USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HD1:sc= -1.65 X(o=-1.6,f=-1.4) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0213 USER MOD Set 2.1: A 74 ASN : amide:sc= -3.61! C(o=-5!,f=-6!) USER MOD Set 2.2: A 77 ASN : amide:sc= -1.38 X(o=-5,f=-5.2) USER MOD Set 3.1: A 46 ASN : amide:sc= -0.0168 K(o=0.47,f=-0.96) USER MOD Set 3.2: A 50 SER OG : rot 29:sc= 0.485 USER MOD Set 4.1: A 24 SER OG : rot -35:sc= 1.24 USER MOD Set 4.2: A 27 ASN : amide:sc= -1.93! C(o=-0.69!,f=-7.7!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -125:sc= -0.218 (180deg=-0.796) USER MOD Single : A 12 MET CE :methyl -154:sc= -10.8! (180deg=-12.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -93:sc= -2.3! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.14 F(o=-2.4!,f=-1.1) USER MOD Single : A 40 THR OG1 : rot -87:sc=-0.000317 USER MOD Single : A 41 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.9!) USER MOD Single : A 43 THR OG1 : rot 10:sc= 0.812 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -20:sc= -0.0263 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -4.42! C(o=-4.4!,f=-5.8!) USER MOD Single : A 59 ASN : amide:sc= -2.83! C(o=-2.8!,f=-7.9!) USER MOD Single : A 60 SER OG : rot -49:sc= -0.373 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 70:sc= 1.16 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00549 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -65:sc= 0.26 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.733 USER MOD Single : A 93 ASN : amide:sc= -0.136 X(o=-0.14,f=0.016) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00105) USER MOD Single : A 100 SER OG : rot -23:sc= 0.252 USER MOD Single : A 103 ASN : amide:sc= -1.65! C(o=-1.7!,f=-1.7!) USER MOD Single : A 105 MET CE :methyl -139:sc= -0.868 (180deg=-2.63) USER MOD Single : A 106 ASN : amide:sc=-0.00308 X(o=-0.0031,f=0) USER MOD Single : A 113 ASN :FLIP amide:sc= -0.191 F(o=-1.7!,f=-0.19) USER MOD Single : A 116 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0994) USER MOD Single : A 118 THR OG1 : rot -60:sc= 1.02 USER MOD Single : A 121 GLN : amide:sc=-0.00322 X(o=-0.0032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.164 -10.245 2.293 1.00 0.00 N ATOM 2 CA LYS A 1 -6.036 -10.819 1.514 1.00 0.00 C ATOM 3 C LYS A 1 -4.953 -9.775 1.262 1.00 0.00 C ATOM 4 O LYS A 1 -5.067 -8.957 0.350 1.00 0.00 O ATOM 5 CB LYS A 1 -6.581 -11.345 0.185 1.00 0.00 C ATOM 6 CG LYS A 1 -6.147 -12.768 -0.129 1.00 0.00 C ATOM 7 CD LYS A 1 -6.034 -12.998 -1.628 1.00 0.00 C ATOM 8 CE LYS A 1 -7.341 -13.511 -2.212 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.728 -14.828 -1.635 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.886 -10.977 2.450 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.814 -9.902 3.210 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.583 -9.453 1.765 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.583 -11.631 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.670 -11.302 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.251 -10.687 -0.619 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.186 -12.969 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.865 -13.470 0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.755 -12.066 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.238 -13.715 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.132 -12.785 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.244 -13.603 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.873 -15.514 -2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.972 -15.167 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.609 -14.724 -1.093 1.00 0.00 H new ATOM 25 N VAL A 2 -3.906 -9.808 2.080 1.00 0.00 N ATOM 26 CA VAL A 2 -2.800 -8.864 1.953 1.00 0.00 C ATOM 27 C VAL A 2 -1.588 -9.528 1.300 1.00 0.00 C ATOM 28 O VAL A 2 -1.309 -10.703 1.542 1.00 0.00 O ATOM 29 CB VAL A 2 -2.389 -8.304 3.333 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.088 -7.524 3.245 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.490 -7.424 3.903 1.00 0.00 C ATOM 0 H VAL A 2 -3.800 -10.480 2.840 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.144 -8.044 1.322 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.234 -9.151 4.002 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.825 -7.143 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.294 -8.179 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.210 -6.690 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.182 -7.039 4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.677 -6.591 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.402 -8.010 4.018 1.00 0.00 H new ATOM 41 N PHE A 3 -0.853 -8.763 0.495 1.00 0.00 N ATOM 42 CA PHE A 3 0.342 -9.268 -0.163 1.00 0.00 C ATOM 43 C PHE A 3 1.487 -9.363 0.833 1.00 0.00 C ATOM 44 O PHE A 3 1.427 -8.792 1.922 1.00 0.00 O ATOM 45 CB PHE A 3 0.771 -8.335 -1.299 1.00 0.00 C ATOM 46 CG PHE A 3 -0.141 -8.331 -2.489 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.600 -9.515 -3.037 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.523 -7.134 -3.071 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.428 -9.507 -4.141 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.347 -7.118 -4.175 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.802 -8.306 -4.714 1.00 0.00 C ATOM 0 H PHE A 3 -1.068 -7.788 0.285 1.00 0.00 H new ATOM 0 HA PHE A 3 0.109 -10.254 -0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.841 -7.319 -0.909 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.771 -8.620 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.307 -10.456 -2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.171 -6.202 -2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.783 -10.438 -4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.637 -6.177 -4.619 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.447 -8.296 -5.580 1.00 0.00 H new ATOM 61 N GLY A 4 2.538 -10.064 0.443 1.00 0.00 N ATOM 62 CA GLY A 4 3.697 -10.196 1.302 1.00 0.00 C ATOM 63 C GLY A 4 4.701 -9.091 1.042 1.00 0.00 C ATOM 64 O GLY A 4 4.330 -8.007 0.591 1.00 0.00 O ATOM 0 H GLY A 4 2.611 -10.545 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.384 -10.168 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.168 -11.165 1.136 1.00 0.00 H new ATOM 68 N ARG A 5 5.971 -9.358 1.315 1.00 0.00 N ATOM 69 CA ARG A 5 7.015 -8.366 1.092 1.00 0.00 C ATOM 70 C ARG A 5 7.591 -8.493 -0.307 1.00 0.00 C ATOM 71 O ARG A 5 7.555 -7.542 -1.088 1.00 0.00 O ATOM 72 CB ARG A 5 8.123 -8.504 2.137 1.00 0.00 C ATOM 73 CG ARG A 5 7.621 -8.420 3.570 1.00 0.00 C ATOM 74 CD ARG A 5 8.128 -7.167 4.264 1.00 0.00 C ATOM 75 NE ARG A 5 8.796 -7.472 5.526 1.00 0.00 N ATOM 76 CZ ARG A 5 8.311 -7.135 6.718 1.00 0.00 C ATOM 77 NH1 ARG A 5 7.160 -6.484 6.810 1.00 0.00 N ATOM 78 NH2 ARG A 5 8.979 -7.449 7.820 1.00 0.00 N ATOM 0 H ARG A 5 6.302 -10.247 1.689 1.00 0.00 H new ATOM 0 HA ARG A 5 6.567 -7.377 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.630 -9.458 1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.864 -7.722 1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.531 -8.425 3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.947 -9.301 4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.820 -6.643 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.292 -6.492 4.450 1.00 0.00 H new ATOM 0 HE ARG A 5 9.685 -7.972 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.643 -6.240 5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 5 6.791 -6.227 7.726 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.865 -7.949 7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.606 -7.190 8.734 1.00 0.00 H new ATOM 92 N CYS A 6 8.123 -9.665 -0.625 1.00 0.00 N ATOM 93 CA CYS A 6 8.698 -9.885 -1.938 1.00 0.00 C ATOM 94 C CYS A 6 7.632 -10.275 -2.945 1.00 0.00 C ATOM 95 O CYS A 6 7.690 -9.858 -4.093 1.00 0.00 O ATOM 96 CB CYS A 6 9.780 -10.950 -1.895 1.00 0.00 C ATOM 97 SG CYS A 6 10.929 -10.792 -0.492 1.00 0.00 S ATOM 0 H CYS A 6 8.167 -10.468 0.003 1.00 0.00 H new ATOM 0 HA CYS A 6 9.149 -8.944 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.307 -11.931 -1.854 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.350 -10.910 -2.823 1.00 0.00 H new ATOM 102 N GLU A 7 6.651 -11.065 -2.517 1.00 0.00 N ATOM 103 CA GLU A 7 5.577 -11.471 -3.416 1.00 0.00 C ATOM 104 C GLU A 7 5.090 -10.251 -4.185 1.00 0.00 C ATOM 105 O GLU A 7 5.034 -10.244 -5.418 1.00 0.00 O ATOM 106 CB GLU A 7 4.425 -12.100 -2.631 1.00 0.00 C ATOM 107 CG GLU A 7 4.387 -13.617 -2.717 1.00 0.00 C ATOM 108 CD GLU A 7 3.756 -14.254 -1.494 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.474 -14.456 -0.493 1.00 0.00 O ATOM 110 OE2 GLU A 7 2.543 -14.552 -1.539 1.00 0.00 O ATOM 0 H GLU A 7 6.578 -11.432 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 7 5.953 -12.219 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.506 -11.806 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.482 -11.700 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.829 -13.913 -3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.402 -13.996 -2.837 1.00 0.00 H new ATOM 117 N LEU A 8 4.772 -9.205 -3.433 1.00 0.00 N ATOM 118 CA LEU A 8 4.320 -7.954 -4.007 1.00 0.00 C ATOM 119 C LEU A 8 5.433 -7.310 -4.833 1.00 0.00 C ATOM 120 O LEU A 8 5.171 -6.772 -5.906 1.00 0.00 O ATOM 121 CB LEU A 8 3.864 -6.999 -2.895 1.00 0.00 C ATOM 122 CG LEU A 8 3.305 -5.644 -3.352 1.00 0.00 C ATOM 123 CD1 LEU A 8 4.422 -4.620 -3.481 1.00 0.00 C ATOM 124 CD2 LEU A 8 2.547 -5.778 -4.667 1.00 0.00 C ATOM 0 H LEU A 8 4.821 -9.204 -2.414 1.00 0.00 H new ATOM 0 HA LEU A 8 3.476 -8.158 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.100 -7.503 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.710 -6.815 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 8 2.604 -5.297 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.006 -3.666 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.912 -4.492 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.150 -4.966 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.162 -4.803 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.219 -6.155 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.716 -6.472 -4.539 1.00 0.00 H new ATOM 136 N ALA A 9 6.674 -7.365 -4.330 1.00 0.00 N ATOM 137 CA ALA A 9 7.806 -6.769 -5.039 1.00 0.00 C ATOM 138 C ALA A 9 8.036 -7.436 -6.388 1.00 0.00 C ATOM 139 O ALA A 9 8.110 -6.761 -7.413 1.00 0.00 O ATOM 140 CB ALA A 9 9.066 -6.828 -4.197 1.00 0.00 C ATOM 0 H ALA A 9 6.914 -7.811 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 9 7.560 -5.723 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.893 -6.378 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.908 -6.281 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.304 -7.867 -3.970 1.00 0.00 H new ATOM 146 N ALA A 10 8.144 -8.761 -6.391 1.00 0.00 N ATOM 147 CA ALA A 10 8.349 -9.501 -7.624 1.00 0.00 C ATOM 148 C ALA A 10 7.318 -9.071 -8.652 1.00 0.00 C ATOM 149 O ALA A 10 7.619 -8.947 -9.839 1.00 0.00 O ATOM 150 CB ALA A 10 8.263 -10.999 -7.370 1.00 0.00 C ATOM 0 H ALA A 10 8.093 -9.340 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 10 9.345 -9.283 -8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.419 -11.536 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.029 -11.291 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.279 -11.244 -6.971 1.00 0.00 H new ATOM 156 N ALA A 11 6.097 -8.826 -8.180 1.00 0.00 N ATOM 157 CA ALA A 11 5.027 -8.385 -9.057 1.00 0.00 C ATOM 158 C ALA A 11 5.344 -7.019 -9.623 1.00 0.00 C ATOM 159 O ALA A 11 5.041 -6.713 -10.776 1.00 0.00 O ATOM 160 CB ALA A 11 3.695 -8.378 -8.324 1.00 0.00 C ATOM 0 H ALA A 11 5.830 -8.926 -7.201 1.00 0.00 H new ATOM 0 HA ALA A 11 4.945 -9.088 -9.886 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.909 -8.044 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.468 -9.384 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.752 -7.700 -7.472 1.00 0.00 H new ATOM 166 N MET A 12 5.970 -6.214 -8.794 1.00 0.00 N ATOM 167 CA MET A 12 6.365 -4.861 -9.184 1.00 0.00 C ATOM 168 C MET A 12 7.358 -4.914 -10.337 1.00 0.00 C ATOM 169 O MET A 12 7.187 -4.235 -11.351 1.00 0.00 O ATOM 170 CB MET A 12 7.006 -4.111 -8.018 1.00 0.00 C ATOM 171 CG MET A 12 6.316 -4.332 -6.687 1.00 0.00 C ATOM 172 SD MET A 12 4.695 -3.551 -6.617 1.00 0.00 S ATOM 173 CE MET A 12 5.106 -1.892 -7.150 1.00 0.00 C ATOM 0 H MET A 12 6.222 -6.466 -7.838 1.00 0.00 H new ATOM 0 HA MET A 12 5.462 -4.333 -9.491 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.048 -4.419 -7.931 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.007 -3.044 -8.242 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.209 -5.402 -6.510 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.942 -3.937 -5.886 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.380 -1.189 -6.742 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.103 -1.632 -6.794 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.086 -1.844 -8.239 1.00 0.00 H new ATOM 183 N LYS A 13 8.397 -5.728 -10.167 1.00 0.00 N ATOM 184 CA LYS A 13 9.427 -5.879 -11.188 1.00 0.00 C ATOM 185 C LYS A 13 8.790 -6.187 -12.533 1.00 0.00 C ATOM 186 O LYS A 13 9.098 -5.548 -13.539 1.00 0.00 O ATOM 187 CB LYS A 13 10.402 -6.992 -10.802 1.00 0.00 C ATOM 188 CG LYS A 13 11.745 -6.897 -11.507 1.00 0.00 C ATOM 189 CD LYS A 13 12.411 -8.258 -11.625 1.00 0.00 C ATOM 190 CE LYS A 13 13.206 -8.380 -12.914 1.00 0.00 C ATOM 191 NZ LYS A 13 14.205 -9.482 -12.849 1.00 0.00 N ATOM 0 H LYS A 13 8.547 -6.293 -9.331 1.00 0.00 H new ATOM 0 HA LYS A 13 9.980 -4.943 -11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.564 -6.964 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.948 -7.956 -11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.606 -6.472 -12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.398 -6.218 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.072 -8.416 -10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.652 -9.040 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.524 -8.557 -13.746 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.717 -7.439 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.726 -9.532 -13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.872 -9.301 -12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.716 -10.385 -12.682 1.00 0.00 H new ATOM 205 N ARG A 14 7.892 -7.164 -12.538 1.00 0.00 N ATOM 206 CA ARG A 14 7.199 -7.551 -13.754 1.00 0.00 C ATOM 207 C ARG A 14 6.359 -6.392 -14.268 1.00 0.00 C ATOM 208 O ARG A 14 6.214 -6.204 -15.476 1.00 0.00 O ATOM 209 CB ARG A 14 6.313 -8.772 -13.501 1.00 0.00 C ATOM 210 CG ARG A 14 6.765 -10.017 -14.247 1.00 0.00 C ATOM 211 CD ARG A 14 5.777 -11.158 -14.074 1.00 0.00 C ATOM 212 NE ARG A 14 6.382 -12.312 -13.413 1.00 0.00 N ATOM 213 CZ ARG A 14 7.130 -13.214 -14.043 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.362 -13.097 -15.344 1.00 0.00 N ATOM 215 NH2 ARG A 14 7.645 -14.235 -13.372 1.00 0.00 N ATOM 0 H ARG A 14 7.628 -7.701 -11.712 1.00 0.00 H new ATOM 0 HA ARG A 14 7.941 -7.812 -14.508 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.298 -8.984 -12.432 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.290 -8.535 -13.793 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.876 -9.788 -15.307 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.745 -10.325 -13.883 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.923 -10.813 -13.491 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.396 -11.458 -15.050 1.00 0.00 H new ATOM 0 HE ARG A 14 6.222 -12.433 -12.413 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.966 -12.314 -15.864 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.936 -13.790 -15.824 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.468 -14.329 -12.372 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.218 -14.926 -13.856 1.00 0.00 H new ATOM 229 N HIS A 15 5.780 -5.632 -13.340 1.00 0.00 N ATOM 230 CA HIS A 15 4.924 -4.511 -13.698 1.00 0.00 C ATOM 231 C HIS A 15 5.733 -3.302 -14.155 1.00 0.00 C ATOM 232 O HIS A 15 5.160 -2.304 -14.593 1.00 0.00 O ATOM 233 CB HIS A 15 4.046 -4.122 -12.508 1.00 0.00 C ATOM 234 CG HIS A 15 2.763 -4.891 -12.429 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.106 -5.134 -11.242 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.012 -5.469 -13.397 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.008 -5.829 -11.482 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.928 -6.045 -12.782 1.00 0.00 N ATOM 0 H HIS A 15 5.890 -5.775 -12.336 1.00 0.00 H new ATOM 0 HA HIS A 15 4.298 -4.829 -14.531 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.609 -4.276 -11.587 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.818 -3.058 -12.568 1.00 0.00 H new ATOM 0 HD2 HIS A 15 2.226 -5.476 -14.456 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.297 -6.163 -10.741 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.182 -6.557 -13.253 1.00 0.00 H new ATOM 247 N GLY A 16 7.061 -3.398 -14.108 1.00 0.00 N ATOM 248 CA GLY A 16 7.896 -2.310 -14.580 1.00 0.00 C ATOM 249 C GLY A 16 7.970 -1.099 -13.668 1.00 0.00 C ATOM 250 O GLY A 16 8.234 0.002 -14.151 1.00 0.00 O ATOM 0 H GLY A 16 7.570 -4.207 -13.753 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.906 -2.690 -14.732 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.526 -1.988 -15.553 1.00 0.00 H new ATOM 254 N LEU A 17 7.747 -1.257 -12.362 1.00 0.00 N ATOM 255 CA LEU A 17 7.817 -0.099 -11.478 1.00 0.00 C ATOM 256 C LEU A 17 9.234 0.110 -10.985 1.00 0.00 C ATOM 257 O LEU A 17 9.522 1.046 -10.240 1.00 0.00 O ATOM 258 CB LEU A 17 6.858 -0.240 -10.293 1.00 0.00 C ATOM 259 CG LEU A 17 5.486 -0.845 -10.606 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.423 -0.221 -9.716 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.104 -0.656 -12.070 1.00 0.00 C ATOM 0 H LEU A 17 7.524 -2.143 -11.908 1.00 0.00 H new ATOM 0 HA LEU A 17 7.512 0.775 -12.054 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.339 -0.856 -9.533 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.706 0.746 -9.855 1.00 0.00 H new ATOM 0 HG LEU A 17 5.548 -1.915 -10.410 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.452 -0.659 -9.947 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.667 -0.411 -8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.387 0.854 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.125 -1.099 -12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.069 0.408 -12.302 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.845 -1.142 -12.705 1.00 0.00 H new ATOM 273 N ASP A 18 10.114 -0.771 -11.417 1.00 0.00 N ATOM 274 CA ASP A 18 11.518 -0.702 -11.034 1.00 0.00 C ATOM 275 C ASP A 18 12.216 0.454 -11.747 1.00 0.00 C ATOM 276 O ASP A 18 12.728 0.306 -12.859 1.00 0.00 O ATOM 277 CB ASP A 18 12.219 -2.033 -11.323 1.00 0.00 C ATOM 278 CG ASP A 18 13.697 -1.873 -11.623 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.443 -1.440 -10.719 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.109 -2.180 -12.762 1.00 0.00 O ATOM 0 H ASP A 18 9.884 -1.548 -12.036 1.00 0.00 H new ATOM 0 HA ASP A 18 11.575 -0.516 -9.962 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.098 -2.695 -10.465 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.733 -2.517 -12.170 1.00 0.00 H new ATOM 285 N ASN A 19 12.220 1.605 -11.086 1.00 0.00 N ATOM 286 CA ASN A 19 12.842 2.815 -11.612 1.00 0.00 C ATOM 287 C ASN A 19 12.143 3.298 -12.864 1.00 0.00 C ATOM 288 O ASN A 19 12.772 3.842 -13.773 1.00 0.00 O ATOM 289 CB ASN A 19 14.330 2.589 -11.885 1.00 0.00 C ATOM 290 CG ASN A 19 15.169 3.813 -11.575 1.00 0.00 C ATOM 291 OD1 ASN A 19 14.853 4.921 -12.009 1.00 0.00 O ATOM 292 ND2 ASN A 19 16.245 3.619 -10.822 1.00 0.00 N ATOM 0 H ASN A 19 11.791 1.727 -10.168 1.00 0.00 H new ATOM 0 HA ASN A 19 12.743 3.590 -10.852 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.683 1.749 -11.286 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.467 2.314 -12.931 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.848 4.406 -10.582 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.469 2.683 -10.484 1.00 0.00 H new ATOM 299 N TYR A 20 10.832 3.131 -12.890 1.00 0.00 N ATOM 300 CA TYR A 20 10.046 3.591 -14.017 1.00 0.00 C ATOM 301 C TYR A 20 10.120 5.102 -14.030 1.00 0.00 C ATOM 302 O TYR A 20 10.655 5.680 -13.086 1.00 0.00 O ATOM 303 CB TYR A 20 8.594 3.121 -13.890 1.00 0.00 C ATOM 304 CG TYR A 20 7.748 3.399 -15.113 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.961 2.712 -16.300 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.736 4.350 -15.076 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.190 2.966 -17.419 1.00 0.00 C ATOM 308 CE2 TYR A 20 5.959 4.609 -16.190 1.00 0.00 C ATOM 309 CZ TYR A 20 6.190 3.914 -17.359 1.00 0.00 C ATOM 310 OH TYR A 20 5.420 4.169 -18.469 1.00 0.00 O ATOM 0 H TYR A 20 10.294 2.683 -12.148 1.00 0.00 H new ATOM 0 HA TYR A 20 10.436 3.182 -14.949 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.586 2.049 -13.691 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.139 3.609 -13.028 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.741 1.967 -16.350 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.553 4.896 -14.162 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.370 2.425 -18.336 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.176 5.351 -16.145 1.00 0.00 H new ATOM 0 HH TYR A 20 4.761 4.863 -18.258 1.00 0.00 H new ATOM 320 N ARG A 21 9.620 5.738 -15.090 1.00 0.00 N ATOM 321 CA ARG A 21 9.657 7.194 -15.192 1.00 0.00 C ATOM 322 C ARG A 21 9.711 7.815 -13.799 1.00 0.00 C ATOM 323 O ARG A 21 10.434 8.781 -13.558 1.00 0.00 O ATOM 324 CB ARG A 21 8.431 7.709 -15.949 1.00 0.00 C ATOM 325 CG ARG A 21 8.773 8.420 -17.248 1.00 0.00 C ATOM 326 CD ARG A 21 9.169 9.867 -17.003 1.00 0.00 C ATOM 327 NE ARG A 21 8.147 10.597 -16.258 1.00 0.00 N ATOM 328 CZ ARG A 21 7.718 11.811 -16.589 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.220 12.429 -17.649 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.787 12.408 -15.859 1.00 0.00 N ATOM 0 H ARG A 21 9.187 5.269 -15.886 1.00 0.00 H new ATOM 0 HA ARG A 21 10.552 7.481 -15.744 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.770 6.870 -16.167 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.877 8.392 -15.305 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.590 7.897 -17.746 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.915 8.385 -17.920 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.109 9.897 -16.452 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.343 10.362 -17.959 1.00 0.00 H new ATOM 0 HE ARG A 21 7.739 10.150 -15.437 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.937 11.973 -18.213 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.889 13.360 -17.901 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.399 11.936 -15.042 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.459 13.339 -16.114 1.00 0.00 H new ATOM 344 N GLY A 22 8.938 7.228 -12.889 1.00 0.00 N ATOM 345 CA GLY A 22 8.893 7.696 -11.522 1.00 0.00 C ATOM 346 C GLY A 22 10.076 7.221 -10.700 1.00 0.00 C ATOM 347 O GLY A 22 11.170 7.776 -10.803 1.00 0.00 O ATOM 0 H GLY A 22 8.337 6.427 -13.082 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.866 8.786 -11.516 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.970 7.352 -11.055 1.00 0.00 H new ATOM 351 N TYR A 23 9.852 6.214 -9.853 1.00 0.00 N ATOM 352 CA TYR A 23 10.923 5.717 -8.991 1.00 0.00 C ATOM 353 C TYR A 23 11.125 4.207 -9.062 1.00 0.00 C ATOM 354 O TYR A 23 10.456 3.502 -9.817 1.00 0.00 O ATOM 355 CB TYR A 23 10.663 6.136 -7.545 1.00 0.00 C ATOM 356 CG TYR A 23 11.065 7.564 -7.248 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.381 8.629 -7.820 1.00 0.00 C ATOM 358 CD2 TYR A 23 12.128 7.846 -6.401 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.744 9.935 -7.556 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.497 9.150 -6.130 1.00 0.00 C ATOM 361 CZ TYR A 23 11.802 10.191 -6.710 1.00 0.00 C ATOM 362 OH TYR A 23 12.168 11.490 -6.443 1.00 0.00 O ATOM 0 H TYR A 23 8.957 5.736 -9.747 1.00 0.00 H new ATOM 0 HA TYR A 23 11.844 6.166 -9.362 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.603 6.012 -7.324 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.208 5.468 -6.878 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.551 8.432 -8.483 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.675 7.033 -5.947 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.202 10.751 -8.010 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.325 9.353 -5.467 1.00 0.00 H new ATOM 0 HH TYR A 23 12.931 11.495 -5.828 1.00 0.00 H new ATOM 372 N SER A 24 12.090 3.738 -8.265 1.00 0.00 N ATOM 373 CA SER A 24 12.452 2.329 -8.207 1.00 0.00 C ATOM 374 C SER A 24 11.489 1.523 -7.347 1.00 0.00 C ATOM 375 O SER A 24 10.744 2.073 -6.536 1.00 0.00 O ATOM 376 CB SER A 24 13.875 2.173 -7.671 1.00 0.00 C ATOM 377 OG SER A 24 13.934 2.463 -6.285 1.00 0.00 O ATOM 0 H SER A 24 12.640 4.330 -7.643 1.00 0.00 H new ATOM 0 HA SER A 24 12.394 1.939 -9.223 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.224 1.156 -7.848 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.546 2.839 -8.214 1.00 0.00 H new ATOM 0 HG SER A 24 13.308 3.188 -6.075 1.00 0.00 H new ATOM 383 N LEU A 25 11.521 0.211 -7.550 1.00 0.00 N ATOM 384 CA LEU A 25 10.666 -0.722 -6.822 1.00 0.00 C ATOM 385 C LEU A 25 10.592 -0.378 -5.335 1.00 0.00 C ATOM 386 O LEU A 25 9.504 -0.238 -4.782 1.00 0.00 O ATOM 387 CB LEU A 25 11.180 -2.153 -7.005 1.00 0.00 C ATOM 388 CG LEU A 25 10.897 -2.792 -8.367 1.00 0.00 C ATOM 389 CD1 LEU A 25 10.991 -4.306 -8.274 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.531 -2.374 -8.889 1.00 0.00 C ATOM 0 H LEU A 25 12.141 -0.237 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 25 9.659 -0.641 -7.232 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.257 -2.156 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.737 -2.780 -6.231 1.00 0.00 H new ATOM 0 HG LEU A 25 11.651 -2.440 -9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.787 -4.744 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.993 -4.589 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.261 -4.672 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.353 -2.841 -9.858 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.760 -2.691 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.499 -1.290 -8.997 1.00 0.00 H new ATOM 402 N GLY A 26 11.753 -0.263 -4.692 1.00 0.00 N ATOM 403 CA GLY A 26 11.799 0.046 -3.269 1.00 0.00 C ATOM 404 C GLY A 26 10.833 1.143 -2.857 1.00 0.00 C ATOM 405 O GLY A 26 10.239 1.080 -1.781 1.00 0.00 O ATOM 0 H GLY A 26 12.666 -0.379 -5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.575 -0.857 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.812 0.346 -3.003 1.00 0.00 H new ATOM 409 N ASN A 27 10.676 2.151 -3.709 1.00 0.00 N ATOM 410 CA ASN A 27 9.773 3.262 -3.418 1.00 0.00 C ATOM 411 C ASN A 27 8.318 2.803 -3.460 1.00 0.00 C ATOM 412 O ASN A 27 7.483 3.272 -2.687 1.00 0.00 O ATOM 413 CB ASN A 27 9.996 4.400 -4.413 1.00 0.00 C ATOM 414 CG ASN A 27 11.464 4.740 -4.579 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.116 4.284 -5.517 1.00 0.00 O ATOM 416 ND2 ASN A 27 11.992 5.542 -3.662 1.00 0.00 N ATOM 0 H ASN A 27 11.160 2.223 -4.604 1.00 0.00 H new ATOM 0 HA ASN A 27 9.990 3.624 -2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.578 4.121 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.456 5.285 -4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.976 5.803 -3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.413 5.897 -2.901 1.00 0.00 H new ATOM 423 N TRP A 28 8.031 1.875 -4.364 1.00 0.00 N ATOM 424 CA TRP A 28 6.689 1.328 -4.518 1.00 0.00 C ATOM 425 C TRP A 28 6.321 0.436 -3.345 1.00 0.00 C ATOM 426 O TRP A 28 5.211 0.514 -2.820 1.00 0.00 O ATOM 427 CB TRP A 28 6.599 0.542 -5.815 1.00 0.00 C ATOM 428 CG TRP A 28 6.837 1.398 -7.008 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.013 1.565 -7.665 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.877 2.220 -7.674 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.853 2.449 -8.699 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.546 2.863 -8.730 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.516 2.471 -7.477 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.902 3.746 -9.591 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.871 3.344 -8.328 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.563 3.975 -9.377 1.00 0.00 C ATOM 0 H TRP A 28 8.718 1.482 -5.008 1.00 0.00 H new ATOM 0 HA TRP A 28 5.984 2.159 -4.546 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.329 -0.267 -5.799 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.614 0.081 -5.891 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.940 1.073 -7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.586 2.750 -9.341 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.979 1.990 -6.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.433 4.233 -10.