USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 836 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 70 SER OG : rot -131:sc= -0.0603 USER MOD Set 1.2: A 75 GLN : amide:sc= -0.0511 K(o=-0.11,f=-3.9!) USER MOD Set 2.1: A 20 CYS SG : rot 180:sc= -0.718 USER MOD Set 2.2: A 44 ASN : amide:sc= -5.37! C(o=-6!,f=-7.6!) USER MOD Set 2.3: A 55 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 3 GLN : amide:sc= -0.0949 X(o=-0.095,f=-0.19) USER MOD Single : A 5 LYS NZ :NH3+ -134:sc= 0.102 (180deg=-0.247) USER MOD Single : A 8 CYS SG : rot 73:sc=4.56e-05 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0542) USER MOD Single : A 17 THR OG1 : rot -130:sc= -0.0835 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.554 F(o=-1.4,f=-0.55) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.0635 X(o=0.063,f=-0.14) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -111:sc= 0.00216 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0388 USER MOD Single : A 62 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.042) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -152:sc= 0.164 USER MOD Single : A 84 CYS SG : rot 160:sc= -1.21 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 90:sc= 1.01 USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.18) USER MOD Single : A 94 HIS : no HE2:sc= 0.0357 K(o=0.036,f=-3.4!) USER MOD Single : A 95 TYR OH : rot -164:sc= 1.12 USER MOD Single : A 100 LYS NZ :NH3+ -171:sc= 0.81 (180deg=0.6) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -16.545 6.182 5.803 1.00 0.00 N ATOM 29 CA GLN A 3 -16.159 6.653 4.472 1.00 0.00 C ATOM 30 C GLN A 3 -15.416 5.574 3.685 1.00 0.00 C ATOM 31 O GLN A 3 -14.396 5.847 3.053 1.00 0.00 O ATOM 32 CB GLN A 3 -15.304 7.922 4.575 1.00 0.00 C ATOM 33 CG GLN A 3 -16.008 9.067 5.285 1.00 0.00 C ATOM 34 CD GLN A 3 -17.322 9.438 4.627 1.00 0.00 C ATOM 35 OE1 GLN A 3 -18.373 8.881 4.953 1.00 0.00 O ATOM 36 NE2 GLN A 3 -17.275 10.381 3.702 1.00 0.00 N ATOM 0 HA GLN A 3 -17.075 6.888 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.381 7.688 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -15.022 8.244 3.572 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -16.191 8.789 6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -15.354 9.939 5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.384 10.816 3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -18.130 10.673 3.228 1.00 0.00 H new ATOM 45 N TRP A 4 -15.941 4.352 3.718 1.00 0.00 N ATOM 46 CA TRP A 4 -15.384 3.265 2.919 1.00 0.00 C ATOM 47 C TRP A 4 -15.667 3.506 1.443 1.00 0.00 C ATOM 48 O TRP A 4 -16.809 3.385 1.000 1.00 0.00 O ATOM 49 CB TRP A 4 -15.983 1.908 3.311 1.00 0.00 C ATOM 50 CG TRP A 4 -15.599 1.416 4.670 1.00 0.00 C ATOM 51 CD1 TRP A 4 -16.345 1.490 5.807 1.00 0.00 C ATOM 52 CD2 TRP A 4 -14.383 0.749 5.031 1.00 0.00 C ATOM 53 NE1 TRP A 4 -15.669 0.915 6.854 1.00 0.00 N ATOM 54 CE2 TRP A 4 -14.462 0.452 6.404 1.00 0.00 C ATOM 55 CE3 TRP A 4 -13.236 0.373 4.327 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -13.439 -0.199 7.087 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -12.220 -0.274 5.007 1.00 0.00 C ATOM 58 CH2 TRP A 4 -12.328 -0.556 6.374 1.00 0.00 C ATOM 0 H TRP A 4 -16.747 4.091 4.286 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.310 3.244 3.106 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -17.069 1.979 3.261 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.678 1.166 2.573 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -17.326 1.936 5.875 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -16.011 0.844 7.812 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -13.144 0.584 3.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -13.520 -0.415 8.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -11.328 -0.567 4.474 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -11.518 -1.065 6.875 1.00 0.00 H new ATOM 69 N LYS A 5 -14.645 3.858 0.686 1.00 0.00 N ATOM 70 CA LYS A 5 -14.810 4.027 -0.746 1.00 0.00 C ATOM 71 C LYS A 5 -14.364 2.771 -1.473 1.00 0.00 C ATOM 72 O LYS A 5 -13.235 2.312 -1.294 1.00 0.00 O ATOM 73 CB LYS A 5 -14.011 5.220 -1.275 1.00 0.00 C ATOM 74 CG LYS A 5 -14.295 5.509 -2.743 1.00 0.00 C ATOM 75 CD LYS A 5 -13.232 6.391 -3.370 1.00 0.00 C ATOM 76 CE LYS A 5 -13.571 6.730 -4.816 1.00 0.00 C ATOM 77 NZ LYS A 5 -13.793 5.517 -5.654 1.00 0.00 N ATOM 0 H LYS A 5 -13.702 4.031 1.033 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.868 4.214 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.248 6.103 -0.682 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.946 5.026 -1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -14.354 4.569 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.267 5.994 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.134 7.310 -2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.267 5.885 -3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.466 7.351 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.762 7.321 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.281 5.618 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.444 4.678 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.810 5.408 -5.845 1.00 0.00 H new ATOM 91 N ASP A 6 -15.255 2.207 -2.271 1.00 0.00 N ATOM 92 CA ASP A 6 -14.899 1.092 -3.133 1.00 0.00 C ATOM 93 C ASP A 6 -13.950 1.574 -4.224 1.00 0.00 C ATOM 94 O ASP A 6 -14.126 2.659 -4.785 1.00 0.00 O ATOM 95 CB ASP A 6 -16.151 0.465 -3.757 1.00 0.00 C ATOM 96 CG ASP A 6 -16.853 1.394 -4.729 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.439 2.403 -4.275 1.00 0.00 O ATOM 98 OD2 ASP A 6 -16.828 1.121 -5.948 1.00 0.00 O ATOM 0 H ASP A 6 -16.229 2.502 -2.340 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.402 0.329 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.872 -0.452 -4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.845 0.185 -2.964 1.00 0.00 H new ATOM 103 N ILE A 7 -12.920 0.792 -4.485 1.00 0.00 N ATOM 104 CA ILE A 7 -11.961 1.119 -5.526 1.00 0.00 C ATOM 105 C ILE A 7 -12.226 0.269 -6.753 1.00 0.00 C ATOM 106 O ILE A 7 -12.650 0.768 -7.796 1.00 0.00 O ATOM 107 CB ILE A 7 -10.510 0.883 -5.054 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.246 1.613 -3.734 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.519 1.331 -6.121 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.472 3.108 -3.804 1.00 0.00 C ATOM 0 H ILE A 7 -12.724 -0.078 -3.989 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.079 2.176 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.375 -0.186 -4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.892 1.194 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.218 1.425 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.502 1.156 -5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.689 0.764 -7.036 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.656 2.394 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.265 3.553 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.807 3.542 -4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.507 3.307 -4.081 1.00 0.00 H new ATOM 122 N CYS A 8 -11.978 -1.019 -6.599 1.00 0.00 N ATOM 123 CA CYS A 8 -12.222 -2.000 -7.637 1.00 0.00 C ATOM 124 C CYS A 8 -12.345 -3.363 -6.977 1.00 0.00 C ATOM 125 O CYS A 8 -12.307 -3.458 -5.749 1.00 0.00 O ATOM 126 CB CYS A 8 -11.084 -2.000 -8.664 1.00 0.00 C ATOM 127 SG CYS A 8 -9.463 -2.412 -7.974 1.00 0.00 S ATOM 0 H CYS A 8 -11.597 -1.416 -5.740 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.141 -1.756 -8.170 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.322 -2.713 -9.454 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.029 -1.016 -9.129 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.421 -3.681 -7.693 1.00 0.00 H new ATOM 133 N LYS A 9 -12.483 -4.413 -7.764 1.00 0.00 N ATOM 134 CA LYS A 9 -12.578 -5.746 -7.201 1.00 0.00 C ATOM 135 C LYS A 9 -11.182 -6.282 -6.915 1.00 0.00 C ATOM 136 O LYS A 9 -10.220 -5.928 -7.598 1.00 0.00 O ATOM 137 CB LYS A 9 -13.336 -6.684 -8.142 1.00 0.00 C ATOM 138 CG LYS A 9 -14.723 -6.182 -8.507 1.00 0.00 C ATOM 139 CD LYS A 9 -15.504 -7.227 -9.284 1.00 0.00 C ATOM 140 CE LYS A 9 -16.810 -6.668 -9.828 1.00 0.00 C ATOM 141 NZ LYS A 9 -17.679 -6.112 -8.754 1.00 0.00 N ATOM 0 H LYS A 9 -12.531 -4.371 -8.782 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.136 -5.693 -6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.755 -6.819 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.424 -7.664 -7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.267 -5.919 -7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.638 -5.273 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.895 -7.596 -10.109 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.715 -8.079 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.593 -5.887 -10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.348 -7.456 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.614 -5.884 -9.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -17.785 -6.815 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.245 -5.249 -8.369 1.00 0.00 H new ATOM 155 N ILE A 10 -11.070 -7.122 -5.898 1.00 0.00 N ATOM 156 CA ILE A 10 -9.780 -7.677 -5.513 1.00 0.00 C ATOM 157 C ILE A 10 -9.301 -8.687 -6.554 1.00 0.00 C ATOM 158 O ILE A 10 -8.116 -9.004 -6.638 1.00 0.00 O ATOM 159 CB ILE A 10 -9.842 -8.335 -4.115 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.442 -8.759 -3.665 1.00 0.00 C ATOM 161 CG2 ILE A 10 -10.793 -9.526 -4.118 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.388 -9.280 -2.247 1.00 0.00 C ATOM 0 H ILE A 10 -11.854 -7.434 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.066 -6.855 -5.464 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.225 -7.601 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.072 -9.531 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.768 -7.907 -3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.820 -9.973 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.793 -9.192 -4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.447 -10.266 -4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.364 -9.560 -2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.726 -8.504 -1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.035 -10.152 -2.155 1.00 0.00 H new ATOM 174 N ASP A 11 -10.236 -9.157 -7.370 1.00 0.00 N ATOM 175 CA ASP A 11 -9.925 -10.082 -8.455 1.00 0.00 C ATOM 176 C ASP A 11 -9.019 -9.405 -9.481 1.00 0.00 C ATOM 177 O ASP A 11 -8.197 -10.055 -10.133 1.00 0.00 O ATOM 178 CB ASP A 11 -11.221 -10.561 -9.117 1.00 0.00 C ATOM 179 CG ASP A 11 -10.982 -11.449 -10.324 1.00 0.00 C ATOM 180 OD1 ASP A 11 -10.669 -12.643 -10.136 1.00 0.00 O ATOM 181 OD2 ASP A 11 -11.124 -10.959 -11.463 1.00 0.00 O ATOM 0 H ASP A 11 -11.223 -8.911 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.399 -10.946 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.816 -11.107 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.808 -9.694 -9.422 1.00 0.00 H new ATOM 186 N ASP A 12 -9.162 -8.090 -9.589 1.00 0.00 N ATOM 187 CA ASP A 12 -8.352 -7.287 -10.502 1.00 0.00 C ATOM 188 C ASP A 12 -6.905 -7.211 -10.025 1.00 0.00 C ATOM 189 O ASP A 12 -5.988 -6.990 -10.817 1.00 0.00 O ATOM 190 CB ASP A 12 -8.924 -5.870 -10.614 1.00 0.00 C ATOM 191 CG ASP A 12 -10.280 -5.828 -11.286 1.00 0.00 C ATOM 192 OD1 ASP A 12 -11.291 -6.140 -10.627 1.00 0.00 O ATOM 193 OD2 ASP A 12 -10.348 -5.456 -12.476 1.00 0.00 O ATOM 0 H ASP A 12 -9.839 -7.550 -9.050 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.376 -7.768 -11.480 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.006 -5.438 -9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.228 -5.247 -11.175 1.00 0.00 H new ATOM 198 N ILE A 13 -6.711 -7.392 -8.728 1.00 0.00 N ATOM 199 CA ILE A 13 -5.387 -7.308 -8.131 1.00 0.00 C ATOM 200 C ILE A 13 -4.858 -8.701 -7.832 1.00 0.00 C ATOM 201 O ILE A 13 -5.323 -9.369 -6.906 1.00 0.00 O ATOM 202 CB ILE A 13 -5.404 -6.480 -6.827 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.133 -5.151 -7.047 1.00 0.00 C ATOM 204 CG2 ILE A 13 -3.979 -6.229 -6.345 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.327 -4.347 -5.778 1.00 0.00 C ATOM 0 H ILE A 13 -7.458 -7.599 -8.065 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.735 -6.809 -8.848 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.938 -7.045 -6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.571 -4.552 -7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.107 -5.350 -7.493 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.004 -5.644 -5.425 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.486 -7.182 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.428 -5.680 -7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.850 -3.419 -6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.916 -4.926 -5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.355 -4.116 -5.342 1.00 0.00 H new ATOM 217 N LEU A 14 -3.908 -9.149 -8.637 1.00 0.00 N ATOM 218 CA LEU A 14 -3.290 -10.453 -8.440 1.00 0.00 C ATOM 219 C LEU A 14 -2.393 -10.425 -7.204 1.00 0.00 C ATOM 220 O LEU A 14 -1.977 -9.353 -6.764 1.00 0.00 O ATOM 221 CB LEU A 14 -2.468 -10.838 -9.677 1.00 0.00 C ATOM 222 CG LEU A 14 -3.248 -10.904 -10.992 1.00 0.00 C ATOM 223 CD1 LEU A 14 -2.308 -11.196 -12.152 1.00 0.00 C ATOM 224 CD2 LEU A 14 -4.343 -11.959 -10.917 1.00 0.00 C ATOM 0 H LEU A 14 -3.546 -8.628 -9.436 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.073 -11.196 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.657 -10.118 -9.791 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.008 -11.810 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.718 -9.935 -11.160 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.878 -11.240 -13.080 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.560 -10.406 -12.222 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.811 -12.152 -11.986 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.885 -11.989 -11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.896 -12.934 -10.724 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.033 -11.710 -10.111 1.00 0.00 H new ATOM 236 N PRO A 15 -2.102 -11.592 -6.612 1.00 0.00 N ATOM 237 CA PRO A 15 -1.161 -11.688 -5.494 1.00 0.00 C ATOM 238 C PRO A 15 0.219 -11.164 -5.884 1.00 0.00 C ATOM 239 O PRO A 15 0.653 -11.348 -7.022 1.00 0.00 O ATOM 240 CB PRO A 15 -1.110 -13.190 -5.188 1.00 0.00 C ATOM 241 CG PRO A 15 -2.373 -13.737 -5.757 1.00 0.00 C ATOM 242 CD PRO A 15 -2.670 -12.901 -6.969 1.00 0.00 C ATOM 0 HA PRO A 15 -1.469 -11.091 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.236 -13.657 -5.643 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.047 -13.373 -4.115 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.259 -14.787 -6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.186 -13.679 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.207 -13.311 -7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.741 -12.837 -7.164 1.00 0.00 H new ATOM 250 N GLU A 16 0.875 -10.487 -4.939 1.00 0.00 N ATOM 251 CA GLU A 16 2.202 -9.898 -5.151 1.00 0.00 C ATOM 252 C GLU A 16 2.125 -8.703 -6.108 1.00 0.00 C ATOM 253 O GLU A 16 3.118 -8.333 -6.734 1.00 0.00 O ATOM 254 CB GLU A 16 3.187 -10.949 -5.680 1.00 0.00 C ATOM 255 CG GLU A 16 3.446 -12.089 -4.706 1.00 0.00 C ATOM 256 CD GLU A 16 4.337 -11.684 -3.551 1.00 0.00 C ATOM 257 OE1 GLU A 16 3.840 -11.050 -2.598 1.00 0.00 O ATOM 258 OE2 GLU A 16 5.544 -12.019 -3.587 1.00 0.00 O ATOM 0 H GLU A 16 0.501 -10.331 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 16 2.567 -9.540 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.800 -11.360 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.133 -10.462 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.495 -12.450 -4.315 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.907 -12.920 -5.240 1.00 0.00 H new ATOM 265 N THR A 17 0.952 -8.079 -6.188 1.00 0.00 N ATOM 266 CA THR A 17 0.755 -6.943 -7.084 1.00 0.00 C ATOM 267 C THR A 17 0.335 -5.692 -6.310 1.00 0.00 C ATOM 268 O THR A 17 -0.399 -5.773 -5.320 1.00 0.00 O ATOM 269 CB THR A 17 -0.316 -7.252 -8.155 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.073 -8.537 -8.735 1.00 0.00 O ATOM 271 CG2 THR A 17 -0.321 -6.197 -9.255 1.00 0.00 C ATOM 0 H THR A 17 0.128 -8.339 -5.646 1.00 0.00 H new ATOM 0 HA THR A 17 1.711 -6.759 -7.574 1.00 0.00 H new ATOM 0 HB THR A 17 -1.289 -7.245 -7.663 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.086 -8.463 -9.712 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.085 -6.444 -9.992 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.537 -5.220 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.655 -6.171 -9.739 1.00 0.00 H new ATOM 279 N GLY A 18 0.815 -4.541 -6.766 1.00 0.00 N ATOM 280 CA GLY A 18 0.420 -3.277 -6.179 1.00 0.00 C ATOM 281 C GLY A 18 -0.177 -2.349 -7.215 1.00 0.00 C ATOM 282 O GLY A 18 0.262 -2.336 -8.366 1.00 0.00 O ATOM 0 H GLY A 18 1.476 -4.462 -7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.306 -3.454 -5.385 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.286 -2.802 -5.719 1.00 0.00 H new ATOM 286 N VAL A 19 -1.181 -1.580 -6.816 1.00 0.00 N ATOM 287 CA VAL A 19 -1.880 -0.686 -7.735 1.00 0.00 C ATOM 288 C VAL A 19 -2.091 0.692 -7.109 1.00 0.00 C ATOM 289 O VAL A 19 -1.772 0.907 -5.937 1.00 0.00 O ATOM 290 CB VAL A 19 -3.252 -1.260 -8.160 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.083 -2.540 -8.968 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.136 -1.511 -6.946 1.00 0.00 C ATOM 0 H VAL A 19 -1.532 -1.556 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.248 -0.592 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.740 -0.519 -8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.063 -2.922 -9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.500 -2.330 -9.865 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.565 -3.285 -8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.095 -1.914 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.648 -2.225 -6.282 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.298 -0.574 -6.414 1.00 0.00 H new ATOM 302 N CYS A 20 -2.628 1.616 -7.894 1.00 0.00 N ATOM 303 CA CYS A 20 -2.894 2.968 -7.426 1.00 0.00 C ATOM 304 C CYS A 20 -4.397 3.199 -7.295 1.00 0.00 C ATOM 305 O CYS A 20 -5.183 2.695 -8.098 1.00 0.00 O ATOM 306 CB CYS A 20 -2.286 3.994 -8.389 1.00 0.00 C ATOM 307 SG CYS A 20 -2.560 5.720 -7.913 1.00 0.00 S ATOM 0 H CYS A 20 -2.890 1.451 -8.866 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.434 3.091 -6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.213 3.816 -8.461 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.703 3.833 -9.383 1.00 0.00 H new ATOM 0 HG CYS A 20 -2.006 6.505 -8.789 1.00 0.00 H new ATOM 313 N ALA A 21 -4.787 3.951 -6.277 1.00 0.00 N ATOM 314 CA ALA A 21 -6.184 4.273 -6.046 1.00 0.00 C ATOM 315 C ALA A 21 -6.332 5.714 -5.575 1.00 0.00 C ATOM 316 O ALA A 21 -5.371 6.321 -5.097 1.00 0.00 O ATOM 317 CB ALA A 21 -6.780 3.323 -5.019 1.00 0.00 C ATOM 0 H ALA A 21 -4.147 4.353 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.723 4.160 -6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.828 3.575 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.706 2.299 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.234 3.413 -4.080 1.00 0.00 H new ATOM 323 N LEU A 22 -7.531 6.258 -5.707 1.00 0.00 N ATOM 324 CA LEU A 22 -7.808 7.614 -5.257 1.00 0.00 C ATOM 325 C LEU A 22 -8.816 7.615 -4.119 1.00 0.00 C ATOM 326 O LEU A 22 -9.927 7.100 -4.256 1.00 0.00 O ATOM 327 CB LEU A 22 -8.322 8.478 -6.410 1.00 0.00 C ATOM 328 CG LEU A 22 -7.237 9.146 -7.255 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.857 9.884 -8.432 1.00 0.00 C ATOM 330 CD2 LEU A 22 -6.424 10.107 -6.402 1.00 0.00 C ATOM 0 H LEU A 22 -8.330 5.780 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.872 8.038 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.937 7.858 -7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.971 9.253 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.574 8.372 -7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.070 10.353 -9.022 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.406 9.178 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.539 10.650 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.655 10.576 -7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.080 10.875 -5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.953 9.560 -5.585 1.00 0.00 H new ATOM 342 N LEU A 23 -8.418 8.187 -2.995 1.00 0.00 N ATOM 343 CA LEU A 23 -9.299 8.331 -1.854 1.00 0.00 C ATOM 344 C LEU A 23 -9.391 9.806 -1.487 1.00 0.00 C ATOM 345 O LEU A 23 -8.464 10.371 -0.909 1.00 0.00 O ATOM 346 CB LEU A 23 -8.782 7.482 -0.678 1.00 0.00 C ATOM 347 CG LEU A 23 -9.702 7.385 0.548 1.00 0.00 C ATOM 348 CD1 LEU A 23 -9.380 6.134 1.348 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.553 8.605 1.438 1.00 0.00 C ATOM 0 H LEU A 23 -7.480 8.562 -2.850 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.298 7.971 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.591 6.473 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.825 7.891 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.731 7.335 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.039 6.077 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.526 5.254 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.343 6.173 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.215 8.511 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.521 8.681 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.815 9.501 0.875 1.00 0.00 H new ATOM 361 N GLY A 24 -10.498 10.431 -1.863 1.00 0.00 N ATOM 362 CA GLY A 24 -10.664 11.852 -1.631 1.00 0.00 C ATOM 363 C GLY A 24 -9.754 12.667 -2.523 1.00 0.00 C ATOM 364 O GLY A 24 -10.041 12.862 -3.703 1.00 0.00 O ATOM 0 H GLY A 24 -11.286 9.978 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.701 12.133 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.451 12.079 -0.586 1.00 0.00 H new ATOM 368 N ASP A 25 -8.650 13.132 -1.961 1.00 0.00 N ATOM 369 CA ASP A 25 -7.645 13.862 -2.725 1.00 0.00 C ATOM 370 C ASP A 25 -6.292 13.182 -2.586 1.00 0.00 C ATOM 371 O ASP A 25 -5.329 13.528 -3.277 1.00 0.00 O ATOM 372 CB ASP A 25 -7.556 15.325 -2.265 1.00 0.00 C ATOM 373 CG ASP A 25 -7.186 15.468 -0.800 1.00 0.00 C ATOM 374 OD1 ASP A 25 -8.102 15.432 0.056 1.00 0.00 O ATOM 375 OD2 ASP A 25 -5.985 15.629 -0.494 1.00 0.00 O ATOM 0 H ASP A 25 -8.424 13.017 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.941 13.857 -3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.816 15.846 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.514 15.814 -2.441 1.00 0.00 H new ATOM 380 N GLU A 26 -6.238 12.195 -1.706 1.00 0.00 N ATOM 381 CA GLU A 26 -5.008 11.477 -1.422 1.00 0.00 C ATOM 382 C GLU A 26 -4.892 10.232 -2.293 1.00 0.00 C ATOM 383 O GLU A 26 -5.826 9.430 -2.390 1.00 0.00 O ATOM 384 CB GLU A 26 -4.959 11.105 0.061 1.00 0.00 C ATOM 385 CG GLU A 26 -4.721 12.300 0.970 1.00 0.00 C ATOM 386 CD GLU A 26 -5.214 12.081 2.386 1.00 0.00 C ATOM 387 OE1 GLU A 26 -4.661 11.210 3.095 1.00 0.00 O ATOM 388 OE2 GLU A 26 -6.151 12.799 2.800 1.00 0.00 O ATOM 0 H GLU A 26 -7.043 11.871 -1.171 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.162 12.125 -1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.897 10.626 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.167 10.373 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.654 12.523 0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.220 13.173 0.550 1.00 0.00 H new ATOM 395 N GLN A 27 -3.751 10.092 -2.948 1.00 0.00 N ATOM 396 CA GLN A 27 -3.475 8.917 -3.754 1.00 0.00 C ATOM 397 C GLN A 27 -2.996 7.781 -2.861 1.00 0.00 C ATOM 398 O GLN A 27 -2.012 7.919 -2.132 1.00 0.00 O ATOM 399 CB GLN A 27 -2.442 9.238 -4.836 1.00 0.00 C ATOM 400 CG GLN A 27 -2.970 10.193 -5.894 1.00 0.00 C ATOM 401 CD GLN A 27 -1.901 10.674 -6.852 1.00 0.00 C ATOM 402 OE1 GLN A 27 -1.281 11.795 -6.520 1.00 0.00 O flip ATOM 403 NE2 GLN A 27 -1.649 10.054 -7.888 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.999 10.781 -2.936 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.392 8.604 -4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.558 9.673 -4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.126 8.312 -5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.759 9.698 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.423 11.054 -5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.153 9.194 -8.103 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.937 10.402 -8.530 1.00 0.00 H new ATOM 412 N VAL A 28 -3.704 6.669 -2.917 1.00 0.00 N ATOM 413 CA VAL A 28 -3.438 5.539 -2.043 1.00 0.00 C ATOM 414 C VAL A 28 -2.880 4.371 -2.847 1.00 0.00 C ATOM 415 O VAL A 28 -3.336 4.095 -3.956 1.00 0.00 O ATOM 416 CB VAL A 28 -4.725 5.096 -1.310 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.433 4.004 -0.296 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.391 6.285 -0.632 1.00 0.00 C ATOM 0 H VAL A 28 -4.477 6.522 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.703 5.851 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.409 4.690 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.358 3.714 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.008 3.139 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.723 4.374 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.295 5.953 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.704 6.722 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.651 7.032 -1.381 1.00 0.00 H new ATOM 428 N ALA A 29 -1.883 3.704 -2.293 1.00 0.00 N ATOM 429 CA ALA A 29 -1.279 2.551 -2.937 1.00 