USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 CYS SG : rot 180:sc= -0.0796 USER MOD Set 1.2: A 59 TYR OH : rot -121:sc= 0.0929 USER MOD Set 2.1: A 1 MET N :NH3+ 156:sc= 0.63 (180deg=-0.962!) USER MOD Set 2.2: A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -123:sc= -1.46! (180deg=-3.22!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= 1.24 (180deg=1.11) USER MOD Single : A 17 MET CE :methyl -178:sc= 0 (180deg=-0.00618) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 0.0572 (180deg=0.0167) USER MOD Single : A 30 ASN : amide:sc= 0.391 K(o=0.39,f=-0.13) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -154:sc= 1.27 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= 0.00884 F(o=-1.2!,f=0.0088) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.273) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.315 X(o=0.31,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.475 2.274 1.042 1.00 0.00 N ATOM 2 CA MET A 1 13.142 3.499 1.801 1.00 0.00 C ATOM 3 C MET A 1 11.733 3.326 2.374 1.00 0.00 C ATOM 4 O MET A 1 11.148 2.251 2.226 1.00 0.00 O ATOM 5 CB MET A 1 13.316 4.764 0.942 1.00 0.00 C ATOM 6 CG MET A 1 14.778 5.213 0.868 1.00 0.00 C ATOM 7 SD MET A 1 15.930 4.096 0.015 1.00 0.00 S ATOM 8 CE MET A 1 16.486 2.973 1.327 1.00 0.00 C ATOM 0 H1 MET A 1 14.200 2.493 0.329 1.00 0.00 H new ATOM 0 H2 MET A 1 13.838 1.550 1.694 1.00 0.00 H new ATOM 0 H3 MET A 1 12.621 1.916 0.568 1.00 0.00 H new ATOM 0 HA MET A 1 13.835 3.641 2.630 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.945 4.572 -0.065 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.710 5.570 1.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.812 6.182 0.370 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.140 5.364 1.885 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.573 3.012 1.403 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.045 3.276 2.277 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.175 1.955 1.091 1.00 0.00 H new ATOM 18 N ARG A 2 11.141 4.331 3.037 1.00 0.00 N ATOM 19 CA ARG A 2 9.685 4.314 3.209 1.00 0.00 C ATOM 20 C ARG A 2 9.067 5.106 2.069 1.00 0.00 C ATOM 21 O ARG A 2 9.636 6.103 1.626 1.00 0.00 O ATOM 22 CB ARG A 2 9.224 4.701 4.626 1.00 0.00 C ATOM 23 CG ARG A 2 9.040 6.201 4.781 1.00 0.00 C ATOM 24 CD ARG A 2 8.998 6.694 6.228 1.00 0.00 C ATOM 25 NE ARG A 2 7.857 6.155 6.991 1.00 0.00 N ATOM 26 CZ ARG A 2 7.208 6.770 7.988 1.00 0.00 C ATOM 27 NH1 ARG A 2 7.476 8.030 8.325 1.00 0.00 N ATOM 28 NH2 ARG A 2 6.277 6.098 8.656 1.00 0.00 N ATOM 0 H ARG A 2 11.624 5.131 3.446 1.00 0.00 H new ATOM 0 HA ARG A 2 9.311 3.292 3.140 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.284 4.196 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.956 4.350 5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.853 6.709 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.114 6.493 4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.926 6.415 6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.949 7.783 6.233 1.00 0.00 H new ATOM 0 HE ARG A 2 7.530 5.223 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.192 8.552 7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.966 8.473 9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 2 6.068 5.131 8.406 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.771 6.549 9.419 1.00 0.00 H new ATOM 42 N TYR A 3 7.913 4.655 1.593 1.00 0.00 N ATOM 43 CA TYR A 3 7.247 5.206 0.432 1.00 0.00 C ATOM 44 C TYR A 3 5.774 5.329 0.763 1.00 0.00 C ATOM 45 O TYR A 3 5.164 4.335 1.159 1.00 0.00 O ATOM 46 CB TYR A 3 7.442 4.303 -0.789 1.00 0.00 C ATOM 47 CG TYR A 3 8.876 3.885 -1.053 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.757 4.731 -1.756 1.00 0.00 C ATOM 49 CD2 TYR A 3 9.328 2.635 -0.587 1.00 0.00 C ATOM 50 CE1 TYR A 3 11.068 4.303 -2.042 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.632 2.205 -0.869 1.00 0.00 C ATOM 52 CZ TYR A 3 11.489 3.022 -1.628 1.00 0.00 C ATOM 53 OH TYR A 3 12.743 2.589 -1.893 1.00 0.00 O ATOM 0 H TYR A 3 7.407 3.878 2.017 1.00 0.00 H new ATOM 0 HA TYR A 3 7.669 6.181 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.836 3.406 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.062 4.821 -1.670 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.427 5.708 -2.076 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.667 2.005 -0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.747 4.952 -2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.978 1.249 -0.504 1.00 0.00 H new ATOM 0 HH TYR A 3 12.860 1.685 -1.534 1.00 0.00 H new ATOM 63 N VAL A 4 5.203 6.522 0.618 1.00 0.00 N ATOM 64 CA VAL A 4 3.770 6.735 0.700 1.00 0.00 C ATOM 65 C VAL A 4 3.192 6.460 -0.688 1.00 0.00 C ATOM 66 O VAL A 4 3.685 6.990 -1.683 1.00 0.00 O ATOM 67 CB VAL A 4 3.452 8.133 1.268 1.00 0.00 C ATOM 68 CG1 VAL A 4 4.029 9.309 0.472 1.00 0.00 C ATOM 69 CG2 VAL A 4 1.944 8.344 1.434 1.00 0.00 C ATOM 0 H VAL A 4 5.733 7.375 0.438 1.00 0.00 H new ATOM 0 HA VAL A 4 3.295 6.051 1.403 1.00 0.00 H new ATOM 0 HB VAL A 4 3.952 8.135 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.749 10.246 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.115 9.228 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.633 9.290 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.758 9.340 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.454 8.247 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.545 7.596 2.119 1.00 0.00 H new ATOM 79 N LEU A 5 2.179 5.606 -0.792 1.00 0.00 N ATOM 80 CA LEU A 5 1.469 5.258 -2.013 1.00 0.00 C ATOM 81 C LEU A 5 0.054 5.835 -1.944 1.00 0.00 C ATOM 82 O LEU A 5 -0.538 5.844 -0.864 1.00 0.00 O ATOM 83 CB LEU A 5 1.331 3.738 -2.141 1.00 0.00 C ATOM 84 CG LEU A 5 2.420 2.820 -1.566 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.952 1.372 -1.751 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.773 3.034 -2.249 1.00 0.00 C ATOM 0 H LEU A 5 1.812 5.111 0.021 1.00 0.00 H new ATOM 0 HA LEU A 5 2.027 5.656 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.388 3.457 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.240 3.508 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 5 2.566 3.052 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.705 0.692 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.011 1.223 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.806 1.169 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.512 2.364 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.680 2.824 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.092 4.067 -2.109 1.00 0.00 H new ATOM 98 N TYR A 6 -0.534 6.197 -3.081 1.00 0.00 N ATOM 99 CA TYR A 6 -1.854 6.808 -3.194 1.00 0.00 C ATOM 100 C TYR A 6 -2.794 5.814 -3.876 1.00 0.00 C ATOM 101 O TYR A 6 -2.737 5.640 -5.094 1.00 0.00 O ATOM 102 CB TYR A 6 -1.709 8.121 -3.972 1.00 0.00 C ATOM 103 CG TYR A 6 -2.968 8.946 -4.116 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.895 9.051 -3.062 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.173 9.681 -5.296 1.00 0.00 C ATOM 106 CE1 TYR A 6 -5.020 9.875 -3.191 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.282 10.526 -5.423 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.223 10.620 -4.375 1.00 0.00 C ATOM 109 OH TYR A 6 -6.300 11.443 -4.500 1.00 0.00 O ATOM 0 H TYR A 6 -0.084 6.067 -3.987 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.282 7.044 -2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.952 8.731 -3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.333 7.891 -4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.738 8.494 -2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.470 9.593 -6.111 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.734 9.941 -2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.418 11.106 -6.324 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.280 11.877 -5.378 1.00 0.00 H new ATOM 119 N VAL A 7 -3.609 5.108 -3.093 1.00 0.00 N ATOM 120 CA VAL A 7 -4.458 4.004 -3.522 1.00 0.00 C ATOM 121 C VAL A 7 -5.935 4.402 -3.302 1.00 0.00 C ATOM 122 O VAL A 7 -6.501 4.069 -2.255 1.00 0.00 O ATOM 123 CB VAL A 7 -4.055 2.723 -2.752 1.00 0.00 C ATOM 124 CG1 VAL A 7 -4.659 1.457 -3.384 1.00 0.00 C ATOM 125 CG2 VAL A 7 -2.537 2.521 -2.612 1.00 0.00 C ATOM 0 H VAL A 7 -3.697 5.302 