USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 934 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 45 ASN : amide:sc= 1.99 K(o=3.1,f=-2.8!) USER MOD Set 1.2: A 86 SER OG : rot 118:sc= 1.1 USER MOD Set 2.1: A 76 ASN : amide:sc= -0.116 K(o=0.78,f=-3.6) USER MOD Set 2.2: A 80 LYS NZ :NH3+ 133:sc= 0.9 (180deg=0.433) USER MOD Set 3.1: A 66 GLN : amide:sc= 0.981 K(o=2.1,f=-4.3) USER MOD Set 3.2: A 67 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0) USER MOD Set 4.1: A 31 MET CE :methyl -135:sc= 0 (180deg=-0.358) USER MOD Set 4.2: A 39 CYS SG : rot 45:sc= -1.56! USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -147:sc= 1.26 (180deg=0.536) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00128 USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= 1.16 (180deg=0.76) USER MOD Single : A 13 GLN : amide:sc= -0.513 X(o=-0.51,f=-0.51) USER MOD Single : A 14 GLN : amide:sc= -0.69 K(o=-0.69,f=-4.7!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -172:sc= -1.02 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 35 ASN : amide:sc= -0.0357 K(o=-0.036,f=-2.5) USER MOD Single : A 38 GLN : amide:sc= -0.379 K(o=-0.38,f=-1.5) USER MOD Single : A 44 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 57 SER OG : rot 80:sc= 1.22 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -107:sc= 1.32 (180deg=0.223) USER MOD Single : A 77 LYS NZ :NH3+ 172:sc=-0.000569 (180deg=-0.0995) USER MOD Single : A 79 SER OG : rot -86:sc= 1.2 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0.0792 X(o=0.079,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.873 F(o=-1.6,f=-0.87) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 103 LYS NZ :NH3+ 169:sc= -0.0249 (180deg=-0.148) USER MOD Single : A 104 HIS : no HE2:sc= 0.421 K(o=0.42,f=-2.3!) USER MOD Single : A 105 GLN : amide:sc= -0.4 X(o=-0.4,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -165:sc= -0.0168 (180deg=-0.193) USER MOD Single : A 107 SER OG : rot -28:sc= 0.0793 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.537 16.795 8.541 1.00 0.00 N ATOM 2 CA LYS A 1 2.552 15.645 9.479 1.00 0.00 C ATOM 3 C LYS A 1 2.733 14.321 8.740 1.00 0.00 C ATOM 4 O LYS A 1 3.656 13.561 9.032 1.00 0.00 O ATOM 5 CB LYS A 1 1.280 15.618 10.333 1.00 0.00 C ATOM 6 CG LYS A 1 1.226 14.479 11.339 1.00 0.00 C ATOM 7 CD LYS A 1 0.058 14.637 12.296 1.00 0.00 C ATOM 8 CE LYS A 1 -1.275 14.552 11.571 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.418 14.815 12.484 1.00 0.00 N ATOM 0 H1 LYS A 1 2.412 17.678 9.076 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.436 16.830 8.020 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.752 16.684 7.868 1.00 0.00 H new ATOM 0 HA LYS A 1 3.408 15.775 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.195 16.564 10.868 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.415 15.546 9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 1 1.139 13.529 10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 1 2.158 14.446 11.903 1.00 0.00 H new ATOM 0 HD2 LYS A 1 0.107 13.862 13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 1 0.134 15.596 12.808 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.290 15.272 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -1.385 13.563 11.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.309 14.748 11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.418 14.113 13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.327 15.769 12.888 1.00 0.00 H new ATOM 25 N VAL A 2 1.857 14.049 7.778 1.00 0.00 N ATOM 26 CA VAL A 2 1.931 12.808 7.007 1.00 0.00 C ATOM 27 C VAL A 2 3.022 12.883 5.942 1.00 0.00 C ATOM 28 O VAL A 2 3.335 11.888 5.288 1.00 0.00 O ATOM 29 CB VAL A 2 0.582 12.462 6.344 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.461 12.137 7.402 1.00 0.00 C ATOM 31 CG2 VAL A 2 0.106 13.595 5.445 1.00 0.00 C ATOM 0 H VAL A 2 1.090 14.667 7.513 1.00 0.00 H new ATOM 0 HA VAL A 2 2.179 12.016 7.714 1.00 0.00 H new ATOM 0 HB VAL A 2 0.727 11.581 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.407 11.895 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.127 11.284 7.992 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.598 12.999 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.847 13.323 4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.019 14.501 6.037 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.843 13.773 4.662 1.00 0.00 H new ATOM 41 N LYS A 3 3.619 14.066 5.814 1.00 0.00 N ATOM 42 CA LYS A 3 4.674 14.317 4.833 1.00 0.00 C ATOM 43 C LYS A 3 4.177 14.092 3.403 1.00 0.00 C ATOM 44 O LYS A 3 2.995 13.831 3.182 1.00 0.00 O ATOM 45 CB LYS A 3 5.903 13.451 5.132 1.00 0.00 C ATOM 46 CG LYS A 3 6.625 13.818 6.418 1.00 0.00 C ATOM 47 CD LYS A 3 7.416 12.642 6.977 1.00 0.00 C ATOM 48 CE LYS A 3 6.565 11.779 7.902 1.00 0.00 C ATOM 49 NZ LYS A 3 7.385 10.781 8.641 1.00 0.00 N ATOM 0 H LYS A 3 3.386 14.877 6.387 1.00 0.00 H new ATOM 0 HA LYS A 3 4.964 15.365 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.594 12.407 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.602 13.532 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.299 14.654 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.900 14.154 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.792 12.033 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.284 13.013 7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.041 12.417 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.804 11.262 7.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.827 9.916 8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.235 10.552 8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.667 11.176 9.561 1.00 0.00 H new ATOM 63 N PHE A 4 5.088 14.216 2.438 1.00 0.00 N ATOM 64 CA PHE A 4 4.768 14.025 1.019 1.00 0.00 C ATOM 65 C PHE A 4 3.734 15.036 0.522 1.00 0.00 C ATOM 66 O PHE A 4 3.213 15.843 1.292 1.00 0.00 O ATOM 67 CB PHE A 4 4.281 12.596 0.752 1.00 0.00 C ATOM 68 CG PHE A 4 4.739 12.018 -0.557 1.00 0.00 C ATOM 69 CD1 PHE A 4 6.060 11.646 -0.739 1.00 0.00 C ATOM 70 CD2 PHE A 4 3.848 11.840 -1.602 1.00 0.00 C ATOM 71 CE1 PHE A 4 6.484 11.106 -1.939 1.00 0.00 C ATOM 72 CE2 PHE A 4 4.265 11.303 -2.806 1.00 0.00 C ATOM 73 CZ PHE A 4 5.585 10.935 -2.974 1.00 0.00 C ATOM 0 H PHE A 4 6.065 14.451 2.614 1.00 0.00 H new ATOM 0 HA PHE A 4 5.690 14.192 0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.625 11.951 1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.191 12.586 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.768 11.779 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.814 12.124 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.517 10.818 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.560 11.172 -3.613 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.914 10.514 -3.913 1.00 0.00 H new ATOM 83 N THR A 5 3.460 14.988 -0.773 1.00 0.00 N ATOM 84 CA THR A 5 2.496 15.874 -1.414 1.00 0.00 C ATOM 85 C THR A 5 2.583 15.704 -2.929 1.00 0.00 C ATOM 86 O THR A 5 3.409 14.927 -3.418 1.00 0.00 O ATOM 87 CB THR A 5 2.707 17.367 -1.029 1.00 0.00 C ATOM 88 OG1 THR A 5 1.621 18.162 -1.524 1.00 0.00 O ATOM 89 CG2 THR A 5 4.020 17.906 -1.585 1.00 0.00 C ATOM 0 H THR A 5 3.902 14.329 -1.414 1.00 0.00 H new ATOM 0 HA THR A 5 1.504 15.595 -1.060 1.00 0.00 H new ATOM 0 HB THR A 5 2.743 17.425 0.059 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.762 19.099 -1.275 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.135 18.951 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.851 17.325 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.014 17.828 -2.672 1.00 0.00 H new ATOM 97 N GLU A 6 1.744 16.430 -3.654 1.00 0.00 N ATOM 98 CA GLU A 6 1.713 16.371 -5.111 1.00 0.00 C ATOM 99 C GLU A 6 3.075 16.742 -5.702 1.00 0.00 C ATOM 100 O GLU A 6 3.523 16.143 -6.675 1.00 0.00 O ATOM 101 CB GLU A 6 0.637 17.315 -5.646 1.00 0.00 C ATOM 102 CG GLU A 6 -0.749 17.053 -5.074 1.00 0.00 C ATOM 103 CD GLU A 6 -1.710 18.191 -5.341 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.248 18.265 -6.465 1.00 0.00 O ATOM 105 OE2 GLU A 6 -1.931 19.014 -4.427 1.00 0.00 O ATOM 0 H GLU A 6 1.066 17.076 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 6 1.478 15.349 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.924 18.342 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.595 17.225 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.149 16.135 -5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.671 16.893 -3.999 1.00 0.00 H new ATOM 112 N GLU A 7 3.730 17.725 -5.096 1.00 0.00 N ATOM 113 CA GLU A 7 5.040 18.172 -5.557 1.00 0.00 C ATOM 114 C GLU A 7 6.080 17.060 -5.417 1.00 0.00 C ATOM 115 O GLU A 7 6.902 16.852 -6.309 1.00 0.00 O ATOM 116 CB GLU A 7 5.492 19.416 -4.792 1.00 0.00 C ATOM 117 CG GLU A 7 4.400 20.456 -4.601 1.00 0.00 C ATOM 118 CD GLU A 7 4.953 21.841 -4.342 1.00 0.00 C ATOM 119 OE1 GLU A 7 5.867 21.976 -3.508 1.00 0.00 O ATOM 120 OE2 GLU A 7 4.483 22.796 -4.992 1.00 0.00 O ATOM 0 H GLU A 7 3.375 18.229 -4.283 1.00 0.00 H new ATOM 0 HA GLU A 7 4.949 18.428 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.865 19.113 -3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.326 19.874 -5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.768 20.481 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.764 20.161 -3.766 1.00 0.00 H new ATOM 127 N GLU A 8 6.024 16.332 -4.304 1.00 0.00 N ATOM 128 CA GLU A 8 6.963 15.246 -4.055 1.00 0.00 C ATOM 129 C GLU A 8 6.752 14.114 -5.050 1.00 0.00 C ATOM 130 O GLU A 8 7.710 13.478 -5.488 1.00 0.00 O ATOM 131 CB GLU A 8 6.835 14.728 -2.622 1.00 0.00 C ATOM 132 CG GLU A 8 6.937 15.808 -1.556 1.00 0.00 C ATOM 133 CD GLU A 8 8.049 16.802 -1.821 1.00 0.00 C ATOM 134 OE1 GLU A 8 9.210 16.512 -1.471 1.00 0.00 O ATOM 135 OE2 GLU A 8 7.765 17.883 -2.377 1.00 0.00 O ATOM 0 H GLU A 8 5.339 16.476 -3.562 1.00 0.00 H new ATOM 0 HA GLU A 8 7.971 15.638 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.877 14.218 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.613 13.985 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.988 16.341 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.101 15.338 -0.586 1.00 0.00 H new ATOM 142 N ASP A 9 5.493 13.877 -5.400 1.00 0.00 N ATOM 143 CA ASP A 9 5.136 12.841 -6.364 1.00 0.00 C ATOM 144 C ASP A 9 5.772 13.155 -7.715 1.00 0.00 C ATOM 145 O ASP A 9 6.383 12.293 -8.353 1.00 0.00 O ATOM 146 CB ASP A 9 3.608 12.746 -6.485 1.00 0.00 C ATOM 147 CG ASP A 9 3.142 11.928 -7.674 1.00 0.00 C ATOM 148 OD1 ASP A 9 3.474 10.727 -7.740 1.00 0.00 O ATOM 149 OD2 ASP A 9 2.427 12.495 -8.534 1.00 0.00 O ATOM 0 H ASP A 9 4.696 14.393 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 9 5.513 11.877 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.206 12.306 -5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.195 13.752 -6.562 1.00 0.00 H new ATOM 154 N LEU A 10 5.669 14.418 -8.121 1.00 0.00 N ATOM 155 CA LEU A 10 6.251 14.869 -9.377 1.00 0.00 C ATOM 156 C LEU A 10 7.768 14.699 -9.348 1.00 0.00 C ATOM 157 O LEU A 10 8.385 14.337 -10.354 1.00 0.00 O ATOM 158 CB LEU A 10 5.892 16.332 -9.637 1.00 0.00 C ATOM 159 CG LEU A 10 4.409 16.636 -9.855 1.00 0.00 C ATOM 160 CD1 LEU A 10 4.181 18.135 -9.950 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.894 15.935 -11.101 1.00 0.00 C ATOM 0 H LEU A 10 5.186 15.147 -7.595 1.00 0.00 H new ATOM 0 HA LEU A 10 5.844 14.261 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.243 16.926 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.443 16.669 -10.515 1.00 0.00 H new ATOM 0 HG LEU A 10 3.852 16.258 -8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.120 18.333 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.508 18.612 -9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.751 18.537 -10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.837 16.165 -11.237 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.455 16.279 -11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.020 14.858 -10.991 1.00 0.00 H new ATOM 173 N LYS A 11 8.369 14.992 -8.197 1.00 0.00 N ATOM 174 CA LYS A 11 9.808 14.849 -8.021 1.00 0.00 C ATOM 175 C LYS A 11 10.202 13.380 -8.094 1.00 0.00 C ATOM 176 O LYS A 11 11.242 13.033 -8.657 1.00 0.00 O ATOM 177 CB LYS A 11 10.246 15.429 -6.674 1.00 0.00 C ATOM 178 CG LYS A 11 10.033 16.926 -6.540 1.00 0.00 C ATOM 179 CD LYS A 11 10.182 17.374 -5.095 1.00 0.00 C ATOM 180 CE LYS A 11 9.703 18.803 -4.909 1.00 0.00 C ATOM 181 NZ LYS A 11 9.704 19.209 -3.481 1.00 0.00 N ATOM 0 H LYS A 11 7.877 15.331 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 11 10.306 15.397 -8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.699 14.923 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.303 15.209 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.753 17.456 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.040 17.189 -6.905 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.612 16.710 -4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.227 17.296 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.344 19.477 -5.478 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.696 18.903 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.926 20.222 -3.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.766 19.030 -3.