USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 574 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 31 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -5.16! C(o=-5.2!,f=-8.8!) USER MOD Single : A 1 LYS N :NH3+ -150:sc= -0.215 (180deg=-1.05) USER MOD Single : A 1 LYS NZ :NH3+ -161:sc= -0.0113 (180deg=-0.228) USER MOD Single : A 4 SER OG : rot 180:sc= -0.105 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.0217 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 22 ASN : amide:sc= -3.51 K(o=-3.5,f=-17!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.618 K(o=-0.62,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.345 K(o=-0.34,f=-3.4!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0986 X(o=-0.099,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.011) USER MOD Single : A 48 GLN : amide:sc= -0.0769 K(o=-0.077,f=-1.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -1.050 -24.938 -8.779 1.00 0.00 N ATOM 2 CA LYS A 1 -1.326 -25.791 -7.589 1.00 0.00 C ATOM 3 C LYS A 1 -1.796 -24.910 -6.427 1.00 0.00 C ATOM 4 O LYS A 1 -0.988 -24.489 -5.599 1.00 0.00 O ATOM 5 CB LYS A 1 -0.049 -26.530 -7.184 1.00 0.00 C ATOM 6 CG LYS A 1 0.338 -27.521 -8.284 1.00 0.00 C ATOM 7 CD LYS A 1 -0.397 -28.844 -8.064 1.00 0.00 C ATOM 8 CE LYS A 1 0.305 -29.643 -6.963 1.00 0.00 C ATOM 9 NZ LYS A 1 1.557 -30.240 -7.507 1.00 0.00 N ATOM 0 H1 LYS A 1 -1.230 -25.483 -9.646 1.00 0.00 H new ATOM 0 H2 LYS A 1 -1.671 -24.104 -8.760 1.00 0.00 H new ATOM 0 H3 LYS A 1 -0.057 -24.631 -8.763 1.00 0.00 H new ATOM 0 HA LYS A 1 -2.103 -26.515 -7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.760 -25.818 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.204 -27.057 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.085 -27.111 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 1 1.415 -27.686 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.433 -28.654 -7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.416 -29.420 -8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 1 0.536 -28.994 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -0.354 -30.428 -6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.863 -31.023 -6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.381 -30.600 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.302 -29.515 -7.540 1.00 0.00 H new ATOM 25 N PRO A 2 -3.105 -24.618 -6.347 1.00 0.00 N ATOM 26 CA PRO A 2 -3.664 -23.778 -5.269 1.00 0.00 C ATOM 27 C PRO A 2 -3.938 -24.569 -3.992 1.00 0.00 C ATOM 28 O PRO A 2 -4.146 -25.782 -4.029 1.00 0.00 O ATOM 29 CB PRO A 2 -4.963 -23.273 -5.879 1.00 0.00 C ATOM 30 CG PRO A 2 -5.370 -24.270 -6.954 1.00 0.00 C ATOM 31 CD PRO A 2 -4.129 -25.093 -7.311 1.00 0.00 C ATOM 0 HA PRO A 2 -2.979 -22.988 -4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.739 -23.189 -5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.827 -22.280 -6.307 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.169 -24.918 -6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.752 -23.751 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.313 -26.162 -7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.818 -24.923 -8.342 1.00 0.00 H new ATOM 39 N VAL A 3 -3.937 -23.866 -2.863 1.00 0.00 N ATOM 40 CA VAL A 3 -4.187 -24.510 -1.576 1.00 0.00 C ATOM 41 C VAL A 3 -5.033 -23.603 -0.686 1.00 0.00 C ATOM 42 O VAL A 3 -4.528 -22.661 -0.076 1.00 0.00 O ATOM 43 CB VAL A 3 -2.867 -24.819 -0.863 1.00 0.00 C ATOM 44 CG1 VAL A 3 -3.144 -25.665 0.382 1.00 0.00 C ATOM 45 CG2 VAL A 3 -1.945 -25.595 -1.807 1.00 0.00 C ATOM 0 H VAL A 3 -3.768 -22.861 -2.812 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.722 -25.441 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.387 -23.885 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.204 -25.885 0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.801 -25.116 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.625 -26.598 