USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 961 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HE2:sc= 0.919 K(o=1.4,f=-4.9!) USER MOD Set 1.2: B 206 ASN : amide:sc= -0.0825 X(o=1.4,f=1.3) USER MOD Set 1.3: B 207 SER OG : rot 8:sc= 0.552 USER MOD Set 2.1: A 55 THR OG1 : rot 41:sc= 0.195 USER MOD Set 2.2: A 95 LYS NZ :NH3+ -152:sc= 2.16 (180deg=0.459) USER MOD Set 3.1: A 3 LYS NZ :NH3+ 147:sc= 1.02 (180deg=0.368) USER MOD Set 3.2: A 9 GLN : amide:sc= 0.561 K(o=0.45,f=-13) USER MOD Set 3.3: A 85 ASN : amide:sc= -1.13! C(o=0.45!,f=-8.6!) USER MOD Set 4.1: A 84 GLN : amide:sc= -0.505! C(o=1.3!,f=-6.1!) USER MOD Set 4.2: A 87 CYS SG : rot 60:sc= 1.77 USER MOD Set 5.1: A 69 LYS NZ :NH3+ 170:sc= 2.15 (180deg=0.594) USER MOD Set 5.2: A 76 THR OG1 : rot 180:sc= -0.618! USER MOD Set 6.1: A 7 MET CE :methyl 161:sc= -0.0602 (180deg=-0.475) USER MOD Set 6.2: A 39 ASN : amide:sc= 0.667 K(o=0.92,f=-4.6!) USER MOD Set 6.3: A 40 SER OG : rot 63:sc= 0.313 USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0915 (180deg=-0.42) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.127 (180deg=-0.45) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0354 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -130:sc= 0.098 USER MOD Single : A 19 SER OG : rot 143:sc= 0.436 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0.0361 USER MOD Single : A 34 THR OG1 : rot 71:sc= -1.39! USER MOD Single : A 36 GLN : amide:sc= -0.449 K(o=-0.45,f=-2!) USER MOD Single : A 37 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.88) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 49 GLN : amide:sc= 0.0106 X(o=0.011,f=0) USER MOD Single : A 62 GLN : amide:sc= -4.2! C(o=-4.2!,f=-7!) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc=-0.00168 (180deg=-0.118) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 2.42 (180deg=2.14) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 135:sc= 1.11 (180deg=-1.14) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -59:sc= 1.23 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 151:sc= 0 (180deg=-0.655) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.335 F(o=-1.7,f=-0.34) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 187 HIS : no HD1:sc= -0.0694 X(o=-0.069,f=-0.01) USER MOD Single : B 192 TYR OH : rot 89:sc= 0.749 USER MOD Single : B 196 ASN :FLIP amide:sc= -0.0365 F(o=-0.54,f=-0.036) USER MOD Single : B 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 201 LYS NZ :NH3+ -170:sc= -0.0151 (180deg=-0.143) USER MOD Single : B 204 MET CE :methyl 152:sc= -0.458 (180deg=-1.63) USER MOD Single : B 205 THR OG1 : rot 180:sc= 0.00197 USER MOD Single : B 208 HIS : no HE2:sc= 0.657 K(o=0.66,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.308 -13.919 -10.393 1.00 1.79 N ATOM 2 CA MET A 1 -4.219 -12.514 -9.936 1.00 1.50 C ATOM 3 C MET A 1 -5.577 -11.826 -10.038 1.00 1.45 C ATOM 4 O MET A 1 -5.665 -10.595 -10.108 1.00 2.06 O ATOM 5 CB MET A 1 -3.173 -11.749 -10.756 1.00 1.78 C ATOM 6 CG MET A 1 -3.550 -11.558 -12.217 1.00 2.07 C ATOM 7 SD MET A 1 -2.177 -10.947 -13.219 1.00 2.89 S ATOM 8 CE MET A 1 -1.699 -9.482 -12.308 1.00 2.97 C ATOM 0 H1 MET A 1 -3.350 -14.307 -10.510 1.00 1.79 H new ATOM 0 H2 MET A 1 -4.826 -14.481 -9.688 1.00 1.79 H new ATOM 0 H3 MET A 1 -4.810 -13.957 -11.303 1.00 1.79 H new ATOM 0 HA MET A 1 -3.911 -12.515 -8.890 1.00 1.50 H new ATOM 0 HB2 MET A 1 -3.015 -10.771 -10.302 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.224 -12.282 -10.703 1.00 1.78 H new ATOM 0 HG2 MET A 1 -3.898 -12.507 -12.625 1.00 2.07 H new ATOM 0 HG3 MET A 1 -4.383 -10.858 -12.284 1.00 2.07 H new ATOM 0 HE1 MET A 1 -0.999 -8.895 -12.903 1.00 2.97 H new ATOM 0 HE2 MET A 1 -2.584 -8.883 -12.093 1.00 2.97 H new ATOM 0 HE3 MET A 1 -1.223 -9.775 -11.372 1.00 2.97 H new ATOM 20 N ALA A 2 -6.638 -12.621 -10.031 1.00 1.41 N ATOM 21 CA ALA A 2 -7.989 -12.095 -10.115 1.00 1.47 C ATOM 22 C ALA A 2 -8.496 -11.741 -8.727 1.00 1.31 C ATOM 23 O ALA A 2 -9.380 -12.411 -8.179 1.00 1.40 O ATOM 24 CB ALA A 2 -8.917 -13.098 -10.787 1.00 1.83 C ATOM 0 H ALA A 2 -6.586 -13.638 -9.968 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.974 -11.191 -10.723 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.924 -12.684 -10.840 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.558 -13.308 -11.795 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -8.935 -14.022 -10.209 1.00 1.83 H new ATOM 30 N LYS A 3 -7.914 -10.695 -8.155 1.00 1.21 N ATOM 31 CA LYS A 3 -8.292 -10.239 -6.828 1.00 1.10 C ATOM 32 C LYS A 3 -9.593 -9.455 -6.887 1.00 1.05 C ATOM 33 O LYS A 3 -9.604 -8.229 -6.785 1.00 1.21 O ATOM 34 CB LYS A 3 -7.184 -9.382 -6.211 1.00 1.11 C ATOM 35 CG LYS A 3 -6.924 -9.695 -4.749 1.00 1.22 C ATOM 36 CD LYS A 3 -5.969 -8.696 -4.124 1.00 1.18 C ATOM 37 CE LYS A 3 -6.613 -7.969 -2.953 1.00 1.23 C ATOM 38 NZ LYS A 3 -6.597 -8.777 -1.705 1.00 1.47 N ATOM 0 H LYS A 3 -7.175 -10.145 -8.594 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.439 -11.115 -6.197 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.264 -9.530 -6.776 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -7.452 -8.330 -6.308 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.867 -9.689 -4.202 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -6.510 -10.699 -4.660 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.071 -9.212 -3.784 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.655 -7.972 -4.875 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -6.089 -7.029 -2.780 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.643 -7.718 -3.207 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -6.500 -8.146 -0.884 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -7.485 -9.313 -1.627 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.795 -9.438 -1.730 1.00 1.47 H new ATOM 52 N THR A 4 -10.683 -10.173 -7.094 1.00 1.06 N ATOM 53 CA THR A 4 -11.999 -9.568 -7.167 1.00 1.06 C ATOM 54 C THR A 4 -13.052 -10.515 -6.599 1.00 1.13 C ATOM 55 O THR A 4 -13.866 -10.124 -5.763 1.00 1.27 O ATOM 56 CB THR A 4 -12.365 -9.187 -8.618 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.278 -8.462 -9.215 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.629 -8.334 -8.658 1.00 1.23 C ATOM 0 H THR A 4 -10.680 -11.186 -7.215 1.00 1.06 H new ATOM 0 HA THR A 4 -11.976 -8.656 -6.571 1.00 1.06 H new ATOM 0 HB THR A 4 -12.550 -10.104 -9.177 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.511 -8.222 -10.136 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.864 -8.080 -9.692 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.459 -8.892 -8.224 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.469 -7.419 -8.087 1.00 1.23 H new ATOM 66 N GLU A 5 -13.012 -11.771 -7.030 1.00 1.20 N ATOM 67 CA GLU A 5 -13.969 -12.767 -6.565 1.00 1.33 C ATOM 68 C GLU A 5 -13.467 -13.442 -5.294 1.00 1.31 C ATOM 69 O GLU A 5 -13.073 -14.607 -5.314 1.00 1.58 O ATOM 70 CB GLU A 5 -14.217 -13.820 -7.651 1.00 1.56 C ATOM 71 CG GLU A 5 -14.504 -13.229 -9.022 1.00 1.73 C ATOM 72 CD GLU A 5 -15.660 -12.252 -9.005 1.00 1.94 C ATOM 73 OE1 GLU A 5 -16.772 -12.648 -8.599 1.00 2.37 O ATOM 74 OE2 GLU A 5 -15.461 -11.085 -9.397 1.00 2.15 O ATOM 0 H GLU A 5 -12.328 -12.123 -7.700 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.908 -12.259 -6.344 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -13.344 -14.470 -7.721 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -15.058 -14.446 -7.352 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -13.611 -12.723 -9.390 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -14.725 -14.035 -9.722 1.00 1.73 H new ATOM 81 N GLU A 6 -13.469 -12.698 -4.196 1.00 1.20 N ATOM 82 CA GLU A 6 -13.014 -13.223 -2.911 1.00 1.19 C ATOM 83 C GLU A 6 -13.826 -12.621 -1.766 1.00 1.14 C ATOM 84 O GLU A 6 -14.735 -13.260 -1.236 1.00 1.26 O ATOM 85 CB GLU A 6 -11.524 -12.928 -2.693 1.00 1.16 C ATOM 86 CG GLU A 6 -10.587 -13.722 -3.592 1.00 1.41 C ATOM 87 CD GLU A 6 -9.124 -13.523 -3.244 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.613 -14.259 -2.373 1.00 1.64 O ATOM 89 OE2 GLU A 6 -8.476 -12.634 -3.840 1.00 1.83 O ATOM 0 H GLU A 6 -13.781 -11.727 -4.167 1.00 1.20 H new ATOM 0 HA GLU A 6 -13.160 -14.303 -2.925 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.349 -11.864 -2.856 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -11.273 -13.137 -1.653 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.832 -14.782 -3.518 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.752 -13.429 -4.629 1.00 1.41 H new ATOM 96 N MET A 7 -13.484 -11.384 -1.399 1.00 1.05 N ATOM 97 CA MET A 7 -14.157 -10.654 -0.313 1.00 1.09 C ATOM 98 C MET A 7 -14.121 -11.435 1.000 1.00 1.12 C ATOM 99 O MET A 7 -15.039 -11.350 1.815 1.00 1.32 O ATOM 100 CB MET A 7 -15.607 -10.323 -0.691 1.00 1.22 C ATOM 101 CG MET A 7 -15.736 -9.126 -1.625 1.00 1.44 C ATOM 102 SD MET A 7 -17.436 -8.535 -1.790 1.00 1.75 S ATOM 103 CE MET A 7 -17.728 -7.850 -0.161 1.00 2.16 C ATOM 0 H MET A 7 -12.733 -10.857 -1.844 1.00 1.05 H new ATOM 0 HA MET A 7 -13.611 -9.722 -0.166 1.00 1.09 H new ATOM 0 HB2 MET A 7 -16.058 -11.194 -1.166 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.175 -10.127 0.218 1.00 1.22 H new ATOM 0 HG2 MET A 7 -15.110 -8.314 -1.254 1.00 1.44 H new ATOM 0 HG3 MET A 7 -15.355 -9.398 -2.609 1.00 1.44 H new ATOM 0 HE1 MET A 7 -18.574 -7.164 -0.201 1.00 2.16 H new ATOM 0 HE2 MET A 7 -17.947 -8.656 0.539 1.00 2.16 H new ATOM 0 HE3 MET A 7 -16.840 -7.312 0.172 1.00 2.16 H new ATOM 113 N VAL A 8 -13.048 -12.188 1.204 1.00 1.13 N ATOM 114 CA VAL A 8 -12.883 -12.978 2.414 1.00 1.22 C ATOM 115 C VAL A 8 -11.497 -12.765 3.017 1.00 1.14 C ATOM 116 O VAL A 8 -10.718 -13.705 3.167 1.00 1.34 O ATOM 117 CB VAL A 8 -13.110 -14.484 2.155 1.00 1.45 C ATOM 118 CG1 VAL A 8 -14.594 -14.806 2.158 1.00 1.70 C ATOM 119 CG2 VAL A 8 -12.472 -14.915 0.839 1.00 1.49 C ATOM 0 H VAL A 8 -12.276 -12.267 0.542 1.00 1.13 H new ATOM 0 HA VAL A 8 -13.640 -12.637 3.120 1.00 1.22 H new ATOM 0 HB VAL A 8 -12.632 -15.042 2.960 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.736 -15.871 1.974 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -15.021 -14.545 3.126 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -15.092 -14.233 1.376 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -12.647 -15.979 0.681 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -12.913 -14.349 0.018 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -11.399 -14.725 0.875 1.00 1.49 H new ATOM 129 N GLN A 9 -11.189 -11.516 3.333 1.00 0.97 N ATOM 130 CA GLN A 9 -9.902 -11.157 3.927 1.00 0.93 C ATOM 131 C GLN A 9 -10.093 -10.728 5.382 1.00 0.91 C ATOM 132 O GLN A 9 -10.955 -11.259 6.082 1.00 0.98 O ATOM 133 CB GLN A 9 -9.261 -10.018 3.132 1.00 0.89 C ATOM 134 CG GLN A 9 -9.577 -10.049 1.647 1.00 1.00 C ATOM 135 CD GLN A 9 -8.535 -10.788 0.832 1.00 1.20 C ATOM 136 OE1 GLN A 9 -8.322 -10.474 -0.334 1.00 1.49 O ATOM 137 NE2 GLN A 9 -7.888 -11.776 1.431 1.00 1.43 N ATOM 0 H GLN A 9 -11.816 -10.725 3.188 1.00 0.97 H new ATOM 0 HA GLN A 9 -9.247 -12.028 3.898 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -9.596 -9.067 3.545 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.180 -10.060 3.264 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -10.548 -10.521 1.498 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.660 -9.027 1.278 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -8.095 -12.006 2.403 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -7.183 -12.307 0.920 1.00 1.43 H new ATOM 146 N THR A 10 -9.283 -9.771 5.829 1.00 0.91 N ATOM 147 CA THR A 10 -9.371 -9.249 7.188 1.00 0.91 C ATOM 148 C THR A 10 -10.727 -8.581 7.422 1.00 0.88 C ATOM 149 O THR A 10 -11.136 -7.705 6.656 1.00 0.82 O ATOM 150 CB THR A 10 -8.250 -8.225 7.450 1.00 0.89 C ATOM 151 OG1 THR A 10 -7.042 -8.654 6.802 1.00 0.98 O ATOM 152 CG2 THR A 10 -8.004 -8.057 8.943 1.00 0.96 C ATOM 0 H THR A 10 -8.553 -9.339 5.263 1.00 0.91 H new ATOM 0 HA THR A 10 -9.260 -10.088 7.875 1.00 0.91 H new ATOM 0 HB THR A 10 -8.560 -7.262 7.044 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.331 -8.000 6.969 1.00 0.98 H new ATOM 0 HG21 THR A 10 -7.208 -7.329 9.101 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.917 -7.707 9.425 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.711 -9.014 9.373 1.00 0.96 H new ATOM 160 N GLU A 11 -11.422 -8.999 8.469 1.00 0.99 N ATOM 161 CA GLU A 11 -12.730 -8.444 8.779 1.00 1.04 C ATOM 162 C GLU A 11 -12.623 -7.342 9.828 1.00 1.02 C ATOM 163 O GLU A 11 -11.624 -7.241 10.545 1.00 1.03 O ATOM 164 CB GLU A 11 -13.678 -9.546 9.262 1.00 1.19 C ATOM 165 CG GLU A 11 -15.148 -9.229 9.034 1.00 1.29 C ATOM 166 CD GLU A 11 -16.047 -10.414 9.312 1.00 1.51 C ATOM 167 OE1 GLU A 11 -16.199 -10.781 10.491 1.00 1.89 O ATOM 168 OE2 GLU A 11 -16.612 -10.981 8.352 1.00 1.58 O ATOM 0 H GLU A 11 -11.103 -9.719 9.117 1.00 0.99 H new ATOM 0 HA GLU A 11 -13.135 -8.007 7.866 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.432 -10.476 8.749 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -13.512 -9.715 10.326 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -15.440 -8.397 9.675 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.290 -8.903 8.004 1.00 1.29 H new ATOM 175 N GLU A 12 -13.655 -6.515 9.897 1.00 1.07 N ATOM 176 CA GLU A 12 -13.723 -5.417 10.850 1.00 1.10 C ATOM 177 C GLU A 12 -15.184 -5.210 11.249 1.00 1.22 C ATOM 178 O GLU A 12 -15.949 -6.177 11.314 1.00 1.54 O ATOM 179 CB GLU A 12 -13.131 -4.142 10.229 1.00 1.07 C ATOM 180 CG GLU A 12 -12.164 -3.393 11.137 1.00 1.18 C ATOM 181 CD GLU A 12 -12.870 -2.499 12.133 1.00 1.74 C ATOM 182 OE1 GLU A 12 -13.901 -1.901 11.770 1.00 2.22 O ATOM 183 OE2 GLU A 12 -12.405 -2.401 13.288 1.00 2.23 O ATOM 0 H GLU A 12 -14.472 -6.587 9.291 1.00 1.07 H new ATOM 0 HA GLU A 12 -13.139 -5.652 11.740 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -12.614 -4.407 9.307 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -13.947 -3.473 9.955 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -11.546 -4.112 11.675 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -11.492 -2.790 10.526 1.00 1.18 H new ATOM 190 N MET A 13 -15.569 -3.973 11.526 1.00 1.20 N ATOM 191 CA MET A 13 -16.946 -3.673 11.894 1.00 1.31 C ATOM 192 C MET A 13 -17.782 -3.437 10.644 1.00 1.28 C ATOM 193 O MET A 13 -18.821 -4.065 10.455 1.00 1.46 O ATOM 194 CB MET A 13 -17.008 -2.451 12.810 1.00 1.40 C ATOM 195 CG MET A 13 -16.515 -2.728 14.217 1.00 1.63 C ATOM 196 SD MET A 13 -16.502 -1.249 15.248 1.00 1.83 S ATOM 197 CE MET A 13 -16.143 -1.967 16.850 1.00 2.25 C ATOM 0 H MET A 13 -14.950 -3.163 11.503 1.00 1.20 H new ATOM 0 HA MET A 13 -17.352 -4.527 12.436 1.00 1.31 