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.330 3.791 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.463 2.878 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.350 0.582 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.747 1.530 -3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.309 1.361 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.342 1.601 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.086 2.453 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.106 3.365 -2.074 1.00 0.00 H new ATOM 135 N PRO A 8 -6.579 5.125 -4.240 1.00 0.00 N ATOM 136 CA PRO A 8 -7.958 5.579 -4.081 1.00 0.00 C ATOM 137 C PRO A 8 -8.986 4.499 -3.694 1.00 0.00 C ATOM 138 O PRO A 8 -9.923 4.830 -2.963 1.00 0.00 O ATOM 139 CB PRO A 8 -8.339 6.332 -5.359 1.00 0.00 C ATOM 140 CG PRO A 8 -7.069 6.397 -6.209 1.00 0.00 C ATOM 141 CD PRO A 8 -5.948 5.795 -5.369 1.00 0.00 C ATOM 0 HA PRO A 8 -7.993 6.234 -3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.138 5.816 -5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.704 7.332 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.197 5.842 -7.139 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.838 7.427 -6.482 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.360 5.090 -5.957 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.264 6.571 -5.025 1.00 0.00 H new ATOM 149 N ASP A 9 -8.812 3.221 -4.075 1.00 0.00 N ATOM 150 CA ASP A 9 -9.790 2.167 -3.722 1.00 0.00 C ATOM 151 C ASP A 9 -9.925 1.959 -2.217 1.00 0.00 C ATOM 152 O ASP A 9 -10.907 1.363 -1.769 1.00 0.00 O ATOM 153 CB ASP A 9 -9.464 0.800 -4.340 1.00 0.00 C ATOM 154 CG ASP A 9 -10.010 0.630 -5.755 1.00 0.00 C ATOM 155 OD1 ASP A 9 -9.407 1.188 -6.695 1.00 0.00 O ATOM 156 OD2 ASP A 9 -10.992 -0.118 -5.945 1.00 0.00 O ATOM 0 H ASP A 9 -8.015 2.892 -4.620 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.726 2.543 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.382 0.666 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.873 0.015 -3.704 1.00 0.00 H new ATOM 161 N ILE A 10 -8.993 2.457 -1.402 1.00 0.00 N ATOM 162 CA ILE A 10 -9.007 2.242 0.044 1.00 0.00 C ATOM 163 C ILE A 10 -10.178 2.983 0.725 1.00 0.00 C ATOM 164 O ILE A 10 -10.367 2.880 1.931 1.00 0.00 O ATOM 165 CB ILE A 10 -7.609 2.545 0.638 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.624 1.581 -0.056 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.548 2.309 2.158 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.191 1.615 0.465 1.00 0.00 C ATOM 0 H ILE A 10 -8.208 3.021 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.204 1.191 0.254 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.367 3.595 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.005 0.565 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.610 1.810 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.546 2.537 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.270 2.956 2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.785 1.267 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.585 0.900 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.781 2.617 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.182 1.352 1.523 1.00 0.00 H new ATOM 180 N SER A 11 -11.019 3.679 -0.038 1.00 0.00 N ATOM 181 CA SER A 11 -12.165 4.468 0.377 1.00 0.00 C ATOM 182 C SER A 11 -13.219 3.709 1.205 1.00 0.00 C ATOM 183 O SER A 11 -14.159 4.344 1.681 1.00 0.00 O ATOM 184 CB SER A 11 -12.785 5.040 -0.905 1.00 0.00 C ATOM 185 OG SER A 11 -13.318 6.331 -0.710 1.00 0.00 O ATOM 0 H SER A 11 -10.900 3.704 -1.051 1.00 0.00 H new ATOM 0 HA SER A 11 -11.816 5.243 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.027 5.076 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.573 4.373 -1.254 1.00 0.00 H new ATOM 0 HG SER A 11 -13.701 6.657 -1.551 1.00 0.00 H new ATOM 191 N CYS A 12 -13.086 2.394 1.399 1.00 0.00 N ATOM 192 CA CYS A 12 -13.929 1.602 2.287 1.00 0.00 C ATOM 193 C CYS A 12 -13.087 0.758 3.251 1.00 0.00 C ATOM 194 O CYS A 12 -11.964 0.350 2.945 1.00 0.00 O ATOM 195 CB CYS A 12 -14.870 0.727 1.446 1.00 0.00 C ATOM 196 SG CYS A 12 -16.396 1.633 1.063 1.00 0.00 S ATOM 0 H CYS A 12 -12.370 1.840 0.929 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.528 2.274 2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.373 0.430 0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.108 -0.188 1.988 1.00 0.00 H new ATOM 0 HG CYS A 12 -17.180 0.880 0.350 1.00 0.00 H new ATOM 202 N ASN A 13 -13.668 0.426 4.406 1.00 0.00 N ATOM 203 CA ASN A 13 -13.013 -0.267 5.515 1.00 0.00 C ATOM 204 C ASN A 13 -12.385 -1.586 5.090 1.00 0.00 C ATOM 205 O ASN A 13 -11.262 -1.879 5.499 1.00 0.00 O ATOM 206 CB ASN A 13 -14.022 -0.605 6.629 1.00 0.00 C ATOM 207 CG ASN A 13 -14.357 0.524 7.586 1.00 0.00 C ATOM 208 OD1 ASN A 13 -15.519 0.860 7.778 1.00 0.00 O ATOM 209 ND2 ASN A 13 -13.367 1.020 8.308 1.00 0.00 N ATOM 0 H ASN A 13 -14.646 0.641 4.601 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.241 0.418 5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.946 -0.947 6.164 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.628 -1.441 7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.563 1.698 9.044 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.407 0.724 8.129 1.00 0.00 H new ATOM 216 N HIS A 14 -13.111 -2.407 4.326 1.00 0.00 N ATOM 217 CA HIS A 14 -12.590 -3.696 3.879 1.00 0.00 C ATOM 218 C HIS A 14 -11.411 -3.492 2.924 1.00 0.00 C ATOM 219 O HIS A 14 -10.427 -4.231 2.986 1.00 0.00 O ATOM 220 CB HIS A 14 -13.709 -4.510 3.221 1.00 0.00 C ATOM 221 CG HIS A 14 -13.254 -5.862 2.730 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.308 -6.305 1.428 1.00 0.00 N ATOM 223 CD2 HIS A 14 -12.675 -6.849 3.482 1.00 0.00 C ATOM 224 CE1 HIS A 14 -12.777 -7.540 1.396 1.00 0.00 C ATOM 225 NE2 HIS A 14 -12.378 -7.917 2.628 1.00 0.00 N ATOM 0 H HIS A 14 -14.057 -2.201 4.007 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.225 -4.255 4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.520 -4.645 3.937 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.115 -3.944 2.382 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.482 -6.810 4.544 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.683 -8.146 0.507 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.946 -8.804 2.886 1.00 0.00 H new ATOM 233 N CYS A 15 -11.479 -2.455 2.088 1.00 0.00 N ATOM 234 CA CYS A 15 -10.448 -2.134 1.122 1.00 0.00 C ATOM 235 C CYS A 15 -9.114 -1.835 1.800 1.00 0.00 C ATOM 236 O CYS A 15 -8.085 -2.227 1.265 1.00 0.00 O ATOM 237 CB CYS A 15 -10.905 -0.987 0.225 1.00 0.00 C ATOM 238 SG CYS A 15 -12.508 -1.425 -0.511 1.00 0.00 S ATOM 0 H CYS A 15 -12.268 -1.809 2.069 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.283 -3.008 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.994 -0.067 0.803 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.168 -0.802 -0.557 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.913 -0.456 -1.278 1.00 0.00 H new ATOM 244 N LYS A 16 -9.106 -1.230 2.996 1.00 0.00 N ATOM 245 CA LYS A 16 -7.899 -1.096 3.819 1.00 0.00 C ATOM 246 C LYS A 16 -7.219 -2.456 3.964 1.00 0.00 C ATOM 247 O LYS A 16 -6.060 -2.592 3.574 1.00 0.00 O ATOM 248 CB LYS A 16 -8.234 -0.412 5.163 1.00 0.00 C ATOM 249 CG LYS A 16 -7.106 -0.494 6.209 1.00 0.00 C ATOM 250 CD LYS A 16 -7.075 0.721 7.147 1.00 0.00 C ATOM 251 CE LYS A 16 -6.098 0.469 8.304 1.00 0.00 C ATOM 252 NZ LYS A 16 -5.883 1.672 9.134 1.00 0.00 N ATOM 0 H LYS A 16 -9.938 -0.820 3.419 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.178 -0.442 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.467 0.636 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.133 -0.869 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.231 -1.401 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.147 -0.577 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.774 1.610 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.074 0.913 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.481 -0.337 8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.142 0.133 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.542 1.388 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.177 2.285 8.