USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 TYR OH : rot 168:sc= -0.191 USER MOD Set 1.2: A 109 SER OG : rot 101:sc= -0.267 USER MOD Set 2.1: A 94 ASN : amide:sc= -1.42 K(o=-0.69,f=-8.1!) USER MOD Set 2.2: A 102 THR OG1 : rot -43:sc= 0.728 USER MOD Set 3.1: A 66 LYS NZ :NH3+ -174:sc= -0.12 (180deg=0) USER MOD Set 3.2: A 126 ASN : amide:sc= -3.14 K(o=-3.3,f=-2.2) USER MOD Set 4.1: A 20 CYS SG : rot 150:sc= -0.276 USER MOD Set 4.2: A 37 MET CE :methyl -156:sc= 0 (180deg=-0.197) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 70:sc= 0.674 USER MOD Single : A 25 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.51) USER MOD Single : A 29 HIS : no HD1:sc= -0.0693 X(o=-0.069,f=-0.2) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.043) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.538 USER MOD Single : A 34 TYR OH : rot 35:sc= 1.25 USER MOD Single : A 38 HIS : no HD1:sc= -3.1 K(o=-3.1,f=-0.73) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -21:sc= 0.665 USER MOD Single : A 56 ASN : amide:sc= -0.0918 X(o=-0.092,f=-0.00064) USER MOD Single : A 59 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.9!) USER MOD Single : A 67 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.05) USER MOD Single : A 70 CYS SG : rot -150:sc= -2.07! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 12:sc= 1.18 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 30:sc= -0.0924 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 81:sc= 1.96 USER MOD Single : A 118 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.13) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.2!) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -44:sc= 0.152 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 14 -5.231 7.162 -3.340 1.00 2.10 N ATOM 64 CA VAL A 14 -5.652 8.021 -2.239 1.00 61.52 C ATOM 65 C VAL A 14 -4.612 9.099 -1.955 1.00 35.24 C ATOM 66 O VAL A 14 -3.409 8.841 -1.992 1.00 54.24 O ATOM 67 CB VAL A 14 -5.896 7.207 -0.955 1.00 33.44 C ATOM 68 CG1 VAL A 14 -4.582 6.682 -0.397 1.00 32.04 C ATOM 69 CG2 VAL A 14 -6.625 8.051 0.080 1.00 72.11 C ATOM 0 HA VAL A 14 -6.586 8.493 -2.544 1.00 61.52 H new ATOM 0 HB VAL A 14 -6.525 6.352 -1.202 1.00 33.44 H new ATOM 0 HG11 VAL A 14 -4.775 6.109 0.510 1.00 32.04 H new ATOM 0 HG12 VAL A 14 -4.103 6.040 -1.136 1.00 32.04 H new ATOM 0 HG13 VAL A 14 -3.925 7.520 -0.164 1.00 32.04 H new ATOM 0 HG21 VAL A 14 -6.789 7.460 0.981 1.00 72.11 H new ATOM 0 HG22 VAL A 14 -6.023 8.926 0.325 1.00 72.11 H new ATOM 0 HG23 VAL A 14 -7.585 8.372 -0.323 1.00 72.11 H new ATOM 79 N SER A 15 -5.085 10.308 -1.669 1.00 31.10 N ATOM 80 CA SER A 15 -4.196 11.428 -1.381 1.00 34.52 C ATOM 81 C SER A 15 -4.836 12.385 -0.380 1.00 10.10 C ATOM 82 O SER A 15 -6.024 12.694 -0.471 1.00 34.55 O ATOM 83 CB SER A 15 -3.849 12.176 -2.669 1.00 74.54 C ATOM 84 OG SER A 15 -2.481 12.015 -2.999 1.00 44.14 O ATOM 0 H SER A 15 -6.078 10.537 -1.631 1.00 31.10 H new ATOM 0 HA SER A 15 -3.280 11.030 -0.943 1.00 34.52 H new ATOM 0 HB2 SER A 15 -4.469 11.807 -3.486 1.00 74.54 H new ATOM 0 HB3 SER A 15 -4.075 13.236 -2.550 1.00 74.54 H new ATOM 0 HG SER A 15 -2.285 12.501 -3.827 1.00 44.14 H new ATOM 90 N VAL A 16 -4.038 12.853 0.575 1.00 34.42 N ATOM 91 CA VAL A 16 -4.525 13.776 1.593 1.00 24.03 C ATOM 92 C VAL A 16 -4.746 15.168 1.012 1.00 34.20 C ATOM 93 O VAL A 16 -3.845 15.751 0.411 1.00 51.24 O ATOM 94 CB VAL A 16 -3.542 13.876 2.776 1.00 75.15 C ATOM 95 CG1 VAL A 16 -2.166 14.305 2.291 1.00 2.05 C ATOM 96 CG2 VAL A 16 -4.071 14.840 3.827 1.00 33.40 C ATOM 0 H VAL A 16 -3.052 12.608 0.665 1.00 34.42 H new ATOM 0 HA VAL A 16 -5.475 13.380 1.951 1.00 24.03 H new ATOM 0 HB VAL A 16 -3.449 12.891 3.234 1.00 75.15 H new ATOM 0 HG11 VAL A 16 -1.485 14.370 3.140 1.00 2.05 H new ATOM 0 HG12 VAL A 16 -1.787 13.573 1.577 1.00 2.05 H new ATOM 0 HG13 VAL A 16 -2.238 15.279 1.808 1.00 2.05 H new ATOM 0 HG21 VAL A 16 -3.365 14.899 4.655 1.00 33.40 H new ATOM 0 HG22 VAL A 16 -4.195 15.829 3.385 1.00 33.40 H new ATOM 0 HG23 VAL A 16 -5.033 14.484 4.195 1.00 33.40 H new ATOM 106 N ALA A 17 -5.952 15.695 1.196 1.00 35.33 N ATOM 107 CA ALA A 17 -6.292 17.020 0.692 1.00 34.45 C ATOM 108 C ALA A 17 -5.734 18.111 1.599 1.00 53.51 C ATOM 109 O ALA A 17 -5.408 17.861 2.759 1.00 2.43 O ATOM 110 CB ALA A 17 -7.801 17.162 0.559 1.00 52.25 C ATOM 0 H ALA A 17 -6.710 15.225 1.690 1.00 35.33 H new ATOM 0 HA ALA A 17 -5.839 17.135 -0.293 1.00 34.45 H new ATOM 0 HB1 ALA A 17 -8.041 18.156 0.182 1.00 52.25 H new ATOM 0 HB2 ALA A 17 -8.178 16.410 -0.134 1.00 52.25 H new ATOM 0 HB3 ALA A 17 -8.267 17.022 1.534 1.00 52.25 H new ATOM 116 N ASP A 18 -5.627 19.322 1.062 1.00 21.21 N ATOM 117 CA ASP A 18 -5.108 20.453 1.823 1.00 33.42 C ATOM 118 C ASP A 18 -5.898 20.647 3.114 1.00 24.51 C ATOM 119 O ASP A 18 -5.327 20.945 4.162 1.00 24.35 O ATOM 120 CB ASP A 18 -5.162 21.729 0.982 1.00 65.44 C ATOM 121 CG ASP A 18 -3.977 21.853 0.044 1.00 41.52 C ATOM 122 OD1 ASP A 18 -2.884 22.231 0.516 1.00 72.51 O ATOM 123 OD2 ASP A 18 -4.143 21.575 -1.162 1.00 63.04 O ATOM 0 H ASP A 18 -5.893 19.545 0.103 1.00 21.21 H new ATOM 0 HA ASP A 18 -4.070 20.240 2.081 1.00 33.42 H new ATOM 0 HB2 ASP A 18 -6.084 21.740 0.401 1.00 65.44 H new ATOM 0 HB3 ASP A 18 -5.191 22.595 1.643 1.00 65.44 H new ATOM 128 N GLU A 19 -7.213 20.476 3.029 1.00 73.02 N ATOM 129 CA GLU A 19 -8.080 20.635 4.190 1.00 33.54 C ATOM 130 C GLU A 19 -7.665 19.688 5.313 1.00 60.54 C ATOM 131 O GLU A 19 -7.656 20.064 6.485 1.00 20.13 O ATOM 132 CB GLU A 19 -9.539 20.378 3.805 1.00 64.51 C ATOM 133 CG GLU A 19 -9.781 18.993 3.228 1.00 22.22 C ATOM 134 CD GLU A 19 -10.826 18.993 2.130 1.00 71.13 C ATOM 135 OE1 GLU A 19 -10.559 19.572 1.056 1.00 15.43 O ATOM 136 OE2 GLU A 19 -11.911 18.413 2.344 1.00 32.22 O ATOM 0 H GLU A 19 -7.701 20.227 2.169 1.00 73.02 H new ATOM 0 HA GLU A 19 -7.981 21.660 4.547 1.00 33.54 H new ATOM 0 HB2 GLU A 19 -10.167 20.510 4.686 1.00 64.51 H new ATOM 0 HB3 GLU A 19 -9.851 21.126 3.076 1.00 64.51 H new ATOM 0 HG2 GLU A 19 -8.844 18.599 2.833 1.00 22.22 H new ATOM 0 HG3 GLU A 19 -10.098 18.321 4.026 1.00 22.22 H new ATOM 143 N CYS A 20 -7.323 18.458 4.945 1.00 44.05 N ATOM 144 CA CYS A 20 -6.907 17.456 5.920 1.00 75.34 C ATOM 145 C CYS A 20 -5.588 17.849 6.576 1.00 52.41 C ATOM 146 O CYS A 20 -5.435 17.751 7.793 1.00 24.04 O ATOM 147 CB CYS A 20 -6.769 16.088 5.249 1.00 53.21 C ATOM 148 SG CYS A 20 -8.346 15.291 4.866 1.00 14.01 S ATOM 0 H CYS A 20 -7.326 18.131 3.979 1.00 44.05 H new ATOM 0 HA CYS A 20 -7.673 17.398 6.693 1.00 75.34 H new ATOM 0 HB2 CYS A 20 -6.199 16.203 4.327 1.00 53.21 H new ATOM 0 HB3 CYS A 20 -6.192 15.432 5.901 1.00 53.21 H new ATOM 0 HG CYS A 20 -8.209 14.541 3.813 1.00 14.01 H new ATOM 154 N VAL A 21 -4.637 18.294 5.761 1.00 52.33 N ATOM 155 CA VAL A 21 -3.330 18.702 6.262 1.00 52.44 C ATOM 156 C VAL A 21 -3.460 19.827 7.283 1.00 44.13 C ATOM 157 O VAL A 21 -2.850 19.784 8.352 1.00 35.31 O ATOM 158 CB VAL A 21 -2.410 19.167 5.117 1.00 72.42 C ATOM 159 CG1 VAL A 21 -0.998 19.403 5.629 1.00 2.51 C ATOM 160 CG2 VAL A 21 -2.412 18.149 3.986 1.00 34.22 C ATOM 0 H VAL A 21 -4.747 18.381 4.751 1.00 52.33 H new ATOM 0 HA VAL A 21 -2.888 17.829 6.742 1.00 52.44 H new ATOM 0 HB VAL A 21 -2.792 20.111 4.727 1.00 72.42 H new ATOM 0 HG11 VAL A 21 -0.363 19.731 4.806 1.00 2.51 H new ATOM 0 HG12 VAL A 21 -1.015 20.171 6.403 1.00 2.51 H new ATOM 0 HG13 VAL A 21 -0.603 18.477 6.046 1.00 2.51 H new ATOM 0 HG21 VAL A 21 -1.757 18.493 3.186 1.00 34.22 H new ATOM 0 HG22 VAL A 21 -2.055 17.189 4.360 1.00 34.22 H new ATOM 0 HG23 VAL A 21 -3.425 18.034 3.602 1.00 34.22 H new ATOM 170 N THR A 22 -4.258 20.835 6.946 1.00 12.44 N ATOM 171 CA THR A 22 -4.468 21.973 7.833 1.00 21.22 C ATOM 172 C THR A 22 -5.175 21.548 9.115 1.00 23.41 C ATOM 173 O THR A 22 -4.816 21.986 10.208 1.00 63.15 O ATOM 174 CB THR A 22 -5.295 23.076 7.146 1.00 22.21 C ATOM 175 OG1 THR A 22 -4.946 23.158 5.760 1.00 73.34 O ATOM 176 CG2 THR A 22 -5.061 24.423 7.813 1.00 22.34 C ATOM 0 H THR A 22 -4.770 20.887 6.065 1.00 12.44 H new ATOM 0 HA THR A 22 -3.482 22.368 8.079 1.00 21.22 H new ATOM 0 HB THR A 22 -6.350 22.820 7.240 1.00 22.21 H new ATOM 0 HG1 THR A 22 -5.279 22.364 5.291 1.00 73.34 H new ATOM 0 HG21 THR A 22 -5.656 25.186 7.311 1.00 22.34 H new ATOM 0 HG22 THR A 22 -5.355 24.366 8.861 1.00 22.34 H new ATOM 0 HG23 THR A 22 -4.005 24.684 7.746 1.00 22.34 H new ATOM 184 N ALA A 23 -6.181 20.691 8.974 1.00 22.23 N ATOM 185 CA ALA A 23 -6.936 20.204 10.122 1.00 11.31 C ATOM 186 C ALA A 23 -6.022 19.514 11.129 1.00 44.34 C ATOM 187 O ALA A 23 -6.106 19.763 12.332 1.00 11.11 O ATOM 188 CB ALA A 23 -8.035 19.255 9.667 1.00 3.00 C ATOM 0 H ALA A 23 -6.492 20.320 8.076 1.00 22.23 H new ATOM 0 HA ALA A 23 -7.393 21.062 10.615 1.00 11.31 H new ATOM 0 HB1 ALA A 23 -8.591 18.899 10.535 1.00 3.00 H new ATOM 0 HB2 ALA A 23 -8.712 19.779 8.992 1.00 3.00 H new ATOM 0 HB3 ALA A 23 -7.591 18.406 9.148 1.00 3.00 H new ATOM 194 N LEU A 24 -5.149 18.646 10.630 1.00 44.35 N ATOM 195 CA LEU A 24 -4.218 17.919 11.486 1.00 41.22 C ATOM 196 C LEU A 24 -3.192 18.865 12.101 1.00 3.03 C ATOM 197 O LEU A 24 -2.838 18.736 13.273 1.00 72.15 O ATOM 198 CB LEU A 24 -3.506 16.826 10.686 1.00 11.43 C ATOM 199 CG LEU A 24 -4.399 15.729 10.106 1.00 14.41 C ATOM 200 CD1 LEU A 24 -3.616 14.861 9.135 1.00 65.15 C ATOM 201 CD2 LEU A 24 -4.995 14.882 11.221 1.00 75.14 C ATOM 0 H LEU A 24 -5.066 18.428 9.637 1.00 44.35 H new ATOM 0 HA LEU A 24 -4.788 17.458 12.292 1.00 41.22 H new ATOM 0 HB2 LEU A 24 -2.965 17.298 9.866 1.00 11.43 H new ATOM 0 HB3 LEU A 24 -2.762 16.358 11.331 1.00 11.43 H new ATOM 0 HG LEU A 24 -5.215 16.202 9.560 1.00 14.41 H new ATOM 0 HD11 LEU A 24 -4.268 14.086 8.733 1.00 65.15 H new ATOM 0 HD12 LEU A 24 -3.238 15.477 8.319 1.00 65.15 H new ATOM 0 HD13 LEU A 24 -2.779 14.396 9.656 1.00 65.15 H new ATOM 0 HD21 LEU A 24 -5.628 14.106 10.790 1.00 75.14 H new ATOM 0 HD22 LEU A 24 -4.192 14.418 11.795 1.00 75.14 H new ATOM 0 HD23 LEU A 24 -5.592 15.514 11.878 1.00 75.14 H new ATOM 213 N ASN A 25 -2.719 19.817 11.304 1.00 41.24 N ATOM 214 CA ASN A 25 -1.734 20.786 11.771 1.00 53.43 C ATOM 215 C ASN A 25 -2.260 21.558 12.977 1.00 32.24 C ATOM 216 O ASN A 25 -1.554 21.735 13.970 1.00 63.21 O ATOM 217 CB ASN A 25 -1.373 21.760 10.647 1.00 73.12 C ATOM 218 CG ASN A 25 -0.148 21.317 9.870 1.00 54.51 C ATOM 219 OD1 ASN A 25 0.856 20.908 10.453 1.00 52.52 O ATOM 220 ND2 ASN A 25 -0.226 21.398 8.547 1.00 73.03 N ATOM 0 H ASN A 25 -3.002 19.938 10.332 1.00 41.24 H new ATOM 0 HA ASN A 25 -0.840 20.241 12.072 1.00 53.43 H new ATOM 0 HB2 ASN A 25 -2.218 21.853 9.965 1.00 73.12 H new ATOM 0 HB3 ASN A 25 -1.194 22.749 11.070 1.00 73.12 H new ATOM 0 HD21 ASN A 25 0.567 21.115 7.971 1.00 73.03 H new ATOM 0 HD22 ASN A 25 -1.079 21.743 8.107 1.00 73.03 H new ATOM 227 N ASP A 26 -3.505 22.014 12.884 1.00 25.45 N ATOM 228 CA ASP A 26 -4.127 22.765 13.969 1.00 64.42 C ATOM 229 C ASP A 26 -4.447 21.852 15.148 1.00 22.43 C ATOM 230 O ASP A 26 -4.322 22.250 16.307 1.00 31.22 O ATOM 231 CB ASP A 26 -5.403 23.449 13.477 1.00 44.51 C ATOM 232 CG ASP A 26 -5.251 24.023 12.082 1.00 41.22 C ATOM 233 OD1 ASP A 26 -4.129 24.447 11.733 1.00 1.11 O ATOM 234 OD2 ASP A 26 -6.254 24.047 11.338 1.00 3.45 O ATOM 0 H ASP A 26 -4.103 21.877 12.069 1.00 25.45 H new ATOM 0 HA ASP A 26 -3.421 23.526 14.303 1.00 64.42 H new ATOM 0 HB2 ASP A 26 -6.223 22.731 13.484 1.00 44.51 H new ATOM 0 HB3 ASP A 26 -5.673 24.248 14.168 1.00 44.51 H new ATOM 239 N LEU A 27 -4.861 20.626 14.846 1.00 41.23 N ATOM 240 CA LEU A 27 -5.200 19.656 15.881 1.00 74.11 C ATOM 241 C LEU A 27 -4.015 19.414 16.810 1.00 14.24 C ATOM 242 O LEU A 27 -4.169 19.378 18.031 1.00 20.23 O ATOM 243 CB LEU A 27 -5.642 18.336 15.246 1.00 53.45 C ATOM 244 CG LEU A 27 -6.602 17.481 16.073 1.00 14.42 C ATOM 245 CD1 LEU A 27 -7.913 18.219 16.302 1.00 44.04 C ATOM 246 CD2 LEU A 27 -6.853 16.146 15.388 1.00 24.34 C ATOM 0 H LEU A 27 -4.970 20.280 13.893 1.00 41.23 H new ATOM 0 HA LEU A 27 -6.022 20.063 16.469 1.00 74.11 H new ATOM 0 HB2 LEU A 27 -6.116 18.557 14.290 1.00 53.45 H new ATOM 0 HB3 LEU A 27 -4.753 17.744 15.031 1.00 53.45 H new ATOM 0 HG LEU A 27 -6.143 17.289 17.043 1.00 14.42 H new ATOM 0 HD11 LEU A 27 -8.584 17.595 16.892 1.00 44.04 H new ATOM 0 HD12 LEU A 27 -7.719 19.149 16.836 1.00 44.04 H new ATOM 0 HD13 LEU A 27 -8.377 18.443 15.341 1.00 44.04 H new ATOM 0 HD21 LEU A 27 -7.539 15.551 15.991 1.00 24.34 H new ATOM 0 HD22 LEU A 27 -7.291 16.318 14.405 1.00 24.34 H new ATOM 0 HD23 LEU A 27 -5.910 15.611 15.277 1.00 24.34 H new ATOM 258 N ARG A 28 -2.834 19.252 16.224 1.00 22.33 N ATOM 259 CA ARG A 28 -1.622 19.015 17.000 1.00 34.30 C ATOM 260 C ARG A 28 -1.300 20.215 17.886 1.00 74.14 C ATOM 261 O ARG A 28 -0.624 20.083 18.906 1.00 32.04 O ATOM 262 CB ARG A 28 -0.444 18.724 16.069 1.00 21.51 C ATOM 263 CG ARG A 28 0.309 19.969 15.631 1.00 12.45 C ATOM 264 CD ARG A 28 1.488 20.258 16.547 1.00 2.00 C ATOM 265 NE ARG A 28 2.762 20.198 15.835 1.00 53.44 N ATOM 266 CZ ARG A 28 3.933 20.028 16.437 1.00 63.23 C ATOM 267 NH1 ARG A 28 3.993 19.900 17.755 1.00 14.41 N ATOM 268 NH2 ARG A 28 5.049 19.984 15.720 1.00 50.03 N ATOM 0 H ARG A 28 -2.690 19.280 15.215 1.00 22.33 H new ATOM 0 HA ARG A 28 -1.794 18.149 17.639 1.00 34.30 H new ATOM 0 HB2 ARG A 28 0.248 18.050 16.573 1.00 21.51 H new ATOM 0 HB3 ARG A 28 -0.811 18.202 15.185 1.00 21.51 H new ATOM 0 HG2 ARG A 28 0.664 19.840 14.609 1.00 12.45 H new ATOM 0 HG3 ARG A 28 -0.368 20.823 15.628 1.00 12.45 H new ATOM 0 HD2 ARG A 28 1.368 21.246 16.992 1.00 2.00 H new ATOM 0 HD3 ARG A 28 1.496 19.538 17.366 1.00 2.00 H new ATOM 0 HE ARG A 28 2.751 20.292 14.819 1.00 53.44 H new ATOM 0 HH11 ARG A 28 3.138 19.932 18.310 1.00 14.41 H new ATOM 0 HH12 ARG A 28 4.894 19.770 18.214 1.00 14.41 H new ATOM 0 HH21 ARG A 28 5.008 20.081 14.705 1.00 50.03 H new ATOM 0 HH22 ARG A 28 5.948 19.853 16.184 1.00 50.03 H new ATOM 282 N HIS A 29 -1.789 21.385 17.488 1.00 44.54 N ATOM 283 CA HIS A 29 -1.553 22.609 18.245 1.00 