H new ATOM 0 HB2 MET A 13 -16.411 -1.649 12.375 1.00 1.40 H new ATOM 0 HB3 MET A 13 -18.037 -2.093 12.857 1.00 1.40 H new ATOM 0 HG2 MET A 13 -17.151 -3.483 14.679 1.00 1.63 H new ATOM 0 HG3 MET A 13 -15.508 -3.143 14.171 1.00 1.63 H new ATOM 0 HE1 MET A 13 -16.101 -1.178 17.601 1.00 2.25 H new ATOM 0 HE2 MET A 13 -16.926 -2.678 17.114 1.00 2.25 H new ATOM 0 HE3 MET A 13 -15.183 -2.482 16.811 1.00 2.25 H new ATOM 207 N GLU A 14 -17.322 -2.526 9.793 1.00 1.19 N ATOM 208 CA GLU A 14 -18.019 -2.232 8.548 1.00 1.18 C ATOM 209 C GLU A 14 -17.372 -2.994 7.399 1.00 1.09 C ATOM 210 O GLU A 14 -18.059 -3.516 6.522 1.00 1.18 O ATOM 211 CB GLU A 14 -18.001 -0.730 8.255 1.00 1.19 C ATOM 212 CG GLU A 14 -18.804 -0.344 7.021 1.00 1.29 C ATOM 213 CD GLU A 14 -18.624 1.108 6.630 1.00 1.54 C ATOM 214 OE1 GLU A 14 -19.054 1.993 7.396 1.00 2.13 O ATOM 215 OE2 GLU A 14 -18.056 1.373 5.551 1.00 2.02 O ATOM 0 H GLU A 14 -16.473 -1.981 9.942 1.00 1.19 H new ATOM 0 HA GLU A 14 -19.057 -2.549 8.652 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -18.396 -0.194 9.118 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.969 -0.406 8.124 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.506 -0.979 6.187 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -19.861 -0.537 7.207 1.00 1.29 H new ATOM 222 N THR A 15 -16.045 -3.054 7.422 1.00 0.98 N ATOM 223 CA THR A 15 -15.278 -3.740 6.395 1.00 0.90 C ATOM 224 C THR A 15 -15.631 -5.227 6.343 1.00 0.94 C ATOM 225 O THR A 15 -15.356 -5.977 7.286 1.00 0.98 O ATOM 226 CB THR A 15 -13.774 -3.572 6.662 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.565 -2.456 7.539 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.016 -3.347 5.365 1.00 0.91 C ATOM 0 H THR A 15 -15.474 -2.629 8.152 1.00 0.98 H new ATOM 0 HA THR A 15 -15.529 -3.295 5.432 1.00 0.90 H new ATOM 0 HB THR A 15 -13.401 -4.484 7.127 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.879 -1.867 7.161 1.00 0.83 H new ATOM 0 HG21 THR A 15 -11.954 -3.231 5.580 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.161 -4.203 4.705 1.00 0.91 H new ATOM 0 HG23 THR A 15 -13.388 -2.446 4.878 1.00 0.91 H new ATOM 236 N PRO A 16 -16.233 -5.671 5.230 1.00 0.97 N ATOM 237 CA PRO A 16 -16.638 -7.059 5.050 1.00 1.04 C ATOM 238 C PRO A 16 -15.506 -7.930 4.516 1.00 0.96 C ATOM 239 O PRO A 16 -15.575 -8.439 3.396 1.00 0.96 O ATOM 240 CB PRO A 16 -17.765 -6.944 4.030 1.00 1.12 C ATOM 241 CG PRO A 16 -17.383 -5.781 3.177 1.00 1.07 C ATOM 242 CD PRO A 16 -16.571 -4.852 4.050 1.00 0.98 C ATOM 0 HA PRO A 16 -16.931 -7.536 5.985 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.859 -7.855 3.439 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.726 -6.779 4.518 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.802 -6.108 2.314 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.269 -5.275 2.792 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.675 -4.504 3.536 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.142 -3.967 4.330 1.00 0.98 H new ATOM 250 N ARG A 17 -14.464 -8.084 5.330 1.00 0.95 N ATOM 251 CA ARG A 17 -13.304 -8.893 4.967 1.00 0.92 C ATOM 252 C ARG A 17 -12.636 -8.341 3.712 1.00 0.82 C ATOM 253 O ARG A 17 -12.542 -9.021 2.686 1.00 0.83 O ATOM 254 CB ARG A 17 -13.715 -10.352 4.773 1.00 1.01 C ATOM 255 CG ARG A 17 -14.385 -10.945 5.994 1.00 1.13 C ATOM 256 CD ARG A 17 -14.668 -12.424 5.831 1.00 1.19 C ATOM 257 NE ARG A 17 -15.453 -12.941 6.949 1.00 1.38 N ATOM 258 CZ ARG A 17 -15.496 -14.219 7.306 1.00 1.67 C ATOM 259 NH1 ARG A 17 -14.762 -15.119 6.659 1.00 1.84 N ATOM 260 NH2 ARG A 17 -16.262 -14.597 8.319 1.00 1.94 N ATOM 0 H ARG A 17 -14.400 -7.655 6.253 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.579 -8.848 5.780 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.393 -10.423 3.923 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -12.833 -10.943 4.527 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -13.748 -10.793 6.865 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -15.319 -10.417 6.186 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.205 -12.593 4.898 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -13.728 -12.971 5.761 1.00 1.19 H new ATOM 0 HE ARG A 17 -16.005 -12.276 7.491 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -14.164 -14.828 5.886 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -14.797 -16.100 6.936 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -16.818 -13.906 8.824 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -16.296 -15.579 8.594 1.00 1.94 H new ATOM 274 N LEU A 18 -12.142 -7.117 3.818 1.00 0.75 N ATOM 275 CA LEU A 18 -11.507 -6.441 2.697 1.00 0.67 C ATOM 276 C LEU A 18 -10.100 -5.958 3.057 1.00 0.63 C ATOM 277 O LEU A 18 -9.941 -5.032 3.853 1.00 0.66 O ATOM 278 CB LEU A 18 -12.364 -5.241 2.274 1.00 0.65 C ATOM 279 CG LEU A 18 -13.085 -5.365 0.932 1.00 0.64 C ATOM 280 CD1 LEU A 18 -14.038 -6.553 0.923 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.837 -4.078 0.623 1.00 0.66 C ATOM 0 H LEU A 18 -12.169 -6.567 4.677 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.422 -7.153 1.876 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.110 -5.063 3.048 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.725 -4.359 2.239 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.336 -5.534 0.159 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.535 -6.613 -0.045 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.477 -7.471 1.101 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.785 -6.426 1.707 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.347 -4.176 -0.335 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.570 -3.888 1.407 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -13.133 -3.247 0.576 1.00 0.66 H new ATOM 293 N SER A 19 -9.086 -6.590 2.480 1.00 0.63 N ATOM 294 CA SER A 19 -7.707 -6.194 2.721 1.00 0.64 C ATOM 295 C SER A 19 -7.002 -5.971 1.385 1.00 0.61 C ATOM 296 O SER A 19 -7.250 -6.686 0.409 1.00 0.70 O ATOM 297 CB SER A 19 -6.970 -7.224 3.585 1.00 0.77 C ATOM 298 OG SER A 19 -6.668 -8.405 2.865 1.00 1.44 O ATOM 0 H SER A 19 -9.194 -7.379 1.842 1.00 0.63 H new ATOM 0 HA SER A 19 -7.701 -5.258 3.280 1.00 0.64 H new ATOM 0 HB2 SER A 19 -6.047 -6.785 3.964 1.00 0.77 H new ATOM 0 HB3 SER A 19 -7.582 -7.475 4.451 1.00 0.77 H new ATOM 0 HG SER A 19 -5.791 -8.743 3.144 1.00 1.44 H new ATOM 304 N VAL A 20 -6.143 -4.973 1.346 1.00 0.55 N ATOM 305 CA VAL A 20 -5.435 -4.609 0.134 1.00 0.56 C ATOM 306 C VAL A 20 -3.979 -5.081 0.148 1.00 0.67 C ATOM 307 O VAL A 20 -3.355 -5.208 1.205 1.00 0.73 O ATOM 308 CB VAL A 20 -5.476 -3.077 -0.049 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.668 -2.392 1.040 1.00 0.55 C ATOM 310 CG2 VAL A 20 -4.974 -2.676 -1.423 1.00 0.53 C ATOM 0 H VAL A 20 -5.916 -4.391 2.152 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.935 -5.105 -0.698 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.514 -2.753 0.033 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.707 -1.312 0.897 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -5.085 -2.644 2.015 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.632 -2.728 0.990 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.015 -1.591 -1.523 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -3.945 -3.014 -1.547 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.601 -3.134 -2.188 1.00 0.53 H new ATOM 320 N ILE A 21 -3.452 -5.343 -1.040 1.00 0.73 N ATOM 321 CA ILE A 21 -2.074 -5.765 -1.193 1.00 0.86 C ATOM 322 C ILE A 21 -1.190 -4.541 -1.404 1.00 0.87 C ATOM 323 O ILE A 21 -1.195 -3.945 -2.484 1.00 0.88 O ATOM 324 CB ILE A 21 -1.903 -6.724 -2.392 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.719 -7.999 -2.181 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.434 -7.062 -2.603 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.579 -9.001 -3.308 1.00 1.10 C ATOM 0 H ILE A 21 -3.967 -5.269 -1.917 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.782 -6.295 -0.286 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.273 -6.222 -3.286 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.409 -8.469 -1.248 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.770 -7.734 -2.070 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.335 -7.738 -3.452 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.125 -6.147 -2.800 1.00 1.11 H new ATOM 0 HG23 ILE A 21 -0.039 -7.543 -1.708 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -3.185 -9.880 -3.090 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.917 -8.549 -4.241 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.534 -9.296 -3.405 1.00 1.10 H new ATOM 339 N VAL A 22 -0.471 -4.149 -0.364 1.00 0.89 N ATOM 340 CA VAL A 22 0.419 -3.000 -0.443 1.00 0.93 C ATOM 341 C VAL A 22 1.826 -3.466 -0.782 1.00 1.07 C ATOM 342 O VAL A 22 2.496 -4.086 0.048 1.00 1.15 O ATOM 343 CB VAL A 22 0.455 -2.212 0.884 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.184 -0.889 0.705 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.952 -1.978 1.413 1.00 0.80 C ATOM 0 H VAL A 22 -0.486 -4.610 0.546 1.00 0.89 H new ATOM 0 HA VAL A 22 0.039 -2.340 -1.222 1.00 0.93 H new ATOM 0 HB VAL A 22 1.000 -2.808 1.616 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.198 -0.350 1.652 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.207 -1.078 0.381 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.670 -0.289 -0.046 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.901 -1.421 2.349 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.525 -1.408 0.682 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.439 -2.937 1.588 1.00 0.80 H new ATOM 355 N THR A 23 2.270 -3.180 -1.993 1.00 1.12 N ATOM 356 CA THR A 23 3.590 -3.603 -2.417 1.00 1.26 C ATOM 357 C THR A 23 4.528 -2.417 -2.665 1.00 1.32 C ATOM 358 O THR A 23 4.133 -1.371 -3.191 1.00 1.28 O ATOM 359 CB THR A 23 3.523 -4.511 -3.670 1.00 1.33 C ATOM 360 OG1 THR A 23 4.838 -4.951 -4.038 1.00 1.89 O ATOM 361 CG2 THR A 23 2.879 -3.792 -4.845 1.00 1.63 C ATOM 0 H THR A 23 1.740 -2.661 -2.694 1.00 1.12 H new ATOM 0 HA THR A 23 4.005 -4.185 -1.594 1.00 1.26 H new ATOM 0 HB THR A 23 2.908 -5.374 -3.417 1.00 1.33 H new ATOM 0 HG1 THR A 23 4.781 -5.525 -4.830 1.00 1.89 H new ATOM 0 HG21 THR A 23 2.848 -4.458 -5.707 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.864 -3.496 -4.579 1.00 1.63 H new ATOM 0 HG23 THR A 23 3.462 -2.905 -5.093 1.00 1.63 H new ATOM 369 N HIS A 24 5.768 -2.600 -2.241 1.00 1.45 N ATOM 370 CA HIS A 24 6.821 -1.610 -2.383 1.00 1.54 C ATOM 371 C HIS A 24 8.008 -2.276 -3.072 1.00 1.61 C ATOM 372 O HIS A 24 8.973 -2.687 -2.423 1.00 1.63 O ATOM 373 CB HIS A 24 7.186 -1.052 -0.994 1.00 1.58 C ATOM 374 CG HIS A 24 8.498 -0.323 -0.887 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.360 -0.523 0.166 1.00 1.78 N ATOM 376 CD2 HIS A 24 9.084 0.615 -1.676 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.420 0.245 0.024 1.00 1.88 C ATOM 378 NE2 HIS A 24 10.280 0.948 -1.082 1.00 1.86 N ATOM 0 H HIS A 24 6.075 -3.457 -1.780 1.00 1.45 H new ATOM 0 HA HIS A 24 6.498 -0.767 -2.994 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.392 -0.374 -0.679 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.197 -1.880 -0.286 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.202 -1.169 0.940 1.00 1.78 H new ATOM 0 HD2 HIS A 24 8.687 1.022 -2.594 1.00 1.75 H new ATOM 0 HE1 HIS A 24 11.262 0.291 0.699 1.00 1.88 H new ATOM 387 N SER A 25 7.883 -2.428 -4.393 1.00 1.68 N ATOM 388 CA SER A 25 8.900 -3.058 -5.236 1.00 1.77 C ATOM 389 C SER A 25 8.963 -4.569 -4.989 1.00 1.80 C ATOM 390 O SER A 25 8.742 -5.365 -5.898 1.00 1.90 O ATOM 391 CB SER A 25 10.274 -2.418 -5.021 1.00 1.78 C ATOM 392 OG SER A 25 10.197 -1.003 -5.077 1.00 1.90 O ATOM 0 H SER A 25 7.063 -2.113 -4.912 1.00 1.68 H new ATOM 0 HA SER A 25 8.612 -2.895 -6.274 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.673 -2.725 -4.054 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.968 -2.777 -5.781 1.00 1.78 H new ATOM 0 HG SER A 25 11.088 -0.621 -4.935 1.00 1.90 H new ATOM 398 N ASN A 26 9.259 -4.955 -3.755 1.00 1.77 N ATOM 399 CA ASN A 26 9.347 -6.360 -3.381 1.00 1.82 C ATOM 400 C ASN A 26 8.602 -6.600 -2.072 1.00 1.75 C ATOM 401 O ASN A 26 8.019 -7.665 -1.855 1.00 1.87 O ATOM 402 CB ASN A 26 10.811 -6.785 -3.244 1.00 1.95 C ATOM 403 CG ASN A 26 10.967 -8.287 -3.119 1.00 2.06 C ATOM 404 OD1 ASN A 26 10.976 -8.835 -2.018 1.00 2.28 O ATOM 405 ND2 ASN A 26 11.102 -8.960 -4.250 1.00 2.32 N ATOM 0 H ASN A 26 9.444 -4.307 -2.989 1.00 1.77 H new ATOM 0 HA ASN A 26 8.885 -6.960 -4.165 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.371 -6.435 -4.111 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.246 -6.303 -2.368 1.00 1.95 H new ATOM 0 HD21 ASN A 26 11.219 -9.973 -4.230 1.00 2.32 H new ATOM 0 HD22 ASN A 26 11.089 -8.466 -5.142 1.00 2.32 H new ATOM 412 N GLU A 27 8.635 -5.598 -1.202 1.00 1.66 N ATOM 413 CA GLU A 27 7.955 -5.666 0.083 1.00 1.60 C ATOM 414 C GLU A 27 6.443 -5.698 -0.123 1.00 1.47 C ATOM 415 O GLU A 27 5.891 -4.849 -0.818 1.00 1.48 O ATOM 416 CB GLU A 27 8.350 -4.454 0.931 1.00 1.63 C ATOM 417 CG GLU A 27 7.443 -4.206 2.122 1.00 1.89 C ATOM 418 CD GLU A 27 7.615 -2.818 2.701 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.301 -1.984 2.071 1.00 2.14 O ATOM 420 OE2 GLU A 27 7.052 -2.550 3.785 1.00 2.24 O ATOM 0 H GLU A 27 9.131 -4.722 -1.367 1.00 1.66 H new ATOM 0 HA GLU A 27 8.251 -6.578 0.601 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.371 -4.592 1.288 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.351 -3.567 0.298 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.405 -4.344 1.819 1.00 1.89 H new ATOM 0 HG3 GLU A 27 7.651 -4.947 2.894 1.00 1.89 H new ATOM 427 N ARG A 28 5.776 -6.678 0.469 1.00 1.44 N ATOM 428 CA ARG A 28 4.332 -6.801 0.327 1.00 1.33 C ATOM 429 C ARG A 28 3.664 -6.956 1.691 1.00 1.28 C ATOM 430 O ARG A 28 3.884 -7.943 2.394 1.00 1.36 O ATOM 431 CB ARG A 28 3.994 -7.989 -0.582 1.00 1.41 C ATOM 432 CG ARG A 28 2.502 -8.197 -0.820 1.00 1.45 C ATOM 433 CD ARG A 28 1.890 -9.125 0.220 1.00 1.48 C ATOM 434 NE ARG A 28 0.669 -9.780 -0.253 1.00 1.48 N ATOM 435 CZ ARG A 28 -0.541 -9.564 0.258 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.728 -8.613 1.165 1.00 1.47 N ATOM 437 NH2 ARG A 28 -1.577 -10.273 -0.166 1.00 1.92 N ATOM 0 H ARG A 28 6.209 -7.396 1.050 1.00 1.44 H new ATOM 0 HA ARG A 28 3.948 -5.890 -0.131 1.00 1.33 H new ATOM 0 HB2 ARG A 28 4.486 -7.846 -1.544 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.409 -8.896 -0.143 1.00 1.41 H new ATOM 0 HG2 ARG A 28 1.992 -7.234 -0.794 1.00 1.45 H new ATOM 0 HG3 ARG A 28 2.347 -8.613 -1.815 1.00 1.45 H new ATOM 0 HD2 ARG A 28 2.621 -9.885 0.497 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.665 -8.555 1.122 1.00 1.48 H new ATOM 0 HE ARG A 28 0.751 -10.444 -1.023 1.00 1.48 H new ATOM 0 HH11 ARG A 28 0.058 -8.042 1.475 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -1.658 -8.453 1.552 1.00 1.47 H new ATOM 0 HH21 ARG A 28 -1.448 -10.985 -0.885 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -2.504 -10.107 0.226 1.00 1.92 H new ATOM 451 N TYR A 29 2.855 -5.976 2.061 1.00 1.17 N ATOM 452 CA TYR A 29 2.143 -6.000 3.332 1.00 1.13 C ATOM 453 C TYR A 29 0.641 -6.091 3.074 1.00 1.01 C ATOM 454 O TYR A 29 0.185 -5.842 1.956 1.00 1.00 O ATOM 455 CB TYR A 29 2.464 -4.743 4.153 1.00 1.13 C ATOM 456 CG TYR A 29 3.820 -4.758 4.836 1.00 1.30 C ATOM 457 CD1 TYR A 29 4.805 -5.668 4.475 1.00 1.60 C ATOM 458 CD2 TYR A 29 4.111 -3.848 5.844 1.00 1.52 C ATOM 459 CE1 TYR A 29 6.038 -5.674 5.099 1.00 1.88 C ATOM 460 CE2 TYR A 29 5.342 -3.844 6.471 1.00 1.82 C ATOM 461 CZ TYR A 29 6.303 -4.758 6.095 1.00 1.91 C ATOM 462 OH TYR A 29 7.535 -4.760 6.716 1.00 2.29 O ATOM 0 H TYR A 29 2.673 -5.147 1.495 1.00 1.17 H new ATOM 0 HA TYR A 29 2.465 -6.872 3.901 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.413 -3.874 3.496 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.692 -4.615 4.912 1.00 1.13 H new ATOM 0 HD1 TYR A 29 4.604 -6.384 3.692 1.00 1.60 H new ATOM 0 HD2 TYR A 29 3.361 -3.130 6.143 1.00 1.52 H new ATOM 0 HE1 TYR A 29 6.790 -6.392 4.808 1.00 1.88 H new ATOM 0 HE2 TYR A 29 5.551 -3.128 7.252 1.00 1.82 H new ATOM 0 HH TYR A 29 7.561 -4.052 7.393 1.00 2.29 H new ATOM 472 N ASP A 30 -0.118 -6.466 4.091 1.00 0.98 N ATOM 473 CA ASP A 30 -1.569 -6.582 3.961 1.00 0.90 C ATOM 474 C ASP A 30 -2.242 -5.579 4.887 1.00 0.84 C ATOM 475 O ASP A 30 -2.064 -5.636 6.105 1.00 0.96 O ATOM 476 CB ASP A 30 -2.032 -8.005 4.292 1.00 0.97 C ATOM 477 CG ASP A 30 -3.226 -8.446 3.465 1.00 1.07 C ATOM 478 OD1 ASP A 30 -3.106 -8.482 2.222 1.00 1.28 O ATOM 479 OD2 ASP A 30 -4.276 -8.781 4.050 1.00 1.34 O ATOM 0 H ASP A 30 0.243 -6.696 5.017 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.850 -6.367 2.930 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -1.207 -8.698 4.127 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -2.289 -8.061 5.350 1.00 0.97 H new ATOM 484 N LEU A 31 -2.996 -4.655 4.308 1.00 0.71 N ATOM 485 CA LEU A 31 -3.674 -3.622 5.085 1.00 0.66 C ATOM 486 C LEU A 31 -5.181 -3.693 4.871 1.00 0.58 C ATOM 487 O LEU A 31 -5.643 -4.065 3.796 1.00 0.59 O ATOM 488 CB LEU A 31 -3.152 -2.238 4.676 1.00 0.66 C ATOM 489 CG LEU A 31 -2.728 -1.308 5.821 1.00 0.77 C ATOM 490 CD1 LEU A 31 -3.942 -0.779 6.573 1.00 0.95 C ATOM 491 CD2 LEU A 31 -1.778 -2.020 6.775 1.00 0.98 C ATOM 0 H LEU A 31 -3.155 -4.598 3.302 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.467 -3.788 6.142 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.298 -2.376 4.013 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.928 -1.737 4.097 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.202 -0.459 5.384 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -3.613 -0.123 7.379 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.580 -0.221 5.888 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.503 -1.614 6.991 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -1.492 -1.341 7.578 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.274 -2.893 7.198 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -0.887 -2.336 6.233 1.00 0.98 H new ATOM 503 N LEU A 32 -5.941 -3.354 5.902 1.00 0.55 N ATOM 504 CA LEU A 32 -7.394 -3.366 5.818 1.00 0.52 C ATOM 505 C LEU A 32 -7.890 -2.137 5.057 1.00 0.43 C ATOM 506 O LEU A 32 -7.333 -1.050 5.202 1.00 0.43 O ATOM 507 CB LEU A 32 -8.002 -3.386 7.222 1.00 0.60 C ATOM 508 CG LEU A 32 -9.530 -3.319 7.269 1.00 0.73 C ATOM 509 CD1 LEU A 32 -10.120 -4.705 7.457 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.990 -2.386 8.376 1.00 0.85 C ATOM 0 H LEU A 32 -5.574 -3.066 6.809 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.704 -4.263 5.282 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.678 -4.295 7.728 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.599 -2.546 7.787 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.885 -2.923 6.318 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -11.207 -4.636 7.488 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.820 -5.344 6.626 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -9.757 -5.131 8.392 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -11.079 -2.352 8.394 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.623 -2.751 9.335 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.598 -1.385 8.195 1.00 0.85 H new ATOM 522 N VAL A 33 -8.930 -2.318 4.249 1.00 0.41 N ATOM 523 CA VAL A 33 -9.500 -1.217 3.483 1.00 0.36 C ATOM 524 C VAL A 33 -10.178 -0.219 4.423 1.00 0.41 C ATOM 525 O VAL A 33 -10.730 -0.606 5.459 1.00 0.51 O ATOM 526 CB VAL A 33 -10.490 -1.736 2.403 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.887 -1.153 2.563 1.00 0.49 C ATOM 528 CG2 VAL A 33 -9.953 -1.445 1.009 1.00 0.56 C ATOM 0 H VAL A 33 -9.394 -3.215 4.108 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.692 -0.705 2.961 1.00 0.36 H new ATOM 0 HB VAL A 33 -10.575 -2.814 2.541 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.538 -1.549 1.783 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.285 -1.425 3.541 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.840 -0.067 2.480 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.657 -1.814 0.263 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.825 -0.370 0.886 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -8.992 -1.942 0.878 1.00 0.56 H new ATOM 538 N THR A 34 -10.126 1.053 4.057 1.00 0.39 N ATOM 539 CA THR A 34 -10.703 2.116 4.866 1.00 0.48 C ATOM 540 C THR A 34 -12.233 2.094 4.820 1.00 0.59 C ATOM 541 O THR A 34 -12.837 2.329 3.773 1.00 0.65 O ATOM 542 CB THR A 34 -10.194 3.486 4.389 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.849 3.359 3.906 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.236 4.507 5.516 1.00 0.64 C ATOM 0 H THR A 34 -9.685 1.376 3.196 1.00 0.39 H new ATOM 0 HA THR A 34 -10.390 1.948 5.897 1.00 0.48 H new ATOM 0 HB THR A 34 -10.844 3.833 3.586 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.851 2.868 3.058 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.871 5.467 5.151 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.262 4.619 5.867 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.606 4.168 6.338 1.00 0.64 H new ATOM 552 N PRO A 35 -12.875 1.804 5.966 1.00 0.73 N ATOM 553 CA PRO A 35 -14.328 1.750 6.070 1.00 0.89 C ATOM 554 C PRO A 35 -14.939 3.120 6.374 1.00 0.93 C ATOM 555 O PRO A 35 -14.386 4.150 5.979 1.00 0.93 O ATOM 556 CB PRO A 35 -14.532 0.784 7.235 1.00 1.07 C ATOM 557 CG PRO A 35 -13.351 0.994 8.125 1.00 1.07 C ATOM 558 CD PRO A 35 -12.225 1.500 7.257 1.00 0.82 C ATOM 0 HA PRO A 35 -14.811 1.438 5.144 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.464 0.992 7.761 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.585 -0.248 6.887 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.584 1.712 8.911 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.069 0.063 8.617 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.758 2.386 7.687 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.442 0.750 7.142 1.00 0.82 H new ATOM 566 N GLN A 36 -16.080 3.115 7.068 1.00 1.02 N ATOM 567 CA GLN A 36 -16.787 4.338 7.438 1.00 1.13 C ATOM 568 C GLN A 36 -17.326 5.043 6.197 1.00 1.16 C ATOM 569 O GLN A 36 -17.276 6.270 6.084 1.00 1.24 O ATOM 570 CB GLN A 36 -15.891 5.281 8.253 1.00 1.16 C ATOM 571 CG GLN A 36 -15.751 4.884 9.718 1.00 1.38 C ATOM 572 CD GLN A 36 -14.535 4.014 9.987 1.00 1.95 C ATOM 573 OE1 GLN A 36 -13.500 4.152 9.337 1.00 2.47 O ATOM 574 NE2 GLN A 36 -14.649 3.112 10.951 1.00 2.33 N ATOM 0 H GLN A 36 -16.538 2.261 7.388 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.629 4.056 8.070 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -14.901 5.310 7.798 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.297 6.291 8.197 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -15.687 5.785 10.328 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -16.648 4.350 10.031 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -15.524 3.027 11.469 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -13.862 2.503 11.175 1.00 2.33 H new ATOM 583 N GLN A 37 -17.841 4.249 5.269 1.00 1.15 N ATOM 584 CA GLN A 37 -18.404 4.775 4.036 1.00 1.23 C ATOM 585 C GLN A 37 -19.516 3.857 3.546 1.00 1.30 C ATOM 586 O GLN A 37 -20.695 4.109 3.791 1.00 1.64 O ATOM 587 CB GLN A 37 -17.323 4.918 2.959 1.00 1.16 C ATOM 588 CG GLN A 37 -17.449 6.180 2.109 1.00 1.33 C ATOM 589 CD GLN A 37 -18.854 6.407 1.580 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.230 5.875 0.538 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.633 7.209 2.289 1.00 1.82 N ATOM 0 H GLN A 37 -17.880 3.233 5.349 1.00 1.15 H new ATOM 0 HA GLN A 37 -18.815 5.764 4.236 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.345 4.913 3.439 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -17.361 4.047 2.304 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.148 7.042 2.704 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.757 6.115 1.269 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.283 7.631 3.149 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.584 7.405 1.975 1.00 1.82 H new ATOM 600 N GLY A 38 -19.138 2.786 2.871 1.00 1.14 N ATOM 601 CA GLY A 38 -20.117 1.859 2.361 1.00 1.21 C ATOM 602 C GLY A 38 -19.549 0.473 2.167 1.00 1.14 C ATOM 603 O GLY A 38 -19.704 -0.106 1.098 1.00 1.17 O ATOM 0 H GLY A 38 -18.168 2.543 2.668 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -20.961 1.810 3.049 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.502 2.228 1.410 1.00 1.21 H new ATOM 607 N ASN A 39 -18.882 -0.034 3.214 1.00 1.13 N ATOM 608 CA ASN A 39 -18.263 -1.376 3.239 1.00 1.11 C ATOM 609 C ASN A 39 -17.454 -1.706 1.972 1.00 0.97 C ATOM 610 O ASN A 39 -16.232 -1.551 1.962 1.00 0.89 O ATOM 611 CB ASN A 39 -19.295 -2.487 3.553 1.00 1.30 C ATOM 612 CG ASN A 39 -20.558 -2.448 2.706 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.588 -2.961 1.586 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.614 -1.863 3.247 1.00 1.70 N ATOM 0 H ASN A 39 -18.753 0.482 4.084 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.544 -1.345 4.058 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -18.815 -3.456 3.419 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.577 -2.414 4.603 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.495 -1.825 2.734 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.548 -1.450 4.177 1.00 1.70 H new ATOM 621 N SER A 40 -18.122 -2.165 0.922 1.00 1.02 N ATOM 622 CA SER A 40 -17.463 -2.513 -0.331 1.00 0.95 C ATOM 623 C SER A 40 -16.941 -1.259 -1.030 1.00 0.87 C ATOM 624 O SER A 40 -16.035 -1.325 -1.863 1.00 0.82 O ATOM 625 CB SER A 40 -18.444 -3.257 -1.239 1.00 1.07 C ATOM 626 OG SER A 40 -19.280 -4.122 -0.482 1.00 1.30 O ATOM 0 H SER A 40 -19.132 -2.306 0.914 1.00 1.02 H new ATOM 0 HA SER A 40 -16.614 -3.161 -0.114 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.056 -2.539 -1.785 1.00 1.07 H new ATOM 0 HB3 SER A 40 -17.893 -3.835 -1.981 1.00 1.07 H new ATOM 0 HG SER A 40 -19.826 -3.592 0.135 1.00 1.30 H new ATOM 632 N GLU A 41 -17.536 -0.124 -0.692 1.00 0.92 N ATOM 633 CA GLU A 41 -17.139 1.158 -1.253 1.00 0.88 C ATOM 634 C GLU A 41 -16.409 1.978 -0.194 1.00 0.81 C ATOM 635 O GLU A 41 -17.038 2.547 0.700 1.00 0.90 O ATOM 636 CB GLU A 41 -18.359 1.924 -1.769 1.00 1.02 C ATOM 637 CG GLU A 41 -18.989 1.303 -3.006 1.00 1.34 C ATOM 638 CD GLU A 41 -20.264 2.004 -3.428 1.00 1.49 C ATOM 639 OE1 GLU A 41 -21.304 1.807 -2.765 1.00 1.83 O ATOM 640 OE2 GLU A 41 -20.236 2.749 -4.432 1.00 1.73 O ATOM 0 H GLU A 41 -18.304 -0.066 -0.024 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.469 0.980 -2.094 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.107 1.975 -0.978 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.065 2.949 -1.997 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -18.273 1.334 -3.828 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -19.205 0.253 -2.810 1.00 1.34 H new ATOM 647 N PRO A 42 -15.068 2.017 -0.260 1.00 0.69 N ATOM 648 CA PRO A 42 -14.238 2.757 0.694 1.00 0.67 C ATOM 649 C PRO A 42 -14.226 4.263 0.428 1.00 0.69 C ATOM 650 O PRO A 42 -14.727 4.731 -0.597 1.00 0.77 O ATOM 651 CB PRO A 42 -12.829 2.179 0.483 1.00 0.60 C ATOM 652 CG PRO A 42 -12.979 1.062 -0.500 1.00 0.62 C ATOM 653 CD PRO A 42 -14.245 1.331 -1.256 1.00 0.64 C ATOM 0 HA PRO A 42 -14.616 2.647 1.710 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.148 2.942 0.105 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.412 1.817 1.423 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.124 1.022 -1.175 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -13.028 0.100 0.010 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.069 1.952 -2.134 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.713 0.410 -1.605 1.00 0.64 H new ATOM 661 N VAL A 43 -13.644 5.014 1.359 1.00 0.67 N ATOM 662 CA VAL A 43 -13.552 6.465 1.230 1.00 0.72 C ATOM 663 C VAL A 43 -12.503 6.845 0.187 1.00 0.65 C ATOM 664 O VAL A 43 -11.734 6.001 -0.261 1.00 0.58 O ATOM 665 CB VAL A 43 -13.195 7.139 2.575 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.254 6.850 3.626 1.00 0.90 C ATOM 667 CG2 VAL A 43 -11.826 6.687 3.061 1.00 0.67 C ATOM 0 H VAL A 43 -13.228 4.641 2.212 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.533 6.820 0.914 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.162 8.216 2.410 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -13.979 7.335 4.563 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.217 7.233 3.288 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.327 5.774 3.783 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.597 7.175 4.009 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -11.828 5.606 3.200 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.071 6.956 2.323 1.00 0.67 H new ATOM 677 N VAL A 44 -12.456 8.117 -0.188 1.00 0.72 N ATOM 678 CA VAL A 44 -11.485 8.575 -1.181 1.00 0.71 C ATOM 679 C VAL A 44 -10.077 8.613 -0.592 1.00 0.66 C ATOM 680 O VAL A 44 -9.087 8.610 -1.320 1.00 0.68 O ATOM 681 CB VAL A 44 -11.844 9.967 -1.742 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.091 9.886 -2.609 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.036 10.971 -0.613 1.00 0.98 C ATOM 0 H VAL A 44 -13.071 8.846 0.174 1.00 0.72 H new ATOM 0 HA VAL A 44 -11.515 7.857 -2.001 