 11.757 -9.263 17.769 1.00 0.00 C ATOM 925 CZ TYR A 64 10.869 -9.819 16.820 1.00 0.00 C ATOM 926 OH TYR A 64 10.887 -11.162 16.583 1.00 0.00 O ATOM 0 H TYR A 64 13.818 -5.103 17.462 1.00 0.00 H new ATOM 0 HA TYR A 64 11.658 -4.931 15.447 1.00 0.00 H new ATOM 0 HB2 TYR A 64 11.292 -5.306 18.451 1.00 0.00 H new ATOM 0 HB3 TYR A 64 10.014 -5.101 17.270 1.00 0.00 H new ATOM 0 HD1 TYR A 64 9.319 -6.943 15.810 1.00 0.00 H new ATOM 0 HD2 TYR A 64 12.472 -7.454 18.697 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.277 -9.394 15.411 1.00 0.00 H new ATOM 0 HE2 TYR A 64 12.413 -9.907 18.336 1.00 0.00 H new ATOM 0 HH TYR A 64 10.629 -11.334 15.653 1.00 0.00 H new ATOM 936 N LEU A 65 11.454 -2.447 16.001 1.00 0.00 N ATOM 937 CA LEU A 65 11.330 -1.005 16.295 1.00 0.00 C ATOM 938 C LEU A 65 12.662 -0.340 16.715 1.00 0.00 C ATOM 939 O LEU A 65 12.662 0.628 17.476 1.00 0.00 O ATOM 940 CB LEU A 65 10.223 -0.787 17.355 1.00 0.00 C ATOM 941 CG LEU A 65 8.799 -1.156 16.899 1.00 0.00 C ATOM 942 CD1 LEU A 65 7.863 -1.199 18.111 1.00 0.00 C ATOM 943 CD2 LEU A 65 8.254 -0.146 15.883 1.00 0.00 C ATOM 0 H LEU A 65 11.036 -2.715 15.110 1.00 0.00 H new ATOM 0 HA LEU A 65 11.048 -0.508 15.367 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.468 -1.375 18.240 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.231 0.261 17.656 1.00 0.00 H new ATOM 0 HG LEU A 65 8.846 -2.135 16.422 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.856 -1.460 17.784 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.220 -1.946 18.820 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.846 -0.221 18.592 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.247 -0.438 15.584 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.225 0.845 16.335 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.902 -0.126 15.007 1.00 0.00 H new ATOM 955 N THR A 66 13.803 -0.844 16.244 1.00 0.00 N ATOM 956 CA THR A 66 15.132 -0.474 16.725 1.00 0.00 C ATOM 957 C THR A 66 15.900 0.309 15.647 1.00 0.00 C ATOM 958 O THR A 66 15.530 0.298 14.470 1.00 0.00 O ATOM 959 CB THR A 66 15.795 -1.785 17.202 1.00 0.00 C ATOM 960 OG1 THR A 66 15.147 -2.199 18.393 1.00 0.00 O ATOM 961 CG2 THR A 66 17.298 -1.773 17.494 1.00 0.00 C ATOM 0 H THR A 66 13.828 -1.539 15.498 1.00 0.00 H new ATOM 0 HA THR A 66 15.110 0.218 17.567 1.00 0.00 H new ATOM 0 HB THR A 66 15.682 -2.453 16.348 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.277 -2.592 18.172 1.00 0.00 H new ATOM 0 HG21 THR A 66 17.614 -2.765 17.818 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.842 -1.496 16.591 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.510 -1.049 18.281 1.00 0.00 H new ATOM 969 N THR A 67 16.966 1.002 16.047 1.00 0.00 N ATOM 970 CA THR A 67 17.810 1.806 15.173 1.00 0.00 C ATOM 971 C THR A 67 19.259 1.337 15.353 1.00 0.00 C ATOM 972 O THR A 67 19.733 1.227 16.485 1.00 0.00 O ATOM 973 CB THR A 67 17.622 3.296 15.511 1.00 0.00 C ATOM 974 OG1 THR A 67 16.249 3.650 15.462 1.00 0.00 O ATOM 975 CG2 THR A 67 18.373 4.207 14.534 1.00 0.00 C ATOM 0 H THR A 67 17.273 1.018 17.020 1.00 0.00 H new ATOM 0 HA THR A 67 17.538 1.683 14.125 1.00 0.00 H new ATOM 0 HB THR A 67 18.022 3.436 16.515 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.148 4.600 15.681 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.212 5.249 14.811 1.00 0.00 H new ATOM 0 HG22 THR A 67 19.439 3.982 14.573 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.003 4.039 13.522 1.00 0.00 H new ATOM 983 N CYS A 68 19.964 1.066 14.253 1.00 0.00 N ATOM 984 CA CYS A 68 21.308 0.505 14.261 1.00 0.00 C ATOM 985 C CYS A 68 22.207 1.351 13.366 1.00 0.00 C ATOM 986 O CYS A 68 21.868 1.591 12.205 1.00 0.00 O ATOM 987 CB CYS A 68 21.248 -0.949 13.769 1.00 0.00 C ATOM 988 SG CYS A 68 22.788 -1.885 13.954 1.00 0.00 S ATOM 0 H CYS A 68 19.605 1.236 13.314 1.00 0.00 H new ATOM 0 HA CYS A 68 21.720 0.512 15.270 1.00 0.00 H new ATOM 0 HB2 CYS A 68 20.458 -1.468 14.312 1.00 0.00 H new ATOM 0 HB3 CYS A 68 20.965 -0.949 12.716 1.00 0.00 H new ATOM 993 N THR A 69 23.370 1.748 13.879 1.00 0.00 N ATOM 994 CA THR A 69 24.366 2.499 13.135 1.00 0.00 C ATOM 995 C THR A 69 25.729 1.917 13.501 1.00 0.00 C ATOM 996 O THR A 69 26.098 1.914 14.678 1.00 0.00 O ATOM 997 CB THR A 69 24.254 3.995 13.493 1.00 0.00 C ATOM 998 OG1 THR A 69 22.920 4.457 13.340 1.00 0.00 O ATOM 999 CG2 THR A 69 25.164 4.855 12.607 1.00 0.00 C ATOM 0 H THR A 69 23.647 1.551 14.841 1.00 0.00 H new ATOM 0 HA THR A 69 24.219 2.421 12.058 1.00 0.00 H new ATOM 0 HB THR A 69 24.564 4.090 14.534 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.874 5.407 13.574 1.00 0.00 H new ATOM 0 HG21 THR A 69 25.059 5.903 12.887 1.00 0.00 H new ATOM 0 HG22 THR A 69 26.200 4.545 12.741 1.00 0.00 H new ATOM 0 HG23 THR A 69 24.880 4.729 11.562 1.00 0.00 H new ATOM 1007 N GLY A 70 26.472 1.405 12.515 1.00 0.00 N ATOM 1008 CA GLY A 70 27.848 0.939 12.692 1.00 0.00 C ATOM 1009 C GLY A 70 28.002 -0.099 13.808 1.00 0.00 C ATOM 1010 O GLY A 70 29.039 -0.133 14.472 1.00 0.00 O ATOM 0 H GLY A 70 26.129 1.302 