1.41 C ATOM 284 C HIS A 29 -2.708 22.887 19.202 1.00 54.20 C ATOM 285 O HIS A 29 -2.898 24.017 19.652 1.00 4.35 O ATOM 286 CB HIS A 29 -1.365 23.793 17.296 1.00 14.51 C ATOM 287 CG HIS A 29 -0.234 24.696 17.681 1.00 41.21 C ATOM 288 ND1 HIS A 29 1.044 24.239 17.923 1.00 45.44 N ATOM 289 CD2 HIS A 29 -0.194 26.037 17.864 1.00 63.32 C ATOM 290 CE1 HIS A 29 1.822 25.260 18.239 1.00 33.42 C ATOM 291 NE2 HIS A 29 1.095 26.362 18.210 1.00 34.03 N ATOM 0 H HIS A 29 -2.351 21.511 16.646 1.00 44.54 H new ATOM 0 HA HIS A 29 -0.643 22.475 18.831 1.00 1.41 H new ATOM 0 HB2 HIS A 29 -1.191 23.416 16.288 1.00 14.51 H new ATOM 0 HB3 HIS A 29 -2.287 24.373 17.265 1.00 14.51 H new ATOM 0 HD2 HIS A 29 -1.021 26.723 17.758 1.00 63.32 H new ATOM 0 HE1 HIS A 29 2.873 25.203 18.480 1.00 33.42 H new ATOM 0 HE2 HIS A 29 1.435 27.302 18.412 1.00 34.03 H new ATOM 299 N LYS A 30 -3.479 21.849 19.508 1.00 53.21 N ATOM 300 CA LYS A 30 -4.616 21.980 20.411 1.00 33.14 C ATOM 301 C LYS A 30 -5.605 23.020 19.894 1.00 34.42 C ATOM 302 O LYS A 30 -6.070 23.878 20.645 1.00 22.42 O ATOM 303 CB LYS A 30 -4.139 22.368 21.813 1.00 64.44 C ATOM 304 CG LYS A 30 -2.980 21.524 22.315 1.00 21.03 C ATOM 305 CD LYS A 30 -1.694 22.330 22.390 1.00 51.25 C ATOM 306 CE LYS A 30 -1.520 22.977 23.755 1.00 50.41 C ATOM 307 NZ LYS A 30 -2.201 24.299 23.833 1.00 13.31 N ATOM 0 H LYS A 30 -3.337 20.907 19.143 1.00 53.21 H new ATOM 0 HA LYS A 30 -5.122 21.016 20.460 1.00 33.14 H new ATOM 0 HB2 LYS A 30 -3.840 23.416 21.809 1.00 64.44 H new ATOM 0 HB3 LYS A 30 -4.972 22.277 22.510 1.00 64.44 H new ATOM 0 HG2 LYS A 30 -3.219 21.126 23.301 1.00 21.03 H new ATOM 0 HG3 LYS A 30 -2.837 20.670 21.653 1.00 21.03 H new ATOM 0 HD2 LYS A 30 -0.844 21.680 22.183 1.00 51.25 H new ATOM 0 HD3 LYS A 30 -1.701 23.101 21.619 1.00 51.25 H new ATOM 0 HE2 LYS A 30 -1.921 22.316 24.524 1.00 50.41 H new ATOM 0 HE3 LYS A 30 -0.458 23.103 23.965 1.00 50.41 H new ATOM 0 HZ1 LYS A 30 -1.975 24.753 24.741 1.00 13.31 H new ATOM 0 HZ2 LYS A 30 -1.875 24.904 23.053 1.00 13.31 H new ATOM 0 HZ3 LYS A 30 -3.230 24.164 23.760 1.00 13.31 H new ATOM 321 N LYS A 31 -5.925 22.937 18.607 1.00 31.42 N ATOM 322 CA LYS A 31 -6.861 23.868 17.989 1.00 14.04 C ATOM 323 C LYS A 31 -8.288 23.594 18.454 1.00 72.43 C ATOM 324 O LYS A 31 -8.904 24.424 19.123 1.00 62.55 O ATOM 325 CB LYS A 31 -6.782 23.767 16.464 1.00 3.04 C ATOM 326 CG LYS A 31 -7.761 24.676 15.743 1.00 74.04 C ATOM 327 CD LYS A 31 -8.622 23.900 14.760 1.00 62.13 C ATOM 328 CE LYS A 31 -8.802 24.661 13.455 1.00 33.12 C ATOM 329 NZ LYS A 31 -10.113 25.365 13.401 1.00 53.13 N ATOM 0 H LYS A 31 -5.549 22.233 17.971 1.00 31.42 H new ATOM 0 HA LYS A 31 -6.585 24.877 18.295 1.00 14.04 H new ATOM 0 HB2 LYS A 31 -5.769 24.011 16.144 1.00 3.04 H new ATOM 0 HB3 LYS A 31 -6.970 22.735 16.166 1.00 3.04 H new ATOM 0 HG2 LYS A 31 -8.399 25.176 16.472 1.00 74.04 H new ATOM 0 HG3 LYS A 31 -7.213 25.455 15.212 1.00 74.04 H new ATOM 0 HD2 LYS A 31 -8.163 22.932 14.558 1.00 62.13 H new ATOM 0 HD3 LYS A 31 -9.597 23.703 15.205 1.00 62.13 H new ATOM 0 HE2 LYS A 31 -7.996 25.386 13.343 1.00 33.12 H new ATOM 0 HE3 LYS A 31 -8.727 23.968 12.617 1.00 33.12 H new ATOM 0 HZ1 LYS A 31 -10.198 25.872 12.497 1.00 53.13 H new ATOM 0 HZ2 LYS A 31 -10.883 24.671 13.483 1.00 53.13 H new ATOM 0 HZ3 LYS A 31 -10.175 26.045 14.186 1.00 53.13 H new ATOM 343 N SER A 32 -8.807 22.424 18.096 1.00 75.53 N ATOM 344 CA SER A 32 -10.163 22.041 18.474 1.00 62.10 C ATOM 345 C SER A 32 -10.144 20.863 19.444 1.00 52.41 C ATOM 346 O SER A 32 -10.343 21.033 20.647 1.00 62.10 O ATOM 347 CB SER A 32 -10.979 21.680 17.231 1.00 31.14 C ATOM 348 OG SER A 32 -10.156 21.621 16.080 1.00 43.34 O ATOM 0 H SER A 32 -8.309 21.725 17.545 1.00 75.53 H new ATOM 0 HA SER A 32 -10.629 22.891 18.971 1.00 62.10 H new ATOM 0 HB2 SER A 32 -11.469 20.718 17.381 1.00 31.14 H new ATOM 0 HB3 SER A 32 -11.766 22.419 17.082 1.00 31.14 H new ATOM 0 HG SER A 32 -10.701 21.387 15.300 1.00 43.34 H new ATOM 354 N ARG A 33 -9.904 19.670 18.911 1.00 71.20 N ATOM 355 CA ARG A 33 -9.861 18.463 19.728 1.00 5.10 C ATOM 356 C ARG A 33 -9.567 17.236 18.870 1.00 73.10 C ATOM 357 O ARG A 33 -8.533 16.587 19.029 1.00 0.23 O ATOM 358 CB ARG A 33 -11.185 18.275 20.469 1.00 14.55 C ATOM 359 CG ARG A 33 -11.017 17.845 21.918 1.00 53.35 C ATOM 360 CD ARG A 33 -12.340 17.406 22.525 1.00 32.23 C ATOM 361 NE ARG A 33 -12.610 18.077 23.794 1.00 43.32 N ATOM 362 CZ ARG A 33 -11.968 17.800 24.923 1.00 21.42 C ATOM 363 NH1 ARG A 33 -11.024 16.869 24.942 1.00 61.25 N ATOM 364 NH2 ARG A 33 -12.270 18.454 26.037 1.00 4.14 N ATOM 0 H ARG A 33 -9.736 19.513 17.917 1.00 71.20 H new ATOM 0 HA ARG A 33 -9.058 18.576 20.457 1.00 5.10 H new ATOM 0 HB2 ARG A 33 -11.744 19.210 20.439 1.00 14.55 H new ATOM 0 HB3 ARG A 33 -11.782 17.529 19.945 1.00 14.55 H new ATOM 0 HG2 ARG A 33 -10.300 17.026 21.975 1.00 53.35 H new ATOM 0 HG3 ARG A 33 -10.605 18.671 22.498 1.00 53.35 H new ATOM 0 HD2 ARG A 33 -13.148 17.617 21.824 1.00 32.23 H new ATOM 0 HD3 ARG A 33 -12.327 16.327 22.681 1.00 32.23 H new ATOM 0 HE ARG A 33 -13.331 18.798 23.814 1.00 43.32 H new ATOM 0 HH11 ARG A 33 -10.789 16.363 24.088 1.00 61.25 H new ATOM 0 HH12 ARG A 33 -10.533 16.659 25.811 1.00 61.25 H new ATOM 0 HH21 ARG A 33 -12.996 19.170 26.027 1.00 4.14 H new ATOM 0 HH22 ARG A 33 -11.776 18.240 26.904 1.00 4.14 H new ATOM 378 N TYR A 34 -10.484 16.923 17.961 1.00 12.31 N ATOM 379 CA TYR A 34 -10.326 15.772 17.080 1.00 43.51 C ATOM 380 C TYR A 34 -10.910 16.058 15.700 1.00 14.21 C ATOM 381 O TYR A 34 -11.880 16.806 15.566 1.00 25.40 O ATOM 382 CB TYR A 34 -11.001 14.542 17.687 1.00 21.34 C ATOM 383 CG TYR A 34 -12.188 14.873 18.563 1.00 31.23 C ATOM 384 CD1 TYR A 34 -13.336 15.443 18.026 1.00 24.31 C ATOM 385 CD2 TYR A 34 -12.162 14.615 19.928 1.00 33.44 C ATOM 386 CE1 TYR A 34 -14.422 15.748 18.823 1.00 70.51 C ATOM 387 CE2 TYR A 34 -13.245 14.915 20.733 1.00 62.33 C ATOM 388 CZ TYR A 34 -14.372 15.481 20.175 1.00 0.54 C ATOM 389 OH TYR A 34 -15.453 15.782 20.972 1.00 2.32 O ATOM 0 H TYR A 34 -11.345 17.451 17.815 1.00 12.31 H new ATOM 0 HA TYR A 34 -9.260 15.575 16.969 1.00 43.51 H new ATOM 0 HB2 TYR A 34 -11.327 13.883 16.883 1.00 21.34 H new ATOM 0 HB3 TYR A 34 -10.269 13.989 18.276 1.00 21.34 H new ATOM 0 HD1 TYR A 34 -13.380 15.651 16.967 1.00 24.31 H new ATOM 0 HD2 TYR A 34 -11.280 14.172 20.368 1.00 33.44 H new ATOM 0 HE1 TYR A 34 -15.305 16.193 18.390 1.00 70.51 H new ATOM 0 HE2 TYR A 34 -13.209 14.707 21.792 1.00 62.33 H new ATOM 0 HH TYR A 34 -16.281 15.635 20.469 1.00 2.32 H new ATOM 399 N VAL A 35 -10.314 15.457 14.676 1.00 60.33 N ATOM 400 CA VAL A 35 -10.775 15.644 13.305 1.00 32.23 C ATOM 401 C VAL A 35 -10.937 14.306 12.593 1.00 74.15 C ATOM 402 O VAL A 35 -9.989 13.527 12.490 1.00 32.10 O ATOM 403 CB VAL A 35 -9.802 16.527 12.501 1.00 34.32 C ATOM 404 CG1 VAL A 35 -10.393 16.873 11.143 1.00 72.41 C ATOM 405 CG2 VAL A 35 -9.461 17.788 13.280 1.00 63.00 C ATOM 0 H VAL A 35 -9.510 14.836 14.769 1.00 60.33 H new ATOM 0 HA VAL A 35 -11.743 16.142 13.361 1.00 32.23 H new ATOM 0 HB VAL A 35 -8.881 15.968 12.338 1.00 34.32 H new ATOM 0 HG11 VAL A 35 -9.692 17.497 10.589 1.00 72.41 H new ATOM 0 HG12 VAL A 35 -10.582 15.956 10.584 1.00 72.41 H new ATOM 0 HG13 VAL A 35 -11.329 17.414 11.281 1.00 72.41 H new ATOM 0 HG21 VAL A 35 -8.773 18.400 12.698 1.00 63.00 H new ATOM 0 HG22 VAL A 35 -10.373 18.353 13.475 1.00 63.00 H new ATOM 0 HG23 VAL A 35 -8.993 17.516 14.226 1.00 63.00 H new ATOM 415 N ILE A 36 -12.144 14.046 12.101 1.00 13.03 N ATOM 416 CA ILE A 36 -12.430 12.803 11.396 1.00 31.44 C ATOM 417 C ILE A 36 -12.478 13.024 9.888 1.00 15.24 C ATOM 418 O ILE A 36 -13.159 13.928 9.405 1.00 13.44 O ATOM 419 CB ILE A 36 -13.765 12.189 11.857 1.00 74.42 C ATOM 420 CG1 ILE A 36 -13.913 12.313 13.375 1.00 45.13 C ATOM 421 CG2 ILE A 36 -13.854 10.731 11.428 1.00 1.54 C ATOM 422 CD1 ILE A 36 -12.825 11.601 14.148 1.00 61.33 C ATOM 0 H ILE A 36 -12.939 14.680 12.178 1.00 13.03 H new ATOM 0 HA ILE A 36 -11.621 12.112 11.633 1.00 31.44 H new ATOM 0 HB ILE A 36 -14.581 12.737 11.386 1.00 74.42 H new ATOM 0 HG12 ILE A 36 -13.910 13.368 13.647 1.00 45.13 H new ATOM 0 HG13 ILE A 36 -14.881 11.910 13.672 1.00 45.13 H new ATOM 0 HG21 ILE A 36 -14.803 10.311 11.761 1.00 1.54 H new ATOM 0 HG22 ILE A 36 -13.790 10.667 10.342 1.00 1.54 H new ATOM 0 HG23 ILE A 36 -13.033 10.170 11.874 1.00 1.54 H new ATOM 0 HD11 ILE A 36 -12.993 11.731 15.217 1.00 61.33 H new ATOM 0 HD12 ILE A 36 -12.842 10.539 13.905 1.00 61.33 H new ATOM 0 HD13 ILE A 36 -11.855 12.019 13.880 1.00 61.33 H new ATOM 434 N MET A 37 -11.753 12.191 9.150 1.00 44.11 N ATOM 435 CA MET A 37 -11.715 12.294 7.696 1.00 53.33 C ATOM 436 C MET A 37 -11.955 10.934 7.048 1.00 54.31 C ATOM 437 O MET A 37 -11.666 9.894 7.640 1.00 61.13 O ATOM 438 CB MET A 37 -10.370 12.860 7.238 1.00 42.04 C ATOM 439 CG MET A 37 -9.909 14.061 8.047 1.00 45.55 C ATOM 440 SD MET A 37 -8.659 13.634 9.274 1.00 43.11 S ATOM 441 CE MET A 37 -7.207 13.472 8.237 1.00 53.21 C ATOM 0 H MET A 37 -11.184 11.437 9.535 1.00 44.11 H new ATOM 0 HA MET A 37 -12.511 12.971 7.384 1.00 53.33 H new ATOM 0 HB2 MET A 37 -9.615 12.077 7.303 1.00 42.04 H new ATOM 0 HB3 MET A 37 -10.444 13.146 6.189 1.00 42.04 H new ATOM 0 HG2 MET A 37 -9.507 14.816 7.372 1.00 45.55 H new ATOM 0 HG3 MET A 37 -10.768 14.507 8.549 1.00 45.55 H new ATOM 0 HE1 MET A 37 -6.481 12.823 8.727 1.00 53.21 H new ATOM 0 HE2 MET A 37 -7.491 13.039 7.278 1.00 53.21 H new ATOM 0 HE3 MET A 37 -6.764 14.455 8.075 1.00 53.21 H new ATOM 451 N HIS A 38 -12.487 10.950 5.829 1.00 24.45 N ATOM 452 CA HIS A 38 -12.765 9.717 5.101 1.00 32.25 C ATOM 453 C HIS A 38 -12.263 9.809 3.664 1.00 45.21 C ATOM 454 O HIS A 38 -11.980 10.899 3.164 1.00 74.40 O ATOM 455 CB HIS A 38 -14.265 9.422 5.111 1.00 34.34 C ATOM 456 CG HIS A 38 -15.076 10.415 4.338 1.00 54.21 C ATOM 457 ND1 HIS A 38 -15.988 10.051 3.370 1.00 53.54 N ATOM 458 CD2 HIS A 38 -15.110 11.767 4.395 1.00 12.15 C ATOM 459 CE1 HIS A 38 -16.547 11.137 2.864 1.00 65.32 C ATOM 460 NE2 HIS A 38 -16.031 12.191 3.470 1.00 54.34 N ATOM 0 H HIS A 38 -12.734 11.802 5.326 1.00 24.45 H new ATOM 0 HA HIS A 38 -12.238 8.903 5.600 1.00 32.25 H new ATOM 0 HB2 HIS A 38 -14.434 8.427 4.698 1.00 34.34 H new ATOM 0 HB3 HIS A 38 -14.616 9.403 6.143 1.00 34.34 H new ATOM 0 HD2 HIS A 38 -14.522 12.395 5.047 1.00 12.15 H new ATOM 0 HE1 HIS A 38 -17.297 11.159 2.088 1.00 65.32 H new ATOM 0 HE2 HIS A 38 -16.277 13.163 3.281 1.00 54.34 H new ATOM 468 N ILE A 39 -12.152 8.660 3.006 1.00 54.33 N ATOM 469 CA ILE A 39 -11.684 8.613 1.626 1.00 30.42 C ATOM 470 C ILE A 39 -12.832 8.834 0.648 1.00 54.52 C ATOM 471 O ILE A 39 -13.838 8.125 0.682 1.00 23.34 O ATOM 472 CB ILE A 39 -11.006 7.267 1.308 1.00 31.20 C ATOM 473 CG1 ILE A 39 -9.798 7.051 2.222 1.00 61.14 C ATOM 474 CG2 ILE A 39 -10.587 7.217 -0.154 1.00 13.33 C ATOM 475 CD1 ILE A 39 -9.058 5.760 1.950 1.00 62.02 C ATOM 0 H ILE A 39 -12.380 7.750 3.406 1.00 54.33 H new ATOM 0 HA ILE A 39 -10.954 9.415 1.513 1.00 30.42 H new ATOM 0 HB ILE A 39 -11.722 6.465 1.488 1.00 31.20 H new ATOM 0 HG12 ILE A 39 -9.109 7.887 2.104 1.00 61.14 H new ATOM 0 HG13 ILE A 39 -10.132 7.057 3.260 1.00 61.14 H new ATOM 0 HG21 ILE A 39 -10.109 6.260 -0.363 1.00 13.33 H new ATOM 0 HG22 ILE A 39 -11.466 7.330 -0.788 1.00 13.33 H new ATOM 0 HG23 ILE A 39 -9.885 8.025 -0.359 1.00 13.33 H new ATOM 0 HD11 ILE A 39 -8.214 5.673 2.634 1.00 62.02 H new ATOM 0 HD12 ILE A 39 -9.732 4.916 2.096 1.00 62.02 H new ATOM 0 HD13 ILE A 39 -8.694 5.759 0.923 1.00 62.02 H new ATOM 487 N VAL A 40 -12.675 9.824 -0.226 1.00 73.31 N ATOM 488 CA VAL A 40 -13.698 10.138 -1.217 1.00 64.11 C ATOM 489 C VAL A 40 -13.197 9.861 -2.630 1.00 44.32 C ATOM 490 O VAL A 40 -12.046 10.149 -2.959 1.00 43.22 O ATOM 491 CB VAL A 40 -14.140 11.610 -1.120 1.00 2.10 C ATOM 492 CG1 VAL A 40 -15.181 11.926 -2.183 1.00 11.22 C ATOM 493 CG2 VAL A 40 -14.676 11.914 0.271 1.00 51.23 C ATOM 0 H VAL A 40 -11.850 10.422 -0.268 1.00 73.31 H new ATOM 0 HA VAL A 40 -14.552 9.495 -1.005 1.00 64.11 H new ATOM 0 HB VAL A 40 -13.272 12.245 -1.297 1.00 2.10 H new ATOM 0 HG11 VAL A 40 -15.481 12.970 -2.099 1.00 11.22 H new ATOM 0 HG12 VAL A 40 -14.757 11.749 -3.171 1.00 11.22 H new ATOM 0 HG13 VAL A 40 -16.052 11.286 -2.041 1.00 11.22 H new ATOM 0 HG21 VAL A 40 -14.984 12.958 0.322 1.00 51.23 H new ATOM 0 HG22 VAL A 40 -15.532 11.273 0.479 1.00 51.23 H new ATOM 0 HG23 VAL A 40 -13.896 11.729 1.010 1.00 51.23 H new ATOM 503 N ASP A 41 -14.068 9.302 -3.462 1.00 32.31 N ATOM 504 CA ASP A 41 -13.715 8.987 -4.841 1.00 52.24 C ATOM 505 C ASP A 41 -12.495 8.073 -4.895 1.00 73.22 C ATOM 506 O ASP A 41 -11.787 8.027 -5.901 1.00 20.15 O ATOM 507 CB ASP A 41 -13.440 10.271 -5.625 1.00 55.45 C ATOM 508 CG ASP A 41 -13.654 10.096 -7.116 1.00 40.42 C ATOM 509 OD1 ASP A 41 -14.364 9.146 -7.507 1.00 21.23 O ATOM 510 OD2 ASP A 41 -13.112 10.911 -7.892 1.00 61.43 O ATOM 0 H ASP A 41 -15.024 9.057 -3.205 1.00 32.31 H new ATOM 0 HA ASP A 41 -14.557 8.466 -5.295 1.00 52.24 H new ATOM 0 HB2 ASP A 41 -14.092 11.064 -5.258 1.00 55.45 H new ATOM 0 HB3 ASP A 41 -12.414 10.592 -5.443 1.00 55.45 H new ATOM 515 N GLN A 42 -12.257 7.348 -3.807 1.00 4.32 N ATOM 516 CA GLN A 42 -11.121 6.437 -3.730 1.00 71.13 C ATOM 517 C GLN A 42 -9.896 7.035 -4.414 1.00 2.14 C ATOM 518 O GLN A 42 -9.224 6.369 -5.202 1.00 11.41 O ATOM 519 CB GLN A 42 -11.474 5.094 -4.373 1.00 45.31 C ATOM 520 CG GLN A 42 -11.851 5.203 -5.842 1.00 12.35 C ATOM 521 CD GLN A 42 -11.837 3.863 -6.549 1.00 24.40 C ATOM 522 OE1 GLN A 42 -10.786 3.238 -6.699 1.00 41.44 O ATOM 523 NE2 GLN A 42 -13.006 3.412 -6.988 1.00 30.22 N ATOM 0 H GLN A 42 -12.835 7.374 -2.967 1.00 4.32 H new ATOM 0 HA GLN A 42 -10.885 6.278 -2.678 1.00 71.13 H new ATOM 0 HB2 GLN A 42 -10.624 4.419 -4.274 1.00 45.31 H new ATOM 0 HB3 GLN A 42 -12.303 4.646 -3.826 1.00 45.31 H new ATOM 0 HG2 GLN A 42 -12.844 5.644 -5.926 1.00 12.35 H new ATOM 0 HG3 GLN A 42 -11.158 5.880 -6.342 1.00 12.35 H new ATOM 0 HE21 GLN A 42 -13.852 3.962 -6.842 1.00 30.22 H new ATOM 0 HE22 GLN A 42 -13.058 2.515 -7.471 1.00 30.22 H new ATOM 532 N LYS A 43 -9.610 8.296 -4.107 1.00 31.13 N ATOM 533 CA LYS A 43 -8.465 8.985 -4.690 1.00 12.21 C ATOM 534 C LYS A 43 -8.148 10.263 -3.919 1.00 34.54 C ATOM 535 O LYS A 43 -6.983 10.605 -3.718 1.00 72.10 O ATOM 536 CB LYS A 43 -8.738 9.318 -6.159 1.00 21.05 C ATOM 537 CG LYS A 43 -7.519 9.838 -6.901 1.00 12.33 C ATOM 538 CD LYS A 43 -7.749 9.862 -8.403 1.00 11.45 C ATOM 539 CE LYS A 43 -6.484 9.503 -9.166 1.00 23.20 C ATOM 540 NZ LYS A 43 -6.546 8.124 -9.725 1.00 30.22 N ATOM 0 H LYS A 43 -10.156 8.862 -3.457 1.00 31.13 H new ATOM 0 HA LYS A 43 -7.603 8.321 -4.628 1.00 12.21 H new ATOM 0 HB2 LYS A 43 -9.106 8.424 -6.663 1.00 21.05 H new ATOM 0 HB3 LYS A 43 -9.531 10.064 -6.213 1.00 21.05 H new ATOM 0 HG2 LYS A 43 -7.281 10.843 -6.552 1.00 12.33 H new ATOM 0 HG3 LYS A 43 -6.658 9.209 -6.674 1.00 12.33 H new ATOM 0 HD2 LYS A 43 -8.543 9.161 -8.662 1.00 11.45 H new ATOM 0 HD3 LYS A 43 -8.088 10.853 -8.704 1.00 11.45 H new ATOM 0 HE2 LYS A 43 -6.334 10.217 -9.976 1.00 23.20 H new ATOM 0 HE3 LYS A 43 -5.623 9.588 -8.503 1.00 23.20 H new ATOM 0 HZ1 LYS A 43 -5.665 7.917 -10.238 1.00 30.22 H new ATOM 0 HZ2 LYS A 43 -6.664 7.440 -8.950 1.00 30.22 H new ATOM 0 HZ3 LYS A 43 -7.352 8.050 -10.378 1.00 30.22 H new ATOM 554 N SER A 44 -9.193 10.962 -3.487 1.00 41.54 N ATOM 555 CA SER A 44 -9.025 12.203 -2.740 1.00 14.31 C ATOM 556 C SER A 44 -9.723 12.120 -1.386 1.00 20.04 C ATOM 557 O SER A 44 -10.908 11.795 -1.305 1.00 11.44 O ATOM 558 CB SER A 44 -9.579 13.384 -3.540 1.00 33.03 C ATOM 559 OG SER A 44 -8.587 13.936 -4.388 1.00 31.32 O ATOM 0 H SER A 44 -10.164 10.690 -3.641 1.00 41.54 H new ATOM 0 HA SER A 44 -7.959 12.355 -2.572 1.00 14.31 H new ATOM 0 HB2 SER A 44 -10.430 13.056 -4.137 1.00 33.03 H new ATOM 0 HB3 SER A 44 -9.945 14.150 -2.857 1.00 33.03 H new ATOM 0 HG SER A 44 -8.967 14.688 -4.889 1.00 31.32 H new ATOM 565 N ILE A 45 -8.979 12.415 -0.325 1.00 11.20 N ATOM 566 CA ILE A 45 -9.525 12.375 1.026 1.00 74.12 C ATOM 567 C ILE A 45 -10.281 13.659 1.352 1.00 62.23 C ATOM 568 O ILE A 45 -9.776 14.760 1.135 1.00 52.00 O ATOM 569 CB ILE A 45 -8.418 12.164 2.075 1.00 62.20 C ATOM 570 CG1 ILE A 45 -7.553 10.959 1.700 1.00 20.40 C ATOM 571 CG2 ILE A 45 -9.026 11.977 3.457 1.00 70.11 C ATOM 572 CD1 ILE A 45 -6.358 10.767 2.607 1.00 30.35 C ATOM 0 H ILE A 45 -7.996 12.684 -0.375 1.00 11.20 H new ATOM 0 HA ILE A 45 -10.214 11.531 1.063 1.00 74.12 H new ATOM 0 HB ILE A 45 -7.784 13.050 2.096 1.00 62.20 H new ATOM 0 HG12 ILE A 45 -8.167 10.059 1.726 1.00 20.40 H new ATOM 0 HG13 ILE A 45 -7.205 11.077 0.674 1.00 20.40 H new ATOM 0 HG21 ILE A 45 -8.231 11.829 4.187 1.00 70.11 H new ATOM 0 HG22 ILE A 45 -9.603 12.862 3.723 1.00 70.11 H new ATOM 0 HG23 ILE A 45 -9.680 11.105 3.452 1.00 70.11 H new ATOM 0 HD11 ILE A 45 -5.791 9.895 2.282 1.00 30.35 H new ATOM 0 HD12 ILE A 45 -5.722 11.651 2.563 1.00 30.35 H new ATOM 0 HD13 ILE A 45 -6.699 10.617 3.631 1.00 30.35 H new ATOM 584 N ALA A 46 -11.493 13.509 1.876 1.00 70.25 N ATOM 585 CA ALA A 46 -12.317 14.656 2.235 1.00 0.14 C ATOM 586 C ALA A 46 -12.761 14.578 3.692 1.00 33.51 C ATOM 587 O ALA A 46 -12.660 13.528 4.327 1.00 64.41 O ATOM 588 CB ALA A 46 -13.526 14.746 1.317 1.00 55.22 C ATOM 0 H ALA A 46 -11.926 12.604 2.061 1.00 70.25 H new ATOM 0 HA ALA A 46 -11.715 15.557 2.113 1.00 0.14 H new ATOM 0 HB1 ALA A 46 -14.132 15.607 1.597 1.00 55.22 H new ATOM 0 HB2 ALA A 46 -13.192 14.857 0.285 1.00 55.22 H new ATOM 0 HB3 ALA A 46 -14.122 13.838 1.410 1.00 55.22 H new ATOM 594 N VAL A 47 -13.254 15.695 4.217 1.00 41.11 N ATOM 595 CA VAL A 47 -13.714 15.752 5.599 1.00 13.41 C ATOM 596 C VAL A 47 -15.123 15.185 5.733 1.00 23.52 C ATOM 597 O VAL A 47 -16.002 15.476 4.922 1.00 42.10 O ATOM 598 CB VAL A 47 -13.701 17.196 6.136 1.00 55.25 C ATOM 599 CG1 VAL A 47 -14.721 18.050 5.396 1.00 25.22 C ATOM 600 CG2 VAL A 47 -13.968 17.210 7.633 1.00 13.11 C ATOM 0 H VAL A 47 -13.345 16.573 3.706 1.00 41.11 H new ATOM 0 HA VAL A 47 -13.024 15.147 6.187 1.00 13.41 H new ATOM 0 HB VAL A 47 -12.712 17.621 5.963 1.00 55.25 H new ATOM 0 HG11 VAL A 47 -14.698 19.067 5.789 1.00 25.22 H new ATOM 0 HG12 VAL A 47 -14.480 18.066 4.333 1.00 25.22 H new ATOM 0 HG13 VAL A 47 -15.717 17.630 5.536 1.00 25.22 H new ATOM 0 HG21 VAL A 47 -13.955 18.238 7.995 1.00 13.11 H new ATOM 0 HG22 VAL A 47 -14.944 16.767 7.833 1.00 13.11 H new ATOM 0 HG23 VAL A 47 -13.197 16.635 8.146 1.00 13.11 H new ATOM 610 N LYS A 48 -15.331 14.372 6.763 1.00 33.24 N ATOM 611 CA LYS A 48 -16.634 13.763 7.007 1.00 63.01 C ATOM 612 C LYS A 48 -17.328 14.420 8.196 1.00 63.13 C ATOM 613 O LYS A 48 -18.487 14.825 8.105 1.00 11.33 O ATOM 614 CB LYS A 48 -16.479 12.262 7.259 1.00 24.52 C ATOM 615 CG LYS A 48 -17.487 11.411 6.506 1.00 23.11 C ATOM 616 CD LYS A 48 -18.708 11.107 7.358 1.00 5.53 C ATOM 617 CE LYS A 48 -19.246 9.711 7.084 1.00 5.54 C ATOM 618 NZ LYS A 48 -20.513 9.749 6.303 1.00 20.15 N ATOM 0 H LYS A 48 -14.614 14.119 7.443 1.00 33.24 H new ATOM 0 HA LYS A 48 -17.250 13.915 6.120 1.00 63.01 H new ATOM 0 HB2 LYS A 48 -15.473 11.956 6.973 1.00 24.52 H new ATOM 0 HB3 LYS A 48 -16.579 12.069 8.327 1.00 24.52 H new ATOM 0 HG2 LYS A 48 -17.796 11.929 5.598 1.00 23.11 H new ATOM 0 HG3 LYS A 48 -17.017 10.478 6.196 1.00 23.11 H new ATOM 0 HD2 LYS A 48 -18.448 11.197 8.413 1.00 5.53 H new ATOM 0 HD3 LYS A 48 -19.486 11.844 7.157 1.00 5.53 H new ATOM 0 HE2 LYS A 48 -18.499 9.135 6.537 1.00 5.54 H new ATOM 0 HE3 LYS A 48 -19.417 9.196 8.029 1.00 5.54 H new ATOM 0 HZ1 LYS A 48 -20.848 8.778 6.137 1.00 20.15 H new ATOM 0 HZ2 LYS A 48 -21.233 10.277 6.836 1.00 20.15 H new ATOM 0 HZ3 LYS A 48 -20.344 10.218 5.390 1.00 20.15 H new ATOM 632 N THR A 49 -16.611 14.524 9.311 1.00 62.25 N ATOM 633 CA THR A 49 -17.158 15.132 10.517 1.00 64.21 C ATOM 634 C THR A 49 -16.047 15.561 11.469 1.00 65.45 C ATOM 635 O THR A 49 -15.422 14.726 12.124 1.00 44.22 O ATOM 636 CB THR A 49 -18.104 14.166 11.254 1.00 74.45 C ATOM 637 OG1 THR A 49 -19.123 13.702 10.360 1.00 14.45 O ATOM 638 CG2 THR A 49 -18.746 14.846 12.454 1.00 44.05 C ATOM 0 H THR A 49 -15.650 14.195 9.403 1.00 62.25 H new ATOM 0 HA THR A 49 -17.721 16.010 10.200 1.00 64.21 H new ATOM 0 HB THR A 49 -17.518 13.318 11.609 1.00 74.45 H new ATOM 0 HG1 THR A 49 -19.206 14.324 9.607 1.00 14.45 H new ATOM 0 HG21 THR A 49 -19.410 14.144 12.958 1.00 44.05 H new ATOM 0 HG22 THR A 49 -17.969 15.172 13.146 1.00 44.05 H new ATOM 0 HG23 THR A 49 -19.319 15.710 12.119 1.00 44.05 H new ATOM 646 N ILE A 50 -15.806 16.865 11.540 1.00 11.42 N ATOM 647 CA ILE A 50 -14.771 17.404 12.414 1.00 51.12 C ATOM 648 C ILE A 50 -15.358 17.860 13.745 1.00 31.24 C ATOM 649 O ILE A 50 -16.499 18.316 13.809 1.00 30.44 O ATOM 650 CB ILE A 50 -14.040 18.589 11.756 1.00 65.12 C ATOM 651 CG1 ILE A 50 -12.819 18.988 12.587 1.00 24.12 C ATOM 652 CG2 ILE A 50 -14.984 19.770 11.592 1.00 75.21 C ATOM 653 CD1 ILE A 50 -11.912 19.979 11.892 1.00 65.43 C ATOM 0 H ILE A 50 -16.313 17.568 11.003 1.00 11.42 H new ATOM 0 HA ILE A 50 -14.057 16.600 12.591 1.00 51.12 H new ATOM 0 HB ILE A 50 -13.699 18.282 10.767 1.00 65.12 H new ATOM 0 HG12 ILE A 50 -13.156 19.417 13.531 1.00 24.12 H new ATOM 0 HG13 ILE A 50 -12.247 18.093 12.830 1.00 24.12 H new ATOM 0 HG21 ILE A 50 -14.452 20.599 11.126 1.00 75.21 H new ATOM 0 HG22 ILE A 50 -15.825 19.479 10.963 1.00 75.21 H new ATOM 0 HG23 ILE A 50 -15.353 20.080 12.570 1.00 75.21 H new ATOM 0 HD11 ILE A 50 -11.068 20.216 12.540 1.00 65.43 H new ATOM 0 HD12 ILE A 50 -11.545 19.546 10.962 1.00 65.43 H new ATOM 0 HD13 ILE A 50 -12.469 20.890 11.673 1.00 65.43 H new ATOM 665 N GLY A 51 -14.568 17.735 14.808 1.00 75.20 N ATOM 666 CA GLY A 51 -15.026 18.140 16.124 1.00 34.32 C ATOM 667 C GLY A 51 -14.346 19.403 16.612 1.00 43.45 C ATOM 668 O GLY A 51 -13.503 19.969 15.916 1.00 52.31 O ATOM 0 H GLY A 51 -13.620 17.361 14.781 1.00 75.20 H new ATOM 0 HA2 GLY A 51 -16.104 18.299 16.097 1.00 34.32 H new ATOM 0 HA3 GLY A 51 -14.840 17.334 16.834 1.00 34.32 H new ATOM 672 N GLU A 52 -14.713 19.847 17.810 1.00 51.45 N ATOM 673 CA GLU A 52 -14.133 21.054 18.387 1.00 0.11 C ATOM 674 C GLU A 52 -14.744 21.351 19.754 1.00 65.13 C ATOM 675 O GLU A 52 -15.515 22.298 19.908 1.00 30.23 O ATOM 676 CB GLU A 52 -14.345 22.246 17.452 1.00 43.51 C ATOM 677 CG GLU A 52 -15.762 22.354 16.914 1.00 1.34 C ATOM 678 CD GLU A 52 -16.008 23.655 16.174 1.00 23.32 C ATOM 679 OE1 GLU A 52 -16.355 24.657 16.833 1.00 30.22 O ATOM 680 OE2 GLU A 52 -15.852 23.670 14.935 1.00 31.20 O ATOM 0 H GLU A 52 -15.409 19.389 18.399 1.00 51.45 H new ATOM 0 HA GLU A 52 -13.063 20.887 18.514 1.00 0.11 H new ATOM 0 HB2 GLU A 52 -14.097 23.164 17.985 1.00 43.51 H new ATOM 0 HB3 GLU A 52 -13.652 22.167 16.614 1.00 43.51 H new ATOM 0 HG2 GLU A 52 -15.957 21.517 16.244 1.00 1.34 H new ATOM 0 HG3 GLU A 52 -16.468 22.272 17.741 1.00 1.34 H new ATOM 687 N ARG A 53 -14.393 20.534 20.742 1.00 43.41 N ATOM 688 CA ARG A 53 -14.907 20.708 22.095 1.00 21.41 C ATOM 689 C ARG A 53 -16.430 20.795 22.091 1.00 73.32 C ATOM 690 O ARG A 53 -17.024 21.507 22.899 1.00 2.14 O ATOM 691 CB ARG A 53 -14.315 21.967 22.731 1.00 32.21 C ATOM 692 CG ARG A 53 -12.818 22.113 22.514 1.00 21.20 C ATOM 693 CD ARG A 53 -12.042 21.021 23.233 1.00 23.32 C ATOM 694 NE ARG A 53 -10.672 21.429 23.533 1.00 41.34 N ATOM 695 CZ ARG A 53 -10.348 22.233 24.539 1.00 13.52 C ATOM 696 NH1 ARG A 53 -11.291 22.712 25.339 1.00 12.21 N ATOM 697 NH2 ARG A 53 -9.079 22.560 24.748 1.00 72.23 N ATOM 0 H ARG A 53 -13.755 19.746 20.631 1.00 43.41 H new ATOM 0 HA ARG A 53 -14.611 19.839 22.683 1.00 21.41 H new ATOM 0 HB2 ARG A 53 -14.820 22.842 22.322 1.00 32.21 H new ATOM 0 HB3 ARG A 53 -14.519 21.953 23.802 1.00 32.21 H new ATOM 0 HG2 ARG A 53 -12.598 22.075 21.447 1.00 21.20 H new ATOM 0 HG3 ARG A 53 -12.491 23.089 22.872 1.00 21.20 H new ATOM 0 HD2 ARG A 53 -12.554 20.763 24.160 1.00 23.32 H new ATOM 0 HD3 ARG A 53 -12.026 20.122 22.617 1.00 23.32 H new ATOM 0 HE ARG A 53 -9.923 21.077 22.937 1.00 41.34 H new ATOM 0 HH11 ARG A 53 -12.268 22.463 25.182 1.00 12.21 H new ATOM 0 HH12 ARG A 53 -11.040 23.329 26.111 1.00 12.21 H new ATOM 0 HH21 ARG A 53 -8.350 22.194 24.135 1.00 72.23 H new ATOM 0 HH22 ARG A 53 -8.832 23.178 25.521 1.00 72.23 H new ATOM 711 N GLY A 54 -17.057 20.065 21.173 1.00 33.53 N ATOM 712 CA GLY A 54 -18.506 20.074 21.080 1.00 25.05 C ATOM 713 C GLY A 54 -19.060 18.775 20.528 1.00 5.55 C ATOM 714 O GLY A 54 -20.090 18.286 20.991 1.00 41.34 O ATOM 0 H GLY A 54 -16.588 19.468 20.492 1.00 33.53 H new ATOM 0 HA2 GLY A 54 -18.929 20.255 22.068 1.00 25.05 H new ATOM 0 HA3 GLY A 54 -18.821 20.900 20.442 1.00 25.05 H new ATOM 718 N ALA A 55 -18.375 18.217 19.536 1.00 72.52 N ATOM 719 CA ALA A 55 -18.805 16.967 18.920 1.00 21.04 C ATOM 720 C ALA A 55 -18.957 15.865 19.964 1.00 51.24 C ATOM 721 O ALA A 55 -17.969 15.353 20.488 1.00 41.13 O ATOM 722 CB ALA A 55 -17.819 16.543 17.842 1.00 5.13 C ATOM 0 H ALA A 55 -17.520 18.610 19.141 1.00 72.52 H new ATOM 0 HA ALA A 55 -19.779 17.133 18.460 1.00 21.04 H new ATOM 0 HB1 ALA A 55 -18.153 15.609 17.391 1.00 5.13 H new ATOM 0 HB2 ALA A 55 -17.763 17.316 17.076 1.00 5.13 H new ATOM 0 HB3 ALA A 55 -16.834 16.400 18.286 1.00 5.13 H new ATOM 728 N ASN A 56 -20.202 15.506 20.261 1.00 63.22 N ATOM 729 CA ASN A 56 -20.483 14.465 21.243 1.00 2.10 C ATOM 730 C ASN A 56 -20.114 13.089 20.698 1.00 23.30 C ATOM 731 O ASN A 56 -19.951 12.910 19.491 1.00 50.33 O ATOM 732 CB ASN A 56 -21.961 14.491 21.635 1.00 35.12 C ATOM 733 CG ASN A 56 -22.227 15.387 22.830 1.00 72.52 C ATOM 734 OD1 ASN A 56 -23.004 16.338 22.746 1.00 44.22 O ATOM 735 ND2 ASN A 56 -21.581 15.085 23.950 1.00 14.04 N ATOM 0 H ASN A 56 -21.032 15.920 19.836 1.00 63.22 H new ATOM 0 HA ASN A 56 -19.876 14.661 22.127 1.00 2.10 H new ATOM 0 HB2 ASN A 56 -22.553 14.836 20.787 1.00 35.12 H new ATOM 0 HB3 ASN A 56 -22.291 13.478 21.863 1.00 35.12 H new ATOM 0 HD21 ASN A 56 -21.720 15.651 24.787 1.00 14.04 H new ATOM 0 HD22 ASN A 56 -20.946 14.287 23.973 1.00 14.04 H new ATOM 742 N PHE A 57 -19.984 12.118 21.596 1.00 3.03 N ATOM 743 CA PHE A 57 -19.634 10.757 21.206 1.00 4.22 C ATOM 744 C PHE A 57 -20.744 10.129 20.369 1.00 64.14 C ATOM 745 O PHE A 57 -20.478 9.387 19.423 1.00 21.41 O ATOM 746 CB PHE A 57 -19.368 9.901 22.446 1.00 30.02 C ATOM 747 CG PHE A 57 -20.570 9.739 23.332 1.00 54.13 C ATOM 748 CD1 PHE A 57 -20.833 10.653 24.340 1.00 61.33 C ATOM 749 CD2 PHE A 57 -21.438 8.673 23.156 1.00 22.03 C ATOM 750 CE1 PHE A 57 -21.939 10.507 25.156 1.00 23.01 C ATOM 751 CE2 PHE A 57 -22.545 8.522 23.969 1.00 13.33 C ATOM 752 CZ PHE A 57 -22.795 9.440 24.971 1.00 34.32 C ATOM 0 H PHE A 57 -20.116 12.248 22.599 1.00 3.03 H new ATOM 0 HA PHE A 57 -18.728 10.800 20.602 1.00 4.22 H new ATOM 0 HB2 PHE A 57 -19.024 8.916 22.131 1.00 30.02 H new ATOM 0 HB3 PHE A 57 -18.560 10.352 23.022 1.00 30.02 H new ATOM 0 HD1 PHE A 57 -20.166 11.489 24.490 1.00 61.33 H new ATOM 0 HD2 PHE A 57 -21.247 7.952 22.375 1.00 22.03 H new ATOM 0 HE1 PHE A 57 -22.133 11.227 25.937 1.00 23.01 H new ATOM 0 HE2 PHE A 57 -23.214 7.687 23.821 1.00 13.33 H new ATOM 0 HZ PHE A 57 -23.659 9.323 25.609 1.00 34.32 H new ATOM 762 N ASP A 58 -21.987 10.432 20.723 1.00 34.44 N ATOM 763 CA ASP A 58 -23.139 9.898 20.005 1.00 22.41 C ATOM 764 C ASP A 58 -23.126 10.346 18.547 1.00 5.21 C ATOM 765 O ASP A 58 -23.332 9.542 17.639 1.00 24.41 O ATOM 766 CB ASP A 58 -24.438 10.344 20.677 1.00 11.12 C ATOM 767 CG ASP A 58 -25.669 9.856 19.939 1.00 11.12 C ATOM 768 OD1 ASP A 58 -25.792 8.630 19.738 1.00 54.01 O ATOM 769 OD2 ASP A 58 -26.509 10.700 19.562 1.00 1.31 O ATOM 0 H ASP A 58 -22.224 11.045 21.503 1.00 34.44 H new ATOM 0 HA ASP A 58 -23.080 8.810 20.033 1.00 22.41 H new ATOM 0 HB2 ASP A 58 -24.460 9.971 21.701 1.00 11.12 H new ATOM 0 HB3 ASP A 58 -24.459 11.432 20.733 1.00 11.12 H new ATOM 774 N GLN A 59 -22.883 11.635 18.332 1.00 1.21 N ATOM 775 CA GLN A 59 -22.845 12.190 16.984 1.00 1.33 C ATOM 776 C GLN A 59 -21.619 