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.016 10.311 -2.363 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.330 10.876 -2.996 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -12.912 9.205 -3.441 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -13.926 9.519 -2.012 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -12.288 11.945 -1.032 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -12.843 10.636 0.039 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -11.114 11.051 -0.037 1.00 0.98 H new ATOM 693 N GLN A 45 -10.002 8.621 0.733 1.00 0.66 N ATOM 694 CA GLN A 45 -8.723 8.657 1.436 1.00 0.65 C ATOM 695 C GLN A 45 -8.172 7.248 1.620 1.00 0.57 C ATOM 696 O GLN A 45 -7.088 7.059 2.171 1.00 0.62 O ATOM 697 CB GLN A 45 -8.885 9.325 2.803 1.00 0.74 C ATOM 698 CG GLN A 45 -9.482 10.719 2.737 1.00 1.07 C ATOM 699 CD GLN A 45 -9.360 11.471 4.044 1.00 1.44 C ATOM 700 OE1 GLN A 45 -9.421 10.888 5.124 1.00 1.88 O ATOM 701 NE2 GLN A 45 -9.184 12.777 3.950 1.00 1.94 N ATOM 0 H GLN A 45 -10.816 8.603 1.347 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.022 9.236 0.834 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.518 8.698 3.431 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -7.910 9.380 3.288 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -8.985 11.285 1.949 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -10.534 10.646 2.462 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -9.139 13.221 3.033 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -9.093 13.341 4.795 1.00 1.94 H new ATOM 710 N ASP A 46 -8.929 6.271 1.135 1.00 0.49 N ATOM 711 CA ASP A 46 -8.558 4.865 1.241 1.00 0.42 C ATOM 712 C ASP A 46 -7.215 4.590 0.580 1.00 0.41 C ATOM 713 O ASP A 46 -6.299 4.072 1.216 1.00 0.46 O ATOM 714 CB ASP A 46 -9.642 3.989 0.604 1.00 0.38 C ATOM 715 CG ASP A 46 -9.244 2.532 0.522 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.192 1.871 1.583 1.00 0.32 O ATOM 717 OD2 ASP A 46 -8.980 2.045 -0.603 1.00 0.31 O ATOM 0 H ASP A 46 -9.816 6.431 0.658 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.467 4.622 2.300 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.561 4.078 1.183 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -9.859 4.359 -0.398 1.00 0.38 H new ATOM 722 N LEU A 47 -7.095 4.982 -0.683 1.00 0.46 N ATOM 723 CA LEU A 47 -5.871 4.766 -1.457 1.00 0.54 C ATOM 724 C LEU A 47 -4.633 5.321 -0.752 1.00 0.56 C ATOM 725 O LEU A 47 -3.527 4.808 -0.928 1.00 0.65 O ATOM 726 CB LEU A 47 -6.008 5.400 -2.845 1.00 0.66 C ATOM 727 CG LEU A 47 -6.306 6.903 -2.851 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.049 7.699 -3.143 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.385 7.228 -3.866 1.00 1.00 C ATOM 0 H LEU A 47 -7.836 5.456 -1.200 1.00 0.46 H new ATOM 0 HA LEU A 47 -5.736 3.689 -1.555 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.085 5.227 -3.398 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -6.804 4.886 -3.384 1.00 0.66 H new ATOM 0 HG LEU A 47 -6.666 7.182 -1.861 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.284 8.763 -3.142 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.301 7.492 -2.377 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -4.657 7.415 -4.119 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.583 8.300 -3.856 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -7.051 6.930 -4.860 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -8.297 6.688 -3.613 1.00 1.00 H new ATOM 741 N ALA A 48 -4.826 6.357 0.050 1.00 0.58 N ATOM 742 CA ALA A 48 -3.725 6.976 0.768 1.00 0.69 C ATOM 743 C ALA A 48 -3.484 6.280 2.104 1.00 0.67 C ATOM 744 O ALA A 48 -2.348 5.971 2.450 1.00 0.76 O ATOM 745 CB ALA A 48 -4.001 8.458 0.979 1.00 0.83 C ATOM 0 H ALA A 48 -5.736 6.786 0.219 1.00 0.58 H new ATOM 0 HA ALA A 48 -2.822 6.870 0.167 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.168 8.910 1.518 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.116 8.948 0.012 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -4.917 8.579 1.558 1.00 0.83 H new ATOM 751 N GLN A 49 -4.560 6.014 2.838 1.00 0.60 N ATOM 752 CA GLN A 49 -4.465 5.372 4.148 1.00 0.62 C ATOM 753 C GLN A 49 -3.865 3.972 4.050 1.00 0.59 C ATOM 754 O GLN A 49 -3.071 3.576 4.903 1.00 0.66 O ATOM 755 CB GLN A 49 -5.845 5.294 4.806 1.00 0.62 C ATOM 756 CG GLN A 49 -5.798 4.846 6.259 1.00 0.95 C ATOM 757 CD GLN A 49 -6.130 5.964 7.224 1.00 1.27 C ATOM 758 OE1 GLN A 49 -7.282 6.125 7.632 1.00 1.86 O ATOM 759 NE2 GLN A 49 -5.132 6.757 7.582 1.00 1.43 N ATOM 0 H GLN A 49 -5.513 6.234 2.548 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.803 5.983 4.761 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.321 6.273 4.751 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.470 4.603 4.241 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.500 4.025 6.405 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -4.804 4.460 6.484 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -4.193 6.589 7.221 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -5.302 7.536 8.218 1.00 1.43 H new ATOM 768 N LEU A 50 -4.239 3.239 3.005 1.00 0.52 N ATOM 769 CA LEU A 50 -3.759 1.872 2.800 1.00 0.53 C ATOM 770 C LEU A 50 -2.238 1.790 2.807 1.00 0.65 C ATOM 771 O LEU A 50 -1.655 0.955 3.496 1.00 0.72 O ATOM 772 CB LEU A 50 -4.281 1.316 1.474 1.00 0.46 C ATOM 773 CG LEU A 50 -5.802 1.230 1.349 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.190 0.792 -0.055 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.382 0.282 2.388 1.00 0.40 C ATOM 0 H LEU A 50 -4.877 3.570 2.282 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.138 1.277 3.631 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -3.902 1.940 0.664 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.865 0.319 1.329 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.218 2.221 1.533 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.276 0.735 -0.131 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -5.813 1.515 -0.779 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.759 -0.188 -0.263 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.465 0.239 2.277 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -5.963 -0.714 2.246 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.134 0.641 3.387 1.00 0.40 H new ATOM 787 N VAL A 51 -1.602 2.659 2.039 1.00 0.70 N ATOM 788 CA VAL A 51 -0.153 2.665 1.945 1.00 0.84 C ATOM 789 C VAL A 51 0.475 3.406 3.129 1.00 0.90 C ATOM 790 O VAL A 51 1.558 3.048 3.596 1.00 1.01 O ATOM 791 CB VAL A 51 0.308 3.277 0.601 1.00 0.90 C ATOM 792 CG1 VAL A 51 -0.145 4.723 0.462 1.00 1.56 C ATOM 793 CG2 VAL A 51 1.813 3.157 0.439 1.00 1.37 C ATOM 0 H VAL A 51 -2.066 3.369 1.472 1.00 0.70 H new ATOM 0 HA VAL A 51 0.189 1.631 1.981 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.164 2.709 -0.200 1.00 0.90 H new ATOM 0 HG11 VAL A 51 0.196 5.121 -0.494 1.00 1.56 H new ATOM 0 HG12 VAL A 51 -1.233 4.769 0.507 1.00 1.56 H new ATOM 0 HG13 VAL A 51 0.277 5.316 1.273 1.00 1.56 H new ATOM 0 HG21 VAL A 51 2.112 3.594 -0.513 1.00 1.37 H new ATOM 0 HG22 VAL A 51 2.310 3.685 1.253 1.00 1.37 H new ATOM 0 HG23 VAL A 51 2.099 2.105 0.461 1.00 1.37 H new ATOM 803 N GLU A 52 -0.230 4.412 3.638 1.00 0.86 N ATOM 804 CA GLU A 52 0.249 5.201 4.764 1.00 0.93 C ATOM 805 C GLU A 52 0.372 4.349 6.028 1.00 0.95 C ATOM 806 O GLU A 52 1.442 4.276 6.640 1.00 1.07 O ATOM 807 CB GLU A 52 -0.699 6.379 5.010 1.00 0.91 C ATOM 808 CG GLU A 52 -0.339 7.220 6.221 1.00 1.13 C ATOM 809 CD GLU A 52 -1.305 8.364 6.434 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.437 8.113 6.901 1.00 1.37 O ATOM 811 OE2 GLU A 52 -0.937 9.523 6.133 1.00 1.40 O ATOM 0 H GLU A 52 -1.142 4.700 3.284 1.00 0.86 H new ATOM 0 HA GLU A 52 1.242 5.579 4.519 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.705 7.017 4.126 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.712 5.997 5.134 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.327 6.588 7.109 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.669 7.617 6.098 1.00 1.13 H new ATOM 818 N GLU A 53 -0.712 3.672 6.391 1.00 0.86 N ATOM 819 CA GLU A 53 -0.738 2.846 7.596 1.00 0.89 C ATOM 820 C GLU A 53 -0.018 1.513 7.380 1.00 0.93 C ATOM 821 O GLU A 53 0.028 0.666 8.274 1.00 1.01 O ATOM 822 CB GLU A 53 -2.184 2.608 8.044 1.00 0.85 C ATOM 823 CG GLU A 53 -2.304 2.192 9.505 1.00 1.33 C ATOM 824 CD GLU A 53 -3.738 2.097 9.986 1.00 1.45 C ATOM 825 OE1 GLU A 53 -4.379 1.049 9.760 1.00 1.81 O ATOM 826 OE2 GLU A 53 -4.222 3.064 10.614 1.00 1.99 O ATOM 0 H GLU A 53 -1.587 3.678 5.867 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.207 3.384 8.381 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.761 3.519 7.885 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.629 1.836 7.416 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -1.818 1.226 9.642 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -1.767 2.910 10.125 1.00 1.33 H new ATOM 833 N ALA A 54 0.570 1.340 6.206 1.00 0.93 N ATOM 834 CA ALA A 54 1.286 0.113 5.888 1.00 1.00 C ATOM 835 C ALA A 54 2.638 0.066 6.594 1.00 1.15 C ATOM 836 O ALA A 54 3.304 -0.967 6.596 1.00 1.28 O ATOM 837 CB ALA A 54 1.468 -0.025 4.384 1.00 1.06 C ATOM 0 H ALA A 54 0.566 2.033 5.458 1.00 0.93 H new ATOM 0 HA ALA A 54 0.689 -0.726 6.246 1.00 1.00 H new ATOM 0 HB1 ALA A 54 2.005 -0.948 4.166 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.492 -0.050 3.900 1.00 1.06 H new ATOM 0 HB3 ALA A 54 2.038 0.824 4.007 1.00 1.06 H new ATOM 843 N THR A 55 3.042 1.196 7.174 1.00 1.21 N ATOM 844 CA THR A 55 4.315 1.293 7.892 1.00 1.38 C ATOM 845 C THR A 55 4.413 2.597 8.676 1.00 1.40 C ATOM 846 O THR A 55 5.120 2.673 9.680 1.00 1.55 O ATOM 847 CB THR A 55 5.530 1.214 6.938 1.00 1.60 C ATOM 848 OG1 THR A 55 5.110 1.395 5.579 1.00 1.81 O ATOM 849 CG2 THR A 55 6.254 -0.116 7.083 1.00 1.77 C ATOM 0 H THR A 55 2.503 2.062 7.161 1.00 1.21 H new ATOM 0 HA THR A 55 4.337 0.443 8.574 1.00 1.38 H new ATOM 0 HB THR A 55 6.221 2.013 7.208 1.00 1.60 H new ATOM 0 HG1 THR A 55 4.435 2.104 5.537 1.00 1.81 H new ATOM 0 HG21 THR A 55 7.104 -0.144 6.401 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.608 -0.228 8.108 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.570 -0.930 6.844 1.00 1.77 H new ATOM 857 N GLY A 56 3.691 3.613 8.215 1.00 1.30 N ATOM 858 CA GLY A 56 3.729 4.912 8.862 1.00 1.34 C ATOM 859 C GLY A 56 4.450 5.921 7.995 1.00 1.42 C ATOM 860 O GLY A 56 5.268 6.705 8.476 1.00 1.55 O ATOM 0 H GLY A 56 3.078 3.560 7.402 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.713 5.255 9.060 1.00 1.34 H new ATOM 0 HA3 GLY A 56 4.231 4.829 9.826 1.00 1.34 H new ATOM 864 N VAL A 57 4.129 5.904 6.709 1.00 1.37 N ATOM 865 CA VAL A 57 4.762 6.792 5.742 1.00 1.46 C ATOM 866 C VAL A 57 3.830 7.938 5.365 1.00 1.37 C ATOM 867 O VAL A 57 2.641 7.720 5.143 1.00 1.26 O ATOM 868 CB VAL A 57 5.141 6.033 4.451 1.00 1.55 C ATOM 869 CG1 VAL A 57 6.354 6.659 3.785 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.384 4.560 4.734 1.00 1.63 C ATOM 0 H VAL A 57 3.429 5.280 6.308 1.00 1.37 H new ATOM 0 HA VAL A 57 5.663 7.185 6.214 1.00 1.46 H new ATOM 0 HB VAL A 57 4.299 6.111 3.763 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.598 6.105 2.879 1.00 1.70 H new ATOM 0 HG12 VAL A 57 6.134 7.695 3.528 1.00 1.70 H new ATOM 0 HG13 VAL A 57 7.202 6.627 4.469 1.00 1.70 H new ATOM 0 HG21 VAL A 57 5.649 4.050 3.808 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.199 4.457 5.451 1.00 1.63 H new ATOM 0 HG23 VAL A 57 4.479 4.115 5.147 1.00 1.63 H new ATOM 880 N PRO A 58 4.344 9.181 5.316 1.00 1.45 N ATOM 881 CA PRO A 58 3.547 10.347 4.931 1.00 1.41 C ATOM 882 C PRO A 58 3.198 10.333 3.443 1.00 1.35 C ATOM 883 O PRO A 58 3.900 9.714 2.639 1.00 1.39 O ATOM 884 CB PRO A 58 4.459 11.544 5.244 1.00 1.56 C ATOM 885 CG PRO A 58 5.577 10.993 6.061 1.00 1.67 C ATOM 886 CD PRO A 58 5.722 9.557 5.658 1.00 1.63 C ATOM 0 HA PRO A 58 2.595 10.375 5.461 1.00 1.41 H new ATOM 0 HB2 PRO A 58 4.832 12.003 4.328 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.918 12.317 5.790 1.00 1.56 H new ATOM 0 HG2 PRO A 58 6.500 11.543 5.879 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.360 11.078 7.126 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.397 9.440 4.810 1.00 1.63 H new ATOM 0 HD3 PRO A 58 6.120 8.946 6.469 1.00 1.63 H new ATOM 894 N LEU A 59 2.119 11.024 3.086 1.00 1.29 N ATOM 895 CA LEU A 59 1.663 11.096 1.695 1.00 1.26 C ATOM 896 C LEU A 59 2.779 11.515 0.718 1.00 1.34 C ATOM 897 O LEU A 59 3.016 10.814 -0.263 1.00 1.35 O ATOM 898 CB LEU A 59 0.467 12.046 1.559 1.00 1.25 C ATOM 899 CG LEU A 59 -0.893 11.362 1.394 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.014 12.386 1.478 1.00 1.27 C ATOM 901 CD2 LEU A 59 -0.963 10.614 0.070 1.00 1.54 C ATOM 0 H LEU A 59 1.539 11.546 3.743 1.00 1.29 H new ATOM 0 HA LEU A 59 1.357 10.086 1.423 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.429 12.686 2.441 1.00 1.25 H new ATOM 0 HB3 LEU A 59 0.635 12.696 0.700 1.00 1.25 H new ATOM 0 HG LEU A 59 -1.013 10.642 2.203 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -2.974 11.885 1.359 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -1.982 12.882 2.448 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -1.891 13.126 0.687 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -1.938 10.136 -0.027 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -0.820 11.315 -0.752 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.182 9.855 0.039 1.00 1.54 H new ATOM 913 N PRO A 60 3.498 12.642 0.965 1.00 1.42 N ATOM 914 CA PRO A 60 4.572 13.111 0.069 1.00 1.52 C ATOM 915 C PRO A 60 5.850 12.266 0.135 1.00 1.60 C ATOM 916 O PRO A 60 6.942 12.756 -0.158 1.00 1.79 O ATOM 917 CB PRO A 60 4.864 14.541 0.558 1.00 1.61 C ATOM 918 CG PRO A 60 3.765 14.873 1.512 1.00 1.56 C ATOM 919 CD PRO A 60 3.322 13.567 2.096 1.00 1.46 C ATOM 0 HA PRO A 60 4.255 13.046 -0.972 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.837 14.597 1.046 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.885 15.243 -0.275 1.00 1.61 H new ATOM 0 HG2 PRO A 60 4.115 15.551 2.291 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.942 15.372 1.001 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.928 13.279 2.955 1.00 1.46 H new ATOM 0 HD3 PRO A 60 2.287 13.603 2.434 1.00 1.46 H new ATOM 927 N PHE A 61 5.714 11.009 0.524 1.00 1.55 N ATOM 928 CA PHE A 61 6.854 10.104 0.609 1.00 1.63 C ATOM 929 C PHE A 61 6.598 8.841 -0.207 1.00 1.59 C ATOM 930 O PHE A 61 7.529 8.212 -0.718 1.00 1.70 O ATOM 931 CB PHE A 61 7.134 9.728 2.067 1.00 1.66 C ATOM 932 CG PHE A 61 8.254 10.506 2.694 1.00 1.80 C ATOM 933 CD1 PHE A 61 8.115 11.859 2.957 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.448 