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.420 18.660 -2.964 1.00 0.00 H new ATOM 195 N LEU A 12 9.357 12.525 -7.531 1.00 0.00 N ATOM 196 CA LEU A 12 9.587 11.091 -7.516 1.00 0.00 C ATOM 197 C LEU A 12 9.708 10.551 -8.935 1.00 0.00 C ATOM 198 O LEU A 12 10.679 9.875 -9.265 1.00 0.00 O ATOM 199 CB LEU A 12 8.453 10.381 -6.774 1.00 0.00 C ATOM 200 CG LEU A 12 8.649 8.892 -6.485 1.00 0.00 C ATOM 201 CD1 LEU A 12 9.788 8.682 -5.500 1.00 0.00 C ATOM 202 CD2 LEU A 12 7.360 8.282 -5.954 1.00 0.00 C ATOM 0 H LEU A 12 8.492 12.810 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 12 10.524 10.898 -6.994 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.293 10.894 -5.825 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.539 10.497 -7.357 1.00 0.00 H new ATOM 0 HG LEU A 12 8.910 8.391 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.911 7.616 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.710 9.084 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.560 9.195 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.515 7.222 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.071 8.788 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.570 8.399 -6.696 1.00 0.00 H new ATOM 214 N GLN A 13 8.727 10.875 -9.774 1.00 0.00 N ATOM 215 CA GLN A 13 8.712 10.433 -11.171 1.00 0.00 C ATOM 216 C GLN A 13 10.003 10.825 -11.896 1.00 0.00 C ATOM 217 O GLN A 13 10.490 10.096 -12.762 1.00 0.00 O ATOM 218 CB GLN A 13 7.489 11.014 -11.894 1.00 0.00 C ATOM 219 CG GLN A 13 7.419 10.730 -13.389 1.00 0.00 C ATOM 220 CD GLN A 13 7.283 9.254 -13.720 1.00 0.00 C ATOM 221 OE1 GLN A 13 6.177 8.716 -13.789 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.407 8.589 -13.940 1.00 0.00 N ATOM 0 H GLN A 13 7.925 11.447 -9.510 1.00 0.00 H new ATOM 0 HA GLN A 13 8.647 9.345 -11.181 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.588 10.619 -11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.479 12.094 -11.745 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.572 11.269 -13.814 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.317 11.120 -13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.305 9.069 -13.874 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.375 7.597 -14.176 1.00 0.00 H new ATOM 231 N GLN A 14 10.558 11.971 -11.523 1.00 0.00 N ATOM 232 CA GLN A 14 11.786 12.462 -12.132 1.00 0.00 C ATOM 233 C GLN A 14 13.021 11.809 -11.518 1.00 0.00 C ATOM 234 O GLN A 14 13.958 11.441 -12.228 1.00 0.00 O ATOM 235 CB GLN A 14 11.872 13.985 -12.007 1.00 0.00 C ATOM 236 CG GLN A 14 10.737 14.724 -12.694 1.00 0.00 C ATOM 237 CD GLN A 14 10.847 14.710 -14.208 1.00 0.00 C ATOM 238 OE1 GLN A 14 11.395 13.778 -14.801 1.00 0.00 O ATOM 239 NE2 GLN A 14 10.327 15.747 -14.844 1.00 0.00 N ATOM 0 H GLN A 14 10.175 12.579 -10.799 1.00 0.00 H new ATOM 0 HA GLN A 14 11.760 12.193 -13.188 1.00 0.00 H new ATOM 0 HB2 GLN A 14 11.880 14.253 -10.951 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.819 14.321 -12.429 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.788 14.274 -12.401 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.721 15.757 -12.346 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.882 16.498 -14.316 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.371 15.795 -15.862 1.00 0.00 H new ATOM 248 N LEU A 15 13.022 11.664 -10.198 1.00 0.00 N ATOM 249 CA LEU A 15 14.147 11.056 -9.494 1.00 0.00 C ATOM 250 C LEU A 15 14.298 9.581 -9.848 1.00 0.00 C ATOM 251 O LEU A 15 15.410 9.102 -10.069 1.00 0.00 O ATOM 252 CB LEU A 15 14.032 11.251 -7.980 1.00 0.00 C ATOM 253 CG LEU A 15 14.899 12.366 -7.380 1.00 0.00 C ATOM 254 CD1 LEU A 15 14.527 13.720 -7.967 1.00 0.00 C ATOM 255 CD2 LEU A 15 14.777 12.384 -5.865 1.00 0.00 C ATOM 0 H LEU A 15 12.256 11.959 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 15 15.050 11.568 -9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.990 11.458 -7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.292 10.312 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 15 15.938 12.162 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.156 14.493 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 15 14.678 13.702 -9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.481 13.936 -7.750 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.399 13.182 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.738 12.557 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.106 11.426 -5.462 1.00 0.00 H new ATOM 267 N VAL A 16 13.179 8.868 -9.921 1.00 0.00 N ATOM 268 CA VAL A 16 13.199 7.452 -10.272 1.00 0.00 C ATOM 269 C VAL A 16 13.696 7.286 -11.706 1.00 0.00 C ATOM 270 O VAL A 16 14.371 6.319 -12.040 1.00 0.00 O ATOM 271 CB VAL A 16 11.804 6.799 -10.120 1.00 0.00 C ATOM 272 CG1 VAL A 16 11.829 5.341 -10.563 1.00 0.00 C ATOM 273 CG2 VAL A 16 11.322 6.899 -8.683 1.00 0.00 C ATOM 0 H VAL A 16 12.249 9.246 -9.742 1.00 0.00 H new ATOM 0 HA VAL A 16 13.876 6.947 -9.583 1.00 0.00 H new ATOM 0 HB VAL A 16 11.111 7.341 -10.763 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.836 4.908 -10.445 1.00 0.00 H new ATOM 0 HG12 VAL A 16 12.128 5.284 -11.610 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.541 4.787 -9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.340 6.435 -8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.025 6.386 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 16 11.254 7.948 -8.394 1.00 0.00 H new ATOM 283 N MET A 17 13.365 8.252 -12.542 1.00 0.00 N ATOM 284 CA MET A 17 13.791 8.231 -13.935 1.00 0.00 C ATOM 285 C MET A 17 15.304 8.432 -14.032 1.00 0.00 C ATOM 286 O MET A 17 15.972 7.837 -14.878 1.00 0.00 O ATOM 287 CB MET A 17 13.067 9.323 -14.722 1.00 0.00 C ATOM 288 CG MET A 17 13.306 9.277 -16.222 1.00 0.00 C ATOM 289 SD MET A 17 12.601 10.697 -17.077 1.00 0.00 S ATOM 290 CE MET A 17 12.716 10.150 -18.777 1.00 0.00 C ATOM 0 H MET A 17 12.802 9.063 -12.284 1.00 0.00 H new ATOM 0 HA MET A 17 13.539 7.260 -14.361 1.00 0.00 H new ATOM 0 HB2 MET A 17 11.996 9.241 -14.534 1.00 0.00 H new ATOM 0 HB3 MET A 17 13.383 10.296 -14.345 1.00 0.00 H new ATOM 0 HG2 MET A 17 14.378 9.237 -16.415 1.00 0.00 H new ATOM 0 HG3 MET A 17 12.874 8.362 -16.627 1.00 0.00 H new ATOM 0 HE1 MET A 17 12.318 10.922 -19.435 1.00 0.00 H new ATOM 0 HE2 MET A 17 13.760 9.961 -19.029 1.00 0.00 H new ATOM 0 HE3 MET A 17 12.141 9.233 -18.904 1.00 0.00 H new ATOM 300 N ARG A 18 15.838 9.268 -13.152 1.00 0.00 N ATOM 301 CA ARG A 18 17.264 9.569 -13.134 1.00 0.00 C ATOM 302 C ARG A 18 18.095 8.490 -12.436 1.00 0.00 C ATOM 303 O ARG A 18 19.117 8.050 -12.963 1.00 0.00 O ATOM 304 CB ARG A 18 17.506 10.919 -12.458 1.00 0.00 C ATOM 305 CG ARG A 18 17.082 12.121 -13.291 1.00 0.00 C ATOM 306 CD ARG A 18 16.982 13.377 -12.438 1.00 0.00 C ATOM 307 NE ARG A 18 18.190 13.605 -11.643 1.00 0.00 N ATOM 308 CZ ARG A 18 18.252 14.418 -10.587 1.00 0.00 C ATOM 309 NH1 ARG A 18 17.180 15.099 -10.203 1.00 0.00 N ATOM 310 NH2 ARG A 18 19.388 14.553 -9.920 1.00 0.00 N ATOM 0 H ARG A 18 15.300 9.754 -12.435 1.00 0.00 H new ATOM 0 HA ARG A 18 17.589 9.603 -14.174 1.00 0.00 H new ATOM 0 HB2 ARG A 18 16.967 10.940 -11.511 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.567 11.010 -12.223 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.801 12.281 -14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.119 11.920 -13.760 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.806 14.238 -13.082 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.122 13.295 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 18 19.040 13.110 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 18 16.304 15.002 -10.716 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.232 15.719 -9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.216 14.035 -10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.435 15.175 -9.113 1.00 0.00 H new ATOM 324 N TYR A 19 17.660 8.057 -11.262 1.00 0.00 N ATOM 325 CA TYR A 19 18.406 7.066 -10.492 1.00 0.00 C ATOM 326 C TYR A 19 18.028 5.625 -10.813 1.00 0.00 C ATOM 327 O TYR A 19 18.864 4.727 -10.728 1.00 0.00 O ATOM 328 CB TYR A 19 18.283 7.341 -8.993 1.00 0.00 C ATOM 329 CG TYR A 19 18.948 8.631 -8.572 1.00 0.00 C ATOM 330 CD1 TYR A 19 20.331 8.754 -8.587 1.00 0.00 C ATOM 331 CD2 TYR A 19 18.195 9.728 -8.172 1.00 0.00 C ATOM 332 CE1 TYR A 19 20.945 9.932 -8.211 1.00 0.00 C ATOM 333 CE2 TYR A 19 18.803 10.911 -7.799 1.00 0.00 C ATOM 334 CZ TYR A 19 20.179 11.008 -7.820 1.00 0.00 C ATOM 335 OH TYR A 19 20.791 12.183 -7.449 1.00 0.00 O ATOM 0 H TYR A 19 16.797 8.374 -10.820 1.00 0.00 H new ATOM 0 HA TYR A 19 19.448 7.174 -10.793 1.00 0.00 H new ATOM 0 HB2 TYR A 19 17.228 7.377 -8.721 1.00 0.00 H new ATOM 0 HB3 TYR A 19 18.726 6.513 -8.440 1.00 0.00 H new ATOM 0 HD1 TYR A 19 20.936 7.915 -8.898 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.118 9.655 -8.152 1.00 0.00 H new ATOM 0 HE1 TYR A 19 22.022 10.010 -8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 19 18.204 11.756 -7.492 1.00 0.00 H new ATOM 0 HH TYR A 19 20.110 12.843 -7.202 1.00 0.00 H new ATOM 345 N GLY A 20 16.783 5.399 -11.178 1.00 0.00 N ATOM 346 CA GLY A 20 16.339 4.057 -11.489 1.00 0.00 C ATOM 347 C GLY A 20 15.349 3.540 -10.467 1.00 0.00 C ATOM 348 O GLY A 20 14.997 4.246 -9.521 1.00 0.00 O ATOM 0 H GLY A 20 16.067 6.120 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.880 4.046 -12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.200 3.390 -11.530 1.00 0.00 H new ATOM 352 N ALA A 21 14.919 2.302 -10.641 1.00 0.00 N ATOM 353 CA ALA A 21 13.953 1.697 -9.736 1.00 0.00 C ATOM 354 C ALA A 21 14.627 0.828 -8.680 1.00 0.00 C ATOM 355 O ALA A 21 14.045 -0.144 -8.201 1.00 0.00 O ATOM 356 CB ALA A 21 12.937 0.886 -10.525 1.00 0.00 C ATOM 0 H ALA A 21 15.223 1.694 -11.402 1.00 0.00 H new ATOM 0 HA ALA A 21 13.440 2.503 -9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.218 0.437 -9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.413 1.539 -11.223 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.450 0.100 -11.079 1.00 0.00 H new ATOM 362 N LYS A 22 15.849 1.182 -8.299 1.00 0.00 N ATOM 363 CA LYS A 22 16.571 0.410 -7.291 1.00 0.00 C ATOM 364 C LYS A 22 17.311 1.313 -6.315 1.00 0.00 C ATOM 365 O LYS A 22 17.374 1.024 -5.120 1.00 0.00 O ATOM 366 CB LYS A 22 17.540 -0.586 -7.928 1.00 0.00 C ATOM 367 CG LYS A 22 17.709 -1.865 -7.121 1.00 0.00 C ATOM 368 CD LYS A 22 19.019 -2.568 -7.441 1.00 0.00 C ATOM 369 CE LYS A 22 19.097 -3.921 -6.750 1.00 0.00 C ATOM 370 NZ LYS A 22 20.490 -4.436 -6.668 1.00 0.00 N ATOM 0 H LYS A 22 16.356 1.987 -8.666 1.00 0.00 H new ATOM 0 HA LYS A 22 15.822 -0.153 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.184 -0.840 -8.927 1.00 0.00 H new ATOM 0 HB3 LYS A 22 18.513 -0.109 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.673 -1.630 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.876 -2.537 -7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 22 19.110 -2.701 -8.519 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.856 -1.946 -7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.684 -3.837 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.479 -4.638 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.491 -5.359 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.878 -4.543 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 21.076 -3.767 -6.130 1.00 0.00 H new ATOM 384 N ASP A 23 17.858 2.410 -6.818 1.00 0.00 N ATOM 385 CA ASP A 23 18.600 3.345 -5.979 1.00 0.00 C ATOM 386 C ASP A 23 17.657 4.296 -5.251 1.00 0.00 C ATOM 387 O ASP A 23 17.727 5.515 -5.417 1.00 0.00 O ATOM 388 CB ASP A 23 19.629 4.132 -6.797 1.00 0.00 C ATOM 389 CG ASP A 23 20.769 4.673 -5.949 1.00 0.00 C ATOM 390 OD1 ASP A 23 20.505 5.267 -4.886 1.00 0.00 O ATOM 391 OD2 ASP A 23 21.941 4.511 -6.348 1.00 0.00 O ATOM 0 H ASP A 23 17.803 2.676 -7.801 1.00 0.00 H new ATOM 0 HA ASP A 23 19.138 2.759 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.036 3.488 -7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 23 19.130 4.961 -7.298 1.00 0.00 H new ATOM 396 N TRP A 24 16.758 3.731 -4.452 1.00 0.00 N ATOM 397 CA TRP A 24 15.807 4.519 -3.683 1.00 0.00 C ATOM 398 C TRP A 24 16.504 5.205 -2.517 1.00 0.00 C ATOM 399 O TRP A 24 15.969 6.136 -1.911 1.00 0.00 O ATOM 400 CB TRP A 24 14.677 3.621 -3.168 1.00 0.00 C ATOM 401 CG TRP A 24 13.860 2.999 -4.262 1.00 0.00 C ATOM 402 CD1 TRP A 24 14.052 1.777 -4.842 1.00 0.00 C ATOM 403 CD2 TRP A 24 12.720 3.573 -4.911 1.00 0.00 C ATOM 404 NE1 TRP A 24 13.109 1.561 -5.818 1.00 0.00 N ATOM 405 CE2 TRP A 24 12.278 2.648 -5.877 1.00 0.00 C ATOM 406 CE3 TRP A 24 12.031 4.781 -4.770 1.00 0.00 C ATOM 407 CZ2 TRP A 24 11.182 2.892 -6.697 1.00 0.00 C ATOM 408 CZ3 TRP A 24 10.942 5.019 -5.583 1.00 0.00 C ATOM 409 CH2 TRP A 24 10.527 4.080 -6.534 1.00 0.00 C ATOM 0 H TRP A 24 16.670 2.723 -4.321 1.00 0.00 H new ATOM 0 HA TRP A 24 15.383 5.285 -4.332 1.00 0.00 H new ATOM 0 HB2 TRP A 24 15.104 2.831 -2.551 1.00 0.00 H new ATOM 0 HB3 TRP A 24 14.021 4.208 -2.525 1.00 0.00 H new ATOM 0 HD1 TRP A 24 14.833 1.081 -4.572 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.039 0.728 -6.402 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.344 5.513 -4.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.861 2.171 -7.