0.00 C ATOM 430 C ALA A 29 -1.802 1.268 -2.313 1.00 0.00 C ATOM 431 O ALA A 29 -1.590 1.013 -1.127 1.00 0.00 O ATOM 432 CB ALA A 29 0.238 2.616 -2.825 1.00 0.00 C ATOM 0 H ALA A 29 -1.472 3.944 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.548 2.560 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.676 1.745 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.600 3.523 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.525 2.626 -1.774 1.00 0.00 H new ATOM 438 N ILE A 30 -2.499 0.474 -3.110 1.00 0.00 N ATOM 439 CA ILE A 30 -3.055 -0.781 -2.635 1.00 0.00 C ATOM 440 C ILE A 30 -2.154 -1.939 -3.036 1.00 0.00 C ATOM 441 O ILE A 30 -1.976 -2.216 -4.223 1.00 0.00 O ATOM 442 CB ILE A 30 -4.473 -1.027 -3.192 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.395 0.147 -2.852 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.042 -2.329 -2.640 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.791 0.004 -3.421 1.00 0.00 C ATOM 0 H ILE A 30 -2.693 0.678 -4.090 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.119 -0.716 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.408 -1.110 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.461 0.244 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.951 1.068 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.042 -2.488 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.398 -3.159 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.093 -2.272 -1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.389 0.871 -3.141 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.736 -0.063 -4.508 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.255 -0.900 -3.025 1.00 0.00 H new ATOM 457 N PHE A 31 -1.579 -2.599 -2.049 1.00 0.00 N ATOM 458 CA PHE A 31 -0.716 -3.740 -2.298 1.00 0.00 C ATOM 459 C PHE A 31 -1.369 -5.017 -1.794 1.00 0.00 C ATOM 460 O PHE A 31 -1.757 -5.106 -0.626 1.00 0.00 O ATOM 461 CB PHE A 31 0.640 -3.556 -1.607 1.00 0.00 C ATOM 462 CG PHE A 31 1.416 -2.361 -2.084 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.151 -2.419 -3.257 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.419 -1.183 -1.355 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.874 -1.324 -3.694 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.138 -0.086 -1.787 1.00 0.00 C ATOM 467 CZ PHE A 31 2.866 -0.157 -2.959 1.00 0.00 C ATOM 0 H PHE A 31 -1.694 -2.364 -1.063 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.559 -3.814 -3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.479 -3.466 -0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.240 -4.452 -1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.159 -3.330 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.852 -1.122 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.444 -1.383 -4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.131 0.826 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.428 0.700 -3.299 1.00 0.00 H new ATOM 477 N ARG A 32 -1.507 -5.997 -2.672 1.00 0.00 N ATOM 478 CA ARG A 32 -1.983 -7.308 -2.266 1.00 0.00 C ATOM 479 C ARG A 32 -0.853 -8.314 -2.396 1.00 0.00 C ATOM 480 O ARG A 32 -0.551 -8.773 -3.493 1.00 0.00 O ATOM 481 CB ARG A 32 -3.172 -7.762 -3.116 1.00 0.00 C ATOM 482 CG ARG A 32 -3.710 -9.125 -2.706 1.00 0.00 C ATOM 483 CD ARG A 32 -4.789 -9.622 -3.656 1.00 0.00 C ATOM 484 NE ARG A 32 -5.322 -10.920 -3.236 1.00 0.00 N ATOM 485 CZ ARG A 32 -6.133 -11.676 -3.981 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.501 -11.272 -5.191 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.573 -12.836 -3.511 1.00 0.00 N ATOM 0 H ARG A 32 -1.297 -5.910 -3.666 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.315 -7.244 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.970 -7.024 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.871 -7.796 -4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.892 -9.844 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.116 -9.066 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.598 -8.893 -3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.378 -9.705 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.057 -11.269 -2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.164 -10.381 -5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.120 -11.853 -5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.292 -13.149 -2.582 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.192 -13.414 -4.079 1.00 0.00 H new ATOM 501 N PRO A 33 -0.195 -8.649 -1.283 1.00 0.00 N ATOM 502 CA PRO A 33 0.904 -9.599 -1.281 1.00 0.00 C ATOM 503 C PRO A 33 0.444 -11.041 -1.072 1.00 0.00 C ATOM 504 O PRO A 33 0.989 -11.967 -1.668 1.00 0.00 O ATOM 505 CB PRO A 33 1.760 -9.119 -0.111 1.00 0.00 C ATOM 506 CG PRO A 33 0.827 -8.396 0.818 1.00 0.00 C ATOM 507 CD PRO A 33 -0.446 -8.100 0.057 1.00 0.00 C ATOM 0 HA PRO A 33 1.430 -9.625 -2.235 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.238 -9.959 0.393 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.556 -8.459 -0.455 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.614 -9.006 1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.283 -7.472 1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.310 -8.571 0.526 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.648 -7.030 0.018 1.00 0.00 H new ATOM 515 N TYR A 34 -0.582 -11.225 -0.252 1.00 0.00 N ATOM 516 CA TYR A 34 -1.045 -12.562 0.090 1.00 0.00 C ATOM 517 C TYR A 34 -2.106 -13.046 -0.886 1.00 0.00 C ATOM 518 O TYR A 34 -2.641 -12.272 -1.682 1.00 0.00 O ATOM 519 CB TYR A 34 -1.598 -12.601 1.515 1.00 0.00 C ATOM 520 CG TYR A 34 -0.552 -12.410 2.587 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.534 -13.271 2.683 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.649 -11.371 3.502 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.488 -13.107 3.664 1.00 0.00 C ATOM 524 CE2 TYR A 34 0.302 -11.201 4.489 1.00 0.00 C ATOM 525 CZ TYR A 34 1.370 -12.070 4.564 1.00 0.00 C ATOM 526 OH TYR A 34 2.320 -11.903 5.542 1.00 0.00 O ATOM 0 H TYR A 34 -1.107 -10.469 0.187 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.185 -13.229 0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.357 -11.826 1.620 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.096 -13.558 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.632 -14.082 1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.481 -10.685 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.324 -13.788 3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.210 -10.392 5.198 1.00 0.00 H new ATOM 0 HH TYR A 34 2.090 -11.126 6.093 1.00 0.00 H new ATOM 536 N HIS A 35 -2.410 -14.332 -0.806 1.00 0.00 N ATOM 537 CA HIS A 35 -3.386 -14.951 -1.687 1.00 0.00 C ATOM 538 C HIS A 35 -4.786 -14.781 -1.107 1.00 0.00 C ATOM 539 O HIS A 35 -5.786 -14.937 -1.804 1.00 0.00 O ATOM 540 CB HIS A 35 -3.060 -16.437 -1.869 1.00 0.00 C ATOM 541 CG HIS A 35 -3.706 -17.060 -3.066 1.00 0.00 C ATOM 542 ND1 HIS A 35 -3.069 -17.175 -4.280 1.00 0.00 N ATOM 543 CD2 HIS A 35 -4.931 -17.609 -3.234 1.00 0.00 C ATOM 544 CE1 HIS A 35 -3.873 -17.762 -5.142 1.00 0.00 C ATOM 545 NE2 HIS A 35 -5.011 -18.041 -4.535 1.00 0.00 N ATOM 0 H HIS A 35 -1.990 -14.972 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.348 -14.465 -2.662 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.979 -16.554 -1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.373 -16.979 -0.977 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.703 -17.692 -2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.640 -17.979 -6.174 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.816 -18.501 -4.961 1.00 0.00 H new ATOM 554 N SER A 36 -4.841 -14.460 0.178 1.00 0.00 N ATOM 555 CA SER A 36 -6.100 -14.189 0.855 1.00 0.00 C ATOM 556 C SER A 36 -6.672 -12.839 0.409 1.00 0.00 C ATOM 557 O SER A 36 -6.151 -12.210 -0.515 1.00 0.00 O ATOM 558 CB SER A 36 -5.877 -14.193 2.367 1.00 0.00 C ATOM 559 OG SER A 36 -5.151 -15.342 2.770 1.00 0.00 O ATOM 0 H SER A 36 -4.019 -14.381 0.777 1.00 0.00 H new ATOM 0 HA SER A 36 -6.817 -14.967 0.593 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.335 -13.294 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.838 -14.167 2.880 1.00 0.00 H new ATOM 0 HG SER A 36 -5.019 -15.322 3.741 1.00 0.00 H new ATOM 565 N ASP A 37 -7.731 -12.391 1.072 1.00 0.00 N ATOM 566 CA ASP A 37 -8.371 -11.127 0.719 1.00 0.00 C ATOM 567 C ASP A 37 -7.734 -9.968 1.478 1.00 0.00 C ATOM 568 O ASP A 37 -8.184 -8.831 1.389 1.00 0.00 O ATOM 569 CB ASP A 37 -9.874 -11.177 1.019 1.00 0.00 C ATOM 570 CG ASP A 37 -10.182 -11.110 2.503 1.00 0.00 C ATOM 571 OD1 ASP A 37 -9.839 -12.064 3.232 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.773 -10.103 2.949 1.00 0.00 O ATOM 0 H ASP A 37 -8.165 -12.881 1.854 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.229 -10.969 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.368 -10.348 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.291 -12.096 0.608 1.00 0.00 H new ATOM 577 N GLN A 38 -6.677 -10.263 2.217 1.00 0.00 N ATOM 578 CA GLN A 38 -6.009 -9.252 3.020 1.00 0.00 C ATOM 579 C GLN A 38 -5.109 -8.377 2.150 1.00 0.00 C ATOM 580 O GLN A 38 -4.071 -8.826 1.654 1.00 0.00 O ATOM 581 CB GLN A 38 -5.200 -9.913 4.139 1.00 0.00 C ATOM 582 CG GLN A 38 -4.602 -8.929 5.136 1.00 0.00 C ATOM 583 CD GLN A 38 -5.645 -8.023 5.768 1.00 0.00 C ATOM 584 OE1 GLN A 38 -6.266 -8.378 6.770 1.00 0.00 O ATOM 585 NE2 GLN A 38 -5.820 -6.837 5.210 1.00 0.00 N ATOM 0 H GLN A 38 -6.263 -11.193 2.277 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.768 -8.613 3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.843 -10.611 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.395 -10.498 3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.085 -9.482 5.920 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.854 -8.317 4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.286 -6.580 4.380 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.489 -6.179 5.610 1.00 0.00 H new ATOM 594 N VAL A 39 -5.524 -7.133 1.967 1.00 0.00 N ATOM 595 CA VAL A 39 -4.762 -6.164 1.200 1.00 0.00 C ATOM 596 C VAL A 39 -4.312 -5.042 2.119 1.00 0.00 C ATOM 597 O VAL A 39 -4.870 -4.863 3.200 1.00 0.00 O ATOM 598 CB VAL A 39 -5.584 -5.576 0.028 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.956 -6.665 -0.965 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.831 -4.868 0.539 1.00 0.00 C ATOM 0 H VAL A 39 -6.398 -6.769 2.346 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.900 -6.676 0.773 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.963 -4.841 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.534 -6.231 -1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.049 -7.119 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.553 -7.427 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.391 -4.464 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.455 -5.577 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.541 -4.055 1.205 1.00 0.00 H new ATOM 610 N PHE A 40 -3.297 -4.304 1.709 1.00 0.00 N ATOM 611 CA PHE A 40 -2.782 -3.221 2.527 1.00 0.00 C ATOM 612 C PHE A 40 -2.700 -1.938 1.717 1.00 0.00 C ATOM 613 O PHE A 40 -2.228 -1.940 0.579 1.00 0.00 O ATOM 614 CB PHE A 40 -1.412 -3.596 3.095 1.00 0.00 C ATOM 615 CG PHE A 40 -1.453 -4.800 3.999 1.00 0.00 C ATOM 616 CD1 PHE A 40 -1.330 -6.081 3.481 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.612 -4.650 5.367 1.00 0.00 C ATOM 618 CE1 PHE A 40 -1.363 -7.186 4.310 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.646 -5.751 6.201 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.521 -7.021 5.672 1.00 0.00 C ATOM 0 H PHE A 40 -2.815 -4.433 0.819 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.465 -3.052 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.726 -3.792 2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.011 -2.747 3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.207 -6.216 2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.711 -3.660 5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.265 -8.178 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.770 -5.619 7.266 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.547 -7.883 6.322 1.00 0.00 H new ATOM 630 N ALA A 41 -3.173 -0.848 2.302 1.00 0.00 N ATOM 631 CA ALA A 41 -3.217 0.427 1.612 1.00 0.00 C ATOM 632 C ALA A 41 -2.429 1.488 2.367 1.00 0.00 C ATOM 633 O ALA A 41 -2.721 1.797 3.523 1.00 0.00 O ATOM 634 CB ALA A 41 -4.660 0.869 1.425 1.00 0.00 C ATOM 0 H ALA A 41 -3.532 -0.824 3.256 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.755 0.302 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.683 1.827 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.195 0.124 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.138 0.973 2.399 1.00 0.00 H new ATOM 640 N ILE A 42 -1.422 2.034 1.712 1.00 0.00 N ATOM 641 CA ILE A 42 -0.621 3.103 2.286 1.00 0.00 C