9.881 3.025 1.00 2.00 C ATOM 935 CE1 PHE A 61 9.145 12.574 3.538 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.478 10.591 3.605 1.00 2.25 C ATOM 937 CZ PHE A 61 10.329 11.939 3.862 1.00 2.34 C ATOM 0 H PHE A 61 4.823 10.589 0.787 1.00 1.55 H new ATOM 0 HA PHE A 61 7.725 10.618 0.202 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.227 9.881 2.652 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.370 8.665 2.118 1.00 1.66 H new ATOM 0 HD1 PHE A 61 7.192 12.360 2.705 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.572 8.827 2.826 1.00 2.00 H new ATOM 0 HE1 PHE A 61 9.025 13.628 3.739 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.402 10.092 3.858 1.00 2.25 H new ATOM 0 HZ PHE A 61 11.136 12.496 4.315 1.00 2.34 H new ATOM 947 N GLN A 62 5.331 8.480 -0.331 1.00 1.47 N ATOM 948 CA GLN A 62 4.944 7.294 -1.072 1.00 1.44 C ATOM 949 C GLN A 62 4.158 7.672 -2.325 1.00 1.40 C ATOM 950 O GLN A 62 3.081 8.264 -2.247 1.00 1.55 O ATOM 951 CB GLN A 62 4.119 6.361 -0.179 1.00 1.38 C ATOM 952 CG GLN A 62 2.844 6.988 0.369 1.00 1.35 C ATOM 953 CD GLN A 62 2.562 6.590 1.802 1.00 1.64 C ATOM 954 OE1 GLN A 62 2.978 5.530 2.263 1.00 2.14 O ATOM 955 NE2 GLN A 62 1.833 7.436 2.507 1.00 1.66 N ATOM 0 H GLN A 62 4.550 8.996 0.075 1.00 1.47 H new ATOM 0 HA GLN A 62 5.847 6.770 -1.385 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.856 5.470 -0.749 1.00 1.38 H new ATOM 0 HB3 GLN A 62 4.738 6.035 0.656 1.00 1.38 H new ATOM 0 HG2 GLN A 62 2.923 8.073 0.307 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.002 6.694 -0.257 1.00 1.35 H new ATOM 0 HE21 GLN A 62 1.509 8.305 2.084 1.00 1.66 H new ATOM 0 HE22 GLN A 62 1.594 7.220 3.475 1.00 1.66 H new ATOM 964 N LYS A 63 4.703 7.342 -3.484 1.00 1.42 N ATOM 965 CA LYS A 63 4.038 7.649 -4.738 1.00 1.38 C ATOM 966 C LYS A 63 3.048 6.545 -5.084 1.00 1.27 C ATOM 967 O LYS A 63 3.357 5.634 -5.852 1.00 1.31 O ATOM 968 CB LYS A 63 5.060 7.818 -5.860 1.00 1.51 C ATOM 969 CG LYS A 63 4.537 8.619 -7.041 1.00 1.64 C ATOM 970 CD LYS A 63 5.518 8.602 -8.201 1.00 1.73 C ATOM 971 CE LYS A 63 5.076 9.531 -9.323 1.00 1.94 C ATOM 972 NZ LYS A 63 5.192 10.961 -8.937 1.00 2.29 N ATOM 0 H LYS A 63 5.599 6.864 -3.582 1.00 1.42 H new ATOM 0 HA LYS A 63 3.496 8.588 -4.626 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.947 8.310 -5.462 1.00 1.51 H new ATOM 0 HB3 LYS A 63 5.371 6.833 -6.208 1.00 1.51 H new ATOM 0 HG2 LYS A 63 3.581 8.209 -7.365 1.00 1.64 H new ATOM 0 HG3 LYS A 63 4.354 9.648 -6.732 1.00 1.64 H new ATOM 0 HD2 LYS A 63 6.505 8.901 -7.848 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.611 7.586 -8.585 1.00 1.73 H new ATOM 0 HE2 LYS A 63 5.682 9.344 -10.209 1.00 1.94 H new ATOM 0 HE3 LYS A 63 4.043 9.310 -9.591 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 5.080 11.559 -9.781 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 4.451 11.195 -8.246 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 6.127 11.132 -8.514 1.00 2.29 H new ATOM 986 N LEU A 64 1.872 6.623 -4.475 1.00 1.16 N ATOM 987 CA LEU A 64 0.815 5.645 -4.692 1.00 1.06 C ATOM 988 C LEU A 64 0.313 5.702 -6.134 1.00 1.05 C ATOM 989 O LEU A 64 -0.143 6.745 -6.601 1.00 1.06 O ATOM 990 CB LEU A 64 -0.341 5.911 -3.715 1.00 0.98 C ATOM 991 CG LEU A 64 -1.246 4.714 -3.386 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.233 4.441 -4.514 1.00 0.99 C ATOM 993 CD2 LEU A 64 -0.417 3.474 -3.092 1.00 1.06 C ATOM 0 H LEU A 64 1.625 7.364 -3.819 1.00 1.16 H new ATOM 0 HA LEU A 64 1.216 4.648 -4.512 1.00 1.06 H new ATOM 0 HB2 LEU A 64 0.079 6.288 -2.783 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -0.962 6.705 -4.129 1.00 0.98 H new ATOM 0 HG LEU A 64 -1.817 4.967 -2.493 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -2.859 3.588 -4.251 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -2.861 5.318 -4.668 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -1.686 4.221 -5.431 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -1.079 2.640 -2.862 1.00 1.06 H new ATOM 0 HD22 LEU A 64 0.189 3.226 -3.964 1.00 1.06 H new ATOM 0 HD23 LEU A 64 0.235 3.666 -2.240 1.00 1.06 H new ATOM 1005 N ILE A 65 0.424 4.583 -6.837 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.033 4.489 -8.218 1.00 1.08 C ATOM 1007 C ILE A 65 -0.758 3.163 -8.451 1.00 1.05 C ATOM 1008 O ILE A 65 -0.130 2.148 -8.766 1.00 1.15 O ATOM 1009 CB ILE A 65 1.134 4.620 -9.232 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.893 5.931 -9.015 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.609 4.550 -10.661 1.00 1.42 C ATOM 1012 CD1 ILE A 65 3.128 6.073 -9.878 1.00 1.42 C ATOM 0 H ILE A 65 0.829 3.722 -6.471 1.00 1.07 H new ATOM 0 HA ILE A 65 -0.718 5.321 -8.382 1.00 1.08 H new ATOM 0 HB ILE A 65 1.821 3.789 -9.069 1.00 1.22 H new ATOM 0 HG12 ILE A 65 1.222 6.766 -9.217 1.00 1.27 H new ATOM 0 HG13 ILE A 65 2.184 6.002 -7.967 1.00 1.27 H new ATOM 0 HG21 ILE A 65 1.441 4.644 -11.359 1.00 1.42 H new ATOM 0 HG22 ILE A 65 0.109 3.594 -10.818 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.099 5.362 -10.829 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.611 7.027 -9.667 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.820 5.259 -9.660 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.843 6.035 -10.930 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.075 3.181 -8.269 1.00 0.93 N ATOM 1025 CA PHE A 66 -2.914 2.001 -8.460 1.00 0.91 C ATOM 1026 C PHE A 66 -4.378 2.388 -8.295 1.00 0.84 C ATOM 1027 O PHE A 66 -4.680 3.541 -7.982 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.549 0.888 -7.471 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.112 -0.393 -8.134 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -2.918 -1.015 -9.075 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -0.900 -0.975 -7.810 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.522 -2.193 -9.677 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -0.497 -2.153 -8.412 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.311 -2.763 -9.348 1.00 1.16 C ATOM 0 H PHE A 66 -2.591 4.014 -7.985 1.00 0.93 H new ATOM 0 HA PHE A 66 -2.745 1.618 -9.467 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.749 1.241 -6.820 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.410 0.682 -6.835 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -3.867 -0.573 -9.340 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -0.261 -0.504 -7.078 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.162 -2.668 -10.406 1.00 1.32 H new ATOM 0 HE2 PHE A 66 0.453 -2.596 -8.151 1.00 1.28 H new ATOM 0 HZ PHE A 66 -0.999 -3.683 -9.820 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.279 1.427 -8.511 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.723 1.653 -8.399 1.00 0.89 C ATOM 1046 C LYS A 67 -7.196 2.678 -9.431 1.00 0.84 C ATOM 1047 O LYS A 67 -8.307 3.198 -9.337 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.112 2.120 -6.986 1.00 1.00 C ATOM 1049 CG LYS A 67 -6.967 1.055 -5.907 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.648 1.483 -4.611 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.483 0.439 -3.516 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.656 0.395 -2.596 1.00 0.54 N ATOM 0 H LYS A 67 -5.030 0.472 -8.768 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.215 0.700 -8.594 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.495 2.978 -6.718 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.146 2.464 -7.003 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.402 0.119 -6.257 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -5.910 0.866 -5.720 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.228 2.431 -4.276 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.709 1.652 -4.796 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -7.343 -0.542 -3.970 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.582 0.656 -2.942 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.689 -0.529 -2.120 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.567 1.148 -1.884 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.530 0.535 -3.141 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.352 2.947 -10.424 1.00 0.89 N ATOM 1067 CA GLY A 68 -6.686 3.915 -11.450 1.00 0.93 C ATOM 1068 C GLY A 68 -6.507 5.338 -10.958 1.00 0.94 C ATOM 1069 O GLY A 68 -6.914 6.293 -11.620 1.00 1.05 O ATOM 0 H GLY A 68 -5.438 2.508 -10.535 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.056 3.750 -12.324 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -7.718 3.767 -11.768 1.00 0.93 H new ATOM 1073 N LYS A 69 -5.882 5.478 -9.793 1.00 0.89 N ATOM 1074 CA LYS A 69 -5.660 6.783 -9.188 1.00 0.93 C ATOM 1075 C LYS A 69 -4.204 6.942 -8.764 1.00 0.96 C ATOM 1076 O LYS A 69 -3.339 6.156 -9.162 1.00 1.05 O ATOM 1077 CB LYS A 69 -6.570 6.955 -7.972 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.006 6.528 -8.222 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.576 5.759 -7.045 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.803 6.448 -6.476 1.00 1.24 C ATOM 1081 NZ LYS A 69 -10.955 6.394 -7.410 1.00 1.50 N ATOM 0 H LYS A 69 -5.519 4.697 -9.247 1.00 0.89 H new ATOM 0 HA LYS A 69 -5.893 7.548 -9.929 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.167 6.375 -7.142 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -6.559 8.001 -7.665 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -8.619 7.409 -8.413 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -8.051 5.908 -9.118 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -8.837 4.749 -7.360 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -7.817 5.664 -6.268 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.079 5.976 -5.533 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.564 7.488 -6.254 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.813 6.721 -6.922 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -10.767 7.007 -8.229 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.093 5.416 -7.734 1.00 1.50 H new ATOM 1095 N SER A 70 -3.942 7.959 -7.957 1.00 0.95 N ATOM 1096 CA SER A 70 -2.604 8.235 -7.459 1.00 1.00 C ATOM 1097 C SER A 70 -2.691 8.867 -6.076 1.00 0.93 C ATOM 1098 O SER A 70 -3.783 9.206 -5.624 1.00 0.89 O ATOM 1099 CB SER A 70 -1.856 9.151 -8.430 1.00 1.17 C ATOM 1100 OG SER A 70 -1.677 8.508 -9.682 1.00 1.46 O ATOM 0 H SER A 70 -4.651 8.615 -7.629 1.00 0.95 H new ATOM 0 HA SER A 70 -2.050 7.300 -7.381 1.00 1.00 H new ATOM 0 HB2 SER A 70 -2.413 10.078 -8.567 1.00 1.17 H new ATOM 0 HB3 SER A 70 -0.886 9.421 -8.011 1.00 1.17 H new ATOM 0 HG SER A 70 -1.199 9.107 -10.292 1.00 1.46 H new ATOM 1106 N LEU A 71 -1.543 9.004 -5.416 1.00 1.01 N ATOM 1107 CA LEU A 71 -1.469 9.579 -4.073 1.00 0.99 C ATOM 1108 C LEU A 71 -2.215 10.915 -3.978 1.00 1.00 C ATOM 1109 O LEU A 71 -1.808 11.924 -4.561 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.002 9.744 -3.632 1.00 1.11 C ATOM 1111 CG LEU A 71 0.801 10.845 -4.341 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.962 11.298 -3.467 1.00 1.35 C ATOM 1113 CD2 LEU A 71 1.317 10.365 -5.693 1.00 1.28 C ATOM 0 H LEU A 71 -0.639 8.721 -5.795 1.00 1.01 H new ATOM 0 HA LEU A 71 -1.963 8.883 -3.395 1.00 0.99 H new ATOM 0 HB2 LEU A 71 0.013 9.945 -2.561 1.00 1.11 H new ATOM 0 HB3 LEU A 71 0.510 8.794 -3.785 1.00 1.11 H new ATOM 0 HG LEU A 71 0.135 11.690 -4.513 1.00 1.24 H new ATOM 0 HD11 LEU A 71 2.522 12.078 -3.982 1.00 1.35 H new ATOM 0 HD12 LEU A 71 1.577 11.689 -2.525 1.00 1.35 H new ATOM 0 HD13 LEU A 71 2.619 10.451 -3.267 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.882 11.165 -6.172 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.964 9.500 -5.549 1.00 1.28 H new ATOM 0 HD23 LEU A 71 0.474 10.086 -6.326 1.00 1.28 H new ATOM 1125 N LYS A 72 -3.319 10.897 -3.241 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.155 12.073 -3.049 1.00 0.99 C ATOM 1127 C LYS A 72 -5.091 11.847 -1.874 1.00 0.95 C ATOM 1128 O LYS A 72 -5.445 10.708 -1.575 1.00 0.92 O ATOM 1129 CB LYS A 72 -4.982 12.346 -4.308 1.00 1.02 C ATOM 1130 CG LYS A 72 -4.489 13.520 -5.135 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.320 14.767 -4.882 1.00 1.29 C ATOM 1132 CE LYS A 72 -5.068 15.829 -5.935 1.00 1.62 C ATOM 1133 NZ LYS A 72 -5.449 15.366 -7.297 1.00 1.90 N ATOM 0 H LYS A 72 -3.659 10.065 -2.759 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.513 12.931 -2.850 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -4.981 11.451 -4.931 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -6.016 12.530 -4.017 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -3.445 13.722 -4.895 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.529 13.263 -6.194 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.378 14.505 -4.875 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -5.084 15.168 -3.896 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -5.633 16.727 -5.686 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.013 16.104 -5.927 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -5.983 16.116 -7.782 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -4.591 15.145 -7.841 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -6.040 14.514 -7.221 1.00 1.90 H new ATOM 1147 N GLU A 73 -5.468 12.922 -1.197 1.00 1.00 N ATOM 1148 CA GLU A 73 -6.389 12.825 -0.075 1.00 1.01 C ATOM 1149 C GLU A 73 -7.782 12.522 -0.604 1.00 0.98 C ATOM 1150 O GLU A 73 -8.538 11.750 -0.017 1.00 1.01 O ATOM 1151 CB GLU A 73 -6.400 14.121 0.737 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.025 14.750 0.906 1.00 1.33 C ATOM 1153 CD GLU A 73 -4.720 15.777 -0.164 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -4.375 15.381 -1.295 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -4.840 16.987 0.121 1.00 1.98 O ATOM 0 H GLU A 73 -5.151 13.869 -1.405 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.063 12.022 0.586 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.060 14.839 0.250 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -6.820 13.918 1.722 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -4.964 15.223 1.886 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -4.266 13.968 0.881 1.00 1.33 H new ATOM 1162 N MET A 74 -8.108 13.145 -1.725 1.00 1.01 N ATOM 1163 CA MET A 74 -9.385 12.939 -2.374 1.00 1.03 C ATOM 1164 C MET A 74 -9.165 12.857 -3.877 1.00 1.05 C ATOM 1165 O MET A 74 -8.465 13.688 -4.457 1.00 1.16 O ATOM 1166 CB MET A 74 -10.381 14.054 -2.023 1.00 1.15 C ATOM 1167 CG MET A 74 -10.100 15.386 -2.701 1.00 1.26 C ATOM 1168 SD MET A 74 -11.591 16.380 -2.915 1.00 1.65 S ATOM 1169 CE MET A 74 -11.051 17.535 -4.173 1.00 1.77 C ATOM 0 H MET A 74 -7.496 13.804 -2.206 1.00 1.01 H new ATOM 0 HA MET A 74 -9.819 12.005 -2.017 