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 10.400 5.948 -5.484 1.00 0.00 H new ATOM 0 HH2 TRP A 24 9.670 4.299 -7.153 1.00 0.00 H new ATOM 420 N ILE A 25 17.713 4.746 -2.216 1.00 0.00 N ATOM 421 CA ILE A 25 18.501 5.308 -1.131 1.00 0.00 C ATOM 422 C ILE A 25 18.958 6.723 -1.473 1.00 0.00 C ATOM 423 O ILE A 25 19.079 7.580 -0.598 1.00 0.00 O ATOM 424 CB ILE A 25 19.707 4.421 -0.754 1.00 0.00 C ATOM 425 CG1 ILE A 25 20.450 3.944 -2.008 1.00 0.00 C ATOM 426 CG2 ILE A 25 19.247 3.238 0.087 1.00 0.00 C ATOM 427 CD1 ILE A 25 21.707 3.151 -1.719 1.00 0.00 C ATOM 0 H ILE A 25 18.169 3.981 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 25 17.852 5.349 -0.256 1.00 0.00 H new ATOM 0 HB ILE A 25 20.402 5.017 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 25 19.776 3.330 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.712 4.811 -2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.107 2.620 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.773 3.602 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 25 18.531 2.644 -0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 25 22.172 2.851 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 25 22.403 3.767 -1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 25 21.452 2.263 -1.141 1.00 0.00 H new ATOM 439 N ARG A 26 19.198 6.976 -2.757 1.00 0.00 N ATOM 440 CA ARG A 26 19.610 8.299 -3.202 1.00 0.00 C ATOM 441 C ARG A 26 18.466 9.291 -3.031 1.00 0.00 C ATOM 442 O ARG A 26 18.686 10.486 -2.840 1.00 0.00 O ATOM 443 CB ARG A 26 20.074 8.273 -4.655 1.00 0.00 C ATOM 444 CG ARG A 26 21.422 8.938 -4.885 1.00 0.00 C ATOM 445 CD ARG A 26 22.512 8.311 -4.029 1.00 0.00 C ATOM 446 NE ARG A 26 22.626 6.872 -4.248 1.00 0.00 N ATOM 447 CZ ARG A 26 23.653 6.134 -3.834 1.00 0.00 C ATOM 448 NH1 ARG A 26 24.654 6.692 -3.160 1.00 0.00 N ATOM 449 NH2 ARG A 26 23.676 4.837 -4.100 1.00 0.00 N ATOM 0 H ARG A 26 19.114 6.285 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 26 20.451 8.616 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.129 7.237 -4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 26 19.326 8.768 -5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 26 21.693 8.856 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 26 21.347 10.001 -4.657 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.466 8.788 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 26 22.300 8.501 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 26 21.872 6.403 -4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 26 24.638 7.692 -2.957 1.00 0.00 H new ATOM 0 HH12 ARG A 26 25.438 6.121 -2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 26 22.909 4.409 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 26 24.460 4.266 -3.786 1.00 0.00 H new ATOM 463 N ILE A 27 17.242 8.782 -3.073 1.00 0.00 N ATOM 464 CA ILE A 27 16.061 9.614 -2.910 1.00 0.00 C ATOM 465 C ILE A 27 15.845 9.899 -1.423 1.00 0.00 C ATOM 466 O ILE A 27 15.203 10.882 -1.041 1.00 0.00 O ATOM 467 CB ILE A 27 14.814 8.920 -3.506 1.00 0.00 C ATOM 468 CG1 ILE A 27 15.095 8.500 -4.954 1.00 0.00 C ATOM 469 CG2 ILE A 27 13.601 9.836 -3.445 1.00 0.00 C ATOM 470 CD1 ILE A 27 13.992 7.678 -5.584 1.00 0.00 C ATOM 0 H ILE A 27 17.042 7.792 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 27 16.213 10.552 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 27 14.594 8.032 -2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 27 15.256 9.395 -5.556 1.00 0.00 H new ATOM 0 HG13 ILE A 27 16.022 7.927 -4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.737 9.325 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.394 10.097 -2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.802 10.744 -4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 27 14.268 7.422 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.845 6.764 -5.008 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.067 8.255 -5.591 1.00 0.00 H new ATOM 482 N SER A 28 16.445 9.057 -0.584 1.00 0.00 N ATOM 483 CA SER A 28 16.338 9.207 0.862 1.00 0.00 C ATOM 484 C SER A 28 17.146 10.416 1.326 1.00 0.00 C ATOM 485 O SER A 28 17.020 10.873 2.461 1.00 0.00 O ATOM 486 CB SER A 28 16.816 7.937 1.570 1.00 0.00 C ATOM 487 OG SER A 28 16.283 6.774 0.953 1.00 0.00 O ATOM 0 H SER A 28 17.011 8.263 -0.883 1.00 0.00 H new ATOM 0 HA SER A 28 15.291 9.368 1.120 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.905 7.895 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 28 16.516 7.966 2.617 1.00 0.00 H new ATOM 0 HG SER A 28 16.499 5.987 1.496 1.00 0.00 H new ATOM 493 N GLN A 29 17.968 10.944 0.425 1.00 0.00 N ATOM 494 CA GLN A 29 18.786 12.108 0.725 1.00 0.00 C ATOM 495 C GLN A 29 17.918 13.362 0.782 1.00 0.00 C ATOM 496 O GLN A 29 18.262 14.341 1.445 1.00 0.00 O ATOM 497 CB GLN A 29 19.907 12.254 -0.303 1.00 0.00 C ATOM 498 CG GLN A 29 20.869 11.077 -0.309 1.00 0.00 C ATOM 499 CD GLN A 29 21.944 11.170 -1.377 1.00 0.00 C ATOM 500 OE1 GLN A 29 21.606 11.733 -2.527 1.00 0.00 O flip ATOM 501 NE2 GLN A 29 23.071 10.719 -1.172 1.00 0.00 N flip ATOM 0 H GLN A 29 18.084 10.581 -0.521 1.00 0.00 H new ATOM 0 HA GLN A 29 19.248 11.972 1.703 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.470 12.363 -1.295 1.00 0.00 H new ATOM 0 HB3 GLN A 29 20.463 13.169 -0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 29 21.346 11.005 0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 29 20.303 10.157 -0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 29 23.294 10.292 -0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 29 23.782 10.772 -1.901 1.00 0.00 H new ATOM 510 N LEU A 30 16.779 13.315 0.100 1.00 0.00 N ATOM 511 CA LEU A 30 15.846 14.433 0.090 1.00 0.00 C ATOM 512 C LEU A 30 14.692 14.102 1.027 1.00 0.00 C ATOM 513 O LEU A 30 14.171 14.961 1.738 1.00 0.00 O ATOM 514 CB LEU A 30 15.323 14.692 -1.327 1.00 0.00 C ATOM 515 CG LEU A 30 16.377 15.067 -2.376 1.00 0.00 C ATOM 516 CD1 LEU A 30 15.720 15.334 -3.721 1.00 0.00 C ATOM 517 CD2 LEU A 30 17.185 16.273 -1.923 1.00 0.00 C ATOM 0 H LEU A 30 16.480 12.512 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 30 16.354 15.337 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.801 13.798 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.586 15.493 -1.280 1.00 0.00 H new ATOM 0 HG LEU A 30 17.060 14.225 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.483 15.599 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.194 14.439 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.011 16.156 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.926 16.521 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.519 17.123 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 30 17.690 16.041 -0.985 1.00 0.00 H new ATOM 529 N MET A 31 14.303 12.835 1.013 1.00 0.00 N ATOM 530 CA MET A 31 13.247 12.339 1.881 1.00 0.00 C ATOM 531 C MET A 31 13.845 11.315 2.831 1.00 0.00 C ATOM 532 O MET A 31 13.890 10.125 2.531 1.00 0.00 O ATOM 533 CB MET A 31 12.108 11.714 1.071 1.00 0.00 C ATOM 534 CG MET A 31 11.093 12.720 0.545 1.00 0.00 C ATOM 535 SD MET A 31 9.613 11.925 -0.113 1.00 0.00 S ATOM 536 CE MET A 31 10.274 11.145 -1.588 1.00 0.00 C ATOM 0 H MET A 31 14.709 12.126 0.402 1.00 0.00 H new ATOM 0 HA MET A 31 12.825 13.172 2.444 1.00 0.00 H new ATOM 0 HB2 MET A 31 12.533 11.169 0.228 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.591 10.985 1.695 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.810 13.400 1.348 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.555 13.324 -0.236 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.599 11.320 -2.426 1.00 0.00 H new ATOM 0 HE2 MET A 31 11.252 11.568 -1.816 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.373 10.073 -1.419 1.00 0.00 H new ATOM 546 N ILE A 32 14.299 11.782 3.982 1.00 0.00 N ATOM 547 CA ILE A 32 14.931 10.907 4.960 1.00 0.00 C ATOM 548 C ILE A 32 13.940 10.523 6.055 1.00 0.00 C ATOM 549 O ILE A 32 14.091 9.508 6.733 1.00 0.00 O ATOM 550 CB ILE A 32 16.188 11.568 5.576 1.00 0.00 C ATOM 551 CG1 ILE A 32 16.976 10.574 6.436 1.00 0.00 C ATOM 552 CG2 ILE A 32 15.822 12.811 6.373 1.00 0.00 C ATOM 553 CD1 ILE A 32 17.612 9.451 5.645 1.00 0.00 C ATOM 0 H ILE A 32 14.243 12.761 4.264 1.00 0.00 H new ATOM 0 HA ILE A 32 15.248 10.002 4.442 1.00 0.00 H new ATOM 0 HB ILE A 32 16.833 11.878 4.753 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.755 11.113 6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.308 10.146 7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.725 13.253 6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.336 13.533 5.717 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.142 12.539 7.180 1.00 0.00 H new ATOM 0 HD11 ILE A 32 18.152 8.789 6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 32 16.837 8.886 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 32 18.306 9.868 4.915 1.00 0.00 H new ATOM 565 N THR A 33 12.898 11.330 6.187 1.00 0.00 N ATOM 566 CA THR A 33 11.869 11.112 7.184 1.00 0.00 C ATOM 567 C THR A 33 10.774 10.194 6.651 1.00 0.00 C ATOM 568 O THR A 33 9.698 10.096 7.233 1.00 0.00 O ATOM 569 CB THR A 33 11.247 12.461 7.568 1.00 0.00 C ATOM 570 OG1 THR A 33 11.246 13.310 6.409 1.00 0.00 O ATOM 571 CG2 THR A 33 12.061 13.124 8.665 1.00 0.00 C ATOM 0 H THR A 33 12.745 12.153 5.605 1.00 0.00 H new ATOM 0 HA THR A 33 12.326 10.639 8.054 1.00 0.00 H new ATOM 0 HB THR A 33 10.231 12.301 7.929 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.849 14.176 6.638 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.608 14.080 8.927 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.081 12.479 9.543 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.079 13.290 8.313 1.00 0.00 H new ATOM 579 N ARG A 34 11.053 9.533 5.540 1.00 0.00 N ATOM 580 CA ARG A 34 10.102 8.625 4.923 1.00 0.00 C ATOM 581 C ARG A 34 10.788 7.327 4.549 1.00 0.00 C ATOM 582 O ARG A 34 11.930 7.344 4.097 1.00 0.00 O ATOM 583 CB ARG A 34 9.506 9.278 3.672 1.00 0.00 C ATOM 584 CG ARG A 34 8.882 8.309 2.676 1.00 0.00 C ATOM 585 CD ARG A 34 8.073 9.044 1.621 1.00 0.00 C ATOM 586 NE ARG A 34 6.775 9.462 2.138 1.00 0.00 N ATOM 587 CZ ARG A 34 6.524 10.664 2.647 1.00 0.00 C ATOM 588 NH1 ARG A 34 7.448 11.617 2.593 1.00 0.00 N ATOM 589 NH2 ARG A 34 5.333 10.915 3.172 1.00 0.00 N ATOM 0 H ARG A 34 11.940 9.610 5.043 1.00 0.00 H new ATOM 0 HA ARG A 34 9.304 8.409 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.747 9.996 3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.290 9.841 3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.666 7.725 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.239 7.605 3.205 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.628 9.917 1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.930 8.398 0.755 1.00 0.00 H new ATOM 0 HE ARG A 34 6.010 8.788 2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.352 11.427 2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.253 12.539 2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.617 10.188 3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.132 11.835 3.565 1.00 0.00 H new ATOM 603 N ASN A 35 10.103 6.211 4.762 1.00 0.00 N ATOM 604 CA ASN A 35 10.635 4.897 4.429 1.00 0.00 C ATOM 605 C ASN A 35 10.873 4.809 2.918 1.00 0.00 C ATOM 606 O ASN A 35 9.921 4.840 2.133 1.00 0.00 O ATOM 607 CB ASN A 35 9.626 3.825 4.882 1.00 0.00 C ATOM 608 CG ASN A 35 10.228 2.439 5.037 1.00 0.00 C ATOM 609 OD1 ASN A 35 11.064 2.024 4.237 1.00 0.00 O ATOM 610 ND2 ASN A 35 9.795 1.700 6.061 1.00 0.00 N ATOM 0 H ASN A 35 9.168 6.191 5.168 1.00 0.00 H new ATOM 0 HA ASN A 35 11.585 4.733 4.938 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.190 4.129 5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.812 3.778 4.159 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.159 0.757 6.200 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.100 2.078 6.705 1.00 0.00 H new ATOM 617 N PRO A 36 12.149 4.702 2.491 1.00 0.00 N ATOM 618 CA PRO A 36 12.523 4.629 1.069 1.00 0.00 C ATOM 619 C PRO A 36 11.823 3.488 0.351 1.00 0.00 C ATOM 620 O PRO A 36 11.429 3.605 -0.809 1.00 0.00 O ATOM 621 CB PRO A 36 14.039 4.383 1.095 1.00 0.00 C ATOM 622 CG PRO A 36 14.348 3.955 2.489 1.00 0.00 C ATOM 623 CD PRO A 36 13.331 4.631 3.363 1.00 0.00 C ATOM 0 HA PRO A 36 12.237 5.534 0.533 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.325 3.615 0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.588 5.287 0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.288 2.871 2.587 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.360 4.245 2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.132 4.059 4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.662 5.621 3.678 1.00 0.00 H new ATOM 631 N ARG A 37 11.665 2.383 1.055 1.00 0.00 N ATOM 632 CA ARG A 37 11.014 1.208 0.502 1.00 0.00 C ATOM 633 C ARG A 37 9.539 1.483 0.243 1.00 0.00 C ATOM 634 O ARG A 37 8.940 0.906 -0.665 1.00 0.00 O ATOM 635 CB ARG A 37 11.159 0.047 1.475 1.00 0.00 C ATOM 636 CG ARG A 37 10.935 -1.323 0.863 1.00 0.00 C ATOM 637 CD ARG A 37 10.553 -2.324 1.934 1.00 0.00 C ATOM 638 NE ARG A 37 11.274 -2.092 3.185 1.00 0.00 N ATOM 639 CZ ARG A 37 10.698 -1.657 4.306 1.00 0.00 C ATOM 640 NH1 ARG A 37 9.405 -1.356 4.307 1.00 0.00 N ATOM 641 NH2 ARG A 37 11.416 -1.501 5.413 1.00 0.00 N ATOM 0 H ARG A 37 11.981 2.273 2.019 1.00 0.00 H new ATOM 0 HA ARG A 37 11.488 0.955 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.158 0.077 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.452 0.185 2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.148 -1.268 0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.840 -1.653 0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.480 -2.266 2.118 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.761 -3.333 1.578 1.00 0.00 H new ATOM 0 HE ARG A 37 12.278 -2.274 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.857 -1.458 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.960 -1.023 5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.413 -1.714 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.970 -1.168 6.268 1.00 0.00 H new ATOM 655 N GLN A 38 8.969 2.394 1.025 1.00 0.00 N ATOM 656 CA GLN A 38 7.566 2.747 0.876 1.00 0.00 C ATOM 657 C GLN A 38 7.389 3.735 -0.261 1.00 0.00 C ATOM 658 O GLN A 38 6.280 3.940 -0.758 1.00 0.00 O ATOM 659 CB GLN A 38 6.966 3.271 2.179 1.00 0.00 C ATOM 660 CG GLN A 38 6.789 2.203 3.247 1.00 0.00 C ATOM 661 CD GLN A 38 6.580 0.810 2.674 1.00 0.00 C ATOM 662 OE1 GLN A 38 7.538 0.060 2.471 1.00 0.00 O ATOM 663 NE2 GLN A 38 5.338 0.441 2.428 1.00 0.00 N ATOM 0 H GLN A 38 9.457 2.898 1.765 1.00 0.00 H new ATOM 0 HA GLN A 38 7.016 1.839 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.607 4.061 2.571 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.997 3.723 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.667 2.195 3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.936 2.463 3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.569 1.087 2.608 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.146 -0.490 2.058 1.00 0.00 H new ATOM 672 N CYS A 39 8.496 4.355 -0.667 1.00 0.00 N ATOM 673 CA CYS A 39 8.475 5.277 -1.786 1.00 0.00 C ATOM 674 C CYS A 39 8.242 4.458 -3.050 1.00 0.00 C ATOM 675 O CYS A 39 7.632 4.922 -4.012 1.00 0.00 O ATOM 676 CB CYS A 39 9.794 6.050 -1.878 1.00 0.00 C ATOM 677 SG CYS A 39 10.285 6.887 -0.348 1.00 0.00 S ATOM 0 H CYS A 39 9.412 4.232 -0.236 1.00 0.00 H new ATOM 0 HA CYS A 39 7.680 6.012 -1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.585 5.359 -2.169 1.00 0.00 H new ATOM 0 HB3 CYS A 39 9.711 6.792 -2.672 1.00 0.00 H new ATOM 0 HG CYS A 39 10.121 6.082 0.659 1.00 0.00 H new ATOM 683 N ARG A 40 8.729 3.218 -3.015 1.00 0.00 N ATOM 684 CA ARG A 40 8.541 2.285 -4.113 1.00 0.00 C ATOM 685 C ARG A 40 7.075 1.887 -4.140 1.00 0.00 C ATOM 686 O ARG A 40 6.476 1.712 -5.201 1.00 0.00 O ATOM 687 CB ARG A 40 9.429 1.047 -3.928 1.00 0.00 C ATOM 688 CG ARG A 40 8.949 -0.190 -4.680 1.00 0.00 C ATOM 689 CD ARG A 40 10.103 -1.093 -5.080 1.00 0.00 C ATOM 690 NE ARG A 40 10.593 -1.928 -3.981 1.00 0.00 N ATOM 691 CZ ARG A 40 11.866 -2.313 -3.852 1.00 0.00 C ATOM 692 NH1 ARG A 40 12.766 -1.950 -4.764 1.00 0.00 N ATOM 693 NH2 ARG A 40 12.232 -3.080 -2.833 1.00 0.00 N ATOM 0 H ARG A 40 9.259 2.839 