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.819 3.546 -8.187 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.032 4.654 -10.028 1.00 0.00 H new ATOM 447 N VAL A 29 7.255 -0.414 -2.935 1.00 0.00 N ATOM 448 CA VAL A 29 7.024 -1.320 -1.823 1.00 0.00 C ATOM 449 C VAL A 29 6.879 -0.554 -0.521 1.00 0.00 C ATOM 450 O VAL A 29 5.942 -0.775 0.239 1.00 0.00 O ATOM 451 CB VAL A 29 8.179 -2.332 -1.692 1.00 0.00 C ATOM 452 CG1 VAL A 29 7.970 -3.248 -0.495 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.327 -3.134 -2.977 1.00 0.00 C ATOM 0 H VAL A 29 8.180 -0.493 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 29 6.098 -1.858 -2.025 1.00 0.00 H new ATOM 0 HB VAL A 29 9.103 -1.779 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.799 -3.952 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.924 -2.651 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.037 -3.798 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.146 -3.845 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.402 -3.674 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.539 -2.458 -3.805 1.00 0.00 H new ATOM 463 N CYS A 30 7.818 0.342 -0.270 1.00 0.00 N ATOM 464 CA CYS A 30 7.804 1.144 0.941 1.00 0.00 C ATOM 465 C CYS A 30 6.514 1.959 1.047 1.00 0.00 C ATOM 466 O CYS A 30 5.865 1.980 2.097 1.00 0.00 O ATOM 467 CB CYS A 30 9.015 2.072 0.947 1.00 0.00 C ATOM 468 SG CYS A 30 9.381 2.817 2.564 1.00 0.00 S ATOM 0 H CYS A 30 8.603 0.533 -0.892 1.00 0.00 H new ATOM 0 HA CYS A 30 7.849 0.477 1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.888 1.512 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.850 2.869 0.222 1.00 0.00 H new ATOM 473 N ALA A 31 6.151 2.631 -0.044 1.00 0.00 N ATOM 474 CA ALA A 31 4.946 3.450 -0.073 1.00 0.00 C ATOM 475 C ALA A 31 3.690 2.611 0.134 1.00 0.00 C ATOM 476 O ALA A 31 2.810 2.982 0.909 1.00 0.00 O ATOM 477 CB ALA A 31 4.859 4.211 -1.388 1.00 0.00 C ATOM 0 H ALA A 31 6.676 2.623 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 31 5.009 4.162 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.954 4.819 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.731 4.856 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.829 3.503 -2.217 1.00 0.00 H new ATOM 483 N ALA A 32 3.613 1.484 -0.565 1.00 0.00 N ATOM 484 CA ALA A 32 2.459 0.597 -0.462 1.00 0.00 C ATOM 485 C ALA A 32 2.383 -0.071 0.906 1.00 0.00 C ATOM 486 O ALA A 32 1.326 -0.097 1.534 1.00 0.00 O ATOM 487 CB ALA A 32 2.505 -0.454 -1.560 1.00 0.00 C ATOM 0 H ALA A 32 4.336 1.163 -1.209 1.00 0.00 H new ATOM 0 HA ALA A 32 1.562 1.204 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.639 -1.110 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.492 0.036 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.417 -1.043 -1.462 1.00 0.00 H new ATOM 493 N LYS A 33 3.508 -0.622 1.355 1.00 0.00 N ATOM 494 CA LYS A 33 3.580 -1.307 2.640 1.00 0.00 C ATOM 495 C LYS A 33 2.926 -0.496 3.745 1.00 0.00 C ATOM 496 O LYS A 33 2.027 -0.976 4.429 1.00 0.00 O ATOM 497 CB LYS A 33 5.039 -1.582 3.010 1.00 0.00 C ATOM 498 CG LYS A 33 5.207 -2.310 4.334 1.00 0.00 C ATOM 499 CD LYS A 33 5.977 -1.469 5.338 1.00 0.00 C ATOM 500 CE LYS A 33 6.604 -2.331 6.422 1.00 0.00 C ATOM 501 NZ LYS A 33 5.851 -2.248 7.704 1.00 0.00 N ATOM 0 H LYS A 33 4.389 -0.606 0.841 1.00 0.00 H new ATOM 0 HA LYS A 33 3.039 -2.248 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.500 -2.174 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.578 -0.636 3.055 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.227 -2.558 4.741 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.731 -3.252 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.756 -0.907 4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.307 -0.740 5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.637 -3.368 6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.635 -2.016 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.311 -2.850 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.841 -1.263 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.874 -2.573 7.555 1.00 0.00 H new ATOM 515 N PHE A 34 3.396 0.725 3.935 1.00 0.00 N ATOM 516 CA PHE A 34 2.856 1.575 4.983 1.00 0.00 C ATOM 517 C PHE A 34 1.500 2.150 4.614 1.00 0.00 C ATOM 518 O PHE A 34 0.746 2.584 5.484 1.00 0.00 O ATOM 519 CB PHE A 34 3.830 2.684 5.326 1.00 0.00 C ATOM 520 CG PHE A 34 4.782 2.329 6.432 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.337 2.220 7.739 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.123 2.105 6.163 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.212 1.894 8.758 1.00 0.00 C ATOM 524 CE2 PHE A 34 7.002 1.779 7.179 1.00 0.00 C ATOM 525 CZ PHE A 34 6.546 1.673 8.478 1.00 0.00 C ATOM 0 H PHE A 34 4.143 1.147 3.384 1.00 0.00 H new ATOM 0 HA PHE A 34 2.711 0.948 5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.402 2.942 4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.269 3.573 5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.295 2.392 7.964 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.485 2.186 5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.852 1.812 9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.045 1.607 6.957 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.231 1.418 9.273 1.00 0.00 H new ATOM 535 N GLU A 35 1.192 2.162 3.327 1.00 0.00 N ATOM 536 CA GLU A 35 -0.074 2.695 2.853 1.00 0.00 C ATOM 537 C GLU A 35 -1.257 1.839 3.290 1.00 0.00 C ATOM 538 O GLU A 35 -2.217 2.339 3.878 1.00 0.00 O ATOM 539 CB GLU A 35 -0.048 2.768 1.328 1.00 0.00 C ATOM 540 CG GLU A 35 -0.280 4.163 0.779 1.00 0.00 C ATOM 541 CD GLU A 35 -0.093 4.228 -0.722 1.00 0.00 C ATOM 542 OE1 GLU A 35 1.066 4.357 -1.170 1.00 0.00 O ATOM 543 OE2 GLU A 35 -1.104 4.148 -1.449 1.00 0.00 O ATOM 0 H GLU A 35 1.803 1.808 2.591 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.200 3.687 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.915 2.403 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.810 2.099 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.290 4.487 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.408 4.859 1.259 1.00 0.00 H new ATOM 550 N SER A 36 -1.203 0.559 2.947 1.00 0.00 N ATOM 551 CA SER A 36 -2.297 -0.360 3.250 1.00 0.00 C ATOM 552 C SER A 36 -1.806 -1.660 3.875 1.00 0.00 C ATOM 553 O SER A 36 -2.562 -2.626 3.973 1.00 0.00 O ATOM 554 CB SER A 36 -3.052 -0.679 1.955 1.00 0.00 C ATOM 555 OG SER A 36 -2.148 -0.969 0.906 1.00 0.00 O ATOM 0 H SER A 36 -0.415 0.132 2.459 1.00 0.00 H new ATOM 0 HA SER A 36 -2.950 0.127 3.974 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.715 -1.529 2.115 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.680 0.167 1.677 1.00 0.00 H new ATOM 0 HG SER A 36 -1.963 -0.151 0.398 1.00 0.00 H new ATOM 561 N ASN A 37 -0.543 -1.693 4.275 1.00 0.00 N ATOM 562 CA ASN A 37 0.027 -2.900 4.863 1.00 0.00 C ATOM 563 C ASN A 37 -0.075 -4.044 3.862 1.00 0.00 C ATOM 564 O ASN A 37 -0.157 -5.207 4.239 1.00 0.00 O ATOM 565 CB ASN A 37 -0.695 -3.263 6.162 1.00 0.00 C ATOM 566 CG ASN A 37 0.263 -3.477 7.316 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.770 -2.520 7.902 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.519 -4.736 7.650 1.00 0.00 N ATOM 0 H ASN A 37 0.103 -0.907 4.205 1.00 0.00 H new ATOM 0 HA ASN A 37 1.075 -2.719 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.397 -2.469 6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.281 -4.169 6.008 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.157 -4.940 8.419 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.077 -5.499 7.138 1.00 0.00 H new ATOM 575 N PHE A 38 -0.054 -3.674 2.582 1.00 0.00 N ATOM 576 CA PHE A 38 -0.130 -4.603 1.463 1.00 0.00 C ATOM 577 C PHE A 38 -1.522 -5.203 1.324 1.00 0.00 C ATOM 578 O PHE A 38 -1.691 -6.264 0.732 1.00 0.00 O ATOM 579 CB PHE A 38 0.939 -5.692 1.581 1.00 0.00 C ATOM 580 CG PHE A 38 2.331 -5.165 1.374 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.637 -4.413 0.251 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.328 -5.410 2.303 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.909 -3.918 0.056 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.604 -4.916 2.113 1.00 0.00 C ATOM 585 CZ PHE A 38 4.896 -4.169 0.988 1.00 0.00 C ATOM 0 H PHE A 38 0.018 -2.699 2.292 1.00 0.00 H new ATOM 0 HA PHE A 38 0.068 -4.038 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.873 -6.155 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.738 -6.473 0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.869 -4.212 -0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.106 -5.993 3.185 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.133 -3.335 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.374 -5.114 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.893 -3.783 0.838 1.00 0.00 H new ATOM 595 N ASN A 39 -2.526 -4.506 1.845 1.00 0.00 N ATOM 596 CA ASN A 39 -3.900 -4.979 1.747 1.00 0.00 C ATOM 597 C ASN A 39 -4.467 -4.671 0.367 1.00 0.00 C ATOM 598 O ASN A 39 -4.715 -3.514 0.028 1.00 0.00 O ATOM 599 CB ASN A 39 -4.768 -4.340 2.834 1.00 0.00 C ATOM 600 CG ASN A 39 -6.124 -5.007 2.964 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.192 -6.290 2.625 1.00 0.00 O flip ATOM 602 ND2 ASN A 39 -7.101 -4.377 3.368 1.00 0.00 N flip ATOM 0 H ASN A 39 -2.415 -3.619 2.336 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.905 -6.059 1.894 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.247 -4.396 3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.907 -3.283 2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.005 -3.393 3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.006 -4.839 3.453 1.00 0.00 H new ATOM 609 N THR A 40 -4.645 -5.715 -0.431 1.00 0.00 N ATOM 610 CA THR A 40 -5.158 -5.567 -1.785 1.00 0.00 C ATOM 611 C THR A 40 -6.616 -5.168 -1.735 1.00 0.00 C ATOM 612 O THR A 40 -7.121 -4.451 -2.599 1.00 0.00 O ATOM 613 CB THR A 40 -5.018 -6.883 -2.575 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.208 -7.667 -2.438 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.827 -7.687 -2.079 1.00 0.00 C ATOM 0 H THR A 40 -4.441 -6.677 -0.162 1.00 0.00 H new ATOM 0 HA THR A 40 -4.577 -4.795 -2.288 1.00 0.00 H new ATOM 0 HB THR A 40 -4.862 -6.633 -3.624 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.145 -8.219 -1.631 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.748 -8.611 -2.651 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.915 -7.103 -2.206 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.962 -7.924 -1.024 1.00 0.00 H new ATOM 623 N GLN A 41 -7.277 -5.648 -0.699 1.00 0.00 N ATOM 624 CA GLN A 41 -8.680 -5.376 -0.474 1.00 0.00 C ATOM 625 C GLN A 41 -8.864 -4.114 0.364 1.00 0.00 C ATOM 626 O GLN A 41 -9.970 -3.806 0.808 1.00 0.00 O ATOM 627 CB GLN A 41 -9.307 -6.572 0.230 1.00 0.00 C ATOM 628 CG GLN A 41 -9.906 -7.598 -0.717 1.00 0.00 C ATOM 629 CD GLN A 41 -11.420 -7.642 -0.649 1.00 0.00 C ATOM 630 OE1 GLN A 41 -12.042 -6.893 0.105 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.023 -8.522 -1.441 1.00 0.00 N ATOM 0 H GLN A 41 -6.851 -6.241 0.013 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.170 -5.212 -1.434 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.549 -7.058 0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.085 -6.217 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.599 -7.368 -1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.507 -8.584 -0.478 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.469 -9.123 -2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.040 -8.596 -1.440 1.00 0.00 H new ATOM 640 N ALA A 42 -7.767 -3.395 0.587 1.00 0.00 N ATOM 641 CA ALA A 42 -7.795 -2.175 1.385 1.00 0.00 C ATOM 642 C ALA A 42 -8.676 -1.098 0.762 1.00 0.00 C ATOM 643 O ALA A 42 -8.391 -0.594 -0.325 1.00 0.00 O ATOM 644 CB ALA A 42 -6.385 -1.641 1.583 1.00 0.00 C ATOM 0 H ALA A 42 -6.845 -3.638 0.224 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.227 -2.434 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.421 -0.730 2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.782 -2.389 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.940 -1.421 0.613 1.00 0.00 H new ATOM 650 N THR A 43 -9.733 -0.737 1.477 1.00 0.00 N ATOM 651 CA THR A 43 -10.661 0.299 1.040 1.00 0.00 C ATOM 652 C THR A 43 -10.979 1.209 2.225 1.00 0.00 C ATOM 653 O THR A 43 -11.467 0.738 3.253 1.00 0.00 O ATOM 654 CB THR A 43 -11.971 -0.306 0.500 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.744 -0.851 1.576 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.685 -1.395 -0.524 1.00 0.00 C ATOM 0 H THR A 43 -9.972 -1.154 2.377 1.00 0.00 H new ATOM 0 HA THR A 43 -10.192 0.863 0.234 1.00 0.00 H new ATOM 0 HB THR A 43 -12.535 0.490 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.346 -0.586 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.626 -1.806 -0.890 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.125 -0.972 -1.358 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.099 -2.188 -0.058 1.00 0.00 H new ATOM 664 N ASN A 44 -10.691 2.501 2.101 1.00 0.00 N ATOM 665 CA ASN A 44 -10.947 3.435 3.196 1.00 0.00 C ATOM 666 C ASN A 44 -11.534 4.747 2.692 1.00 0.00 C ATOM 667 O ASN A 44 -10.900 5.469 1.924 1.00 0.00 O ATOM 668 CB ASN A 44 -9.654 3.708 3.968 1.00 0.00 C ATOM 669 CG ASN A 44 -9.913 4.114 5.406 1.00 0.00 C ATOM 670 OD1 ASN A 44 -10.744 4.979 5.678 1.00 0.00 O ATOM 671 ND2 ASN A 44 -9.200 3.487 6.335 1.00 0.00 N ATOM 0 H ASN A 44 -10.285 2.923 1.265 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.678 2.973 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.030 2.815 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.094 4.497 3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.331 3.717 7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.521 2.776 6.063 1.00 0.00 H new ATOM 678 N ARG A 45 -12.748 5.051 3.142 1.00 0.00 N ATOM 679 CA ARG A 45 -13.428 6.279 2.745 1.00 0.00 C ATOM 680 C ARG A 45 -12.910 7.472 3.544 1.00 0.00 C ATOM 681 O ARG A 45 -12.501 7.330 4.696 1.00 0.00 O ATOM 682 CB ARG A 45 -14.938 6.136 2.939 1.00 0.00 C ATOM 683 CG ARG A 45 -15.751 7.148 2.150 1.00 0.00 C ATOM 684 CD ARG A 45 -17.238 7.017 2.439 1.00 0.00 C ATOM 685 NE ARG A 45 -17.993 6.617 1.255 1.00 0.00 N ATOM 686 CZ ARG A 45 -18.495 7.477 0.374 1.00 0.00 C ATOM 687 NH1 ARG A 45 -18.323 8.782 0.544 1.00 0.00 N ATOM 688 NH2 ARG A 45 -19.170 7.034 -0.677 1.00 0.00 N ATOM 0 H ARG A 45 -13.281 4.463 3.782 1.00 0.00 H new ATOM 0 HA ARG A 45 -13.220 6.455 1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.240 5.131 2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.171 6.242 3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -15.419 8.156 2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.573 7.007 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.390 6.283 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -17.621 7.968 2.808 1.00 0.00 H new ATOM 0 HE ARG A 45 -18.144 5.621 1.095 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.805 9.127 1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -18.709 9.440 -0.133 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.305 6.032 -0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -19.554 7.695 -1.352 1.00 0.00 H new ATOM 702 N ASN A 46 -12.931 8.645 2.922 1.00 0.00 N ATOM 703 CA ASN A 46 -12.466 9.865 3.569 1.00 0.00 C ATOM 704 C ASN A 46 -13.624 10.817 3.842 1.00 0.00 C ATOM 705 O ASN A 46 -14.771 10.537 3.489 1.00 0.00 O ATOM 706 CB ASN A 46 -11.416 10.561 2.702 1.00 0.00 C ATOM 707 CG ASN A 46 -10.449 9.582 2.066 1.00 0.00 C ATOM 708 OD1 ASN A 46 -10.360 9.486 0.843 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.718 8.849 2.897 1.00 0.00 N ATOM 0 H ASN A 46 -13.266 8.777 1.968 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.016 9.587 4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.916 11.133 1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.859 11.273 3.312 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.050 8.173 2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.825 8.962 3.905 1.00 0.00 H new ATOM 716 N THR A 47 -13.313 11.940 4.475 1.00 0.00 N ATOM 717 CA THR A 47 -14.321 12.941 4.803 1.00 0.00 C ATOM 718 C THR A 47 -14.569 13.883 3.629 1.00 0.00 C ATOM 719 O THR A 47 -15.661 14.431 3.482 1.00 0.00 O ATOM 720 CB THR A 47 -13.909 13.772 6.033 1.00 0.00 C ATOM 721 OG1 THR A 47 -12.628 14.375 5.811 1.00 0.00 O ATOM 722 CG2 THR A 47 -13.854 12.902 7.279 1.00 0.00 C ATOM 0 H THR A 47 -12.368 12.182 4.773 1.00 0.00 H new ATOM 0 HA THR A 47 -15.239 12.399 5.029 1.00 0.00 H new ATOM 0 HB THR A 47 -14.656 14.551 6.184 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.374 14.903 6.597 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.561 13.510 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.836 12.467 7.462 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.125 12.105 7.134 1.00 0.00 H new ATOM 730 N ASP A 48 -13.549 14.067 2.796 1.00 0.00 N ATOM 731 CA ASP A 48 -13.660 14.945 1.636 1.00 0.00 C ATOM 732 C ASP A 48 -14.576 14.337 0.577 1.00 0.00 C ATOM 733 O ASP A 48 -15.015 15.023 -0.346 1.00 0.00 O ATOM 734 CB ASP A 48 -12.279 15.218 1.039 1.00 0.00 C ATOM 735 CG ASP A 48 -11.484 13.948 0.806 1.00 0.00 C