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.384 13.727 -2.295 1.00 1.15 H new ATOM 0 HB3 MET A 74 -10.376 14.202 -0.943 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.376 15.946 -2.109 1.00 1.26 H new ATOM 0 HG3 MET A 74 -9.645 15.206 -3.675 1.00 1.26 H new ATOM 0 HE1 MET A 74 -11.866 18.218 -4.413 1.00 1.77 H new ATOM 0 HE2 MET A 74 -10.198 18.104 -3.803 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.760 16.987 -5.069 1.00 1.77 H new ATOM 1179 N GLU A 75 -9.731 11.841 -4.501 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.573 11.656 -5.929 1.00 1.14 C ATOM 1181 C GLU A 75 -10.896 11.215 -6.555 1.00 1.13 C ATOM 1182 O GLU A 75 -11.965 11.603 -6.083 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.455 10.637 -6.205 1.00 1.16 C ATOM 1184 CG GLU A 75 -7.711 10.867 -7.516 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.635 12.330 -7.907 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -8.574 12.819 -8.570 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -6.634 12.993 -7.567 1.00 1.89 O ATOM 0 H GLU A 75 -10.303 11.133 -4.041 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.288 12.604 -6.386 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.739 10.668 -5.384 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.885 9.636 -6.215 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -6.701 10.467 -7.429 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -8.207 10.310 -8.311 1.00 1.28 H new ATOM 1194 N THR A 76 -10.816 10.402 -7.601 1.00 1.06 N ATOM 1195 CA THR A 76 -11.991 9.922 -8.312 1.00 1.09 C ATOM 1196 C THR A 76 -12.962 9.166 -7.395 1.00 1.04 C ATOM 1197 O THR A 76 -12.562 8.660 -6.344 1.00 0.98 O ATOM 1198 CB THR A 76 -11.572 9.022 -9.492 1.00 1.13 C ATOM 1199 OG1 THR A 76 -10.347 8.344 -9.182 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.387 9.842 -10.761 1.00 1.29 C ATOM 0 H THR A 76 -9.934 10.058 -7.979 1.00 1.06 H new ATOM 0 HA THR A 76 -12.516 10.799 -8.689 1.00 1.09 H new ATOM 0 HB THR A 76 -12.364 8.292 -9.658 1.00 1.13 H new ATOM 0 HG1 THR A 76 -10.089 7.773 -9.936 1.00 1.07 H new ATOM 0 HG21 THR A 76 -11.092 9.185 -11.579 1.00 1.29 H new ATOM 0 HG22 THR A 76 -12.324 10.337 -11.014 1.00 1.29 H new ATOM 0 HG23 THR A 76 -10.612 10.592 -10.600 1.00 1.29 H new ATOM 1208 N PRO A 77 -14.246 9.091 -7.814 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.354 8.437 -7.097 1.00 1.14 C ATOM 1210 C PRO A 77 -14.982 7.248 -6.202 1.00 1.01 C ATOM 1211 O PRO A 77 -14.057 6.479 -6.493 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.230 7.968 -8.248 1.00 1.26 C ATOM 1213 CG PRO A 77 -16.090 9.034 -9.283 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.738 9.679 -9.075 1.00 1.24 C ATOM 0 HA PRO A 77 -15.806 9.127 -6.384 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -15.902 7.001 -8.628 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.268 7.852 -7.935 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.165 8.611 -10.285 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.887 9.771 -9.188 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.063 9.465 -9.904 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.821 10.763 -9.003 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.763 7.093 -5.132 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.576 6.021 -4.155 1.00 0.97 C ATOM 1224 C LEU A 78 -15.750 4.652 -4.805 1.00 0.95 C ATOM 1225 O LEU A 78 -15.030 3.704 -4.495 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.583 6.171 -3.011 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.758 7.593 -2.478 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -18.218 7.864 -2.165 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -15.906 7.808 -1.238 1.00 1.22 C ATOM 0 H LEU A 78 -16.546 7.710 -4.918 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.562 6.096 -3.763 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.552 5.806 -3.352 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.272 5.528 -2.188 1.00 1.07 H new ATOM 0 HG LEU A 78 -16.430 8.291 -3.248 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -18.326 8.880 -1.786 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -18.812 7.749 -3.072 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.566 7.157 -1.412 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.044 8.826 -0.874 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -16.206 7.102 -0.464 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -14.856 7.651 -1.486 1.00 1.22 H new ATOM 1241 N SER A 79 -16.705 4.556 -5.724 1.00 1.07 N ATOM 1242 CA SER A 79 -16.964 3.308 -6.429 1.00 1.12 C ATOM 1243 C SER A 79 -15.784 2.953 -7.336 1.00 1.00 C ATOM 1244 O SER A 79 -15.695 1.846 -7.868 1.00 1.04 O ATOM 1245 CB SER A 79 -18.245 3.432 -7.251 1.00 1.31 C ATOM 1246 OG SER A 79 -19.252 4.122 -6.525 1.00 1.68 O ATOM 0 H SER A 79 -17.312 5.329 -5.997 1.00 1.07 H new ATOM 0 HA SER A 79 -17.089 2.510 -5.697 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.035 3.961 -8.180 1.00 1.31 H new ATOM 0 HB3 SER A 79 -18.604 2.439 -7.523 1.00 1.31 H new ATOM 0 HG SER A 79 -19.448 3.637 -5.696 1.00 1.68 H new ATOM 1252 N ALA A 80 -14.878 3.906 -7.506 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.697 3.707 -8.328 1.00 0.88 C ATOM 1254 C ALA A 80 -12.476 3.482 -7.444 1.00 0.74 C ATOM 1255 O ALA A 80 -11.335 3.616 -7.888 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.482 4.895 -9.249 1.00 1.02 C ATOM 0 H ALA A 80 -14.941 4.831 -7.081 1.00 0.93 H new ATOM 0 HA ALA A 80 -13.846 2.822 -8.947 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.593 4.728 -9.857 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.349 5.013 -9.899 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.350 5.798 -8.653 1.00 1.02 H new ATOM 1262 N LEU A 81 -12.728 3.159 -6.180 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.664 2.891 -5.214 1.00 0.55 C ATOM 1264 C LEU A 81 -11.329 1.405 -5.211 1.00 0.52 C ATOM 1265 O LEU A 81 -10.763 0.885 -4.250 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.100 3.311 -3.801 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.330 4.473 -3.166 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -9.827 4.255 -3.267 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -11.737 5.791 -3.802 1.00 0.75 C ATOM 0 H LEU A 81 -13.669 3.075 -5.796 1.00 0.66 H new ATOM 0 HA LEU A 81 -10.785 3.467 -5.503 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.156 3.580 -3.835 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.013 2.445 -3.145 1.00 0.59 H new ATOM 0 HG LEU A 81 -11.585 4.513 -2.107 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.306 5.095 -2.808 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -9.557 3.334 -2.749 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.540 4.179 -4.316 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.180 6.606 -3.339 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.518 5.763 -4.869 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -12.805 5.952 -3.655 1.00 0.75 H new ATOM 1281 N GLY A 82 -11.671 0.728 -6.296 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.422 -0.691 -6.387 1.00 0.62 C ATOM 1283 C GLY A 82 -12.468 -1.472 -5.627 1.00 0.63 C ATOM 1284 O GLY A 82 -12.181 -2.043 -4.575 1.00 0.64 O ATOM 0 H GLY A 82 -12.117 1.139 -7.116 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.422 -0.998 -7.433 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.433 -0.917 -5.989 1.00 0.62 H new ATOM 1288 N MET A 83 -13.689 -1.468 -6.154 1.00 0.84 N ATOM 1289 CA MET A 83 -14.804 -2.173 -5.531 1.00 1.01 C ATOM 1290 C MET A 83 -14.599 -3.685 -5.607 1.00 0.98 C ATOM 1291 O MET A 83 -15.080 -4.357 -6.520 1.00 1.26 O ATOM 1292 CB MET A 83 -16.136 -1.768 -6.184 1.00 1.34 C ATOM 1293 CG MET A 83 -16.141 -1.842 -7.703 1.00 1.54 C ATOM 1294 SD MET A 83 -17.632 -1.129 -8.424 1.00 2.03 S ATOM 1295 CE MET A 83 -17.405 -1.546 -10.152 1.00 2.27 C ATOM 0 H MET A 83 -13.932 -0.981 -7.017 1.00 0.84 H new ATOM 0 HA MET A 83 -14.842 -1.889 -4.479 1.00 1.01 H new ATOM 0 HB2 MET A 83 -16.926 -2.413 -5.799 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.380 -0.750 -5.881 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.267 -1.319 -8.092 1.00 1.54 H new ATOM 0 HG3 MET A 83 -16.053 -2.883 -8.013 1.00 1.54 H new ATOM 0 HE1 MET A 83 -18.249 -1.171 -10.731 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.484 -1.092 -10.518 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.344 -2.629 -10.260 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.847 -4.196 -4.648 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.539 -5.610 -4.549 1.00 0.89 C ATOM 1307 C GLN A 84 -12.924 -5.881 -3.181 1.00 0.84 C ATOM 1308 O GLN A 84 -13.073 -5.071 -2.269 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.585 -6.037 -5.673 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.312 -5.205 -5.762 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.730 -5.166 -7.164 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.510 -5.172 -7.346 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -11.592 -5.094 -8.168 1.00 1.38 N ATOM 0 H GLN A 84 -13.428 -3.633 -3.908 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.453 -6.194 -4.658 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -12.313 -7.082 -5.526 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -13.113 -5.976 -6.625 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.525 -4.188 -5.434 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.569 -5.612 -5.076 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -12.595 -5.091 -7.980 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -11.253 -5.041 -9.129 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.217 -6.991 -3.040 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.599 -7.345 -1.767 1.00 0.78 C ATOM 1324 C ASN A 85 -10.320 -6.548 -1.515 1.00 0.72 C ATOM 1325 O ASN A 85 -9.219 -7.088 -1.584 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.303 -8.851 -1.681 1.00 0.91 C ATOM 1327 CG ASN A 85 -10.636 -9.428 -2.922 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -11.032 -9.147 -4.050 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -9.617 -10.249 -2.714 1.00 1.09 N ATOM 0 H ASN A 85 -12.055 -7.664 -3.790 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.320 -7.089 -0.991 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -10.662 -9.035 -0.819 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.237 -9.384 -1.503 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -9.133 -10.672 -3.506 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -9.317 -10.458 -1.762 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.474 -5.256 -1.260 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.331 -4.406 -0.965 1.00 0.57 C ATOM 1338 C GLY A 86 -8.613 -3.890 -2.198 1.00 0.51 C ATOM 1339 O GLY A 86 -8.214 -2.722 -2.233 1.00 0.49 O ATOM 0 H GLY A 86 -11.374 -4.776 -1.252 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.667 -3.557 -0.370 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.624 -4.965 -0.352 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.447 -4.764 -3.196 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.759 -4.433 -4.451 1.00 0.62 C ATOM 1345 C CYS A 87 -6.241 -4.450 -4.234 1.00 0.65 C ATOM 1346 O CYS A 87 -5.752 -5.093 -3.305 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.227 -3.076 -5.007 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.886 -2.825 -6.765 1.00 0.79 S ATOM 0 H CYS A 87 -8.787 -5.725 -3.157 1.00 0.59 H new ATOM 0 HA CYS A 87 -8.014 -5.189 -5.194 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.300 -2.981 -4.841 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.745 -2.280 -4.440 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.480 -3.750 -7.459 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.494 -3.765 -5.092 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.038 -3.728 -4.976 1.00 0.77 C ATOM 1356 C ARG A 88 -3.536 -2.291 -5.038 1.00 0.75 C ATOM 1357 O ARG A 88 -4.108 -1.465 -5.748 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.377 -4.542 -6.100 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.875 -5.977 -6.221 1.00 1.03 C ATOM 1360 CD ARG A 88 -5.020 -6.096 -7.219 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.638 -5.627 -8.549 1.00 1.27 N ATOM 1362 CZ ARG A 88 -5.482 -5.077 -9.424 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -6.776 -4.968 -9.136 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -5.032 -4.651 -10.596 1.00 1.74 N ATOM 0 H ARG A 88 -5.870 -3.229 -5.874 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.770 -4.167 -4.015 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.546 -4.031 -7.048 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.300 -4.558 -5.934 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -3.053 -6.622 -6.532 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -4.206 -6.331 -5.244 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -5.341 -7.136 -7.280 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.873 -5.519 -6.862 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.662 -5.727 -8.827 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -7.129 -5.306 -8.241 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -7.415 -4.546 -9.810 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -4.043 -4.744 -10.827 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -5.675 -4.230 -11.267 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.478 -2.000 -4.289 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.885 -0.666 -4.270 1.00 0.79 C ATOM 1380 C VAL A 89 -0.365 -0.763 -4.186 1.00 0.92 C ATOM 1381 O VAL A 89 0.177 -1.611 -3.475 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.398 0.210 -3.099 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.844 0.618 -3.313 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.231 -0.499 -1.763 1.00 0.69 C ATOM 0 H VAL A 89 -2.010 -2.674 -3.683 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.187 -0.185 -5.200 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.790 1.115 -3.077 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.177 1.232 -2.476 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -3.928 1.189 -4.238 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.468 -0.274 -3.380 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.600 0.142 -0.962 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.797 -1.431 -1.772 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.176 -0.717 -1.596 1.00 0.69 H new ATOM 1394 N MET A 90 0.318 0.089 -4.930 1.00 0.97 N ATOM 1395 CA MET A 90 1.771 0.105 -4.925 1.00 1.10 C ATOM 1396 C MET A 90 