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 40 8.823 2.753 -5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.440 1.288 -4.257 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.487 0.812 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.252 -0.747 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.402 0.117 -5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.785 -1.735 -5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.923 -0.479 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 40 9.924 -2.233 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.483 -1.379 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.738 -2.243 -4.666 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.541 -3.378 -2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.205 -3.372 -2.738 1.00 0.00 H new ATOM 707 N GLU A 41 6.496 1.794 -2.946 1.00 0.00 N ATOM 708 CA GLU A 41 5.099 1.440 -2.784 1.00 0.00 C ATOM 709 C GLU A 41 4.215 2.579 -3.297 1.00 0.00 C ATOM 710 O GLU A 41 3.013 2.417 -3.467 1.00 0.00 O ATOM 711 CB GLU A 41 4.801 1.142 -1.313 1.00 0.00 C ATOM 712 CG GLU A 41 3.410 0.587 -1.051 1.00 0.00 C ATOM 713 CD GLU A 41 2.724 1.272 0.113 1.00 0.00 C ATOM 714 OE1 GLU A 41 2.298 2.444 -0.050 1.00 0.00 O ATOM 715 OE2 GLU A 41 2.613 0.650 1.192 1.00 0.00 O ATOM 0 H GLU A 41 6.986 1.963 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 41 4.883 0.543 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.538 0.429 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.927 2.059 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.801 0.703 -1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.480 -0.482 -0.850 1.00 0.00 H new ATOM 722 N ARG A 42 4.823 3.737 -3.531 1.00 0.00 N ATOM 723 CA ARG A 42 4.097 4.885 -4.047 1.00 0.00 C ATOM 724 C ARG A 42 4.251 4.958 -5.556 1.00 0.00 C ATOM 725 O ARG A 42 3.265 4.991 -6.287 1.00 0.00 O ATOM 726 CB ARG A 42 4.590 6.185 -3.406 1.00 0.00 C ATOM 727 CG ARG A 42 3.656 7.367 -3.621 1.00 0.00 C ATOM 728 CD ARG A 42 2.541 7.398 -2.585 1.00 0.00 C ATOM 729 NE ARG A 42 1.494 6.396 -2.824 1.00 0.00 N ATOM 730 CZ ARG A 42 1.439 5.199 -2.222 1.00 0.00 C ATOM 731 NH1 ARG A 42 2.354 4.862 -1.312 1.00 0.00 N ATOM 732 NH2 ARG A 42 0.447 4.359 -2.495 1.00 0.00 N ATOM 0 H ARG A 42 5.817 3.903 -3.371 1.00 0.00 H new ATOM 0 HA ARG A 42 3.043 4.763 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.719 6.025 -2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.571 6.430 -3.812 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.226 8.295 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.223 7.312 -4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.970 7.236 -1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.089 8.390 -2.578 1.00 0.00 H new ATOM 0 HE ARG A 42 0.759 6.626 -3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.099 5.516 -1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.309 3.951 -0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.276 4.624 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.408 3.449 -2.035 1.00 0.00 H new ATOM 746 N TRP A 43 5.496 4.956 -6.015 1.00 0.00 N ATOM 747 CA TRP A 43 5.793 5.015 -7.442 1.00 0.00 C ATOM 748 C TRP A 43 5.100 3.879 -8.192 1.00 0.00 C ATOM 749 O TRP A 43 4.494 4.088 -9.242 1.00 0.00 O ATOM 750 CB TRP A 43 7.317 4.978 -7.665 1.00 0.00 C ATOM 751 CG TRP A 43 7.775 4.180 -8.857 1.00 0.00 C ATOM 752 CD1 TRP A 43 8.134 2.860 -8.871 1.00 0.00 C ATOM 753 CD2 TRP A 43 7.937 4.647 -10.204 1.00 0.00 C ATOM 754 NE1 TRP A 43 8.494 2.478 -10.136 1.00 0.00 N ATOM 755 CE2 TRP A 43 8.385 3.556 -10.974 1.00 0.00 C ATOM 756 CE3 TRP A 43 7.744 5.878 -10.832 1.00 0.00 C ATOM 757 CZ2 TRP A 43 8.643 3.661 -12.339 1.00 0.00 C ATOM 758 CZ3 TRP A 43 8.000 5.980 -12.186 1.00 0.00 C ATOM 759 CH2 TRP A 43 8.443 4.879 -12.925 1.00 0.00 C ATOM 0 H TRP A 43 6.321 4.914 -5.417 1.00 0.00 H new ATOM 0 HA TRP A 43 5.407 5.954 -7.840 1.00 0.00 H new ATOM 0 HB2 TRP A 43 7.676 6.001 -7.774 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.788 4.568 -6.772 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.134 2.211 -8.007 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.795 1.542 -10.410 1.00 0.00 H new ATOM 0 HE3 TRP A 43 7.401 6.735 -10.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.988 2.813 -12.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.855 6.928 -12.683 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.631 4.994 -13.982 1.00 0.00 H new ATOM 770 N ASN A 44 5.143 2.691 -7.605 1.00 0.00 N ATOM 771 CA ASN A 44 4.560 1.507 -8.217 1.00 0.00 C ATOM 772 C ASN A 44 3.049 1.412 -7.993 1.00 0.00 C ATOM 773 O ASN A 44 2.394 0.536 -8.551 1.00 0.00 O ATOM 774 CB ASN A 44 5.270 0.251 -7.697 1.00 0.00 C ATOM 775 CG ASN A 44 4.937 -1.004 -8.482 1.00 0.00 C ATOM 776 OD1 ASN A 44 5.395 -1.188 -9.611 1.00 0.00 O ATOM 777 ND2 ASN A 44 4.162 -1.888 -7.880 1.00 0.00 N ATOM 0 H ASN A 44 5.579 2.522 -6.699 1.00 0.00 H new ATOM 0 HA ASN A 44 4.707 1.587 -9.294 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.347 0.414 -7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.001 0.098 -6.652 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.923 -2.761 -8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.803 -1.698 -6.944 1.00 0.00 H new ATOM 784 N ASN A 45 2.483 2.316 -7.196 1.00 0.00 N ATOM 785 CA ASN A 45 1.045 2.284 -6.925 1.00 0.00 C ATOM 786 C ASN A 45 0.351 3.578 -7.308 1.00 0.00 C ATOM 787 O ASN A 45 -0.822 3.763 -6.989 1.00 0.00 O ATOM 788 CB ASN A 45 0.784 2.041 -5.440 1.00 0.00 C ATOM 789 CG ASN A 45 0.702 0.581 -5.067 1.00 0.00 C ATOM 790 OD1 ASN A 45 -0.124 -0.163 -5.589 1.00 0.00 O ATOM 791 ND2 ASN A 45 1.542 0.171 -4.135 1.00 0.00 N ATOM 0 H ASN A 45 2.989 3.070 -6.732 1.00 0.00 H new ATOM 0 HA ASN A 45 0.643 1.472 -7.532 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.578 2.511 -4.859 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.148 2.531 -5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 45 1.521 -0.799 -3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.212 0.824 -3.729 1.00 0.00 H new ATOM 798 N TYR A 46 1.047 4.490 -7.976 1.00 0.00 N ATOM 799 CA TYR A 46 0.433 5.758 -8.339 1.00 0.00 C ATOM 800 C TYR A 46 0.727 6.165 -9.780 1.00 0.00 C ATOM 801 O TYR A 46 -0.190 6.423 -10.556 1.00 0.00 O ATOM 802 CB TYR A 46 0.889 6.860 -7.372 1.00 0.00 C ATOM 803 CG TYR A 46 -0.025 8.064 -7.324 1.00 0.00 C ATOM 804 CD1 TYR A 46 -1.303 7.967 -6.790 1.00 0.00 C ATOM 805 CD2 TYR A 46 0.389 9.299 -7.809 1.00 0.00 C ATOM 806 CE1 TYR A 46 -2.142 9.062 -6.741 1.00 0.00 C ATOM 807 CE2 TYR A 46 -0.443 10.402 -7.763 1.00 0.00 C ATOM 808 CZ TYR A 46 -1.707 10.278 -7.228 1.00 0.00 C ATOM 809 OH TYR A 46 -2.544 11.372 -7.182 1.00 0.00 O ATOM 0 H TYR A 46 2.017 4.378 -8.272 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.646 5.624 -8.262 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.968 6.438 -6.370 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.888 7.188 -7.659 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.647 7.018 -6.406 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.379 9.399 -8.229 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.134 8.968 -6.324 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.105 11.354 -8.144 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.086 12.150 -7.563 1.00 0.00 H new ATOM 819 N ILE A 47 2.004 6.193 -10.141 1.00 0.00 N ATOM 820 CA ILE A 47 2.396 6.606 -11.487 1.00 0.00 C ATOM 821 C ILE A 47 2.770 5.429 -12.385 1.00 0.00 C ATOM 822 O ILE A 47 2.872 5.581 -13.602 1.00 0.00 O ATOM 823 CB ILE A 47 3.531 7.653 -11.469 1.00 0.00 C ATOM 824 CG1 ILE A 47 4.484 7.404 -10.293 1.00 0.00 C ATOM 825 CG2 ILE A 47 2.953 9.061 -11.419 1.00 0.00 C ATOM 826 CD1 ILE A 47 5.575 8.445 -10.147 1.00 0.00 C ATOM 0 H ILE A 47 2.780 5.938 -9.530 1.00 0.00 H new ATOM 0 HA ILE A 47 1.510 7.073 -11.916 1.00 0.00 H new ATOM 0 HB ILE A 47 4.107 7.555 -12.389 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.904 7.370 -9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.946 6.424 -10.415 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.765 9.788 -11.407 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.329 9.229 -12.296 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.351 9.175 -10.518 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.204 8.195 -9.293 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.182 8.465 -11.052 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.124 9.425 -9.991 1.00 0.00 H new ATOM 838 N ASN A 48 2.984 4.266 -11.787 1.00 0.00 N ATOM 839 CA ASN A 48 3.341 3.070 -12.548 1.00 0.00 C ATOM 840 C ASN A 48 2.118 2.370 -13.162 1.00 0.00 C ATOM 841 O ASN A 48 2.064 2.172 -14.377 1.00 0.00 O ATOM 842 CB ASN A 48 4.189 2.103 -11.713 1.00 0.00 C ATOM 843 CG ASN A 48 4.542 0.828 -12.452 1.00 0.00 C ATOM 844 OD1 ASN A 48 5.508 0.781 -13.211 1.00 0.00 O ATOM 845 ND2 ASN A 48 3.772 -0.225 -12.218 1.00 0.00 N ATOM 0 H ASN A 48 2.918 4.122 -10.779 1.00 0.00 H new ATOM 0 HA ASN A 48 3.953 3.407 -13.385 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.107 2.605 -11.409 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.648 1.849 -10.802 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.972 -1.115 -12.675 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.979 -0.146 -11.581 1.00 0.00 H new ATOM 852 N PRO A 49 1.109 1.981 -12.348 1.00 0.00 N ATOM 853 CA PRO A 49 -0.078 1.303 -12.854 1.00 0.00 C ATOM 854 C PRO A 49 -1.208 2.283 -13.167 1.00 0.00 C ATOM 855 O PRO A 49 -1.018 3.500 -13.139 1.00 0.00 O ATOM 856 CB PRO A 49 -0.464 0.428 -11.665 1.00 0.00 C ATOM 857 CG PRO A 49 -0.104 1.251 -10.471 1.00 0.00 C ATOM 858 CD PRO A 49 1.030 2.161 -10.885 1.00 0.00 C ATOM 0 HA PRO A 49 0.102 0.765 -13.785 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.527 0.187 -11.677 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.077 -0.518 -11.674 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.961 1.833 -10.132 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.197 0.613 -9.640 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.827 3.199 -10.620 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.964 1.884 -10.397 1.00 0.00 H new ATOM 866 N ALA A 50 -2.382 1.742 -13.466 1.00 0.00 N ATOM 867 CA ALA A 50 -3.544 2.561 -13.775 1.00 0.00 C ATOM 868 C ALA A 50 -4.738 2.138 -12.926 1.00 0.00 C ATOM 869 O ALA A 50 -5.728 1.611 -13.436 1.00 0.00 O ATOM 870 CB ALA A 50 -3.877 2.482 -15.258 1.00 0.00 C ATOM 0 H ALA A 50 -2.554 0.737 -13.501 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.308 3.598 -13.536 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.749 3.101 -15.469 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.028 2.840 -15.841 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.093 1.448 -15.528 1.00 0.00 H new ATOM 876 N LEU A 51 -4.624 2.352 -11.619 1.00 0.00 N ATOM 877 CA LEU A 51 -5.683 2.002 -10.677 1.00 0.00 C ATOM 878 C LEU A 51 -6.829 3.012 -10.732 1.00 0.00 C ATOM 879 O LEU A 51 -7.009 3.828 -9.827 1.00 0.00 O ATOM 880 CB LEU A 51 -5.126 1.879 -9.247 1.00 0.00 C ATOM 881 CG LEU A 51 -4.432 3.117 -8.652 1.00 0.00 C ATOM 882 CD1 LEU A 51 -4.434 3.054 -7.132 1.00 0.00 C ATOM 883 CD2 LEU A 51 -3.010 3.250 -9.174 1.00 0.00 C ATOM 0 H LEU A 51 -3.801 2.770 -11.185 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.082 1.031 -10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.948 1.603 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.415 1.053 -9.232 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.993 3.998 -8.965 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.939 3.938 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.462 3.018 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.903 2.160 -6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.543 4.133 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.437 2.364 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.029 3.349 -10.259 1.00 0.00 H new ATOM 895 N ARG A 52 -7.609 2.939 -11.796 1.00 0.00 N ATOM 896 CA ARG A 52 -8.722 3.855 -11.990 1.00 0.00 C ATOM 897 C ARG A 52 -9.955 3.118 -12.499 1.00 0.00 C ATOM 898 O ARG A 52 -10.045 1.898 -12.372 1.00 0.00 O ATOM 899 CB ARG A 52 -8.328 4.975 -12.964 1.00 0.00 C ATOM 900 CG ARG A 52 -7.270 5.927 -12.424 1.00 0.00 C ATOM 901 CD ARG A 52 -6.798 6.901 -13.488 1.00 0.00 C ATOM 902 NE ARG A 52 -7.784 7.946 -13.758 1.00 0.00 N ATOM 903 CZ ARG A 52 -7.855 8.623 -14.904 1.00 0.00 C ATOM 904 NH1 ARG A 52 -7.042 8.318 -15.909 1.00 0.00 N ATOM 905 NH2 ARG A 52 -8.748 9.594 -15.048 1.00 0.00 N ATOM 0 H ARG A 52 -7.493 2.253 -12.542 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.968 4.299 -11.025 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.960 4.526 -13.887 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.219 5.548 -13.221 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.676 6.481 -11.578 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.421 5.354 -12.052 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.863 7.360 -13.168 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.587 6.357 -14.408 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.458 8.170 -13.026 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.362 7.565 -15.804 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.098 8.837 -16.785 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.381 9.823 -14.281 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.802 10.112 -15.925 1.00 0.00 H new ATOM 919 N THR A 53 -10.853 3.874 -13.133 1.00 0.00 N ATOM 920 CA THR A 53 -12.114 3.361 -13.675 1.00 0.00 C ATOM 921 C THR A 53 -12.785 2.299 -12.798 1.00 0.00 C ATOM 922 O THR A 53 -13.032 1.178 -13.250 1.00 0.00 O ATOM 923 CB THR A 53 -11.953 2.846 -15.119 1.00 0.00 C ATOM 924 OG1 THR A 53 -10.695 2.169 -15.256 1.00 0.00 O ATOM 925 CG2 THR A 53 -12.008 4.007 -16.102 1.00 0.00 C ATOM 0 H THR A 53 -10.724 4.874 -13.287 1.00 0.00 H new ATOM 0 HA THR A 53 -12.783 4.221 -13.682 1.00 0.00 H new ATOM 0 HB THR A 53 -12.767 2.154 -15.335 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.598 1.842 -16.175 1.00 0.00 H new ATOM 0 HG21 THR A 53 -11.893 3.629 -17.118 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.967 4.516 -16.011 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.203 