ATOM 736 OD1 ASP A 48 -12.082 12.854 0.867 1.00 0.00 O ATOM 737 OD2 ASP A 48 -10.263 14.050 0.563 1.00 0.00 O ATOM 0 H ASP A 48 -12.638 13.621 2.902 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.095 15.888 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.394 15.749 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.721 15.874 1.707 1.00 0.00 H new ATOM 742 N GLY A 49 -14.869 13.048 0.723 1.00 0.00 N ATOM 743 CA GLY A 49 -15.739 12.372 -0.222 1.00 0.00 C ATOM 744 C GLY A 49 -15.026 11.297 -1.021 1.00 0.00 C ATOM 745 O GLY A 49 -15.658 10.359 -1.507 1.00 0.00 O ATOM 0 H GLY A 49 -14.519 12.460 1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.573 11.923 0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -16.162 13.106 -0.908 1.00 0.00 H new ATOM 749 N SER A 50 -13.710 11.429 -1.160 1.00 0.00 N ATOM 750 CA SER A 50 -12.925 10.454 -1.910 1.00 0.00 C ATOM 751 C SER A 50 -12.709 9.183 -1.096 1.00 0.00 C ATOM 752 O SER A 50 -13.220 9.051 0.016 1.00 0.00 O ATOM 753 CB SER A 50 -11.577 11.048 -2.324 1.00 0.00 C ATOM 754 OG SER A 50 -11.134 12.017 -1.390 1.00 0.00 O ATOM 0 H SER A 50 -13.167 12.197 -0.765 1.00 0.00 H new ATOM 0 HA SER A 50 -13.485 10.196 -2.809 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.836 10.253 -2.405 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.665 11.504 -3.310 1.00 0.00 H new ATOM 0 HG SER A 50 -11.491 11.804 -0.503 1.00 0.00 H new ATOM 760 N THR A 51 -11.950 8.251 -1.663 1.00 0.00 N ATOM 761 CA THR A 51 -11.662 6.984 -1.001 1.00 0.00 C ATOM 762 C THR A 51 -10.426 6.326 -1.605 1.00 0.00 C ATOM 763 O THR A 51 -10.103 6.553 -2.770 1.00 0.00 O ATOM 764 CB THR A 51 -12.857 6.016 -1.119 1.00 0.00 C ATOM 765 OG1 THR A 51 -14.052 6.649 -0.647 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.609 4.742 -0.328 1.00 0.00 C ATOM 0 H THR A 51 -11.522 8.350 -2.583 1.00 0.00 H new ATOM 0 HA THR A 51 -11.478 7.200 0.051 1.00 0.00 H new ATOM 0 HB THR A 51 -12.975 5.753 -2.170 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.816 7.407 -0.073 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.468 4.078 -0.429 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.718 4.244 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.463 4.989 0.724 1.00 0.00 H new ATOM 774 N ASP A 52 -9.742 5.500 -0.818 1.00 0.00 N ATOM 775 CA ASP A 52 -8.551 4.800 -1.286 1.00 0.00 C ATOM 776 C ASP A 52 -8.859 3.329 -1.485 1.00 0.00 C ATOM 777 O ASP A 52 -8.880 2.552 -0.530 1.00 0.00 O ATOM 778 CB ASP A 52 -7.407 4.968 -0.286 1.00 0.00 C ATOM 779 CG ASP A 52 -7.488 6.281 0.469 1.00 0.00 C ATOM 780 OD1 ASP A 52 -7.472 7.344 -0.187 1.00 0.00 O ATOM 781 OD2 ASP A 52 -7.566 6.246 1.715 1.00 0.00 O ATOM 0 H ASP A 52 -9.994 5.299 0.150 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.244 5.230 -2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.425 4.142 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.455 4.914 -0.814 1.00 0.00 H new ATOM 786 N TYR A 53 -9.116 2.953 -2.730 1.00 0.00 N ATOM 787 CA TYR A 53 -9.442 1.576 -3.044 1.00 0.00 C ATOM 788 C TYR A 53 -8.247 0.813 -3.605 1.00 0.00 C ATOM 789 O TYR A 53 -8.131 0.619 -4.812 1.00 0.00 O ATOM 790 CB TYR A 53 -10.601 1.501 -4.034 1.00 0.00 C ATOM 791 CG TYR A 53 -11.918 2.017 -3.499 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.624 1.307 -2.537 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.462 3.206 -3.967 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.835 1.767 -2.055 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.672 3.674 -3.490 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.354 2.951 -2.535 1.00 0.00 C ATOM 797 OH TYR A 53 -15.559 3.413 -2.058 1.00 0.00 O ATOM 0 H TYR A 53 -9.104 3.582 -3.533 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.734 1.106 -2.105 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.338 2.070 -4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.731 0.464 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.220 0.380 -2.159 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.931 3.774 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.372 1.202 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.081 4.601 -3.864 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.782 4.260 -2.498 1.00 0.00 H new ATOM 807 N GLY A 54 -7.363 0.384 -2.721 1.00 0.00 N ATOM 808 CA GLY A 54 -6.214 -0.379 -3.182 1.00 0.00 C ATOM 809 C GLY A 54 -5.003 -0.364 -2.279 1.00 0.00 C ATOM 810 O GLY A 54 -4.931 0.386 -1.305 1.00 0.00 O ATOM 0 H GLY A 54 -7.412 0.543 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.524 -1.414 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.918 0.002 -4.159 1.00 0.00 H new ATOM 814 N ILE A 55 -4.029 -1.194 -2.656 1.00 0.00 N ATOM 815 CA ILE A 55 -2.768 -1.298 -1.943 1.00 0.00 C ATOM 816 C ILE A 55 -1.947 -0.048 -2.217 1.00 0.00 C ATOM 817 O ILE A 55 -1.043 0.306 -1.460 1.00 0.00 O ATOM 818 CB ILE A 55 -1.964 -2.534 -2.402 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.742 -2.742 -1.506 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.539 -2.366 -3.855 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.111 -3.921 -1.917 1.00 0.00 C ATOM 0 H ILE A 55 -4.098 -1.811 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.979 -1.401 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.599 -3.416 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.132 -1.839 -1.521 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.075 -2.885 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.972 -3.242 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.424 -2.260 -4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.916 -1.477 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.960 -4.010 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.484 -4.833 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.473 -3.771 -2.934 1.00 0.00 H new ATOM 833 N LEU A 56 -2.307 0.630 -3.305 1.00 0.00 N ATOM 834 CA LEU A 56 -1.653 1.865 -3.700 1.00 0.00 C ATOM 835 C LEU A 56 -2.641 3.016 -3.558 1.00 0.00 C ATOM 836 O LEU A 56 -2.341 4.157 -3.908 1.00 0.00 O ATOM 837 CB LEU A 56 -1.134 1.784 -5.146 1.00 0.00 C ATOM 838 CG LEU A 56 0.383 1.980 -5.322 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.908 3.049 -4.374 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.114 0.666 -5.098 1.00 0.00 C ATOM 0 H LEU A 56 -3.057 0.337 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.793 2.032 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.406 0.812 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.651 2.537 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 56 0.567 2.314 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.982 3.168 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.407 3.995 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.711 2.750 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.186 0.819 -5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.917 0.307 -4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.765 -0.072 -5.820 1.00 0.00 H new ATOM 852 N GLN A 57 -3.827 2.696 -3.022 1.00 0.00 N ATOM 853 CA GLN A 57 -4.883 3.680 -2.799 1.00 0.00 C ATOM 854 C GLN A 57 -5.470 4.206 -4.106 1.00 0.00 C ATOM 855 O GLN A 57 -5.209 5.346 -4.487 1.00 0.00 O ATOM 856 CB GLN A 57 -4.352 4.847 -1.961 1.00 0.00 C ATOM 857 CG GLN A 57 -4.025 4.468 -0.526 1.00 0.00 C ATOM 858 CD GLN A 57 -3.807 5.678 0.363 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.984 5.649 1.278 1.00 0.00 O ATOM 860 NE2 GLN A 57 -4.546 6.749 0.100 1.00 0.00 N ATOM 0 H GLN A 57 -4.076 1.750 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.684 3.174 -2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.455 5.246 -2.436 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.093 5.647 -1.957 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.837 3.865 -0.120 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.129 3.847 -0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.217 6.730 -0.668 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.443 7.591 0.666 1.00 0.00 H new ATOM 869 N ILE A 58 -6.273 3.386 -4.796 1.00 0.00 N ATOM 870 CA ILE A 58 -6.874 3.821 -6.041 1.00 0.00 C ATOM 871 C ILE A 58 -8.101 4.660 -5.749 1.00 0.00 C ATOM 872 O ILE A 58 -9.172 4.129 -5.453 1.00 0.00 O ATOM 873 CB ILE A 58 -7.262 2.628 -6.935 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.157 1.565 -6.928 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.543 3.100 -8.354 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.768 2.123 -7.169 1.00 0.00 C ATOM 0 H ILE A 58 -6.512 2.436 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.135 4.415 -6.579 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.170 2.177 -6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.169 1.048 -5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.377 0.821 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.816 2.246 -8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.364 3.817 -8.343 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.651 3.575 -8.763 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.041 1.311 -7.149 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.737 2.614 -8.141 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.526 2.845 -6.390 1.00 0.00 H new ATOM 888 N ASN A 59 -7.946 5.975 -5.830 1.00 0.00 N ATOM 889 CA ASN A 59 -9.046 6.881 -5.569 1.00 0.00 C ATOM 890 C ASN A 59 -10.085 6.779 -6.670 1.00 0.00 C ATOM 891 O ASN A 59 -9.958 7.413 -7.717 1.00 0.00 O ATOM 892 CB ASN A 59 -8.530 8.316 -5.462 1.00 0.00 C ATOM 893 CG ASN A 59 -9.614 9.300 -5.069 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.762 8.920 -4.840 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.252 10.576 -4.985 1.00 0.00 N ATOM 0 H ASN A 59 -7.068 6.433 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.512 6.603 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.726 8.355 -4.727 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.102 8.616 -6.419 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.937 11.284 -4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.289 10.847 -5.184 1.00 0.00 H new ATOM 902 N SER A 60 -11.116 5.981 -6.430 1.00 0.00 N ATOM 903 CA SER A 60 -12.183 5.801 -7.409 1.00 0.00 C ATOM 904 C SER A 60 -12.953 7.102 -7.637 1.00 0.00 C ATOM 905 O SER A 60 -13.738 7.208 -8.578 1.00 0.00 O ATOM 906 CB SER A 60 -13.145 4.704 -6.951 1.00 0.00 C ATOM 907 OG SER A 60 -14.156 5.232 -6.111 1.00 0.00 O ATOM 0 H SER A 60 -11.238 5.448 -5.569 1.00 0.00 H new ATOM 0 HA SER A 60 -11.722 5.506 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.601 4.229 -7.820 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.592 3.930 -6.418 1.00 0.00 H new ATOM 0 HG SER A 60 -13.746 5.786 -5.415 1.00 0.00 H new ATOM 913 N ARG A 61 -12.726 8.091 -6.778 1.00 0.00 N ATOM 914 CA ARG A 61 -13.401 9.380 -6.904 1.00 0.00 C ATOM 915 C ARG A 61 -12.485 10.389 -7.588 1.00 0.00 C ATOM 916 O ARG A 61 -12.667 11.600 -7.466 1.00 0.00 O ATOM 917 CB ARG A 61 -13.819 9.899 -5.526 1.00 0.00 C ATOM 918 CG ARG A 61 -15.077 10.756 -5.552 1.00 0.00 C ATOM 919 CD ARG A 61 -14.749 12.237 -5.441 1.00 0.00 C ATOM 920 NE ARG A 61 -14.491 12.641 -4.062 1.00 0.00 N ATOM 921 CZ ARG A 61 -13.677 13.638 -3.727 1.00 0.00 C ATOM 922 NH1 ARG A 61 -13.041 14.324 -4.668 1.00 0.00 N ATOM 923 NH2 ARG A 61 -13.497 13.950 -2.451 1.00 0.00 N ATOM 0 H ARG A 61 -12.082 8.026 -5.989 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.295 9.246 -7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.982 9.050 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.001 10.482 -5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.624 10.572 -6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.733 10.466 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.876 12.461 -6.053 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.577 12.822 -5.841 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.961 12.131 -3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.176 14.087 -5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.417 15.088 -4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.983 13.425 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.872 14.715 -2.196 1.00 0.00 H new ATOM 937 N TRP A 62 -11.496 9.871 -8.309 1.00 0.00 N ATOM 938 CA TRP A 62 -10.541 10.722 -9.015 1.00 0.00 C ATOM 939 C TRP A 62 -9.794 9.977 -10.125 1.00 0.00 C ATOM 940 O TRP A 62 -9.135 10.606 -10.954 1.00 0.00 O ATOM 941 CB TRP A 62 -9.531 11.308 -8.026 1.00 0.00 C ATOM 942 CG TRP A 62 -9.588 12.802 -7.929 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.399 13.541 -7.115 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.799 13.741 -8.670 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.164 14.881 -7.307 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.187 15.030 -8.256 1.00 0.00 C ATOM 947 CE3 TRP A 62 -7.804 13.617 -9.643 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.612 16.184 -8.781 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -7.234 14.764 -10.163 1.00 0.00 C ATOM 950 CH2 TRP A 62 -7.640 16.033 -9.732 1.00 0.00 C ATOM 0 H TRP A 62 -11.334 8.870 -8.421 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.116 11.520 -9.486 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.710 10.881 -7.039 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.526 11.009 -8.325 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.119 13.132 -6.422 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.640 15.642 -6.822 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.486 12.642 -9.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.922 17.164 -8.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -6.463 14.680 -10.914 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -7.177 16.910 -10.159 1.00 0.00 H new ATOM 961 N TRP A 63 -9.872 8.647 -10.137 1.00 0.00 N ATOM 962 CA TRP A 63 -9.170 7.863 -11.147 1.00 0.00 C ATOM 963 C TRP A 63 -10.084 6.859 -11.835 1.00 0.00 C ATOM 964 O TRP A 63 -10.458 7.033 -12.994 1.00 0.00 O ATOM 965 CB TRP A 63 -7.987 7.129 -10.506 1.00 0.00 C ATOM 966 CG TRP A 63 -6.903 8.053 -10.046 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.297 8.088 -8.822 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.311 9.091 -10.818 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.351 9.088 -8.797 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.346 9.720 -10.015 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.509 9.542 -12.115 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.578 10.788 -10.479 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.760 10.594 -12.578 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.801 11.214 -11.764 1.00 0.00 C ATOM 0 H TRP A 63 -10.408 8.097 -9.466 1.00 0.00 H new ATOM 0 HA TRP A 63 -8.812 8.557 -11.908 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.345 6.547 -9.657 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.573 6.422 -11.225 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.526 7.429 -7.997 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.753 9.321 -8.004 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.243 9.071 -12.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.837 11.261 -9.