2.274 1.536 -4.930 1.00 1.14 C ATOM 1397 O MET A 90 1.621 2.432 -5.472 1.00 1.13 O ATOM 1398 CB MET A 90 2.339 -0.663 -6.127 1.00 1.21 C ATOM 1399 CG MET A 90 2.497 0.170 -7.390 1.00 1.49 C ATOM 1400 SD MET A 90 3.326 -0.732 -8.713 1.00 1.66 S ATOM 1401 CE MET A 90 3.402 0.528 -9.982 1.00 2.09 C ATOM 0 H MET A 90 -0.110 0.780 -5.546 1.00 0.97 H new ATOM 0 HA MET A 90 2.114 -0.392 -4.017 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.311 -1.073 -5.854 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.686 -1.508 -6.344 1.00 1.21 H new ATOM 0 HG2 MET A 90 1.514 0.492 -7.734 1.00 1.49 H new ATOM 0 HG3 MET A 90 3.064 1.071 -7.158 1.00 1.49 H new ATOM 0 HE1 MET A 90 4.273 0.355 -10.615 1.00 2.09 H new ATOM 0 HE2 MET A 90 2.498 0.487 -10.590 1.00 2.09 H new ATOM 0 HE3 MET A 90 3.482 1.510 -9.515 1.00 2.09 H new ATOM 1411 N LEU A 91 3.420 1.753 -4.314 1.00 1.21 N ATOM 1412 CA LEU A 91 4.005 3.078 -4.256 1.00 1.27 C ATOM 1413 C LEU A 91 5.437 3.058 -4.771 1.00 1.41 C ATOM 1414 O LEU A 91 6.237 2.190 -4.412 1.00 1.47 O ATOM 1415 CB LEU A 91 3.904 3.695 -2.833 1.00 1.22 C ATOM 1416 CG LEU A 91 4.722 3.067 -1.672 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.641 1.550 -1.655 1.00 1.25 C ATOM 1418 CD2 LEU A 91 6.173 3.535 -1.696 1.00 1.42 C ATOM 0 H LEU A 91 3.964 1.028 -3.846 1.00 1.21 H new ATOM 0 HA LEU A 91 3.427 3.727 -4.914 1.00 1.27 H new ATOM 0 HB2 LEU A 91 4.195 4.743 -2.909 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.854 3.676 -2.542 1.00 1.22 H new ATOM 0 HG LEU A 91 4.265 3.420 -0.747 1.00 1.27 H new ATOM 0 HD11 LEU A 91 5.231 1.163 -0.824 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.602 1.242 -1.537 1.00 1.25 H new ATOM 0 HD13 LEU A 91 5.032 1.154 -2.592 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.717 3.077 -0.870 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.634 3.244 -2.640 1.00 1.42 H new ATOM 0 HD23 LEU A 91 6.207 4.620 -1.595 1.00 1.42 H new ATOM 1430 N ILE A 92 5.741 3.997 -5.648 1.00 1.50 N ATOM 1431 CA ILE A 92 7.071 4.107 -6.213 1.00 1.65 C ATOM 1432 C ILE A 92 7.814 5.246 -5.532 1.00 1.71 C ATOM 1433 O ILE A 92 7.835 6.375 -6.018 1.00 1.89 O ATOM 1434 CB ILE A 92 7.038 4.347 -7.736 1.00 1.74 C ATOM 1435 CG1 ILE A 92 6.024 3.411 -8.402 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.428 4.140 -8.330 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.919 3.594 -9.900 1.00 1.79 C ATOM 0 H ILE A 92 5.080 4.697 -5.985 1.00 1.50 H new ATOM 0 HA ILE A 92 7.585 3.161 -6.042 1.00 1.65 H new ATOM 0 HB ILE A 92 6.729 5.376 -7.923 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.302 2.379 -8.190 1.00 1.66 H new ATOM 0 HG13 ILE A 92 5.043 3.575 -7.955 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.393 4.312 -9.406 1.00 1.96 H new ATOM 0 HG22 ILE A 92 9.127 4.840 -7.873 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.758 3.119 -8.136 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.182 2.898 -10.301 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.610 4.616 -10.121 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.889 3.401 -10.359 1.00 1.79 H new ATOM 1449 N GLY A 93 8.385 4.946 -4.377 1.00 1.73 N ATOM 1450 CA GLY A 93 9.113 5.944 -3.626 1.00 1.80 C ATOM 1451 C GLY A 93 9.802 5.343 -2.424 1.00 1.84 C ATOM 1452 O GLY A 93 10.567 4.387 -2.557 1.00 1.89 O ATOM 0 H GLY A 93 8.357 4.023 -3.944 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.853 6.417 -4.271 1.00 1.80 H new ATOM 0 HA3 GLY A 93 8.428 6.726 -3.300 1.00 1.80 H new ATOM 1456 N GLU A 94 9.516 5.880 -1.250 1.00 1.88 N ATOM 1457 CA GLU A 94 10.116 5.391 -0.020 1.00 1.97 C ATOM 1458 C GLU A 94 9.026 4.903 0.926 1.00 1.80 C ATOM 1459 O GLU A 94 7.893 5.382 0.876 1.00 1.84 O ATOM 1460 CB GLU A 94 10.946 6.502 0.634 1.00 2.22 C ATOM 1461 CG GLU A 94 11.689 6.073 1.893 1.00 2.66 C ATOM 1462 CD GLU A 94 12.455 4.776 1.714 1.00 2.63 C ATOM 1463 OE1 GLU A 94 13.359 4.726 0.860 1.00 3.03 O ATOM 1464 OE2 GLU A 94 12.152 3.805 2.440 1.00 2.85 O ATOM 0 H GLU A 94 8.869 6.658 -1.123 1.00 1.88 H new ATOM 0 HA GLU A 94 10.778 4.555 -0.247 1.00 1.97 H new ATOM 0 HB2 GLU A 94 11.670 6.874 -0.092 1.00 2.22 H new ATOM 0 HB3 GLU A 94 10.287 7.334 0.881 1.00 2.22 H new ATOM 0 HG2 GLU A 94 12.383 6.861 2.186 1.00 2.66 H new ATOM 0 HG3 GLU A 94 10.975 5.958 2.709 1.00 2.66 H new ATOM 1471 N LYS A 95 9.361 3.933 1.763 1.00 1.82 N ATOM 1472 CA LYS A 95 8.411 3.389 2.717 1.00 1.72 C ATOM 1473 C LYS A 95 9.019 3.425 4.116 1.00 1.77 C ATOM 1474 O LYS A 95 9.511 2.415 4.626 1.00 1.96 O ATOM 1475 CB LYS A 95 8.013 1.964 2.321 1.00 1.81 C ATOM 1476 CG LYS A 95 6.646 1.540 2.838 1.00 1.79 C ATOM 1477 CD LYS A 95 6.107 0.347 2.069 1.00 2.06 C ATOM 1478 CE LYS A 95 4.851 -0.223 2.712 1.00 2.15 C ATOM 1479 NZ LYS A 95 5.129 -0.814 4.048 1.00 2.38 N ATOM 0 H LYS A 95 10.287 3.506 1.800 1.00 1.82 H new ATOM 0 HA LYS A 95 7.506 3.996 2.715 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.020 1.884 1.234 1.00 1.81 H new ATOM 0 HB3 LYS A 95 8.764 1.270 2.697 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.717 1.290 3.897 1.00 1.79 H new ATOM 0 HG3 LYS A 95 5.949 2.374 2.754 1.00 1.79 H new ATOM 0 HD2 LYS A 95 5.887 0.645 1.044 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.872 -0.428 2.018 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.105 0.565 2.812 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.424 -0.985 2.060 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 4.442 -1.570 4.243 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 6.091 -1.209 4.060 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 5.049 -0.077 4.777 1.00 2.38 H new ATOM 1493 N SER A 96 9.008 4.616 4.704 1.00 1.80 N ATOM 1494 CA SER A 96 9.552 4.838 6.034 1.00 1.92 C ATOM 1495 C SER A 96 8.913 3.911 7.067 1.00 1.83 C ATOM 1496 O SER A 96 7.697 3.696 7.063 1.00 1.95 O ATOM 1497 CB SER A 96 9.337 6.292 6.446 1.00 2.15 C ATOM 1498 OG SER A 96 9.841 7.185 5.464 1.00 2.38 O ATOM 0 H SER A 96 8.621 5.454 4.270 1.00 1.80 H new ATOM 0 HA SER A 96 10.619 4.617 5.998 1.00 1.92 H new ATOM 0 HB2 SER A 96 8.273 6.476 6.597 1.00 2.15 H new ATOM 0 HB3 SER A 96 9.831 6.479 7.399 1.00 2.15 H new ATOM 0 HG SER A 96 9.688 8.109 5.753 1.00 2.38 H new ATOM 1504 N ASN A 97 9.746 3.361 7.938 1.00 1.89 N ATOM 1505 CA ASN A 97 9.291 2.461 8.984 1.00 1.93 C ATOM 1506 C ASN A 97 10.069 2.727 10.267 1.00 2.29 C ATOM 1507 O ASN A 97 11.109 2.076 10.479 1.00 2.53 O ATOM 1508 CB ASN A 97 9.472 1.003 8.555 1.00 1.89 C ATOM 1509 CG ASN A 97 8.903 0.019 9.562 1.00 2.00 C ATOM 1510 OD1 ASN A 97 7.773 0.363 10.162 1.00 2.24 O flip ATOM 1511 ND2 ASN A 97 9.470 -1.049 9.787 1.00 1.96 N flip ATOM 1512 OXT ASN A 97 9.648 3.605 11.046 1.00 2.61 O ATOM 0 H ASN A 97 10.753 3.526 7.939 1.00 1.89 H new ATOM 0 HA ASN A 97 8.231 2.640 9.162 1.00 1.93 H new ATOM 0 HB2 ASN A 97 8.988 0.850 7.591 1.00 1.89 H new ATOM 0 HB3 ASN A 97 10.534 0.799 8.415 1.00 1.89 H new ATOM 0 HD21 ASN A 97 10.339 -1.277 9.304 1.00 1.96 H new ATOM 0 HD22 ASN A 97 9.071 -1.707 10.457 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 23.582 5.700 6.905 1.00 5.24 N ATOM 1521 CA ARG B 185 22.232 6.133 6.485 1.00 5.09 C ATOM 1522 C ARG B 185 21.159 5.377 7.256 1.00 5.04 C ATOM 1523 O ARG B 185 21.389 4.260 7.721 1.00 4.90 O ATOM 1524 CB ARG B 185 22.038 5.908 4.984 1.00 4.43 C ATOM 1525 CG ARG B 185 22.261 4.471 4.543 1.00 4.00 C ATOM 1526 CD ARG B 185 21.234 4.034 3.510 1.00 3.44 C ATOM 1527 NE ARG B 185 21.316 4.813 2.276 1.00 3.76 N ATOM 1528 CZ ARG B 185 20.815 4.408 1.111 1.00 3.61 C ATOM 1529 NH1 ARG B 185 20.209 3.228 1.026 1.00 3.10 N ATOM 1530 NH2 ARG B 185 20.919 5.177 0.037 1.00 4.24 N ATOM 0 HA ARG B 185 22.140 7.197 6.701 1.00 5.09 H new ATOM 0 HB2 ARG B 185 21.027 6.209 4.709 1.00 4.43 H new ATOM 0 HB3 ARG B 185 22.724 6.556 4.438 1.00 4.43 H new ATOM 0 HG2 ARG B 185 23.263 4.370 4.126 1.00 4.00 H new ATOM 0 HG3 ARG B 185 22.209 3.812 5.410 1.00 4.00 H new ATOM 0 HD2 ARG B 185 21.381 2.979 3.280 1.00 3.44 H new ATOM 0 HD3 ARG B 185 20.234 4.132 3.932 1.00 3.44 H new ATOM 0 HE ARG B 185 21.784 5.719 2.309 1.00 3.76 H new ATOM 0 HH11 ARG B 185 20.129 2.635 1.852 1.00 3.10 H new ATOM 0 HH12 ARG B 185 19.824 2.915 0.135 1.00 3.10 H new ATOM 0 HH21 ARG B 185 21.384 6.083 0.101 1.00 4.24 H new ATOM 0 HH22 ARG B 185 20.534 4.863 -0.854 1.00 4.24 H new ATOM 1546 N TYR B 186 19.988 5.990 7.384 1.00 5.30 N ATOM 1547 CA TYR B 186 18.873 5.367 8.095 1.00 5.40 C ATOM 1548 C TYR B 186 17.782 4.936 7.115 1.00 4.76 C ATOM 1549 O TYR B 186 16.688 4.542 7.514 1.00 4.97 O ATOM 1550 CB TYR B 186 18.292 6.328 9.143 1.00 6.21 C ATOM 1551 CG TYR B 186 17.915 7.687 8.595 1.00 6.50 C ATOM 1552 CD1 TYR B 186 16.672 7.904 8.008 1.00 6.39 C ATOM 1553 CD2 TYR B 186 18.801 8.753 8.669 1.00 7.04 C ATOM 1554 CE1 TYR B 186 16.328 9.144 7.510 1.00 6.82 C ATOM 1555 CE2 TYR B 186 18.464 9.997 8.173 1.00 7.46 C ATOM 1556 CZ TYR B 186 17.226 10.186 7.596 1.00 7.36 C ATOM 1557 OH TYR B 186 16.886 11.420 7.099 1.00 7.91 O ATOM 0 H TYR B 186 19.784 6.915 7.007 1.00 5.30 H new ATOM 0 HA TYR B 186 19.251 4.482 8.607 1.00 5.40 H new ATOM 0 HB2 TYR B 186 17.409 5.871 9.589 1.00 6.21 H new ATOM 0 HB3 TYR B 186 19.021 6.460 9.942 1.00 6.21 H new ATOM 0 HD1 TYR B 186 15.966 7.090 7.941 1.00 6.39 H new ATOM 0 HD2 TYR B 186 19.770 8.607 9.122 1.00 7.04 H new ATOM 0 HE1 TYR B 186 15.360 9.297 7.055 1.00 6.82 H new ATOM 0 HE2 TYR B 186 19.165 10.816 8.237 1.00 7.46 H new ATOM 0 HH TYR B 186 17.628 12.045 7.239 1.00 7.91 H new ATOM 1567 N HIS B 187 18.084 5.018 5.825 1.00 4.11 N ATOM 1568 CA HIS B 187 17.127 4.633 4.795 1.00 3.50 C ATOM 1569 C HIS B 187 17.189 3.135 4.529 1.00 2.93 C ATOM 1570 O HIS B 187 17.877 2.680 3.612 1.00 2.65 O ATOM 1571 CB HIS B 187 17.372 5.410 3.502 1.00 3.36 C ATOM 1572 CG HIS B 187 16.476 6.598 3.344 1.00 3.78 C ATOM 1573 ND1 HIS B 187 16.930 7.894 3.430 1.00 4.02 N ATOM 1574 CD2 HIS B 187 15.145 6.682 3.111 1.00 4.34 C ATOM 1575 CE1 HIS B 187 15.919 8.723 3.253 1.00 4.46 C ATOM 1576 NE2 HIS B 187 14.825 8.015 3.058 1.00 4.67 N ATOM 0 H HIS B 187 18.981 5.347 5.468 1.00 4.11 H new ATOM 0 HA HIS B 187 16.130 4.879 5.160 1.00 3.50 H new ATOM 0 HB2 HIS B 187 18.410 5.741 3.477 1.00 3.36 H new ATOM 0 HB3 HIS B 187 17.230 4.742 2.653 1.00 3.36 H new ATOM 0 HD2 HIS B 187 14.462 5.854 2.989 1.00 4.34 H new ATOM 0 HE1 HIS B 187 15.978 9.801 3.266 1.00 4.46 H new ATOM 0 HE2 HIS B 187 13.893 8.396 2.894 1.00 4.67 H new ATOM 1585 N ARG B 188 16.484 2.380 5.354 1.00 2.96 N ATOM 1586 CA ARG B 188 16.435 0.935 5.221 1.00 2.79 C ATOM 1587 C ARG B 188 15.574 0.552 4.024 1.00 2.14 C ATOM 1588 O ARG B 188 14.589 1.234 3.724 1.00 1.99 O ATOM 1589 CB ARG B 188 15.900 0.288 6.512 1.00 3.34 C ATOM 1590 CG ARG B 188 14.385 0.379 6.701 1.00 3.55 C ATOM 1591 CD ARG B 188 13.930 1.776 7.109 1.00 3.79 C ATOM 1592 NE ARG B 188 13.463 2.560 5.964 1.00 3.55 N ATOM 1593 CZ ARG B 188 13.158 3.855 6.021 1.00 3.89 C ATOM 1594 NH1 ARG B 188 13.293 4.527 7.161 1.00 4.48 N ATOM 1595 NH2 ARG B 188 12.716 4.484 4.941 1.00 4.04 N ATOM 0 H ARG B 188 15.933 2.748 6.129 1.00 2.96 H new ATOM 0 HA ARG B 188 17.446 0.563 5.055 1.00 2.79 H new ATOM 0 HB2 ARG B 188 16.190 -0.763 6.521 1.00 3.34 H new ATOM 0 HB3 ARG B 188 16.386 0.760 7.366 1.00 3.34 H new ATOM 0 HG2 ARG B 188 13.889 0.095 5.773 1.00 3.55 H new ATOM 0 HG3 ARG B 188 14.073 -0.337 7.461 1.00 3.55 H new ATOM 0 HD2 ARG B 188 13.129 1.696 7.844 1.00 3.79 H new ATOM 0 HD3 ARG B 188 14.755 2.298 7.593 1.00 3.79 H new ATOM 0 HE ARG B 188 13.365 2.085 5.067 1.00 3.55 H new ATOM 0 HH11 ARG B 188 13.632 4.050 7.997 1.00 4.48 H new ATOM 0 HH12 ARG B 188 13.058 5.519 7.199 1.00 4.48 H new ATOM 0 HH21 ARG B 188 12.609 3.976 4.063 1.00 4.04 H new ATOM 0 HH22 ARG B 188 12.483 5.476 4.988 1.00 4.04 H new ATOM 1609 N ARG B 189 15.959 -0.528 3.344 1.00 2.02 N ATOM 1610 CA ARG B 189 15.234 -1.018 2.170 1.00 1.77 C ATOM 1611 C ARG B 189 15.266 0.017 1.045 1.00 1.33 C ATOM 1612 O ARG B 189 14.302 0.166 0.294 1.00 1.67 O ATOM 1613 CB ARG B 189 13.783 -1.359 2.531 1.00 2.37 C ATOM 1614 CG ARG B 189 13.649 -2.208 3.786 1.00 3.12 C ATOM 1615 CD ARG B 189 12.220 -2.222 4.307 1.00 3.82 C ATOM 1616 NE ARG B 189 11.585 -3.521 4.115 1.00 4.33 N ATOM 1617 CZ ARG B 189 10.361 -3.828 4.539 1.00 4.83 C ATOM 1618 NH1 ARG B 189 9.639 -2.936 5.206 1.00 4.91 N ATOM 1619 NH2 ARG B 189 9.858 -5.030 4.290 1.00 5.48 N ATOM 0 H ARG B 189 16.777 -1.086 3.589 1.00 2.02 H new ATOM 0 HA ARG B 189 15.728 -1.925 1.823 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.225 -0.433 2.668 1.00 2.37 H new ATOM 0 HB3 ARG B 189 13.324 -1.887 1.695 1.00 2.37 H new ATOM 0 HG2 ARG B 189 13.968 -3.228 3.571 1.00 3.12 H new ATOM 0 HG3 ARG B 189 14.314 -1.822 4.559 1.00 3.12 H new ATOM 0 HD2 ARG B 189 12.217 -1.970 5.367 1.00 3.82 H new ATOM 0 HD3 ARG B 189 11.639 -1.455 3.795 1.00 3.82 H new ATOM 0 HE ARG B 189 12.114 -4.242 3.623 1.00 4.33 H new ATOM 0 HH11 ARG B 189 10.021 -2.010 5.396 1.00 4.91 H new ATOM 0 HH12 ARG B 189 8.702 -3.177 5.528 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.409 -5.717 3.775 1.00 5.48 H new ATOM 0 HH22 ARG B 189 8.920 -5.268 4.614 1.00 5.48 H new ATOM 1633 N GLY B 190 16.385 0.727 0.939 1.00 1.17 N ATOM 1634 CA GLY B 190 16.534 1.743 -0.088 1.00 1.54 C ATOM 1635 C GLY B 190 17.705 1.461 -1.005 1.00 1.70 C ATOM 1636 O GLY B 190 18.678 2.221 -1.038 1.00 1.97 O ATOM 0 H GLY B 190 17.195 0.616 1.549 1.00 1.17 H new ATOM 0 HA2 GLY B 190 15.619 1.799 -0.677 1.00 1.54 H new ATOM 0 HA3 GLY B 190 16.670 2.716 0.383 1.00 1.54 H new ATOM 1640 N GLY B 191 17.617 0.367 -1.746 1.00 1.91 N ATOM 1641 CA GLY B 191 18.683 -0.009 -2.653 1.00 2.36 C ATOM 1642 C GLY B 191 19.499 -1.156 -2.094 1.00 2.17 C ATOM 1643 O GLY B 191 20.158 -1.888 -2.834 1.00 2.71 O ATOM 0 H GLY B 191 16.821 -0.271 -1.735 1.00 1.91 H new ATOM 0 HA2 GLY B 191 18.260 -0.295 -3.616 1.00 2.36 H new ATOM 0 HA3 GLY B 191 19.331 0.849 -2.832 1.00 2.36 H new ATOM 1647 N TYR B 192 19.433 -1.310 -0.781 1.00 1.71 N ATOM 1648 CA TYR B 192 20.145 -2.358 -0.075 1.00 1.86 C ATOM 1649 C TYR B 192 19.453 -2.604 1.260 1.00 1.87 C ATOM 1650 O TYR B 192 18.523 -1.875 1.612 1.00 2.21 O ATOM 1651 CB TYR B 192 21.612 -1.963 0.134 1.00 1.91 C ATOM 1652 CG TYR B 192 22.538 -3.131 0.397 1.00 2.45 C ATOM 1653 CD1 TYR B 192 22.940 -3.971 -0.635 1.00 2.95 C ATOM 1654 CD2 TYR B 192 23.023 -3.385 1.676 1.00 2.80 C ATOM 1655 CE1 TYR B 192 23.797 -5.028 -0.401 1.00 3.62 C ATOM 1656 CE2 TYR B 192 23.875 -4.444 1.917 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.262 -5.259 0.877 1.00 3.77 C ATOM 1658 OH TYR B 192 25.123 -6.300 1.113 1.00 4.48 O ATOM 0 H TYR B 192 18.880 -0.706 -0.173 1.00 1.71 H new ATOM 0 HA TYR B 192 20.132 -3.275 -0.664 1.00 1.86 H new