11.693 16.225 1.00 11.22 C ATOM 777 O GLN A 59 -21.654 11.536 15.005 1.00 63.25 O ATOM 778 CB GLN A 59 -22.840 13.719 17.040 1.00 61.04 C ATOM 779 CG GLN A 59 -24.026 14.305 17.789 1.00 60.42 C ATOM 780 CD GLN A 59 -24.326 15.734 17.381 1.00 21.42 C ATOM 781 OE1 GLN A 59 -23.688 16.282 16.482 1.00 23.11 O ATOM 782 NE2 GLN A 59 -25.302 16.346 18.042 1.00 23.50 N ATOM 0 H GLN A 59 -22.710 12.314 19.073 1.00 1.21 H new ATOM 0 HA GLN A 59 -23.737 11.855 16.455 1.00 1.33 H new ATOM 0 HB2 GLN A 59 -21.919 14.054 17.517 1.00 61.04 H new ATOM 0 HB3 GLN A 59 -22.833 14.111 16.023 1.00 61.04 H new ATOM 0 HG2 GLN A 59 -24.906 13.687 17.609 1.00 60.42 H new ATOM 0 HG3 GLN A 59 -23.827 14.271 18.860 1.00 60.42 H new ATOM 0 HE21 GLN A 59 -25.805 15.854 18.780 1.00 23.50 H new ATOM 0 HE22 GLN A 59 -25.549 17.308 17.811 1.00 23.50 H new ATOM 791 N PHE A 60 -20.536 11.448 16.955 1.00 33.24 N ATOM 792 CA PHE A 60 -19.299 10.970 16.351 1.00 64.43 C ATOM 793 C PHE A 60 -19.481 9.570 15.772 1.00 74.41 C ATOM 794 O PHE A 60 -19.073 9.295 14.643 1.00 2.02 O ATOM 795 CB PHE A 60 -18.170 10.963 17.384 1.00 13.12 C ATOM 796 CG PHE A 60 -16.935 10.246 16.919 1.00 51.52 C ATOM 797 CD1 PHE A 60 -16.436 10.456 15.644 1.00 64.05 C ATOM 798 CD2 PHE A 60 -16.274 9.363 17.756 1.00 22.25 C ATOM 799 CE1 PHE A 60 -15.299 9.798 15.212 1.00 1.42 C ATOM 800 CE2 PHE A 60 -15.137 8.703 17.331 1.00 64.32 C ATOM 801 CZ PHE A 60 -14.649 8.920 16.057 1.00 72.22 C ATOM 0 H PHE A 60 -20.491 11.573 17.966 1.00 33.24 H new ATOM 0 HA PHE A 60 -19.036 11.649 15.540 1.00 64.43 H new ATOM 0 HB2 PHE A 60 -17.911 11.992 17.634 1.00 13.12 H new ATOM 0 HB3 PHE A 60 -18.529 10.494 18.300 1.00 13.12 H new ATOM 0 HD1 PHE A 60 -16.941 11.142 14.980 1.00 64.05 H new ATOM 0 HD2 PHE A 60 -16.652 9.188 18.753 1.00 22.25 H new ATOM 0 HE1 PHE A 60 -14.920 9.970 14.216 1.00 1.42 H new ATOM 0 HE2 PHE A 60 -14.630 8.018 17.994 1.00 64.32 H new ATOM 0 HZ PHE A 60 -13.761 8.404 15.722 1.00 72.22 H new ATOM 811 N ILE A 61 -20.097 8.689 16.553 1.00 32.22 N ATOM 812 CA ILE A 61 -20.335 7.318 16.119 1.00 63.13 C ATOM 813 C ILE A 61 -21.405 7.263 15.034 1.00 33.53 C ATOM 814 O ILE A 61 -21.254 6.560 14.035 1.00 12.42 O ATOM 815 CB ILE A 61 -20.764 6.421 17.295 1.00 54.12 C ATOM 816 CG1 ILE A 61 -19.690 6.422 18.384 1.00 22.50 C ATOM 817 CG2 ILE A 61 -21.034 5.005 16.810 1.00 60.43 C ATOM 818 CD1 ILE A 61 -18.376 5.819 17.937 1.00 12.02 C ATOM 0 H ILE A 61 -20.440 8.900 17.490 1.00 32.22 H new ATOM 0 HA ILE A 61 -19.393 6.947 15.716 1.00 63.13 H new ATOM 0 HB ILE A 61 -21.685 6.820 17.720 1.00 54.12 H new ATOM 0 HG12 ILE A 61 -19.517 7.447 18.712 1.00 22.50 H new ATOM 0 HG13 ILE A 61 -20.059 5.869 19.248 1.00 22.50 H new ATOM 0 HG21 ILE A 61 -21.336 4.383 17.653 1.00 60.43 H new ATOM 0 HG22 ILE A 61 -21.831 5.021 16.067 1.00 60.43 H new ATOM 0 HG23 ILE A 61 -20.129 4.595 16.363 1.00 60.43 H new ATOM 0 HD11 ILE A 61 -17.662 5.853 18.760 1.00 12.02 H new ATOM 0 HD12 ILE A 61 -18.534 4.783 17.637 1.00 12.02 H new ATOM 0 HD13 ILE A 61 -17.984 6.386 17.092 1.00 12.02 H new ATOM 830 N GLU A 62 -22.486 8.009 15.238 1.00 0.44 N ATOM 831 CA GLU A 62 -23.581 8.046 14.277 1.00 75.43 C ATOM 832 C GLU A 62 -23.094 8.532 12.915 1.00 52.20 C ATOM 833 O GLU A 62 -23.500 8.011 11.876 1.00 4.24 O ATOM 834 CB GLU A 62 -24.704 8.953 14.783 1.00 13.41 C ATOM 835 CG GLU A 62 -25.991 8.833 13.984 1.00 11.41 C ATOM 836 CD GLU A 62 -26.716 7.526 14.238 1.00 0.05 C ATOM 837 OE1 GLU A 62 -26.540 6.952 15.333 1.00 4.55 O ATOM 838 OE2 GLU A 62 -27.460 7.077 13.342 1.00 72.23 O ATOM 0 H GLU A 62 -22.627 8.596 16.060 1.00 0.44 H new ATOM 0 HA GLU A 62 -23.966 7.032 14.165 1.00 75.43 H new ATOM 0 HB2 GLU A 62 -24.910 8.714 15.826 1.00 13.41 H new ATOM 0 HB3 GLU A 62 -24.364 9.988 14.755 1.00 13.41 H new ATOM 0 HG2 GLU A 62 -26.649 9.664 14.236 1.00 11.41 H new ATOM 0 HG3 GLU A 62 -25.764 8.917 12.921 1.00 11.41 H new ATOM 845 N ALA A 63 -22.222 9.535 12.929 1.00 71.11 N ATOM 846 CA ALA A 63 -21.678 10.091 11.696 1.00 11.44 C ATOM 847 C ALA A 63 -20.703 9.121 11.039 1.00 21.43 C ATOM 848 O ALA A 63 -20.841 8.789 9.861 1.00 12.54 O ATOM 849 CB ALA A 63 -20.995 11.422 11.975 1.00 65.13 C ATOM 0 H ALA A 63 -21.877 9.979 13.780 1.00 71.11 H new ATOM 0 HA ALA A 63 -22.505 10.256 11.005 1.00 11.44 H new ATOM 0 HB1 ALA A 63 -20.593 11.826 11.046 1.00 65.13 H new ATOM 0 HB2 ALA A 63 -21.719 12.122 12.392 1.00 65.13 H new ATOM 0 HB3 ALA A 63 -20.183 11.272 12.687 1.00 65.13 H new ATOM 855 N ILE A 64 -19.717 8.669 11.807 1.00 33.24 N ATOM 856 CA ILE A 64 -18.720 7.736 11.299 1.00 64.30 C ATOM 857 C ILE A 64 -19.335 6.367 11.026 1.00 12.51 C ATOM 858 O ILE A 64 -20.254 5.938 11.724 1.00 12.50 O ATOM 859 CB ILE A 64 -17.548 7.572 12.285 1.00 31.41 C ATOM 860 CG1 ILE A 64 -16.389 6.830 11.615 1.00 11.43 C ATOM 861 CG2 ILE A 64 -18.006 6.832 13.533 1.00 10.13 C ATOM 862 CD1 ILE A 64 -15.168 6.694 12.498 1.00 35.22 C ATOM 0 H ILE A 64 -19.588 8.934 12.783 1.00 33.24 H new ATOM 0 HA ILE A 64 -18.344 8.155 10.366 1.00 64.30 H new ATOM 0 HB ILE A 64 -17.199 8.562 12.580 1.00 31.41 H new ATOM 0 HG12 ILE A 64 -16.726 5.836 11.320 1.00 11.43 H new ATOM 0 HG13 ILE A 64 -16.110 7.356 10.702 1.00 11.43 H new ATOM 0 HG21 ILE A 64 -17.167 6.724 14.220 1.00 10.13 H new ATOM 0 HG22 ILE A 64 -18.802 7.396 14.019 1.00 10.13 H new ATOM 0 HG23 ILE A 64 -18.377 5.845 13.255 1.00 10.13 H new ATOM 0 HD11 ILE A 64 -14.387 6.158 11.959 1.00 35.22 H new ATOM 0 HD12 ILE A 64 -14.805 7.685 12.773 1.00 35.22 H new ATOM 0 HD13 ILE A 64 -15.431 6.141 13.400 1.00 35.22 H new ATOM 874 N ASP A 65 -18.821 5.686 10.008 1.00 54.31 N ATOM 875 CA ASP A 65 -19.318 4.364 9.644 1.00 53.40 C ATOM 876 C ASP A 65 -18.200 3.328 9.703 1.00 51.55 C ATOM 877 O ASP A 65 -17.212 3.423 8.974 1.00 53.14 O ATOM 878 CB ASP A 65 -19.930 4.394 8.242 1.00 10.25 C ATOM 879 CG ASP A 65 -21.174 5.258 8.172 1.00 61.11 C ATOM 880 OD1 ASP A 65 -21.056 6.485 8.373 1.00 71.43 O ATOM 881 OD2 ASP A 65 -22.266 4.707 7.917 1.00 44.12 O ATOM 0 H ASP A 65 -18.061 6.027 9.420 1.00 54.31 H new ATOM 0 HA ASP A 65 -20.088 4.082 10.362 1.00 53.40 H new ATOM 0 HB2 ASP A 65 -19.191 4.768 7.534 1.00 10.25 H new ATOM 0 HB3 ASP A 65 -20.179 3.378 7.936 1.00 10.25 H new ATOM 886 N LYS A 66 -18.361 2.340 10.576 1.00 75.15 N ATOM 887 CA LYS A 66 -17.367 1.285 10.730 1.00 3.24 C ATOM 888 C LYS A 66 -17.334 0.383 9.501 1.00 35.10 C ATOM 889 O LYS A 66 -18.059 -0.609 9.428 1.00 11.43 O ATOM 890 CB LYS A 66 -17.666 0.453 11.979 1.00 21.03 C ATOM 891 CG LYS A 66 -16.538 -0.487 12.368 1.00 31.14 C ATOM 892 CD LYS A 66 -17.027 -1.594 13.287 1.00 70.51 C ATOM 893 CE LYS A 66 -16.845 -2.965 12.653 1.00 30.22 C ATOM 894 NZ LYS A 66 -17.236 -4.062 13.582 1.00 40.23 N ATOM 0 H LYS A 66 -19.171 2.248 11.188 1.00 75.15 H new ATOM 0 HA LYS A 66 -16.390 1.755 10.839 1.00 3.24 H new ATOM 0 HB2 LYS A 66 -17.871 1.125 12.812 1.00 21.03 H new ATOM 0 HB3 LYS A 66 -18.571 -0.130 11.809 1.00 21.03 H new ATOM 0 HG2 LYS A 66 -16.102 -0.924 11.470 1.00 31.14 H new ATOM 0 HG3 LYS A 66 -15.748 0.077 12.864 1.00 31.14 H new ATOM 0 HD2 LYS A 66 -16.482 -1.553 14.230 1.00 70.51 H new ATOM 0 HD3 LYS A 66 -18.080 -1.436 13.520 1.00 70.51 H new ATOM 0 HE2 LYS A 66 -17.444 -3.028 11.745 1.00 30.22 H new ATOM 0 HE3 LYS A 66 -15.804 -3.093 12.357 1.00 30.22 H new ATOM 0 HZ1 LYS A 66 -17.003 -4.980 13.153 1.00 40.23 H new ATOM 0 HZ2 LYS A 66 -16.720 -3.958 14.479 1.00 40.23 H new ATOM 0 HZ3 LYS A 66 -18.259 -4.015 13.764 1.00 40.23 H new ATOM 908 N ASN A 67 -16.488 0.733 8.538 1.00 74.14 N ATOM 909 CA ASN A 67 -16.361 -0.047 7.312 1.00 54.55 C ATOM 910 C ASN A 67 -15.313 0.562 6.386 1.00 44.40 C ATOM 911 O ASN A 67 -14.209 0.035 6.248 1.00 21.42 O ATOM 912 CB ASN A 67 -17.709 -0.126 6.591 1.00 20.02 C ATOM 913 CG ASN A 67 -17.581 -0.682 5.186 1.00 55.20 C ATOM 914 OD1 ASN A 67 -17.183 -1.831 4.995 1.00 45.33 O ATOM 915 ND2 ASN A 67 -17.921 0.134 4.194 1.00 24.33 N ATOM 0 H ASN A 67 -15.880 1.551 8.583 1.00 74.14 H new ATOM 0 HA ASN A 67 -16.041 -1.053 7.583 1.00 54.55 H new ATOM 0 HB2 ASN A 67 -18.390 -0.753 7.167 1.00 20.02 H new ATOM 0 HB3 ASN A 67 -18.153 0.868 6.546 1.00 20.02 H new ATOM 0 HD21 ASN A 67 -17.857 -0.184 3.227 1.00 24.33 H new ATOM 0 HD22 ASN A 67 -18.246 1.079 4.399 1.00 24.33 H new ATOM 922 N VAL A 68 -15.665 1.677 5.754 1.00 41.34 N ATOM 923 CA VAL A 68 -14.754 2.360 4.842 1.00 31.14 C ATOM 924 C VAL A 68 -13.476 2.783 5.557 1.00 22.45 C ATOM 925 O VAL A 68 -13.448 2.969 6.774 1.00 12.41 O ATOM 926 CB VAL A 68 -15.414 3.603 4.216 1.00 62.31 C ATOM 927 CG1 VAL A 68 -16.438 3.193 3.168 1.00 1.04 C ATOM 928 CG2 VAL A 68 -16.056 4.464 5.293 1.00 42.54 C ATOM 0 H VAL A 68 -16.575 2.127 5.857 1.00 41.34 H new ATOM 0 HA VAL A 68 -14.507 1.651 4.051 1.00 31.14 H new ATOM 0 HB VAL A 68 -14.642 4.194 3.723 1.00 62.31 H new ATOM 0 HG11 VAL A 68 -16.894 4.084 2.737 1.00 1.04 H new ATOM 0 HG12 VAL A 68 -15.945 2.621 2.382 1.00 1.04 H new ATOM 0 HG13 VAL A 68 -17.210 2.580 3.634 1.00 1.04 H new ATOM 0 HG21 VAL A 68 -16.518 5.338 4.833 1.00 42.54 H new ATOM 0 HG22 VAL A 68 -16.817 3.885 5.816 1.00 42.54 H new ATOM 0 HG23 VAL A 68 -15.294 4.787 6.003 1.00 42.54 H new ATOM 938 N PRO A 69 -12.390 2.938 4.786 1.00 41.24 N ATOM 939 CA PRO A 69 -11.087 3.342 5.324 1.00 75.03 C ATOM 940 C PRO A 69 -11.080 4.792 5.797 1.00 63.35 C ATOM 941 O PRO A 69 -10.723 5.698 5.043 1.00 52.31 O ATOM 942 CB PRO A 69 -10.141 3.162 4.134 1.00 11.41 C ATOM 943 CG PRO A 69 -11.013 3.295 2.933 1.00 3.23 C ATOM 944 CD PRO A 69 -12.350 2.733 3.328 1.00 31.51 C ATOM 0 HA PRO A 69 -10.808 2.756 6.200 1.00 75.03 H new ATOM 0 HB2 PRO A 69 -9.354 3.916 4.137 1.00 11.41 H new ATOM 0 HB3 PRO A 69 -9.651 2.189 4.162 1.00 11.41 H new ATOM 0 HG2 PRO A 69 -11.102 4.338 2.629 1.00 3.23 H new ATOM 0 HG3 PRO A 69 -10.596 2.751 2.086 1.00 3.23 H new ATOM 0 HD2 PRO A 69 -13.168 3.251 2.827 1.00 31.51 H new ATOM 0 HD3 PRO A 69 -12.435 1.678 3.068 1.00 31.51 H new ATOM 952 N CYS A 70 -11.474 5.003 7.047 1.00 12.21 N ATOM 953 CA CYS A 70 -11.513 6.344 7.620 1.00 22.03 C ATOM 954 C CYS A 70 -10.426 6.515 8.676 1.00 3.42 C ATOM 955 O CYS A 70 -9.956 5.540 9.262 1.00 30.24 O ATOM 956 CB CYS A 70 -12.886 6.619 8.235 1.00 21.11 C ATOM 957 SG CYS A 70 -13.209 5.702 9.760 1.00 50.13 S ATOM 0 H CYS A 70 -11.771 4.263 7.684 1.00 12.21 H new ATOM 0 HA CYS A 70 -11.332 7.060 6.819 1.00 22.03 H new ATOM 0 HB2 CYS A 70 -12.973 7.686 8.440 1.00 21.11 H new ATOM 0 HB3 CYS A 70 -13.656 6.371 7.504 1.00 21.11 H new ATOM 0 HG CYS A 70 -14.484 5.474 9.867 1.00 50.13 H new ATOM 963 N TYR A 71 -10.029 7.761 8.913 1.00 73.14 N ATOM 964 CA TYR A 71 -8.994 8.060 9.895 1.00 52.11 C ATOM 965 C TYR A 71 -9.462 9.139 10.867 1.00 24.35 C ATOM 966 O TYR A 71 -9.954 10.189 10.457 1.00 0.20 O ATOM 967 CB TYR A 71 -7.711 8.511 9.194 1.00 35.11 C ATOM 968 CG TYR A 71 -7.208 7.528 8.162 1.00 71.34 C ATOM 969 CD1 TYR A 71 -7.677 7.561 6.854 1.00 15.24 C ATOM 970 CD2 TYR A 71 -6.262 6.566 8.493 1.00 21.44 C ATOM 971 CE1 TYR A 71 -7.221 6.664 5.908 1.00 2.33 C ATOM 972 CE2 TYR A 71 -5.798 5.666 7.553 1.00 34.43 C ATOM 973 CZ TYR A 71 -6.281 5.719 6.262 1.00 32.44 C ATOM 974 OH TYR A 71 -5.823 4.824 5.322 1.00 3.34 O ATOM 0 H TYR A 71 -10.409 8.580 8.438 1.00 73.14 H new ATOM 0 HA TYR A 71 -8.791 7.150 10.460 1.00 52.11 H new ATOM 0 HB2 TYR A 71 -7.889 9.472 8.712 1.00 35.11 H new ATOM 0 HB3 TYR A 71 -6.934 8.669 9.942 1.00 35.11 H new ATOM 0 HD1 TYR A 71 -8.411 8.301 6.572 1.00 15.24 H new ATOM 0 HD2 TYR A 71 -5.883 6.521 9.503 1.00 21.44 H new ATOM 0 HE1 TYR A 71 -7.598 6.702 4.897 1.00 2.33 H new ATOM 0 HE2 TYR A 71 -5.061 4.925 7.827 1.00 34.43 H new ATOM 0 HH TYR A 71 -5.032 4.362 5.669 1.00 3.34 H new ATOM 984 N ALA A 72 -9.303 8.870 12.159 1.00 3.34 N ATOM 985 CA ALA A 72 -9.705 9.818 13.192 1.00 72.45 C ATOM 986 C ALA A 72 -8.501 10.303 13.991 1.00 22.21 C ATOM 987 O ALA A 72 -7.733 9.501 14.522 1.00 44.31 O ATOM 988 CB ALA A 72 -10.735 9.185 14.116 1.00 23.10 C ATOM 0 H ALA A 72 -8.899 8.004 12.515 1.00 3.34 H new ATOM 0 HA ALA A 72 -10.154 10.682 12.703 1.00 72.45 H new ATOM 0 HB1 ALA A 72 -11.026 9.903 14.882 1.00 23.10 H new ATOM 0 HB2 ALA A 72 -11.612 8.895 13.538 1.00 23.10 H new ATOM 0 HB3 ALA A 72 -10.305 8.303 14.590 1.00 23.10 H new ATOM 994 N ALA A 73 -8.342 11.620 14.072 1.00 21.22 N ATOM 995 CA ALA A 73 -7.232 12.211 14.808 1.00 5.42 C ATOM 996 C ALA A 73 -7.708 12.826 16.120 1.00 23.42 C ATOM 997 O ALA A 73 -8.733 13.506 16.163 1.00 72.41 O ATOM 998 CB ALA A 73 -6.532 13.260 13.956 1.00 72.33 C ATOM 0 H ALA A 73 -8.968 12.298 13.637 1.00 21.22 H new ATOM 0 HA ALA A 73 -6.523 11.418 15.044 1.00 5.42 H new ATOM 0 HB1 ALA A 73 -5.705 13.693 14.519 1.00 72.33 H new ATOM 0 HB2 ALA A 73 -6.149 12.795 13.048 1.00 72.33 H new ATOM 0 HB3 ALA A 73 -7.240 14.045 13.690 1.00 72.33 H new ATOM 1004 N PHE A 74 -6.957 12.581 17.189 1.00 13.14 N ATOM 1005 CA PHE A 74 -7.304 13.109 18.504 1.00 51.03 C ATOM 1006 C PHE A 74 -6.066 13.638 19.222 1.00 63.25 C ATOM 1007 O PHE A 74 -5.062 12.936 19.349 1.00 10.31 O ATOM 1008 CB PHE A 74 -7.975 12.026 19.351 1.00 20.10 C ATOM 1009 CG PHE A 74 -8.249 12.454 20.764 1.00 5.24 C ATOM 1010 CD1 PHE A 74 -8.812 13.692 21.031 1.00 64.23 C ATOM 1011 CD2 PHE A 74 -7.942 11.619 21.827 1.00 50.21 C ATOM 1012 CE1 PHE A 74 -9.065 14.089 22.330 1.00 20.12 C ATOM 1013 CE2 PHE A 74 -8.194 12.011 23.128 1.00 25.33 C ATOM 1014 CZ PHE A 74 -8.754 13.247 23.380 1.00 15.54 C ATOM 0 H PHE A 74 -6.105 12.021 17.171 1.00 13.14 H new ATOM 0 HA PHE A 74 -8.001 13.935 18.364 1.00 51.03 H new ATOM 0 HB2 PHE A 74 -8.914 11.737 18.879 1.00 20.10 H new ATOM 0 HB3 PHE A 74 -7.339 11.141 19.365 1.00 20.10 H new ATOM 0 HD1 PHE A 74 -9.056 14.354 20.214 1.00 64.23 H new ATOM 0 HD2 PHE A 74 -7.501 10.652 21.636 1.00 50.21 H new ATOM 0 HE1 PHE A 74 -9.505 15.056 22.524 1.00 20.12 H new ATOM 0 HE2 PHE A 74 -7.953 11.350 23.947 1.00 25.33 H new ATOM 0 HZ PHE A 74 -8.949 13.555 24.397 1.00 15.54 H new ATOM 1024 N ASP A 75 -6.145 14.879 19.688 1.00 44.24 N ATOM 1025 CA ASP A 