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -5.911 10.951 -13.586 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.228 12.041 -12.156 1.00 0.00 H new ATOM 985 N CYS A 64 -10.411 5.791 -11.124 1.00 0.00 N ATOM 986 CA CYS A 64 -11.250 4.739 -11.681 1.00 0.00 C ATOM 987 C CYS A 64 -12.724 4.956 -11.385 1.00 0.00 C ATOM 988 O CYS A 64 -13.091 5.639 -10.431 1.00 0.00 O ATOM 989 CB CYS A 64 -10.813 3.370 -11.154 1.00 0.00 C ATOM 990 SG CYS A 64 -11.474 2.951 -9.505 1.00 0.00 S ATOM 0 H CYS A 64 -10.110 5.629 -10.163 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.122 4.773 -12.763 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.127 2.604 -11.863 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.724 3.340 -11.114 1.00 0.00 H new ATOM 995 N ASN A 65 -13.559 4.354 -12.222 1.00 0.00 N ATOM 996 CA ASN A 65 -15.006 4.456 -12.074 1.00 0.00 C ATOM 997 C ASN A 65 -15.554 3.267 -11.291 1.00 0.00 C ATOM 998 O ASN A 65 -15.657 2.159 -11.816 1.00 0.00 O ATOM 999 CB ASN A 65 -15.678 4.531 -13.446 1.00 0.00 C ATOM 1000 CG ASN A 65 -16.981 5.305 -13.412 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.031 6.478 -13.785 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.046 4.652 -12.961 1.00 0.00 N ATOM 0 H ASN A 65 -13.257 3.787 -13.014 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.227 5.369 -11.521 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.997 5.002 -14.155 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.868 3.521 -13.810 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.950 5.122 -12.914 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.960 3.681 -12.662 1.00 0.00 H new ATOM 1009 N ASP A 66 -15.898 3.505 -10.029 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.431 2.454 -9.170 1.00 0.00 C ATOM 1011 C ASP A 66 -17.957 2.460 -9.174 1.00 0.00 C ATOM 1012 O ASP A 66 -18.590 1.442 -8.893 1.00 0.00 O ATOM 1013 CB ASP A 66 -15.911 2.621 -7.743 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.549 3.795 -7.027 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.670 4.874 -7.645 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -16.927 3.637 -5.847 1.00 0.00 O ATOM 0 H ASP A 66 -15.817 4.417 -9.579 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.093 1.495 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.104 1.708 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.830 2.758 -7.767 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.541 3.609 -9.498 1.00 0.00 N ATOM 1022 CA GLY A 67 -19.988 3.722 -9.536 1.00 0.00 C ATOM 1023 C GLY A 67 -20.608 3.818 -8.154 1.00 0.00 C ATOM 1024 O GLY A 67 -21.756 4.240 -8.013 1.00 0.00 O ATOM 0 H GLY A 67 -18.038 4.464 -9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.264 4.604 -10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.402 2.858 -10.055 1.00 0.00 H new ATOM 1028 N ARG A 68 -19.852 3.425 -7.133 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.340 3.470 -5.759 1.00 0.00 C ATOM 1030 C ARG A 68 -20.084 4.836 -5.132 1.00 0.00 C ATOM 1031 O ARG A 68 -20.533 5.113 -4.021 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.670 2.378 -4.922 1.00 0.00 C ATOM 1033 CG ARG A 68 -19.884 0.975 -5.468 1.00 0.00 C ATOM 1034 CD ARG A 68 -19.955 -0.052 -4.349 1.00 0.00 C ATOM 1035 NE ARG A 68 -18.681 -0.186 -3.649 1.00 0.00 N ATOM 1036 CZ ARG A 68 -18.463 -1.068 -2.677 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -19.431 -1.890 -2.292 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -17.276 -1.128 -2.089 1.00 0.00 N ATOM 0 H ARG A 68 -18.900 3.072 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.416 3.297 -5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.600 2.578 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.055 2.425 -3.903 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.806 0.946 -6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.071 0.719 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.730 0.238 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.246 -1.018 -4.761 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.915 0.431 -3.920 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.346 -1.847 -2.742 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -19.260 -2.565 -1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.529 -0.498 -2.382 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.110 -1.804 -1.344 1.00 0.00 H new ATOM 1052 N THR A 69 -19.360 5.685 -5.854 1.00 0.00 N ATOM 1053 CA THR A 69 -19.044 7.023 -5.369 1.00 0.00 C ATOM 1054 C THR A 69 -19.436 8.086 -6.394 1.00 0.00 C ATOM 1055 O THR A 69 -18.710 8.324 -7.361 1.00 0.00 O ATOM 1056 CB THR A 69 -17.545 7.167 -5.047 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.063 5.973 -4.416 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.299 8.361 -4.137 1.00 0.00 C ATOM 0 H THR A 69 -18.981 5.470 -6.776 1.00 0.00 H new ATOM 0 HA THR A 69 -19.619 7.171 -4.455 1.00 0.00 H new ATOM 0 HB THR A 69 -17.009 7.326 -5.982 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.049 5.241 -5.068 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.233 8.442 -3.923 1.00 0.00 H new ATOM 0 HG22 THR A 69 -17.641 9.271 -4.630 1.00 0.00 H new ATOM 0 HG23 THR A 69 -17.847 8.226 -3.204 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.593 8.741 -6.197 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.077 9.782 -7.112 1.00 0.00 C ATOM 1068 C PRO A 70 -20.185 11.019 -7.101 1.00 0.00 C ATOM 1069 O PRO A 70 -20.259 11.842 -6.188 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.469 10.120 -6.570 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.432 9.715 -5.138 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.520 8.522 -5.071 1.00 0.00 C ATOM 0 HA PRO A 70 -21.083 9.442 -8.148 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.686 11.183 -6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.246 9.581 -7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.060 10.526 -4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.430 9.465 -4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.992 8.472 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.071 7.588 -5.179 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.344 11.144 -8.122 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.449 12.283 -8.213 1.00 0.00 C ATOM 1082 C GLY A 71 -17.034 11.886 -8.587 1.00 0.00 C ATOM 1083 O GLY A 71 -16.078 12.579 -8.240 1.00 0.00 O ATOM 0 H GLY A 71 -19.266 10.476 -8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.833 12.984 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.435 12.806 -7.257 1.00 0.00 H new ATOM 1087 N SER A 72 -16.902 10.768 -9.295 1.00 0.00 N ATOM 1088 CA SER A 72 -15.594 10.275 -9.716 1.00 0.00 C ATOM 1089 C SER A 72 -14.957 11.220 -10.738 1.00 0.00 C ATOM 1090 O SER A 72 -15.001 12.439 -10.576 1.00 0.00 O ATOM 1091 CB SER A 72 -15.727 8.868 -10.304 1.00 0.00 C ATOM 1092 OG SER A 72 -16.758 8.815 -11.273 1.00 0.00 O ATOM 0 H SER A 72 -17.686 10.186 -9.590 1.00 0.00 H new ATOM 0 HA SER A 72 -14.945 10.234 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.782 8.569 -10.758 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.937 8.156 -9.506 1.00 0.00 H new ATOM 0 HG SER A 72 -16.821 7.906 -11.634 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.369 10.654 -11.790 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.729 11.443 -12.835 1.00 0.00 C ATOM 1100 C ARG A 73 -13.377 10.540 -14.014 1.00 0.00 C ATOM 1101 O ARG A 73 -13.605 10.891 -15.172 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.468 12.123 -12.300 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.556 13.640 -12.283 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.862 14.253 -13.489 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.761 14.377 -14.634 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.548 15.203 -15.653 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -11.470 15.976 -15.671 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -13.414 15.257 -16.657 1.00 0.00 N ATOM 0 H ARG A 73 -14.324 9.646 -11.940 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.422 12.217 -13.166 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.275 11.767 -11.288 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.617 11.824 -12.911 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.603 13.944 -12.271 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.102 14.021 -11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.476 15.237 -13.223 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.005 13.638 -13.766 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.600 13.797 -14.652 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.802 15.937 -14.901 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.309 16.609 -16.455 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.244 14.664 -16.647 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.250 15.891 -17.439 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.827 9.370 -13.693 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.440 8.380 -14.697 1.00 0.00 C ATOM 1124 C ASN A 74 -11.245 8.872 -15.501 1.00 0.00 C ATOM 1125 O ASN A 74 -11.073 8.515 -16.667 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.614 8.068 -15.629 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.570 6.649 -16.163 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.185 5.720 -15.453 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.965 6.477 -17.419 1.00 0.00 N ATOM 0 H ASN A 74 -12.638 9.082 -12.733 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.157 7.464 -14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.550 8.222 -15.093 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.606 8.768 -16.465 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.957 5.545 -17.833 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.276 7.277 -17.970 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.407 9.669 -14.851 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.206 10.194 -15.458 1.00 0.00 C ATOM 1138 C LEU A 75 -8.352 9.066 -15.966 1.00 0.00 C ATOM 1139 O LEU A 75 -7.932 9.015 -17.123 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.436 10.925 -14.380 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.720 12.421 -14.277 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.916 13.046 -13.147 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.425 13.120 -15.595 1.00 0.00 C ATOM 0 H LEU A 75 -10.548 9.966 -13.885 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.462 10.853 -16.288 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.660 10.462 -13.419 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.370 10.786 -14.560 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.779 12.549 -14.054 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.134 14.113 -13.092 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.185 12.571 -12.203 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.852 12.902 -13.335 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.635 14.185 -15.497 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.376 12.979 -15.855 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.053 12.697 -16.380 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.127 8.170 -15.048 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.350 6.987 -15.268 1.00 0.00 C ATOM 1157 C CYS A 76 -8.126 6.022 -16.154 1.00 0.00 C ATOM 1158 O CYS A 76 -7.552 5.301 -16.971 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.081 6.388 -13.908 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.390 5.775 -13.649 1.00 0.00 S ATOM 0 H CYS A 76 -8.491 8.246 -14.098 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.411 7.207 -15.776 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.297 7.140 -13.149 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.777 5.564 -13.748 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.446 6.027 -15.974 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.336 5.164 -16.740 1.00 0.00 C ATOM 1167 C ASN A 77 -9.929 3.712 -16.567 1.00 0.00 C ATOM 1168 O ASN A 77 -9.718 2.989 -17.541 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.309 5.546 -18.223 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.633 5.286 -18.913 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.162 6.149 -19.613 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.178 4.091 -18.719 1.00 0.00 N ATOM 0 H ASN A 77 -9.923 6.625 -15.299 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.352 5.294 -16.368 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.054 6.601 -18.318 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.524 4.982 -18.726 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.069 3.859 -19.158 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.706 3.404 -18.131 1.00 0.00 H new ATOM 1179 N ILE A 78 -9.799 3.299 -15.314 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.393 1.941 -15.004 1.00 0.00 C ATOM 1181 C ILE A 78 -10.483 1.181 -14.252 1.00 0.00 C ATOM 1182 O ILE A 78 -11.310 1.784 -13.570 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.092 1.930 -14.172 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.380 1.625 -12.692 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.385 3.262 -14.328 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.548 2.432 -11.715 1.00 0.00 C ATOM 0 H ILE A 78 -9.969 3.887 -14.498 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.217 1.439 -15.956 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.442 1.137 -14.542 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.435 1.812 -12.493 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.205 0.565 -12.511 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.466 3.257 -13.742 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.144 3.425 -15.378 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.036 4.063 -13.976 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.814 2.155 -10.695 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.490 2.228 -11.882 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.740 3.494 -11.864 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.484 -0.158 -14.347 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.457 -0.986 -13.646 1.00 0.00 C ATOM 1200 C PRO A 79 -11.054 -1.170 -12.188 1.00 0.00 C ATOM 1201 O PRO A 79 -10.020 -1.770 -11.894 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.390 -2.309 -14.405 1.00 0.00 C ATOM 1203 CG PRO A 79 -9.986 -2.389 -14.901 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.524 -0.969 -15.121 1.00 0.00 C ATOM 0 HA PRO A 79 -12.458 -0.556 -13.624 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.629 -3.151 -13.755 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.103 -2.330 -15.229 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.348 -2.896 -14.177 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -9.934 -2.961 -15.827 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.503 -0.822 -14.769 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.538 -0.704 -16.178 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.857 -0.632 -11.277 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.560 -0.722 -9.853 1.00 0.00 C ATOM 1214 C CYS A 80 -11.586 -2.168 -9.361 1.00 0.00 C ATOM 1215 O CYS A 80 -10.579 -2.682 -8.882 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.548 0.133 -9.058 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.017 1.687 -9.894 1.00 0.00 S ATOM 0 H CYS A 80 -12.717 -0.130 -11.499 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.550 -0.343 -9.696 