ATOM 0 HB2 TYR B 192 21.962 -1.428 -0.749 1.00 1.91 H new ATOM 0 HB3 TYR B 192 21.674 -1.269 0.972 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.576 -3.794 -1.636 1.00 2.95 H new ATOM 0 HD2 TYR B 192 22.728 -2.743 2.493 1.00 2.80 H new ATOM 0 HE1 TYR B 192 24.102 -5.670 -1.214 1.00 3.62 H new ATOM 0 HE2 TYR B 192 24.236 -4.632 2.917 1.00 3.41 H new ATOM 0 HH TYR B 192 26.046 -5.995 0.991 1.00 4.48 H new ATOM 1668 N ASP B 193 19.903 -3.630 1.979 1.00 2.08 N ATOM 1669 CA ASP B 193 19.335 -4.005 3.277 1.00 2.57 C ATOM 1670 C ASP B 193 19.077 -2.782 4.158 1.00 2.39 C ATOM 1671 O ASP B 193 17.926 -2.464 4.471 1.00 2.59 O ATOM 1672 CB ASP B 193 20.277 -4.980 3.987 1.00 3.18 C ATOM 1673 CG ASP B 193 19.720 -5.478 5.305 1.00 3.84 C ATOM 1674 OD1 ASP B 193 18.772 -6.294 5.290 1.00 4.22 O ATOM 1675 OD2 ASP B 193 20.244 -5.081 6.363 1.00 4.14 O ATOM 0 H ASP B 193 20.673 -4.228 1.679 1.00 2.08 H new ATOM 0 HA ASP B 193 18.374 -4.487 3.099 1.00 2.57 H new ATOM 0 HB2 ASP B 193 20.471 -5.831 3.335 1.00 3.18 H new ATOM 0 HB3 ASP B 193 21.234 -4.490 4.164 1.00 3.18 H new ATOM 1680 N VAL B 194 20.141 -2.088 4.536 1.00 2.39 N ATOM 1681 CA VAL B 194 20.006 -0.902 5.370 1.00 2.62 C ATOM 1682 C VAL B 194 21.010 0.185 4.963 1.00 2.80 C ATOM 1683 O VAL B 194 20.691 1.375 4.987 1.00 3.15 O ATOM 1684 CB VAL B 194 20.149 -1.239 6.878 1.00 3.43 C ATOM 1685 CG1 VAL B 194 21.516 -1.828 7.187 1.00 3.97 C ATOM 1686 CG2 VAL B 194 19.877 -0.009 7.735 1.00 3.78 C ATOM 0 H VAL B 194 21.100 -2.323 4.281 1.00 2.39 H new ATOM 0 HA VAL B 194 19.000 -0.514 5.210 1.00 2.62 H new ATOM 0 HB VAL B 194 19.403 -1.995 7.123 1.00 3.43 H new ATOM 0 HG11 VAL B 194 21.583 -2.053 8.251 1.00 3.97 H new ATOM 0 HG12 VAL B 194 21.656 -2.744 6.613 1.00 3.97 H new ATOM 0 HG13 VAL B 194 22.291 -1.110 6.918 1.00 3.97 H new ATOM 0 HG21 VAL B 194 19.983 -0.269 8.788 1.00 3.78 H new ATOM 0 HG22 VAL B 194 20.590 0.776 7.481 1.00 3.78 H new ATOM 0 HG23 VAL B 194 18.864 0.347 7.549 1.00 3.78 H new ATOM 1696 N GLU B 195 22.212 -0.221 4.570 1.00 2.75 N ATOM 1697 CA GLU B 195 23.236 0.731 4.159 1.00 3.12 C ATOM 1698 C GLU B 195 23.220 0.939 2.653 1.00 2.88 C ATOM 1699 O GLU B 195 22.359 0.408 1.952 1.00 2.39 O ATOM 1700 CB GLU B 195 24.618 0.253 4.599 1.00 3.40 C ATOM 1701 CG GLU B 195 25.200 1.065 5.741 1.00 4.16 C ATOM 1702 CD GLU B 195 25.050 2.555 5.522 1.00 4.65 C ATOM 1703 OE1 GLU B 195 25.340 3.029 4.404 1.00 4.87 O ATOM 1704 OE2 GLU B 195 24.624 3.260 6.465 1.00 5.02 O ATOM 0 H GLU B 195 22.500 -1.199 4.527 1.00 2.75 H new ATOM 0 HA GLU B 195 23.016 1.683 4.642 1.00 3.12 H new ATOM 0 HB2 GLU B 195 24.554 -0.792 4.902 1.00 3.40 H new ATOM 0 HB3 GLU B 195 25.298 0.297 3.748 1.00 3.40 H new ATOM 0 HG2 GLU B 195 24.706 0.785 6.671 1.00 4.16 H new ATOM 0 HG3 GLU B 195 26.256 0.821 5.855 1.00 4.16 H new ATOM 1711 N ASN B 196 24.171 1.723 2.163 1.00 3.43 N ATOM 1712 CA ASN B 196 24.269 2.005 0.737 1.00 3.64 C ATOM 1713 C ASN B 196 25.026 0.889 0.023 1.00 3.41 C ATOM 1714 O ASN B 196 24.719 0.568 -1.127 1.00 3.56 O ATOM 1715 CB ASN B 196 24.969 3.353 0.500 1.00 4.47 C ATOM 1716 CG ASN B 196 24.664 3.961 -0.866 1.00 4.94 C ATOM 1717 OD1 ASN B 196 24.935 3.225 -1.935 1.00 5.26 O flip ATOM 1718 ND2 ASN B 196 24.195 5.098 -0.960 1.00 5.14 N flip ATOM 0 H ASN B 196 24.886 2.175 2.732 1.00 3.43 H new ATOM 0 HA ASN B 196 23.259 2.060 0.330 1.00 3.64 H new ATOM 0 HB2 ASN B 196 24.665 4.054 1.278 1.00 4.47 H new ATOM 0 HB3 ASN B 196 26.046 3.217 0.597 1.00 4.47 H new ATOM 0 HD21 ASN B 196 23.997 5.639 -0.118 1.00 5.14 H new ATOM 0 HD22 ASN B 196 24.005 5.497 -1.879 1.00 5.14 H new ATOM 1725 N GLU B 197 26.009 0.307 0.719 1.00 3.29 N ATOM 1726 CA GLU B 197 26.838 -0.777 0.176 1.00 3.26 C ATOM 1727 C GLU B 197 27.802 -0.242 -0.892 1.00 3.82 C ATOM 1728 O GLU B 197 27.511 0.736 -1.581 1.00 4.30 O ATOM 1729 CB GLU B 197 25.953 -1.912 -0.378 1.00 2.93 C ATOM 1730 CG GLU B 197 26.704 -3.008 -1.126 1.00 3.10 C ATOM 1731 CD GLU B 197 27.701 -3.755 -0.264 1.00 3.38 C ATOM 1732 OE1 GLU B 197 27.278 -4.579 0.566 1.00 3.83 O ATOM 1733 OE2 GLU B 197 28.916 -3.523 -0.431 1.00 3.60 O ATOM 0 H GLU B 197 26.253 0.573 1.673 1.00 3.29 H new ATOM 0 HA GLU B 197 27.440 -1.191 0.985 1.00 3.26 H new ATOM 0 HB2 GLU B 197 25.409 -2.366 0.451 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.210 -1.479 -1.048 1.00 2.93 H new ATOM 0 HG2 GLU B 197 25.984 -3.718 -1.533 1.00 3.10 H new ATOM 0 HG3 GLU B 197 27.228 -2.565 -1.973 1.00 3.10 H new ATOM 1740 N GLU B 198 28.959 -0.877 -1.009 1.00 3.91 N ATOM 1741 CA GLU B 198 29.968 -0.474 -1.977 1.00 4.52 C ATOM 1742 C GLU B 198 29.775 -1.207 -3.302 1.00 4.64 C ATOM 1743 O GLU B 198 30.116 -0.689 -4.367 1.00 5.16 O ATOM 1744 CB GLU B 198 31.364 -0.752 -1.422 1.00 4.90 C ATOM 1745 CG GLU B 198 31.839 0.286 -0.419 1.00 5.36 C ATOM 1746 CD GLU B 198 32.415 1.515 -1.091 1.00 5.99 C ATOM 1747 OE1 GLU B 198 31.637 2.410 -1.476 1.00 6.45 O ATOM 1748 OE2 GLU B 198 33.653 1.594 -1.234 1.00 6.25 O ATOM 0 H GLU B 198 29.224 -1.681 -0.440 1.00 3.91 H new ATOM 0 HA GLU B 198 29.861 0.595 -2.160 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.368 -1.733 -0.946 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.072 -0.796 -2.249 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.005 0.580 0.218 1.00 5.36 H new ATOM 0 HG3 GLU B 198 32.594 -0.158 0.230 1.00 5.36 H new ATOM 1755 N LYS B 199 29.237 -2.418 -3.224 1.00 4.32 N ATOM 1756 CA LYS B 199 28.997 -3.227 -4.418 1.00 4.64 C ATOM 1757 C LYS B 199 27.821 -2.681 -5.225 1.00 4.89 C ATOM 1758 O LYS B 199 27.959 -2.395 -6.415 1.00 5.53 O ATOM 1759 CB LYS B 199 28.719 -4.685 -4.043 1.00 4.38 C ATOM 1760 CG LYS B 199 29.800 -5.320 -3.184 1.00 4.54 C ATOM 1761 CD LYS B 199 29.517 -6.794 -2.951 1.00 4.53 C ATOM 1762 CE LYS B 199 30.102 -7.277 -1.632 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.589 -7.265 -1.633 1.00 4.56 N ATOM 0 H LYS B 199 28.958 -2.863 -2.350 1.00 4.32 H new ATOM 0 HA LYS B 199 29.899 -3.179 -5.029 1.00 4.64 H new ATOM 0 HB2 LYS B 199 27.769 -4.738 -3.511 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.606 -5.269 -4.956 1.00 4.38 H new ATOM 0 HG2 LYS B 199 30.769 -5.205 -3.669 1.00 4.54 H new ATOM 0 HG3 LYS B 199 29.859 -4.802 -2.227 1.00 4.54 H new ATOM 0 HD2 LYS B 199 28.440 -6.963 -2.955 1.00 4.53 H new ATOM 0 HD3 LYS B 199 29.935 -7.379 -3.770 1.00 4.53 H new ATOM 0 HE2 LYS B 199 29.737 -6.645 -0.823 1.00 4.41 H new ATOM 0 HE3 LYS B 199 29.750 -8.289 -1.430 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 31.940 -7.602 -0.714 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 31.941 -7.889 -2.387 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 31.928 -6.296 -1.799 1.00 4.56 H new ATOM 1777 N VAL B 200 26.673 -2.541 -4.560 1.00 4.46 N ATOM 1778 CA VAL B 200 25.447 -2.040 -5.192 1.00 4.74 C ATOM 1779 C VAL B 200 25.112 -2.838 -6.455 1.00 5.32 C ATOM 1780 O VAL B 200 25.179 -2.323 -7.571 1.00 5.99 O ATOM 1781 CB VAL B 200 25.550 -0.534 -5.545 1.00 5.22 C ATOM 1782 CG1 VAL B 200 24.177 0.038 -5.872 1.00 5.43 C ATOM 1783 CG2 VAL B 200 26.188 0.249 -4.409 1.00 4.96 C ATOM 0 H VAL B 200 26.565 -2.770 -3.572 1.00 4.46 H new ATOM 0 HA VAL B 200 24.647 -2.168 -4.463 1.00 4.74 H new ATOM 0 HB VAL B 200 26.185 -0.440 -6.426 1.00 5.22 H new ATOM 0 HG11 VAL B 200 24.272 1.096 -6.117 1.00 5.43 H new ATOM 0 HG12 VAL B 200 23.754 -0.495 -6.724 1.00 5.43 H new ATOM 0 HG13 VAL B 200 23.520 -0.077 -5.010 1.00 5.43 H new ATOM 0 HG21 VAL B 200 26.248 1.302 -4.682 1.00 4.96 H new ATOM 0 HG22 VAL B 200 25.583 0.142 -3.509 1.00 4.96 H new ATOM 0 HG23 VAL B 200 27.191 -0.135 -4.221 1.00 4.96 H new ATOM 1793 N LYS B 201 24.772 -4.109 -6.277 1.00 5.18 N ATOM 1794 CA LYS B 201 24.436 -4.968 -7.407 1.00 5.84 C ATOM 1795 C LYS B 201 23.445 -6.057 -7.001 1.00 5.78 C ATOM 1796 O LYS B 201 23.268 -7.045 -7.713 1.00 6.37 O ATOM 1797 CB LYS B 201 25.707 -5.603 -7.981 1.00 6.17 C ATOM 1798 CG LYS B 201 26.453 -6.492 -6.995 1.00 5.81 C ATOM 1799 CD LYS B 201 27.868 -6.798 -7.471 1.00 6.12 C ATOM 1800 CE LYS B 201 27.873 -7.557 -8.791 1.00 6.82 C ATOM 1801 NZ LYS B 201 27.192 -8.876 -8.690 1.00 7.02 N ATOM 0 H LYS B 201 24.722 -4.566 -5.367 1.00 5.18 H new ATOM 0 HA LYS B 201 23.964 -4.350 -8.171 1.00 5.84 H new ATOM 0 HB2 LYS B 201 25.442 -6.193 -8.858 1.00 6.17 H new ATOM 0 HB3 LYS B 201 26.376 -4.812 -8.319 1.00 6.17 H new ATOM 0 HG2 LYS B 201 26.494 -6.002 -6.022 1.00 5.81 H new ATOM 0 HG3 LYS B 201 25.905 -7.424 -6.859 1.00 5.81 H new ATOM 0 HD2 LYS B 201 28.421 -5.866 -7.586 1.00 6.12 H new ATOM 0 HD3 LYS B 201 28.387 -7.385 -6.713 1.00 6.12 H new ATOM 0 HE2 LYS B 201 27.381 -6.955 -9.555 1.00 6.82 H new ATOM 0 HE3 LYS B 201 28.902 -7.707 -9.117 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 27.367 -9.424 -9.556 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 27.564 -9.397 -7.870 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 26.169 -8.730 -8.573 1.00 7.02 H new ATOM 1815 N LEU B 202 22.792 -5.867 -5.863 1.00 5.18 N ATOM 1816 CA LEU B 202 21.830 -6.845 -5.368 1.00 5.23 C ATOM 1817 C LEU B 202 20.433 -6.243 -5.296 1.00 4.95 C ATOM 1818 O LEU B 202 20.181 -5.339 -4.503 1.00 4.37 O ATOM 1819 CB LEU B 202 22.252 -7.354 -3.985 1.00 4.91 C ATOM 1820 CG LEU B 202 23.619 -8.044 -3.930 1.00 5.32 C ATOM 1821 CD1 LEU B 202 23.936 -8.486 -2.513 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.666 -9.229 -4.882 1.00 6.12 C ATOM 0 H LEU B 202 22.909 -5.048 -5.266 1.00 5.18 H new ATOM 0 HA LEU B 202 21.810 -7.683 -6.065 1.00 5.23 H new ATOM 0 HB2 LEU B 202 22.261 -6.512 -3.293 1.00 4.91 H new ATOM 0 HB3 LEU B 202 21.496 -8.053 -3.627 1.00 4.91 H new ATOM 0 HG LEU B 202 24.375 -7.325 -4.245 1.00 5.32 H new ATOM 0 HD11 LEU B 202 24.910 -8.974 -2.493 1.00 5.10 H new ATOM 0 HD12 LEU B 202 23.952 -7.617 -1.856 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.173 -9.185 -2.171 1.00 5.10 H new ATOM 0 HD21 LEU B 202 24.646 -9.703 -4.825 1.00 6.12 H new ATOM 0 HD22 LEU B 202 22.898 -9.950 -4.603 1.00 6.12 H new ATOM 0 HD23 LEU B 202 23.488 -8.885 -5.901 1.00 6.12 H new ATOM 1834 N GLY B 203 19.530 -6.750 -6.124 1.00 5.44 N ATOM 1835 CA GLY B 203 18.168 -6.249 -6.137 1.00 5.30 C ATOM 1836 C GLY B 203 17.301 -6.927 -5.095 1.00 5.32 C ATOM 1837 O GLY B 203 16.234 -6.432 -4.741 1.00 5.33 O ATOM 0 H GLY B 203 19.716 -7.501 -6.789 1.00 5.44 H new ATOM 0 HA2 GLY B 203 18.176 -5.174 -5.957 1.00 5.30 H new ATOM 0 HA3 GLY B 203 17.735 -6.404 -7.125 1.00 5.30 H new ATOM 1841 N MET B 204 17.780 -8.060 -4.595 1.00 5.45 N ATOM 1842 CA MET B 204 17.065 -8.830 -3.581 1.00 5.69 C ATOM 1843 C MET B 204 16.865 -8.012 -2.311 1.00 5.11 C ATOM 1844 O MET B 204 15.923 -8.242 -1.555 1.00 5.36 O ATOM 1845 CB MET B 204 17.833 -10.120 -3.261 1.00 6.02 C ATOM 1846 CG MET B 204 19.201 -9.885 -2.630 1.00 5.50 C ATOM 1847 SD MET B 204 20.329 -11.277 -2.855 1.00 6.01 S ATOM 1848 CE MET B 204 20.467 -11.328 -4.642 1.00 6.67 C ATOM 0 H MET B 204 18.670 -8.470 -4.878 1.00 5.45 H new ATOM 0 HA MET B 204 16.083 -9.086 -3.978 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.233 -10.731 -2.586 1.00 6.02 H new ATOM 0 HB3 MET B 204 17.961 -10.692 -4.180 1.00 6.02 H new ATOM 0 HG2 MET B 204 19.646 -8.990 -3.064 1.00 5.50 H new ATOM 0 HG3 MET B 204 19.076 -9.694 -1.564 1.00 5.50 H new ATOM 0 HE1 MET B 204 21.435 -11.745 -4.920 1.00 6.67 H new ATOM 0 HE2 MET B 204 19.672 -11.952 -5.051 1.00 6.67 H new ATOM 0 HE3 MET B 204 20.378 -10.318 -5.043 1.00 6.67 H new ATOM 1858 N THR B 205 17.753 -7.059 -2.082 1.00 4.40 N ATOM 1859 CA THR B 205 17.669 -6.215 -0.907 1.00 3.86 C ATOM 1860 C THR B 205 17.331 -4.777 -1.286 1.00 3.22 C ATOM 1861 O THR B 205 17.407 -3.881 -0.453 1.00 2.61 O ATOM 1862 CB THR B 205 18.990 -6.245 -0.119 1.00 3.67 C ATOM 1863 OG1 THR B 205 20.077 -6.552 -1.003 1.00 3.95 O ATOM 1864 CG2 THR B 205 18.930 -7.273 1.002 1.00 4.16 C ATOM 0 H THR B 205 18.540 -6.852 -2.696 1.00 4.40 H new ATOM 0 HA THR B 205 16.870 -6.607 -0.278 1.00 3.86 H new ATOM 0 HB THR B 205 19.148 -5.262 0.324 1.00 3.67 H new ATOM 0 HG1 THR B 205 20.916 -6.568 -0.497 1.00 3.95 H new ATOM 0 HG21 THR B 205 19.875 -7.275 1.544 1.00 4.16 H new ATOM 0 HG22 THR B 205 18.120 -7.019 1.686 1.00 4.16 H new ATOM 0 HG23 THR B 205 18.752 -8.262 0.580 1.00 4.16 H new ATOM 1872 N ASN B 206 16.933 -4.569 -2.542 1.00 3.55 N ATOM 1873 CA ASN B 206 16.590 -3.235 -3.036 1.00 3.31 C ATOM 1874 C ASN B 206 15.468 -2.623 -2.206 1.00 3.04 C ATOM 1875 O ASN B 206 15.551 -1.472 -1.781 1.00 2.62 O ATOM 1876 CB ASN B 206 16.176 -3.299 -4.509 1.00 4.07 C ATOM 1877 CG ASN B 206 15.959 -1.927 -5.119 1.00 4.18 C ATOM 1878 OD1 ASN B 206 14.853 -1.393 -5.106 1.00 4.40 O ATOM 1879 ND2 ASN B 206 17.015 -1.351 -5.673 1.00 4.21 N ATOM 0 H ASN B 206 16.840 -5.310 -3.237 1.00 3.55 H new ATOM 0 HA ASN B 206 17.474 -2.603 -2.945 1.00 3.31 H new ATOM 0 HB2 ASN B 206 16.944 -3.826 -5.075 1.00 4.07 H new ATOM 0 HB3 ASN B 206 15.259 -3.881 -4.599 1.00 4.07 H new ATOM 0 HD21 ASN B 206 16.925 -0.433 -6.108 1.00 4.21 H new ATOM 0 HD22 ASN B 206 17.918 -1.825 -5.664 1.00 4.21 H new ATOM 1886 N SER B 207 14.426 -3.406 -1.983 1.00 3.47 N ATOM 1887 CA SER B 207 13.281 -2.975 -1.198 1.00 3.42 C ATOM 1888 C SER B 207 12.555 -4.200 -0.654 1.00 3.82 C ATOM 1889 O SER B 207 11.387 -4.439 -0.966 1.00 4.01 O ATOM 1890 CB SER B 207 12.327 -2.132 -2.046 1.00 3.85 C ATOM 1891 OG SER B 207 12.889 -0.871 -2.375 1.00 3.99 O ATOM 0 H SER B 207 14.350 -4.358 -2.341 1.00 3.47 H new ATOM 0 HA SER B 207 13.632 -2.359 -0.370 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.082 -2.671 -2.961 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.393 -1.983 -1.504 1.00 3.85 H new ATOM 0 HG SER B 207 13.826 -0.846 -2.089 1.00 3.99 H new ATOM 1897 N HIS B 208 13.269 -4.978 0.144 1.00 4.12 N ATOM 1898 CA HIS B 208 12.725 -6.197 0.722 1.00 4.71 C ATOM 1899 C HIS B 208 12.382 -5.978 2.188 1.00 4.82 C ATOM 1900 O HIS B 208 11.361 -6.531 2.654 1.00 5.20 O ATOM 1901 CB HIS B 208 13.740 -7.337 0.585 1.00 5.42 C ATOM 1902 CG HIS B 208 13.164 -8.696 0.824 1.00 6.08 C ATOM 1903 ND1 HIS B 208 12.071 -8.921 1.627 1.00 6.30 N ATOM 1904 CD2 HIS B 208 13.541 -9.907 0.355 1.00 6.75 C ATOM 1905 CE1 HIS B 208 11.800 -10.210 1.645 1.00 6.95 C ATOM 1906 NE2 HIS B 208 12.676 -10.833 0.879 1.00 7.22 N ATOM 1907 OXT HIS B 208 13.133 -5.252 2.864 1.00 4.71 O ATOM 0 H HIS B 208 14.235 -4.785 0.408 1.00 4.12 H new ATOM 0 HA HIS B 208 11.814 -6.464 0.186 1.00 4.71 H new ATOM 0 HB2 HIS B 208 14.171 -7.307 -0.416 1.00 5.42 H new ATOM 0 HB3 HIS B 208 14.555 -7.170 1.289 1.00 5.42 H new ATOM 0 HD1 HIS B 208 11.551 -8.202 2.130 1.00 6.30 H new ATOM 0 HD2 HIS B 208 14.369 -10.107 -0.309 1.00 6.75 H new ATOM 0 HE1 HIS B 208 10.996 -10.678 2.194 1.00 6.95 H new TER 1916 HIS B 208