75 -5.031 15.503 20.393 1.00 12.21 C ATOM 1026 C ASP A 75 -5.200 15.367 21.903 1.00 23.41 C ATOM 1027 O ASP A 75 -6.228 15.752 22.461 1.00 65.40 O ATOM 1028 CB ASP A 75 -4.921 16.980 20.011 1.00 12.23 C ATOM 1029 CG ASP A 75 -3.594 17.587 20.423 1.00 53.23 C ATOM 1030 OD1 ASP A 75 -2.569 17.254 19.792 1.00 12.34 O ATOM 1031 OD2 ASP A 75 -3.581 18.395 21.376 1.00 62.43 O ATOM 0 H ASP A 75 -6.968 15.473 19.591 1.00 44.24 H new ATOM 0 HA ASP A 75 -4.115 14.991 20.100 1.00 12.21 H new ATOM 0 HB2 ASP A 75 -5.046 17.084 18.933 1.00 12.23 H new ATOM 0 HB3 ASP A 75 -5.733 17.535 20.481 1.00 12.23 H new ATOM 1036 N PHE A 76 -4.184 14.815 22.559 1.00 32.12 N ATOM 1037 CA PHE A 76 -4.221 14.625 24.005 1.00 45.34 C ATOM 1038 C PHE A 76 -2.869 14.958 24.631 1.00 74.31 C ATOM 1039 O PHE A 76 -1.823 14.565 24.117 1.00 24.11 O ATOM 1040 CB PHE A 76 -4.611 13.185 24.342 1.00 60.34 C ATOM 1041 CG PHE A 76 -5.433 13.064 25.593 1.00 72.43 C ATOM 1042 CD1 PHE A 76 -6.609 13.782 25.737 1.00 10.01 C ATOM 1043 CD2 PHE A 76 -5.030 12.232 26.625 1.00 62.54 C ATOM 1044 CE1 PHE A 76 -7.368 13.673 26.887 1.00 72.41 C ATOM 1045 CE2 PHE A 76 -5.785 12.118 27.777 1.00 70.35 C ATOM 1046 CZ PHE A 76 -6.955 12.840 27.908 1.00 20.04 C ATOM 0 H PHE A 76 -3.326 14.492 22.113 1.00 32.12 H new ATOM 0 HA PHE A 76 -4.970 15.302 24.417 1.00 45.34 H new ATOM 0 HB2 PHE A 76 -5.171 12.764 23.507 1.00 60.34 H new ATOM 0 HB3 PHE A 76 -3.706 12.588 24.452 1.00 60.34 H new ATOM 0 HD1 PHE A 76 -6.937 14.435 24.941 1.00 10.01 H new ATOM 0 HD2 PHE A 76 -4.115 11.666 26.528 1.00 62.54 H new ATOM 0 HE1 PHE A 76 -8.283 14.238 26.987 1.00 72.41 H new ATOM 0 HE2 PHE A 76 -5.460 11.465 28.574 1.00 70.35 H new ATOM 0 HZ PHE A 76 -7.546 12.753 28.808 1.00 20.04 H new ATOM 1056 N GLU A 77 -2.902 15.685 25.743 1.00 33.44 N ATOM 1057 CA GLU A 77 -1.680 16.071 26.439 1.00 54.20 C ATOM 1058 C GLU A 77 -1.262 14.999 27.441 1.00 14.02 C ATOM 1059 O GLU A 77 -2.105 14.320 28.028 1.00 13.22 O ATOM 1060 CB GLU A 77 -1.877 17.408 27.158 1.00 72.44 C ATOM 1061 CG GLU A 77 -3.088 17.433 28.075 1.00 72.11 C ATOM 1062 CD GLU A 77 -2.744 17.876 29.484 1.00 41.45 C ATOM 1063 OE1 GLU A 77 -2.240 17.041 30.263 1.00 44.24 O ATOM 1064 OE2 GLU A 77 -2.979 19.060 29.806 1.00 30.13 O ATOM 0 H GLU A 77 -3.761 16.018 26.181 1.00 33.44 H new ATOM 0 HA GLU A 77 -0.889 16.178 25.697 1.00 54.20 H new ATOM 0 HB2 GLU A 77 -0.985 17.632 27.742 1.00 72.44 H new ATOM 0 HB3 GLU A 77 -1.978 18.199 26.415 1.00 72.44 H new ATOM 0 HG2 GLU A 77 -3.839 18.105 27.660 1.00 72.11 H new ATOM 0 HG3 GLU A 77 -3.534 16.439 28.109 1.00 72.11 H new ATOM 1167 N ARG A 85 3.330 18.254 28.078 1.00 23.42 N ATOM 1168 CA ARG A 85 3.618 17.581 26.817 1.00 55.31 C ATOM 1169 C ARG A 85 2.338 17.357 26.016 1.00 11.35 C ATOM 1170 O ARG A 85 1.260 17.184 26.586 1.00 40.42 O ATOM 1171 CB ARG A 85 4.312 16.243 27.074 1.00 34.55 C ATOM 1172 CG ARG A 85 5.584 16.051 26.266 1.00 71.45 C ATOM 1173 CD ARG A 85 5.278 15.615 24.841 1.00 20.11 C ATOM 1174 NE ARG A 85 5.851 16.527 23.855 1.00 51.02 N ATOM 1175 CZ ARG A 85 5.924 16.254 22.557 1.00 54.43 C ATOM 1176 NH1 ARG A 85 5.462 15.102 22.091 1.00 14.20 N ATOM 1177 NH2 ARG A 85 6.459 17.136 21.721 1.00 31.45 N ATOM 0 HA ARG A 85 4.283 18.221 26.237 1.00 55.31 H new ATOM 0 HB2 ARG A 85 4.550 16.165 28.135 1.00 34.55 H new ATOM 0 HB3 ARG A 85 3.619 15.434 26.843 1.00 34.55 H new ATOM 0 HG2 ARG A 85 6.150 16.982 26.249 1.00 71.45 H new ATOM 0 HG3 ARG A 85 6.214 15.304 26.749 1.00 71.45 H new ATOM 0 HD2 ARG A 85 5.670 14.611 24.677 1.00 20.11 H new ATOM 0 HD3 ARG A 85 4.198 15.563 24.702 1.00 20.11 H new ATOM 0 HE ARG A 85 6.215 17.422 24.181 1.00 51.02 H new ATOM 0 HH11 ARG A 85 5.049 14.422 22.730 1.00 14.20 H new ATOM 0 HH12 ARG A 85 5.520 14.895 21.094 1.00 14.20 H new ATOM 0 HH21 ARG A 85 6.814 18.024 22.075 1.00 31.45 H new ATOM 0 HH22 ARG A 85 6.515 16.925 20.725 1.00 31.45 H new ATOM 1191 N ASP A 86 2.465 17.362 24.694 1.00 11.42 N ATOM 1192 CA ASP A 86 1.319 17.159 23.815 1.00 1.32 C ATOM 1193 C ASP A 86 1.606 16.064 22.793 1.00 71.02 C ATOM 1194 O ASP A 86 2.675 16.033 22.184 1.00 64.34 O ATOM 1195 CB ASP A 86 0.962 18.462 23.098 1.00 12.35 C ATOM 1196 CG ASP A 86 0.947 19.653 24.036 1.00 15.52 C ATOM 1197 OD1 ASP A 86 0.022 19.740 24.872 1.00 71.45 O ATOM 1198 OD2 ASP A 86 1.860 20.499 23.935 1.00 14.13 O ATOM 0 H ASP A 86 3.350 17.504 24.207 1.00 11.42 H new ATOM 0 HA ASP A 86 0.473 16.847 24.428 1.00 1.32 H new ATOM 0 HB2 ASP A 86 1.680 18.642 22.298 1.00 12.35 H new ATOM 0 HB3 ASP A 86 -0.017 18.359 22.630 1.00 12.35 H new ATOM 1203 N LYS A 87 0.644 15.166 22.610 1.00 21.32 N ATOM 1204 CA LYS A 87 0.792 14.068 21.662 1.00 73.01 C ATOM 1205 C LYS A 87 -0.521 13.799 20.932 1.00 24.04 C ATOM 1206 O LYS A 87 -1.585 13.738 21.550 1.00 63.12 O ATOM 1207 CB LYS A 87 1.255 12.801 22.385 1.00 54.01 C ATOM 1208 CG LYS A 87 2.616 12.304 21.930 1.00 0.32 C ATOM 1209 CD LYS A 87 2.490 11.138 20.965 1.00 60.42 C ATOM 1210 CE LYS A 87 3.278 11.383 19.688 1.00 43.45 C ATOM 1211 NZ LYS A 87 4.686 10.912 19.805 1.00 30.10 N ATOM 0 H LYS A 87 -0.247 15.177 23.106 1.00 21.32 H new ATOM 0 HA LYS A 87 1.544 14.354 20.927 1.00 73.01 H new ATOM 0 HB2 LYS A 87 1.289 12.996 23.457 1.00 54.01 H new ATOM 0 HB3 LYS A 87 0.518 12.013 22.227 1.00 54.01 H new ATOM 0 HG2 LYS A 87 3.159 13.118 21.450 1.00 0.32 H new ATOM 0 HG3 LYS A 87 3.201 11.998 22.797 1.00 0.32 H new ATOM 0 HD2 LYS A 87 2.847 10.227 21.445 1.00 60.42 H new ATOM 0 HD3 LYS A 87 1.440 10.979 20.721 1.00 60.42 H new ATOM 0 HE2 LYS A 87 2.792 10.871 18.858 1.00 43.45 H new ATOM 0 HE3 LYS A 87 3.270 12.448 19.455 1.00 43.45 H new ATOM 0 HZ1 LYS A 87 5.189 11.097 18.914 1.00 30.10 H new ATOM 0 HZ2 LYS A 87 5.158 11.419 20.581 1.00 30.10 H new ATOM 0 HZ3 LYS A 87 4.695 9.891 20.002 1.00 30.10 H new ATOM 1225 N LEU A 88 -0.438 13.638 19.616 1.00 31.44 N ATOM 1226 CA LEU A 88 -1.620 13.373 18.803 1.00 44.25 C ATOM 1227 C LEU A 88 -1.621 11.934 18.296 1.00 40.51 C ATOM 1228 O LEU A 88 -0.611 11.443 17.790 1.00 13.33 O ATOM 1229 CB LEU A 88 -1.676 14.342 17.620 1.00 11.33 C ATOM 1230 CG LEU A 88 -3.060 14.889 17.266 1.00 65.43 C ATOM 1231 CD1 LEU A 88 -2.936 16.154 16.431 1.00 60.32 C ATOM 1232 CD2 LEU A 88 -3.875 13.837 16.527 1.00 42.30 C ATOM 0 H LEU A 88 0.434 13.686 19.090 1.00 31.44 H new ATOM 0 HA LEU A 88 -2.501 13.519 19.428 1.00 44.25 H new ATOM 0 HB2 LEU A 88 -1.018 15.184 17.834 1.00 11.33 H new ATOM 0 HB3 LEU A 88 -1.272 13.837 16.743 1.00 11.33 H new ATOM 0 HG LEU A 88 -3.579 15.139 18.191 1.00 65.43 H new ATOM 0 HD11 LEU A 88 -3.930 16.529 16.189 1.00 60.32 H new ATOM 0 HD12 LEU A 88 -2.391 16.910 16.995 1.00 60.32 H new ATOM 0 HD13 LEU A 88 -2.398 15.931 15.510 1.00 60.32 H new ATOM 0 HD21 LEU A 88 -4.857 14.243 16.283 1.00 42.30 H new ATOM 0 HD22 LEU A 88 -3.360 13.556 15.608 1.00 42.30 H new ATOM 0 HD23 LEU A 88 -3.993 12.957 17.160 1.00 42.30 H new ATOM 1244 N ILE A 89 -2.761 11.266 18.433 1.00 23.50 N ATOM 1245 CA ILE A 89 -2.894 9.885 17.986 1.00 21.51 C ATOM 1246 C ILE A 89 -3.894 9.772 16.840 1.00 25.40 C ATOM 1247 O ILE A 89 -4.724 10.658 16.636 1.00 12.15 O ATOM 1248 CB ILE A 89 -3.341 8.962 19.135 1.00 20.41 C ATOM 1249 CG1 ILE A 89 -4.476 9.612 19.929 1.00 60.04 C ATOM 1250 CG2 ILE A 89 -2.165 8.643 20.046 1.00 32.24 C ATOM 1251 CD1 ILE A 89 -3.995 10.475 21.074 1.00 31.23 C ATOM 0 H ILE A 89 -3.605 11.658 18.850 1.00 23.50 H new ATOM 0 HA ILE A 89 -1.910 9.570 17.639 1.00 21.51 H new ATOM 0 HB ILE A 89 -3.709 8.029 18.709 1.00 20.41 H new ATOM 0 HG12 ILE A 89 -5.079 10.220 19.254 1.00 60.04 H new ATOM 0 HG13 ILE A 89 -5.127 8.831 20.322 1.00 60.04 H new ATOM 0 HG21 ILE A 89 -2.497 7.990 20.853 1.00 32.24 H new ATOM 0 HG22 ILE A 89 -1.385 8.143 19.472 1.00 32.24 H new ATOM 0 HG23 ILE A 89 -1.769 9.567 20.467 1.00 32.24 H new ATOM 0 HD11 ILE A 89 -4.853 10.903 21.592 1.00 31.23 H new ATOM 0 HD12 ILE A 89 -3.417 9.867 21.770 1.00 31.23 H new ATOM 0 HD13 ILE A 89 -3.368 11.278 20.686 1.00 31.23 H new ATOM 1263 N LEU A 90 -3.809 8.675 16.095 1.00 52.22 N ATOM 1264 CA LEU A 90 -4.708 8.444 14.969 1.00 1.22 C ATOM 1265 C LEU A 90 -5.224 7.009 14.970 1.00 64.32 C ATOM 1266 O LEU A 90 -4.442 6.058 14.999 1.00 64.01 O ATOM 1267 CB LEU A 90 -3.992 8.740 13.650 1.00 2.33 C ATOM 1268 CG LEU A 90 -4.830 8.582 12.381 1.00 21.32 C ATOM 1269 CD1 LEU A 90 -4.440 9.629 11.349 1.00 25.44 C ATOM 1270 CD2 LEU A 90 -4.671 7.181 11.809 1.00 61.23 C ATOM 0 H LEU A 90 -3.127 7.932 16.250 1.00 52.22 H new ATOM 0 HA LEU A 90 -5.559 9.117 15.072 1.00 1.22 H new ATOM 0 HB2 LEU A 90 -3.614 9.762 13.687 1.00 2.33 H new ATOM 0 HB3 LEU A 90 -3.126 8.082 13.574 1.00 2.33 H new ATOM 0 HG LEU A 90 -5.878 8.731 12.640 1.00 21.32 H new ATOM 0 HD11 LEU A 90 -5.047 9.500 10.453 1.00 25.44 H new ATOM 0 HD12 LEU A 90 -4.606 10.625 11.760 1.00 25.44 H new ATOM 0 HD13 LEU A 90 -3.387 9.513 11.093 1.00 25.44 H new ATOM 0 HD21 LEU A 90 -5.274 7.086 10.906 1.00 61.23 H new ATOM 0 HD22 LEU A 90 -3.623 7.004 11.566 1.00 61.23 H new ATOM 0 HD23 LEU A 90 -5.001 6.448 12.545 1.00 61.23 H new ATOM 1282 N ILE A 91 -6.544 6.860 14.935 1.00 25.35 N ATOM 1283 CA ILE A 91 -7.163 5.540 14.929 1.00 41.33 C ATOM 1284 C ILE A 91 -7.947 5.307 13.641 1.00 5.55 C ATOM 1285 O ILE A 91 -8.762 6.138 13.240 1.00 32.54 O ATOM 1286 CB ILE A 91 -8.107 5.355 16.132 1.00 43.34 C ATOM 1287 CG1 ILE A 91 -7.364 5.639 17.439 1.00 61.41 C ATOM 1288 CG2 ILE A 91 -8.686 3.948 16.139 1.00 5.32 C ATOM 1289 CD1 ILE A 91 -7.604 7.030 17.981 1.00 45.54 C ATOM 0 H ILE A 91 -7.205 7.636 14.910 1.00 25.35 H new ATOM 0 HA ILE A 91 -6.355 4.812 14.997 1.00 41.33 H new ATOM 0 HB ILE A 91 -8.930 6.064 16.043 1.00 43.34 H new ATOM 0 HG12 ILE A 91 -7.670 4.908 18.188 1.00 61.41 H new ATOM 0 HG13 ILE A 91 -6.295 5.500 17.277 1.00 61.41 H new ATOM 0 HG21 ILE A 91 -9.351 3.832 16.995 1.00 5.32 H new ATOM 0 HG22 ILE A 91 -9.246 3.780 15.219 1.00 5.32 H new ATOM 0 HG23 ILE A 91 -7.876 3.222 16.208 1.00 5.32 H new ATOM 0 HD11 ILE A 91 -7.046 7.160 18.908 1.00 45.54 H new ATOM 0 HD12 ILE A 91 -7.271 7.768 17.251 1.00 45.54 H new ATOM 0 HD13 ILE A 91 -8.668 7.166 18.175 1.00 45.54 H new ATOM 1301 N SER A 92 -7.694 4.172 12.999 1.00 74.51 N ATOM 1302 CA SER A 92 -8.375 3.830 11.755 1.00 21.53 C ATOM 1303 C SER A 92 -9.358 2.683 11.972 1.00 51.14 C ATOM 1304 O SER A 92 -9.058 1.718 12.674 1.00 0.03 O ATOM 1305 CB SER A 92 -7.356 3.447 10.680 1.00 21.54 C ATOM 1306 OG SER A 92 -7.780 3.878 9.399 1.00 41.11 O ATOM 0 H SER A 92 -7.023 3.473 13.319 1.00 74.51 H new ATOM 0 HA SER A 92 -8.932 4.705 11.422 1.00 21.53 H new ATOM 0 HB2 SER A 92 -6.389 3.892 10.916 1.00 21.54 H new ATOM 0 HB3 SER A 92 -7.216 2.366 10.676 1.00 21.54 H new ATOM 0 HG SER A 92 -8.542 4.487 9.494 1.00 41.11 H new ATOM 1312 N TRP A 93 -10.533 2.797 11.363 1.00 42.33 N ATOM 1313 CA TRP A 93 -11.561 1.771 11.488 1.00 33.21 C ATOM 1314 C TRP A 93 -11.623 0.906 10.234 1.00 54.32 C ATOM 1315 O TRP A 93 -11.962 1.388 9.153 1.00 21.25 O ATOM 1316 CB TRP A 93 -12.924 2.415 11.747 1.00 75.52 C ATOM 1317 CG TRP A 93 -13.068 2.965 13.133 1.00 21.15 C ATOM 1318 CD1 TRP A 93 -12.059 3.308 13.988 1.00 61.34 C ATOM 1319 CD2 TRP A 93 -14.292 3.234 13.826 1.00 24.14 C ATOM 1320 NE1 TRP A 93 -12.582 3.774 15.170 1.00 63.51 N ATOM 1321 CE2 TRP A 93 -13.949 3.739 15.096 1.00 50.21 C ATOM 1322 CE3 TRP A 93 -15.643 3.099 13.497 1.00 10.34 C ATOM 1323 CZ2 TRP A 93 -14.910 4.107 16.034 1.00 4.51 C ATOM 1324 CZ3 TRP A 93 -16.595 3.465 14.430 1.00 71.02 C ATOM 1325 CH2 TRP A 93 -16.225 3.965 15.685 1.00 32.14 C ATOM 0 H TRP A 93 -10.797 3.590 10.778 1.00 42.33 H new ATOM 0 HA TRP A 93 -11.302 1.133 12.333 1.00 33.21 H new ATOM 0 HB2 TRP A 93 -13.081 3.218 11.027 1.00 75.52 H new ATOM 0 HB3 TRP A 93 -13.706 1.675 11.574 1.00 75.52 H new ATOM 0 HD1 TRP A 93 -11.005 3.225 13.767 1.00 61.34 H new ATOM 0 HE1 TRP A 93 -12.040 4.094 15.973 1.00 63.51 H new ATOM 0 HE3 TRP A 93 -15.938 2.716 12.531 1.00 10.34 H new ATOM 0 HZ2 TRP A 93 -14.627 4.491 17.003 1.00 4.51 H new ATOM 0 HZ3 TRP A 93 -17.642 3.364 14.187 1.00 71.02 H new ATOM 0 HH2 TRP A 93 -16.993 4.244 16.391 1.00 32.14 H new ATOM 1336 N ASN A 94 -11.295 -0.373 10.385 1.00 43.43 N ATOM 1337 CA ASN A 94 -11.313 -1.304 9.263 1.00 72.13 C ATOM 1338 C ASN A 94 -11.309 -2.748 9.755 1.00 61.35 C ATOM 1339 O ASN A 94 -10.259 -3.348 9.986 1.00 71.53 O ATOM 1340 CB ASN A 94 -10.109 -1.061 8.351 1.00 41.52 C ATOM 1341 CG ASN A 94 -10.517 -0.760 6.922 1.00 54.43 C ATOM 1342 OD1 ASN A 94 -10.232 -1.533 6.007 1.00 52.40 O ATOM 1343 ND2 ASN A 94 -11.189 0.369 6.724 1.00 62.14 N ATOM 0 H ASN A 94 -11.014 -0.788 11.273 1.00 43.43 H new ATOM 0 HA ASN A 94 -12.229 -1.134 8.697 1.00 72.13 H new ATOM 0 HB2 ASN A 94 -9.523 -0.229 8.741 1.00 41.52 H new ATOM 0 HB3 ASN A 94 -9.464 -1.939 8.364 1.00 41.52 H new ATOM 0 HD21 ASN A 94 -11.491 0.625 5.784 1.00 62.14 H new ATOM 0 HD22 ASN A 94 -11.403 0.980 7.512 1.00 62.14 H new ATOM 1350 N PRO A 95 -12.511 -3.321 9.918 1.00 23.21 N ATOM 1351 CA PRO A 95 -12.673 -4.702 10.383 1.00 63.03 C ATOM 1352 C PRO A 95 -12.220 -5.721 9.342 1.00 1.33 C ATOM 1353 O PRO A 95 -12.474 -5.558 8.149 1.00 53.02 O ATOM 1354 CB PRO A 95 -14.179 -4.820 10.626 1.00 13.11 C ATOM 1355 CG PRO A 95 -14.789 -3.799 9.729 1.00 70.15 C ATOM 1356 CD PRO A 95 -13.804 -2.665 9.662 1.00 62.14 C ATOM 0 HA PRO A 95 -12.067 -4.909 11.265 1.00 63.03 H new ATOM 0 HB2 PRO A 95 -14.541 -5.821 10.390 1.00 13.11 H new ATOM 0 HB3 PRO A 95 -14.428 -4.629 11.670 1.00 13.11 H new ATOM 0 HG2 PRO A 95 -14.976 -4.212 8.738 1.00 70.15 H new ATOM 0 HG3 PRO A 95 -15.749 -3.460 10.119 1.00 70.15 H new ATOM 0 HD2 PRO A 95 -13.820 -2.175 8.688 1.00 62.14 H new ATOM 0 HD3 PRO A 95 -14.021 -1.900 10.407 1.00 62.14 H new ATOM 1364 N ASP A 96 -11.548 -6.771 9.802 1.00 15.53 N ATOM 1365 CA ASP A 96 -11.061 -7.817 8.911 1.00 54.00 C ATOM 1366 C ASP A 96 -12.210 -8.435 8.120 1.00 70.11 C ATOM 1367 O ASP A 96 -12.003 -9.009 7.051 1.00 65.10 O ATOM 1368 CB ASP A 96 -10.335 -8.900 9.710 1.00 32.12 C ATOM 1369 CG ASP A 96 -9.204 -9.538 8.927 1.00 55.50 C ATOM 1370 OD1 ASP A 96 -9.494 -10.298 7.979 1.00 3.11 O ATOM 1371 OD2 ASP A 96 -8.030 -9.275 9.261 1.00 34.31 O ATOM 0 H ASP A 96 -11.328 -6.920 10.787 1.00 15.53 H new ATOM 0 HA ASP A 96 -10.361 -7.365 8.208 1.00 54.00 H new ATOM 0 HB2 ASP A 96 -9.938 -8.466 10.627 1.00 32.12 H new ATOM 0 HB3 ASP A 96 -11.048 -9.670 10.005 1.00 32.12 H new ATOM 1376 N SER A 97 -13.422 -8.314 8.653 1.00 24.42 N ATOM 1377 CA SER A 97 -14.603 -8.865 8.000 1.00 61.54 C ATOM 1378 C SER A 97 -15.401 -7.767 7.304 1.00 61.01 C ATOM 1379 O SER A 97 -16.548 -7.972 6.910 1.00 34.14 O ATOM 1380 CB SER A 97 -15.487 -9.586 9.020 1.00 42.33 C ATOM 1381 OG SER A 97 -15.057 -10.922 9.214 1.00 60.04 O ATOM 0 H SER A 97 -13.611 -7.839 9.536 1.00 24.42 H new ATOM 0 HA SER A 97 -14.271 -9.581 7.248 1.00 61.54 H new ATOM 0 HB2 SER A 97 -15.462 -9.051 9.970 1.00 42.33 H new ATOM 0 HB3 SER A 97 -16.522 -9.580 8.678 1.00 42.33 H new ATOM 0 HG SER A 97 -15.637 -11.360 9.871 1.00 60.04 H new ATOM 1387 N GLY A 98 -14.784 -6.599 7.156 1.00 45.31 N ATOM 1388 CA GLY A 98 -15.450 -5.484 6.508 1.00 31.20 C ATOM 1389 C GLY A 98 -15.431 -5.597 4.997 1.00 51.45 C ATOM 1390 O GLY A 98 -16.343 -6.166 4.398 1.00 31.53 O ATOM 0 H GLY A 98 -13.834 -6.405 7.473 1.00 45.31 H new ATOM 0 HA2 GLY A 98 -16.483 -5.432 6.852 1.00 31.20 H new ATOM 0 HA3 GLY A 98 -14.967 -4.553 6.806 1.00 31.20 H new ATOM 1394 N ALA A 99 -14.390 -5.050 4.377 1.00 21.11 N ATOM 1395 CA ALA A 99 -14.256 -5.092 2.926 1.00 1.13 C ATOM 1396 C ALA A 99 -12.795 -5.235 2.514 1.00 41.12 C ATOM 1397 O ALA A 99 -11.881 -4.813 3.222 1.00 4.50 O ATOM 1398 CB ALA A 99 -14.862 -3.843 2.304 1.00 13.11 C ATOM 0 H ALA A 99 -13.627 -4.573 4.857 1.00 21.11 H new ATOM 0 HA ALA A 99 -14.796 -5.965 2.561 1.00 1.13 H new ATOM 0 HB1 ALA A 99 -14.755 -3.888 1.220 1.00 13.11 H new ATOM 0 HB2 ALA A 99 -15.919 -3.784 2.562 1.00 13.11 H new ATOM 0 HB3 ALA A 99 -14.346 -2.961 2.683 1.00 13.11 H new ATOM 1404 N PRO A 100 -12.567 -5.845 1.341 1.00 12.02 N ATOM 1405 CA PRO A 100 -11.218 -6.058 0.808 1.00 12.23 C ATOM 1406 C PRO A 100 -10.556 -4.756 0.371 1.00 5.13 C ATOM 1407 O PRO A 100 -9.403 -4.490 0.713 1.00 51.11 O ATOM 1408 CB PRO A 100 -11.453 -6.970 -0.399 1.00 13.45 C ATOM 1409 CG PRO A 100 -12.855 -6.690 -0.817 1.00 54.22 C ATOM 1410 CD PRO A 100 -13.609 -6.374 0.445 1.00 52.51 C ATOM 0 HA PRO A 100 -10.547 -6.482 1.555 1.00 12.23 H new ATOM 0 HB2 PRO A 100 -10.749 -6.753 -1.203 1.00 13.45 H new ATOM 0 HB3 PRO A 100 -11.321 -8.019 -0.134 1.00 13.45 H new ATOM 0 HG2 PRO A 100 -12.894 -5.854 -1.515 1.00 54.22 H new ATOM 0 HG3 PRO A 100 -13.290 -7.550 -1.326 1.00 54.22 H new ATOM 0 HD2 PRO A 100 -14.398 -5.642 0.270 1.00 52.51 H new ATOM 0 HD3 PRO A 100 -14.085 -7.262 0.862 1.00 52.51 H new ATOM 1418 N ARG A 101 -11.291 -3.948 -0.385 1.00 50.23 N ATOM 1419 CA ARG A 101 -10.774 -2.674 -0.869 1.00 44.35 C ATOM 1420 C ARG A 101 -10.453 -1.740 0.294 1.00 44.11 C ATOM 1421 O ARG A 101 -9.453 -1.021 0.270 1.00 11.31 O ATOM 1422 CB ARG A 101 -11.786 -2.010 -1.805 1.00 62.54 C ATOM 1423 CG ARG A 101 -13.152 -1.800 -1.174 1.00 33.11 C ATOM 1424 CD ARG A 101 -14.165 -1.298 -2.191 1.00 43.34 C ATOM 1425 NE ARG A 101 -15.441 -1.999 -2.085 1.00 54.03 N ATOM 1426 CZ ARG A 101 -15.613 -3.269 -2.434 1.00 73.20 C ATOM 1427 NH1 ARG A 101 -14.595 -3.974 -2.908 1.00 50.42 N ATOM 1428 NH2 ARG A 101 -16.806 -3.837 -2.308 1.00 63.51 N ATOM 0 H ARG A 101 -12.247 -4.153 -0.676 1.00 50.23 H new ATOM 0 HA ARG A 101 -9.854 -2.870 -1.420 1.00 44.35 H new ATOM 0 HB2 ARG A 101 -11.392 -1.046 -2.127 1.00 62.54 H new ATOM 0 HB3 ARG A 101 -11.898 -2.624 -2.699 1.00 62.54 H new ATOM 0 HG2 ARG A 101 -13.502 -2.738 -0.742 1.00 33.11 H new ATOM 0 HG3 ARG A 101 -13.070 -1.084 -0.357 1.00 33.11 H new ATOM 0 HD2 ARG A 101 -14.325 -0.230 -2.046 1.00 43.34 H new ATOM 0 HD3 ARG A 101 -13.763 -1.426 -3.196 1.00 43.34 H new ATOM 0 HE ARG A 101 -16.245 -1.485 -1.723 1.00 54.03 H new ATOM 0 HH11 ARG A 101 -13.676 -3.541 -3.006 1.00 50.42 H new ATOM 0 HH12 ARG A 101 -14.730 -4.949 -3.175 1.00 50.42 H new ATOM 0 HH21 ARG A 101 -17.591 -3.298 -1.943 1.00 63.51 H new ATOM 0 HH22 ARG A 101 -16.937 -4.812 -2.576 1.00 63.51 H new ATOM 1442 N THR A 102 -11.307 -1.755 1.312 1.00 75.50 N ATOM 1443 CA THR A 102 -11.116 -0.910 2.483 1.00 15.34 C ATOM 1444 C THR A 102 -9.835 -1.276 3.223 1.00 61.20 C ATOM 1445 O THR A 102 -9.053 -0.404 3.603 1.00 55.33 O ATOM 1446 CB THR A 102 -12.306 -1.020 3.456 1.00 51.44 C ATOM 1447 OG1 THR A 102 -12.309 -2.307 4.083 1.00 72.05 O ATOM 1448 CG2 THR A 102 -13.623 -0.802 2.726 1.00 31.10 C ATOM 0 H THR A 102 -12.139 -2.344 1.349 1.00 75.50 H new ATOM 0 HA THR A 102 -11.044 0.116 2.123 1.00 15.34 H new ATOM 0 HB THR A 102 -12.198 -0.247 4.217 1.00 51.44 H new ATOM 0 HG1 THR A 102 -12.119 -2.997 3.414 1.00 72.05 H new ATOM 0 HG21 THR A 102 -14.449 -0.884 3.433 1.00 31.10 H new ATOM 0 HG22 THR A 102 -13.629 0.190 2.275 1.00 31.10 H new ATOM 0 HG23 THR A 102 -13.736 -1.556 1.947 1.00 31.10 H new ATOM 1456 N LYS A 103 -9.624 -2.572 3.424 1.00 24.45 N ATOM 1457 CA LYS A 103 -8.435 -3.056 4.117 1.00 12.22 C ATOM 1458 C LYS A 103 -7.166 -2.589 3.411 1.00 72.52 C ATOM 1459 O LYS A 103 -6.220 -2.133 4.052 1.00 52.31 O ATOM 1460 CB LYS A 103 -8.454 -4.584 4.199 1.00 3.13 C ATOM 1461 CG LYS A 103 -8.893 -5.115 5.553 1.00 51.03 C ATOM 1462 CD LYS A 103 -7.824 -4.899 6.611 1.00 40.25 C ATOM 1463 CE LYS A 103 -6.703 -5.920 6.487 1.00 14.22 C ATOM 1464 NZ LYS A 103 -5.904 -6.020 7.740 1.00 71.23 N ATOM 0 H LYS A 103 -10.261 -3.307 3.117 1.00 24.45 H new ATOM 0 HA LYS A 103 -8.440 -2.644 5.126 1.00 12.22 H new ATOM 0 HB2 LYS A 103 -9.123 -4.972 3.431 1.00 3.13 H new ATOM 0 HB3 LYS A 103 -7.457 -4.964 3.975 1.00 3.13 H new ATOM 0 HG2 LYS A 103 -9.814 -4.618 5.858 1.00 51.03 H new ATOM 0 HG3 LYS A 103 -9.117 -6.179 5.472 1.00 51.03 H new ATOM 0 HD2 LYS A 103 -7.414 -3.894 6.516 1.00 40.25 H new ATOM 0 HD3 LYS A 103 -8.272 -4.968 7.602 1.00 40.25 H new ATOM 0 HE2 LYS A 103 -7.125 -6.896 6.246 1.00 14.22 H new ATOM 0 HE3 LYS A 103 -6.049 -5.643 5.660 1.00 14.22 H new ATOM 0 HZ1 LYS A 103 -5.150 -6.726 7.616 1.00 71.23 H new ATOM 0 HZ2 LYS A 103 -5.480 -5.095 7.956 1.00 71.23 H new ATOM 0 HZ3 LYS A 103 -6.523 -6.309 8.524 1.00 71.23 H new ATOM 1478 N MET A 104 -7.154 -2.707 2.087 1.00 12.51 N ATOM 1479 CA MET A 104 -6.002 -2.294 1.294 1.00 1.02 C ATOM 1480 C MET A 104 -5.883 -0.774 1.258 1.00 54.35 C ATOM 1481 O MET A 104 -4.789 -0.223 1.384 1.00 41.12 O ATOM 1482 CB MET A 104 -6.112 -2.843 -0.129 1.00 75.15 C ATOM 1483 CG MET A 104 -5.092 -3.925 -0.444 1.00 53.05 C ATOM 1484 SD MET A 104 -5.859 -5.497 -0.881 1.00 34.32 S ATOM 1485 CE MET A 104 -6.198 -6.171 0.744 1.00 64.42 C ATOM 0 H MET A 104 -7.928 -3.085 1.541 1.00 12.51 H new ATOM 0 HA MET A 104 -5.106 -2.699 1.763 1.00 1.02 H new ATOM 0 HB2 MET A 104 -7.114 -3.245 -0.278 1.00 75.15 H new ATOM 0 HB3 MET A 104 -5.990 -2.023 -0.836 1.00 75.15 H new ATOM 0 HG2 MET A 104 -4.459 -3.593 -1.267 1.00 53.05 H new ATOM 0 HG3 MET A 104 -4.443 -4.070 0.420 1.00 53.05 H new ATOM 0 HE1 MET A 104 -6.675 -7.146 0.641 1.00 64.42 H new ATOM 0 HE2 MET A 104 -5.264 -6.280 1.295 1.00 64.42 H new ATOM 0 HE3 MET A 104 -6.862 -5.498 1.286 1.00 64.42 H new ATOM 1495 N LEU A 105 -7.015 -0.101 1.084 1.00 55.43 N ATOM 1496 CA LEU A 105 -7.038 1.357 1.030 1.00 15.02 C ATOM 1497 C LEU A 105 -6.391 1.958 2.274 1.00 61.14 C ATOM 1498 O LEU A 105 -5.823 3.049 2.225 1.00 54.55 O ATOM 1499 CB LEU A 105 -8.477 1.859 0.897 1.00 11.51 C ATOM 1500 CG LEU A 105 -8.898 2.328 -0.496 1.00 52.31 C ATOM 1501 CD1 LEU A 105 -8.808 1.184 -1.494 1.00 43.42 C ATOM 1502 CD2 LEU A 105 -10.308 2.899 -0.463 1.00 53.51 C ATOM 0 H LEU A 105 -7.929 -0.541 0.978 1.00 55.43 H new ATOM 0 HA LEU A 105 -6.467 1.673 0.157 1.00 15.02 H new ATOM 0 HB2 LEU A 105 -9.150 1.060 1.208 1.00 11.51 H new ATOM 0 HB3 LEU A 105 -8.619 2.684 1.595 1.00 11.51 H new ATOM 0 HG LEU A 105 -8.216 3.116 -0.815 1.00 52.31 H new ATOM 0 HD11 LEU A 105 -9.111 1.536 -2.480 1.00 43.42 H new ATOM 0 HD12 LEU A 105 -7.782 0.820 -1.539 1.00 43.42 H new ATOM 0 HD13 LEU A 105 -9.467 0.374 -1.180 1.00 43.42 H new ATOM 0 HD21 LEU A 105 -10.591 3.228 -1.463 1.00 53.51 H new ATOM 0 HD22 LEU A 105 -11.003 2.132 -0.123 1.00 53.51 H new ATOM 0 HD23 LEU A 105 -10.341 3.747 0.221 1.00 53.51 H new ATOM 1514 N TYR A 106 -6.478 1.238 3.386 1.00 20.52 N ATOM 1515 CA TYR A 106 -5.901 1.699 4.643 1.00 43.50 C ATOM 1516 C TYR A 106 -4.400 1.934 4.500 1.00 70.14 C ATOM 1517 O TYR A 106 -3.884 2.982 4.888 1.00 31.20 O ATOM 1518 CB TYR A 106 -6.165 0.682 5.754 1.00 14.43 C ATOM 1519 CG TYR A 106 -5.362 0.935 7.010 1.00 31.02 C ATOM 1520 CD1 TYR A 106 -5.555 2.087 7.762 1.00 45.53 C ATOM 1521 CD2 TYR A 106 -4.411 0.020 7.446 1.00 52.14 C ATOM 1522 CE1 TYR A 106 -4.822 2.322 8.909 1.00 12.52 C ATOM 1523 CE2 TYR A 106 -3.675 0.246 8.593 1.00 53.12 C ATOM 1524 CZ TYR A 106 -3.884 1.399 9.321 1.00 71.12 C ATOM 1525 OH TYR A 106 -3.154 1.629 10.464 1.00 24.41 O ATOM 0 H TYR A 106 -6.943 0.332 3.443 1.00 20.52 H new ATOM 0 HA TYR A 106 -6.376 2.645 4.905 1.00 43.50 H new ATOM 0 HB2 TYR A 106 -7.226 0.695 6.003 1.00 14.43 H new ATOM 0 HB3 TYR A 106 -5.937 -0.317 5.382 1.00 14.43 H new ATOM 0 HD1 TYR A 106 -6.291 2.811 7.444 1.00 45.53 H new ATOM 0 HD2 TYR A 106 -4.245 -0.883 6.878 1.00 52.14 H new ATOM 0 HE1 TYR A 106 -4.983 3.224 9.480 1.00 12.52 H new ATOM 0 HE2 TYR A 106 -2.940 -0.476 8.918 1.00 53.12 H new ATOM 0 HH TYR A 106 -3.687 2.162 11.091 1.00 24.41 H new ATOM 1535 N SER A 107 -3.705 0.950 3.938 1.00 70.20 N ATOM 1536 CA SER A 107 -2.263 1.046 3.745 1.00 22.22 C ATOM 1537 C SER A 107 -1.929 2.025 2.624 1.00 3.31 C ATOM 1538 O SER A 107 -0.851 2.619 2.605 1.00 42.43 O ATOM 1539 CB SER A 107 -1.677 -0.331 3.426 1.00 2.14 C ATOM 1540 OG SER A 107 -0.784 -0.753 4.443 1.00 43.34 O ATOM 0 H SER A 107 -4.117 0.077 3.608 1.00 70.20 H new ATOM 0 HA SER A 107 -1.821 1.416 4.670 1.00 22.22 H new ATOM 0 HB2 SER A 107 -2.483 -1.057 3.321 1.00 2.14 H new ATOM 0 HB3 SER A 107 -1.154 -0.295 2.470 1.00 2.14 H new ATOM 0 HG SER A 107 -0.424 -1.636 4.217 1.00 43.34 H new ATOM 1546 N SER A 108 -2.862 2.188 1.691 1.00 24.04 N ATOM 1547 CA SER A 108 -2.666 3.092 0.564 1.00 10.01 C ATOM 1548 C SER A 108 -2.621 4.543 1.033 1.00 54.21 C ATOM 1549 O SER A 108 -2.083 5.412 0.348 1.00 44.24 O ATOM 1550 CB SER A 108 -3.785 2.910 -0.463 1.00 12.11 C ATOM 1551 OG SER A 108 -3.489 3.597 -1.667 1.00 32.42 O ATOM 0 H SER A 108 -3.761 1.706 1.694 1.00 24.04 H new ATOM 0 HA SER A 108 -1.711 2.850 0.097 1.00 10.01 H new ATOM 0 HB2 SER A 108 -3.923 1.849 -0.671 1.00 12.11 H new ATOM 0 HB3 SER A 108 -4.724 3.279 -0.051 1.00 12.11 H new ATOM 0 HG SER A 108 -4.219 3.464 -2.308 1.00 32.42 H new ATOM 1557 N SER A 109 -3.192 4.797 2.206 1.00 12.31 N ATOM 1558 CA SER A 109 -3.222 6.143 2.766 1.00 1.32 C ATOM 1559 C SER A 109 -2.312 6.244 3.987 1.00 34.20 C ATOM 1560 O SER A 109 -1.917 7.337 4.392 1.00 43.24 O ATOM 1561 CB SER A 109 -4.652 6.528 3.149 1.00 73.02 C ATOM 1562 OG SER A 109 -5.588 5.610 2.611 1.00 34.23 O ATOM 0 H SER A 109 -3.640 4.088 2.787 1.00 12.31 H new ATOM 0 HA SER A 109 -2.859 6.834 2.005 1.00 1.32 H new ATOM 0 HB2 SER A 109 -4.747 6.555 4.235 1.00 73.02 H new ATOM 0 HB3 SER A 109 -4.872 7.532 2.785 1.00 73.02 H new ATOM 0 HG SER A 109 -5.864 4.978 3.307 1.00 34.23 H new ATOM 1568 N ARG A 110 -1.985 5.095 4.569 1.00 31.13 N ATOM 1569 CA ARG A 110 -1.123 5.052 5.745 1.00 55.34 C ATOM 1570 C ARG A 110 0.260 5.612 5.425 1.00 31.42 C ATOM 1571 O ARG A 110 0.834 6.362 6.214 1.00 3.11 O ATOM 1572 CB ARG A 110 -0.999 3.617 6.260 1.00 3.41 C ATOM 1573 CG ARG A 110 -0.696 3.529 7.747 1.00 61.51 C ATOM 1574 CD ARG A 110 0.118 2.287 8.077 1.00 73.35 C ATOM 1575 NE ARG A 110 1.132 2.551 9.093 1.00 21.03 N ATOM 1576 CZ ARG A 110 1.983 1.633 9.538 1.00 2.22 C ATOM 1577 NH1 ARG A 110 1.942 0.398 9.058 1.00 42.11 N ATOM 1578 NH2 ARG A 110 2.878 1.950 10.465 1.00 1.41 N ATOM 0 H ARG A 110 -2.304 4.182 4.246 1.00 31.13 H new ATOM 0 HA ARG A 110 -1.575 5.670 6.520 1.00 55.34 H new ATOM 0 HB2 ARG A 110 -1.928 3.084 6.055 1.00 3.41 H new ATOM 0 HB3 ARG A 110 -0.210 3.108 5.706 1.00 3.41 H new ATOM 0 HG2 ARG A 110 -0.149 4.418 8.061 1.00 61.51 H new ATOM 0 HG3 ARG A 110 -1.630 3.514 8.309 1.00 61.51 H new ATOM 0 HD2 ARG A 110 -0.549 1.499 8.427 1.00 73.35 H new ATOM 0 HD3 ARG A 110 0.600 1.918 7.171 1.00 73.35 H new ATOM 0 HE ARG A 110 1.190 3.492 9.483 1.00 21.03 H new ATOM 0 HH11 ARG A 110 1.256 0.150 8.345 1.00 42.11 H new ATOM 0 HH12 ARG A 110 2.597 -0.305 9.402 1.00 42.11 H new ATOM 0 HH21 ARG A 110 2.913 2.899 10.837 1.00 1.41 H new ATOM 0 HH22 ARG A 110 3.531 1.244 10.806 1.00 1.41 H new ATOM 1592 N ASP A 111 0.789 5.240 4.265 1.00 54.45 N ATOM 1593 CA ASP A 111 2.104 5.705 3.840 1.00 2.02 C ATOM 1594 C ASP A 111 2.094 7.210 3.588 1.00 31.52 C ATOM 1595 O ASP A 111 3.071 7.903 3.869 1.00 22.51 O ATOM 1596 CB ASP A 111 2.546 4.967 2.576 1.00 61.42 C ATOM 1597 CG ASP A 111 4.032 5.111 2.310 1.00 14.31 C ATOM 1598 OD1 ASP A 111 4.816 5.045 3.279 1.00 64.10 O ATOM 1599 OD2 ASP A 111 4.409 5.292 1.133 1.00 25.13 O ATOM 0 H ASP A 111 0.327 4.618 3.602 1.00 54.45 H new ATOM 0 HA ASP A 111 2.812 5.494 4.641 1.00 2.02 H new ATOM 0 HB2 ASP A 111 2.298 3.910 2.671 1.00 61.42 H new ATOM 0 HB3 ASP A 111 1.988 5.350 1.721 1.00 61.42 H new ATOM 1604 N ALA A 112 0.983 7.708 3.056 1.00 73.43 N ATOM 1605 CA ALA A 112 0.845 9.130 2.767 1.00 70.44 C ATOM 1606 C ALA A 112 0.519 9.918 4.031 1.00 61.33 C ATOM 1607 O ALA A 112 0.769 11.122 4.106 1.00 72.42 O ATOM 1608 CB ALA A 112 -0.229 9.352 1.712 1.00 0.10 C ATOM 0 H ALA A 112 0.165 7.148 2.816 1.00 73.43 H new ATOM 0 HA ALA A 112 1.798 9.492 2.381 1.00 70.44 H new ATOM 0 HB1 ALA A 112 -0.322 10.418 1.506 1.00 0.10 H new ATOM 0 HB2 ALA A 112 0.046 8.828 0.797 1.00 0.10 H new ATOM 0 HB3 ALA A 112 -1.182 8.969 2.077 1.00 0.10 H new ATOM 1614 N LEU A 113 -0.040 9.232 5.022 1.00 52.43 N ATOM 1615 CA LEU A 113 -0.401 9.869 6.284 1.00 73.13 C ATOM 1616 C LEU A 