ATOM 642 C ILE A 42 -0.617 4.299 1.349 1.00 0.00 C ATOM 643 O ILE A 42 -1.182 4.232 0.258 1.00 0.00 O ATOM 644 CB ILE A 42 0.832 2.656 2.562 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.473 2.073 1.297 1.00 0.00 C ATOM 646 CG2 ILE A 42 0.864 1.641 3.693 1.00 0.00 C ATOM 647 CD1 ILE A 42 2.941 1.738 1.459 1.00 0.00 C ATOM 0 H ILE A 42 -1.136 1.753 0.774 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.071 3.375 3.241 1.00 0.00 H new ATOM 0 HB ILE A 42 1.410 3.530 2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.933 1.171 1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.360 2.787 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.894 1.334 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.452 2.090 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.270 0.770 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.326 1.331 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.494 2.641 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.060 1.001 2.253 1.00 0.00 H new ATOM 659 N SER A 43 -0.008 5.394 1.773 1.00 0.00 N ATOM 660 CA SER A 43 0.106 6.567 0.923 1.00 0.00 C ATOM 661 C SER A 43 0.933 6.223 -0.312 1.00 0.00 C ATOM 662 O SER A 43 1.978 5.582 -0.210 1.00 0.00 O ATOM 663 CB SER A 43 0.744 7.726 1.694 1.00 0.00 C ATOM 664 OG SER A 43 0.651 8.942 0.968 1.00 0.00 O ATOM 0 H SER A 43 0.413 5.495 2.696 1.00 0.00 H new ATOM 0 HA SER A 43 -0.890 6.879 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.251 7.838 2.660 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.791 7.499 1.895 1.00 0.00 H new ATOM 0 HG SER A 43 1.065 9.664 1.485 1.00 0.00 H new ATOM 670 N ASN A 44 0.451 6.632 -1.476 1.00 0.00 N ATOM 671 CA ASN A 44 1.101 6.295 -2.737 1.00 0.00 C ATOM 672 C ASN A 44 2.141 7.349 -3.102 1.00 0.00 C ATOM 673 O ASN A 44 2.872 7.209 -4.079 1.00 0.00 O ATOM 674 CB ASN A 44 0.050 6.184 -3.849 1.00 0.00 C ATOM 675 CG ASN A 44 0.572 5.538 -5.119 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.426 4.651 -5.086 1.00 0.00 O ATOM 677 ND2 ASN A 44 0.054 5.975 -6.254 1.00 0.00 N ATOM 0 H ASN A 44 -0.391 7.200 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 44 1.607 5.336 -2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.797 5.606 -3.480 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.323 7.181 -4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.360 5.576 -7.141 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.652 6.711 -6.242 1.00 0.00 H new ATOM 684 N ILE A 45 2.214 8.397 -2.291 1.00 0.00 N ATOM 685 CA ILE A 45 3.091 9.522 -2.574 1.00 0.00 C ATOM 686 C ILE A 45 4.417 9.393 -1.831 1.00 0.00 C ATOM 687 O ILE A 45 4.445 9.244 -0.608 1.00 0.00 O ATOM 688 CB ILE A 45 2.423 10.862 -2.188 1.00 0.00 C ATOM 689 CG1 ILE A 45 1.084 11.026 -2.917 1.00 0.00 C ATOM 690 CG2 ILE A 45 3.346 12.035 -2.498 1.00 0.00 C ATOM 691 CD1 ILE A 45 1.206 11.032 -4.424 1.00 0.00 C ATOM 0 H ILE A 45 1.674 8.490 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 45 3.282 9.512 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 45 2.233 10.851 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.417 10.217 -2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.618 11.958 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.856 12.968 -2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.272 11.928 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.571 12.049 -3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.218 11.152 -4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.846 11.858 -4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.642 10.090 -4.757 1.00 0.00 H new ATOM 703 N ASP A 46 5.507 9.449 -2.581 1.00 0.00 N ATOM 704 CA ASP A 46 6.845 9.452 -2.001 1.00 0.00 C ATOM 705 C ASP A 46 7.283 10.884 -1.716 1.00 0.00 C ATOM 706 O ASP A 46 7.245 11.736 -2.602 1.00 0.00 O ATOM 707 CB ASP A 46 7.848 8.776 -2.942 1.00 0.00 C ATOM 708 CG ASP A 46 9.283 9.093 -2.576 1.00 0.00 C ATOM 709 OD1 ASP A 46 9.808 8.506 -1.609 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.882 9.956 -3.245 1.00 0.00 O ATOM 0 H ASP A 46 5.492 9.493 -3.600 1.00 0.00 H new ATOM 0 HA ASP A 46 6.817 8.890 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.698 7.697 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.657 9.098 -3.966 1.00 0.00 H new ATOM 715 N PRO A 47 7.688 11.171 -0.473 1.00 0.00 N ATOM 716 CA PRO A 47 8.086 12.509 -0.055 1.00 0.00 C ATOM 717 C PRO A 47 9.563 12.813 -0.318 1.00 0.00 C ATOM 718 O PRO A 47 9.999 13.956 -0.170 1.00 0.00 O ATOM 719 CB PRO A 47 7.806 12.505 1.457 1.00 0.00 C ATOM 720 CG PRO A 47 7.404 11.102 1.815 1.00 0.00 C ATOM 721 CD PRO A 47 7.760 10.231 0.643 1.00 0.00 C ATOM 0 HA PRO A 47 7.546 13.275 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.691 12.809 2.016 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.014 13.211 1.706 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.923 10.770 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.336 11.048 2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.754 9.796 0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.061 9.403 0.524 1.00 0.00 H new ATOM 729 N PHE A 48 10.327 11.801 -0.718 1.00 0.00 N ATOM 730 CA PHE A 48 11.770 11.957 -0.879 1.00 0.00 C ATOM 731 C PHE A 48 12.111 12.515 -2.262 1.00 0.00 C ATOM 732 O PHE A 48 12.838 13.502 -2.379 1.00 0.00 O ATOM 733 CB PHE A 48 12.475 10.617 -0.653 1.00 0.00 C ATOM 734 CG PHE A 48 13.936 10.751 -0.320 1.00 0.00 C ATOM 735 CD1 PHE A 48 14.334 11.061 0.972 1.00 0.00 C ATOM 736 CD2 PHE A 48 14.906 10.564 -1.289 1.00 0.00 C ATOM 737 CE1 PHE A 48 15.675 11.184 1.287 1.00 0.00 C ATOM 738 CE2 PHE A 48 16.248 10.684 -0.979 1.00 0.00 C ATOM 739 CZ PHE A 48 16.632 10.994 0.310 1.00 0.00 C ATOM 0 H PHE A 48 9.974 10.869 -0.936 1.00 0.00 H new ATOM 0 HA PHE A 48 12.122 12.670 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.974 10.085 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.370 10.006 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.589 11.208 1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 48 14.611 10.321 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 48 15.973 11.428 2.296 1.00 0.00 H new ATOM 0 HE2 PHE A 48 16.995 10.535 -1.745 1.00 0.00 H new ATOM 0 HZ PHE A 48 17.680 11.088 0.554 1.00 0.00 H new ATOM 749 N PHE A 49 11.584 11.884 -3.299 1.00 0.00 N ATOM 750 CA PHE A 49 11.780 12.344 -4.668 1.00 0.00 C ATOM 751 C PHE A 49 10.511 12.997 -5.185 1.00 0.00 C ATOM 752 O PHE A 49 10.461 13.465 -6.322 1.00 0.00 O ATOM 753 CB PHE A 49 12.156 11.183 -5.590 1.00 0.00 C ATOM 754 CG PHE A 49 13.489 10.569 -5.287 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.647 11.103 -5.825 1.00 0.00 C ATOM 756 CD2 PHE A 49 13.580 9.458 -4.470 1.00 0.00 C ATOM 757 CE1 PHE A 49 15.876 10.536 -5.552 1.00 0.00 C ATOM 758 CE2 PHE A 49 14.804 8.888 -4.193 1.00 0.00 C ATOM 759 CZ PHE A 49 15.954 9.429 -4.735 1.00 0.00 C ATOM 0 H PHE A 49 11.012 11.044 -3.219 1.00 0.00 H new ATOM 0 HA PHE A 49 12.594 13.068 -4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.388 10.413 -5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.157 11.537 -6.621 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.589 11.971 -6.464 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.683 9.032 -4.044 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.774 10.959 -5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 49 14.864 8.020 -3.553 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.914 8.984 -4.518 1.00 0.00 H new ATOM 769 N GLU A 50 9.486 13.005 -4.336 1.00 0.00 N ATOM 770 CA GLU A 50 8.183 13.559 -4.686 1.00 0.00 C ATOM 771 C GLU A 50 7.575 12.786 -5.852 1.00 0.00 C ATOM 772 O GLU A 50 7.287 13.346 -6.912 1.00 0.00 O ATOM 773 CB GLU A 50 8.292 15.050 -5.009 1.00 0.00 C ATOM 774 CG GLU A 50 8.767 15.882 -3.831 1.00 0.00 C ATOM 775 CD GLU A 50 8.933 17.342 -4.178 1.00 0.00 C ATOM 776 OE1 GLU A 50 7.913 18.059 -4.257 1.00 0.00 O ATOM 777 OE2 GLU A 50 10.087 17.788 -4.358 1.00 0.00 O ATOM 0 H GLU A 50 9.536 12.629 -3.389 1.00 0.00 H new ATOM 0 HA GLU A 50 7.521 13.456 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.981 15.185 -5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.319 15.417 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.053 15.786 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.718 15.488 -3.473 1.00 0.00 H new ATOM 784 N SER A 51 7.372 11.496 -5.632 1.00 0.00 N ATOM 785 CA SER A 51 6.853 10.612 -6.660 1.00 0.00 C ATOM 786 C SER A 51 5.377 10.343 -6.410 1.00 0.00 C ATOM 787 O SER A 51 4.946 10.234 -5.261 1.00 0.00 O ATOM 788 CB SER A 51 7.640 9.295 -6.670 1.00 0.00 C ATOM 789 OG SER A 51 7.158 8.405 -7.665 1.00 0.00 O ATOM 0 H SER A 51 7.561 11.036 -4.741 1.00 0.00 H new ATOM 0 HA SER A 51 6.965 11.091 -7.633 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.695 9.503 -6.847 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.569 8.820 -5.691 1.00 0.00 H new ATOM 0 HG SER A 51 6.726 7.637 -7.236 1.00 0.00 H new ATOM 795 N SER A 52 4.611 10.250 -7.485 1.00 0.00 N ATOM 796 CA SER A 52 3.173 10.087 -7.385 1.00 0.00 C ATOM 797 C SER A 52 2.779 8.636 -7.130 1.00 0.00 C ATOM 798 O SER A 52 1.698 8.369 -6.609 1.00 0.00 O ATOM 799 CB SER A 52 2.514 10.605 -8.661 1.00 0.00 C ATOM 800 OG SER A 52 3.228 10.183 -9.812 1.00 0.00 O ATOM 0 H SER A 52 4.965 10.285 -8.441 1.00 0.00 H new ATOM 0 HA SER A 52 2.824 10.666 -6.530 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.486 10.246 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.470 11.694 -8.635 1.00 0.00 H new ATOM 0 HG SER A 52 2.785 10.526 -10.616 1.00 0.00 H new ATOM 806 N VAL A 53 3.645 7.694 -7.498 1.00 0.00 N ATOM 807 CA VAL A 53 3.336 6.287 -7.294 1.00 0.00 C ATOM 808 C VAL A 53 4.457 5.542 -6.567 1.00 0.00 C ATOM 809 O VAL A 53 5.615 5.553 -6.990 1.00 0.00 O ATOM 810 CB VAL A 53 3.032 5.565 -8.632 1.00 0.00 C ATOM 811 CG1 VAL A 53 1.715 6.048 -9.217 1.00 0.00 C ATOM 812 CG2 VAL A 53 4.159 5.769 -9.638 1.00 0.00 C ATOM 0 H VAL A 53 4.550 7.878 -7.931 1.00 0.00 H new ATOM 0 HA VAL A 53 2.445 6.270 -6.666 1.00 0.00 H new ATOM 0 HB VAL A 53 2.952 4.499 -8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.521 5.528 -10.155 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.907 5.842 -8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.770 7.121 -9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.917 5.251 -10.566 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.280 6.834 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.087 5.368 -9.231 1.00 0.00 H new ATOM 822 N LEU A 54 4.096 4.916 -5.453 1.00 0.00 N ATOM 823 CA LEU A 54 4.957 3.957 -4.774 1.00 0.00 C ATOM 824 C LEU A 54 4.656 2.547 -5.266 1.00 0.00 C ATOM 825 O LEU A 54 5.410 1.610 -5.012 1.00 0.00 O ATOM 826 CB LEU A 54 4.776 4.035 -3.256 1.00 0.00 C ATOM 827 CG LEU A 54 5.350 5.289 -2.598 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.093 5.271 -1.101 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.841 5.397 -2.879 1.00 0.00 C ATOM 0 H LEU A 54 3.196 5.060 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 54 5.993 4.204 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.711 3.980 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.244 3.160 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 54 4.852 6.161 -3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.509 6.172 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.019 5.235 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.566 4.393 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.237 6.295 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.351 4.520 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.005 5.453 -3.955 1.00 0.00 H new ATOM 841 N SER A 55 3.539 2.413 -5.978 1.00 0.00 N ATOM 842 CA SER A 55 3.077 1.123 -6.480 1.00 0.00 C ATOM 843 C SER A 55 3.961 0.604 -7.616 1.00 0.00 C ATOM 844 O SER A 55 3.750 -0.491 -8.132 1.00 0.00 O ATOM 845 CB SER A 55 1.626 1.251 -6.943 1.00 0.00 C ATOM 846 OG SER A 55 1.399 2.511 -7.561 1.00 0.00 O ATOM 0 H SER A 55 2.931 3.194 -6.222 1.00 0.00 H new ATOM 0 HA SER A 55 3.141 0.397 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.392 0.450 -7.645 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.957 1.134 -6.091 1.00 0.00 H new ATOM 0 HG SER A 55 0.465 2.570 -7.851 1.00 0.00 H new ATOM 852 N ARG A 56 4.960 1.393 -7.984 1.00 0.00 N ATOM 853 CA ARG A 56 5.903 1.009 -9.024 1.00 0.00 C ATOM 854 C ARG A 56 7.124 0.348 -8.383 1.00 0.00 C ATOM 855 O ARG A 56 8.263 0.565 -8.800 1.00 0.00 O ATOM 856 CB ARG A 56 6.312 2.249 -9.828 1.00 0.00 C ATOM 857 CG ARG A 56 6.983 1.935 -11.157 1.00 0.00 C ATOM 858 CD ARG A 56 7.351 3.209 -11.897 1.00 0.00 C ATOM 859 NE ARG A 56 7.919 2.942 -13.218 1.00 0.00 N ATOM 860 CZ ARG A 56 8.109 3.880 -14.146 1.00 0.00 C ATOM 861 NH1 ARG A 56 7.793 5.142 -13.884 1.00 0.00 N ATOM 862 NH2 ARG A 56 8.614 3.559 -15.331 1.00 0.00 N ATOM 0 H ARG A 56 5.139 