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.006 -25.815 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.426 -26.528 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.746 -24.995 -2.695 1.00 0.00 H new ATOM 55 N SER A 4 -6.329 -23.901 -0.620 1.00 0.00 N ATOM 56 CA SER A 4 -7.246 -23.110 0.198 1.00 0.00 C ATOM 57 C SER A 4 -7.275 -21.661 -0.284 1.00 0.00 C ATOM 58 O SER A 4 -7.391 -20.727 0.511 1.00 0.00 O ATOM 59 CB SER A 4 -6.821 -23.142 1.667 1.00 0.00 C ATOM 60 OG SER A 4 -6.116 -24.349 1.926 1.00 0.00 O ATOM 0 H SER A 4 -6.765 -24.677 -1.118 1.00 0.00 H new ATOM 0 HA SER A 4 -8.241 -23.544 0.102 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.190 -22.283 1.894 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.697 -23.073 2.312 1.00 0.00 H new ATOM 0 HG SER A 4 -5.841 -24.372 2.866 1.00 0.00 H new ATOM 66 N LEU A 5 -7.167 -21.485 -1.598 1.00 0.00 N ATOM 67 CA LEU A 5 -7.181 -20.147 -2.182 1.00 0.00 C ATOM 68 C LEU A 5 -8.579 -19.796 -2.682 1.00 0.00 C ATOM 69 O LEU A 5 -9.515 -20.585 -2.560 1.00 0.00 O ATOM 70 CB LEU A 5 -6.197 -20.063 -3.351 1.00 0.00 C ATOM 71 CG LEU A 5 -4.780 -19.868 -2.812 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.773 -20.480 -3.789 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.495 -18.372 -2.659 1.00 0.00 C ATOM 0 H LEU A 5 -7.070 -22.244 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.886 -19.440 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.248 -20.973 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.465 -19.235 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.690 -20.358 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.763 -20.341 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.975 -21.545 -3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.863 -19.990 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.485 -18.232 -2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.585 -17.883 -3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.212 -17.934 -1.964 1.00 0.00 H new ATOM 85 N SER A 6 -8.707 -18.598 -3.247 1.00 0.00 N ATOM 86 CA SER A 6 -9.994 -18.141 -3.765 1.00 0.00 C ATOM 87 C SER A 6 -9.844 -16.770 -4.416 1.00 0.00 C ATOM 88 O SER A 6 -8.923 -16.017 -4.104 1.00 0.00 O ATOM 89 CB SER A 6 -11.023 -18.050 -2.638 1.00 0.00 C ATOM 90 OG SER A 6 -10.434 -17.407 -1.516 1.00 0.00 O ATOM 0 H SER A 6 -7.943 -17.931 -3.357 1.00 0.00 H new ATOM 0 HA SER A 6 -10.336 -18.862 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.898 -17.493 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.366 -19.047 -2.362 1.00 0.00 H new ATOM 0 HG SER A 6 -11.091 -17.345 -0.792 1.00 0.00 H new ATOM 96 N TYR A 7 -10.761 -16.454 -5.328 1.00 0.00 N ATOM 97 CA TYR A 7 -10.716 -15.165 -6.020 1.00 0.00 C ATOM 98 C TYR A 7 -11.232 -14.058 -5.109 1.00 0.00 C ATOM 99 O TYR A 7 -12.355 -14.114 -4.608 1.00 0.00 O ATOM 100 CB TYR A 7 -11.566 -15.186 -7.294 1.00 0.00 C ATOM 101 CG TYR A 7 -11.283 -16.442 -8.087 1.00 0.00 C ATOM 102 CD1 TYR A 7 -10.014 -16.650 -8.640 1.00 0.00 C ATOM 103 CD2 TYR A 7 -12.290 -17.396 -8.268 1.00 0.00 C ATOM 104 CE1 TYR A 7 -9.752 -17.813 -9.373 1.00 0.00 C ATOM 105 CE2 TYR A 7 -12.029 -18.560 -9.002 1.00 0.00 C ATOM 106 CZ TYR A 7 -10.760 -18.769 -9.554 1.00 0.00 C ATOM 107 OH TYR A 7 -10.502 -19.915 -10.277 1.00 0.00 O ATOM 0 H TYR A 7 -11.533 -17.061 -5.603 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.677 -14.976 -6.289 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -12.624 -15.141 -7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -11.348 -14.307 -7.900 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.237 -15.913 -8.501 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -13.269 -17.235 -7.842 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.773 -17.974 -9.799 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -12.807 -19.296 -9.142 1.00 0.00 H new ATOM 0 HH TYR A 7 -11.308 -20.472 -10.306 1.00 0.00 H new ATOM 117 N ARG A 8 -10.392 -13.053 -4.903 1.00 0.00 N ATOM 118 CA ARG A 8 -10.746 -11.917 -4.051 1.00 0.00 C ATOM 119 C ARG A 8 -9.922 -10.693 -4.460 1.00 0.00 C ATOM 120 O ARG A 8 -9.305 -10.676 -5.525 1.00 0.00 O ATOM 121 CB ARG A 8 -10.471 -12.245 -2.575 1.00 0.00 C ATOM 122 CG ARG A 8 -11.190 -13.537 -2.181 1.00 0.00 C ATOM 123 CD ARG A 8 -11.084 -13.741 -0.669 1.00 0.00 C ATOM 124 NE ARG A 8 -9.751 -14.217 -0.307 1.00 0.00 N ATOM 125 CZ ARG A 8 -9.410 -14.398 0.965 1.00 0.00 C ATOM 126 NH1 ARG A 8 -9.937 -15.376 1.650 1.00 0.00 N ATOM 127 NH2 ARG A 8 -8.548 -13.597 1.529 1.00 0.00 N ATOM 0 H ARG A 8 -9.459 -12.998 -5.313 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.808 -11.706 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.399 -12.352 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.809 -11.424 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.237 -13.488 -2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.749 -14.385 -2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.293 -12.803 -0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.835 -14.460 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.071 -14.414 -1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.611 -16.002 1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.675 -15.514 2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.136 -12.832 0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.286 -13.735 2.505 1.00 0.00 H new ATOM 141 N CYS A 9 -9.907 -9.669 -3.600 1.00 0.00 N ATOM 142 CA CYS A 9 -9.142 -8.446 -3.879 1.00 0.00 C ATOM 143 C CYS A 9 -7.685 -8.796 -4.225 1.00 0.00 C ATOM 144 O CYS A 9 -7.240 -9.912 -3.958 1.00 0.00 O ATOM 145 CB CYS A 9 -9.164 -7.524 -2.653 1.00 0.00 C ATOM 146 SG CYS A 9 -10.878 -7.181 -2.169 1.00 0.00 S ATOM 0 H CYS A 9 -10.410 -9.660 -2.713 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.600 -7.937 -4.727 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -8.630 -7.992 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.647 -6.591 -2.879 1.00 0.00 H new ATOM 151 N PRO A 10 -6.921 -7.867 -4.827 1.00 0.00 N ATOM 152 CA PRO A 10 -5.517 -8.132 -5.198 1.00 0.00 C ATOM 153 C PRO A 10 -4.573 -8.044 -4.003 1.00 0.00 C ATOM 154 O PRO A 10 -3.572 -8.758 -3.932 1.00 0.00 O ATOM 155 CB PRO A 10 -5.222 -7.046 -6.223 1.00 0.00 C ATOM 156 CG PRO A 10 -6.200 -5.913 -5.963 1.00 0.00 C ATOM 157 CD PRO A 10 -7.377 -6.497 -5.176 1.00 0.00 C ATOM 0 HA PRO A 10 -5.370 -9.142 -5.582 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.194 -6.697 -6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.338 -7.430 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.720 -5.113 -5.399 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.543 -5.479 -6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.595 -5.908 -4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.288 -6.518 -5.774 1.00 0.00 H new ATOM 165 N CYS A 11 -4.913 -7.177 -3.056 1.00 0.00 N ATOM 166 CA CYS A 11 -4.095 -7.027 -1.856 1.00 0.00 C ATOM 167 C CYS A 11 -4.582 -7.989 -0.782 1.00 0.00 C ATOM 168 O CYS A 11 -5.779 -8.249 -0.651 1.00 0.00 O ATOM 169 CB CYS A 11 -4.162 -5.598 -1.313 1.00 0.00 C ATOM 170 SG CYS A 11 -3.004 -4.541 -2.224 1.00 0.00 S ATOM 0 H CYS A 11 -5.736 -6.575 -3.093 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.062 -7.250 -2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.176 -5.210 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.917 -5.591 -0.251 1.00 0.00 H new ATOM 175 N ARG A 12 -3.637 -8.512 -0.019 1.00 0.00 N ATOM 176 CA ARG A 12 -3.962 -9.455 1.052 1.00 0.00 C ATOM 177 C ARG A 12 -3.281 -9.032 2.345 1.00 0.00 C ATOM 178 O ARG A 12 -3.897 -8.998 3.411 1.00 0.00 O ATOM 179 CB ARG A 12 -3.514 -10.878 0.690 1.00 0.00 C ATOM 180 CG ARG A 12 -2.080 -10.859 0.149 1.00 0.00 C ATOM 181 CD ARG A 12 -1.760 -12.208 -0.495 1.00 0.00 C ATOM 182 NE ARG A 12 -2.705 -12.506 -1.567 1.00 0.00 N ATOM 183 CZ ARG A 12 -2.700 -13.688 -2.177 1.00 0.00 C ATOM 184 