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.779 2.190 9.233 1.00 0.00 H new ATOM 266 N MET A 17 -7.948 -3.462 4.453 1.00 0.00 N ATOM 267 CA MET A 17 -7.402 -4.795 4.671 1.00 0.00 C ATOM 268 C MET A 17 -6.799 -5.398 3.413 1.00 0.00 C ATOM 269 O MET A 17 -5.792 -6.084 3.520 1.00 0.00 O ATOM 270 CB MET A 17 -8.474 -5.772 5.181 1.00 0.00 C ATOM 271 CG MET A 17 -8.154 -6.315 6.578 1.00 0.00 C ATOM 272 SD MET A 17 -8.482 -8.087 6.806 1.00 0.00 S ATOM 273 CE MET A 17 -10.221 -8.218 6.318 1.00 0.00 C ATOM 0 H MET A 17 -8.932 -3.371 4.707 1.00 0.00 H new ATOM 0 HA MET A 17 -6.620 -4.659 5.418 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.440 -5.268 5.203 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.565 -6.604 4.483 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.103 -6.125 6.793 1.00 0.00 H new ATOM 0 HG3 MET A 17 -8.736 -5.756 7.311 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.558 -9.247 6.445 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.825 -7.559 6.942 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.328 -7.928 5.273 1.00 0.00 H new ATOM 283 N ARG A 18 -7.390 -5.181 2.232 1.00 0.00 N ATOM 284 CA ARG A 18 -6.988 -5.877 1.013 1.00 0.00 C ATOM 285 C ARG A 18 -5.500 -5.688 0.761 1.00 0.00 C ATOM 286 O ARG A 18 -4.815 -6.636 0.381 1.00 0.00 O ATOM 287 CB ARG A 18 -7.804 -5.370 -0.183 1.00 0.00 C ATOM 288 CG ARG A 18 -9.264 -5.860 -0.193 1.00 0.00 C ATOM 289 CD ARG A 18 -9.511 -6.604 -1.503 1.00 0.00 C ATOM 290 NE ARG A 18 -10.922 -6.817 -1.845 1.00 0.00 N ATOM 291 CZ ARG A 18 -11.351 -7.646 -2.806 1.00 0.00 C ATOM 292 NH1 ARG A 18 -10.498 -8.426 -3.458 1.00 0.00 N ATOM 293 NH2 ARG A 18 -12.642 -7.679 -3.116 1.00 0.00 N ATOM 0 H ARG A 18 -8.156 -4.521 2.099 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.184 -6.942 1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.797 -4.280 -0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.317 -5.689 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.450 -6.516 0.657 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.948 -5.017 -0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.038 -6.048 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.016 -7.574 -1.450 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.623 -6.299 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.504 -8.398 -3.229 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.836 -9.053 -4.188 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.300 -7.075 -2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.975 -8.308 -3.847 1.00 0.00 H new ATOM 307 N ILE A 19 -5.013 -4.469 0.988 1.00 0.00 N ATOM 308 CA ILE A 19 -3.608 -4.139 0.862 1.00 0.00 C ATOM 309 C ILE A 19 -2.853 -4.849 1.973 1.00 0.00 C ATOM 310 O ILE A 19 -2.021 -5.700 1.669 1.00 0.00 O ATOM 311 CB ILE A 19 -3.394 -2.611 0.859 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.068 -2.007 -0.386 1.00 0.00 C ATOM 313 CG2 ILE A 19 -1.897 -2.267 0.830 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.525 -1.648 -0.165 1.00 0.00 C ATOM 0 H ILE A 19 -5.595 -3.679 1.267 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.216 -4.485 -0.095 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.832 -2.199 1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.523 -1.113 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.997 -2.717 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.772 -1.184 0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.410 -2.687 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.445 -2.686 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.939 -1.228 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.083 -2.544 0.108 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.601 -0.914 0.638 1.00 0.00 H new ATOM 326 N SER A 20 -3.122 -4.511 3.235 1.00 0.00 N ATOM 327 CA SER A 20 -2.325 -4.953 4.370 1.00 0.00 C ATOM 328 C SER A 20 -2.181 -6.469 4.394 1.00 0.00 C ATOM 329 O SER A 20 -1.086 -6.998 4.518 1.00 0.00 O ATOM 330 CB SER A 20 -2.964 -4.480 5.674 1.00 0.00 C ATOM 331 OG SER A 20 -3.734 -3.301 5.478 1.00 0.00 O ATOM 0 H SER A 20 -3.909 -3.916 3.496 1.00 0.00 H new ATOM 0 HA SER A 20 -1.331 -4.517 4.268 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.600 -5.269 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.186 -4.289 6.414 1.00 0.00 H new ATOM 0 HG SER A 20 -4.131 -3.024 6.330 1.00 0.00 H new ATOM 337 N LYS A 21 -3.289 -7.176 4.186 1.00 0.00 N ATOM 338 CA LYS A 21 -3.342 -8.625 4.135 1.00 0.00 C ATOM 339 C LYS A 21 -2.326 -9.161 3.124 1.00 0.00 C ATOM 340 O LYS A 21 -1.602 -10.108 3.414 1.00 0.00 O ATOM 341 CB LYS A 21 -4.804 -8.988 3.812 1.00 0.00 C ATOM 342 CG LYS A 21 -5.168 -10.453 3.559 1.00 0.00 C ATOM 343 CD LYS A 21 -4.776 -10.942 2.158 1.00 0.00 C ATOM 344 CE LYS A 21 -5.869 -11.860 1.608 1.00 0.00 C ATOM 345 NZ LYS A 21 -5.527 -12.415 0.289 1.00 0.00 N ATOM 0 H LYS A 21 -4.199 -6.738 4.045 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.061 -9.092 5.079 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.421 -8.634 4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.097 -8.419 2.929 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.676 -11.077 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.242 -10.582 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.633 -10.091 1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.827 -11.476 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.040 -12.677 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.803 -11.303 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.299 -13.030 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.390 -11.639 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.650 -12.970 0.362 1.00 0.00 H new ATOM 359 N ALA A 22 -2.259 -8.552 1.937 1.00 0.00 N ATOM 360 CA ALA A 22 -1.286 -8.915 0.920 1.00 0.00 C ATOM 361 C ALA A 22 0.135 -8.531 1.350 1.00 0.00 C ATOM 362 O ALA A 22 1.069 -9.279 1.076 1.00 0.00 O ATOM 363 CB ALA A 22 -1.645 -8.219 -0.399 1.00 0.00 C ATOM 0 H ALA A 22 -2.882 -7.793 1.660 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.312 -9.996 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.917 -8.490 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.639 -8.533 -0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.635 -7.139 -0.255 1.00 0.00 H new ATOM 369 N LEU A 23 0.316 -7.357 1.966 1.00 0.00 N ATOM 370 CA LEU A 23 1.611 -6.819 2.381 1.00 0.00 C ATOM 371 C LEU A 23 2.252 -7.684 3.470 1.00 0.00 C ATOM 372 O LEU A 23 3.449 -7.945 3.404 1.00 0.00 O ATOM 373 CB LEU A 23 1.475 -5.398 2.932 1.00 0.00 C ATOM 374 CG LEU A 23 1.084 -4.245 2.007 1.00 0.00 C ATOM 375 CD1 LEU A 23 1.116 -2.944 2.825 1.00 0.00 C ATOM 376 CD2 LEU A 23 2.010 -4.120 0.798 1.00 0.00 C ATOM 0 H LEU A 23 -0.461 -6.738 2.195 1.00 0.00 H new ATOM 0 HA LEU A 23 2.240 -6.814 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.738 -5.432 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.430 -5.136 3.388 1.00 0.00 H new ATOM 0 HG LEU A 23 0.086 -4.442 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.840 -2.105 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.410 -3.017 3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.120 -2.786 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.686 -3.286 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.031 -3.944 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.975 -5.041 0.216 1.00 0.00 H new ATOM 388 N GLU A 24 1.497 -8.095 4.489 1.00 0.00 N ATOM 389 CA GLU A 24 1.976 -8.977 5.554 1.00 0.00 C ATOM 390 C GLU A 24 2.534 -10.280 4.960 1.00 0.00 C ATOM 391 O GLU A 24 3.591 -10.751 5.379 1.00 0.00 O ATOM 392 CB GLU A 24 0.860 -9.262 6.577 1.00 0.00 C ATOM 393 CG GLU A 24 0.389 -7.982 7.289 1.00 0.00 C ATOM 394 CD GLU A 24 0.171 -8.163 8.787 1.00 0.00 C ATOM 395 OE1 GLU A 24 -0.867 -8.741 9.189 1.00 0.00 O ATOM 396 OE2 GLU A 24 0.998 -7.645 9.568 1.00 0.00 O ATOM 0 H GLU A 24 0.521 -7.821 4.600 1.00 0.00 H new ATOM 0 HA GLU A 24 2.785 -8.472 6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.014 -9.727 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.221 -9.977 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.126 -7.195 7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.541 -7.644 6.833 1.00 0.00 H new ATOM 403 N GLU A 25 1.885 -10.848 3.935 1.00 0.00 N ATOM 404 CA GLU A 25 2.396 -12.033 3.240 1.00 0.00 C ATOM 405 C GLU A 25 3.588 -11.663 2.341 1.00 0.00 C ATOM 406 O GLU A 25 4.532 -12.444 2.195 1.00 0.00 O ATOM 407 CB GLU A 25 1.279 -12.729 2.446 1.00 0.00 C ATOM 408 CG GLU A 25 0.164 -13.287 3.358 1.00 0.00 C ATOM 409 CD GLU A 25 -0.263 -14.700 2.949 1.00 0.00 C ATOM 410 OE1 GLU A 25 0.566 -15.636 3.093 1.00 0.00 O ATOM 411 OE2 GLU A 25 -1.387 -14.900 2.431 1.00 0.00 O ATOM 0 H GLU A 25 0.999 -10.501 3.568 1.00 0.00 H new ATOM 0 HA GLU A 25 2.754 -12.743 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.846 -12.022 1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.707 -13.543 1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.513 -13.299 4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.700 -12.623 3.321 1.00 0.00 H new ATOM 418 N LEU A 26 3.618 -10.433 1.819 1.00 0.00 N ATOM 419 CA LEU A 26 4.785 -9.815 1.182 1.00 0.00 C ATOM 420 C LEU A 26 5.948 -9.662 2.178 1.00 0.00 C ATOM 421 O LEU A 26 7.066 -9.376 1.762 1.00 0.00 O ATOM 422 CB LEU A 26 4.395 -8.438 0.591 1.00 0.00 C ATOM 423 CG LEU A 26 4.861 -8.119 -0.841 1.00 0.00 C ATOM 424 CD1 LEU A 26 4.241 -6.778 -1.257 1.00 0.00 C ATOM 425 CD2 LEU A 26 6.367 -7.971 -1.037 1.00 0.00 C ATOM 0 H LEU A 26 2.803 -9.820 1.829 1.00 0.00 H new ATOM 0 HA LEU A 26 5.121 -10.468 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.308 -8.357 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.788 -7.665 1.252 1.00 0.00 H new ATOM 0 HG LEU A 26 4.546 -8.976 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.557 -6.530 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.154 -6.854 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.571 -5.997 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.578 -7.747 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.737 -7.159 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.863 -8.900 -0.758 1.00 0.00 H new ATOM 437 N GLY A 27 5.729 -9.871 3.481 1.00 0.00 N ATOM 438 CA GLY A 27 6.776 -9.854 4.492 1.00 0.00 C ATOM 439 C GLY A 27 7.295 -8.446 4.753 1.00 0.00 C ATOM 440 O GLY A 27 8.485 -8.288 5.039 1.00 0.00 O ATOM 0 H GLY A 27 4.802 -10.059 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.391 -10.276 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.600 -10.490 4.171 1.00 0.00 H new ATOM 444 N VAL A 28 6.443 -7.423 4.629 1.00 0.00 N ATOM 445 CA VAL A 28 6.760 -6.083 5.118 1.00 0.00 C ATOM 446 C VAL A 28 6.889 -6.130 6.652 1.00 0.00 C ATOM 447 O VAL A 28 6.382 -7.049 7.296 1.00 0.00 O ATOM 448 CB VAL A 28 5.675 -5.096 4.632 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.334 -5.293 5.354 1.00 0.00 C ATOM 450 CG2 VAL A 28 6.094 -3.627 4.782 1.00 0.00 C ATOM 0 H VAL A 28 5.525 -7.501 4.191 1.00 0.00 H new ATOM 0 HA VAL A 28 7.713 -5.731 4.722 1.00 0.00 H new ATOM 0 HB VAL A 28 5.553 -5.324 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.608 -4.574 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.970 -6.305 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.471 -5.140 6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.292 -2.981 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.293 -3.411 5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.995 -3.444 4.197 1.00 0.00 H new ATOM 460 N LYS A 29 7.485 -5.100 7.261 1.00 0.00 N ATOM 461 CA LYS A 29 7.535 -4.967 8.722 1.00 0.00 C ATOM 462 C LYS A 29 7.091 -3.612 9.239 1.00 0.00 C ATOM 463 O LYS A 29 6.757 -3.510 10.416 1.00 0.00 O ATOM 464 CB LYS A 29 8.951 -5.300 9.213 1.00 0.00 C ATOM 465 CG LYS A 29 9.017 -6.652 9.926 1.00 0.00 C ATOM 466 CD LYS A 29 10.001 -7.566 9.222 1.00 0.00 C ATOM 467 CE LYS A 29 9.415 -8.121 7.929 1.00 0.00 C ATOM 468 NZ LYS A 29 10.275 -9.167 7.352 1.00 0.00 N ATOM 0 H LYS A 29 7.944 -4.339 6.760 1.00 0.00 H new ATOM 0 HA LYS A 29 6.814 -5.677 9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.635 -5.306 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.291 -4.517 9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.319 -6.510 10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.029 -7.112 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.917 -7.017 9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.273 -8.389 9.883 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.424 -8.530 8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.290 -7.313 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.051 -9.283 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.273 -8.892 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.110 -10.065 7.849 1.00 0.00 H new ATOM 482 N ASN A 30 7.039 -2.582 8.404 1.00 0.00 N ATOM 483 CA ASN A 30 6.581 -1.260 8.792 1.00 0.00 C ATOM 484 C ASN A 30 5.815 -0.763 7.593 1.00 0.00 C ATOM 485 O ASN A 30 6.341 -0.759 6.478 1.00 0.00 O ATOM 486 CB ASN A 30 7.765 -0.354 9.134 1.00 0.00 C ATOM 487 CG ASN A 30 8.235 -0.573 10.556 1.00 0.00 C ATOM 488 OD1 ASN A 30 7.491 -0.403 11.511 1.00 0.00 O ATOM 489 ND2 ASN A 30 9.481 -0.980 10.716 1.00 0.00 N ATOM 0 H ASN A 30 7.318 -2.645 7.425 1.00 0.00 H new ATOM 0 HA ASN A 30 5.960 -1.272 9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.586 -0.549 8.444 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.478 0.689 9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.842 -1.160 11.653 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.082 -1.114 9.903 1.00 0.00 H new ATOM 496 N TYR A 31 4.544 -0.472 7.804 1.00 0.00 N ATOM 497 CA TYR A 31 3.618 -0.007 6.797 1.00 0.00 C ATOM 498 C TYR A 31 2.492 0.703 7.539 1.00 0.00 C ATOM 499 O TYR A 31 2.360 0.561 8.759 1.00 0.00 O ATOM 500 CB TYR A 31 3.089 -1.198 5.974 1.00 0.00 C ATOM 501 CG TYR A 31 2.130 -2.092 6.738 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.593 -3.148 7.541 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.762 -1.781 6.726 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.718 -3.812 8.418 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.122 -2.428 7.600 1.00 0.00 C ATOM 506 CZ TYR A 31 0.361 -3.405 8.500 1.00 0.00 C ATOM 507 OH TYR A 31 -0.505 -3.988 9.372 1.00 0.00 O ATOM 0 H TYR A 31 4.114 -0.559 8.725 1.00 0.00 H new ATOM 0 HA TYR A 31 4.096 0.674 6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.587 -0.818 5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.934 -1.796 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.628 -3.451 7.484 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.387 -1.037 6.038 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.077 -4.629 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.173 -2.180 7.586 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.389 -3.574 9.282 1.00 0.00 H new ATOM 517 N GLU A 32 1.637 1.392 6.795 1.00 0.00 N ATOM 518 CA GLU A 32 0.369 1.917 7.292 1.00 0.00 C ATOM 519 C GLU A 32 -0.640 1.968 6.151 1.00 0.00 C ATOM 520 O GLU A 32 -0.248 1.976 4.986 1.00 0.00 O ATOM 521 CB GLU A 32 0.558 3.326 7.876 1.00 0.00 C ATOM 522 CG GLU A 32 1.000 3.308 9.349 1.00 0.00 C ATOM 523 CD GLU A 32 0.209 4.358 10.119 1.00 0.00 C ATOM 524 OE1 GLU A 32 0.567 5.556 10.070 1.00 0.00 O ATOM 525 OE2 GLU A 32 -0.860 3.999 10.670 1.00 0.00 O ATOM 0 H GLU A 32 1.807 1.606 5.812 1.00 0.00 H new ATOM 0 HA GLU A 32 0.002 1.260 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.301 3.862 7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.378 3.879 7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.833 2.321 9.780 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.068 3.512 9.424 1.00 0.00 H new ATOM 532 N VAL A 33 -1.933 2.073 6.464 1.00 0.00 N ATOM 533 CA VAL A 33 -3.013 2.219 5.496 1.00 0.00 C ATOM 534 C VAL A 33 -4.071 3.150 6.101 1.00 0.00 C ATOM 535 O VAL A 33 -4.366 3.047 7.292 1.00 0.00 O ATOM 536 CB VAL A 33 -3.600 0.832 5.147 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.663 1.005 4.057 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.555 -0.190 4.663 1.00 0.00 C ATOM 0 H VAL A 33 -2.264 2.058 7.429 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.646 2.655 4.567 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.021 0.433 6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.085 0.033 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.455 1.660 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.207 1.446 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.048 -1.136 