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.448 -0.452 -8.867 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.110 0.371 -8.089 1.00 0.00 H new ATOM 1222 N SER A 81 -12.743 -2.815 -9.462 1.00 0.00 N ATOM 1223 CA SER A 81 -12.892 -4.196 -9.009 1.00 0.00 C ATOM 1224 C SER A 81 -11.850 -5.124 -9.639 1.00 0.00 C ATOM 1225 O SER A 81 -11.495 -6.149 -9.058 1.00 0.00 O ATOM 1226 CB SER A 81 -14.298 -4.707 -9.328 1.00 0.00 C ATOM 1227 OG SER A 81 -14.633 -4.464 -10.684 1.00 0.00 O ATOM 0 H SER A 81 -13.592 -2.406 -9.853 1.00 0.00 H new ATOM 0 HA SER A 81 -12.734 -4.202 -7.931 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.356 -5.776 -9.122 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.023 -4.217 -8.678 1.00 0.00 H new ATOM 0 HG SER A 81 -15.535 -4.801 -10.863 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.367 -4.768 -10.827 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.372 -5.585 -11.521 1.00 0.00 C ATOM 1235 C ALA A 82 -9.006 -5.493 -10.849 1.00 0.00 C ATOM 1236 O ALA A 82 -8.081 -6.230 -11.193 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.271 -5.170 -12.980 1.00 0.00 C ATOM 0 H ALA A 82 -11.646 -3.924 -11.328 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.700 -6.623 -11.469 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.527 -5.787 -13.483 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.239 -5.302 -13.464 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.975 -4.123 -13.041 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.891 -4.592 -9.882 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.642 -4.406 -9.150 1.00 0.00 C ATOM 1245 C LEU A 83 -7.751 -4.999 -7.752 1.00 0.00 C ATOM 1246 O LEU A 83 -6.753 -5.142 -7.044 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.281 -2.917 -9.066 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.862 -2.163 -7.866 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.833 -2.054 -6.752 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.340 -0.782 -8.287 1.00 0.00 C ATOM 0 H LEU A 83 -9.648 -3.977 -9.585 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.850 -4.925 -9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.195 -2.826 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.620 -2.427 -9.979 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.717 -2.725 -7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.265 -1.515 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.537 -3.053 -6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.958 -1.516 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.750 -0.260 -7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.502 -0.214 -8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.112 -0.881 -9.050 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.973 -5.333 -7.358 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.226 -5.902 -6.042 1.00 0.00 C ATOM 1264 C LEU A 84 -9.558 -7.384 -6.141 1.00 0.00 C ATOM 1265 O LEU A 84 -10.420 -7.893 -5.423 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.363 -5.138 -5.370 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.405 -3.653 -5.719 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.828 -3.122 -5.656 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.492 -2.862 -4.794 1.00 0.00 C ATOM 0 H LEU A 84 -9.807 -5.219 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.324 -5.808 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.311 -5.594 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.269 -5.244 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.046 -3.532 -6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.832 -2.062 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.451 -3.666 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.222 -3.257 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.534 -1.805 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.818 -2.992 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.468 -3.221 -4.899 1.00 0.00 H new ATOM 1281 N SER A 85 -8.852 -8.074 -7.028 1.00 0.00 N ATOM 1282 CA SER A 85 -9.047 -9.508 -7.218 1.00 0.00 C ATOM 1283 C SER A 85 -7.721 -10.234 -7.110 1.00 0.00 C ATOM 1284 O SER A 85 -7.456 -11.206 -7.818 1.00 0.00 O ATOM 1285 CB SER A 85 -9.713 -9.795 -8.566 1.00 0.00 C ATOM 1286 OG SER A 85 -10.010 -8.593 -9.255 1.00 0.00 O ATOM 0 H SER A 85 -8.137 -7.664 -7.629 1.00 0.00 H new ATOM 0 HA SER A 85 -9.710 -9.873 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.055 -10.414 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.630 -10.363 -8.408 1.00 0.00 H new ATOM 0 HG SER A 85 -10.679 -8.084 -8.751 1.00 0.00 H new ATOM 1292 N SER A 86 -6.895 -9.716 -6.219 1.00 0.00 N ATOM 1293 CA SER A 86 -5.557 -10.245 -5.967 1.00 0.00 C ATOM 1294 C SER A 86 -4.663 -9.858 -7.121 1.00 0.00 C ATOM 1295 O SER A 86 -3.637 -10.487 -7.387 1.00 0.00 O ATOM 1296 CB SER A 86 -5.585 -11.766 -5.793 1.00 0.00 C ATOM 1297 OG SER A 86 -4.627 -12.188 -4.837 1.00 0.00 O ATOM 0 H SER A 86 -7.132 -8.909 -5.642 1.00 0.00 H new ATOM 0 HA SER A 86 -5.171 -9.822 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.580 -12.081 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.385 -12.248 -6.750 1.00 0.00 H new ATOM 0 HG SER A 86 -4.666 -13.163 -4.743 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.103 -8.828 -7.825 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.415 -8.327 -8.993 1.00 0.00 C ATOM 1305 C ASP A 87 -4.079 -6.848 -8.845 1.00 0.00 C ATOM 1306 O ASP A 87 -4.974 -6.007 -8.775 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.331 -8.533 -10.187 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.616 -8.383 -11.515 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.596 -9.074 -11.722 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.075 -7.573 -12.349 1.00 0.00 O ATOM 0 H ASP A 87 -5.955 -8.315 -7.596 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.474 -8.862 -9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.775 -9.527 -10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.149 -7.815 -10.138 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.789 -6.531 -8.810 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.357 -5.145 -8.681 1.00 0.00 C ATOM 1317 C ILE A 88 -2.196 -4.490 -10.043 1.00 0.00 C ATOM 1318 O ILE A 88 -1.923 -3.298 -10.132 1.00 0.00 O ATOM 1319 CB ILE A 88 -1.029 -5.013 -7.910 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.166 -6.262 -8.100 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.295 -4.758 -6.436 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.304 -6.024 -7.826 1.00 0.00 C ATOM 0 H ILE A 88 -2.030 -7.210 -8.869 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.140 -4.639 -8.116 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.480 -4.161 -8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.529 -7.049 -7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.284 -6.624 -9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.347 -4.667 -5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.864 -3.835 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.865 -5.589 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.857 -6.950 -7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.681 -5.259 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.433 -5.691 -6.796 1.00 0.00 H new ATOM 1334 N THR A 89 -2.352 -5.278 -11.104 1.00 0.00 N ATOM 1335 CA THR A 89 -2.212 -4.767 -12.463 1.00 0.00 C ATOM 1336 C THR A 89 -2.990 -3.470 -12.658 1.00 0.00 C ATOM 1337 O THR A 89 -2.428 -2.458 -13.071 1.00 0.00 O ATOM 1338 CB THR A 89 -2.692 -5.799 -13.500 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.225 -7.106 -13.144 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.194 -5.439 -14.892 1.00 0.00 C ATOM 0 H THR A 89 -2.575 -6.272 -11.048 1.00 0.00 H new ATOM 0 HA THR A 89 -1.151 -4.570 -12.614 1.00 0.00 H new ATOM 0 HB THR A 89 -3.782 -5.793 -13.508 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.536 -7.757 -13.808 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.546 -6.182 -15.608 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.575 -4.457 -15.172 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.104 -5.420 -14.895 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.291 -3.509 -12.379 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.143 -2.346 -12.542 1.00 0.00 C ATOM 1350 C ALA A 90 -4.719 -1.190 -11.635 1.00 0.00 C ATOM 1351 O ALA A 90 -4.652 -0.039 -12.074 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.595 -2.718 -12.285 1.00 0.00 C ATOM 0 H ALA A 90 -4.775 -4.340 -12.038 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.037 -2.004 -13.572 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.224 -1.837 -12.410 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.904 -3.488 -12.992 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.699 -3.096 -11.268 1.00 0.00 H new ATOM 1358 N SER A 91 -4.427 -1.499 -10.373 1.00 0.00 N ATOM 1359 CA SER A 91 -4.006 -0.481 -9.412 1.00 0.00 C ATOM 1360 C SER A 91 -2.680 0.142 -9.818 1.00 0.00 C ATOM 1361 O SER A 91 -2.450 1.336 -9.612 1.00 0.00 O ATOM 1362 CB SER A 91 -3.887 -1.087 -8.014 1.00 0.00 C ATOM 1363 OG SER A 91 -3.960 -2.501 -8.061 1.00 0.00 O ATOM 0 H SER A 91 -4.474 -2.444 -9.992 1.00 0.00 H new ATOM 0 HA SER A 91 -4.765 0.302 -9.401 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.942 -0.784 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.683 -0.700 -7.378 1.00 0.00 H new ATOM 0 HG SER A 91 -3.880 -2.863 -7.154 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.812 -0.668 -10.398 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.520 -0.173 -10.823 1.00 0.00 C ATOM 1371 C VAL A 92 -0.646 0.652 -12.082 1.00 0.00 C ATOM 1372 O VAL A 92 -0.164 1.769 -12.126 1.00 0.00 O ATOM 1373 CB VAL A 92 0.520 -1.278 -11.063 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.769 -0.679 -11.708 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.866 -1.984 -9.760 1.00 0.00 C ATOM 0 H VAL A 92 -1.977 -1.658 -10.583 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.164 0.440 -9.995 1.00 0.00 H new ATOM 0 HB VAL A 92 0.098 -2.021 -11.740 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.504 -1.466 -11.877 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.503 -0.221 -12.661 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.192 0.078 -11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.604 -2.763 -9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.276 -1.263 -9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.034 -2.433 -9.339 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.298 0.108 -13.101 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.475 0.821 -14.340 1.00 0.00 C ATOM 1387 C ASN A 93 -1.850 2.268 -14.063 1.00 0.00 C ATOM 1388 O ASN A 93 -1.302 3.199 -14.658 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.533 0.133 -15.184 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.686 1.043 -15.561 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.692 1.114 -14.853 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.546 1.744 -16.679 1.00 0.00 N ATOM 0 H ASN A 93 -1.710 -0.825 -13.085 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.537 0.817 -14.896 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.070 -0.250 -16.093 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.921 -0.726 -14.637 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.289 2.373 -16.983 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.695 1.654 -17.234 1.00 0.00 H new ATOM 1399 N CYS A 94 -2.773 2.442 -13.127 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.215 3.766 -12.740 1.00 0.00 C ATOM 1401 C CYS A 94 -2.062 4.569 -12.155 1.00 0.00 C ATOM 1402 O CYS A 94 -1.851 5.722 -12.528 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.353 3.681 -11.728 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.420 5.153 -11.716 1.00 0.00 S ATOM 0 H CYS A 94 -3.228 1.680 -12.624 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.578 4.273 -13.634 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.960 2.803 -11.948 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -3.934 3.537 -10.732 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.315 3.961 -11.232 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.192 4.654 -10.612 1.00 0.00 C ATOM 1411 C ALA A 95 0.948 4.843 -11.598 1.00 0.00 C ATOM 1412 O ALA A 95 1.585 5.886 -11.610 1.00 0.00 O ATOM 1413 CB ALA A 95 0.289 3.940 -9.373 1.00 0.00 C ATOM 0 H ALA A 95 -1.465 3.007 -10.904 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.549 5.638 -10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.126 4.487 -8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.522 3.884 -8.647 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.611 2.932 -9.636 1.00 0.00 H new ATOM 1419 N LYS A 96 1.189 3.848 -12.447 1.00 0.00 N ATOM 1420 CA LYS A 96 2.233 3.960 -13.450 1.00 0.00 C ATOM 1421 C LYS A 96 2.025 5.294 -14.155 1.00 0.00 C ATOM 1422 O LYS A 96 2.964 6.007 -14.516 1.00 0.00 O ATOM 1423 CB LYS A 96 2.142 2.809 -14.454 1.00 0.00 C ATOM 1424 CG LYS A 96 3.496 2.273 -14.889 1.00 0.00 C ATOM 1425 CD LYS A 96 3.442 1.694 -16.293 1.00 0.00 C ATOM 1426 CE LYS A 96 3.671 0.191 -16.284 1.00 0.00 C ATOM 1427 NZ LYS A 96 4.858 -0.195 -17.097 1.00 0.00 N ATOM 0 H LYS A 96 0.679 2.965 -12.458 1.00 0.00 H new ATOM 0 HA LYS A 96 3.219 3.910 -12.988 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.564 1.997 -14.012 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.595 3.148 -15.334 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.234 3.074 -14.853 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.826 1.504 -14.190 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.473 1.913 -16.741 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.197 2.175 -16.915 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.808 -0.149 -15.258 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.786 -0.313 -16.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.980 -1.227 -17.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.717 0.107 -18.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.707 0.266 -16.712 1.00 0.00 H new ATOM 1441 N LYS A 97 0.742 5.623 -14.277 1.00 0.00 N ATOM 1442 CA LYS A 97 0.307 6.874 -14.872 1.00 0.00 C ATOM 1443 C LYS A 97 0.399 7.997 -13.845 1.00 0.00 C ATOM 1444 O LYS A 97 0.739 9.133 -14.180 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.126 6.753 -15.397 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.289 7.214 -16.835 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.520 8.089 -17.004 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.413 8.970 -18.238 1.00 0.00 C ATOM 1449 NZ LYS A 97 -2.389 8.168 -19.493 1.00 0.00 N ATOM 0 H LYS A 97 -0.023 5.026 -13.964 1.00 0.00 H new ATOM 0 HA LYS A 97 0.961 7.106 -15.713 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.446 5.714 -15.319 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.788 7.339 -14.759 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.402 7.768 -17.143 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.366 6.346 -17.490 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.407 7.460 -17.081 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.648 8.714 -16.120 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.256 9.661 -18.265 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.508 9.574 -18.