4.708 -15.882 1.00 0.00 H new ATOM 933 N ASP A 54 -13.059 2.662 -11.540 1.00 0.00 N ATOM 934 CA ASP A 54 -13.721 1.767 -10.580 1.00 0.00 C ATOM 935 C ASP A 54 -12.849 0.566 -10.194 1.00 0.00 C ATOM 936 O ASP A 54 -11.839 0.293 -10.839 1.00 0.00 O ATOM 937 CB ASP A 54 -15.085 1.308 -11.118 1.00 0.00 C ATOM 938 CG ASP A 54 -16.246 1.906 -10.351 1.00 0.00 C ATOM 939 OD1 ASP A 54 -16.274 3.142 -10.175 1.00 0.00 O ATOM 940 OD2 ASP A 54 -17.135 1.142 -9.923 1.00 0.00 O ATOM 0 H ASP A 54 -12.830 3.580 -11.158 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.880 2.341 -9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.168 1.584 -12.169 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.143 0.221 -11.069 1.00 0.00 H new ATOM 945 N PRO A 55 -13.200 -0.146 -9.103 1.00 0.00 N ATOM 946 CA PRO A 55 -12.451 -1.328 -8.658 1.00 0.00 C ATOM 947 C PRO A 55 -12.639 -2.522 -9.600 1.00 0.00 C ATOM 948 O PRO A 55 -13.024 -2.365 -10.758 1.00 0.00 O ATOM 949 CB PRO A 55 -13.058 -1.636 -7.287 1.00 0.00 C ATOM 950 CG PRO A 55 -14.433 -1.073 -7.351 1.00 0.00 C ATOM 951 CD PRO A 55 -14.327 0.161 -8.198 1.00 0.00 C ATOM 0 HA PRO A 55 -11.377 -1.145 -8.635 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.077 -2.709 -7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.479 -1.178 -6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -15.129 -1.789 -7.788 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.805 -0.833 -6.355 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -15.247 0.350 -8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.129 1.047 -7.595 1.00 0.00 H new ATOM 959 N TRP A 56 -12.391 -3.722 -9.091 1.00 0.00 N ATOM 960 CA TRP A 56 -12.520 -4.925 -9.901 1.00 0.00 C ATOM 961 C TRP A 56 -13.978 -5.358 -10.007 1.00 0.00 C ATOM 962 O TRP A 56 -14.837 -4.877 -9.264 1.00 0.00 O ATOM 963 CB TRP A 56 -11.642 -6.076 -9.387 1.00 0.00 C ATOM 964 CG TRP A 56 -10.888 -5.788 -8.123 1.00 0.00 C ATOM 965 CD1 TRP A 56 -9.756 -5.037 -7.994 1.00 0.00 C ATOM 966 CD2 TRP A 56 -11.199 -6.272 -6.811 1.00 0.00 C ATOM 967 NE1 TRP A 56 -9.351 -5.013 -6.681 1.00 0.00 N ATOM 968 CE2 TRP A 56 -10.218 -5.768 -5.937 1.00 0.00 C ATOM 969 CE3 TRP A 56 -12.213 -7.082 -6.294 1.00 0.00 C ATOM 970 CZ2 TRP A 56 -10.223 -6.046 -4.573 1.00 0.00 C ATOM 971 CZ3 TRP A 56 -12.215 -7.358 -4.941 1.00 0.00 C ATOM 972 CH2 TRP A 56 -11.226 -6.840 -4.095 1.00 0.00 C ATOM 0 H TRP A 56 -12.101 -3.887 -8.127 1.00 0.00 H new ATOM 0 HA TRP A 56 -12.160 -4.674 -10.899 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -12.274 -6.949 -9.223 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -10.927 -6.342 -10.165 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -9.252 -4.534 -8.806 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -8.538 -4.514 -6.320 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -12.980 -7.484 -6.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -9.462 -5.649 -3.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -12.992 -7.984 -4.528 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -11.257 -7.074 -3.041 1.00 0.00 H new ATOM 983 N SER A 57 -14.246 -6.269 -10.925 1.00 0.00 N ATOM 984 CA SER A 57 -15.595 -6.758 -11.154 1.00 0.00 C ATOM 985 C SER A 57 -15.902 -7.964 -10.266 1.00 0.00 C ATOM 986 O SER A 57 -14.985 -8.614 -9.764 1.00 0.00 O ATOM 987 CB SER A 57 -15.747 -7.144 -12.625 1.00 0.00 C ATOM 988 OG SER A 57 -14.660 -6.660 -13.399 1.00 0.00 O ATOM 0 H SER A 57 -13.540 -6.689 -11.530 1.00 0.00 H new ATOM 0 HA SER A 57 -16.301 -5.966 -10.902 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.806 -8.229 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.682 -6.741 -13.014 1.00 0.00 H new ATOM 0 HG SER A 57 -13.890 -7.256 -13.290 1.00 0.00 H new ATOM 994 N PRO A 58 -17.199 -8.275 -10.061 1.00 0.00 N ATOM 995 CA PRO A 58 -17.634 -9.416 -9.240 1.00 0.00 C ATOM 996 C PRO A 58 -17.006 -10.738 -9.682 1.00 0.00 C ATOM 997 O PRO A 58 -16.805 -11.640 -8.869 1.00 0.00 O ATOM 998 CB PRO A 58 -19.151 -9.452 -9.458 1.00 0.00 C ATOM 999 CG PRO A 58 -19.511 -8.051 -9.801 1.00 0.00 C ATOM 1000 CD PRO A 58 -18.352 -7.516 -10.592 1.00 0.00 C ATOM 0 HA PRO A 58 -17.336 -9.297 -8.198 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.421 -10.139 -10.260 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -19.673 -9.788 -8.562 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.432 -8.015 -10.383 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.678 -7.458 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -18.484 -7.681 -11.661 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.228 -6.443 -10.448 1.00 0.00 H new ATOM 1008 N GLU A 59 -16.678 -10.848 -10.967 1.00 0.00 N ATOM 1009 CA GLU A 59 -16.066 -12.063 -11.491 1.00 0.00 C ATOM 1010 C GLU A 59 -14.663 -12.212 -10.922 1.00 0.00 C ATOM 1011 O GLU A 59 -14.235 -13.307 -10.551 1.00 0.00 O ATOM 1012 CB GLU A 59 -15.998 -12.025 -13.019 1.00 0.00 C ATOM 1013 CG GLU A 59 -17.303 -11.646 -13.694 1.00 0.00 C ATOM 1014 CD GLU A 59 -17.370 -10.171 -14.027 1.00 0.00 C ATOM 1015 OE1 GLU A 59 -17.768 -9.376 -13.154 1.00 0.00 O ATOM 1016 OE2 GLU A 59 -17.016 -9.798 -15.165 1.00 0.00 O ATOM 0 H GLU A 59 -16.825 -10.114 -11.660 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.678 -12.914 -11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.228 -11.314 -13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -15.686 -13.005 -13.381 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.419 -12.228 -14.608 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.136 -11.907 -13.042 1.00 0.00 H new ATOM 1023 N GLU A 60 -13.961 -11.088 -10.830 1.00 0.00 N ATOM 1024 CA GLU A 60 -12.613 -11.073 -10.292 1.00 0.00 C ATOM 1025 C GLU A 60 -12.670 -11.211 -8.778 1.00 0.00 C ATOM 1026 O GLU A 60 -11.814 -11.842 -8.175 1.00 0.00 O ATOM 1027 CB GLU A 60 -11.885 -9.787 -10.689 1.00 0.00 C ATOM 1028 CG GLU A 60 -11.615 -9.678 -12.181 1.00 0.00 C ATOM 1029 CD GLU A 60 -11.448 -8.246 -12.644 1.00 0.00 C ATOM 1030 OE1 GLU A 60 -12.390 -7.449 -12.458 1.00 0.00 O ATOM 1031 OE2 GLU A 60 -10.384 -7.911 -13.203 1.00 0.00 O ATOM 0 H GLU A 60 -14.308 -10.175 -11.123 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.056 -11.913 -10.707 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.479 -8.930 -10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.938 -9.734 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.714 -10.241 -12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.437 -10.139 -12.729 1.00 0.00 H new ATOM 1038 N ASP A 61 -13.705 -10.629 -8.183 1.00 0.00 N ATOM 1039 CA ASP A 61 -13.910 -10.694 -6.735 1.00 0.00 C ATOM 1040 C ASP A 61 -14.106 -12.137 -6.282 1.00 0.00 C ATOM 1041 O ASP A 61 -13.532 -12.574 -5.281 1.00 0.00 O ATOM 1042 CB ASP A 61 -15.107 -9.818 -6.326 1.00 0.00 C ATOM 1043 CG ASP A 61 -15.938 -10.386 -5.183 1.00 0.00 C ATOM 1044 OD1 ASP A 61 -15.590 -10.153 -4.006 1.00 0.00 O ATOM 1045 OD2 ASP A 61 -16.956 -11.049 -5.463 1.00 0.00 O ATOM 0 H ASP A 61 -14.422 -10.102 -8.683 1.00 0.00 H new ATOM 0 HA ASP A 61 -13.019 -10.308 -6.240 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.740 -8.833 -6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.752 -9.677 -7.193 1.00 0.00 H new ATOM 1050 N MET A 62 -14.886 -12.886 -7.052 1.00 0.00 N ATOM 1051 CA MET A 62 -15.159 -14.281 -6.737 1.00 0.00 C ATOM 1052 C MET A 62 -13.920 -15.137 -6.977 1.00 0.00 C ATOM 1053 O MET A 62 -13.624 -16.053 -6.209 1.00 0.00 O ATOM 1054 CB MET A 62 -16.335 -14.810 -7.561 1.00 0.00 C ATOM 1055 CG MET A 62 -17.684 -14.257 -7.139 1.00 0.00 C ATOM 1056 SD MET A 62 -19.063 -15.066 -7.969 1.00 0.00 S ATOM 1057 CE MET A 62 -20.450 -14.238 -7.192 1.00 0.00 C ATOM 0 H MET A 62 -15.341 -12.549 -7.900 1.00 0.00 H new ATOM 0 HA MET A 62 -15.427 -14.340 -5.682 1.00 0.00 H new ATOM 0 HB2 MET A 62 -16.167 -14.569 -8.611 1.00 0.00 H new ATOM 0 HB3 MET A 62 -16.359 -15.897 -7.484 1.00 0.00 H new ATOM 0 HG2 MET A 62 -17.797 -14.372 -6.061 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.715 -13.188 -7.351 1.00 0.00 H new ATOM 0 HE1 MET A 62 -21.382 -14.629 -7.600 1.00 0.00 H new ATOM 0 HE2 MET A 62 -20.423 -14.414 -6.117 1.00 0.00 H new ATOM 0 HE3 MET A 62 -20.390 -13.167 -7.386 1.00 0.00 H new ATOM 1067 N LEU A 63 -13.194 -14.833 -8.045 1.00 0.00 N ATOM 1068 CA LEU A 63 -11.979 -15.567 -8.372 1.00 0.00 C ATOM 1069 C LEU A 63 -10.890 -15.252 -7.353 1.00 0.00 C ATOM 1070 O LEU A 63 -10.115 -16.126 -6.957 1.00 0.00 O ATOM 1071 CB LEU A 63 -11.504 -15.221 -9.786 1.00 0.00 C ATOM 1072 CG LEU A 63 -10.204 -15.882 -10.252 1.00 0.00 C ATOM 1073 CD1 LEU A 63 -10.332 -17.399 -10.259 1.00 0.00 C ATOM 1074 CD2 LEU A 63 -9.809 -15.370 -11.630 1.00 0.00 C ATOM 0 H LEU A 63 -13.425 -14.085 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.196 -16.635 -8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.294 -15.491 -10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.378 -14.140 -9.849 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.418 -15.616 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.394 -17.842 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.560 -17.750 -9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.134 -17.693 -10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.883 -15.851 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.599 -15.601 -12.344 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.662 -14.291 -11.589 1.00 0.00 H new ATOM 1086 N LEU A 64 -10.849 -13.993 -6.931 1.00 0.00 N ATOM 1087 CA LEU A 64 -9.877 -13.537 -5.951 1.00 0.00 C ATOM 1088 C LEU A 64 -10.054 -14.282 -4.640 1.00 0.00 C ATOM 1089 O LEU A 64 -9.080 -14.691 -4.026 1.00 0.00 O ATOM 1090 CB LEU A 64 -9.990 -12.025 -5.726 1.00 0.00 C ATOM 1091 CG LEU A 64 -9.124 -11.432 -4.610 1.00 0.00 C ATOM 1092 CD1 LEU A 64 -7.661 -11.784 -4.813 1.00 0.00 C ATOM 1093 CD2 LEU A 64 -9.304 -9.924 -4.539 1.00 0.00 C ATOM 0 H LEU A 64 -11.485 -13.266 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.881 -13.748 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.736 -11.522 -6.659 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.032 -11.789 -5.510 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.449 -11.865 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.068 -11.351 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.543 -12.868 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.320 -11.386 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.681 -9.520 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.011 -9.477 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.349 -9.692 -4.336 1.00 0.00 H new ATOM 1105 N ASP A 65 -11.304 -14.472 -4.229 1.00 0.00 N ATOM 1106 CA ASP A 65 -11.606 -15.183 -2.990 1.00 0.00 C ATOM 1107 C ASP A 65 -10.956 -16.565 -2.986 1.00 0.00 C ATOM 1108 O ASP A 65 -10.401 -17.002 -1.978 1.00 0.00 O ATOM 1109 CB ASP A 65 -13.119 -15.309 -2.801 1.00 0.00 C ATOM 1110 CG ASP A 65 -13.498 -16.084 -1.556 1.00 0.00 C ATOM 1111 OD1 ASP A 65 -13.264 -15.580 -0.434 1.00 0.00 O ATOM 1112 OD2 ASP A 65 -14.041 -17.202 -1.691 1.00 0.00 O ATOM 0 H ASP A 65 -12.126 -14.143 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.196 -14.608 -2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.557 -14.312 -2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.549 -15.801 -3.673 1.00 0.00 H new ATOM 1117 N GLN A 66 -10.998 -17.229 -4.137 1.00 0.00 N ATOM 1118 CA GLN A 66 -10.409 -18.553 -4.277 1.00 0.00 C ATOM 1119 C GLN A 66 -8.886 -18.475 -4.240 1.00 0.00 C ATOM 1120 O GLN A 66 -8.238 -19.196 -3.482 1.00 0.00 O ATOM 1121 CB GLN A 66 -10.855 -19.195 -5.590 1.00 0.00 C ATOM 1122 CG GLN A 66 -10.245 -20.565 -5.845 1.00 0.00 C ATOM 1123 CD GLN A 66 -10.232 -20.930 -7.315 1.00 0.00 C ATOM 1124 OE1 GLN A 66 -9.266 -20.650 -8.030 1.00 0.00 O ATOM 1125 NE2 GLN A 66 -11.302 -21.557 -7.777 1.00 0.00 N ATOM 0 H GLN A 66 -11.435 -16.870 -4.986 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.750 -19.164 -3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.941 -19.287 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.593 -18.532 -6.415 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.225 -20.582 -5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -10.807 -21.318 -5.292 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.079 -21.769 -7.151 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.350 -21.828 -8.759 1.00 0.00 H new ATOM 1134 N LYS A 67 -8.316 -17.587 -5.051 1.00 0.00 N ATOM 1135 CA LYS A 67 -6.864 -17.432 -5.119 1.00 0.00 C ATOM 1136 C LYS A 67 -6.288 -16.901 -3.809 1.00 0.00 C ATOM 1137 O LYS A 67 -5.128 -17.151 -3.482 1.00 0.00 O ATOM 1138 CB LYS A 67 -6.457 -16.529 -6.290 1.00 0.00 C ATOM 1139 CG LYS A 67 -6.855 -17.059 -7.661 1.00 0.00 C ATOM 1140 CD LYS A 67 -6.399 -18.497 -7.859 1.00 0.00 C ATOM 1141 CE LYS A 67 -6.708 -18.991 -9.263 1.00 0.00 C ATOM 1142 NZ LYS A 67 -6.794 -20.474 -9.323 1.00 0.00 N ATOM 0 H LYS A 67 -8.836 -16.964 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.445 -18.424 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.908 -15.547 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.376 -16.390 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.938 -17.001 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.419 -16.428 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.327 -18.569 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.892 -19.140 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.650 -18.559 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.934 -18.644 -9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.785 -20.782 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.981 -20.889 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.676 -20.789 -8.871 1.00 0.00 H new ATOM 1156 N TYR A 68 -7.119 -16.202 -3.052 1.00 0.00 N ATOM 1157 CA TYR A 68 -6.712 -15.631 -1.778 1.00 0.00 C ATOM 1158 C TYR A 68 -6.655 -16.721 -0.720 1.00 0.00 C ATOM 1159 O TYR A 68 -5.862 -16.657 0.215 1.00 0.00 O ATOM 1160 CB TYR A 68 -7.697 -14.531 -1.358 1.00 0.00 C ATOM 1161 CG TYR A 68 -7.403 -13.897 -0.017 1.00 0.00 C ATOM 1162 CD1 TYR A 68 -6.312 -13.054 0.149 1.00 0.00 C ATOM 1163 CD2 TYR A 68 -8.216 -14.139 1.083 1.00 0.00 C ATOM 1164 CE1 TYR A 68 -6.039 -12.475 1.372 1.00 0.00 C ATOM 1165 CE2 