4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.067 0.187 3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.809 -0.345 5.443 1.00 0.00 H new ATOM 548 N SER A 34 -4.693 4.006 5.285 1.00 0.00 N ATOM 549 CA SER A 34 -5.643 5.014 5.731 1.00 0.00 C ATOM 550 C SER A 34 -6.830 5.134 4.778 1.00 0.00 C ATOM 551 O SER A 34 -6.637 5.437 3.601 1.00 0.00 O ATOM 552 CB SER A 34 -4.906 6.347 5.836 1.00 0.00 C ATOM 553 OG SER A 34 -4.227 6.451 7.067 1.00 0.00 O ATOM 0 H SER A 34 -4.543 4.013 4.276 1.00 0.00 H new ATOM 0 HA SER A 34 -6.046 4.723 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.195 6.440 5.015 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.616 7.168 5.737 1.00 0.00 H new ATOM 0 HG SER A 34 -4.126 7.396 7.306 1.00 0.00 H new ATOM 559 N VAL A 35 -8.044 4.917 5.290 1.00 0.00 N ATOM 560 CA VAL A 35 -9.302 5.039 4.554 1.00 0.00 C ATOM 561 C VAL A 35 -9.615 6.501 4.227 1.00 0.00 C ATOM 562 O VAL A 35 -10.024 6.786 3.100 1.00 0.00 O ATOM 563 CB VAL A 35 -10.432 4.362 5.356 1.00 0.00 C ATOM 564 CG1 VAL A 35 -11.799 4.492 4.677 1.00 0.00 C ATOM 565 CG2 VAL A 35 -10.158 2.867 5.578 1.00 0.00 C ATOM 0 H VAL A 35 -8.181 4.642 6.263 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.211 4.527 3.596 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.454 4.886 6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.556 3.997 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.053 5.547 4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.762 4.025 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.977 2.427 6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.075 2.365 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.227 2.746 6.131 1.00 0.00 H new ATOM 575 N GLU A 36 -9.418 7.430 5.168 1.00 0.00 N ATOM 576 CA GLU A 36 -9.705 8.846 4.936 1.00 0.00 C ATOM 577 C GLU A 36 -8.704 9.412 3.935 1.00 0.00 C ATOM 578 O GLU A 36 -9.050 10.227 3.084 1.00 0.00 O ATOM 579 CB GLU A 36 -9.616 9.635 6.255 1.00 0.00 C ATOM 580 CG GLU A 36 -10.765 9.375 7.244 1.00 0.00 C ATOM 581 CD GLU A 36 -11.958 10.303 7.006 1.00 0.00 C ATOM 582 OE1 GLU A 36 -12.325 10.551 5.838 1.00 0.00 O ATOM 583 OE2 GLU A 36 -12.566 10.801 7.981 1.00 0.00 O ATOM 0 H GLU A 36 -9.059 7.224 6.100 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.715 8.939 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.673 9.391 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.589 10.700 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.090 8.339 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.401 9.508 8.263 1.00 0.00 H new ATOM 590 N GLU A 37 -7.443 8.994 4.044 1.00 0.00 N ATOM 591 CA GLU A 37 -6.356 9.580 3.271 1.00 0.00 C ATOM 592 C GLU A 37 -6.167 8.870 1.929 1.00 0.00 C ATOM 593 O GLU A 37 -5.470 9.397 1.062 1.00 0.00 O ATOM 594 CB GLU A 37 -5.056 9.566 4.090 1.00 0.00 C ATOM 595 CG GLU A 37 -5.182 10.249 5.462 1.00 0.00 C ATOM 596 CD GLU A 37 -3.945 10.019 6.322 1.00 0.00 C ATOM 597 OE1 GLU A 37 -2.978 10.804 6.221 1.00 0.00 O ATOM 598 OE2 GLU A 37 -3.913 9.002 7.060 1.00 0.00 O ATOM 0 H GLU A 37 -7.150 8.243 4.669 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.620 10.614 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.740 8.533 4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.271 10.061 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.335 11.319 5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.061 9.866 5.980 1.00 0.00 H new ATOM 605 N LYS A 38 -6.752 7.675 1.755 1.00 0.00 N ATOM 606 CA LYS A 38 -6.513 6.760 0.632 1.00 0.00 C ATOM 607 C LYS A 38 -5.020 6.593 0.354 1.00 0.00 C ATOM 608 O LYS A 38 -4.587 6.437 -0.788 1.00 0.00 O ATOM 609 CB LYS A 38 -7.325 7.203 -0.592 1.00 0.00 C ATOM 610 CG LYS A 38 -8.819 6.893 -0.391 1.00 0.00 C ATOM 611 CD LYS A 38 -9.730 7.802 -1.220 1.00 0.00 C ATOM 612 CE LYS A 38 -9.676 9.230 -0.659 1.00 0.00 C ATOM 613 NZ LYS A 38 -10.713 10.090 -1.252 1.00 0.00 N ATOM 0 H LYS A 38 -7.432 7.306 2.420 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.867 5.764 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.189 8.272 -0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.959 6.693 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.009 5.854 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.069 7.001 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.414 7.798 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.754 7.429 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.803 9.200 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.693 9.660 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.644 11.046 -0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.576 10.139 -2.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.652 9.694 -1.046 1.00 0.00 H new ATOM 627 N LYS A 39 -4.210 6.613 1.412 1.00 0.00 N ATOM 628 CA LYS A 39 -2.768 6.480 1.319 1.00 0.00 C ATOM 629 C LYS A 39 -2.339 5.244 2.084 1.00 0.00 C ATOM 630 O LYS A 39 -2.974 4.828 3.063 1.00 0.00 O ATOM 631 CB LYS A 39 -2.053 7.773 1.766 1.00 0.00 C ATOM 632 CG LYS A 39 -1.724 8.674 0.560 1.00 0.00 C ATOM 633 CD LYS A 39 -1.230 10.067 0.958 1.00 0.00 C ATOM 634 CE LYS A 39 -2.400 10.995 1.299 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.996 12.064 2.228 1.00 0.00 N ATOM 0 H LYS A 39 -4.548 6.724 2.368 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.468 6.342 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.685 8.317 2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.134 7.519 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.963 8.188 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.614 8.776 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.564 9.987 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.648 10.496 0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.792 11.438 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.208 10.413 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.814 12.671 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.646 11.642 3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.242 12.634 1.794 1.00 0.00 H new ATOM 649 N VAL A 40 -1.228 4.679 1.647 1.00 0.00 N ATOM 650 CA VAL A 40 -0.519 3.571 2.257 1.00 0.00 C ATOM 651 C VAL A 40 0.883 4.096 2.514 1.00 0.00 C ATOM 652 O VAL A 40 1.332 4.989 1.802 1.00 0.00 O ATOM 653 CB VAL A 40 -0.548 2.364 1.292 1.00 0.00 C ATOM 654 CG1 VAL A 40 0.336 1.175 1.697 1.00 0.00 C ATOM 655 CG2 VAL A 40 -1.989 1.867 1.146 1.00 0.00 C ATOM 0 H VAL A 40 -0.766 5.006 0.798 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.961 3.221 3.190 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.138 2.740 0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.243 0.383 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.375 1.498 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.018 0.799 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.013 1.016 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.370 1.563 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.611 2.668 0.747 1.00 0.00 H new ATOM 665 N VAL A 41 1.596 3.531 3.477 1.00 0.00 N ATOM 666 CA VAL A 41 3.043 3.639 3.549 1.00 0.00 C ATOM 667 C VAL A 41 3.569 2.213 3.584 1.00 0.00 C ATOM 668 O VAL A 41 2.892 1.336 4.118 1.00 0.00 O ATOM 669 CB VAL A 41 3.495 4.476 4.764 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.010 4.745 4.720 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.798 5.844 4.820 1.00 0.00 C ATOM 0 H VAL A 41 1.184 2.983 4.233 1.00 0.00 H new ATOM 0 HA VAL A 41 3.447 4.171 2.688 1.00 0.00 H new ATOM 0 HB VAL A 41 3.228 3.887 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.300 5.337 5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.548 3.797 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.256 5.292 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.149 6.396 5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.030 6.408 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.720 5.700 4.891 1.00 0.00 H new ATOM 681 N VAL A 42 4.748 1.981 3.020 1.00 0.00 N ATOM 682 CA VAL A 42 5.516 0.754 3.124 1.00 0.00 C ATOM 683 C VAL A 42 6.968 1.168 3.327 1.00 0.00 C ATOM 684 O VAL A 42 7.463 2.032 2.609 1.00 0.00 O ATOM 685 CB VAL A 42 5.343 -0.123 1.867 1.00 0.00 C ATOM 686 CG1 VAL A 42 4.027 -0.904 1.941 