2.310 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 56 5.438 0.295 -9.704 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.426 2.856 -10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.990 2.852 -9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.879 1.339 -10.984 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.314 1.333 -11.773 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.463 3.832 -12.005 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.068 3.776 -11.304 1.00 0.00 H new ATOM 0 HE ARG A 56 8.185 1.983 -13.442 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.406 5.392 -12.974 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.937 5.862 -14.592 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.859 2.590 -15.536 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.757 4.281 -16.037 1.00 0.00 H new ATOM 876 N GLY A 57 6.868 -0.480 -7.380 1.00 0.00 N ATOM 877 CA GLY A 57 7.936 -1.115 -6.636 1.00 0.00 C ATOM 878 C GLY A 57 7.671 -2.589 -6.417 1.00 0.00 C ATOM 879 O GLY A 57 6.544 -3.053 -6.588 1.00 0.00 O ATOM 0 H GLY A 57 5.929 -0.725 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.876 -0.991 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.052 -0.620 -5.672 1.00 0.00 H new ATOM 883 N LEU A 58 8.703 -3.326 -6.033 1.00 0.00 N ATOM 884 CA LEU A 58 8.598 -4.775 -5.901 1.00 0.00 C ATOM 885 C LEU A 58 8.397 -5.178 -4.445 1.00 0.00 C ATOM 886 O LEU A 58 8.939 -4.548 -3.539 1.00 0.00 O ATOM 887 CB LEU A 58 9.851 -5.469 -6.458 1.00 0.00 C ATOM 888 CG LEU A 58 10.079 -5.351 -7.973 1.00 0.00 C ATOM 889 CD1 LEU A 58 8.807 -5.684 -8.738 1.00 0.00 C ATOM 890 CD2 LEU A 58 10.592 -3.967 -8.351 1.00 0.00 C ATOM 0 H LEU A 58 9.623 -2.947 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 58 7.730 -5.094 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.723 -5.060 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.798 -6.527 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 58 10.845 -6.075 -8.251 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.992 -5.594 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.500 -6.704 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.016 -4.993 -8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.743 -3.917 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.863 -3.214 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.538 -3.778 -7.843 1.00 0.00 H new ATOM 902 N ILE A 59 7.618 -6.226 -4.230 1.00 0.00 N ATOM 903 CA ILE A 59 7.392 -6.751 -2.890 1.00 0.00 C ATOM 904 C ILE A 59 8.437 -7.813 -2.558 1.00 0.00 C ATOM 905 O ILE A 59 8.648 -8.751 -3.330 1.00 0.00 O ATOM 906 CB ILE A 59 5.975 -7.356 -2.757 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.915 -6.294 -3.080 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.759 -7.920 -1.358 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.492 -6.814 -3.041 1.00 0.00 C ATOM 0 H ILE A 59 7.129 -6.732 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 59 7.479 -5.922 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 59 5.879 -8.174 -3.471 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.011 -5.472 -2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.115 -5.885 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.756 -8.341 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.495 -8.700 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.872 -7.123 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.802 -6.005 -3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.377 -7.616 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.272 -7.196 -2.044 1.00 0.00 H new ATOM 921 N ALA A 60 9.098 -7.650 -1.421 1.00 0.00 N ATOM 922 CA ALA A 60 10.139 -8.574 -0.997 1.00 0.00 C ATOM 923 C ALA A 60 10.120 -8.747 0.516 1.00 0.00 C ATOM 924 O ALA A 60 9.942 -7.782 1.259 1.00 0.00 O ATOM 925 CB ALA A 60 11.505 -8.081 -1.456 1.00 0.00 C ATOM 0 H ALA A 60 8.930 -6.881 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 60 9.945 -9.543 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.273 -8.783 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.518 -8.006 -2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.703 -7.101 -1.022 1.00 0.00 H new ATOM 931 N GLU A 61 10.307 -9.974 0.971 1.00 0.00 N ATOM 932 CA GLU A 61 10.273 -10.270 2.394 1.00 0.00 C ATOM 933 C GLU A 61 11.660 -10.119 3.007 1.00 0.00 C ATOM 934 O GLU A 61 12.653 -10.571 2.435 1.00 0.00 O ATOM 935 CB GLU A 61 9.772 -11.697 2.627 1.00 0.00 C ATOM 936 CG GLU A 61 9.562 -12.039 4.095 1.00 0.00 C ATOM 937 CD GLU A 61 9.472 -13.531 4.340 1.00 0.00 C ATOM 938 OE1 GLU A 61 8.621 -14.194 3.713 1.00 0.00 O ATOM 939 OE2 GLU A 61 10.260 -14.047 5.161 1.00 0.00 O ATOM 0 H GLU A 61 10.484 -10.783 0.375 1.00 0.00 H new ATOM 0 HA GLU A 61 9.593 -9.563 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.832 -11.834 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.488 -12.399 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.384 -11.628 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.648 -11.561 4.448 1.00 0.00 H new ATOM 946 N HIS A 62 11.727 -9.472 4.161 1.00 0.00 N ATOM 947 CA HIS A 62 12.966 -9.411 4.919 1.00 0.00 C ATOM 948 C HIS A 62 13.025 -10.621 5.844 1.00 0.00 C ATOM 949 O HIS A 62 13.795 -11.549 5.616 1.00 0.00 O ATOM 950 CB HIS A 62 13.058 -8.099 5.719 1.00 0.00 C ATOM 951 CG HIS A 62 14.378 -7.883 6.411 1.00 0.00 C ATOM 952 ND1 HIS A 62 15.354 -7.034 5.932 1.00 0.00 N ATOM 953 CD2 HIS A 62 14.870 -8.398 7.564 1.00 0.00 C ATOM 954 CE1 HIS A 62 16.384 -7.037 6.757 1.00 0.00 C ATOM 955 NE2 HIS A 62 16.116 -7.856 7.755 1.00 0.00 N ATOM 0 H HIS A 62 10.941 -8.984 4.591 1.00 0.00 H new ATOM 0 HA HIS A 62 13.816 -9.430 4.237 1.00 0.00 H new ATOM 0 HB2 HIS A 62 12.874 -7.263 5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 62 12.264 -8.087 6.466 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.373 -9.104 8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 62 17.292 -6.466 6.635 1.00 0.00 H new ATOM 0 HE2 HIS A 62 16.735 -8.054 8.541 1.00 0.00 H new ATOM 964 N GLN A 63 12.181 -10.610 6.872 1.00 0.00 N ATOM 965 CA GLN A 63 12.051 -11.737 7.791 1.00 0.00 C ATOM 966 C GLN A 63 10.633 -11.791 8.345 1.00 0.00 C ATOM 967 O GLN A 63 10.297 -11.049 9.267 1.00 0.00 O ATOM 968 CB GLN A 63 13.043 -11.639 8.958 1.00 0.00 C ATOM 969 CG GLN A 63 14.497 -11.838 8.563 1.00 0.00 C ATOM 970 CD GLN A 63 15.426 -11.853 9.759 1.00 0.00 C ATOM 971 OE1 GLN A 63 15.934 -10.814 10.183 1.00 0.00 O ATOM 972 NE2 GLN A 63 15.653 -13.031 10.311 1.00 0.00 N ATOM 0 H GLN A 63 11.570 -9.823 7.091 1.00 0.00 H new ATOM 0 HA GLN A 63 12.273 -12.645 7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.937 -10.661 9.428 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.778 -12.384 9.708 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.597 -12.776 8.018 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.798 -11.041 7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.212 -13.867 9.928 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.270 -13.105 11.120 1.00 0.00 H new ATOM 981 N GLY A 64 9.793 -12.630 7.750 1.00 0.00 N ATOM 982 CA GLY A 64 8.429 -12.785 8.228 1.00 0.00 C ATOM 983 C GLY A 64 7.503 -11.699 7.718 1.00 0.00 C ATOM 984 O GLY A 64 6.401 -11.980 7.238 1.00 0.00 O ATOM 0 H GLY A 64 10.031 -13.207 6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.048 -13.758 7.917 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.427 -12.776 9.318 1.00 0.00 H new ATOM 988 N GLU A 65 7.954 -10.458 7.813 1.00 0.00 N ATOM 989 CA GLU A 65 7.169 -9.322 7.361 1.00 0.00 C ATOM 990 C GLU A 65 7.457 -9.051 5.890 1.00 0.00 C ATOM 991 O GLU A 65 8.606 -9.130 5.451 1.00 0.00 O ATOM 992 CB GLU A 65 7.509 -8.070 8.178 1.00 0.00 C ATOM 993 CG GLU A 65 7.491 -8.285 9.683 1.00 0.00 C ATOM 994 CD GLU A 65 6.147 -8.747 10.206 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.304 -7.888 10.544 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.941 -9.972 10.314 1.00 0.00 O ATOM 0 H GLU A 65 8.865 -10.212 8.201 1.00 0.00 H new ATOM 0 HA GLU A 65 6.113 -9.558 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.497 -7.715 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.800 -7.282 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.249 -9.023 9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.766 -7.354 10.179 1.00 0.00 H new ATOM 1003 N LEU A 66 6.412 -8.747 5.137 1.00 0.00 N ATOM 1004 CA LEU A 66 6.557 -8.426 3.726 1.00 0.00 C ATOM 1005 C LEU A 66 6.806 -6.933 3.543 1.00 0.00 C ATOM 1006 O LEU A 66 6.098 -6.096 4.109 1.00 0.00 O ATOM 1007 CB LEU A 66 5.309 -8.856 2.951 1.00 0.00 C ATOM 1008 CG LEU A 66 4.988 -10.352 3.018 1.00 0.00 C ATOM 1009 CD1 LEU A 66 3.716 -10.658 2.253 1.00 0.00 C ATOM 1010 CD2 LEU A 66 6.141 -11.175 2.468 1.00 0.00 C ATOM 0 H LEU A 66 5.452 -8.716 5.480 1.00 0.00 H new ATOM 0 HA LEU A 66 7.415 -8.971 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.453 -8.299 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.434 -8.573 1.906 1.00 0.00 H new ATOM 0 HG LEU A 66 4.840 -10.620 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.504 -11.726 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.887 -10.099 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.841 -10.370 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.892 -12.235 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.321 -10.900 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.039 -10.981 3.055 1.00 0.00 H new ATOM 1022 N TRP A 67 7.823 -6.604 2.766 1.00 0.00 N ATOM 1023 CA TRP A 67 8.209 -5.218 2.553 1.00 0.00 C ATOM 1024 C TRP A 67 8.086 -4.861 1.077 1.00 0.00 C ATOM 1025 O TRP A 67 8.065 -5.742 0.220 1.00 0.00 O ATOM 1026 CB TRP A 67 9.654 -4.990 3.020 1.00 0.00 C ATOM 1027 CG TRP A 67 9.883 -5.250 4.483 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.809 -6.450 5.123 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.249 -4.289 5.483 1.00 0.00 C ATOM 1030 NE1 TRP A 67 10.081 -6.296 6.460 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.358 -4.979 6.705 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.485 -2.913 5.466 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.696 -4.338 7.895 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.822 -2.279 6.645 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.924 -2.991 7.846 1.00 0.00 C ATOM 0 H TRP A 67 8.400 -7.282 2.269 1.00 0.00 H new ATOM 0 HA TRP A 67 7.543 -4.580 3.133 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.316 -5.634 2.441 1.00 0.00 H new ATOM 0 HB3 TRP A 67 9.937 -3.961 2.798 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.570 -7.389 4.646 1.00 0.00 H new ATOM 0 HE1 TRP A 67 10.077 -7.041 7.156 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.405 -2.354 4.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.775 -4.885 8.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 11.010 -1.216 6.641 1.00 0.00 H new ATOM 0 HH2 TRP A 67 11.188 -2.466 8.752 1.00 0.00 H new ATOM 1046 N VAL A 68 7.996 -3.577 0.782 1.00 0.00 N ATOM 1047 CA VAL A 68 7.974 -3.112 -0.595 1.00 0.00 C ATOM 1048 C VAL A 68 9.217 -2.269 -0.876 1.00 0.00 C ATOM 1049 O VAL A 68 9.607 -1.430 -0.059 1.00 0.00 O ATOM 1050 CB VAL A 68 6.686 -2.312 -0.914 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.563 -1.076 -0.033 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.635 -1.931 -2.388 1.00 0.00 C ATOM 0 H VAL A 68 7.937 -2.835 1.479 1.00 0.00 H new ATOM 0 HA VAL A 68 7.977 -3.986 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 68 5.836 -2.959 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.648 -0.539 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.531 -1.377 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.422 -0.425 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.722 -1.370 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.500 -1.315 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.647 -2.834 -2.998 1.00 0.00 H new ATOM 1062 N ALA A 69 9.857 -2.524 -2.007 1.00 0.00 N ATOM 1063 CA ALA A 69 11.091 -1.841 -2.360 1.00 0.00 C ATOM 1064 C ALA A 69 10.877 -0.879 -3.522 1.00 0.00 C ATOM 1065 O ALA A 69 10.531 -1.290 -4.633 1.00 0.00 O ATOM 1066 CB ALA A 69 12.173 -2.854 -2.702 1.00 0.00 C ATOM 0 H ALA A 69 9.540 -3.203 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 69 11.413 -1.257 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.092 -2.330 -2.965 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.355 -3.497 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.848 -3.462 -3.546 1.00 0.00 H new ATOM 1072 N SER A 70 11.079 0.400 -3.250 1.00 0.00 N ATOM 1073 CA SER A 70 10.974 1.435 -4.266 1.00 0.00 C ATOM 1074 C SER A 70 12.296 1.568 -5.017 1.00 0.00 C ATOM 1075 O SER A 70 13.348 1.789 -4.409 1.00 0.00 O ATOM 1076 CB SER A 70 10.592 2.772 -3.618 1.00 0.00 C ATOM 1077 OG SER A 70 10.553 3.815 -4.575 1.00 0.00 