NH1 ARG A 12 -3.408 -14.673 -1.698 1.00 0.00 N ATOM 185 NH2 ARG A 12 -1.986 -13.862 -3.255 1.00 0.00 N ATOM 0 H ARG A 12 -2.643 -8.305 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.044 -9.450 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.570 -11.520 1.569 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.187 -11.300 -0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.967 -10.059 -0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.378 -10.654 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.745 -12.195 -0.892 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.798 -12.994 0.259 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.380 -11.797 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.966 -14.537 -0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.404 -15.579 -2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.432 -13.092 -3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.982 -14.768 -3.723 1.00 0.00 H new ATOM 199 N PHE A 13 -2.002 -8.696 2.234 1.00 0.00 N ATOM 200 CA PHE A 13 -1.234 -8.257 3.391 1.00 0.00 C ATOM 201 C PHE A 13 -0.600 -6.905 3.100 1.00 0.00 C ATOM 202 O PHE A 13 -0.176 -6.633 1.977 1.00 0.00 O ATOM 203 CB PHE A 13 -0.136 -9.265 3.730 1.00 0.00 C ATOM 204 CG PHE A 13 -0.762 -10.531 4.265 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.251 -10.569 5.576 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.853 -11.668 3.451 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.829 -11.741 6.074 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.432 -12.841 3.950 1.00 0.00 C ATOM 209 CZ PHE A 13 -1.920 -12.878 5.261 1.00 0.00 C ATOM 0 H PHE A 13 -1.477 -8.719 1.360 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.911 -8.177 4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.456 -9.487 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.545 -8.843 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.182 -9.693 6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.477 -11.639 2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.205 -11.769 7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.502 -13.718 3.323 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.367 -13.783 5.646 1.00 0.00 H new ATOM 219 N PHE A 14 -0.550 -6.057 4.117 1.00 0.00 N ATOM 220 CA PHE A 14 0.024 -4.728 3.949 1.00 0.00 C ATOM 221 C PHE A 14 1.328 -4.594 4.721 1.00 0.00 C ATOM 222 O PHE A 14 1.426 -4.991 5.882 1.00 0.00 O ATOM 223 CB PHE A 14 -0.948 -3.656 4.438 1.00 0.00 C ATOM 224 CG PHE A 14 -1.980 -3.397 3.373 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.813 -4.431 2.933 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.099 -2.120 2.825 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.767 -4.182 1.939 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.051 -1.868 1.833 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.887 -2.901 1.389 1.00 0.00 C ATOM 0 H PHE A 14 -0.894 -6.260 5.055 1.00 0.00 H new ATOM 0 HA PHE A 14 0.219 -4.590 2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.433 -3.981 5.359 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.408 -2.737 4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.720 -5.419 3.359 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.454 -1.324 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.411 -4.979 1.597 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.142 -0.879 1.409 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.623 -2.709 0.623 1.00 0.00 H new ATOM 239 N GLU A 15 2.326 -4.019 4.061 1.00 0.00 N ATOM 240 CA GLU A 15 3.624 -3.822 4.694 1.00 0.00 C ATOM 241 C GLU A 15 3.740 -2.390 5.216 1.00 0.00 C ATOM 242 O GLU A 15 4.446 -1.556 4.646 1.00 0.00 O ATOM 243 CB GLU A 15 4.754 -4.094 3.697 1.00 0.00 C ATOM 244 CG GLU A 15 4.637 -5.526 3.171 1.00 0.00 C ATOM 245 CD GLU A 15 5.045 -6.506 4.265 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.229 -6.784 4.372 1.00 0.00 O ATOM 247 OE2 