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.404 0.667 0.546 1.00 0.00 C ATOM 0 H VAL A 42 5.216 2.684 2.448 1.00 0.00 H new ATOM 0 HA VAL A 42 5.170 0.145 3.960 1.00 0.00 H new ATOM 0 HB VAL A 42 6.191 -0.808 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.918 -1.519 1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.033 -1.544 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.193 -0.206 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.275 -0.017 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.610 1.414 0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.371 1.164 0.463 1.00 0.00 H new ATOM 697 N GLU A 43 7.633 0.586 4.314 1.00 0.00 N ATOM 698 CA GLU A 43 9.042 0.778 4.622 1.00 0.00 C ATOM 699 C GLU A 43 9.730 -0.530 4.226 1.00 0.00 C ATOM 700 O GLU A 43 9.811 -1.468 5.024 1.00 0.00 O ATOM 701 CB GLU A 43 9.159 1.101 6.113 1.00 0.00 C ATOM 702 CG GLU A 43 10.562 1.435 6.636 1.00 0.00 C ATOM 703 CD GLU A 43 10.645 1.134 8.146 1.00 0.00 C ATOM 704 OE1 GLU A 43 10.165 1.970 8.949 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.103 0.023 8.529 1.00 0.00 O ATOM 0 H GLU A 43 7.181 -0.066 4.954 1.00 0.00 H new ATOM 0 HA GLU A 43 9.512 1.603 4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.504 1.945 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.779 0.249 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.309 0.851 6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.787 2.486 6.453 1.00 0.00 H new ATOM 712 N THR A 44 10.143 -0.644 2.967 1.00 0.00 N ATOM 713 CA THR A 44 10.764 -1.843 2.422 1.00 0.00 C ATOM 714 C THR A 44 11.873 -1.428 1.451 1.00 0.00 C ATOM 715 O THR A 44 11.982 -0.251 1.104 1.00 0.00 O ATOM 716 CB THR A 44 9.632 -2.695 1.832 1.00 0.00 C ATOM 717 OG1 THR A 44 9.968 -4.062 1.805 1.00 0.00 O ATOM 718 CG2 THR A 44 9.202 -2.240 0.433 1.00 0.00 C ATOM 0 H THR A 44 10.053 0.110 2.286 1.00 0.00 H new ATOM 0 HA THR A 44 11.270 -2.463 3.162 1.00 0.00 H new ATOM 0 HB THR A 44 8.783 -2.550 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.224 -4.574 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.399 -2.883 0.072 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.850 -1.209 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.051 -2.304 -0.247 1.00 0.00 H new ATOM 726 N GLU A 45 12.712 -2.361 1.006 1.00 0.00 N ATOM 727 CA GLU A 45 13.833 -2.007 0.147 1.00 0.00 C ATOM 728 C GLU A 45 13.431 -1.989 -1.325 1.00 0.00 C ATOM 729 O GLU A 45 14.008 -1.244 -2.119 1.00 0.00 O ATOM 730 CB GLU A 45 15.013 -2.954 0.394 1.00 0.00 C ATOM 731 CG GLU A 45 16.262 -2.134 0.734 1.00 0.00 C ATOM 732 CD GLU A 45 17.489 -3.033 0.836 1.00 0.00 C ATOM 733 OE1 GLU A 45 17.608 -3.789 1.829 1.00 0.00 O ATOM 734 OE2 GLU A 45 18.361 -3.001 -0.059 1.00 0.00 O ATOM 0 H GLU A 45 12.637 -3.355 1.224 1.00 0.00 H new ATOM 0 HA GLU A 45 14.147 -0.995 0.402 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.780 -3.638 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.195 -3.564 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.424 -1.376 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.112 -1.608 1.677 1.00 0.00 H new ATOM 741 N ASN A 46 12.452 -2.810 -1.701 1.00 0.00 N ATOM 742 CA ASN A 46 12.117 -3.091 -3.093 1.00 0.00 C ATOM 743 C ASN A 46 10.659 -2.717 -3.350 1.00 0.00 C ATOM 744 O ASN A 46 9.773 -3.578 -3.419 1.00 0.00 O ATOM 745 CB ASN A 46 12.473 -4.544 -3.447 1.00 0.00 C ATOM 746 CG ASN A 46 12.435 -4.771 -4.953 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.251 -4.866 -5.514 1.00 0.00 O flip ATOM 748 ND2 ASN A 46 13.465 -4.869 -5.610 1.00 0.00 N flip ATOM 0 H ASN A 46 11.860 -3.306 -1.035 1.00 0.00 H new ATOM 0 HA ASN A 46 12.715 -2.476 -3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.467 -4.781 -3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.774 -5.222 -2.957 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.372 -4.792 -5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.415 -5.028 -6.616 1.00 0.00 H new ATOM 755 N LEU A 47 10.422 -1.405 -3.471 1.00 0.00 N ATOM 756 CA LEU A 47 9.125 -0.789 -3.744 1.00 0.00 C ATOM 757 C LEU A 47 8.425 -1.476 -4.911 1.00 0.00 C ATOM 758 O LEU A 47 7.228 -1.727 -4.840 1.00 0.00 O ATOM 759 CB LEU A 47 9.318 0.709 -4.050 1.00 0.00 C ATOM 760 CG LEU A 47 8.022 1.454 -4.436 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.981 1.410 -3.313 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.335 2.914 -4.762 1.00 0.00 C ATOM 0 H LEU A 47 11.167 -0.715 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 47 8.496 -0.903 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.754 1.193 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.037 0.812 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 47 7.608 0.950 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.085 1.946 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.726 0.373 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.391 1.880 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.415 3.432 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.778 3.395 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.036 2.958 -5.596 1.00 0.00 H new ATOM 774 N ASP A 48 9.167 -1.815 -5.960 1.00 0.00 N ATOM 775 CA ASP A 48 8.656 -2.461 -7.167 1.00 0.00 C ATOM 776 C ASP A 48 7.826 -3.713 -6.853 1.00 0.00 C ATOM 777 O ASP A 48 6.803 -3.958 -7.492 1.00 0.00 O ATOM 778 CB ASP A 48 9.850 -2.757 -8.102 1.00 0.00 C ATOM 779 CG ASP A 48 9.815 -4.133 -8.768 1.00 0.00 C ATOM 780 OD1 ASP A 48 10.189 -5.115 -8.090 1.00 0.00 O ATOM 781 OD2 ASP A 48 9.444 -4.234 -9.958 1.00 0.00 O ATOM 0 H ASP A 48 10.172 -1.643 -5.996 1.00 0.00 H new ATOM 0 HA ASP A 48 7.964 -1.788 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.883 -1.993 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.773 -2.669 -7.529 1.00 0.00 H new ATOM 786 N SER A 49 8.194 -4.473 -5.823 1.00 0.00 N ATOM 787 CA SER A 49 7.477 -5.686 -5.444 1.00 0.00 C ATOM 788 C SER A 49 6.130 -5.350 -4.799 1.00 0.00 C ATOM 789 O SER A 49 5.150 -6.076 -4.980 1.00 0.00 O ATOM 790 CB SER A 49 8.344 -6.571 -4.554 1.00 0.00 C ATOM 791 OG SER A 49 8.619 -7.789 -5.209 1.00 0.00 O ATOM 0 H SER A 49 8.997 -4.264 -5.229 1.00 0.00 H new ATOM 0 HA SER A 49 7.259 -6.256 -6.347 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.276 -6.059 -4.314 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.834 -6.763 -3.610 1.00 0.00 H new ATOM 0 HG SER A 49 9.177 -8.352 -4.633 1.00 0.00 H new ATOM 797 N VAL A 50 6.070 -4.228 -4.077 1.00 0.00 N ATOM 798 CA VAL A 50 4.850 -3.691 -3.503 1.00 0.00 C ATOM 799 C VAL A 50 3.946 -3.211 -4.636 1.00 0.00 C ATOM 800 O VAL A 50 2.792 -3.622 -4.656 1.00 0.00 O ATOM 801 CB VAL A 50 5.135 -2.579 -2.477 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.819 -2.166 -1.809 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.156 -2.978 -1.399 1.00 0.00 C ATOM 0 H VAL A 50 6.893 -3.660 -3.875 1.00 0.00 H new ATOM 0 HA VAL A 50 4.339 -4.477 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 50 5.578 -1.748 -3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.012 -1.378 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.126 -1.798 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.381 -3.027 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.305 -2.144 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.783 -3.841 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.104 -3.232 -1.872 1.00 0.00 H new ATOM 813 N LEU A 51 4.421 -2.391 -5.588 1.00 0.00 N ATOM 814 CA LEU A 51 3.630 -1.972 -6.744 1.00 0.00 C ATOM 815 C LEU A 51 3.048 -3.191 -7.443 1.00 0.00 C ATOM 816 O LEU A 51 1.879 -3.174 -7.828 1.00 0.00 O ATOM 817 CB LEU A 51 4.539 -1.245 -7.739 1.00 0.00 C ATOM 818 CG LEU A 51 4.979 0.179 -7.369 1.00 0.00 C ATOM 819 CD1 LEU A 51 4.177 1.211 -8.171 1.00 0.00 C ATOM 820 CD2 LEU A 51 4.895 0.593 -5.897 1.00 0.00 C ATOM 0 H LEU A 51 5.364 -2.003 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 51 2.827 -1.317 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.434 -1.849 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.025 -1.202 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 51 6.042 0.159 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.500 2.215 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.344 1.053 -9.237 