113 0.805 9.959 7.213 1.00 40.12 C ATOM 1617 O LEU A 113 0.873 10.834 8.076 1.00 0.21 O ATOM 1618 CB LEU A 113 -1.528 9.091 6.966 1.00 22.11 C ATOM 1619 CG LEU A 113 -2.937 9.660 6.794 1.00 64.03 C ATOM 1620 CD1 LEU A 113 -3.936 8.543 6.538 1.00 31.55 C ATOM 1621 CD2 LEU A 113 -3.339 10.468 8.019 1.00 42.34 C ATOM 0 H LEU A 113 -0.253 8.236 4.976 1.00 52.43 H new ATOM 0 HA LEU A 113 -0.745 10.880 6.067 1.00 73.13 H new ATOM 0 HB2 LEU A 113 -1.521 8.070 6.583 1.00 22.11 H new ATOM 0 HB3 LEU A 113 -1.309 9.033 8.032 1.00 22.11 H new ATOM 0 HG LEU A 113 -2.937 10.324 5.930 1.00 64.03 H new ATOM 0 HD11 LEU A 113 -4.933 8.967 6.418 1.00 31.55 H new ATOM 0 HD12 LEU A 113 -3.658 8.007 5.630 1.00 31.55 H new ATOM 0 HD13 LEU A 113 -3.934 7.853 7.382 1.00 31.55 H new ATOM 0 HD21 LEU A 113 -4.344 10.865 7.879 1.00 42.34 H new ATOM 0 HD22 LEU A 113 -3.322 9.826 8.900 1.00 42.34 H new ATOM 0 HD23 LEU A 113 -2.639 11.292 8.157 1.00 42.34 H new ATOM 1633 N VAL A 114 1.757 9.050 7.029 1.00 72.44 N ATOM 1634 CA VAL A 114 2.963 9.028 7.848 1.00 53.22 C ATOM 1635 C VAL A 114 3.636 10.396 7.871 1.00 14.11 C ATOM 1636 O VAL A 114 3.877 10.979 8.928 1.00 33.04 O ATOM 1637 CB VAL A 114 3.970 7.981 7.336 1.00 2.44 C ATOM 1638 CG1 VAL A 114 5.395 8.418 7.641 1.00 41.24 C ATOM 1639 CG2 VAL A 114 3.679 6.619 7.948 1.00 2.30 C ATOM 0 H VAL A 114 1.716 8.319 6.319 1.00 72.44 H new ATOM 0 HA VAL A 114 2.655 8.761 8.859 1.00 53.22 H new ATOM 0 HB VAL A 114 3.864 7.898 6.254 1.00 2.44 H new ATOM 0 HG11 VAL A 114 6.093 7.666 7.272 1.00 41.24 H new ATOM 0 HG12 VAL A 114 5.596 9.371 7.152 1.00 41.24 H new ATOM 0 HG13 VAL A 114 5.518 8.530 8.718 1.00 41.24 H new ATOM 0 HG21 VAL A 114 4.400 5.891 7.575 1.00 2.30 H new ATOM 0 HG22 VAL A 114 3.757 6.684 9.033 1.00 2.30 H new ATOM 0 HG23 VAL A 114 2.672 6.305 7.674 1.00 2.30 H new ATOM 1649 N PRO A 115 3.947 10.923 6.677 1.00 35.14 N ATOM 1650 CA PRO A 115 4.595 12.230 6.534 1.00 62.44 C ATOM 1651 C PRO A 115 3.669 13.381 6.910 1.00 2.02 C ATOM 1652 O PRO A 115 4.120 14.424 7.385 1.00 3.30 O ATOM 1653 CB PRO A 115 4.945 12.290 5.045 1.00 61.14 C ATOM 1654 CG PRO A 115 3.963 11.383 4.388 1.00 53.05 C ATOM 1655 CD PRO A 115 3.688 10.284 5.376 1.00 23.32 C ATOM 0 HA PRO A 115 5.457 12.332 7.194 1.00 62.44 H new ATOM 0 HB2 PRO A 115 4.864 13.307 4.660 1.00 61.14 H new ATOM 0 HB3 PRO A 115 5.969 11.962 4.865 1.00 61.14 H new ATOM 0 HG2 PRO A 115 3.048 11.917 4.134 1.00 53.05 H new ATOM 0 HG3 PRO A 115 4.365 10.980 3.458 1.00 53.05 H new ATOM 0 HD2 PRO A 115 2.662 9.925 5.302 1.00 23.32 H new ATOM 0 HD3 PRO A 115 4.339 9.425 5.213 1.00 23.32 H new ATOM 1663 N LEU A 116 2.373 13.186 6.696 1.00 32.32 N ATOM 1664 CA LEU A 116 1.382 14.208 7.014 1.00 2.41 C ATOM 1665 C LEU A 116 1.305 14.443 8.519 1.00 5.03 C ATOM 1666 O LEU A 116 1.077 15.565 8.973 1.00 21.35 O ATOM 1667 CB LEU A 116 0.009 13.800 6.479 1.00 34.54 C ATOM 1668 CG LEU A 116 -0.584 14.699 5.394 1.00 14.25 C ATOM 1669 CD1 LEU A 116 -0.896 16.078 5.956 1.00 64.04 C ATOM 1670 CD2 LEU A 116 0.366 14.805 4.211 1.00 4.11 C ATOM 0 H LEU A 116 1.983 12.329 6.303 1.00 32.32 H new ATOM 0 HA LEU A 116 1.690 15.138 6.535 1.00 2.41 H new ATOM 0 HB2 LEU A 116 0.082 12.787 6.083 1.00 34.54 H new ATOM 0 HB3 LEU A 116 -0.689 13.766 7.316 1.00 34.54 H new ATOM 0 HG LEU A 116 -1.515 14.252 5.047 1.00 14.25 H new ATOM 0 HD11 LEU A 116 -1.317 16.705 5.170 1.00 64.04 H new ATOM 0 HD12 LEU A 116 -1.615 15.985 6.770 1.00 64.04 H new ATOM 0 HD13 LEU A 116 0.020 16.534 6.331 1.00 64.04 H new ATOM 0 HD21 LEU A 116 -0.073 15.449 3.449 1.00 4.11 H new ATOM 0 HD22 LEU A 116 1.314 15.229 4.542 1.00 4.11 H new ATOM 0 HD23 LEU A 116 0.539 13.813 3.793 1.00 4.11 H new ATOM 1682 N THR A 117 1.500 13.377 9.290 1.00 51.30 N ATOM 1683 CA THR A 117 1.454 13.467 10.744 1.00 71.21 C ATOM 1684 C THR A 117 2.719 12.891 11.370 1.00 33.15 C ATOM 1685 O THR A 117 2.668 11.887 12.081 1.00 40.14 O ATOM 1686 CB THR A 117 0.229 12.726 11.314 1.00 43.42 C ATOM 1687 OG1 THR A 117 0.227 11.366 10.866 1.00 52.42 O ATOM 1688 CG2 THR A 117 -1.062 13.408 10.888 1.00 40.43 C ATOM 0 H THR A 117 1.691 12.442 8.931 1.00 51.30 H new ATOM 0 HA THR A 117 1.378 14.525 10.994 1.00 71.21 H new ATOM 0 HB THR A 117 0.291 12.749 12.402 1.00 43.42 H new ATOM 0 HG1 THR A 117 0.837 10.838 11.422 1.00 52.42 H new ATOM 0 HG21 THR A 117 -1.913 12.867 11.302 1.00 40.43 H new ATOM 0 HG22 THR A 117 -1.070 14.434 11.256 1.00 40.43 H new ATOM 0 HG23 THR A 117 -1.129 13.412 9.800 1.00 40.43 H new ATOM 1696 N GLN A 118 3.851 13.533 11.103 1.00 2.34 N ATOM 1697 CA GLN A 118 5.129 13.083 11.642 1.00 3.51 C ATOM 1698 C GLN A 118 5.066 12.958 13.161 1.00 42.42 C ATOM 1699 O GLN A 118 4.764 13.924 13.861 1.00 22.31 O ATOM 1700 CB GLN A 118 6.244 14.053 11.244 1.00 31.42 C ATOM 1701 CG GLN A 118 6.935 13.683 9.942 1.00 50.14 C ATOM 1702 CD GLN A 118 7.903 12.528 10.102 1.00 64.10 C ATOM 1703 OE1 GLN A 118 8.774 12.549 10.973 1.00 72.33 O ATOM 1704 NE2 GLN A 118 7.757 11.511 9.261 1.00 50.15 N ATOM 0 H GLN A 118 3.910 14.366 10.517 1.00 2.34 H new ATOM 0 HA GLN A 118 5.345 12.100 11.224 1.00 3.51 H new ATOM 0 HB2 GLN A 118 5.826 15.056 11.152 1.00 31.42 H new ATOM 0 HB3 GLN A 118 6.986 14.088 12.042 1.00 31.42 H new ATOM 0 HG2 GLN A 118 6.183 13.421 9.198 1.00 50.14 H new ATOM 0 HG3 GLN A 118 7.472 14.552 9.561 1.00 50.14 H new ATOM 0 HE21 GLN A 118 7.022 11.535 8.554 1.00 50.15 H new ATOM 0 HE22 GLN A 118 8.380 10.706 9.322 1.00 50.15 H new ATOM 1713 N GLY A 119 5.353 11.761 13.664 1.00 41.53 N ATOM 1714 CA GLY A 119 5.323 11.532 15.096 1.00 14.14 C ATOM 1715 C GLY A 119 3.921 11.274 15.613 1.00 60.45 C ATOM 1716 O GLY A 119 3.511 11.838 16.627 1.00 24.44 O ATOM 0 H GLY A 119 5.606 10.946 13.105 1.00 41.53 H new ATOM 0 HA2 GLY A 119 5.959 10.680 15.338 1.00 14.14 H new ATOM 0 HA3 GLY A 119 5.742 12.398 15.608 1.00 14.14 H new ATOM 1720 N PHE A 120 3.182 10.419 14.912 1.00 44.51 N ATOM 1721 CA PHE A 120 1.817 10.089 15.304 1.00 41.44 C ATOM 1722 C PHE A 120 1.657 8.585 15.502 1.00 72.11 C ATOM 1723 O PHE A 120 2.438 7.793 14.975 1.00 13.00 O ATOM 1724 CB PHE A 120 0.827 10.584 14.247 1.00 10.33 C ATOM 1725 CG PHE A 120 0.592 9.599 13.138 1.00 51.41 C ATOM 1726 CD1 PHE A 120 1.632 9.206 12.311 1.00 34.21 C ATOM 1727 CD2 PHE A 120 -0.669 9.068 12.922 1.00 72.44 C ATOM 1728 CE1 PHE A 120 1.419 8.299 11.290 1.00 52.45 C ATOM 1729 CE2 PHE A 120 -0.888 8.161 11.902 1.00 21.40 C ATOM 1730 CZ PHE A 120 0.157 7.777 11.084 1.00 30.12 C ATOM 0 H PHE A 120 3.506 9.943 14.070 1.00 44.51 H new ATOM 0 HA PHE A 120 1.607 10.587 16.251 1.00 41.44 H new ATOM 0 HB2 PHE A 120 -0.124 10.810 14.729 1.00 10.33 H new ATOM 0 HB3 PHE A 120 1.198 11.516 13.821 1.00 10.33 H new ATOM 0 HD1 PHE A 120 2.620 9.613 12.466 1.00 34.21 H new ATOM 0 HD2 PHE A 120 -1.490 9.366 13.557 1.00 72.44 H new ATOM 0 HE1 PHE A 120 2.239 7.999 10.654 1.00 52.45 H new ATOM 0 HE2 PHE A 120 -1.875 7.753 11.745 1.00 21.40 H new ATOM 0 HZ PHE A 120 -0.013 7.070 10.285 1.00 30.12 H new ATOM 1740 N GLN A 121 0.640 8.200 16.266 1.00 75.24 N ATOM 1741 CA GLN A 121 0.377 6.791 16.535 1.00 65.13 C ATOM 1742 C GLN A 121 -0.805 6.290 15.712 1.00 11.41 C ATOM 1743 O GLN A 121 -1.952 6.355 16.152 1.00 31.44 O ATOM 1744 CB GLN A 121 0.105 6.577 18.025 1.00 73.44 C ATOM 1745 CG GLN A 121 1.168 5.745 18.724 1.00 11.53 C ATOM 1746 CD GLN A 121 2.464 6.505 18.925 1.00 3.30 C ATOM 1747 OE1 GLN A 121 3.343 6.496 18.062 1.00 32.13 O ATOM 1748 NE2 GLN A 121 2.591 7.169 20.068 1.00 53.40 N ATOM 0 H GLN A 121 -0.015 8.844 16.710 1.00 75.24 H new ATOM 0 HA GLN A 121 1.261 6.221 16.249 1.00 65.13 H new ATOM 0 HB2 GLN A 121 0.034 7.548 18.516 1.00 73.44 H new ATOM 0 HB3 GLN A 121 -0.862 6.089 18.143 1.00 73.44 H new ATOM 0 HG2 GLN A 121 0.789 5.417 19.692 1.00 11.53 H new ATOM 0 HG3 GLN A 121 1.365 4.847 18.138 1.00 11.53 H new ATOM 0 HE21 GLN A 121 1.838 7.149 20.756 1.00 53.40 H new ATOM 0 HE22 GLN A 121 3.442 7.699 20.258 1.00 53.40 H new ATOM 1757 N GLY A 122 -0.517 5.792 14.513 1.00 34.45 N ATOM 1758 CA GLY A 122 -1.568 5.288 13.648 1.00 23.20 C ATOM 1759 C GLY A 122 -1.842 3.813 13.867 1.00 13.34 C ATOM 1760 O GLY A 122 -0.994 2.968 13.580 1.00 33.01 O ATOM 0 H GLY A 122 0.424 5.729 14.126 1.00 34.45 H new ATOM 0 HA2 GLY A 122 -2.482 5.854 13.825 1.00 23.20 H new ATOM 0 HA3 GLY A 122 -1.288 5.452 12.607 1.00 23.20 H new ATOM 1764 N ILE A 123 -3.029 3.504 14.379 1.00 61.10 N ATOM 1765 CA ILE A 123 -3.412 2.121 14.637 1.00 1.41 C ATOM 1766 C ILE A 123 -4.797 1.820 14.074 1.00 44.31 C ATOM 1767 O ILE A 123 -5.713 2.634 14.187 1.00 70.22 O ATOM 1768 CB ILE A 123 -3.404 1.807 16.145 1.00 42.13 C ATOM 1769 CG1 ILE A 123 -2.053 2.181 16.759 1.00 52.43 C ATOM 1770 CG2 ILE A 123 -3.709 0.335 16.381 1.00 53.54 C ATOM 1771 CD1 ILE A 123 -2.143 3.286 17.788 1.00 42.20 C ATOM 0 H ILE A 123 -3.741 4.192 14.623 1.00 61.10 H new ATOM 0 HA ILE A 123 -2.675 1.491 14.139 1.00 1.41 H new ATOM 0 HB ILE A 123 -4.179 2.401 16.629 1.00 42.13 H new ATOM 0 HG12 ILE A 123 -1.617 1.297 17.224 1.00 52.43 H new ATOM 0 HG13 ILE A 123 -1.375 2.490 15.964 1.00 52.43 H new ATOM 0 HG21 ILE A 123 -3.700 0.129 17.451 1.00 53.54 H new ATOM 0 HG22 ILE A 123 -4.692 0.097 15.974 1.00 53.54 H new ATOM 0 HG23 ILE A 123 -2.954 -0.277 15.887 1.00 53.54 H new ATOM 0 HD11 ILE A 123 -1.149 3.499 18.181 1.00 42.20 H new ATOM 0 HD12 ILE A 123 -2.549 4.184 17.323 1.00 42.20 H new ATOM 0 HD13 ILE A 123 -2.796 2.972 18.603 1.00 42.20 H new ATOM 1783 N GLN A 124 -4.941 0.646 13.469 1.00 63.41 N ATOM 1784 CA GLN A 124 -6.215 0.237 12.889 1.00 24.31 C ATOM 1785 C GLN A 124 -6.865 -0.861 13.724 1.00 14.02 C ATOM 1786 O GLN A 124 -6.306 -1.945 13.887 1.00 3.30 O ATOM 1787 CB GLN A 124 -6.013 -0.250 11.453 1.00 25.42 C ATOM 1788 CG GLN A 124 -4.835 -1.198 11.292 1.00 21.14 C ATOM 1789 CD GLN A 124 -5.013 -2.159 10.134 1.00 75.42 C ATOM 1790 OE1 GLN A 124 -6.133 -2.408 9.685 1.00 41.31 O ATOM 1791 NE2 GLN A 124 -3.908 -2.706 9.642 1.00 22.43 N ATOM 0 H GLN A 124 -4.192 -0.039 13.367 1.00 63.41 H new ATOM 0 HA GLN A 124 -6.877 1.103 12.882 1.00 24.31 H new ATOM 0 HB2 GLN A 124 -6.921 -0.751 11.117 1.00 25.42 H new ATOM 0 HB3 GLN A 124 -5.866 0.613 10.803 1.00 25.42 H new ATOM 0 HG2 GLN A 124 -3.925 -0.618 11.141 1.00 21.14 H new ATOM 0 HG3 GLN A 124 -4.702 -1.766 12.213 1.00 21.14 H new ATOM 0 HE21 GLN A 124 -3.000 -2.472 10.044 1.00 22.43 H new ATOM 0 HE22 GLN A 124 -3.967 -3.360 8.862 1.00 22.43 H new ATOM 1800 N ALA A 125 -8.051 -0.572 14.252 1.00 63.45 N ATOM 1801 CA ALA A 125 -8.778 -1.536 15.068 1.00 13.44 C ATOM 1802 C ALA A 125 -10.285 -1.369 14.903 1.00 50.23 C ATOM 1803 O ALA A 125 -10.813 -0.264 15.021 1.00 33.24 O ATOM 1804 CB ALA A 125 -8.387 -1.389 16.531 1.00 20.15 C ATOM 0 H ALA A 125 -8.528 0.321 14.129 1.00 63.45 H new ATOM 0 HA ALA A 125 -8.510 -2.537 14.729 1.00 13.44 H new ATOM 0 HB1 ALA A 125 -8.937 -2.115 17.129 1.00 20.15 H new ATOM 0 HB2 ALA A 125 -7.317 -1.565 16.641 1.00 20.15 H new ATOM 0 HB3 ALA A 125 -8.626 -0.382 16.872 1.00 20.15 H new ATOM 1810 N ASN A 126 -10.971 -2.473 14.627 1.00 72.12 N ATOM 1811 CA ASN A 126 -12.418 -2.448 14.443 1.00 22.33 C ATOM 1812 C ASN A 126 -13.135 -2.886 15.717 1.00 53.43 C ATOM 1813 O ASN A 126 -12.561 -3.575 16.559 1.00 21.25 O ATOM 1814 CB ASN A 126 -12.821 -3.357 13.280 1.00 41.41 C ATOM 1815 CG ASN A 126 -12.903 -4.815 13.687 1.00 71.12 C ATOM 1816 OD1 ASN A 126 -11.895 -5.521 13.714 1.00 21.23 O ATOM 1817 ND2 ASN A 126 -14.108 -5.273 14.005 1.00 72.40 N ATOM 0 H ASN A 126 -10.549 -3.396 14.526 1.00 72.12 H new ATOM 0 HA ASN A 126 -12.713 -1.424 14.214 1.00 22.33 H new ATOM 0 HB2 ASN A 126 -13.787 -3.037 12.890 1.00 41.41 H new ATOM 0 HB3 ASN A 126 -12.099 -3.249 12.471 1.00 41.41 H new ATOM 0 HD21 ASN A 126 -14.226 -6.246 14.286 1.00 72.40 H new ATOM 0 HD22 ASN A 126 -14.916 -4.651 13.968 1.00 72.40 H new ATOM 1824 N ASP A 127 -14.393 -2.480 15.849 1.00 34.31 N ATOM 1825 CA ASP A 127 -15.191 -2.831 17.019 1.00 63.34 C ATOM 1826 C ASP A 127 -14.589 -2.232 18.286 1.00 32.21 C ATOM 1827 O ASP A 127 -13.755 -1.330 18.222 1.00 22.05 O ATOM 1828 CB ASP A 127 -15.291 -4.351 17.156 1.00 35.22 C ATOM 1829 CG ASP A 127 -16.663 -4.801 17.621 1.00 3.21 C ATOM 1830 OD1 ASP A 127 -17.552 -4.975 16.762 1.00 31.43 O ATOM 1831 OD2 ASP A 127 -16.847 -4.977 18.844 1.00 64.32 O ATOM 0 H ASP A 127 -14.882 -1.908 15.161 1.00 34.31 H new ATOM 0 HA ASP A 127 -16.191 -2.419 16.884 1.00 63.34 H new ATOM 0 HB2 ASP A 127 -15.066 -4.815 16.196 1.00 35.22 H new ATOM 0 HB3 ASP A 127 -14.538 -4.700 17.863 1.00 35.22 H new ATOM 1836 N ALA A 128 -15.020 -2.740 19.436 1.00 2.24 N ATOM 1837 CA ALA A 128 -14.523 -2.256 20.718 1.00 13.45 C ATOM 1838 C ALA A 128 -12.999 -2.280 20.762 1.00 72.14 C ATOM 1839 O ALA A 128 -12.377 -1.512 21.495 1.00 51.31 O ATOM 1840 CB ALA A 128 -15.099 -3.087 21.855 1.00 21.04 C ATOM 0 H ALA A 128 -15.712 -3.486 19.506 1.00 2.24 H new ATOM 0 HA ALA A 128 -14.847 -1.222 20.838 1.00 13.45 H new ATOM 0 HB1 ALA A 128 -14.719 -2.715 22.806 1.00 21.04 H new ATOM 0 HB2 ALA A 128 -16.186 -3.014 21.844 1.00 21.04 H new ATOM 0 HB3 ALA A 128 -14.804 -4.129 21.730 1.00 21.04 H new ATOM 1846 N SER A 129 -12.404 -3.168 19.972 1.00 64.10 N ATOM 1847 CA SER A 129 -10.952 -3.296 19.924 1.00 42.33 C ATOM 1848 C SER A 129 -10.305 -1.984 19.489 1.00 14.33 C ATOM 1849 O SER A 129 -9.138 -1.728 19.780 1.00 3.21 O ATOM 1850 CB SER A 129 -10.549 -4.418 18.965 1.00 1.21 C ATOM 1851 OG SER A 129 -10.247 -5.608 19.672 1.00 63.32 O ATOM 0 H SER A 129 -12.905 -3.809 19.357 1.00 64.10 H new ATOM 0 HA SER A 129 -10.600 -3.540 20.926 1.00 42.33 H new ATOM 0 HB2 SER A 129 -11.358 -4.606 18.259 1.00 1.21 H new ATOM 0 HB3 SER A 129 -9.682 -4.108 18.381 1.00 1.21 H new ATOM 0 HG SER A 129 -9.994 -6.310 19.037 1.00 63.32 H new ATOM 1857 N GLY A 130 -11.075 -1.155 18.790 1.00 0.11 N ATOM 1858 CA GLY A 130 -10.561 0.121 18.326 1.00 34.41 C ATOM 1859 C GLY A 130 -11.103 1.289 19.125 1.00 14.22 C ATOM 1860 O GLY A 130 -11.019 2.439 18.692 1.00 13.33 O ATOM 0 H GLY A 130 -12.045 -1.344 18.537 