11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 70 28.201 0.509 11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 70 28.488 1.794 12.911 1.00 0.00 H new ATOM 1014 N SER A 71 26.977 -0.916 14.047 1.00 0.00 N ATOM 1015 CA SER A 71 26.894 -1.800 15.199 1.00 0.00 C ATOM 1016 C SER A 71 26.769 -3.252 14.740 1.00 0.00 C ATOM 1017 O SER A 71 26.464 -3.532 13.578 1.00 0.00 O ATOM 1018 CB SER A 71 25.733 -1.347 16.093 1.00 0.00 C ATOM 1019 OG SER A 71 26.023 -0.072 16.641 1.00 0.00 O ATOM 0 H SER A 71 26.167 -0.980 13.430 1.00 0.00 H new ATOM 0 HA SER A 71 27.806 -1.745 15.793 1.00 0.00 H new ATOM 0 HB2 SER A 71 24.811 -1.304 15.514 1.00 0.00 H new ATOM 0 HB3 SER A 71 25.573 -2.070 16.893 1.00 0.00 H new ATOM 0 HG SER A 71 26.026 0.598 15.926 1.00 0.00 H new ATOM 1025 N GLN A 72 27.059 -4.191 15.633 1.00 0.00 N ATOM 1026 CA GLN A 72 27.179 -5.603 15.315 1.00 0.00 C ATOM 1027 C GLN A 72 26.353 -6.340 16.355 1.00 0.00 C ATOM 1028 O GLN A 72 26.614 -6.183 17.544 1.00 0.00 O ATOM 1029 CB GLN A 72 28.653 -6.067 15.348 1.00 0.00 C ATOM 1030 CG GLN A 72 29.617 -5.289 14.432 1.00 0.00 C ATOM 1031 CD GLN A 72 29.979 -3.894 14.960 1.00 0.00 C ATOM 1032 OE1 GLN A 72 30.269 -3.709 16.140 1.00 0.00 O ATOM 1033 NE2 GLN A 72 29.941 -2.883 14.106 1.00 0.00 N ATOM 0 H GLN A 72 27.220 -3.984 16.619 1.00 0.00 H new ATOM 0 HA GLN A 72 26.822 -5.807 14.306 1.00 0.00 H new ATOM 0 HB2 GLN A 72 29.016 -5.993 16.373 1.00 0.00 H new ATOM 0 HB3 GLN A 72 28.690 -7.121 15.072 1.00 0.00 H new ATOM 0 HG2 GLN A 72 30.531 -5.869 14.306 1.00 0.00 H new ATOM 0 HG3 GLN A 72 29.165 -5.188 13.445 1.00 0.00 H new ATOM 0 HE21 GLN A 72 29.699 -3.049 13.129 1.00 0.00 H new ATOM 0 HE22 GLN A 72 30.154 -1.938 14.425 1.00 0.00 H new ATOM 1042 N TYR A 73 25.360 -7.117 15.934 1.00 0.00 N ATOM 1043 CA TYR A 73 24.547 -7.934 16.817 1.00 0.00 C ATOM 1044 C TYR A 73 24.926 -9.379 16.527 1.00 0.00 C ATOM 1045 O TYR A 73 25.069 -9.750 15.359 1.00 0.00 O ATOM 1046 CB TYR A 73 23.047 -7.739 16.540 1.00 0.00 C ATOM 1047 CG TYR A 73 22.440 -6.346 16.633 1.00 0.00 C ATOM 1048 CD1 TYR A 73 23.123 -5.251 17.205 1.00 0.00 C ATOM 1049 CD2 TYR A 73 21.126 -6.162 16.158 1.00 0.00 C ATOM 1050 CE1 TYR A 73 22.513 -3.987 17.266 1.00 0.00 C ATOM 1051 CE2 TYR A 73 20.506 -4.904 16.224 1.00 0.00 C ATOM 1052 CZ TYR A 73 21.199 -3.807 16.776 1.00 0.00 C ATOM 1053 OH TYR A 73 20.582 -2.597 16.837 1.00 0.00 O ATOM 0 H TYR A 73 25.096 -7.195 14.952 1.00 0.00 H new ATOM 0 HA TYR A 73 24.724 -7.658 17.857 1.00 0.00 H new ATOM 0 HB2 TYR A 73 22.849 -8.115 15.536 1.00 0.00 H new ATOM 0 HB3 TYR A 73 22.501 -8.379 17.233 1.00 0.00 H new ATOM 0 HD1 TYR A 73 24.120 -5.386 17.598 1.00 0.00 H new ATOM 0 HD2 TYR A 73 20.589 -7.000 15.738 1.00 0.00 H new ATOM 0 HE1 TYR A 73 23.049 -3.150 17.688 1.00 0.00 H new ATOM 0 HE2 TYR A 73 19.500 -4.777 15.853 1.00 0.00 H new ATOM 0 HH TYR A 73 21.226 -1.915 17.121 1.00 0.00 H new ATOM 1063 N ASN A 74 25.055 -10.192 17.569 1.00 0.00 N ATOM 1064 CA ASN A 74 25.201 -11.633 17.465 1.00 0.00 C ATOM 1065 C ASN A 74 24.316 -12.260 18.543 1.00 0.00 C ATOM 1066 O ASN A 74 24.577 -12.082 19.734 1.00 0.00 O ATOM 1067 CB ASN A 74 26.676 -12.043 17.653 1.00 0.00 C ATOM 1068 CG ASN A 74 26.823 -13.439 18.260 1.00 0.00 C ATOM 1069 OD1 ASN A 74 27.202 -13.580 19.421 1.00 0.00 O ATOM 1070 ND2 ASN A 74 26.513 -14.492 17.521 1.00 0.00 N ATOM 0 H ASN A 74 25.061 -9.856 18.532 1.00 0.00 H new ATOM 0 HA ASN A 74 24.897 -11.981 16.478 1.00 0.00 H new ATOM 0 HB2 ASN A 74 27.183 -12.014 16.689 1.00 0.00 H new ATOM 0 HB3 ASN A 74 27.173 -11.317 18.296 1.00 0.00 H new ATOM 0 HD21 ASN A 74 26.588 -15.430 17.914 1.00 0.00 H new ATOM 0 HD22 ASN A 74 26.199 -14.365 16.559 1.00 0.00 H new ATOM 1077 N GLY A 75 23.294 -13.004 18.125 1.00 0.00 N ATOM 1078 CA GLY A 75 22.424 -13.764 19.007 1.00 0.00 C ATOM 1079 C GLY A 75 21.678 -12.891 20.014 1.00 0.00 C ATOM 1080 O GLY A 75 21.707 -13.202 21.209 1.00 0.00 O ATOM 0 H GLY A 75 23.046 -13.094 17.140 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.700 -14.315 18.407 1.00 0.00 H new ATOM 0 HA3 GLY A 75 23.018 -14.502 19.546 1.00 0.00 H new ATOM 1084 N ILE A 76 21.046 -11.801 19.563 1.00 0.00 N ATOM 1085 CA ILE A 76 20.376 -10.841 20.443 1.00 0.00 C ATOM 1086 C ILE A 76 18.878 -10.777 20.140 1.00 0.00 C ATOM 1087 O ILE A 76 18.446 -11.065 19.024 1.00 0.00 O ATOM 1088 CB ILE A 76 21.067 -9.445 20.431 1.00 0.00 C ATOM 1089 CG1 ILE A 76 20.472 -8.418 19.438 1.00 0.00 C ATOM 1090 CG2 ILE A 76 22.593 -9.567 20.224 1.00 0.00 C ATOM 1091 CD1 ILE A 76 21.039 -7.005 19.632 1.00 0.00 C ATOM 0 H ILE A 76 20.986 -11.561 18.574 1.00 0.00 H new ATOM 0 HA ILE A 76 20.475 -11.200 21.467 1.00 0.00 H new ATOM 0 HB ILE A 76 20.861 -9.043 21.423 1.00 0.00 H new ATOM 0 HG12 ILE A 76 20.672 -8.748 18.418 1.00 0.00 H new ATOM 0 HG13 ILE A 76 19.389 -8.389 19.557 1.00 0.00 H new ATOM 0 HG21 ILE A 76 23.040 -8.573 20.221 1.00 0.00 H new ATOM 0 HG22 ILE A 76 23.024 -10.157 21.033 1.00 0.00 H new ATOM 0 HG23 ILE A 76 22.793 -10.057 19.271 1.00 0.00 H new ATOM 0 HD11 ILE A 76 20.585 -6.328 18.908 1.00 0.00 H