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.116 1.099 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.238 1.622 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.863 0.516 -5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.525 -0.064 -5.298 1.00 0.00 H new ATOM 832 N LYS A 52 3.851 -4.251 -7.568 1.00 0.00 N ATOM 833 CA LYS A 52 3.430 -5.468 -8.221 1.00 0.00 C ATOM 834 C LYS A 52 2.294 -6.084 -7.440 1.00 0.00 C ATOM 835 O LYS A 52 1.234 -6.282 -8.017 1.00 0.00 O ATOM 836 CB LYS A 52 4.585 -6.460 -8.451 1.00 0.00 C ATOM 837 CG LYS A 52 4.398 -6.978 -9.877 1.00 0.00 C ATOM 838 CD LYS A 52 5.296 -8.142 -10.291 1.00 0.00 C ATOM 839 CE LYS A 52 5.491 -8.134 -11.817 1.00 0.00 C ATOM 840 NZ LYS A 52 4.217 -7.952 -12.548 1.00 0.00 N ATOM 0 H LYS A 52 4.808 -4.278 -7.216 1.00 0.00 H new ATOM 0 HA LYS A 52 3.077 -5.213 -9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.552 -5.971 -8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.552 -7.276 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.359 -7.286 -9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.567 -6.152 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.262 -8.064 -9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.851 -9.086 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.180 -7.334 -12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.953 -9.071 -12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.343 -8.236 -13.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.479 -8.540 -12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.933 -6.952 -12.507 1.00 0.00 H new ATOM 854 N LYS A 53 2.489 -6.355 -6.144 1.00 0.00 N ATOM 855 CA LYS A 53 1.457 -6.969 -5.317 1.00 0.00 C ATOM 856 C LYS A 53 0.177 -6.140 -5.371 1.00 0.00 C ATOM 857 O LYS A 53 -0.892 -6.728 -5.467 1.00 0.00 O ATOM 858 CB LYS A 53 1.974 -7.154 -3.878 1.00 0.00 C ATOM 859 CG LYS A 53 0.987 -7.871 -2.939 1.00 0.00 C ATOM 860 CD LYS A 53 0.744 -9.356 -3.269 1.00 0.00 C ATOM 861 CE LYS A 53 1.253 -10.288 -2.154 1.00 0.00 C ATOM 862 NZ LYS A 53 0.597 -11.608 -2.219 1.00 0.00 N ATOM 0 H LYS A 53 3.358 -6.156 -5.648 1.00 0.00 H new ATOM 0 HA LYS A 53 1.217 -7.959 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.905 -7.720 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.210 -6.175 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.360 -7.797 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.032 -7.346 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.322 -9.523 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.243 -9.605 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.332 -10.411 -2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.064 -9.833 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.960 -12.214 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.431 -11.491 -2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.798 -12.051 -3.138 1.00 0.00 H new ATOM 876 N LEU A 54 0.265 -4.809 -5.298 1.00 0.00 N ATOM 877 CA LEU A 54 -0.890 -3.921 -5.349 1.00 0.00 C ATOM 878 C LEU A 54 -1.663 -4.134 -6.651 1.00 0.00 C ATOM 879 O LEU A 54 -2.865 -4.387 -6.621 1.00 0.00 O ATOM 880 CB LEU A 54 -0.408 -2.473 -5.177 1.00 0.00 C ATOM 881 CG LEU A 54 -0.378 -1.964 -3.724 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.750 -1.424 -3.300 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.088 -2.965 -2.655 1.00 0.00 C ATOM 0 H LEU A 54 1.153 -4.316 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.582 -4.145 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.594 -2.388 -5.596 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.055 -1.819 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 54 0.380 -1.182 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.700 -1.071 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.034 -0.598 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.493 -2.218 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.065 -2.488 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.575 -3.830 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.105 -3.288 -2.878 1.00 0.00 H new ATOM 895 N GLU A 55 -0.999 -4.073 -7.802 1.00 0.00 N ATOM 896 CA GLU A 55 -1.641 -4.200 -9.089 1.00 0.00 C ATOM 897 C GLU A 55 -2.138 -5.641 -9.308 1.00 0.00 C ATOM 898 O GLU A 55 -3.190 -5.863 -9.910 1.00 0.00 O ATOM 899 CB GLU A 55 -0.590 -3.741 -10.108 1.00 0.00 C ATOM 900 CG GLU A 55 -1.219 -3.066 -11.315 1.00 0.00 C ATOM 901 CD GLU A 55 -0.247 -2.056 -11.934 1.00 0.00 C ATOM 902 OE1 GLU A 55 0.687 -2.484 -12.643 1.00 0.00 O ATOM 903 OE2 GLU A 55 -0.365 -0.839 -11.646 1.00 0.00 O ATOM 0 H GLU A 55 0.010 -3.932 -7.858 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.539 -3.590 -9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.103 -3.050 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.006 -4.600 -10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.494 -3.816 -12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.138 -2.560 -11.018 1.00 0.00 H new ATOM 910 N GLU A 56 -1.443 -6.638 -8.754 1.00 0.00 N ATOM 911 CA GLU A 56 -1.829 -8.029 -8.773 1.00 0.00 C ATOM 912 C GLU A 56 -3.085 -8.285 -7.938 1.00 0.00 C ATOM 913 O GLU A 56 -3.816 -9.240 -8.209 1.00 0.00 O ATOM 914 CB GLU A 56 -0.668 -8.885 -8.249 1.00 0.00 C ATOM 915 CG GLU A 56 -0.733 -10.281 -8.856 1.00 0.00 C ATOM 916 CD GLU A 56 0.052 -11.297 -8.034 1.00 0.00 C ATOM 917 OE1 GLU A 56 1.302 -11.302 -8.056 1.00 0.00 O ATOM 918 OE2 GLU A 56 -0.569 -12.129 -7.331 1.00 0.00 O ATOM 0 H GLU A 56 -0.563 -6.479 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.061 -8.302 -9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.283 -8.415 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.715 -8.950 -7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.774 -10.598 -8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.339 -10.254 -9.872 1.00 0.00 H new ATOM 925 N ILE A 57 -3.352 -7.471 -6.909 1.00 0.00 N ATOM 926 CA ILE A 57 -4.571 -7.565 -6.114 1.00 0.00 C ATOM 927 C ILE A 57 -5.688 -6.685 -6.685 1.00 0.00 C ATOM 928 O ILE A 57 -6.664 -6.476 -5.970 1.00 0.00 O ATOM 929 CB ILE A 57 -4.343 -7.345 -4.598 1.00 0.00 C ATOM 930 CG1 ILE A 57 -3.981 -5.901 -4.207 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.378 -8.382 -4.000 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.437 -5.503 -2.801 1.00 0.00 C ATOM 0 H ILE A 57 -2.722 -6.727 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.907 -8.599 -6.195 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.318 -7.511 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.900 -5.777 -4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.427 -5.217 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.249 -8.187 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.787 -9.383 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.413 -8.312 -4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.144 -4.472 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.521 -5.592 -2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.971 -6.161 -2.067 1.00 0.00 H new ATOM 944 N ASP A 58 -5.593 -6.209 -7.934 1.00 0.00 N ATOM 945 CA ASP A 58 -6.611 -5.407 -8.640 1.00 0.00 C ATOM 946 C ASP A 58 -6.627 -3.958 -8.143 1.00 0.00 C ATOM 947 O ASP A 58 -7.590 -3.238 -8.409 1.00 0.00 O ATOM 948 CB ASP A 58 -8.006 -6.060 -8.486 1.00 0.00 C ATOM 949 CG ASP A 58 -9.121 -5.533 -9.383 1.00 0.00 C ATOM 950 OD1 ASP A 58 -9.020 -5.657 -10.624 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.180 -5.156 -8.818 1.00 0.00 O ATOM 0 H ASP A 58 -4.768 -6.378 -8.509 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.351 -5.384 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.901 -7.129 -8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.322 -5.943 -7.449 1.00 0.00 H new ATOM 956 N TYR A 59 -5.593 -3.529 -7.399 1.00 0.00 N ATOM 957 CA TYR A 59 -5.535 -2.208 -6.795 1.00 0.00 C ATOM 958 C TYR A 59 -4.370 -1.401 -7.407 1.00 0.00 C ATOM 959 O TYR A 59 -3.286 -1.345 -6.819 1.00 0.00 O ATOM 960 CB TYR A 59 -5.440 -2.276 -5.256 1.00 0.00 C ATOM 961 CG TYR A 59 -6.712 -2.549 -4.457 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.616 -3.576 -4.801 1.00 0.00 C ATOM 963 CD2 TYR A 59 -6.966 -1.790 -3.299 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.756 -3.834 -4.015 