TYR A 68 -7.949 -13.563 2.310 1.00 0.00 C ATOM 1166 CZ TYR A 68 -6.857 -12.732 2.447 1.00 0.00 C ATOM 1167 OH TYR A 68 -6.584 -12.154 3.665 1.00 0.00 O ATOM 0 H TYR A 68 -8.090 -16.015 -3.302 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.721 -15.190 -1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.697 -13.752 -2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.702 -14.953 -1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.667 -12.848 -0.692 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.072 -14.789 0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.186 -11.822 1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.591 -13.762 3.156 1.00 0.00 H new ATOM 0 HH TYR A 68 -7.257 -12.436 4.319 1.00 0.00 H new ATOM 1177 N ALA A 69 -7.489 -17.733 -0.888 1.00 0.00 N ATOM 1178 CA ALA A 69 -7.538 -18.843 0.044 1.00 0.00 C ATOM 1179 C ALA A 69 -6.427 -19.847 -0.236 1.00 0.00 C ATOM 1180 O ALA A 69 -5.988 -20.568 0.660 1.00 0.00 O ATOM 1181 CB ALA A 69 -8.892 -19.526 -0.029 1.00 0.00 C ATOM 0 H ALA A 69 -8.144 -17.807 -1.666 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.390 -18.448 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.918 -20.358 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.674 -18.811 0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.057 -19.900 -1.039 1.00 0.00 H new ATOM 1187 N GLU A 70 -5.951 -19.874 -1.475 1.00 0.00 N ATOM 1188 CA GLU A 70 -4.908 -20.809 -1.868 1.00 0.00 C ATOM 1189 C GLU A 70 -3.511 -20.205 -1.730 1.00 0.00 C ATOM 1190 O GLU A 70 -2.588 -20.864 -1.257 1.00 0.00 O ATOM 1191 CB GLU A 70 -5.132 -21.269 -3.311 1.00 0.00 C ATOM 1192 CG GLU A 70 -6.446 -21.999 -3.540 1.00 0.00 C ATOM 1193 CD GLU A 70 -6.505 -23.330 -2.819 1.00 0.00 C ATOM 1194 OE1 GLU A 70 -5.945 -24.315 -3.342 1.00 0.00 O ATOM 1195 OE2 GLU A 70 -7.104 -23.395 -1.731 1.00 0.00 O ATOM 0 H GLU A 70 -6.271 -19.259 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.967 -21.663 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.094 -20.399 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.311 -21.924 -3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.270 -21.370 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.586 -22.162 -4.609 1.00 0.00 H new ATOM 1202 N TYR A 71 -3.355 -18.954 -2.156 1.00 0.00 N ATOM 1203 CA TYR A 71 -2.059 -18.283 -2.091 1.00 0.00 C ATOM 1204 C TYR A 71 -1.896 -17.495 -0.796 1.00 0.00 C ATOM 1205 O TYR A 71 -0.793 -17.383 -0.258 1.00 0.00 O ATOM 1206 CB TYR A 71 -1.890 -17.343 -3.289 1.00 0.00 C ATOM 1207 CG TYR A 71 -1.024 -17.898 -4.396 1.00 0.00 C ATOM 1208 CD1 TYR A 71 -1.561 -18.709 -5.388 1.00 0.00 C ATOM 1209 CD2 TYR A 71 0.333 -17.603 -4.453 1.00 0.00 C ATOM 1210 CE1 TYR A 71 -0.769 -19.212 -6.403 1.00 0.00 C ATOM 1211 CE2 TYR A 71 1.130 -18.099 -5.465 1.00 0.00 C ATOM 1212 CZ TYR A 71 0.574 -18.904 -6.436 1.00 0.00 C ATOM 1213 OH TYR A 71 1.364 -19.401 -7.448 1.00 0.00 O ATOM 0 H TYR A 71 -4.106 -18.386 -2.548 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.289 -19.054 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.874 -17.110 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.458 -16.404 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.613 -18.950 -5.366 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.772 -16.975 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.200 -19.843 -7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.182 -17.858 -5.496 1.00 0.00 H new ATOM 0 HH TYR A 71 2.285 -19.090 -7.327 1.00 0.00 H new ATOM 1223 N GLY A 72 -2.996 -16.944 -0.309 1.00 0.00 N ATOM 1224 CA GLY A 72 -2.962 -16.159 0.905 1.00 0.00 C ATOM 1225 C GLY A 72 -2.971 -14.679 0.594 1.00 0.00 C ATOM 1226 O GLY A 72 -3.267 -14.295 -0.540 1.00 0.00 O ATOM 0 H GLY A 72 -3.918 -17.028 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.821 -16.409 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.069 -16.408 1.479 1.00 0.00 H new ATOM 1230 N PRO A 73 -2.629 -13.819 1.565 1.00 0.00 N ATOM 1231 CA PRO A 73 -2.601 -12.359 1.370 1.00 0.00 C ATOM 1232 C PRO A 73 -1.374 -11.902 0.576 1.00 0.00 C ATOM 1233 O PRO A 73 -0.842 -10.818 0.799 1.00 0.00 O ATOM 1234 CB PRO A 73 -2.537 -11.827 2.804 1.00 0.00 C ATOM 1235 CG PRO A 73 -1.836 -12.897 3.567 1.00 0.00 C ATOM 1236 CD PRO A 73 -2.250 -14.199 2.939 1.00 0.00 C ATOM 0 HA PRO A 73 -3.457 -12.001 0.798 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.994 -10.883 2.853 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.534 -11.642 3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.755 -12.767 3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.112 -12.868 4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.435 -14.923 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.084 -14.654 3.473 1.00 0.00 H new ATOM 1244 N LYS A 74 -0.945 -12.727 -0.366 1.00 0.00 N ATOM 1245 CA LYS A 74 0.213 -12.416 -1.187 1.00 0.00 C ATOM 1246 C LYS A 74 -0.198 -11.581 -2.395 1.00 0.00 C ATOM 1247 O LYS A 74 -0.068 -12.013 -3.542 1.00 0.00 O ATOM 1248 CB LYS A 74 0.912 -13.705 -1.629 1.00 0.00 C ATOM 1249 CG LYS A 74 1.414 -14.563 -0.477 1.00 0.00 C ATOM 1250 CD LYS A 74 2.096 -15.824 -0.983 1.00 0.00 C ATOM 1251 CE LYS A 74 2.694 -16.631 0.160 1.00 0.00 C ATOM 1252 NZ LYS A 74 1.652 -17.242 1.027 1.00 0.00 N ATOM 0 H LYS A 74 -1.385 -13.622 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 74 0.915 -11.831 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.220 -14.293 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.755 -13.448 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.113 -13.988 0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.579 -14.833 0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.375 -16.437 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.881 -15.556 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.331 -17.417 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.332 -15.985 0.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.614 -16.735 1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.727 -17.179 0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.885 -18.241 1.199 1.00 0.00 H new ATOM 1266 N TRP A 75 -0.718 -10.392 -2.112 1.00 0.00 N ATOM 1267 CA TRP A 75 -1.176 -9.456 -3.139 1.00 0.00 C ATOM 1268 C TRP A 75 -0.154 -9.225 -4.249 1.00 0.00 C ATOM 1269 O TRP A 75 -0.531 -8.967 -5.391 1.00 0.00 O ATOM 1270 CB TRP A 75 -1.628 -8.138 -2.517 1.00 0.00 C ATOM 1271 CG TRP A 75 -2.605 -8.335 -1.404 1.00 0.00 C ATOM 1272 CD1 TRP A 75 -2.384 -8.114 -0.081 1.00 0.00 C ATOM 1273 CD2 TRP A 75 -3.950 -8.817 -1.510 1.00 0.00 C ATOM 1274 NE1 TRP A 75 -3.508 -8.418 0.645 1.00 0.00 N ATOM 1275 CE2 TRP A 75 -4.484 -8.852 -0.209 1.00 0.00 C ATOM 1276 CE3 TRP A 75 -4.756 -9.220 -2.580 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 -5.784 -9.271 0.053 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 -6.046 -9.637 -2.317 1.00 0.00 C ATOM 1279 CH2 TRP A 75 -6.549 -9.658 -1.012 1.00 0.00 C ATOM 0 H TRP A 75 -0.835 -10.046 -1.160 1.00 0.00 H new ATOM 0 HA TRP A 75 -2.035 -9.926 -3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.758 -7.600 -2.141 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -2.081 -7.513 -3.287 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -1.457 -7.751 0.338 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -3.601 -8.334 1.657 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -4.377 -9.205 -3.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -6.174 -9.290 1.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -6.678 -9.953 -3.134 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -7.564 -9.987 -0.842 1.00 0.00 H new ATOM 1290 N ASN A 76 1.132 -9.315 -3.915 1.00 0.00 N ATOM 1291 CA ASN A 76 2.202 -9.143 -4.903 1.00 0.00 C ATOM 1292 C ASN A 76 2.039 -10.162 -6.023 1.00 0.00 C ATOM 1293 O ASN A 76 2.306 -9.875 -7.188 1.00 0.00 O ATOM 1294 CB ASN A 76 3.573 -9.331 -4.245 1.00 0.00 C ATOM 1295 CG ASN A 76 4.678 -8.542 -4.921 1.00 0.00 C ATOM 1296 OD1 ASN A 76 4.691 -8.374 -6.140 1.00 0.00 O ATOM 1297 ND2 ASN A 76 5.614 -8.051 -4.129 1.00 0.00 N ATOM 0 H ASN A 76 1.461 -9.506 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 76 2.138 -8.134 -5.311 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.510 -9.031 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.832 -10.390 -4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.384 -7.510 -4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.567 -8.213 -3.123 1.00 0.00 H new ATOM 1304 N LYS A 77 1.609 -11.359 -5.648 1.00 0.00 N ATOM 1305 CA LYS A 77 1.379 -12.433 -6.605 1.00 0.00 C ATOM 1306 C LYS A 77 0.012 -12.266 -7.256 1.00 0.00 C ATOM 1307 O LYS A 77 -0.158 -12.531 -8.444 1.00 0.00 O ATOM 1308 CB LYS A 77 1.459 -13.796 -5.909 1.00 0.00 C ATOM 1309 CG LYS A 77 2.760 -14.551 -6.137 1.00 0.00 C ATOM 1310 CD LYS A 77 3.952 -13.816 -5.545 1.00 0.00 C ATOM 1311 CE LYS A 77 5.216 -14.663 -5.608 1.00 0.00 C ATOM 1312 NZ LYS A 77 5.547 -15.078 -6.998 1.00 0.00 N ATOM 0 H LYS A 77 1.411 -11.612 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 77 2.151 -12.385 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.322 -13.650 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.631 -14.414 -6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.687 -15.543 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.915 -14.693 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.111 -12.883 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.740 -13.552 -4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.050 -14.099 -5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.088 -15.550 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.481 -15.535 -7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.829 -15.748 -7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.562 -14.242 -7.616 1.00 0.00 H new ATOM 1326 N ILE A 78 -0.955 -11.809 -6.466 1.00 0.00 N ATOM 1327 CA ILE A 78 -2.319 -11.600 -6.946 1.00 0.00 C ATOM 1328 C ILE A 78 -2.366 -10.567 -8.072 1.00 0.00 C ATOM 1329 O ILE A 78 -3.017 -10.784 -9.095 1.00 0.00 O ATOM 1330 CB ILE A 78 -3.262 -11.163 -5.802 1.00 0.00 C ATOM 1331 CG1 ILE A 78 -3.339 -12.243 -4.715 1.00 0.00 C ATOM 1332 CG2 ILE A 78 -4.650 -10.829 -6.333 1.00 0.00 C ATOM 1333 CD1 ILE A 78 -3.810 -13.595 -5.213 1.00 0.00 C ATOM 0 H ILE A 78 -0.818 -11.574 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.663 -12.558 -7.336 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.848 -10.259 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.354 -12.358 -4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.013 -11.903 -3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.292 -10.525 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.577 -10.015 -7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.075 -11.708 -6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.836 -14.300 -4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.809 -13.498 -5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.124 -13.960 -5.978 1.00 0.00 H new ATOM 1345 N SER A 79 -1.654 -9.459 -7.886 1.00 0.00 N ATOM 1346 CA SER A 79 -1.612 -8.383 -8.876 1.00 0.00 C ATOM 1347 C SER A 79 -1.019 -8.851 -10.201 1.00 0.00 C ATOM 1348 O SER A 79 -1.202 -8.216 -11.238 1.00 0.00 O ATOM 1349 CB SER A 79 -0.830 -7.185 -8.332 1.00 0.00 C ATOM 1350 OG SER A 79 0.270 -7.607 -7.543 1.00 0.00 O ATOM 0 H SER A 79 -1.094 -9.281 -7.053 1.00 0.00 H new ATOM 0 HA SER A 79 -2.640 -8.076 -9.069 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.473 -6.573 -9.161 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.491 -6.557 -7.734 1.00 0.00 H new ATOM 0 HG SER A 79 -0.028 -7.762 -6.622 1.00 0.00 H new ATOM 1356 N LYS A 80 -0.313 -9.968 -10.166 1.00 0.00 N ATOM 1357 CA LYS A 80 0.295 -10.515 -11.366 1.00 0.00 C ATOM 1358 C LYS A 80 -0.740 -11.246 -12.212 1.00 0.00 C ATOM 1359 O LYS A 80 -0.571 -11.401 -13.424 1.00 0.00 O ATOM 1360 CB LYS A 80 1.468 -11.430 -11.013 1.00 0.00 C ATOM 1361 CG LYS A 80 2.664 -10.683 -10.451 1.00 0.00 C ATOM 1362 CD LYS A 80 3.656 -11.626 -9.794 1.00 0.00 C ATOM 1363 CE LYS A 80 4.932 -10.898 -9.395 1.00 0.00 C ATOM 1364 NZ LYS A 80 4.659 -9.680 -8.586 1.00 0.00 N ATOM 0 H LYS A 80 -0.147 -10.513 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 80 0.685 -9.687 -11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.136 -12.170 -10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.776 -11.976 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.159 -10.134 -11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.324 -9.947 -9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.202 -12.078 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.898 -12.438 -10.480 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.570 -11.574 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.484 -10.619 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.287 -9.666 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.831 -8.833 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.668 -9.688 -8.270 1.00 0.00 H new ATOM 1378 N PHE A 81 -1.823 -11.682 -11.572 1.00 0.00 N ATOM 1379 CA PHE A 81 -2.893 -12.382 -12.271 1.00 0.00 C ATOM 1380 C PHE A 81 -3.889 -11.384 -12.854 1.00 0.00 C ATOM 1381 O PHE A 81 -4.633 -11.701 -13.784 1.00 0.00 O ATOM 1382 CB PHE A 81 -3.621 -13.346 -11.329 1.00 0.00 C ATOM 1383 CG PHE A 81 -2.728 -14.331 -10.630 1.00 0.00 C ATOM 1384 CD1 PHE A 81 -1.874 -15.151 -11.350 1.00 0.00 C ATOM 1385 CD2 PHE A 81 -2.745 -14.439 -9.249 1.00 0.00 C ATOM 1386 CE1 PHE A 81 -1.053 -16.058 -10.708 1.00 0.00 C ATOM 1387 CE2 PHE A 81 -1.926 -15.344 -8.599 1.00 0.00 C ATOM 1388 CZ PHE A 81 -1.078 -16.155 -9.329 1.00 0.00 C ATOM 0 H PHE A 81 -1.981 -11.562 -10.571 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.445 -12.957 -13.082 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.156 -12.765 -10.578 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.369 -13.896 -11.900 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.850 -15.080 -12.427 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.406 -13.809 -8.673 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.393 -16.690 -11.283 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.949 -15.417 -7.522 1.00 0.00 H new ATOM 0 HZ PHE A 81 -0.437 -16.862 -8.824 1.00 0.00 H new ATOM 1398 N LEU A 82 -3.882 -10.173 -12.313 1.00 0.00 N ATOM 1399 CA LEU A 82 -4.780 -9.119 -12.766 1.00 0.00 C ATOM 1400 C LEU A 82 -3.959 -7.961 -13.310 1.00 0.00 C ATOM 1401 O LEU A 82 -3.495 -7.108 -12.555 1.00 0.00 O ATOM 1402 CB LEU A 82 -5.683 -8.633 -11.621 1.00 0.00 C ATOM 1403 CG LEU A 82 -6.843 -9.551 -11.203 1.00 0.00 C ATOM 1404 CD1 LEU A 82 -7.548 -10.141 -12.416 1.00 0.00 C ATOM 1405 CD2 LEU A 82 -6.373 -10.642 -10.252 1.00 0.00 C ATOM 0 H LEU A 82 -3.259 -9.895 -11.554 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.421 -9.518 -13.552 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.056 -8.461 -10.746 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.102 -7.668 -11.907 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.568 -8.938 -10.667 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.363 -10.785 -12.086 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.949 -9.336 -13.031 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.838 -10.726 -13.001 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.218 -11.273 -9.976 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.612 -11.249 -10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.952 -10.187 -9.355 1.00 0.00 H new ATOM 1417 N LYS A 83 -3.783 -7.943 -14.622 1.00 0.00 N ATOM 1418 CA LYS A 83 -2.994 -6.915 -15.288 1.00 0.00 C ATOM 1419 C LYS A 83 -3.668 -5.542 -15.235 1.00 0.00 C ATOM 1420 O LYS A 83 -4.299 -5.124 -16.208 1.00 0.00 O ATOM 1421 CB LYS A 83 -2.730 -7.327 -16.741 1.00 0.00 C ATOM 1422 CG LYS A 83 -1.592 -6.580 -17.414 1.00 0.00 C ATOM 1423 CD LYS A 83 -1.372 -7.090 -18.828 1.00 0.00 C ATOM 1424 CE LYS A 83 -0.192 -6.399 -19.487 1.00 0.00 C ATOM 1425 NZ LYS A 83 0.061 -6.917 -20.857 1.00 0.00 N ATOM 0 H LYS A 83 -4.181 -8.637 -15.254 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.047 -6.825 -14.755 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.512 -8.395 -16.768 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.641 -7.173 -17.320 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.815 -5.513 -17.438 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.678 -6.701 -16.833 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.200 -8.166 -18.806 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.271 -6.923 -19.421 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.380 -5.326 -19.534 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.699 -6.540 -18.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.874 -6.419 -21.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.265 -7.936 -20.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.780 -6.759 -21.449 1.00 0.00 H new ATOM 1439 N ASN A 84 -3.517 -4.859 -14.093 1.00 0.00 N ATOM 1440 CA ASN A 84 -4.088 -3.520 -13.877 1.00 0.00 C ATOM 1441 C ASN A 84 -4.030 -3.106 -12.410 1.00 0.00 C ATOM 1442 O ASN A 84 -3.556 -2.019 -12.076 1.00 0.00 O ATOM 1443 CB ASN A 84 -5.546 -3.430 -14.353 1.00 0.00 C ATOM 1444 CG ASN A 84 -6.129 -2.032 -14.222 1.00 0.00 C ATOM 1445 OD1 ASN A 84 -7.317 -1.869 -13.958 1.00 0.00 O ATOM 1446 ND2 ASN A 84 -5.306 -1.014 -14.424 1.00 0.00 N ATOM 0 H ASN A 84 -2.996 -5.217 -13.292 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.475 -2.840 -14.469 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.602 -3.745 -15.395 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.154 -4.127 -13.776 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.654 -0.057 -14.362 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.325 -1.187 -14.641 1.00 0.00 H new ATOM 1453 N ARG A 85 -4.509 -3.979 -11.538 1.00 0.00 N ATOM 1454 CA ARG A 85 -4.559 -3.687 -10.112 1.00 0.00 C ATOM 1455 C ARG A 85 -3.238 -4.003 -9.415 1.00 0.00 C ATOM 1456 O ARG A 85 -2.602 -5.015 -9.704 1.00 0.00 O ATOM 1457 CB ARG A 85 -5.707 -4.451 -9.458 1.00 0.00 C ATOM 1458 CG ARG A 85 -7.023 -4.374 -10.219 1.00 0.00 C ATOM 1459 CD ARG A 85 -7.491 -2.937 -10.379 1.00 0.00 C ATOM 1460 NE ARG A 85 -8.632 -2.829 -11.284 1.00 0.00 N ATOM 1461 CZ ARG A 85 -9.444 -1.775 -11.337 1.00 0.00 C ATOM 1462 NH1 ARG A 85 -9.254 -0.741 -10.529 1.00 0.00 N ATOM 1463 NH2 ARG A 85 -10.448 -1.750 -12.199 1.00 0.00 N ATOM 0 H ARG A 85 -4.870 -4.898 -11.793 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.733 -2.617 -10.001 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.420 -5.498 -9.356 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.860 -4.063 -8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.903 -4.830 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.784 -4.949 -9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.763 -2.534 -9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.670 -2.329 -10.757 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.818 -3.609 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.482 -0.750 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.879 0.063 -10.574 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.602 -2.540 -12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.068 -0.941 -12.237 1.00 0.00 H new ATOM 1477 N SER A 86 -2.835 -3.126 -8.500 1.00 0.00 N ATOM 1478 CA SER A 86 -1.590 -3.297 -7.763 1.00 0.00 C ATOM 1479 C SER A 86 -1.832 -3.645 -6.285 1.00 0.00 C ATOM 1480 O SER A 86 -2.973 -3.667 -5.822 1.00 0.00 O ATOM 1481 CB SER A 86 -0.742 -2.036 -7.897 1.00 0.00 C ATOM 1482 OG SER A 86 -1.548 -0.876 -7.773 1.00 0.00 O ATOM 0 H SER A 86 -3.357 -2.286 -8.251 1.00 0.00 H new ATOM 0 HA SER A 86 -1.053 -4.141 -8.195 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.034 -2.030 -7.131 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.236 -2.032 -8.863 1.00 0.00 H new ATOM 0 HG SER A 86 -1.255 -0.356 -6.996 1.00 0.00 H new ATOM 1488 N ASP A 87 -0.743 -3.887 -5.552 1.00 0.00 N ATOM 1489 CA ASP A 87 -0.795 -4.267 -4.133 1.00 0.00 C ATOM 1490 C ASP A 87 -1.618 -3.328 -3.240 1.00 0.00 C ATOM 1491 O ASP A 87 -2.701 -3.708 -2.787 1.00 0.00 O ATOM 1492 CB ASP A 87 0.609 -4.488 -3.562 1.00 0.00 C ATOM 1493 CG ASP A 87 1.587 -3.411 -3.979 1.00 0.00 C ATOM 1494 OD1 ASP A 87 1.573 -2.327 -3.371 1.00 0.00 O ATOM 1495 OD2 ASP A 87 2.367 -3.642 -4.932 1.00 0.00 O ATOM 0 H ASP A 87 0.205 -3.825 -5.925 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.337 -5.213 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.553 -4.520 -2.474 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.982 -5.458 -3.891 1.00 0.00 H new ATOM 1500 N ASN A 88 -1.113 -2.118 -2.976 1.00 0.00 N ATOM 1501 CA ASN A 88 -1.816 -1.149 -2.116 1.00 0.00 C ATOM 1502 C ASN A 88 -3.237 -0.880 -2.605 1.00 0.00 C ATOM 1503 O ASN A 88 -4.103 -0.488 -1.827 1.00 0.00 O ATOM 1504 CB ASN A 88 -1.033 0.169 -1.982 1.00 0.00 C ATOM 1505 CG ASN A 88 -1.261 0.896 -0.655 1.00 0.00 C ATOM 1506 OD1 ASN A 88 -0.573 0.644 0.336 1.00 0.00 O ATOM 1507 ND2 ASN A 88 -2.220 1.820 -0.624 1.00 0.00 N ATOM 0 H ASN A 88 -0.222 -1.783 -3.343 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.883 -1.603 -1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.031 -0.040 -2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.314 0.832 -2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.400 2.340 0.235 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.774 2.008 -1.459 1.00 0.00 H new ATOM 1514 N ASN A 89 -3.473 -1.095 -3.897 1.00 0.00 N ATOM 1515 CA ASN A 89 -4.797 -0.887 -4.475 1.00 0.00 C ATOM 1516 C ASN A 89 -5.742 -2.039 -4.139 1.00 0.00 C ATOM 1517 O ASN A 89 -6.849 -1.810 -3.644 1.00 0.00 O ATOM 1518 CB ASN A 89 -4.723 -0.690 -5.995 1.00 0.00 C ATOM 1519 CG ASN A 89 -6.094 -0.715 -6.659 1.00 0.00 C ATOM 1520 OD1 ASN A 89 -6.747 0.437 -6.722 1.00 0.00 O flip ATOM 1521 ND2 ASN A 89 -6.564 -1.761 -7.110 1.00 0.00 N flip ATOM 0 H ASN A 89 -2.767 -1.412 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.196 0.025 -4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -4.237 0.261 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -4.100 -1.472 -6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -6.033 -2.629 -7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.484 -1.759 -7.550 1.00 0.00 H new ATOM 1528 N ILE A 90 -5.306 -3.269 -4.404 1.00 0.00 N ATOM 1529 CA ILE A 90 -6.126 -4.447 -4.135 1.00 0.00 C ATOM 1530 C ILE A 90 -6.330 -4.653 -2.640 1.00 0.00 C ATOM 1531 O ILE A 90 -7.445 -4.912 -2.200 1.00 0.00 O ATOM 1532 CB ILE A 90 -5.544 -5.739 -4.752 1.00 0.00 C ATOM 1533 CG1 ILE A 90 -5.301 -5.562 -6.251 1.00 0.00 C ATOM 1534 CG2 ILE A 90 -6.491 -6.909 -4.514 1.00 0.00 C ATOM 1535 CD1 ILE A 90 -4.569 -6.725 -6.890 1.00 0.00 C ATOM 0 H ILE A 90 -4.391 -3.475 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.087 -4.250 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.590 -5.948 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.260 -5.428 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.727 -4.650 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.070 -7.813 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.626 -7.055 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.455 -6.696 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.432 -6.529 -7.953 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.595 -6.847 -6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.152 -7.637 -6.761 1.00 0.00 H new ATOM 1547 N ARG A 91 -5.258 -4.523 -1.861 1.00 0.00 N ATOM 1548 CA ARG A 91 -5.348 -4.706 -0.413 1.00 0.00 C ATOM 1549 C ARG A 91 -6.343 -3.724 0.205 1.00 0.00 C ATOM 1550 O ARG A 91 -7.108 -4.083 1.100 1.00 0.00 O ATOM 1551 CB ARG A 91 -3.957 -4.657 0.256 1.00 0.00 C ATOM 1552 CG ARG A 91 -3.657 -3.433 1.115 1.00 0.00 C ATOM 1553 CD ARG A 91 -4.154 -3.602 2.545 1.00 0.00 C ATOM 1554 NE ARG A 91 -3.925 -4.953 3.061 1.00 0.00 N ATOM 1555 CZ ARG A 91 -4.388 -5.390 4.236 1.00 0.00 C ATOM 1556 NH1 ARG A 91 -5.038 -4.563 5.047 1.00 0.00 N ATOM 1557 NH2 ARG A 91 -4.189 -6.648 4.610 1.00 0.00 N ATOM 0 H ARG A 91 -4.325 -4.294 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.737 -5.706 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.846 -5.545 0.878 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.200 -4.719 -0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.582 -3.251 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.125 -2.555 0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.651 -2.880 3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.220 -3.377 2.585 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.380 -5.599 2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.185 -3.591 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.390 -4.900 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.680 -7.287 3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.545 -6.975 5.508 1.00 0.00 H new ATOM 1571 N ASN A 92 -6.342 -2.495 -0.293 1.00 0.00 N ATOM 1572 CA ASN A 92 -7.258 -1.472 0.198 1.00 0.00 C ATOM 1573 C ASN A 92 -8.675 -1.809 -0.246 1.00 0.00 C ATOM 1574 O ASN A 92 -9.621 -1.750 0.537 1.00 0.00 O ATOM 1575 CB ASN A 92 -6.858 -0.102 -0.362 1.00 0.00 C ATOM 1576 CG ASN A 92 -6.405 0.886 0.700 1.00 0.00 C ATOM 1577 OD1 ASN A 92 -5.292 0.796 1.218 1.00 0.00 O ATOM 1578 ND2 ASN A 92 -7.258 1.855 1.011 1.00 0.00 N ATOM 0 H ASN A 92 -5.718 -2.181 -1.036 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.212 -1.440 1.287 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.055 -0.236 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.706 0.321 -0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.000 2.560 1.702 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.172 1.895 0.559 1.00 0.00 H new ATOM 1585 N ARG A 93 -8.799 -2.175 -1.516 1.00 0.00 N ATOM 1586 CA ARG A 93 -10.086 -2.523 -2.105 1.00 0.00 C ATOM 1587 C ARG A 93 -10.713 -3.764 -1.478 1.00 0.00 C ATOM 1588 O ARG A 93 -11.915 -3.787 -1.243 1.00 0.00 O ATOM 1589 CB ARG A 93 -9.951 -2.707 -3.614 1.00 0.00 C ATOM 1590 CG ARG A 93 -11.023 -1.994 -4.416 1.00 0.00 C ATOM 1591 CD ARG A 93 -11.040 -0.508 -4.103 1.00 0.00 C ATOM 1592 NE ARG A 93 -9.692 0.056 -4.097 1.00 0.00 N ATOM 1593 CZ ARG A 93 -9.400 1.286 -3.682 1.00 0.00 C ATOM 1594 NH1 ARG A 93 -10.358 2.098 -3.261 1.00 0.00 N ATOM 1595 NH2 ARG A 93 -8.146 1.705 -3.689 1.00 0.00 N ATOM 0 H ARG A 93 -8.014 -2.239 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.757 -1.690 -1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -8.973 -2.344 -3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -9.985 -3.772 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.845 -2.143 -5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.998 -2.427 -4.193 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.650 0.013 -4.841 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.507 -0.345 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 93 -8.927 -0.530 -4.432 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.328 1.782 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -10.126 3.039 -2.944 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.403 1.085 -4.012 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.922 2.648 -3.371 1.00 0.00 H new ATOM 1609 N TRP A 94 -9.909 -4.790 -1.229 1.00 0.00 N ATOM 1610 CA TRP A 94 -10.410 -6.025 -0.631 1.00 0.00 C ATOM 1611 C TRP A 94 -11.046 -5.742 0.722 1.00 0.00 C ATOM 1612 O TRP A 94 -12.137 -6.217 1.016 1.00 0.00 O ATOM 1613 CB TRP A 94 -9.292 -7.066 -0.493 1.00 0.00 C ATOM 1614 CG TRP A 94 -9.726 -8.349 0.157 1.00 0.00 C ATOM 1615 CD1 TRP A 94 -9.324 -8.828 1.372 1.00 0.00 C ATOM 1616 CD2 TRP A 94 -10.647 -9.317 -0.369 1.00 0.00 C ATOM 1617 NE1 TRP A 94 -9.932 -10.031 1.634 1.00 0.00 N ATOM 1618 CE2 TRP A 94 -10.749 -10.354 0.581 1.00 0.00 C ATOM 1619 CE3 TRP A 94 -11.393 -9.409 -1.547 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 -11.567 -11.466 0.387 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 -12.205 -10.515 -1.738 1.00 0.00 C ATOM 1622 CH2 TRP A 94 -12.284 -11.526 -0.775 1.00 0.00 C ATOM 0 H TRP A 94 -8.909 -4.793 -1.431 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.171 -6.436 -1.294 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -8.894 -7.289 -1.483 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.478 -6.634 0.088 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -8.628 -8.332 2.032 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -9.798 -10.593 2.475 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -11.338 -8.632 -2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -11.632 -12.250 1.