O ATOM 0 H SER A 70 11.320 0.749 -2.322 1.00 0.00 H new ATOM 0 HA SER A 70 10.196 1.156 -4.976 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.618 2.680 -3.137 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.311 3.019 -2.837 1.00 0.00 H new ATOM 0 HG SER A 70 11.061 4.584 -4.242 1.00 0.00 H new ATOM 1083 N PRO A 71 12.260 1.436 -6.353 1.00 0.00 N ATOM 1084 CA PRO A 71 13.454 1.492 -7.199 1.00 0.00 C ATOM 1085 C PRO A 71 13.987 2.913 -7.387 1.00 0.00 C ATOM 1086 O PRO A 71 14.922 3.132 -8.157 1.00 0.00 O ATOM 1087 CB PRO A 71 12.980 0.922 -8.547 1.00 0.00 C ATOM 1088 CG PRO A 71 11.591 0.418 -8.314 1.00 0.00 C ATOM 1089 CD PRO A 71 11.054 1.198 -7.150 1.00 0.00 C ATOM 0 HA PRO A 71 14.279 0.938 -6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 71 12.992 1.689 -9.321 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.636 0.119 -8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.971 0.562 -9.199 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.595 -0.650 -8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.585 2.130 -7.466 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.304 0.635 -6.595 1.00 0.00 H new ATOM 1097 N LEU A 72 13.393 3.874 -6.687 1.00 0.00 N ATOM 1098 CA LEU A 72 13.832 5.263 -6.771 1.00 0.00 C ATOM 1099 C LEU A 72 15.240 5.415 -6.203 1.00 0.00 C ATOM 1100 O LEU A 72 16.146 5.896 -6.886 1.00 0.00 O ATOM 1101 CB LEU A 72 12.863 6.185 -6.027 1.00 0.00 C ATOM 1102 CG LEU A 72 11.440 6.227 -6.585 1.00 0.00 C ATOM 1103 CD1 LEU A 72 10.566 7.138 -5.739 1.00 0.00 C ATOM 1104 CD2 LEU A 72 11.447 6.690 -8.036 1.00 0.00 C ATOM 0 H LEU A 72 12.607 3.717 -6.056 1.00 0.00 H new ATOM 0 HA LEU A 72 13.845 5.550 -7.822 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.817 5.871 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.270 7.196 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 72 11.026 5.219 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.556 7.157 -6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.535 6.765 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.979 8.147 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.425 6.713 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.880 7.689 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.041 6.000 -8.635 1.00 0.00 H new ATOM 1116 N LYS A 73 15.420 4.996 -4.956 1.00 0.00 N ATOM 1117 CA LYS A 73 16.728 5.042 -4.315 1.00 0.00 C ATOM 1118 C LYS A 73 16.878 3.867 -3.357 1.00 0.00 C ATOM 1119 O LYS A 73 17.619 3.942 -2.378 1.00 0.00 O ATOM 1120 CB LYS A 73 16.900 6.360 -3.557 1.00 0.00 C ATOM 1121 CG LYS A 73 18.346 6.820 -3.450 1.00 0.00 C ATOM 1122 CD LYS A 73 18.943 7.045 -4.828 1.00 0.00 C ATOM 1123 CE LYS A 73 20.346 7.618 -4.756 1.00 0.00 C ATOM 1124 NZ LYS A 73 20.921 7.813 -6.112 1.00 0.00 N ATOM 0 H LYS A 73 14.676 4.620 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 73 17.499 4.976 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.318 7.135 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.488 6.248 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 73 18.397 7.742 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 73 18.931 6.074 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 73 18.965 6.100 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.304 7.723 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.325 8.571 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 73 20.985 6.948 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.880 8.206 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 20.963 6.899 -6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.323 8.471 -6.651 1.00 0.00 H new ATOM 1138 N LYS A 74 16.171 2.781 -3.667 1.00 0.00 N ATOM 1139 CA LYS A 74 16.180 1.574 -2.844 1.00 0.00 C ATOM 1140 C LYS A 74 15.570 1.866 -1.471 1.00 0.00 C ATOM 1141 O LYS A 74 16.228 1.770 -0.434 1.00 0.00 O ATOM 1142 CB LYS A 74 17.606 1.015 -2.718 1.00 0.00 C ATOM 1143 CG LYS A 74 17.688 -0.364 -2.081 1.00 0.00 C ATOM 1144 CD LYS A 74 19.122 -0.871 -2.048 1.00 0.00 C ATOM 1145 CE LYS A 74 20.029 0.083 -1.287 1.00 0.00 C ATOM 1146 NZ LYS A 74 21.458 -0.312 -1.374 1.00 0.00 N ATOM 0 H LYS A 74 15.577 2.714 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 74 15.570 0.812 -3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.054 0.970 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.205 1.710 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.291 -0.323 -1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.065 -1.063 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.151 -1.855 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.491 -0.992 -3.067 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.908 1.091 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.725 0.113 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.039 0.366 -0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.580 -1.263 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.757 -0.316 -2.370 1.00 0.00 H new ATOM 1160 N GLN A 75 14.303 2.253 -1.490 1.00 0.00 N ATOM 1161 CA GLN A 75 13.559 2.549 -0.270 1.00 0.00 C ATOM 1162 C GLN A 75 12.693 1.355 0.088 1.00 0.00 C ATOM 1163 O GLN A 75 11.976 0.840 -0.767 1.00 0.00 O ATOM 1164 CB GLN A 75 12.666 3.769 -0.486 1.00 0.00 C ATOM 1165 CG GLN A 75 13.405 5.011 -0.948 1.00 0.00 C ATOM 1166 CD GLN A 75 12.483 5.993 -1.639 1.00 0.00 C ATOM 1167 OE1 GLN A 75 12.307 5.936 -2.854 1.00 0.00 O ATOM 1168 NE2 GLN A 75 11.881 6.888 -0.872 1.00 0.00 N ATOM 0 H GLN A 75 13.762 2.371 -2.346 1.00 0.00 H new ATOM 0 HA GLN A 75 14.262 2.757 0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.903 3.520 -1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.148 3.995 0.446 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.873 5.495 -0.091 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.206 4.724 -1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.056 6.899 0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.242 7.567 -1.286 1.00 0.00 H new ATOM 1177 N ARG A 76 12.746 0.904 1.330 1.00 0.00 N ATOM 1178 CA ARG A 76 11.966 -0.258 1.718 1.00 0.00 C ATOM 1179 C ARG A 76 10.965 0.083 2.819 1.00 0.00 C ATOM 1180 O ARG A 76 11.333 0.583 3.886 1.00 0.00 O ATOM 1181 CB ARG A 76 12.886 -1.398 2.150 1.00 0.00 C ATOM 1182 CG ARG A 76 12.154 -2.711 2.359 1.00 0.00 C ATOM 1183 CD ARG A 76 13.115 -3.876 2.509 1.00 0.00 C ATOM 1184 NE ARG A 76 13.890 -4.106 1.289 1.00 0.00 N ATOM 1185 CZ ARG A 76 14.090 -5.306 0.747 1.00 0.00 C ATOM 1186 NH1 ARG A 76 13.546 -6.383 1.298 1.00 0.00 N ATOM 1187 NH2 ARG A 76 14.824 -5.423 -0.350 1.00 0.00 N ATOM 0 H ARG A 76 13.309 1.315 2.074 1.00 0.00 H new ATOM 0 HA ARG A 76 11.395 -0.585 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.660 -1.537 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 76 13.390 -1.119 3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.528 -2.640 3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.489 -2.895 1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.794 -3.682 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.556 -4.778 2.759 1.00 0.00 H new ATOM 0 HE ARG A 76 14.303 -3.297 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.974 -6.293 2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.700 -7.302 0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.236 -4.594 -0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.977 -6.342 -0.765 1.00 0.00 H new ATOM 1201 N PHE A 77 9.695 -0.182 2.536 1.00 0.00 N ATOM 1202 CA PHE A 77 8.615 0.064 3.483 1.00 0.00 C ATOM 1203 C PHE A 77 7.970 -1.255 3.896 1.00 0.00 C ATOM 1204 O PHE A 77 7.935 -2.201 3.114 1.00 0.00 O ATOM 1205 CB PHE A 77 7.552 0.980 2.866 1.00 0.00 C ATOM 1206 CG PHE A 77 8.056 2.344 2.487 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.632 2.567 1.245 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.948 3.407 3.370 1.00 0.00 C ATOM 1209 CE1 PHE A 77 9.089 3.822 0.893 1.00 0.00 C ATOM 1210 CE2 PHE A 77 8.404 4.665 3.023 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.976 4.872 1.783 1.00 0.00 C ATOM 0 H PHE A 77 9.386 -0.572 1.646 1.00 0.00 H new ATOM 0 HA PHE A 77 9.036 0.554 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 77 7.144 0.497 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.731 1.093 3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.724 1.750 0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.502 3.250 4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.534 3.982 -0.078 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.313 5.485 3.720 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.334 5.853 1.510 1.00 0.00 H new ATOM 1221 N ARG A 78 7.466 -1.313 5.118 1.00 0.00 N ATOM 1222 CA ARG A 78 6.841 -2.524 5.634 1.00 0.00 C ATOM 1223 C ARG A 78 5.333 -2.476 5.410 1.00 0.00 C ATOM 1224 O ARG A 78 4.656 -1.564 5.889 1.00 0.00 O ATOM 1225 CB ARG A 78 7.161 -2.695 7.125 1.00 0.00 C ATOM 1226 CG ARG A 78 6.636 -3.992 7.717 1.00 0.00 C ATOM 1227 CD ARG A 78 7.160 -4.228 9.128 1.00 0.00 C ATOM 1228 NE ARG A 78 6.710 -3.209 10.076 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.384 -2.864 11.176 1.00 0.00 C ATOM 1230 NH1 ARG A 78 8.552 -3.429 11.449 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.889 -1.956 12.007 1.00 0.00 N ATOM 0 H ARG A 78 7.477 -0.533 5.775 1.00 0.00 H new ATOM 0 HA ARG A 78 7.243 -3.383 5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.241 -2.654 7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.737 -1.856 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.546 -3.968 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.926 -4.826 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.833 -5.209 9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.250 -4.244 9.108 1.00 0.00 H new ATOM 0 HE ARG A 78 5.828 -2.733 9.885 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.939 -4.130 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.063 -3.162 12.290 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.990 -1.518 11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.408 -1.696 12.846 1.00 0.00 H new ATOM 1245 N LEU A 79 4.814 -3.471 4.697 1.00 0.00 N ATOM 1246 CA LEU A 79 3.403 -3.499 4.312 1.00 0.00 C ATOM 1247 C LEU A 79 2.498 -3.869 5.481 1.00 0.00 C ATOM 1248 O LEU A 79 1.280 -3.779 5.374 1.00 0.00 O ATOM 1249 CB LEU A 79 3.187 -4.486 3.165 1.00 0.00 C ATOM 1250 CG LEU A 79 3.835 -4.093 1.836 1.00 0.00 C ATOM 1251 CD1 LEU A 79 3.652 -5.197 0.807 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.242 -2.789 1.325 1.00 0.00 C ATOM 0 H LEU A 79 5.352 -4.274 4.371 1.00 0.00 H new ATOM 0 HA LEU A 79 3.137 -2.493 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.575 -5.459 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.115 -4.606 3.007 1.00 0.00 H new ATOM 0 HG LEU A 79 4.903 -3.949 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.119 -4.900 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.117 -6.113 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.588 -5.370 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.712 -2.522 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.169 -2.911 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.419 -1.998 2.054 1.00 0.00 H new ATOM 1264 N SER A 80 3.096 -4.280 6.593 1.00 0.00 N ATOM 1265 CA SER A 80 2.342 -4.670 7.782 1.00 0.00 C ATOM 1266 C SER A 80 1.459 -3.523 8.277 1.00 0.00 C ATOM 1267 O SER A 80 0.393 -3.748 8.851 1.00 0.00 O ATOM 1268 CB SER A 80 3.312 -5.097 8.880 1.00 0.00 C ATOM 1269 OG SER A 80 4.295 -5.976 8.363 1.00 0.00 O ATOM 0 H SER A 80 4.108 -4.353 6.698 1.00 0.00 H new ATOM 0 HA SER A 80 1.691 -5.505 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.792 -4.218 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.765 -5.588 9.685 1.00 0.00 H new ATOM 0 HG SER A 80 4.604 -6.575 9.074 1.00 0.00 H new ATOM 1275 N ASP A 81 1.914 -2.296 8.054 1.00 0.00 N ATOM 1276 CA ASP A 81 1.149 -1.110 8.418 1.00 0.00 C ATOM 1277 C ASP A 81 1.427 0.012 7.433 1.00 0.00 C ATOM 1278 O ASP A 81 0.581 0.364 6.619 1.00 0.00 O ATOM 1279 CB ASP A 81 1.497 -0.656 9.841 1.00 0.00 C ATOM 1280 CG ASP A 81 0.803 0.637 10.235 1.00 0.00 C ATOM 1281 OD1 ASP A 81 -0.340 0.572 10.735 1.00 0.00 O ATOM 1282 OD2 ASP A 81 1.403 1.716 10.055 1.00 0.00 O ATOM 0 H ASP A 81 2.815 -2.096 7.620 1.00 0.00 H new ATOM 0 HA ASP A 81 0.089 -1.361 8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.220 -1.440 10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.576 -0.522 9.921 1.00 0.00 H new ATOM 1287 N GLY A 82 2.632 0.547 7.502 1.00 0.00 N ATOM 1288 CA GLY A 82 3.022 1.636 6.634 1.00 0.00 C ATOM 1289 C GLY A 82 4.278 2.296 7.142 1.00 0.00 C ATOM 1290 O GLY A 82 4.398 3.521 7.149 1.00 0.00 O ATOM 0 H GLY A 82 3.357 0.243 8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.185 1.262 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.217 2.369 6.577 1.00 0.00 H new ATOM 1294 