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.061 -2.083 -2.475 1.00 0.00 C ATOM 966 CZ TYR A 59 -8.981 -3.080 -2.842 1.00 0.00 C ATOM 967 OH TYR A 59 -10.038 -3.314 -2.023 1.00 0.00 O ATOM 0 H TYR A 59 -4.772 -4.103 -7.205 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.468 -1.691 -7.018 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.717 -3.052 -5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.027 -1.329 -4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.431 -4.174 -5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.309 -0.972 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.454 -4.604 -4.308 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.199 -1.539 -1.552 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.584 -2.503 -1.954 1.00 0.00 H new ATOM 977 N PRO A 60 -4.551 -0.770 -8.577 1.00 0.00 N ATOM 978 CA PRO A 60 -3.526 0.042 -9.222 1.00 0.00 C ATOM 979 C PRO A 60 -3.336 1.344 -8.435 1.00 0.00 C ATOM 980 O PRO A 60 -4.275 2.131 -8.287 1.00 0.00 O ATOM 981 CB PRO A 60 -4.045 0.299 -10.640 1.00 0.00 C ATOM 982 CG PRO A 60 -5.567 0.257 -10.470 1.00 0.00 C ATOM 983 CD PRO A 60 -5.764 -0.795 -9.374 1.00 0.00 C ATOM 0 HA PRO A 60 -2.552 -0.446 -9.254 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.709 1.263 -11.023 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.697 -0.461 -11.340 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.967 1.227 -10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.069 -0.026 -11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.637 -0.565 -8.764 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.928 -1.783 -9.805 1.00 0.00 H new ATOM 991 N VAL A 61 -2.146 1.573 -7.883 1.00 0.00 N ATOM 992 CA VAL A 61 -1.820 2.834 -7.222 1.00 0.00 C ATOM 993 C VAL A 61 -1.878 3.953 -8.274 1.00 0.00 C ATOM 994 O VAL A 61 -1.568 3.724 -9.443 1.00 0.00 O ATOM 995 CB VAL A 61 -0.431 2.729 -6.546 1.00 0.00 C ATOM 996 CG1 VAL A 61 -0.174 3.957 -5.659 1.00 0.00 C ATOM 997 CG2 VAL A 61 -0.283 1.471 -5.669 1.00 0.00 C ATOM 0 H VAL A 61 -1.385 0.894 -7.881 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.537 3.063 -6.433 1.00 0.00 H new ATOM 0 HB VAL A 61 0.294 2.671 -7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.806 3.869 -5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.205 4.860 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.941 4.015 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.711 1.454 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.035 1.487 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.420 0.581 -6.283 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.258 5.165 -7.873 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.152 6.359 -8.695 1.00 0.00 C ATOM 1009 C GLU A 62 -0.673 6.777 -8.753 1.00 0.00 C ATOM 1010 O GLU A 62 -0.043 6.697 -9.808 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.088 7.445 -8.129 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.447 8.542 -9.151 1.00 0.00 C ATOM 1013 CD GLU A 62 -4.867 9.107 -8.956 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -5.860 8.345 -9.018 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -5.018 10.344 -8.789 1.00 0.00 O ATOM 0 H GLU A 62 -2.655 5.343 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.475 6.182 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.006 6.974 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.613 7.907 -7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.725 9.355 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.359 8.135 -10.158 1.00 0.00 H new ATOM 1022 N SER A 63 -0.083 7.171 -7.617 1.00 0.00 N ATOM 1023 CA SER A 63 1.309 7.615 -7.516 1.00 0.00 C ATOM 1024 C SER A 63 1.907 7.296 -6.137 1.00 0.00 C ATOM 1025 O SER A 63 1.184 6.999 -5.180 1.00 0.00 O ATOM 1026 CB SER A 63 1.416 9.121 -7.840 1.00 0.00 C ATOM 1027 OG SER A 63 0.192 9.833 -7.702 1.00 0.00 O ATOM 0 H SER A 63 -0.574 7.189 -6.723 1.00 0.00 H new ATOM 0 HA SER A 63 1.894 7.063 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.161 9.571 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.778 9.237 -8.861 1.00 0.00 H new ATOM 0 HG SER A 63 0.336 10.777 -7.921 1.00 0.00 H new ATOM 1033 N TYR A 64 3.233 7.385 -6.022 1.00 0.00 N ATOM 1034 CA TYR A 64 3.999 7.148 -4.801 1.00 0.00 C ATOM 1035 C TYR A 64 4.993 8.284 -4.559 1.00 0.00 C ATOM 1036 O TYR A 64 5.294 9.066 -5.464 1.00 0.00 O ATOM 1037 CB TYR A 64 4.713 5.784 -4.874 1.00 0.00 C ATOM 1038 CG TYR A 64 5.668 5.679 -6.052 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.910 6.341 -6.014 1.00 0.00 C ATOM 1040 CD2 TYR A 64 5.266 5.032 -7.234 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.699 6.437 -7.173 1.00 0.00 C ATOM 1042 CE2 TYR A 64 6.060 5.105 -8.393 1.00 0.00 C ATOM 1043 CZ TYR A 64 7.269 5.834 -8.377 1.00 0.00 C ATOM 1044 OH TYR A 64 7.976 6.004 -9.527 1.00 0.00 O ATOM 0 H TYR A 64 3.827 7.635 -6.813 1.00 0.00 H new ATOM 0 HA TYR A 64 3.312 7.124 -3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.265 5.619 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.967 4.992 -4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.258 6.777 -5.089 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.341 4.475 -7.252 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.636 6.973 -7.144 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.745 4.603 -9.296 1.00 0.00 H new ATOM 0 HH TYR A 64 7.537 5.518 -10.256 1.00 0.00 H new ATOM 1054 N GLN A 65 5.557 8.329 -3.356 1.00 0.00 N ATOM 1055 CA GLN A 65 6.557 9.291 -2.955 1.00 0.00 C ATOM 1056 C GLN A 65 7.449 8.651 -1.906 1.00 0.00 C ATOM 1057 O GLN A 65 6.950 7.997 -0.995 1.00 0.00 O ATOM 1058 CB GLN A 65 5.862 10.503 -2.318 1.00 0.00 C ATOM 1059 CG GLN A 65 6.426 11.807 -2.857 1.00 0.00 C ATOM 1060 CD GLN A 65 6.252 12.933 -1.841 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.410 13.815 -1.995 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.011 12.915 -0.753 1.00 0.00 N ATOM 0 H GLN A 65 5.317 7.671 -2.614 1.00 0.00 H new ATOM 0 HA GLN A 65 7.140 9.603 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.791 10.457 -2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.987 10.470 -1.236 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.483 11.682 -3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.922 12.069 -3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.708 12.181 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.897 13.635 -0.040 1.00 0.00 H new ATOM 1071 N GLU A 66 8.747 8.888 -1.989 1.00 0.00 N ATOM 1072 CA GLU A 66 9.719 8.661 -0.938 1.00 0.00 C ATOM 1073 C GLU A 66 9.449 9.632 0.212 1.00 0.00 C ATOM 1074 O GLU A 66 9.186 10.824 -0.028 1.00 0.00 O ATOM 1075 CB GLU A 66 11.109 8.890 -1.552 1.00 0.00 C ATOM 1076 CG GLU A 66 12.116 7.837 -1.098 1.00 0.00 C ATOM 1077 CD GLU A 66 13.324 7.843 -2.032 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.182 7.356 -3.176 1.00 0.00 O ATOM 1079 OE2 GLU A 66 14.380 8.412 -1.677 1.00 0.00 O ATOM 0 H GLU A 66 9.172 9.264 -2.837 1.00 0.00 H new ATOM 0 HA GLU A 66 9.657 7.649 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.032 8.873 -2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.470 9.880 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.434 8.041 -0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.650 6.851 -1.096 1.00 0.00 H new ATOM 1086 N VAL A 67 9.506 9.132 1.448 1.00 0.00 N ATOM 1087 CA VAL A 67 9.472 9.927 2.677 1.00 0.00 C ATOM 1088 C VAL A 67 10.489 9.335 3.650 1.00 0.00 C ATOM 1089 O VAL A 67 11.490 8.785 3.135 1.00 0.00 O ATOM 1090 CB VAL A 67 8.027 10.089 3.213 1.00 0.00 C ATOM 1091 CG1 VAL A 67 7.128 10.731 2.164 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.307 8.786 3.559 1.00 0.00 C ATOM 0 H VAL A 67 9.579 8.130 1.627 1.00 0.00 H new ATOM 0 HA VAL A 67 9.776 10.958 2.498 1.00 0.00 H new ATOM 0 HB VAL A 67 8.171 10.686 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.119 10.834 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.518 11.715 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.103 10.104 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.305 9.010 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.237 8.161 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.865 8.256 4.331 1.00 0.00 H new TER 1102 VAL A 67