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.332 8.806 -20.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.561 7.539 -19.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.257 7.598 -19.558 1.00 0.00 H new ATOM 1463 N ILE A 98 0.114 7.666 -12.587 1.00 0.00 N ATOM 1464 CA ILE A 98 0.184 8.643 -11.510 1.00 0.00 C ATOM 1465 C ILE A 98 1.607 9.178 -11.366 1.00 0.00 C ATOM 1466 O ILE A 98 1.829 10.389 -11.324 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.291 8.056 -10.165 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.789 7.732 -10.229 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.007 9.031 -9.030 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.279 6.896 -9.066 1.00 0.00 C ATOM 0 H ILE A 98 -0.166 6.731 -12.292 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.487 9.460 -11.774 1.00 0.00 H new ATOM 0 HB ILE A 98 0.258 7.134 -9.973 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.353 8.664 -10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -1.998 7.204 -11.159 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.348 8.602 -8.088 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.065 9.223 -8.975 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.534 9.967 -9.214 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.346 6.706 -9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.742 5.948 -9.048 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.102 7.431 -8.133 1.00 0.00 H new ATOM 1482 N VAL A 99 2.563 8.259 -11.290 1.00 0.00 N ATOM 1483 CA VAL A 99 3.969 8.607 -11.148 1.00 0.00 C ATOM 1484 C VAL A 99 4.525 9.198 -12.440 1.00 0.00 C ATOM 1485 O VAL A 99 5.466 9.990 -12.413 1.00 0.00 O ATOM 1486 CB VAL A 99 4.808 7.387 -10.725 1.00 0.00 C ATOM 1487 CG1 VAL A 99 5.256 6.576 -11.932 1.00 0.00 C ATOM 1488 CG2 VAL A 99 6.002 7.825 -9.892 1.00 0.00 C ATOM 0 H VAL A 99 2.385 7.255 -11.325 1.00 0.00 H new ATOM 0 HA VAL A 99 4.036 9.361 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 99 4.178 6.742 -10.112 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.846 5.722 -11.598 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.381 6.222 -12.477 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.862 7.202 -12.586 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.584 6.950 -9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.627 8.498 -10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.652 8.341 -8.998 1.00 0.00 H new ATOM 1498 N SER A 100 3.921 8.831 -13.571 1.00 0.00 N ATOM 1499 CA SER A 100 4.351 9.358 -14.860 1.00 0.00 C ATOM 1500 C SER A 100 3.722 10.727 -15.092 1.00 0.00 C ATOM 1501 O SER A 100 4.085 11.446 -16.024 1.00 0.00 O ATOM 1502 CB SER A 100 3.963 8.403 -15.990 1.00 0.00 C ATOM 1503 OG SER A 100 4.442 8.867 -17.240 1.00 0.00 O ATOM 0 H SER A 100 3.140 8.177 -13.618 1.00 0.00 H new ATOM 0 HA SER A 100 5.436 9.457 -14.853 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.369 7.412 -15.787 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.878 8.302 -16.028 1.00 0.00 H new ATOM 0 HG SER A 100 4.580 9.836 -17.198 1.00 0.00 H new ATOM 1509 N ASP A 101 2.773 11.074 -14.227 1.00 0.00 N ATOM 1510 CA ASP A 101 2.077 12.352 -14.315 1.00 0.00 C ATOM 1511 C ASP A 101 2.763 13.413 -13.458 1.00 0.00 C ATOM 1512 O ASP A 101 2.378 14.581 -13.478 1.00 0.00 O ATOM 1513 CB ASP A 101 0.619 12.194 -13.877 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.340 12.202 -15.051 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.290 11.257 -15.865 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.143 13.154 -15.155 1.00 0.00 O ATOM 0 H ASP A 101 2.468 10.483 -13.453 1.00 0.00 H new ATOM 0 HA ASP A 101 2.107 12.678 -15.355 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.507 11.260 -13.326 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.358 13.001 -13.193 1.00 0.00 H new ATOM 1521 N GLY A 102 3.783 13.000 -12.709 1.00 0.00 N ATOM 1522 CA GLY A 102 4.504 13.934 -11.862 1.00 0.00 C ATOM 1523 C GLY A 102 4.742 13.400 -10.461 1.00 0.00 C ATOM 1524 O GLY A 102 5.872 13.407 -9.973 1.00 0.00 O ATOM 0 H GLY A 102 4.122 12.039 -12.674 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.463 14.169 -12.323 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.943 14.867 -11.799 1.00 0.00 H new ATOM 1528 N ASN A 103 3.674 12.942 -9.813 1.00 0.00 N ATOM 1529 CA ASN A 103 3.768 12.407 -8.456 1.00 0.00 C ATOM 1530 C ASN A 103 4.747 11.238 -8.392 1.00 0.00 C ATOM 1531 O ASN A 103 4.378 10.092 -8.642 1.00 0.00 O ATOM 1532 CB ASN A 103 2.389 11.958 -7.973 1.00 0.00 C ATOM 1533 CG ASN A 103 1.378 13.087 -7.982 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.412 13.066 -8.744 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.596 14.084 -7.131 1.00 0.00 N ATOM 0 H ASN A 103 2.733 12.930 -10.205 1.00 0.00 H new ATOM 0 HA ASN A 103 4.139 13.199 -7.805 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.031 11.148 -8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 103 2.473 11.558 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.949 14.872 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.410 14.061 -6.517 1.00 0.00 H new ATOM 1542 N GLY A 104 5.997 11.538 -8.057 1.00 0.00 N ATOM 1543 CA GLY A 104 7.015 10.506 -7.971 1.00 0.00 C ATOM 1544 C GLY A 104 7.175 9.935 -6.573 1.00 0.00 C ATOM 1545 O GLY A 104 8.223 10.109 -5.950 1.00 0.00 O ATOM 0 H GLY A 104 6.325 12.480 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.763 9.699 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.969 10.918 -8.299 1.00 0.00 H new ATOM 1549 N MET A 105 6.124 9.273 -6.079 1.00 0.00 N ATOM 1550 CA MET A 105 6.117 8.675 -4.744 1.00 0.00 C ATOM 1551 C MET A 105 5.733 9.720 -3.714 1.00 0.00 C ATOM 1552 O MET A 105 5.763 9.470 -2.510 1.00 0.00 O ATOM 1553 CB MET A 105 7.475 8.054 -4.391 1.00 0.00 C ATOM 1554 CG MET A 105 8.027 7.126 -5.464 1.00 0.00 C ATOM 1555 SD MET A 105 6.748 6.135 -6.260 1.00 0.00 S ATOM 1556 CE MET A 105 6.067 5.272 -4.849 1.00 0.00 C ATOM 0 H MET A 105 5.255 9.138 -6.595 1.00 0.00 H new ATOM 0 HA MET A 105 5.380 7.872 -4.740 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.193 8.854 -4.212 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.378 7.498 -3.459 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.543 7.719 -6.219 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.768 6.463 -5.018 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.868 4.235 -5.118 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.780 5.303 -4.025 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.137 5.752 -4.543 1.00 0.00 H new ATOM 1566 N ASN A 106 5.374 10.897 -4.205 1.00 0.00 N ATOM 1567 CA ASN A 106 4.982 12.005 -3.354 1.00 0.00 C ATOM 1568 C ASN A 106 3.471 12.037 -3.139 1.00 0.00 C ATOM 1569 O ASN A 106 2.995 12.471 -2.089 1.00 0.00 O ATOM 1570 CB ASN A 106 5.443 13.313 -3.991 1.00 0.00 C ATOM 1571 CG ASN A 106 6.821 13.735 -3.521 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.787 13.701 -4.283 1.00 0.00 O ATOM 1573 ND2 ASN A 106 6.918 14.137 -2.259 1.00 0.00 N ATOM 0 H ASN A 106 5.347 11.108 -5.203 1.00 0.00 H new ATOM 0 HA ASN A 106 5.453 11.876 -2.380 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.451 13.202 -5.075 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.726 14.100 -3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.820 14.434 -1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.091 14.149 -1.663 1.00 0.00 H new ATOM 1580 N ALA A 107 2.722 11.575 -4.136 1.00 0.00 N ATOM 1581 CA ALA A 107 1.266 11.550 -4.050 1.00 0.00 C ATOM 1582 C ALA A 107 0.810 10.735 -2.849 1.00 0.00 C ATOM 1583 O ALA A 107 -0.161 11.083 -2.177 1.00 0.00 O ATOM 1584 CB ALA A 107 0.667 10.985 -5.327 1.00 0.00 C ATOM 0 H ALA A 107 3.099 11.213 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 107 0.916 12.575 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.420 10.974 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.961 11.607 -6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.030 9.969 -5.480 1.00 0.00 H new ATOM 1590 N TRP A 108 1.523 9.647 -2.587 1.00 0.00 N ATOM 1591 CA TRP A 108 1.204 8.771 -1.471 1.00 0.00 C ATOM 1592 C TRP A 108 1.856 9.284 -0.187 1.00 0.00 C ATOM 1593 O TRP A 108 3.073 9.461 -0.120 1.00 0.00 O ATOM 1594 CB TRP A 108 1.647 7.344 -1.796 1.00 0.00 C ATOM 1595 CG TRP A 108 1.091 6.857 -3.104 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.113 6.244 -3.305 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.707 6.957 -4.395 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.280 5.951 -4.637 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.823 6.379 -5.328 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.920 7.477 -4.854 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 1.115 6.309 -6.691 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 3.209 7.406 -6.204 1.00 0.00 C ATOM 1603 CH2 TRP A 108 2.309 6.828 -7.109 1.00 0.00 C ATOM 0 H TRP A 108 2.330 9.351 -3.136 1.00 0.00 H new ATOM 0 HA TRP A 108 0.126 8.766 -1.310 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.736 7.303 -1.829 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.327 6.676 -0.997 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -0.830 6.022 -2.529 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.093 5.490 -5.045 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.620 7.927 -4.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.424 5.862 -7.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 4.145 7.803 -6.568 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.563 6.792 -8.158 1.00 0.00 H new ATOM 1614 N VAL A 109 1.024 9.552 0.815 1.00 0.00 N ATOM 1615 CA VAL A 109 1.484 10.086 2.096 1.00 0.00 C ATOM 1616 C VAL A 109 2.215 9.057 2.951 1.00 0.00 C ATOM 1617 O VAL A 109 3.033 9.421 3.797 1.00 0.00 O ATOM 1618 CB VAL A 109 0.326 10.640 2.918 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.733 11.925 3.624 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -0.912 10.861 2.059 1.00 0.00 C ATOM 0 H VAL A 109 0.016 9.406 0.764 1.00 0.00 H new ATOM 0 HA VAL A 109 2.182 10.881 1.833 1.00 0.00 H new ATOM 0 HB VAL A 109 0.072 9.898 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.108 12.303 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.572 11.724 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.027 12.669 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.718 11.256 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.682 11.571 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.224 9.914 1.619 1.00 0.00 H new ATOM 1630 N ALA A 110 1.926 7.781 2.741 1.00 0.00 N ATOM 1631 CA ALA A 110 2.575 6.728 3.516 1.00 0.00 C ATOM 1632 C ALA A 110 4.061 6.660 3.204 1.00 0.00 C ATOM 1633 O ALA A 110 4.847 6.129 3.988 1.00 0.00 O ATOM 1634 CB ALA A 110 1.912 5.387 3.249 1.00 0.00 C ATOM 0 H ALA A 110 1.254 7.450 2.049 1.00 0.00 H new ATOM 0 HA ALA A 110 2.463 6.967 4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.408 4.613 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.861 5.438 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.991 5.147 2.189 1.00 0.00 H new ATOM 1640 N TRP A 111 4.441 7.216 2.063 1.00 0.00 N ATOM 1641 CA TRP A 111 5.838 7.229 1.663 1.00 0.00 C ATOM 1642 C TRP A 111 6.537 8.464 2.220 1.00 0.00 C ATOM 1643 O TRP A 111 7.698 8.399 2.620 1.00 0.00 O ATOM 1644 CB TRP A 111 5.978 7.168 0.139 1.00 0.00 C ATOM 1645 CG TRP A 111 7.403 7.206 -0.328 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.207 6.135 -0.590 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.194 8.374 -0.584 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.449 6.563 -0.993 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.466 7.933 -0.998 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.952 9.748 -0.505 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.490 8.817 -1.330 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.968 10.625 -0.835 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.223 10.156 -1.244 1.00 0.00 C ATOM 0 H TRP A 111 3.805 7.661 1.402 1.00 0.00 H new ATOM 0 HA TRP A 111 6.318 6.342 2.076 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.508 6.255 -0.226 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.436 8.004 -0.302 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.910 5.101 -0.494 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.231 5.959 -1.247 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.987 10.118 -0.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.459 8.458 -1.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.792 11.689 -0.777 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.996 10.866 -1.497 1.00 0.00 H new ATOM 1664 N ARG A 112 5.823 9.589 2.270 1.00 0.00 N ATOM 1665 CA ARG A 112 6.381 10.824 2.808 1.00 0.00 C ATOM 1666 C ARG A 112 6.049 10.966 4.289 1.00 0.00 C ATOM 1667 O ARG A 112 5.659 12.040 4.748 1.00 0.00 O ATOM 1668 CB ARG A 112 5.827 12.019 2.051 1.00 0.00 C ATOM 1669 CG ARG A 112 6.820 12.650 1.088 1.00 0.00 C ATOM 1670 CD ARG A 112 6.662 14.161 1.035 1.00 0.00 C ATOM 1671 NE ARG A 112 6.805 14.772 2.354 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.532 15.860 2.588 1.00 0.00 C ATOM 1673 NH1 ARG A 112 8.179 16.456 1.595 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.611 16.355 3.816 1.00 0.00 N ATOM 0 H ARG A 112 4.860 9.668 1.945 1.00 0.00 H new ATOM 0 HA ARG A 112 7.464 10.787 2.691 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.944 11.707 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.502 12.773 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.835 12.400 1.395 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.677 12.233 0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.407 14.580 0.359 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.683 14.409 0.625 1.00 0.00 H new ATOM 0 HE ARG A 112 6.320 14.339 3.140 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.119 16.080 0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.736 17.291 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.114 15.901 4.582 1.00 0.00 H new ATOM 0 HH22 ARG A 112 8.169 17.190 3.994 1.00 0.00 H new ATOM 1688 N ASN A 113 6.207 9.884 5.029 1.00 0.00 N ATOM 1689 CA ASN A 113 5.924 9.895 6.460 1.00 0.00 C ATOM 1690 C ASN A 113 6.724 8.824 7.186 1.00 0.00 C ATOM 1691 O ASN A 113 7.565 9.126 8.033 1.00 0.00 O ATOM 1692 CB ASN A 113 4.429 9.685 6.706 1.00 0.00 C ATOM 1693 CG ASN A 113 3.941 10.405 7.948 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.231 9.686 8.809 1.00 0.00 O flip ATOM 1695 ND2 ASN A 113 4.201 11.594 8.133 1.00 0.00 N flip ATOM 0 H ASN A 113 6.529 8.986 4.668 1.00 0.00 H new ATOM 0 HA ASN A 113 6.219 10.868 6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.868 10.038 5.841 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.226 8.619 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 113 4.750 12.109 7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.867 12.064 8.974 1.00 0.00 H new ATOM 1702 N ARG A 114 6.448 7.572 6.852 1.00 0.00 N ATOM 1703 CA ARG A 114 7.130 6.447 7.473 1.00 0.00 C ATOM 1704 C ARG A 114 8.257 5.926 6.590 1.00 0.00 C ATOM 1705 O ARG A 114 8.970 4.995 6.965 1.00 0.00 O ATOM 1706 CB ARG A 114 6.133 5.327 7.752 1.00 0.00 C ATOM 1707 CG ARG A 114 5.493 5.407 9.127 1.00 0.00 C ATOM 1708 CD ARG A 114 3.991 5.623 9.031 1.00 0.00 C ATOM 1709 NE ARG A 114 3.526 6.656 9.953 1.00 0.00 N ATOM 1710 CZ ARG A 114 3.213 6.423 11.224 1.00 0.00 