N LEU A 83 5.214 1.470 7.576 1.00 0.00 N ATOM 1295 CA LEU A 83 6.434 1.951 8.194 1.00 0.00 C ATOM 1296 C LEU A 83 7.587 1.890 7.208 1.00 0.00 C ATOM 1297 O LEU A 83 7.614 1.032 6.332 1.00 0.00 O ATOM 1298 CB LEU A 83 6.775 1.102 9.418 1.00 0.00 C ATOM 1299 CG LEU A 83 7.883 1.665 10.301 1.00 0.00 C ATOM 1300 CD1 LEU A 83 7.300 2.607 11.343 1.00 0.00 C ATOM 1301 CD2 LEU A 83 8.672 0.541 10.951 1.00 0.00 C ATOM 0 H LEU A 83 5.149 0.454 7.510 1.00 0.00 H new ATOM 0 HA LEU A 83 6.277 2.985 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.875 0.982 10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.068 0.107 9.082 1.00 0.00 H new ATOM 0 HG LEU A 83 8.572 2.236 9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.102 3.001 11.966 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.790 3.431 10.844 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.589 2.065 11.967 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.458 0.963 11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.005 -0.064 11.565 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.120 -0.083 10.178 1.00 0.00 H new ATOM 1313 N CYS A 84 8.532 2.796 7.351 1.00 0.00 N ATOM 1314 CA CYS A 84 9.750 2.744 6.569 1.00 0.00 C ATOM 1315 C CYS A 84 10.835 2.067 7.394 1.00 0.00 C ATOM 1316 O CYS A 84 10.824 2.151 8.621 1.00 0.00 O ATOM 1317 CB CYS A 84 10.181 4.149 6.153 1.00 0.00 C ATOM 1318 SG CYS A 84 11.636 4.193 5.077 1.00 0.00 S ATOM 0 H CYS A 84 8.480 3.579 8.003 1.00 0.00 H new ATOM 0 HA CYS A 84 9.577 2.170 5.659 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.350 4.635 5.641 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.389 4.733 7.049 1.00 0.00 H new ATOM 0 HG CYS A 84 11.674 5.328 4.445 1.00 0.00 H new ATOM 1324 N MET A 85 11.757 1.387 6.725 1.00 0.00 N ATOM 1325 CA MET A 85 12.793 0.625 7.411 1.00 0.00 C ATOM 1326 C MET A 85 13.630 1.530 8.319 1.00 0.00 C ATOM 1327 O MET A 85 13.627 1.371 9.540 1.00 0.00 O ATOM 1328 CB MET A 85 13.687 -0.084 6.388 1.00 0.00 C ATOM 1329 CG MET A 85 14.388 -1.323 6.930 1.00 0.00 C ATOM 1330 SD MET A 85 15.696 -0.952 8.113 1.00 0.00 S ATOM 1331 CE MET A 85 16.290 -2.604 8.473 1.00 0.00 C ATOM 0 H MET A 85 11.809 1.347 5.707 1.00 0.00 H new ATOM 0 HA MET A 85 12.310 -0.124 8.038 1.00 0.00 H new ATOM 0 HB2 MET A 85 13.081 -0.369 5.528 1.00 0.00 H new ATOM 0 HB3 MET A 85 14.439 0.619 6.030 1.00 0.00 H new ATOM 0 HG2 MET A 85 13.650 -1.968 7.407 1.00 0.00 H new ATOM 0 HG3 MET A 85 14.811 -1.884 6.097 1.00 0.00 H new ATOM 0 HE1 MET A 85 17.106 -2.548 9.194 1.00 0.00 H new ATOM 0 HE2 MET A 85 15.478 -3.200 8.889 1.00 0.00 H new ATOM 0 HE3 MET A 85 16.648 -3.070 7.555 1.00 0.00 H new ATOM 1341 N GLU A 86 14.323 2.490 7.721 1.00 0.00 N ATOM 1342 CA GLU A 86 15.181 3.391 8.484 1.00 0.00 C ATOM 1343 C GLU A 86 14.389 4.601 8.979 1.00 0.00 C ATOM 1344 O GLU A 86 14.641 5.129 10.063 1.00 0.00 O ATOM 1345 CB GLU A 86 16.349 3.853 7.615 1.00 0.00 C ATOM 1346 CG GLU A 86 17.419 4.612 8.380 1.00 0.00 C ATOM 1347 CD GLU A 86 18.479 5.187 7.468 1.00 0.00 C ATOM 1348 OE1 GLU A 86 19.118 4.410 6.728 1.00 0.00 O ATOM 1349 OE2 GLU A 86 18.665 6.423 7.474 1.00 0.00 O ATOM 0 H GLU A 86 14.309 2.666 6.716 1.00 0.00 H new ATOM 0 HA GLU A 86 15.566 2.853 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.803 2.983 7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.966 4.489 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.954 5.419 8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.888 3.944 9.103 1.00 0.00 H new ATOM 1356 N ASP A 87 13.407 5.006 8.183 1.00 0.00 N ATOM 1357 CA ASP A 87 12.620 6.206 8.457 1.00 0.00 C ATOM 1358 C ASP A 87 11.525 5.928 9.481 1.00 0.00 C ATOM 1359 O ASP A 87 10.615 6.729 9.639 1.00 0.00 O ATOM 1360 CB ASP A 87 12.005 6.771 7.179 1.00 0.00 C ATOM 1361 CG ASP A 87 12.081 8.283 7.138 1.00 0.00 C ATOM 1362 OD1 ASP A 87 12.387 8.896 8.182 1.00 0.00 O ATOM 1363 OD2 ASP A 87 11.876 8.865 6.051 1.00 0.00 O ATOM 0 H ASP A 87 13.133 4.515 7.332 1.00 0.00 H new ATOM 0 HA ASP A 87 13.302 6.948 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.522 6.358 6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.964 6.457 7.108 1.00 0.00 H new ATOM 1368 N GLU A 88 11.596 4.755 10.109 1.00 0.00 N ATOM 1369 CA GLU A 88 10.636 4.303 11.131 1.00 0.00 C ATOM 1370 C GLU A 88 10.092 5.446 12.007 1.00 0.00 C ATOM 1371 O GLU A 88 8.908 5.462 12.347 1.00 0.00 O ATOM 1372 CB GLU A 88 11.323 3.252 12.009 1.00 0.00 C ATOM 1373 CG GLU A 88 10.481 2.744 13.167 1.00 0.00 C ATOM 1374 CD GLU A 88 11.185 1.669 13.965 1.00 0.00 C ATOM 1375 OE1 GLU A 88 12.042 2.012 14.806 1.00 0.00 O ATOM 1376 OE2 GLU A 88 10.889 0.473 13.754 1.00 0.00 O ATOM 0 H GLU A 88 12.334 4.075 9.923 1.00 0.00 H new ATOM 0 HA GLU A 88 9.774 3.883 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.606 2.405 11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.245 3.677 12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.233 3.577 13.825 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.540 2.350 12.783 1.00 0.00 H new ATOM 1383 N GLN A 89 10.954 6.399 12.356 1.00 0.00 N ATOM 1384 CA GLN A 89 10.556 7.539 13.184 1.00 0.00 C ATOM 1385 C GLN A 89 9.425 8.341 12.527 1.00 0.00 C ATOM 1386 O GLN A 89 8.477 8.758 13.192 1.00 0.00 O ATOM 1387 CB GLN A 89 11.754 8.457 13.426 1.00 0.00 C ATOM 1388 CG GLN A 89 12.967 7.748 14.004 1.00 0.00 C ATOM 1389 CD GLN A 89 14.117 8.697 14.279 1.00 0.00 C ATOM 1390 OE1 GLN A 89 14.239 9.242 15.376 1.00 0.00 O ATOM 1391 NE2 GLN A 89 14.961 8.912 13.282 1.00 0.00 N ATOM 0 H GLN A 89 11.935 6.405 12.078 1.00 0.00 H new ATOM 0 HA GLN A 89 10.194 7.147 14.134 1.00 0.00 H new ATOM 0 HB2 GLN A 89 12.035 8.927 12.484 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.455 9.256 14.104 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.684 7.247 14.930 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.296 6.974 13.311 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.825 8.440 12.388 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.747 9.549 13.408 1.00 0.00 H new ATOM 1400 N PHE A 90 9.528 8.536 11.221 1.00 0.00 N ATOM 1401 CA PHE A 90 8.561 9.329 10.476 1.00 0.00 C ATOM 1402 C PHE A 90 8.235 8.641 9.150 1.00 0.00 C ATOM 1403 O PHE A 90 8.841 8.928 8.118 1.00 0.00 O ATOM 1404 CB PHE A 90 9.118 10.739 10.241 1.00 0.00 C ATOM 1405 CG PHE A 90 8.180 11.674 9.531 1.00 0.00 C ATOM 1406 CD1 PHE A 90 7.018 12.110 10.143 1.00 0.00 C ATOM 1407 CD2 PHE A 90 8.474 12.131 8.255 1.00 0.00 C ATOM 1408 CE1 PHE A 90 6.163 12.981 9.498 1.00 0.00 C ATOM 1409 CE2 PHE A 90 7.622 13.001 7.604 1.00 0.00 C ATOM 1410 CZ PHE A 90 6.466 13.428 8.226 1.00 0.00 C ATOM 0 H PHE A 90 10.280 8.151 10.650 1.00 0.00 H new ATOM 0 HA PHE A 90 7.639 9.415 11.052 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.384 11.175 11.204 1.00 0.00 H new ATOM 0 HB3 PHE A 90 10.038 10.660 9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.777 11.765 11.138 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.379 11.803 7.765 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.259 13.313 9.987 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.860 13.347 6.609 1.00 0.00 H new ATOM 0 HZ PHE A 90 5.800 14.110 7.719 1.00 0.00 H new ATOM 1420 N SER A 91 7.307 7.699 9.198 1.00 0.00 N ATOM 1421 CA SER A 91 6.941 6.923 8.023 1.00 0.00 C ATOM 1422 C SER A 91 5.682 7.479 7.352 1.00 0.00 C ATOM 1423 O SER A 91 5.267 8.607 7.626 1.00 0.00 O ATOM 1424 CB SER A 91 6.747 5.467 8.429 1.00 0.00 C ATOM 1425 OG SER A 91 7.935 4.958 9.017 1.00 0.00 O ATOM 0 H SER A 91 6.791 7.452 10.042 1.00 0.00 H new ATOM 0 HA SER A 91 7.745 6.991 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.920 5.386 9.135 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.481 4.871 7.556 1.00 0.00 H new ATOM 0 HG SER A 91 7.914 5.114 9.984 1.00 0.00 H new ATOM 1431 N VAL A 92 5.075 6.682 6.473 1.00 0.00 N ATOM 1432 CA VAL A 92 3.956 7.147 5.662 1.00 0.00 C ATOM 1433 C VAL A 92 2.608 6.841 6.313 1.00 0.00 C ATOM 1434 O VAL A 92 2.538 6.237 7.383 1.00 0.00 O ATOM 1435 CB VAL A 92 3.988 6.539 4.240 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.231 6.999 3.492 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.922 5.019 4.292 1.00 0.00 C ATOM 0 H VAL A 92 5.341 5.712 6.306 1.00 0.00 H new ATOM 0 HA VAL A 92 4.068 8.229 5.587 1.00 0.00 H new ATOM 0 HB VAL A 92 3.109 6.893 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.237 6.562 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.226 8.086 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.121 6.679 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.946 4.619 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.775 4.637 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.998 4.711 4.781 1.00 0.00 H new ATOM 1447 N LYS A 93 1.543 7.263 5.643 1.00 0.00 N ATOM 1448 CA LYS A 93 0.189 7.154 6.168 1.00 0.00 C ATOM 1449 C LYS A 93 -0.433 5.805 5.801 1.00 0.00 C ATOM 1450 O LYS A 93 -0.330 5.354 4.658 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.652 8.306 5.605 1.00 0.00 C ATOM 1452 CG LYS A 93 -2.032 8.455 6.225 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.728 9.693 5.681 1.00 0.00 C ATOM 1454 CE LYS A 93 -4.091 9.908 6.315 1.00 0.00 C ATOM 1455 NZ LYS A 93 -4.750 11.135 5.797 1.00 0.00 N ATOM 0 H LYS A 93 1.595 7.691 4.719 1.00 0.00 H new ATOM 0 HA LYS A 93 0.217 7.216 7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.104 9.238 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.766 8.162 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.631 7.570 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.945 8.526 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.103 10.568 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.842 9.599 4.601 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.725 9.043 6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.982 9.983 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.655 11.277 6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.134 11.956 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.923 11.032 4.777 1.00 0.00 H new ATOM 1469 N HIS A 94 -1.069 5.168 6.778 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.719 3.876 6.572 1.00 0.00 C ATOM 1471 C HIS A 94 -3.236 4.048 6.529 1.00 0.00 C ATOM 1472 O HIS A 94 -3.825 4.654 7.426 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.314 2.902 7.696 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.988 1.554 7.652 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.128 0.756 8.766 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -2.553 0.863 6.631 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.752 -0.357 8.436 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -3.023 -0.319 7.147 1.00 0.00 N ATOM 0 H HIS A 94 -1.149 5.528 7.729 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.395 3.462 5.617 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.235 2.752 7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.534 3.369 8.656 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.799 0.990 9.703 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.621 1.184 5.602 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.000 -1.165 9.109 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.855 3.523 5.481 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.303 3.562 5.341 1.00 0.00 C ATOM 1489 C TYR A 95 -5.870 2.170 5.594 1.00 0.00 C ATOM 1490 O TYR A 95 -5.229 1.166 5.275 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.708 4.037 3.937 1.00 0.00 C ATOM 1492 CG TYR A 95 -5.100 5.360 3.519 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -3.778 5.436 3.094 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -5.849 6.531 3.535 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -3.223 6.636 2.699 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -5.298 7.737 3.142 1.00 0.00 C ATOM 1497 CZ TYR A 95 -3.984 7.784 2.726 1.00 0.00 C ATOM 1498 OH TYR A 95 -3.430 8.978 2.323 1.00 0.00 O ATOM 0 H TYR A 95 -3.372 3.062 4.710 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.705 4.267 6.069 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.420 3.275 3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.794 4.122 3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -3.175 4.540 3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.878 6.498 3.860 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.195 6.675 2.370 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.894 8.638 3.161 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.987 9.720 2.639 1.00 0.00 H new ATOM 1508 N GLU A 96 -7.060 2.104 6.165 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.689 0.826 6.464 1.00 0.00 C ATOM 1510 C GLU A 96 -8.342 0.263 5.208 1.00 0.00 C ATOM 1511 O GLU A 96 -8.978 0.997 4.454 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.729 0.979 7.581 1.00 0.00 C ATOM 