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -12.786 -10.598 -2.645 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -12.927 -12.375 -0.954 1.00 0.00 H new ATOM 1633 N MET A 95 -10.363 -4.944 1.526 1.00 0.00 N ATOM 1634 CA MET A 95 -10.857 -4.577 2.845 1.00 0.00 C ATOM 1635 C MET A 95 -12.151 -3.776 2.718 1.00 0.00 C ATOM 1636 O MET A 95 -13.081 -3.935 3.511 1.00 0.00 O ATOM 1637 CB MET A 95 -9.792 -3.760 3.577 1.00 0.00 C ATOM 1638 CG MET A 95 -10.134 -3.414 5.014 1.00 0.00 C ATOM 1639 SD MET A 95 -8.739 -2.676 5.887 1.00 0.00 S ATOM 1640 CE MET A 95 -9.519 -2.214 7.433 1.00 0.00 C ATOM 0 H MET A 95 -9.459 -4.535 1.287 1.00 0.00 H new ATOM 0 HA MET A 95 -11.068 -5.481 3.417 1.00 0.00 H new ATOM 0 HB2 MET A 95 -8.855 -4.317 3.565 1.00 0.00 H new ATOM 0 HB3 MET A 95 -9.621 -2.835 3.026 1.00 0.00 H new ATOM 0 HG2 MET A 95 -10.977 -2.723 5.029 1.00 0.00 H new ATOM 0 HG3 MET A 95 -10.452 -4.316 5.537 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.784 -1.743 8.085 1.00 0.00 H new ATOM 0 HE2 MET A 95 -10.331 -1.514 7.236 1.00 0.00 H new ATOM 0 HE3 MET A 95 -9.918 -3.104 7.920 1.00 0.00 H new ATOM 1650 N MET A 96 -12.206 -2.938 1.692 1.00 0.00 N ATOM 1651 CA MET A 96 -13.370 -2.100 1.433 1.00 0.00 C ATOM 1652 C MET A 96 -14.558 -2.916 0.923 1.00 0.00 C ATOM 1653 O MET A 96 -15.667 -2.810 1.452 1.00 0.00 O ATOM 1654 CB MET A 96 -13.003 -0.989 0.438 1.00 0.00 C ATOM 1655 CG MET A 96 -14.186 -0.327 -0.252 1.00 0.00 C ATOM 1656 SD MET A 96 -14.452 -0.946 -1.924 1.00 0.00 S ATOM 1657 CE MET A 96 -15.851 0.053 -2.429 1.00 0.00 C ATOM 0 H MET A 96 -11.449 -2.820 1.018 1.00 0.00 H new ATOM 0 HA MET A 96 -13.676 -1.648 2.376 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.434 -0.223 0.965 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.345 -1.407 -0.324 1.00 0.00 H new ATOM 0 HG2 MET A 96 -15.086 -0.493 0.340 1.00 0.00 H new ATOM 0 HG3 MET A 96 -14.023 0.750 -0.289 1.00 0.00 H new ATOM 0 HE1 MET A 96 -16.138 -0.211 -3.447 1.00 0.00 H new ATOM 0 HE2 MET A 96 -16.689 -0.129 -1.757 1.00 0.00 H new ATOM 0 HE3 MET A 96 -15.578 1.107 -2.391 1.00 0.00 H new ATOM 1667 N ILE A 97 -14.318 -3.740 -0.092 1.00 0.00 N ATOM 1668 CA ILE A 97 -15.370 -4.559 -0.688 1.00 0.00 C ATOM 1669 C ILE A 97 -15.869 -5.642 0.265 1.00 0.00 C ATOM 1670 O ILE A 97 -17.052 -5.990 0.253 1.00 0.00 O ATOM 1671 CB ILE A 97 -14.949 -5.165 -2.051 1.00 0.00 C ATOM 1672 CG1 ILE A 97 -16.180 -5.528 -2.883 1.00 0.00 C ATOM 1673 CG2 ILE A 97 -14.042 -6.376 -1.877 1.00 0.00 C ATOM 1674 CD1 ILE A 97 -16.995 -4.328 -3.316 1.00 0.00 C ATOM 0 H ILE A 97 -13.400 -3.859 -0.521 1.00 0.00 H new ATOM 0 HA ILE A 97 -16.203 -3.883 -0.880 1.00 0.00 H new ATOM 0 HB ILE A 97 -14.379 -4.404 -2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -15.860 -6.078 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.815 -6.198 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -13.770 -6.771 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.140 -6.081 -1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -14.566 -7.145 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -17.852 -4.662 -3.902 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -17.345 -3.789 -2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -16.376 -3.668 -3.923 1.00 0.00 H new ATOM 1686 N ALA A 98 -14.973 -6.153 1.107 1.00 0.00 N ATOM 1687 CA ALA A 98 -15.336 -7.186 2.069 1.00 0.00 C ATOM 1688 C ALA A 98 -16.385 -6.662 3.039 1.00 0.00 C ATOM 1689 O ALA A 98 -17.271 -7.397 3.468 1.00 0.00 O ATOM 1690 CB ALA A 98 -14.111 -7.680 2.822 1.00 0.00 C ATOM 0 H ALA A 98 -13.994 -5.868 1.141 1.00 0.00 H new ATOM 0 HA ALA A 98 -15.759 -8.029 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -14.408 -8.450 3.534 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.393 -8.096 2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -13.653 -6.848 3.357 1.00 0.00 H new ATOM 1696 N ARG A 99 -16.286 -5.376 3.353 1.00 0.00 N ATOM 1697 CA ARG A 99 -17.222 -4.727 4.262 1.00 0.00 C ATOM 1698 C ARG A 99 -18.608 -4.634 3.630 1.00 0.00 C ATOM 1699 O ARG A 99 -19.622 -4.634 4.326 1.00 0.00 O ATOM 1700 CB ARG A 99 -16.710 -3.331 4.626 1.00 0.00 C ATOM 1701 CG ARG A 99 -17.441 -2.678 5.787 1.00 0.00 C ATOM 1702 CD ARG A 99 -16.661 -1.491 6.331 1.00 0.00 C ATOM 1703 NE ARG A 99 -16.466 -0.448 5.322 1.00 0.00 N ATOM 1704 CZ ARG A 99 -16.811 0.827 5.496 1.00 0.00 C ATOM 1705 NH1 ARG A 99 -17.329 1.225 6.652 1.00 0.00 N ATOM 1706 NH2 ARG A 99 -16.625 1.706 4.519 1.00 0.00 N ATOM 0 H ARG A 99 -15.561 -4.758 2.988 1.00 0.00 H new ATOM 0 HA ARG A 99 -17.300 -5.325 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -15.650 -3.398 4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -16.794 -2.687 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -18.427 -2.349 5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -17.595 -3.409 6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -17.190 -1.072 7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.690 -1.831 6.692 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.041 -0.713 4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.463 0.554 7.409 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.593 2.202 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.217 1.406 3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -16.890 2.682 4.654 1.00 0.00 H new ATOM 1720 N HIS A 100 -18.649 -4.571 2.306 1.00 0.00 N ATOM 1721 CA HIS A 100 -19.915 -4.490 1.588 1.00 0.00 C ATOM 1722 C HIS A 100 -20.502 -5.883 1.382 1.00 0.00 C ATOM 1723 O HIS A 100 -21.716 -6.071 1.419 1.00 0.00 O ATOM 1724 CB HIS A 100 -19.732 -3.790 0.235 1.00 0.00 C ATOM 1725 CG HIS A 100 -21.009 -3.595 -0.531 1.00 0.00 C ATOM 1726 ND1 HIS A 100 -21.342 -4.332 -1.647 1.00 0.00 N ATOM 1727 CD2 HIS A 100 -22.037 -2.737 -0.330 1.00 0.00 C ATOM 1728 CE1 HIS A 100 -22.518 -3.936 -2.098 1.00 0.00 C ATOM 1729 NE2 HIS A 100 -22.961 -2.969 -1.317 1.00 0.00 N ATOM 0 H HIS A 100 -17.823 -4.574 1.708 1.00 0.00 H new ATOM 0 HA HIS A 100 -20.607 -3.902 2.190 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -19.268 -2.818 0.401 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -19.041 -4.373 -0.374 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -22.115 -2.006 0.461 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -23.031 -4.336 -2.960 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -23.846 -2.475 -1.429 1.00 0.00 H new ATOM 1738 N ARG A 101 -19.632 -6.860 1.162 1.00 0.00 N ATOM 1739 CA ARG A 101 -20.064 -8.235 0.949 1.00 0.00 C ATOM 1740 C ARG A 101 -20.504 -8.885 2.259 1.00 0.00 C ATOM 1741 O ARG A 101 -21.366 -9.763 2.272 1.00 0.00 O ATOM 1742 CB ARG A 101 -18.950 -9.051 0.284 1.00 0.00 C ATOM 1743 CG ARG A 101 -19.385 -10.409 -0.248 1.00 0.00 C ATOM 1744 CD ARG A 101 -20.072 -10.299 -1.603 1.00 0.00 C ATOM 1745 NE ARG A 101 -21.353 -9.594 -1.526 1.00 0.00 N ATOM 1746 CZ ARG A 101 -22.516 -10.187 -1.252 1.00 0.00 C ATOM 1747 NH1 ARG A 101 -22.563 -11.500 -1.054 1.00 0.00 N ATOM 1748 NH2 ARG A 101 -23.630 -9.469 -1.191 1.00 0.00 N ATOM 0 H ARG A 101 -18.622 -6.725 1.126 1.00 0.00 H new ATOM 0 HA ARG A 101 -20.925 -8.218 0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -18.535 -8.470 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -18.147 -9.199 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -18.515 -11.060 -0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -20.063 -10.877 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -19.415 -9.777 -2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -20.235 -11.298 -2.007 1.00 0.00 H new ATOM 0 HE ARG A 101 -21.356 -8.588 -1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -21.709 -12.055 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -23.453 -11.953 -0.845 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -23.598 -8.463 -1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -24.519 -9.923 -0.981 1.00 0.00 H new ATOM 1762 N ALA A 102 -19.918 -8.428 3.363 1.00 0.00 N ATOM 1763 CA ALA A 102 -20.235 -8.960 4.686 1.00 0.00 C ATOM 1764 C ALA A 102 -21.571 -8.440 5.214 1.00 0.00 C ATOM 1765 O ALA A 102 -21.977 -8.788 6.326 1.00 0.00 O ATOM 1766 CB ALA A 102 -19.113 -8.648 5.663 1.00 0.00 C ATOM 0 H ALA A 102 -19.218 -7.687 3.367 1.00 0.00 H new ATOM 0 HA ALA A 102 -20.331 -10.041 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -19.363 -9.050 6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -18.187 -9.101 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -18.984 -7.568 5.736 1.00 0.00 H new ATOM 1772 N LYS A 103 -22.240 -7.609 4.415 1.00 0.00 N ATOM 1773 CA LYS A 103 -23.539 -7.039 4.778 1.00 0.00 C ATOM 1774 C LYS A 103 -23.515 -6.288 6.111 1.00 0.00 C ATOM 1775 O LYS A 103 -22.463 -5.830 6.567 1.00 0.00 O ATOM 1776 CB LYS A 103 -24.629 -8.117 4.774 1.00 0.00 C ATOM 1777 CG LYS A 103 -25.164 -8.452 3.392 1.00 0.00 C ATOM 1778 CD LYS A 103 -25.900 -7.266 2.788 1.00 0.00 C ATOM 1779 CE LYS A 103 -26.371 -7.563 1.375 1.00 0.00 C ATOM 1780 NZ LYS A 103 -27.306 -8.717 1.333 1.00 0.00 N ATOM 0 H LYS A 103 -21.899 -7.312 3.501 1.00 0.00 H new ATOM 0 HA LYS A 103 -23.775 -6.298 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -24.230 -9.024 5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -25.456 -7.785 5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -24.340 -8.743 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -25.837 -9.307 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -26.757 -7.012 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -25.244 -6.396 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -26.863 -6.682 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -25.509 -7.771 0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -27.747 -8.772 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -26.782 -9.595 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -28.044 -8.592 2.055 1.00 0.00 H new ATOM 1794 N HIS A 104 -24.689 -6.150 6.718 1.00 0.00 N ATOM 1795 CA HIS A 104 -24.832 -5.453 7.995 1.00 0.00 C ATOM 1796 C HIS A 104 -26.147 -5.822 8.678 1.00 0.00 C ATOM 1797 O HIS A 104 -27.218 -5.351 8.284 1.00 0.00 O ATOM 1798 CB HIS A 104 -24.726 -3.925 7.819 1.00 0.00 C ATOM 1799 CG HIS A 104 -25.392 -3.377 6.587 1.00 0.00 C ATOM 1800 ND1 HIS A 104 -26.749 -3.453 6.365 1.00 0.00 N ATOM 1801 CD2 HIS A 104 -24.872 -2.750 5.505 1.00 0.00 C ATOM 1802 CE1 HIS A 104 -27.034 -2.898 5.203 1.00 0.00 C ATOM 1803 NE2 HIS A 104 -25.915 -2.461 4.659 1.00 0.00 N ATOM 0 H HIS A 104 -25.564 -6.515 6.343 1.00 0.00 H new ATOM 0 HA HIS A 104 -24.010 -5.776 8.634 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -25.162 -3.443 8.694 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -23.672 -3.650 7.796 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -27.428 -3.873 7.000 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -23.830 -2.520 5.338 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -28.020 -2.815 4.769 1.00 0.00 H new ATOM 1812 N GLN A 105 -26.067 -6.685 9.684 1.00 0.00 N ATOM 1813 CA GLN A 105 -27.250 -7.108 10.423 1.00 0.00 C ATOM 1814 C GLN A 105 -27.852 -5.937 11.190 1.00 0.00 C ATOM 1815 O GLN A 105 -27.130 -5.047 11.646 1.00 0.00 O ATOM 1816 CB GLN A 105 -26.920 -8.262 11.375 1.00 0.00 C ATOM 1817 CG GLN A 105 -26.523 -9.547 10.668 1.00 0.00 C ATOM 1818 CD GLN A 105 -26.478 -10.754 11.592 1.00 0.00 C ATOM 1819 OE1 GLN A 105 -26.764 -11.877 11.175 1.00 0.00 O ATOM 1820 NE2 GLN A 105 -26.111 -10.540 12.844 1.00 0.00 N ATOM 0 H GLN A 105 -25.195 -7.105 10.006 1.00 0.00 H new ATOM 0 HA GLN A 105 -27.987 -7.464 9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -26.108 -7.956 12.034 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -27.786 -8.459 12.006 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -27.229 -9.742 9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -25.543 -9.413 10.209 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -25.881 -9.596 13.154 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -26.057 -11.319 13.500 1.00 0.00 H new ATOM 1829 N LYS A 106 -29.170 -5.950 11.343 1.00 0.00 N ATOM 1830 CA LYS A 106 -29.870 -4.881 12.037 1.00 0.00 C ATOM 1831 C LYS A 106 -31.133 -5.416 12.701 1.00 0.00 C ATOM 1832 O LYS A 106 -31.301 -5.305 13.917 1.00 0.00 O ATOM 1833 CB LYS A 106 -30.215 -3.745 11.065 1.00 0.00 C ATOM 1834 CG LYS A 106 -31.055 -2.629 11.672 1.00 0.00 C ATOM 1835 CD LYS A 106 -31.009 -1.363 10.827 1.00 0.00 C ATOM 1836 CE LYS A 106 -29.691 -0.622 10.999 1.00 0.00 C ATOM 1837 NZ LYS A 106 -29.557 -0.020 12.354 1.00 0.00 N ATOM 0 H LYS A 106 -29.776 -6.693 10.994 1.00 0.00 H new ATOM 0 HA LYS A 106 -29.214 -4.484 12.811 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -29.288 -3.318 10.681 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -30.750 -4.163 10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -32.088 -2.963 11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -30.695 -2.409 12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -31.148 -1.621 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -31.834 -0.708 11.106 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -28.864 -1.310 10.826 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -29.616 0.162 10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -28.784 0.675 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -30.446 0.453 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -29.347 -0.767 13.047 1.00 0.00 H new ATOM 1851 N SER A 107 -32.013 -6.003 11.900 1.00 0.00 N ATOM 1852 CA SER A 107 -33.260 -6.562 12.402 1.00 0.00 C ATOM 1853 C SER A 107 -33.784 -7.628 11.444 1.00 0.00 C ATOM 1854 O SER A 107 -33.296 -7.751 10.322 1.00 0.00 O ATOM 1855 CB SER A 107 -34.302 -5.456 12.578 1.00 0.00 C ATOM 1856 OG SER A 107 -35.421 -5.913 13.313 1.00 0.00 O ATOM 1857 OXT SER A 107 -34.700 -8.376 11.784 1.00 0.00 O ATOM 0 H SER A 107 -31.884 -6.104 10.893 1.00 0.00 H new ATOM 0 HA SER A 107 -33.070 -7.024 13.371 1.00 0.00 H new ATOM 0 HB2 SER A 107 -33.850 -4.607 13.091 1.00 0.00 H new ATOM 0 HB3 SER A 107 -34.627 -5.102 11.600 1.00 0.00 H new ATOM 0 HG SER A 107 -35.528 -6.878 13.180 1.00 0.00 H new