new ATOM 0 HD12 ILE A 76 20.816 -6.659 20.641 1.00 0.00 H new ATOM 0 HD13 ILE A 76 22.119 -7.023 19.485 1.00 0.00 H new ATOM 1103 N TYR A 77 18.100 -10.321 21.118 1.00 0.00 N ATOM 1104 CA TYR A 77 16.670 -10.101 21.013 1.00 0.00 C ATOM 1105 C TYR A 77 16.458 -8.671 21.500 1.00 0.00 C ATOM 1106 O TYR A 77 16.533 -8.409 22.706 1.00 0.00 O ATOM 1107 CB TYR A 77 15.915 -11.156 21.846 1.00 0.00 C ATOM 1108 CG TYR A 77 16.432 -12.581 21.688 1.00 0.00 C ATOM 1109 CD1 TYR A 77 16.275 -13.265 20.468 1.00 0.00 C ATOM 1110 CD2 TYR A 77 17.118 -13.203 22.750 1.00 0.00 C ATOM 1111 CE1 TYR A 77 16.805 -14.557 20.301 1.00 0.00 C ATOM 1112 CE2 TYR A 77 17.650 -14.495 22.594 1.00 0.00 C ATOM 1113 CZ TYR A 77 17.499 -15.178 21.366 1.00 0.00 C ATOM 1114 OH TYR A 77 18.025 -16.428 21.223 1.00 0.00 O ATOM 0 H TYR A 77 18.468 -10.087 22.040 1.00 0.00 H new ATOM 0 HA TYR A 77 16.282 -10.211 20.000 1.00 0.00 H new ATOM 0 HB2 TYR A 77 15.973 -10.878 22.898 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.861 -11.133 21.567 1.00 0.00 H new ATOM 0 HD1 TYR A 77 15.744 -12.794 19.654 1.00 0.00 H new ATOM 0 HD2 TYR A 77 17.236 -12.684 23.690 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.682 -15.074 19.361 1.00 0.00 H new ATOM 0 HE2 TYR A 77 18.174 -14.966 23.413 1.00 0.00 H new ATOM 0 HH TYR A 77 18.467 -16.694 22.056 1.00 0.00 H new ATOM 1124 N ILE A 78 16.253 -7.731 20.579 1.00 0.00 N ATOM 1125 CA ILE A 78 16.259 -6.304 20.888 1.00 0.00 C ATOM 1126 C ILE A 78 14.954 -5.656 20.437 1.00 0.00 C ATOM 1127 O ILE A 78 14.482 -5.920 19.323 1.00 0.00 O ATOM 1128 CB ILE A 78 17.538 -5.643 20.317 1.00 0.00 C ATOM 1129 CG1 ILE A 78 17.644 -4.162 20.734 1.00 0.00 C ATOM 1130 CG2 ILE A 78 17.642 -5.781 18.789 1.00 0.00 C ATOM 1131 CD1 ILE A 78 19.058 -3.585 20.549 1.00 0.00 C ATOM 0 H ILE A 78 16.078 -7.939 19.596 1.00 0.00 H new ATOM 0 HA ILE A 78 16.301 -6.149 21.966 1.00 0.00 H new ATOM 0 HB ILE A 78 18.379 -6.184 20.750 1.00 0.00 H new ATOM 0 HG12 ILE A 78 16.938 -3.574 20.148 1.00 0.00 H new ATOM 0 HG13 ILE A 78 17.351 -4.063 21.779 1.00 0.00 H new ATOM 0 HG21 ILE A 78 18.557 -5.300 18.442 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.662 -6.837 18.520 1.00 0.00 H new ATOM 0 HG23 ILE A 78 16.781 -5.304 18.321 1.00 0.00 H new ATOM 0 HD11 ILE A 78 19.068 -2.540 20.860 1.00 0.00 H new ATOM 0 HD12 ILE A 78 19.764 -4.151 21.156 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.345 -3.654 19.500 1.00 0.00 H new ATOM 1143 N ARG A 79 14.377 -4.788 21.283 1.00 0.00 N ATOM 1144 CA ARG A 79 13.248 -3.965 20.857 1.00 0.00 C ATOM 1145 C ARG A 79 13.348 -2.518 21.310 1.00 0.00 C ATOM 1146 O ARG A 79 13.852 -2.226 22.402 1.00 0.00 O ATOM 1147 CB ARG A 79 11.873 -4.591 21.177 1.00 0.00 C ATOM 1148 CG ARG A 79 11.369 -4.507 22.629 1.00 0.00 C ATOM 1149 CD ARG A 79 12.124 -5.402 23.613 1.00 0.00 C ATOM 1150 NE ARG A 79 12.014 -6.831 23.262 1.00 0.00 N ATOM 1151 CZ ARG A 79 12.984 -7.745 23.375 1.00 0.00 C ATOM 1152 NH1 ARG A 79 14.153 -7.433 23.921 1.00 0.00 N ATOM 1153 NH2 ARG A 79 12.782 -8.980 22.925 1.00 0.00 N ATOM 0 H ARG A 79 14.671 -4.643 22.249 1.00 0.00 H new ATOM 0 HA ARG A 79 13.318 -3.942 19.770 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.131 -4.115 20.536 1.00 0.00 H new ATOM 0 HB3 ARG A 79 11.910 -5.643 20.895 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.443 -3.473 22.967 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.313 -4.775 22.650 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.175 -5.114 23.631 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.733 -5.245 24.618 1.00 0.00 H new ATOM 0 HE ARG A 79 11.116 -7.151 22.900 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.321 -6.486 24.261 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.884 -8.140 24.001 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.890 -9.227 22.496 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.519 -9.680 23.009 1.00 0.00 H new ATOM 1167 N SER A 80 12.798 -1.635 20.478 1.00 0.00 N ATOM 1168 CA SER A 80 12.586 -0.222 20.759 1.00 0.00 C ATOM 1169 C SER A 80 13.868 0.503 21.204 1.00 0.00 C ATOM 1170 O SER A 80 13.796 1.436 22.007 1.00 0.00 O ATOM 1171 CB SER A 80 11.424 -0.092 21.753 1.00 0.00 C ATOM 1172 OG SER A 80 10.294 -0.830 21.306 1.00 0.00 O ATOM 0 H SER A 80 12.474 -1.901 19.548 1.00 0.00 H new ATOM 0 HA SER A 80 12.311 0.291 19.837 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.736 -0.453 22.733 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.155 0.958 21.871 1.00 0.00 H new ATOM 0 HG SER A 80 9.565 -0.736 21.954 1.00 0.00 H new ATOM 1178 N SER A 81 15.036 0.081 20.710 1.00 0.00 N ATOM 1179 CA SER A 81 16.336 0.526 21.206 1.00 0.00 C ATOM 1180 C SER A 81 17.179 1.184 20.103 1.00 0.00 C ATOM 1181 O SER A 81 16.778 1.215 18.937 1.00 0.00 O ATOM 1182 CB SER A 81 17.044 -0.683 21.826 1.00 0.00 C ATOM 1183 OG SER A 81 16.322 -1.172 22.944 1.00 0.00 O ATOM 0 H SER A 81 15.103 -0.589 19.944 1.00 0.00 H new ATOM 0 HA SER A 81 16.196 1.298 21.963 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.146 -1.472 21.081 