1513 CG GLU A 96 -8.134 1.144 8.976 1.00 0.00 C ATOM 1514 CD GLU A 96 -7.277 2.387 9.122 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -7.838 3.501 9.138 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -6.039 2.254 9.229 1.00 0.00 O ATOM 0 H GLU A 96 -7.612 2.920 6.432 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.921 0.133 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.356 1.843 7.362 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.380 0.105 7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.943 1.181 9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.532 0.267 9.212 1.00 0.00 H new ATOM 1523 N ALA A 97 -8.185 -1.031 4.980 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.714 -1.655 3.778 1.00 0.00 C ATOM 1525 C ALA A 97 -9.548 -2.880 4.117 1.00 0.00 C ATOM 1526 O ALA A 97 -9.292 -3.560 5.113 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.578 -2.034 2.841 1.00 0.00 C ATOM 0 H ALA A 97 -7.697 -1.668 5.609 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.362 -0.934 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.986 -2.500 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.022 -1.139 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.911 -2.735 3.343 1.00 0.00 H new ATOM 1533 N ARG A 98 -10.555 -3.143 3.295 1.00 0.00 N ATOM 1534 CA ARG A 98 -11.385 -4.329 3.450 1.00 0.00 C ATOM 1535 C ARG A 98 -11.839 -4.827 2.085 1.00 0.00 C ATOM 1536 O ARG A 98 -11.845 -4.072 1.111 1.00 0.00 O ATOM 1537 CB ARG A 98 -12.618 -4.034 4.313 1.00 0.00 C ATOM 1538 CG ARG A 98 -13.630 -3.116 3.638 1.00 0.00 C ATOM 1539 CD ARG A 98 -14.904 -2.978 4.458 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.617 -4.250 4.585 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.586 -4.474 5.470 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.966 -3.514 6.305 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.172 -5.661 5.517 1.00 0.00 N ATOM 0 H ARG A 98 -10.817 -2.547 2.510 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.787 -5.094 3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.106 -4.975 4.567 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.295 -3.579 5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.185 -2.132 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.874 -3.508 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.657 -2.601 5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.558 -2.242 3.991 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.356 -5.011 3.958 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.515 -2.600 6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.709 -3.691 6.981 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.880 -6.399 4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -17.915 -5.837 6.194 1.00 0.00 H new ATOM 1557 N VAL A 99 -12.218 -6.091 2.021 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.767 -6.661 0.806 1.00 0.00 C ATOM 1559 C VAL A 99 -14.223 -7.039 1.025 1.00 0.00 C ATOM 1560 O VAL A 99 -14.536 -7.966 1.774 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.967 -7.891 0.342 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.615 -8.535 -0.875 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.536 -7.495 0.032 1.00 0.00 C ATOM 0 H VAL A 99 -12.155 -6.745 2.802 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.699 -5.907 0.022 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.964 -8.623 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.030 -9.402 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.627 -8.851 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.652 -7.814 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.978 -8.373 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.529 -6.745 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.071 -7.083 0.927 1.00 0.00 H new ATOM 1573 N LYS A 100 -15.105 -6.301 0.382 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.533 -6.486 0.551 1.00 0.00 C ATOM 1575 C LYS A 100 -17.160 -6.925 -0.756 1.00 0.00 C ATOM 1576 O LYS A 100 -17.122 -6.187 -1.737 1.00 0.00 O ATOM 1577 CB LYS A 100 -17.161 -5.179 1.008 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.637 -5.290 1.342 1.00 0.00 C ATOM 1579 CD LYS A 100 -19.212 -3.944 1.738 1.00 0.00 C ATOM 1580 CE LYS A 100 -20.721 -4.005 1.880 1.00 0.00 C ATOM 1581 NZ LYS A 100 -21.381 -4.447 0.621 1.00 0.00 N ATOM 0 H LYS A 100 -14.854 -5.558 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.708 -7.257 1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.626 -4.818 1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -17.031 -4.431 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -19.179 -5.681 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.776 -6.002 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.769 -3.621 2.680 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.946 -3.199 0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.982 -4.690 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -21.099 -3.022 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -22.411 -4.330 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -21.034 -3.872 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -21.160 -5.448 0.446 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.715 -8.134 -0.767 1.00 0.00 N ATOM 1596 CA ASP A 101 -18.326 -8.702 -1.969 1.00 0.00 C ATOM 1597 C ASP A 101 -17.281 -8.847 -3.064 1.00 0.00 C ATOM 1598 O ASP A 101 -17.599 -8.860 -4.254 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.490 -7.832 -2.463 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.615 -7.731 -1.455 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -21.322 -8.739 -1.243 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.807 -6.640 -0.875 1.00 0.00 O ATOM 0 H ASP A 101 -17.755 -8.745 0.049 1.00 0.00 H new ATOM 0 HA ASP A 101 -18.722 -9.686 -1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.120 -6.832 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.878 -8.246 -3.394 1.00 0.00 H new ATOM 1607 N GLY A 102 -16.029 -8.970 -2.644 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.933 -9.053 -3.582 1.00 0.00 C ATOM 1609 C GLY A 102 -14.431 -7.688 -4.015 1.00 0.00 C ATOM 1610 O GLY A 102 -13.595 -7.590 -4.912 1.00 0.00 O ATOM 0 H GLY A 102 -15.754 -9.014 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.113 -9.611 -3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.253 -9.614 -4.460 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.926 -6.632 -3.375 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.557 -5.274 -3.755 1.00 0.00 C ATOM 1616 C VAL A 103 -13.675 -4.639 -2.684 1.00 0.00 C ATOM 1617 O VAL A 103 -13.984 -4.706 -1.494 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.804 -4.389 -3.979 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.413 -3.031 -4.538 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.799 -5.077 -4.899 1.00 0.00 C ATOM 0 H VAL A 103 -15.580 -6.691 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.004 -5.340 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.282 -4.235 -3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.308 -2.427 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.748 -2.527 -3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -14.902 -3.163 -5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.668 -4.434 -5.041 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.329 -5.271 -5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.115 -6.020 -4.453 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.578 -4.035 -3.112 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.650 -3.390 -2.196 1.00 0.00 C ATOM 1632 C VAL A 104 -12.185 -2.028 -1.779 1.00 0.00 C ATOM 1633 O VAL A 104 -12.336 -1.132 -2.611 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.256 -3.201 -2.833 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.262 -2.675 -1.806 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.760 -4.505 -3.442 1.00 0.00 C ATOM 0 H VAL A 104 -12.307 -3.978 -4.094 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.552 -4.040 -1.327 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.344 -2.464 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.286 -2.549 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.608 -1.714 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.180 -3.385 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.776 -4.349 -3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.691 -5.266 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.457 -4.835 -4.213 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.488 -1.880 -0.502 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.955 -0.608 0.024 1.00 0.00 C ATOM 1648 C GLN A 105 -11.919 -0.024 0.969 1.00 0.00 C ATOM 1649 O GLN A 105 -11.326 -0.748 1.774 1.00 0.00 O ATOM 1650 CB GLN A 105 -14.295 -0.768 0.741 1.00 0.00 C ATOM 1651 CG GLN A 105 -15.424 -1.211 -0.175 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.767 -1.235 0.522 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.853 -1.474 1.727 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.828 -0.993 -0.232 1.00 0.00 N ATOM 0 H GLN A 105 -12.419 -2.625 0.191 1.00 0.00 H new ATOM 0 HA GLN A 105 -13.100 0.075 -0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -14.183 -1.496 1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -14.565 0.181 1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.476 -0.539 -1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -15.203 -2.205 -0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.713 -0.799 -1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.760 -1.000 0.182 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.693 1.274 0.859 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.688 1.943 1.670 1.00 0.00 C ATOM 1665 C LEU A 106 -11.329 2.910 2.658 1.00 0.00 C ATOM 1666 O LEU A 106 -12.276 3.622 2.325 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.696 2.697 0.782 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.907 1.836 -0.206 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.938 2.697 -0.998 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -8.164 0.728 0.523 1.00 0.00 C ATOM 0 H LEU A 106 -12.193 1.887 0.215 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.156 1.176 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.242 3.455 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.989 3.223 1.423 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.609 1.375 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.383 2.071 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.493 3.455 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.242 3.183 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.609 0.127 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.471 1.166 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.879 0.095 1.049 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.801 2.916 3.869 1.00 0.00 N ATOM 1683 CA ARG A 107 -11.236 3.830 4.913 1.00 0.00 C ATOM 1684 C ARG A 107 -10.048 4.633 5.410 1.00 0.00 C ATOM 1685 O ARG A 107 -8.936 4.113 5.508 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.868 3.061 6.080 1.00 0.00 C ATOM 1687 CG ARG A 107 -12.109 3.902 7.329 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.701 3.067 8.451 1.00 0.00 C ATOM 1689 NE ARG A 107 -12.742 3.781 9.726 1.00 0.00 N ATOM 1690 CZ ARG A 107 -12.050 3.413 10.805 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -11.194 2.401 10.734 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -12.207 4.064 11.948 1.00 0.00 N ATOM 0 H ARG A 107 -10.054 2.284 4.158 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.986 4.503 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.818 2.641 5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -11.222 2.223 6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.169 4.344 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.783 4.725 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -13.711 2.763 8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -12.114 2.156 8.568 1.00 0.00 H new ATOM 0 HE ARG A 107 -13.334 4.609 9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -11.065 1.903 9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.666 2.121 11.560 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -12.858 4.848 12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.677 3.782 12.773 1.00 0.00 H new ATOM 1706 N GLY A 108 -10.280 5.895 5.699 1.00 0.00 N ATOM 1707 CA GLY A 108 -9.233 6.722 6.254 1.00 0.00 C ATOM 1708 C GLY A 108 -9.517 8.188 6.082 1.00 0.00 C ATOM 1709 O GLY A 108 -9.869 8.881 7.035 1.00 0.00 O ATOM 0 H GLY A 108 -11.174 6.366 5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -9.119 6.498 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.286 6.478 5.773 1.00 0.00 H new