C ATOM 1711 NH1 ARG A 114 3.316 5.198 11.723 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.797 7.415 11.999 1.00 0.00 N ATOM 0 H ARG A 114 5.754 7.309 6.152 1.00 0.00 H new ATOM 0 HA ARG A 114 7.566 6.792 8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.350 5.353 6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.641 4.368 7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.695 4.488 9.677 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.944 6.223 9.692 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.730 5.904 8.011 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.476 4.687 9.246 1.00 0.00 H new ATOM 0 HE ARG A 114 3.436 7.610 9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 114 3.636 4.431 11.131 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.075 5.023 12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.717 8.359 11.620 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.557 7.234 12.974 1.00 0.00 H new ATOM 1726 N CYS A 115 8.408 6.520 5.411 1.00 0.00 N ATOM 1727 CA CYS A 115 9.442 6.093 4.479 1.00 0.00 C ATOM 1728 C CYS A 115 10.507 7.165 4.276 1.00 0.00 C ATOM 1729 O CYS A 115 11.701 6.866 4.282 1.00 0.00 O ATOM 1730 CB CYS A 115 8.825 5.727 3.133 1.00 0.00 C ATOM 1731 SG CYS A 115 9.910 4.714 2.085 1.00 0.00 S ATOM 0 H CYS A 115 7.831 7.294 5.081 1.00 0.00 H new ATOM 0 HA CYS A 115 9.924 5.217 4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.893 5.188 3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.570 6.642 2.599 1.00 0.00 H new ATOM 1736 N LYS A 116 10.075 8.407 4.084 1.00 0.00 N ATOM 1737 CA LYS A 116 11.003 9.511 3.867 1.00 0.00 C ATOM 1738 C LYS A 116 12.003 9.624 5.013 1.00 0.00 C ATOM 1739 O LYS A 116 11.735 10.279 6.021 1.00 0.00 O ATOM 1740 CB LYS A 116 10.235 10.825 3.712 1.00 0.00 C ATOM 1741 CG LYS A 116 11.079 11.960 3.153 1.00 0.00 C ATOM 1742 CD LYS A 116 10.487 12.510 1.866 1.00 0.00 C ATOM 1743 CE LYS A 116 11.374 13.588 1.262 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.483 14.778 2.151 1.00 0.00 N ATOM 0 H LYS A 116 9.091 8.674 4.074 1.00 0.00 H new ATOM 0 HA LYS A 116 11.557 9.309 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.380 10.662 3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.839 11.122 4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.153 12.758 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.092 11.604 2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.357 11.700 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.497 12.921 2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.368 13.180 1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.970 13.892 0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.966 15.547 1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.531 15.091 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.028 14.528 3.001 1.00 0.00 H new ATOM 1758 N GLY A 117 13.158 8.986 4.850 1.00 0.00 N ATOM 1759 CA GLY A 117 14.180 9.035 5.877 1.00 0.00 C ATOM 1760 C GLY A 117 14.749 7.670 6.213 1.00 0.00 C ATOM 1761 O GLY A 117 15.560 7.544 7.131 1.00 0.00 O ATOM 0 H GLY A 117 13.403 8.437 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.988 9.688 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.760 9.479 6.779 1.00 0.00 H new ATOM 1765 N THR A 118 14.332 6.643 5.474 1.00 0.00 N ATOM 1766 CA THR A 118 14.816 5.287 5.712 1.00 0.00 C ATOM 1767 C THR A 118 15.553 4.749 4.486 1.00 0.00 C ATOM 1768 O THR A 118 16.157 5.513 3.733 1.00 0.00 O ATOM 1769 CB THR A 118 13.658 4.336 6.070 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.671 4.353 5.032 1.00 0.00 O ATOM 1771 CG2 THR A 118 13.019 4.735 7.391 1.00 0.00 C ATOM 0 H THR A 118 13.663 6.725 4.709 1.00 0.00 H new ATOM 0 HA THR A 118 15.507 5.333 6.554 1.00 0.00 H new ATOM 0 HB THR A 118 14.062 3.329 6.170 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.321 5.263 4.928 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.204 4.049 7.623 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.766 4.692 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.629 5.750 7.314 1.00 0.00 H new ATOM 1779 N ASP A 119 15.505 3.432 4.291 1.00 0.00 N ATOM 1780 CA ASP A 119 16.176 2.808 3.156 1.00 0.00 C ATOM 1781 C ASP A 119 15.291 1.767 2.476 1.00 0.00 C ATOM 1782 O ASP A 119 15.055 0.686 3.016 1.00 0.00 O ATOM 1783 CB ASP A 119 17.470 2.170 3.598 1.00 0.00 C ATOM 1784 CG ASP A 119 18.520 2.163 2.503 1.00 0.00 C ATOM 1785 OD1 ASP A 119 19.124 3.227 2.254 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.738 1.094 1.896 1.00 0.00 O ATOM 0 H ASP A 119 15.011 2.781 4.901 1.00 0.00 H new ATOM 0 HA ASP A 119 16.387 3.593 2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.858 2.706 4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.276 1.146 3.917 1.00 0.00 H new ATOM 1791 N VAL A 120 14.811 2.102 1.282 1.00 0.00 N ATOM 1792 CA VAL A 120 13.960 1.209 0.511 1.00 0.00 C ATOM 1793 C VAL A 120 14.789 0.115 -0.143 1.00 0.00 C ATOM 1794 O VAL A 120 14.311 -1.000 -0.351 1.00 0.00 O ATOM 1795 CB VAL A 120 13.181 1.973 -0.577 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.228 2.977 0.053 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.138 2.667 -1.535 1.00 0.00 C ATOM 0 H VAL A 120 15.001 2.995 0.826 1.00 0.00 H new ATOM 0 HA VAL A 120 13.246 0.763 1.204 1.00 0.00 H new ATOM 0 HB VAL A 120 12.592 1.254 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.687 3.507 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.518 2.453 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.795 3.692 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.568 3.201 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.757 3.374 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.776 1.924 -2.014 1.00 0.00 H new ATOM 1807 N GLN A 121 16.043 0.437 -0.452 1.00 0.00 N ATOM 1808 CA GLN A 121 16.945 -0.527 -1.064 1.00 0.00 C ATOM 1809 C GLN A 121 17.092 -1.731 -0.147 1.00 0.00 C ATOM 1810 O GLN A 121 17.396 -2.838 -0.591 1.00 0.00 O ATOM 1811 CB GLN A 121 18.312 0.108 -1.327 1.00 0.00 C ATOM 1812 CG GLN A 121 18.612 0.319 -2.801 1.00 0.00 C ATOM 1813 CD GLN A 121 19.434 -0.807 -3.397 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.566 -0.600 -3.835 1.00 0.00 O ATOM 1815 NE2 GLN A 121 18.867 -2.008 -3.415 1.00 0.00 N ATOM 0 H GLN A 121 16.454 1.356 -0.288 1.00 0.00 H new ATOM 0 HA GLN A 121 16.530 -0.847 -2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.362 1.068 -0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.087 -0.525 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.674 0.409 -3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 121 19.147 1.260 -2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 121 17.926 -2.134 -3.041 1.00 0.00 H new ATOM 0 HE22 GLN A 121 19.372 -2.805 -3.803 1.00 0.00 H new ATOM 1824 N ALA A 122 16.855 -1.497 1.140 1.00 0.00 N ATOM 1825 CA ALA A 122 16.935 -2.548 2.141 1.00 0.00 C ATOM 1826 C ALA A 122 15.582 -3.227 2.306 1.00 0.00 C ATOM 1827 O ALA A 122 15.498 -4.358 2.784 1.00 0.00 O ATOM 1828 CB ALA A 122 17.414 -1.980 3.469 1.00 0.00 C ATOM 0 H ALA A 122 16.605 -0.581 1.513 1.00 0.00 H new ATOM 0 HA ALA A 122 17.656 -3.294 1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.469 -2.779 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.401 -1.537 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.715 -1.216 3.811 1.00 0.00 H new ATOM 1834 N TRP A 123 14.520 -2.531 1.898 1.00 0.00 N ATOM 1835 CA TRP A 123 13.169 -3.080 1.995 1.00 0.00 C ATOM 1836 C TRP A 123 13.022 -4.313 1.109 1.00 0.00 C ATOM 1837 O TRP A 123 12.106 -5.116 1.292 1.00 0.00 O ATOM 1838 CB TRP A 123 12.128 -2.031 1.601 1.00 0.00 C ATOM 1839 CG TRP A 123 11.636 -1.207 2.753 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.440 0.143 2.763 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.273 -1.673 4.060 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.984 0.542 3.994 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.874 -0.558 4.804 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.249 -2.924 4.675 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.458 -0.664 6.124 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.835 -3.026 5.985 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.443 -1.900 6.697 1.00 0.00 C ATOM 0 H TRP A 123 14.569 -1.593 1.500 1.00 0.00 H new ATOM 0 HA TRP A 123 13.000 -3.370 3.032 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.559 -1.369 0.850 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.279 -2.532 1.135 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.618 0.801 1.925 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.763 1.501 4.262 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.552 -3.805 4.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.154 0.210 6.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.815 -3.994 6.464 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.121 -2.006 7.722 1.00 0.00 H new ATOM 1858 N ILE A 124 13.929 -4.458 0.149 1.00 0.00 N ATOM 1859 CA ILE A 124 13.904 -5.593 -0.766 1.00 0.00 C ATOM 1860 C ILE A 124 15.232 -6.342 -0.747 1.00 0.00 C ATOM 1861 O ILE A 124 15.481 -7.207 -1.588 1.00 0.00 O ATOM 1862 CB ILE A 124 13.598 -5.148 -2.209 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.527 -4.005 -2.623 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.141 -4.728 -2.336 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.524 -4.394 -3.694 1.00 0.00 C ATOM 0 H ILE A 124 14.692 -3.802 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 124 13.110 -6.257 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 124 13.772 -5.991 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.925 -3.171 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.068 -3.651 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.940 -4.416 -3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.496 -5.569 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.941 -3.898 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.149 -3.535 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.151 -5.208 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.990 -4.720 -4.587 1.00 0.00 H new ATOM 1877 N ARG A 125 16.080 -6.001 0.217 1.00 0.00 N ATOM 1878 CA ARG A 125 17.385 -6.640 0.350 1.00 0.00 C ATOM 1879 C ARG A 125 17.238 -8.110 0.726 1.00 0.00 C ATOM 1880 O ARG A 125 17.026 -8.445 1.892 1.00 0.00 O ATOM 1881 CB ARG A 125 18.226 -5.914 1.402 1.00 0.00 C ATOM 1882 CG ARG A 125 19.723 -6.104 1.221 1.00 0.00 C ATOM 1883 CD ARG A 125 20.484 -5.783 2.497 1.00 0.00 C ATOM 1884 NE ARG A 125 21.181 -6.952 3.027 1.00 0.00 N ATOM 1885 CZ ARG A 125 20.929 -7.485 4.220 1.00 0.00 C ATOM 1886 NH1 ARG A 125 19.999 -6.954 5.003 1.00 0.00 N ATOM 1887 NH2 ARG A 125 21.607 -8.547 4.629 1.00 0.00 N ATOM 0 H ARG A 125 15.888 -5.286 0.918 1.00 0.00 H new ATOM 0 HA ARG A 125 17.890 -6.581 -0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.996 -4.849 1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.940 -6.269 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.927 -7.133 0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.077 -5.463 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 125 21.205 -4.990 2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.790 -5.404 3.247 1.00 0.00 H new ATOM 0 HE ARG A 125 21.902 -7.385 2.450 1.00 0.00 H new ATOM 0 HH11 ARG A 125 19.476 -6.136 4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 125 19.807 -7.364 5.917 1.00 0.00 H new ATOM 0 HH21 ARG A 125 22.323 -8.957 4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 125 21.413 -8.955 5.544 1.00 0.00 H new ATOM 1901 N GLY A 126 17.352 -8.985 -0.269 1.00 0.00 N ATOM 1902 CA GLY A 126 17.230 -10.411 -0.023 1.00 0.00 C ATOM 1903 C GLY A 126 15.985 -11.004 -0.654 1.00 0.00 C ATOM 1904 O GLY A 126 15.773 -12.216 -0.603 1.00 0.00 O ATOM 0 H GLY A 126 17.527 -8.732 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.110 -10.921 -0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.210 -10.591 1.052 1.00 0.00 H new ATOM 1908 N CYS A 127 15.160 -10.149 -1.250 1.00 0.00 N ATOM 1909 CA CYS A 127 13.932 -10.591 -1.893 1.00 0.00 C ATOM 1910 C CYS A 127 14.221 -11.349 -3.182 1.00 0.00 C ATOM 1911 O CYS A 127 14.937 -10.859 -4.056 1.00 0.00 O ATOM 1912 CB CYS A 127 13.033 -9.403 -2.172 1.00 0.00 C ATOM 1913 SG CYS A 127 11.861 -9.023 -0.831 1.00 0.00 S ATOM 0 H CYS A 127 15.322 -9.143 -1.300 1.00 0.00 H new ATOM 0 HA CYS A 127 13.422 -11.273 -1.212 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.654 -8.527 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.472 -9.593 -3.087 1.00 0.00 H new ATOM 1918 N ARG A 128 13.658 -12.547 -3.294 1.00 0.00 N ATOM 1919 CA ARG A 128 13.853 -13.378 -4.476 1.00 0.00 C ATOM 1920 C ARG A 128 12.988 -12.889 -5.633 1.00 0.00 C ATOM 1921 O ARG A 128 11.856 -13.341 -5.811 1.00 0.00 O ATOM 1922 CB ARG A 128 13.524 -14.838 -4.159 1.00 0.00 C ATOM 1923 CG ARG A 128 14.440 -15.455 -3.115 1.00 0.00 C ATOM 1924 CD ARG A 128 13.981 -16.851 -2.728 1.00 0.00 C ATOM 1925 NE ARG A 128 14.746 -17.889 -3.414 1.00 0.00 N ATOM 1926 CZ ARG A 128 14.375 -19.165 -3.469 1.00 0.00 C ATOM 1927 NH1 ARG A 128 13.254 -19.558 -2.881 1.00 0.00 N ATOM 1928 NH2 ARG A 128 15.125 -20.047 -4.113 1.00 0.00 N ATOM 0 H ARG A 128 13.062 -12.965 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 128 14.899 -13.305 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.494 -14.902 -3.809 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.586 -15.423 -5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.458 -15.500 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.464 -14.820 -2.229 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.081 -16.980 -1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.923 -16.964 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 128 15.614 -17.620 -3.877 1.00 0.00 H new ATOM 0 HH11 ARG A 128 12.674 -18.881 -2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.971 -20.537 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 128 15.988 -19.748 -4.567 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.840 -21.025 -4.155 1.00 0.00 H new ATOM 1942 N LEU A 129 13.527 -11.960 -6.417 1.00 0.00 N ATOM 1943 CA LEU A 129 12.805 -11.409 -7.558 1.00 0.00 C ATOM 1944 C LEU A 129 13.771 -10.969 -8.653 1.00 0.00 C ATOM 1945 O LEU A 129 14.971 -10.799 -8.351 1.00 0.00 O ATOM 1946 CB LEU A 129 11.940 -10.227 -7.114 1.00 0.00 C ATOM 1947 CG LEU A 129 12.709 -8.948 -6.776 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.561 -7.925 -7.892 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.227 -8.370 -5.454 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.319 -10.800 -9.806 1.00 0.00 O ATOM 0 H LEU A 129 14.461 -11.573 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 129 12.161 -12.190 -7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.225 -10.003 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.364 -10.527 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 129 13.765 -9.198 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.115 -7.022 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 129 12.955 -8.339 -8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.507 -7.679 -8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.785 -7.461 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.165 -8.136 -5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.386 -9.099 -4.659 1.00 0.00 H new