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.051 -0.402 22.133 1.00 0.00 H new ATOM 0 HG SER A 81 15.525 -1.651 22.635 1.00 0.00 H new ATOM 1189 N THR A 82 18.350 1.712 20.464 1.00 0.00 N ATOM 1190 CA THR A 82 19.282 2.361 19.548 1.00 0.00 C ATOM 1191 C THR A 82 20.704 1.895 19.880 1.00 0.00 C ATOM 1192 O THR A 82 21.076 1.834 21.055 1.00 0.00 O ATOM 1193 CB THR A 82 19.131 3.891 19.667 1.00 0.00 C ATOM 1194 OG1 THR A 82 17.797 4.290 19.405 1.00 0.00 O ATOM 1195 CG2 THR A 82 20.037 4.651 18.691 1.00 0.00 C ATOM 0 H THR A 82 18.683 1.698 21.428 1.00 0.00 H new ATOM 0 HA THR A 82 19.068 2.088 18.515 1.00 0.00 H new ATOM 0 HB THR A 82 19.419 4.136 20.690 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.725 5.264 19.488 1.00 0.00 H new ATOM 0 HG21 THR A 82 19.890 5.724 18.818 1.00 0.00 H new ATOM 0 HG22 THR A 82 21.079 4.401 18.892 1.00 0.00 H new ATOM 0 HG23 THR A 82 19.787 4.369 17.668 1.00 0.00 H new ATOM 1203 N THR A 83 21.512 1.602 18.862 1.00 0.00 N ATOM 1204 CA THR A 83 22.894 1.158 19.011 1.00 0.00 C ATOM 1205 C THR A 83 23.750 1.924 17.996 1.00 0.00 C ATOM 1206 O THR A 83 23.407 1.958 16.808 1.00 0.00 O ATOM 1207 CB THR A 83 22.967 -0.368 18.813 1.00 0.00 C ATOM 1208 OG1 THR A 83 22.331 -0.735 17.607 1.00 0.00 O ATOM 1209 CG2 THR A 83 22.294 -1.140 19.955 1.00 0.00 C ATOM 0 H THR A 83 21.215 1.669 17.888 1.00 0.00 H new ATOM 0 HA THR A 83 23.276 1.367 20.010 1.00 0.00 H new ATOM 0 HB THR A 83 24.026 -0.625 18.792 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.977 -1.179 17.018 1.00 0.00 H new ATOM 0 HG21 THR A 83 22.373 -2.211 19.767 1.00 0.00 H new ATOM 0 HG22 THR A 83 22.787 -0.900 20.897 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.242 -0.859 20.014 1.00 0.00 H new ATOM 1217 N THR A 84 24.837 2.545 18.456 1.00 0.00 N ATOM 1218 CA THR A 84 25.687 3.412 17.657 1.00 0.00 C ATOM 1219 C THR A 84 27.152 3.058 17.938 1.00 0.00 C ATOM 1220 O THR A 84 27.666 3.317 19.030 1.00 0.00 O ATOM 1221 CB THR A 84 25.369 4.886 17.976 1.00 0.00 C ATOM 1222 OG1 THR A 84 23.976 5.140 17.906 1.00 0.00 O ATOM 1223 CG2 THR A 84 26.066 5.838 16.999 1.00 0.00 C ATOM 0 H THR A 84 25.154 2.453 19.421 1.00 0.00 H new ATOM 0 HA THR A 84 25.501 3.266 16.593 1.00 0.00 H new ATOM 0 HB THR A 84 25.733 5.062 18.988 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.804 6.082 18.115 1.00 0.00 H new ATOM 0 HG21 THR A 84 25.818 6.868 17.255 1.00 0.00 H new ATOM 0 HG22 THR A 84 27.145 5.698 17.062 1.00 0.00 H new ATOM 0 HG23 THR A 84 25.731 5.626 15.983 1.00 0.00 H new ATOM 1231 N GLY A 85 27.841 2.487 16.946 1.00 0.00 N ATOM 1232 CA GLY A 85 29.233 2.083 17.080 1.00 0.00 C ATOM 1233 C GLY A 85 29.399 1.067 18.207 1.00 0.00 C ATOM 1234 O GLY A 85 30.253 1.257 19.075 1.00 0.00 O ATOM 0 H GLY A 85 27.443 2.294 16.027 1.00 0.00 H new ATOM 0 HA2 GLY A 85 29.583 1.652 16.142 1.00 0.00 H new ATOM 0 HA3 GLY A 85 29.852 2.958 17.279 1.00 0.00 H new ATOM 1238 N THR A 86 28.586 0.013 18.223 1.00 0.00 N ATOM 1239 CA THR A 86 28.489 -0.904 19.354 1.00 0.00 C ATOM 1240 C THR A 86 28.433 -2.359 18.897 1.00 0.00 C ATOM 1241 O THR A 86 27.620 -2.717 18.046 1.00 0.00 O ATOM 1242 CB THR A 86 27.232 -0.554 20.179 1.00 0.00 C ATOM 1243 OG1 THR A 86 26.223 0.124 19.453 1.00 0.00 O ATOM 1244 CG2 THR A 86 27.575 0.360 21.343 1.00 0.00 C ATOM 0 H THR A 86 27.972 -0.230 17.445 1.00 0.00 H new ATOM 0 HA THR A 86 29.382 -0.792 19.969 1.00 0.00 H new ATOM 0 HB THR A 86 26.859 -1.527 20.499 1.00 0.00 H new ATOM 0 HG1 THR A 86 26.232 -0.178 18.521 1.00 0.00 H new ATOM 0 HG21 THR A 86 26.670 0.589 21.905 1.00 0.00 H new ATOM 0 HG22 THR A 86 28.292 -0.137 21.997 1.00 0.00 H new ATOM 0 HG23 THR A 86 28.010 1.285 20.964 1.00 0.00 H new ATOM 1252 N SER A 87 29.254 -3.216 19.494 1.00 0.00 N ATOM 1253 CA SER A 87 29.155 -4.655 19.313 1.00 0.00 C ATOM 1254 C SER A 87 28.333 -5.197 20.484 1.00 0.00 C ATOM 1255 O SER A 87 28.540 -4.787 21.630 1.00 0.00 O ATOM 1256 CB SER A 87 30.549 -5.286 19.256 1.00 0.00 C ATOM 1257 OG SER A 87 31.446 -4.513 18.473 1.00 0.00 O ATOM 0 H SER A 87 30.008 -2.929 20.118 1.00 0.00 H new ATOM 0 HA SER A 87 28.667 -4.902 18.370 1.00 0.00 H new ATOM 0 HB2 SER A 87 30.944 -5.387 20.267 1.00 0.00 H new ATOM 0 HB3 SER A 87 30.476 -6.291 18.840 1.00 0.00 H new ATOM 0 HG SER A 87 31.008 -4.252 17.636 1.00 0.00 H new ATOM 1263 N ILE A 88 27.407 -6.105 20.195 1.00 0.00 N ATOM 1264 CA ILE A 88 26.419 -6.657 21.104 1.00 0.00 C ATOM 1265 C ILE A 88 26.476 -8.168 20.843 1.00 0.00 C ATOM 1266 O ILE A 88 26.068 -8.618 19.767 1.00 0.00 O ATOM 1267 CB ILE A 88 25.007 -6.086 20.795 1.00 0.00 C ATOM 1268 CG1 ILE A 88 24.882 -4.588 20.422 1.00 0.00 C ATOM 1269 CG2 ILE A 88 24.076 -6.434 21.958 1.00 0.00 C ATOM 1270 CD1 ILE A 88 25.159 -3.574 21.533 1.00 0.00 C ATOM 0 H ILE A 88 27.325 -6.498 19.257 1.00 0.00 H new ATOM 0 HA ILE A 88 26.619 -6.409 22.146 1.00 0.00 H new ATOM 0 HB ILE A 88 24.722 -6.570 19.861 1.00 0.00 H new ATOM 0 HG12 ILE A 88 25.567 -4.385 19.599 1.00 0.00 H new ATOM 0 HG13 ILE A 88 23.873 -4.414 20.048 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.080 -6.040 21.757 1.00 0.00 H new ATOM 0 HG22 ILE A 88 24.022 -7.517 22.070 1.00 0.00 H new ATOM 0 HG23 ILE A 88 24.462 -5.993 22.877 1.00 0.00 H new ATOM 0 HD11 ILE A 88 25.038 -2.564 21.142 1.00 0.00 H new ATOM 0 HD12 ILE A 88 24.459 -3.732 22.353 1.00 0.00 H new ATOM 0 HD13 ILE A 88 26.178 -3.702 21.897 1.00 0.00 H new ATOM 1282 N SER A 89 26.994 -8.950 21.791 1.00 0.00 N ATOM 1283 CA SER A 89 27.298 -10.358 21.548 1.00 0.00 C ATOM 1284 C SER A 89 26.893 -11.225 22.735 1.00 0.00 C ATOM 1285 O SER A 89 26.965 -10.796 23.891 1.00 0.00 O ATOM 1286 CB SER A 89 28.799 -10.512 21.259 1.00 0.00 C ATOM 1287 OG SER A 89 29.221 -9.664 20.200 1.00 0.00 O ATOM 0 H SER A 89 27.212 -8.630 22.735 1.00 0.00 H new ATOM 0 HA SER A 89 26.724 -10.694 20.685 1.00 0.00 H new ATOM 0 HB2 SER A 89 29.368 -10.280 22.159 1.00 0.00 H new ATOM 0 HB3 SER A 89 29.016 -11.549 21.003 1.00 0.00 H new ATOM 0 HG SER A 89 30.181 -9.787 20.045 1.00 0.00 H new ATOM 1321 N CYS A 93 21.611 -12.328 24.486 1.00 0.00 N ATOM 1322 CA CYS A 93 21.371 -10.921 24.772 1.00 0.00 C ATOM 1323 C CYS A 93 19.894 -10.598 24.625 1.00 0.00 C ATOM 1324 O CYS A 93 19.272 -10.951 23.624 1.00 0.00 O ATOM 1325 CB CYS A 93 22.131 -10.060 23.760 1.00 0.00 C ATOM 1326 SG CYS A 93 23.917 -9.925 23.933 1.00 0.00 S ATOM 0 HA CYS A 93 21.703 -10.717 25.790 1.00 0.00 H new ATOM 0 HB2 CYS A 93 21.921 -10.452 22.765 1.00 0.00 H new ATOM 0 HB3 CYS A 93 21.715 -9.053 23.800 1.00 0.00 H new ATOM 1331 N SER A 94 19.393 -9.798 25.552 1.00 0.00 N ATOM 1332 CA SER A 94 18.047 -9.269 25.550 1.00 0.00 C ATOM 1333 C SER A 94 18.183 -7.791 25.890 1.00 0.00 C ATOM 1334 O SER A 94 18.808 -7.471 26.902 1.00 0.00 O ATOM 1335 CB SER A 94 17.247 -10.036 26.604 1.00 0.00 C ATOM 1336 OG SER A 94 16.977 -11.358 26.166 1.00 0.00 O ATOM 0 H SER A 94 19.938 -9.490 26.357 1.00 0.00 H new ATOM 0 HA SER A 94 17.529 -9.377 24.597 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.804 -10.065 27.540 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.310 -9.516 26.806 1.00 0.00 H new ATOM 0 HG SER A 94 16.466 -11.833 26.854 1.00 0.00 H new ATOM 1342 N ILE A 95 17.671 -6.896 25.038 1.00 0.00 N ATOM 1343 CA ILE A 95 17.815 -5.446 25.196 1.00 0.00 C ATOM 1344 C ILE A 95 16.460 -4.809 24.892 1.00 0.00 C ATOM 1345 O ILE A 95 15.815 -5.146 23.895 1.00 0.00 O ATOM 1346 CB ILE A 95 18.942 -4.900 24.279 1.00 0.00 C ATOM 1347 CG1 ILE A 95 20.316 -5.468 24.696 1.00 0.00 C ATOM 1348 CG2 ILE A 95 19.000 -3.358 24.311 1.00 0.00 C ATOM 1349 CD1 ILE A 95 21.467 -5.120 23.751 1.00 0.00 C ATOM 0 H ILE A 95 17.139 -7.162 24.210 1.00 0.00 H new ATOM 0 HA ILE A 95 18.109 -5.196 26.215 1.00 0.00 H new ATOM 0 HB ILE A 95 18.710 -5.222 23.264 1.00 0.00 H new ATOM 0 HG12 ILE A 95 20.559 -5.099 25.693 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.238 -6.553 24.768 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.800 -3.010 23.658 1.00 0.00 H new ATOM 0 HG22 ILE A 95 18.049 -2.951 23.968 1.00 0.00 H new ATOM 0 HG23 ILE A 95 19.192 -3.022 25.330 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.391 -5.561 24.125 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.253 -5.513 22.757 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.578 -4.037 23.697 1.00 0.00 H new ATOM 1361 N SER A 96 16.029 -3.869 25.726 1.00 0.00 N ATOM 1362 CA SER A 96 14.722 -3.252 25.589 1.00 0.00 C ATOM 1363 C SER A 96 14.824 -1.775 25.943 1.00 0.00 C ATOM 1364 O SER A 96 15.435 -1.424 26.960 1.00 0.00 O ATOM 1365 CB SER A 96 13.725 -3.982 26.497 1.00 0.00 C ATOM 1366 OG SER A 96 13.743 -5.382 26.245 1.00 0.00 O ATOM 0 H SER A 96 16.576 -3.517 26.512 1.00 0.00 H new ATOM 0 HA SER A 96 14.367 -3.329 24.561 1.00 0.00 H new ATOM 0 HB2 SER A 96 13.972 -3.793 27.542 1.00 0.00 H new ATOM 0 HB3 SER A 96 12.721 -3.591 26.331 1.00 0.00 H new ATOM 0 HG SER A 96 13.101 -5.829 26.836 1.00 0.00 H new ATOM 1372 N THR A 97 14.201 -0.940 25.104 1.00 0.00 N ATOM 1373 CA THR A 97 14.035 0.502 25.304 1.00 0.00 C ATOM 1374 C THR A 97 15.333 1.213 25.742 1.00 0.00 C ATOM 1375 O THR A 97 15.309 2.113 26.584 1.00 0.00 O ATOM 1376 CB THR A 97 12.796 0.773 26.192 1.00 0.00 C ATOM 1377 OG1 THR A 97 12.732 -0.087 27.311 1.00 0.00 O ATOM 1378 CG2 THR A 97 11.494 0.552 25.419 1.00 0.00 C ATOM 0 H THR A 97 13.782 -1.264 24.232 1.00 0.00 H new ATOM 0 HA THR A 97 13.829 0.968 24.340 1.00 0.00 H new ATOM 0 HB THR A 97 12.903 1.809 26.512 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.463 0.125 27.928 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.645 0.751 26.072 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.460 1.227 24.564 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.449 -0.479 25.069 1.00 0.00 H new ATOM 1386 N CYS A 98 16.478 0.806 25.182 1.00 0.00 N ATOM 1387 CA CYS A 98 17.801 1.248 25.606 1.00 0.00 C ATOM 1388 C CYS A 98 18.483 2.037 24.486 1.00 0.00 C ATOM 1389 O CYS A 98 18.139 1.888 23.314 1.00 0.00 O ATOM 1390 CB CYS A 98 18.635 0.011 25.973 1.00 0.00 C ATOM 1391 SG CYS A 98 20.161 0.389 26.873 1.00 0.00 S ATOM 0 H CYS A 98 16.505 0.146 24.405 1.00 