1.00 0.11 H new ATOM 0 HA2 GLY A 130 -9.473 0.115 18.389 1.00 34.41 H new ATOM 0 HA3 GLY A 130 -10.819 0.253 17.275 1.00 34.41 H new ATOM 1864 N LEU A 131 -11.663 0.996 20.294 1.00 64.21 N ATOM 1865 CA LEU A 131 -12.223 2.031 21.155 1.00 3.34 C ATOM 1866 C LEU A 131 -11.701 1.893 22.582 1.00 11.52 C ATOM 1867 O LEU A 131 -12.335 2.352 23.533 1.00 51.55 O ATOM 1868 CB LEU A 131 -13.750 1.956 21.149 1.00 15.33 C ATOM 1869 CG LEU A 131 -14.400 1.616 19.808 1.00 74.33 C ATOM 1870 CD1 LEU A 131 -15.906 1.473 19.965 1.00 72.10 C ATOM 1871 CD2 LEU A 131 -14.069 2.678 18.770 1.00 51.13 C ATOM 0 H LEU A 131 -11.741 0.050 20.667 1.00 64.21 H new ATOM 0 HA LEU A 131 -11.912 3.000 20.766 1.00 3.34 H new ATOM 0 HB2 LEU A 131 -14.060 1.209 21.880 1.00 15.33 H new ATOM 0 HB3 LEU A 131 -14.142 2.915 21.487 1.00 15.33 H new ATOM 0 HG LEU A 131 -13.999 0.663 19.464 1.00 74.33 H new ATOM 0 HD11 LEU A 131 -16.351 1.231 19.000 1.00 72.10 H new ATOM 0 HD12 LEU A 131 -16.124 0.675 20.675 1.00 72.10 H new ATOM 0 HD13 LEU A 131 -16.324 2.410 20.333 1.00 72.10 H new ATOM 0 HD21 LEU A 131 -14.540 2.419 17.822 1.00 51.13 H new ATOM 0 HD22 LEU A 131 -14.441 3.645 19.108 1.00 51.13 H new ATOM 0 HD23 LEU A 131 -12.989 2.731 18.636 1.00 51.13 H new ATOM 1883 N ASP A 132 -10.542 1.261 22.724 1.00 22.41 N ATOM 1884 CA ASP A 132 -9.933 1.065 24.035 1.00 42.24 C ATOM 1885 C ASP A 132 -9.086 2.272 24.426 1.00 42.23 C ATOM 1886 O ASP A 132 -7.923 2.380 24.036 1.00 40.20 O ATOM 1887 CB ASP A 132 -9.073 -0.199 24.038 1.00 63.55 C ATOM 1888 CG ASP A 132 -9.597 -1.254 24.992 1.00 72.20 C ATOM 1889 OD1 ASP A 132 -10.831 -1.430 25.061 1.00 14.23 O ATOM 1890 OD2 ASP A 132 -8.773 -1.903 25.670 1.00 34.42 O ATOM 0 H ASP A 132 -10.005 0.875 21.948 1.00 22.41 H new ATOM 0 HA ASP A 132 -10.733 0.952 24.767 1.00 42.24 H new ATOM 0 HB2 ASP A 132 -9.035 -0.612 23.030 1.00 63.55 H new ATOM 0 HB3 ASP A 132 -8.051 0.061 24.314 1.00 63.55 H new ATOM 1895 N PHE A 133 -9.677 3.178 25.197 1.00 0.43 N ATOM 1896 CA PHE A 133 -8.978 4.379 25.639 1.00 4.25 C ATOM 1897 C PHE A 133 -7.642 4.024 26.286 1.00 32.35 C ATOM 1898 O PHE A 133 -6.636 4.696 26.065 1.00 24.12 O ATOM 1899 CB PHE A 133 -9.843 5.164 26.627 1.00 1.34 C ATOM 1900 CG PHE A 133 -10.703 6.208 25.974 1.00 45.05 C ATOM 1901 CD1 PHE A 133 -10.187 7.457 25.668 1.00 11.32 C ATOM 1902 CD2 PHE A 133 -12.026 5.940 25.665 1.00 74.13 C ATOM 1903 CE1 PHE A 133 -10.975 8.420 25.066 1.00 33.11 C ATOM 1904 CE2 PHE A 133 -12.819 6.898 25.062 1.00 13.32 C ATOM 1905 CZ PHE A 133 -12.294 8.140 24.764 1.00 45.23 C ATOM 0 H PHE A 133 -10.639 3.104 25.529 1.00 0.43 H new ATOM 0 HA PHE A 133 -8.785 4.999 24.764 1.00 4.25 H new ATOM 0 HB2 PHE A 133 -10.481 4.468 27.171 1.00 1.34 H new ATOM 0 HB3 PHE A 133 -9.196 5.645 27.361 1.00 1.34 H new ATOM 0 HD1 PHE A 133 -9.157 7.681 25.903 1.00 11.32 H new ATOM 0 HD2 PHE A 133 -12.443 4.971 25.898 1.00 74.13 H new ATOM 0 HE1 PHE A 133 -10.561 9.389 24.832 1.00 33.11 H new ATOM 0 HE2 PHE A 133 -13.849 6.675 24.824 1.00 13.32 H new ATOM 0 HZ PHE A 133 -12.913 8.891 24.296 1.00 45.23 H new ATOM 1915 N GLU A 134 -7.643 2.963 27.087 1.00 33.53 N ATOM 1916 CA GLU A 134 -6.432 2.519 27.768 1.00 73.44 C ATOM 1917 C GLU A 134 -5.323 2.219 26.764 1.00 61.04 C ATOM 1918 O GLU A 134 -4.142 2.398 27.058 1.00 65.14 O ATOM 1919 CB GLU A 134 -6.721 1.275 28.611 1.00 13.11 C ATOM 1920 CG GLU A 134 -6.312 1.419 30.067 1.00 22.33 C ATOM 1921 CD GLU A 134 -6.288 0.092 30.800 1.00 34.53 C ATOM 1922 OE1 GLU A 134 -5.252 -0.603 30.739 1.00 54.24 O ATOM 1923 OE2 GLU A 134 -7.307 -0.252 31.436 1.00 21.32 O ATOM 0 H GLU A 134 -8.468 2.395 27.280 1.00 33.53 H new ATOM 0 HA GLU A 134 -6.098 3.324 28.423 1.00 73.44 H new ATOM 0 HB2 GLU A 134 -7.787 1.053 28.562 1.00 13.11 H new ATOM 0 HB3 GLU A 134 -6.197 0.423 28.178 1.00 13.11 H new ATOM 0 HG2 GLU A 134 -5.324 1.877 30.119 1.00 22.33 H new ATOM 0 HG3 GLU A 134 -7.004 2.095 30.570 1.00 22.33 H new ATOM 1930 N GLU A 135 -5.713 1.762 25.578 1.00 34.40 N ATOM 1931 CA GLU A 135 -4.752 1.436 24.531 1.00 22.33 C ATOM 1932 C GLU A 135 -4.079 2.698 23.998 1.00 33.44 C ATOM 1933 O GLU A 135 -2.864 2.731 23.805 1.00 4.11 O ATOM 1934 CB GLU A 135 -5.443 0.691 23.387 1.00 22.22 C ATOM 1935 CG GLU A 135 -4.477 0.108 22.369 1.00 21.25 C ATOM 1936 CD GLU A 135 -3.914 -1.232 22.801 1.00 64.41 C ATOM 1937 OE1 GLU A 135 -3.791 -1.460 24.023 1.00 52.44 O ATOM 1938 OE2 GLU A 135 -3.595 -2.054 21.916 1.00 75.12 O ATOM 0 H GLU A 135 -6.688 1.609 25.318 1.00 34.40 H new ATOM 0 HA GLU A 135 -3.987 0.792 24.964 1.00 22.33 H new ATOM 0 HB2 GLU A 135 -6.049 -0.114 23.803 1.00 22.22 H new ATOM 0 HB3 GLU A 135 -6.124 1.374 22.879 1.00 22.22 H new ATOM 0 HG2 GLU A 135 -4.988 -0.008 21.413 1.00 21.25 H new ATOM 0 HG3 GLU A 135 -3.657 0.808 22.209 1.00 21.25 H new ATOM 1945 N ILE A 136 -4.879 3.732 23.763 1.00 43.43 N ATOM 1946 CA ILE A 136 -4.361 4.996 23.253 1.00 53.12 C ATOM 1947 C ILE A 136 -3.434 5.659 24.266 1.00 54.42 C ATOM 1948 O ILE A 136 -2.341 6.107 23.922 1.00 42.54 O ATOM 1949 CB ILE A 136 -5.501 5.971 22.902 1.00 72.40 C ATOM 1950 CG1 ILE A 136 -6.413 5.361 21.835 1.00 24.40 C ATOM 1951 CG2 ILE A 136 -4.934 7.299 22.425 1.00 12.43 C ATOM 1952 CD1 ILE A 136 -7.617 6.216 21.509 1.00 71.54 C ATOM 0 H ILE A 136 -5.887 3.720 23.917 1.00 43.43 H new ATOM 0 HA ILE A 136 -3.800 4.765 22.348 1.00 53.12 H new ATOM 0 HB ILE A 136 -6.093 6.152 23.799 1.00 72.40 H new ATOM 0 HG12 ILE A 136 -5.836 5.199 20.925 1.00 24.40 H new ATOM 0 HG13 ILE A 136 -6.753 4.383 22.175 1.00 24.40 H new ATOM 0 HG21 ILE A 136 -5.752 7.977 22.181 1.00 12.43 H new ATOM 0 HG22 ILE A 136 -4.322 7.737 23.213 1.00 12.43 H new ATOM 0 HG23 ILE A 136 -4.321 7.136 21.538 1.00 12.43 H new ATOM 0 HD11 ILE A 136 -8.218 5.722 20.746 1.00 71.54 H new ATOM 0 HD12 ILE A 136 -8.217 6.358 22.408 1.00 71.54 H new ATOM 0 HD13 ILE A 136 -7.285 7.186 21.138 1.00 71.54 H new ATOM 1964 N SER A 137 -3.879 5.717 25.517 1.00 24.03 N ATOM 1965 CA SER A 137 -3.090 6.327 26.581 1.00 2.31 C ATOM 1966 C SER A 137 -1.784 5.567 26.794 1.00 51.24 C ATOM 1967 O SER A 137 -0.732 6.168 27.012 1.00 61.03 O ATOM 1968 CB SER A 137 -3.891 6.361 27.884 1.00 52.12 C ATOM 1969 OG SER A 137 -3.947 5.077 28.482 1.00 54.55 O ATOM 0 H SER A 137 -4.781 5.349 25.819 1.00 24.03 H new ATOM 0 HA SER A 137 -2.852 7.348 26.282 1.00 2.31 H new ATOM 0 HB2 SER A 137 -3.435 7.069 28.576 1.00 52.12 H new ATOM 0 HB3 SER A 137 -4.902 6.717 27.684 1.00 52.12 H new ATOM 0 HG SER A 137 -4.136 4.404 27.795 1.00 54.55 H new ATOM 1975 N ARG A 138 -1.861 4.242 26.728 1.00 2.02 N ATOM 1976 CA ARG A 138 -0.686 3.399 26.915 1.00 73.45 C ATOM 1977 C ARG A 138 0.300 3.579 25.765 1.00 64.14 C ATOM 1978 O ARG A 138 1.515 3.547 25.963 1.00 20.13 O ATOM 1979 CB ARG A 138 -1.099 1.929 27.021 1.00 2.41 C ATOM 1980 CG ARG A 138 0.069 0.984 27.250 1.00 61.13 C ATOM 1981 CD ARG A 138 0.551 0.368 25.945 1.00 34.25 C ATOM 1982 NE ARG A 138 0.277 -1.065 25.883 1.00 31.42 N ATOM 1983 CZ ARG A 138 0.291 -1.768 24.756 1.00 54.10 C ATOM 1984 NH1 ARG A 138 0.564 -1.173 23.603 1.00 13.42 N ATOM 1985 NH2 ARG A 138 0.031 -3.069 24.780 1.00 23.04 N ATOM 0 H ARG A 138 -2.724 3.729 26.547 1.00 2.02 H new ATOM 0 HA ARG A 138 -0.197 3.700 27.841 1.00 73.45 H new ATOM 0 HB2 ARG A 138 -1.811 1.818 27.839 1.00 2.41 H new ATOM 0 HB3 ARG A 138 -1.617 1.639 26.107 1.00 2.41 H new ATOM 0 HG2 ARG A 138 0.889 1.525 27.723 1.00 61.13 H new ATOM 0 HG3 ARG A 138 -0.231 0.193 27.938 1.00 61.13 H new ATOM 0 HD2 ARG A 138 0.064 0.867 25.107 1.00 34.25 H new ATOM 0 HD3 ARG A 138 1.622 0.537 25.838 1.00 34.25 H new ATOM 0 HE ARG A 138 0.063 -1.553 26.753 1.00 31.42 H new ATOM 0 HH11 ARG A 138 0.764 -0.173 23.580 1.00 13.42 H new ATOM 0 HH12 ARG A 138 0.574 -1.715 22.739 1.00 13.42 H new ATOM 0 HH21 ARG A 138 -0.180 -3.531 25.665 1.00 23.04 H new ATOM 0 HH22 ARG A 138 0.042 -3.607 23.914 1.00 23.04 H new ATOM 1999 N LYS A 139 -0.230 3.768 24.561 1.00 21.11 N ATOM 2000 CA LYS A 139 0.602 3.954 23.378 1.00 3.14 C ATOM 2001 C LYS A 139 1.364 5.274 23.451 1.00 31.33 C ATOM 2002 O LYS A 139 2.573 5.318 23.224 1.00 21.53 O ATOM 2003 CB LYS A 139 -0.258 3.919 22.113 1.00 31.23 C ATOM 2004 CG LYS A 139 -0.660 2.517 21.690 1.00 31.40 C ATOM 2005 CD LYS A 139 0.390 1.882 20.793 1.00 12.31 C ATOM 2006 CE LYS A 139 -0.245 1.186 19.599 1.00 65.20 C ATOM 2007 NZ LYS A 139 0.304 -0.184 19.400 1.00 64.10 N ATOM 0 H LYS A 139 -1.233 3.796 24.379 1.00 21.11 H new ATOM 0 HA LYS A 139 1.324 3.139 23.341 1.00 3.14 H new ATOM 0 HB2 LYS A 139 -1.158 4.511 22.279 1.00 31.23 H new ATOM 0 HB3 LYS A 139 0.290 4.392 21.298 1.00 31.23 H new ATOM 0 HG2 LYS A 139 -0.807 1.897 22.575 1.00 31.40 H new ATOM 0 HG3 LYS A 139 -1.614 2.554 21.165 1.00 31.40 H new ATOM 0 HD2 LYS A 139 1.083 2.648 20.443 1.00 12.31 H new ATOM 0 HD3 LYS A 139 0.974 1.162 21.367 1.00 12.31 H new ATOM 0 HE2 LYS A 139 -1.324 1.128 19.744 1.00 65.20 H new ATOM 0 HE3 LYS A 139 -0.076 1.779 18.700 1.00 65.20 H new ATOM 0 HZ1 LYS A 139 -0.154 -0.625 18.577 1.00 64.10 H new ATOM 0 HZ2 LYS A 139 1.329 -0.127 19.236 1.00 64.10 H new ATOM 0 HZ3 LYS A 139 0.120 -0.758 20.247 1.00 64.10 H new ATOM 2021 N VAL A 140 0.649 6.348 23.771 1.00 72.32 N ATOM 2022 CA VAL A 140 1.258 7.668 23.876 1.00 11.23 C ATOM 2023 C VAL A 140 2.209 7.741 25.066 1.00 54.41 C ATOM 2024 O VAL A 140 3.265 8.370 24.993 1.00 31.23 O ATOM 2025 CB VAL A 140 0.190 8.769 24.018 1.00 42.20 C ATOM 2026 CG1 VAL A 140 -0.678 8.517 25.241 1.00 2.24 C ATOM 2027 CG2 VAL A 140 0.846 10.140 24.092 1.00 34.02 C ATOM 0 H VAL A 140 -0.353 6.329 23.962 1.00 72.32 H new ATOM 0 HA VAL A 140 1.819 7.832 22.956 1.00 11.23 H new ATOM 0 HB VAL A 140 -0.451 8.745 23.137 1.00 42.20 H new ATOM 0 HG11 VAL A 140 -1.426 9.305 25.325 1.00 2.24 H new ATOM 0 HG12 VAL A 140 -1.176 7.553 25.141 1.00 2.24 H new ATOM 0 HG13 VAL A 140 -0.054 8.512 26.135 1.00 2.24 H new ATOM 0 HG21 VAL A 140 0.077 10.906 24.192 1.00 34.02 H new ATOM 0 HG22 VAL A 140 1.512 10.179 24.954 1.00 34.02 H new ATOM 0 HG23 VAL A 140 1.420 10.318 23.183 1.00 34.02 H new ATOM 2037 N LYS A 141 1.827 7.094 26.162 1.00 61.03 N ATOM 2038 CA LYS A 141 2.646 7.083 27.368 1.00 35.04 C ATOM 2039 C LYS A 141 3.946 6.320 27.137 1.00 51.01 C ATOM 2040 O LYS A 141 4.963 6.602 27.770 1.00 42.21 O ATOM 2041 CB LYS A 141 1.872 6.453 28.528 1.00 34.35 C ATOM 2042 CG LYS A 141 2.541 6.640 29.879 1.00 14.41 C ATOM 2043 CD LYS A 141 2.148 5.542 30.853 1.00 0.43 C ATOM 2044 CE LYS A 141 3.011 4.303 30.673 1.00 21.05 C ATOM 2045 NZ LYS A 141 4.101 4.234 31.686 1.00 41.42 N ATOM 0 H LYS A 141 0.955 6.570 26.240 1.00 61.03 H new ATOM 0 HA LYS A 141 2.891 8.115 27.620 1.00 35.04 H new ATOM 0 HB2 LYS A 141 0.872 6.886 28.564 1.00 34.35 H new ATOM 0 HB3 LYS A 141 1.751 5.387 28.336 1.00 34.35 H new ATOM 0 HG2 LYS A 141 3.624 6.645 29.752 1.00 14.41 H new ATOM 0 HG3 LYS A 141 2.264 7.610 30.292 1.00 14.41 H new ATOM 0 HD2 LYS A 141 2.245 5.909 31.875 1.00 0.43 H new ATOM 0 HD3 LYS A 141 1.100 5.281 30.706 1.00 0.43 H new ATOM 0 HE2 LYS A 141 2.388 3.412 30.749 1.00 21.05 H new ATOM 0 HE3 LYS A 141 3.444 4.304 29.673 1.00 21.05 H new ATOM 0 HZ1 LYS A 141 4.667 3.375 31.529 1.00 41.42 H new ATOM 0 HZ2 LYS A 141 4.711 5.072 31.597 1.00 41.42 H new ATOM 0 HZ3 LYS A 141 3.687 4.207 32.640 1.00 41.42 H new ATOM 2059 N SER A 142 3.906 5.354 26.225 1.00 34.31 N ATOM 2060 CA SER A 142 5.080 4.549 25.912 1.00 65.21 C ATOM 2061 C SER A 142 5.914 5.207 24.817 1.00 51.32 C ATOM 2062 O SER A 142 7.136 5.070 24.785 1.00 70.15 O ATOM 2063 CB SER A 142 4.661 3.144 25.474 1.00 14.31 C ATOM 2064 OG SER A 142 5.783 2.378 25.073 1.00 42.35 O ATOM 0 H SER A 142 3.073 5.110 25.690 1.00 34.31 H new ATOM 0 HA SER A 142 5.688 4.474 26.813 1.00 65.21 H new ATOM 0 HB2 SER A 142 4.149 2.642 26.295 1.00 14.31 H new ATOM 0 HB3 SER A 142 3.951 3.213 24.650 1.00 14.31 H new ATOM 0 HG SER A 142 5.488 1.484 24.799 1.00 42.35 H new ATOM 2070 N ASN A 143 5.242 5.923 23.921 1.00 44.23 N ATOM 2071 CA ASN A 143 5.920 6.603 22.823 1.00 51.33 C ATOM 2072 C ASN A 143 6.742 5.618 21.997 1.00 1.33 C ATOM 2073 O ASN A 143 7.772 5.978 21.427 1.00 2.55 O ATOM 2074 CB ASN A 143 6.825 7.713 23.363 1.00 35.31 C ATOM 2075 CG ASN A 143 6.077 8.686 24.254 1.00 31.44 C ATOM 2076 OD1 ASN A 143 5.512 9.671 23.780 1.00 41.12 O ATOM 2077 ND2 ASN A 143 6.071 8.412 25.554 1.00 53.21 N ATOM 0 H ASN A 143 4.230 6.047 23.934 1.00 44.23 H new ATOM 0 HA ASN A 143 5.160 7.045 22.178 1.00 51.33 H new ATOM 0 HB2 ASN A 143 7.646 7.268 23.925 1.00 35.31 H new ATOM 0 HB3 ASN A 143 7.268 8.256 22.528 1.00 35.31 H new ATOM 0 HD21 ASN A 143 5.584 9.030 26.203 1.00 53.21 H new ATOM 0 HD22 ASN A 143 6.553 7.584 25.903 1.00 53.21 H new ATOM 2084 N ARG A 144 6.279 4.374 21.937 1.00 20.04 N ATOM 2085 CA ARG A 144 6.971 3.337 21.182 1.00 24.44 C ATOM 2086 C ARG A 144 8.419 3.202 21.645 1.00 43.53 C ATOM 2087 O ARG A 144 8.711 2.489 22.605 1.00 70.14 O ATOM 2088 CB ARG A 144 6.930 3.651 19.686 1.00 53.51 C ATOM 2089 CG ARG A 144 6.013 2.732 18.895 1.00 0.24 C ATOM 2090 CD ARG A 144 5.502 3.407 17.632 1.00 63.11 C ATOM 2091 NE ARG A 144 5.744 2.595 16.442 1.00 4.50 N ATOM 2092 CZ ARG A 144 5.050 1.503 16.144 1.00 61.12 C ATOM 2093 NH1 ARG A 144 4.076 1.094 16.944 1.00 34.33 N ATOM 2094 NH2 ARG A 144 5.330 0.818 15.043 1.00 72.45 N ATOM 0 H ARG A 144 5.427 4.060 22.402 1.00 20.04 H new ATOM 0 HA ARG A 144 6.460 2.391 21.361 1.00 24.44 H new ATOM 0 HB2 ARG A 144 6.604 4.682 19.549 1.00 53.51 H new ATOM 0 HB3 ARG A 144 7.939 3.580 19.281 1.00 53.51 H new ATOM 0 HG2 ARG A 144 6.550 1.821 18.630 1.00 0.24 H new ATOM 0 HG3 ARG A 144 5.169 2.435 19.517 1.00 0.24 H new ATOM 0 HD2 ARG A 144 4.433 3.598 17.730 1.00 63.11 H new ATOM 0 HD3 ARG A 144 5.989 4.375 17.516 1.00 63.11 H new ATOM 0 HE ARG A 144 6.487 2.883 15.805 1.00 4.50 H new ATOM 0 HH11 ARG A 144 3.858 1.618 17.791 1.00 34.33 H new ATOM 0 HH12 ARG A 144 3.544 0.255 16.713 1.00 34.33 H new ATOM 0 HH21 ARG A 144 6.079 1.130 14.425 1.00 72.45 H new ATOM 0 HH22 ARG A 144 4.796 -0.021 14.815 1.00 72.45 H new