0.00 H new ATOM 0 HA CYS A 98 17.711 1.903 26.472 1.00 0.00 H new ATOM 0 HB2 CYS A 98 18.025 -0.659 26.579 1.00 0.00 H new ATOM 0 HB3 CYS A 98 18.888 -0.527 25.060 1.00 0.00 H new ATOM 1396 N THR A 99 19.499 2.826 24.823 1.00 0.00 N ATOM 1397 CA THR A 99 20.382 3.467 23.864 1.00 0.00 C ATOM 1398 C THR A 99 21.800 3.091 24.290 1.00 0.00 C ATOM 1399 O THR A 99 22.111 3.099 25.482 1.00 0.00 O ATOM 1400 CB THR A 99 20.118 4.982 23.848 1.00 0.00 C ATOM 1401 OG1 THR A 99 18.786 5.237 23.441 1.00 0.00 O ATOM 1402 CG2 THR A 99 21.054 5.737 22.896 1.00 0.00 C ATOM 0 H THR A 99 19.733 3.040 25.792 1.00 0.00 H new ATOM 0 HA THR A 99 20.218 3.138 22.838 1.00 0.00 H new ATOM 0 HB THR A 99 20.298 5.336 24.863 1.00 0.00 H new ATOM 0 HG1 THR A 99 18.625 6.204 23.435 1.00 0.00 H new ATOM 0 HG21 THR A 99 20.822 6.802 22.926 1.00 0.00 H new ATOM 0 HG22 THR A 99 22.088 5.582 23.204 1.00 0.00 H new ATOM 0 HG23 THR A 99 20.918 5.364 21.881 1.00 0.00 H new ATOM 1410 N ILE A 100 22.657 2.724 23.338 1.00 0.00 N ATOM 1411 CA ILE A 100 24.022 2.292 23.608 1.00 0.00 C ATOM 1412 C ILE A 100 24.893 2.958 22.546 1.00 0.00 C ATOM 1413 O ILE A 100 24.565 2.912 21.359 1.00 0.00 O ATOM 1414 CB ILE A 100 24.145 0.742 23.605 1.00 0.00 C ATOM 1415 CG1 ILE A 100 22.957 0.031 24.305 1.00 0.00 C ATOM 1416 CG2 ILE A 100 25.465 0.317 24.281 1.00 0.00 C ATOM 1417 CD1 ILE A 100 23.056 -1.498 24.360 1.00 0.00 C ATOM 0 H ILE A 100 22.417 2.719 22.347 1.00 0.00 H new ATOM 0 HA ILE A 100 24.346 2.590 24.605 1.00 0.00 H new ATOM 0 HB ILE A 100 24.132 0.433 22.560 1.00 0.00 H new ATOM 0 HG12 ILE A 100 22.875 0.411 25.323 1.00 0.00 H new ATOM 0 HG13 ILE A 100 22.036 0.302 23.788 1.00 0.00 H new ATOM 0 HG21 ILE A 100 25.543 -0.770 24.275 1.00 0.00 H new ATOM 0 HG22 ILE A 100 26.307 0.745 23.736 1.00 0.00 H new ATOM 0 HG23 ILE A 100 25.479 0.676 25.310 1.00 0.00 H new ATOM 0 HD11 ILE A 100 22.180 -1.901 24.868 1.00 0.00 H new ATOM 0 HD12 ILE A 100 23.103 -1.896 23.346 1.00 0.00 H new ATOM 0 HD13 ILE A 100 23.955 -1.785 24.905 1.00 0.00 H new ATOM 1429 N THR A 101 25.992 3.581 22.969 1.00 0.00 N ATOM 1430 CA THR A 101 26.921 4.274 22.088 1.00 0.00 C ATOM 1431 C THR A 101 28.335 3.908 22.534 1.00 0.00 C ATOM 1432 O THR A 101 28.626 3.958 23.729 1.00 0.00 O ATOM 1433 CB THR A 101 26.668 5.793 22.145 1.00 0.00 C ATOM 1434 OG1 THR A 101 25.316 6.091 21.845 1.00 0.00 O ATOM 1435 CG2 THR A 101 27.545 6.569 21.155 1.00 0.00 C ATOM 0 H THR A 101 26.263 3.617 23.952 1.00 0.00 H new ATOM 0 HA THR A 101 26.784 3.974 21.049 1.00 0.00 H new ATOM 0 HB THR A 101 26.916 6.099 23.161 1.00 0.00 H new ATOM 0 HG1 THR A 101 25.177 7.060 21.888 1.00 0.00 H new ATOM 0 HG21 THR A 101 27.328 7.634 21.235 1.00 0.00 H new ATOM 0 HG22 THR A 101 28.596 6.394 21.385 1.00 0.00 H new ATOM 0 HG23 THR A 101 27.335 6.231 20.140 1.00 0.00 H new ATOM 1443 N ARG A 102 29.206 3.526 21.589 1.00 0.00 N ATOM 1444 CA ARG A 102 30.602 3.126 21.824 1.00 0.00 C ATOM 1445 C ARG A 102 30.791 2.304 23.110 1.00 0.00 C ATOM 1446 O ARG A 102 31.630 2.621 23.954 1.00 0.00 O ATOM 1447 CB ARG A 102 31.531 4.351 21.748 1.00 0.00 C ATOM 1448 CG ARG A 102 31.529 4.976 20.338 1.00 0.00 C ATOM 1449 CD ARG A 102 32.793 5.799 20.025 1.00 0.00 C ATOM 1450 NE ARG A 102 34.044 5.019 20.150 1.00 0.00 N ATOM 1451 CZ ARG A 102 34.408 3.954 19.420 1.00 0.00 C ATOM 1452 NH1 ARG A 102 33.705 3.544 18.372 1.00 0.00 N ATOM 1453 NH2 ARG A 102 35.484 3.247 19.733 1.00 0.00 N ATOM 0 H ARG A 102 28.948 3.485 20.603 1.00 0.00 H new ATOM 0 HA ARG A 102 30.886 2.444 21.022 1.00 0.00 H new ATOM 0 HB2 ARG A 102 31.213 5.096 22.478 1.00 0.00 H new ATOM 0 HB3 ARG A 102 32.546 4.056 22.015 1.00 0.00 H new ATOM 0 HG2 ARG A 102 31.431 4.182 19.598 1.00 0.00 H new ATOM 0 HG3 ARG A 102 30.654 5.617 20.235 1.00 0.00 H new ATOM 0 HD2 ARG A 102 32.719 6.195 19.012 1.00 0.00 H new ATOM 0 HD3 ARG A 102 32.837 6.655 20.699 1.00 0.00 H new ATOM 0 HE ARG A 102 34.700 5.324 20.869 1.00 0.00 H new ATOM 0 HH11 ARG A 102 32.858 4.043 18.099 1.00 0.00 H new ATOM 0 HH12 ARG A 102 34.011 2.730 17.839 1.00 0.00 H new ATOM 0 HH21 ARG A 102 36.050 3.510 20.540 1.00 0.00 H new ATOM 0 HH22 ARG A 102 35.746 2.440 19.167 1.00 0.00 H new ATOM 1467 N GLY A 103 29.992 1.247 23.271 1.00 0.00 N ATOM 1468 CA GLY A 103 30.131 0.282 24.356 1.00 0.00 C ATOM 1469 C GLY A 103 29.518 0.732 25.686 1.00 0.00 C ATOM 1470 O GLY A 103 29.638 -0.006 26.664 1.00 0.00 O ATOM 0 H GLY A 103 29.219 1.037 22.639 1.00 0.00 H new ATOM 0 HA2 GLY A 103 29.665 -0.656 24.054 1.00 0.00 H new ATOM 0 HA3 GLY A 103 31.190 0.076 24.509 1.00 0.00 H new ATOM 1474 N VAL A 104 28.854 1.893 25.751 1.00 0.00 N ATOM 1475 CA VAL A 104 28.288 2.441 26.983 1.00 0.00 C ATOM 1476 C VAL A 104 26.780 2.611 26.777 1.00 0.00 C ATOM 1477 O VAL A 104 26.350 3.311 25.857 1.00 0.00 O ATOM 1478 CB VAL A 104 29.006 3.764 27.343 1.00 0.00 C ATOM 1479 CG1 VAL A 104 28.480 4.352 28.662 1.00 0.00 C ATOM 1480 CG2 VAL A 104 30.527 3.570 27.487 1.00 0.00 C ATOM 0 H VAL A 104 28.694 2.484 24.935 1.00 0.00 H new ATOM 0 HA VAL A 104 28.440 1.770 27.828 1.00 0.00 H new ATOM 0 HB VAL A 104 28.798 4.448 26.520 1.00 0.00 H new ATOM 0 HG11 VAL A 104 29.007 5.280 28.882 1.00 0.00 H new ATOM 0 HG12 VAL A 104 27.413 4.554 28.570 1.00 0.00 H new ATOM 0 HG13 VAL A 104 28.646 3.640 29.470 1.00 0.00 H new ATOM 0 HG21 VAL A 104 30.993 4.522 27.740 1.00 0.00 H new ATOM 0 HG22 VAL A 104 30.728 2.846 28.277 1.00 0.00 H new ATOM 0 HG23 VAL A 104 30.938 3.204 26.546 1.00 0.00 H new ATOM 1490 N ALA A 105 25.975 1.940 27.608 1.00 0.00 N ATOM 1491 CA ALA A 105 24.526 2.114 27.639 1.00 0.00 C ATOM 1492 C ALA A 105 24.174 3.412 28.375 1.00 0.00 C ATOM 1493 O ALA A 105 24.889 3.819 29.295 1.00 0.00 O ATOM 1494 CB ALA A 105 23.875 0.913 28.334 1.00 0.00 C ATOM 0 H ALA A 105 26.318 1.256 28.282 1.00 0.00 H new ATOM 0 HA ALA A 105 24.148 2.177 26.619 1.00 0.00 H new ATOM 0 HB1 ALA A 105 22.793 1.047 28.355 1.00 0.00 H new ATOM 0 HB2 ALA A 105 24.117 0.001 27.788 1.00 0.00 H new ATOM 0 HB3 ALA A 105 24.251 0.835 29.354 1.00 0.00 H new ATOM 1548 N ALA A 110 14.720 3.566 31.497 1.00 0.00 N ATOM 1549 CA ALA A 110 14.073 2.965 30.337 1.00 0.00 C ATOM 1550 C ALA A 110 14.896 1.797 29.783 1.00 0.00 C ATOM 1551 O ALA A 110 14.305 0.828 29.305 1.00 0.00 O ATOM 1552 CB ALA A 110 13.867 4.029 29.252 1.00 0.00 C ATOM 0 HA ALA A 110 13.106 2.572 30.649 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.383 3.577 28.386 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.238 4.829 29.642 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.833 4.438 28.955 1.00 0.00 H new ATOM 1558 N CYS A 111 16.228 1.854 29.869 1.00 0.00 N ATOM 1559 CA CYS A 111 17.086 0.796 29.358 1.00 0.00 C ATOM 1560 C CYS A 111 16.978 -0.443 30.248 1.00 0.00 C ATOM 1561 O CYS A 111 17.115 -0.346 31.471 1.00 0.00 O ATOM 1562 CB CYS A 111 18.550 1.269 29.339 1.00 0.00 C ATOM 1563 SG CYS A 111 19.731 -0.011 28.819 1.00 0.00 S ATOM 0 H CYS A 111 16.734 2.632 30.293 1.00 0.00 H new ATOM 0 HA CYS A 111 16.766 0.549 28.346 1.00 0.00 H new ATOM 0 HB2 CYS A 111 18.637 2.124 28.668 1.00 0.00 H new ATOM 0 HB3 CYS A 111 18.822 1.617 30.335 1.00 0.00 H new ATOM 1568 N LYS A 112 16.797 -1.612 29.630 1.00 0.00 N ATOM 1569 CA LYS A 112 16.910 -2.914 30.281 1.00 0.00 C ATOM 1570 C LYS A 112 17.834 -3.741 29.397 1.00 0.00 C ATOM 1571 O LYS A 112 17.698 -3.706 28.170 1.00 0.00 O ATOM 1572 CB LYS A 112 15.556 -3.637 30.434 1.00 0.00 C ATOM 1573 CG LYS A 112 14.666 -3.170 31.601 1.00 0.00 C ATOM 1574 CD LYS A 112 13.848 -1.890 31.373 1.00 0.00 C ATOM 1575 CE LYS A 112 12.914 -2.011 30.160 1.00 0.00 C ATOM 1576 NZ LYS A 112 12.059 -0.813 29.999 1.00 0.00 N ATOM 0 H LYS A 112 16.562 -1.679 28.640 1.00 0.00 H new ATOM 0 HA LYS A 112 17.291 -2.783 31.294 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.996 -3.517 29.506 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.748 -4.703 30.555 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.975 -3.977 31.846 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.301 -3.018 32.474 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.259 -1.673 32.264 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.525 -1.049 31.226 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.508 -2.157 29.258 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.284 -2.894 30.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.071 -1.061 30.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.375 -0.070 30.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.129 -0.465 29.021 1.00 0.00 H new ATOM 1590 N ILE A 113 18.746 -4.492 30.010 1.00 0.00 N ATOM 1591 CA ILE A 113 19.629 -5.435 29.352 1.00 0.00 C ATOM 1592 C ILE A 113 19.769 -6.676 30.238 1.00 0.00 C ATOM 1593 O ILE A 113 19.824 -6.549 31.466 1.00 0.00 O ATOM 1594 CB ILE A 113 20.973 -4.742 29.050 1.00 0.00 C ATOM 1595 CG1 ILE A 113 21.877 -5.663 28.199 1.00 0.00 C ATOM 1596 CG2 ILE A 113 21.732 -4.252 30.300 1.00 0.00 C ATOM 1597 CD1 ILE A 113 22.999 -4.907 27.476 1.00 0.00 C ATOM 0 H ILE A 113 18.891 -4.454 31.019 1.00 0.00 H new ATOM 0 HA ILE A 113 19.224 -5.766 28.396 1.00 0.00 H new ATOM 0 HB ILE A 113 20.719 -3.844 28.487 1.00 0.00 H new ATOM 0 HG12 ILE A 113 22.317 -6.425 28.842 1.00 0.00 H new ATOM 0 HG13 ILE A 113 21.264 -6.183 27.462 1.00 0.00 H new ATOM 0 HG21 ILE A 113 22.665 -3.777 29.996 1.00 0.00 H new ATOM 0 HG22 ILE A 113 21.117 -3.532 30.840 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.951 -5.100 30.949 1.00 0.00 H new ATOM 0 HD11 ILE A 113 23.597 -5.610 26.897 1.00 0.00 H new ATOM 0 HD12 ILE A 113 22.565 -4.163 26.808 1.00 0.00 H new ATOM 0 HD13 ILE A 113 23.634 -4.409 28.209 1.00 0.00 H new ATOM 1609 N SER A 114 19.861 -7.853 29.618 1.00 0.00 N ATOM 1610 CA SER A 114 20.075 -9.126 30.297 1.00 0.00 C ATOM 1611 C SER A 114 20.917 -10.043 29.405 1.00 0.00 C ATOM 1612 O SER A 114 20.829 -9.965 28.175 1.00 0.00 O ATOM 1613 CB SER A 114 18.723 -9.799 30.600 1.00 0.00 C ATOM 1614 OG SER A 114 17.834 -8.947 31.309 1.00 0.00 O ATOM 0 H SER A 114 19.787 -7.947 28.605 1.00 0.00 H new ATOM 0 HA SER A 114 20.599 -8.946 31.236 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.257 -10.106 29.664 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.895 -10.704 31.183 1.00 0.00 H new ATOM 0 HG SER A 114 16.991 -9.419 31.475 1.00 0.00 H new ATOM 1620 N GLY A 115 21.702 -10.923 30.040 1.00 0.00 N ATOM 1621 CA GLY A 115 22.423 -12.026 29.408 1.00 0.00 C ATOM 1622 C GLY A 115 23.313 -11.604 28.242 1.00 0.00 C ATOM 1623 O GLY A 115 23.380 -12.332 27.250 1.00 0.00 O ATOM 0 H GLY A 115 21.856 -10.881 31.047 1.00 0.00 H new ATOM 0 HA2 GLY A 115 23.038 -12.521 30.159 1.00 0.00 H new ATOM 0 HA3 GLY A 115 21.701 -12.761 29.052 1.00 0.00 H new ATOM 1627 N CYS A 116 23.968 -10.440 28.330 1.00 0.00 N ATOM 1628 CA CYS A 116 24.661 -9.842 27.194 1.00 0.00 C ATOM 1629 C CYS A 116 26.060 -9.339 27.548 1.00 0.00 C ATOM 1630 O CYS A 116 26.353 -9.055 28.713 1.00 0.00 O ATOM 1631 CB CYS A 116 23.800 -8.683 26.672 1.00 0.00 C ATOM 1632 SG CYS A 116 24.153 -8.193 24.972 1.00 0.00 S ATOM 0 H CYS A 116 24.030 -9.892 29.188 1.00 0.00 H new ATOM 0 HA CYS A 116 24.798 -10.609 26.432 1.00 0.00 H new ATOM 0 HB2 CYS A 116 22.750 -8.966 26.744 1.00 0.00 H new ATOM 0 HB3 CYS A 116 23.943 -7.820 27.322 1.00 0.00 H new ATOM 1637 N SER A 117 26.886 -9.165 26.514 1.00 0.00 N ATOM 1638 CA SER A 117 28.186 -8.514 26.561 1.00 0.00 C ATOM 1639 C SER A 117 28.200 -7.401 25.507 1.00 0.00 C ATOM 1640 O SER A 117 27.569 -7.531 24.451 1.00 0.00 O ATOM 1641 CB SER A 117 29.289 -9.548 26.296 1.00 0.00 C ATOM 1642 OG SER A 117 29.227 -10.616 27.233 1.00 0.00 O ATOM 0 H SER A 117 26.650 -9.492 25.577 1.00 0.00 H new ATOM 0 HA SER A 117 28.369 -8.079 27.544 1.00 0.00 H new ATOM 0 HB2 SER A 117 29.187 -9.941 25.285 1.00 0.00 H new ATOM 0 HB3 SER A 117 30.265 -9.066 26.354 1.00 0.00 H new ATOM 0 HG SER A 117 29.939 -11.261 27.041 1.00 0.00 H new ATOM 1648 N LEU A 118 28.921 -6.315 25.793 1.00 0.00 N ATOM 1649 CA LEU A 118 28.962 -5.102 24.979 1.00 0.00 C ATOM 1650 C LEU A 118 30.421 -4.742 24.709 1.00 0.00 C ATOM 1651 O LEU A 118 31.279 -4.964 25.572 1.00 0.00 O ATOM 1652 CB LEU A 118 28.294 -3.924 25.719 1.00 0.00 C ATOM 1653 CG LEU A 118 26.808 -4.097 26.094 1.00 0.00 C ATOM 1654 CD1 LEU A 118 26.335 -2.868 26.880 1.00 0.00 C ATOM 1655 CD2 LEU A 118 25.918 -4.267 24.862 1.00 0.00 C ATOM 0 H LEU A 118 29.510 -6.255 26.624 1.00 0.00 H new ATOM 0 HA LEU A 118 28.426 -5.285 24.048 1.00 0.00 H new ATOM 0 HB2 LEU A 118 28.856 -3.733 26.633 1.00 0.00 H new ATOM 0 HB3 LEU A 118 28.387 -3.034 25.096 1.00 0.00 H new ATOM 0 HG LEU A 118 26.726 -5.001 26.698 1.00 0.00 H new ATOM 0 HD11 LEU A 118 25.285 -2.988 27.146 1.00 0.00 H new ATOM 0 HD12 LEU A 118 26.930 -2.766 27.788 1.00 0.00 H new ATOM 0 HD13 LEU A 118 26.454 -1.975 26.266 1.00 0.00 H new ATOM 0 HD21 LEU A 118 24.881 -4.385 25.176 1.00 0.00 H new ATOM 0 HD22 LEU A 118 26.006 -3.387 24.225 1.00 0.00 H new ATOM 0 HD23 LEU A 118 26.232 -5.150 24.306 1.00 0.00 H new ATOM 1667 N SER A 119 30.694 -4.121 23.561 1.00 0.00 N ATOM 1668 CA SER A 119 31.993 -3.544 23.226 1.00 0.00 C ATOM 1669 C SER A 119 31.780 -2.304 22.353 1.00 0.00 C ATOM 1670 O SER A 119 30.727 -2.148 21.728 1.00 0.00 O ATOM 1671 CB SER A 119 32.877 -4.567 22.488 1.00 0.00 C ATOM 1672 OG SER A 119 32.861 -5.855 23.089 1.00 0.00 O ATOM 0 H SER A 119 30.001 -4.003 22.822 1.00 0.00 H new ATOM 0 HA SER A 119 32.504 -3.264 24.147 1.00 0.00 H new ATOM 0 HB2 SER A 119 32.540 -4.651 21.455 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.902 -4.199 22.460 1.00 0.00 H new ATOM 0 HG SER A 119 33.437 -6.461 22.578 1.00 0.00 H new ATOM 1678 N ALA A 120 32.776 -1.418 22.299 1.00 0.00 N ATOM 1679 CA ALA A 120 32.790 -0.314 21.351 1.00 0.00 C ATOM 1680 C ALA A 120 33.261 -0.816 19.981 1.00 0.00 C ATOM 1681 O ALA A 120 34.090 -1.727 19.898 1.00 0.00 O ATOM 1682 CB ALA A 120 33.738 0.780 21.854 1.00 0.00 C ATOM 0 H ALA A 120 33.591 -1.449 22.911 1.00 0.00 H new ATOM 0 HA ALA A 120 31.784 0.095 21.256 1.00 0.00 H new ATOM 0 HB1 ALA A 120 33.749 1.607 21.144 1.00 0.00 H new ATOM 0 HB2 ALA A 120 33.396 1.139 22.825 1.00 0.00 H new ATOM 0 HB3 ALA A 120 34.744 0.373 21.952 1.00 0.00 H new ATOM 1688 N MET A 121 32.755 -0.187 18.920 1.00 0.00 N ATOM 1689 CA MET A 121 33.235 -0.365 17.555 1.00 0.00 C ATOM 1690 C MET A 121 34.712 0.027 17.507 1.00 0.00 C ATOM 1691 O MET A 121 35.537 -0.790 17.048 1.00 0.00 O ATOM 1692 CB MET A 121 32.370 0.490 16.620 1.00 0.00 C ATOM 1693 CG MET A 121 32.874 0.519 15.173 1.00 0.00 C ATOM 1694 SD MET A 121 31.907 1.612 14.096 1.00 0.00 S ATOM 1695 CE MET A 121 32.737 1.287 12.518 1.00 0.00 C ATOM 1696 OXT MET A 121 35.033 1.161 17.925 1.00 0.00 O ATOM 0 H MET A 121 31.982 0.475 18.990 1.00 0.00 H new ATOM 0 HA MET A 121 33.154 -1.402 17.228 1.00 0.00 H new ATOM 0 HB2 MET A 121 31.349 0.108 16.633 1.00 0.00 H new ATOM 0 HB3 MET A 121 32.334 1.510 17.004 1.00 0.00 H new ATOM 0 HG2 MET A 121 33.915 0.841 15.165 1.00 0.00 H new ATOM 0 HG3 MET A 121 32.850 -0.492 14.767 1.00 0.00 H new ATOM 0 HE1 MET A 121 32.270 1.880 11.732 1.00 0.00 H new ATOM 0 HE2 MET A 121 33.790 1.557 12.599 1.00 0.00 H new ATOM 0 HE3 MET A 121 32.651 0.228 12.273 1.00 0.00 H new