GLU A 15 4.170 -6.964 4.980 1.00 0.00 O ATOM 0 H GLU A 15 2.264 -3.685 3.099 1.00 0.00 H new ATOM 0 HA GLU A 15 3.710 -4.520 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.702 -3.386 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.721 -3.950 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.614 -5.725 2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.274 -5.656 2.296 1.00 0.00 H new ATOM 254 N SER A 16 3.032 -2.111 6.310 1.00 0.00 N ATOM 255 CA SER A 16 3.058 -0.775 6.904 1.00 0.00 C ATOM 256 C SER A 16 4.481 -0.394 7.309 1.00 0.00 C ATOM 257 O SER A 16 4.845 0.782 7.312 1.00 0.00 O ATOM 258 CB SER A 16 2.155 -0.714 8.136 1.00 0.00 C ATOM 259 OG SER A 16 2.311 -1.907 8.892 1.00 0.00 O ATOM 0 H SER A 16 2.440 -2.783 6.798 1.00 0.00 H new ATOM 0 HA SER A 16 2.694 -0.072 6.155 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.410 0.153 8.746 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.115 -0.595 7.833 1.00 0.00 H new ATOM 0 HG SER A 16 1.735 -1.870 9.684 1.00 0.00 H new ATOM 265 N HIS A 17 5.285 -1.402 7.641 1.00 0.00 N ATOM 266 CA HIS A 17 6.672 -1.162 8.036 1.00 0.00 C ATOM 267 C HIS A 17 7.443 -0.449 6.921 1.00 0.00 C ATOM 268 O HIS A 17 8.476 0.174 7.169 1.00 0.00 O ATOM 269 CB HIS A 17 7.373 -2.483 8.356 1.00 0.00 C ATOM 270 CG HIS A 17 6.948 -2.959 9.718 1.00 0.00 C ATOM 271 ND1 HIS A 17 7.796 -2.916 10.813 1.00 0.00 N ATOM 272 CD2 HIS A 17 5.768 -3.490 10.179 1.00 0.00 C ATOM 273 CE1 HIS A 17 7.120 -3.408 11.868 1.00 0.00 C ATOM 274 NE2 HIS A 17 5.880 -3.773 11.536 1.00 0.00 N ATOM 0 H HIS A 17 5.005 -2.383 7.645 1.00 0.00 H new ATOM 0 HA HIS A 17 6.657 -0.529 8.923 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.124 -3.231 7.603 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.454 -2.350 8.327 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.887 -3.662 9.579 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.531 -3.497 12.863 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.168 -4.173 12.146 1.00 0.00 H new ATOM 282 N VAL A 18 6.932 -0.543 5.689 1.00 0.00 N ATOM 283 CA VAL A 18 7.579 0.095 4.548 1.00 0.00 C ATOM 284 C VAL A 18 7.718 1.598 4.781 1.00 0.00 C ATOM 285 O VAL A 18 6.997 2.196 5.578 1.00 0.00 O ATOM 286 CB VAL A 18 6.760 -0.142 3.268 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.448 0.511 2.062 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.641 -1.643 3.014 1.00 0.00 C ATOM 0 H VAL A 18 6.078 -1.052 5.462 1.00 0.00 H new ATOM 0 HA VAL A 18 8.570 -0.344 4.433 1.00 0.00 H new ATOM 0 HB VAL A 18 5.772 0.299 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.855 0.334 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.538 1.584 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.441 0.080 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.061 -1.814 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.636 -2.072 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.141 -2.117 3.859 1.00 0.00 H new ATOM 298 N ALA A 19 8.653 2.188 4.053 1.00 0.00 N ATOM 299 CA ALA A 19 8.902 3.615 4.146 1.00 0.00 C ATOM 300 C ALA A 19 9.259 4.150 2.768 1.00 0.00 C ATOM 301 O ALA A 19 9.903 3.473 1.973 1.00 0.00 O ATOM 302 CB ALA A 19 10.046 3.904 5.115 1.00 0.00 C ATOM 0 H ALA A 19 9.253 1.698 3.390 1.00 0.00 H new ATOM 0 HA ALA A 19 8.002 4.105 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.215 4.980 5.168 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.788 3.527 6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.953 3.412 4.764 1.00 0.00 H new ATOM 308 N ARG A 20 8.828 5.373 2.492 1.00 0.00 N ATOM 309 CA ARG A 20 9.088 6.017 1.195 1.00 0.00 C ATOM 310 C ARG A 20 10.532 5.810 0.719 1.00 0.00 C ATOM 311 O ARG A 20 10.805 5.807 -0.482 1.00 0.00 O ATOM 312 CB ARG A 20 8.810 7.510 1.295 1.00 0.00 C ATOM 313 CG ARG A 20 8.560 8.082 -0.100 1.00 0.00 C ATOM 314 CD ARG A 20 9.057 9.527 -0.157 1.00 0.00 C ATOM 315 NE ARG A 20 8.456 10.321 0.912 1.00 0.00 N ATOM 316 CZ ARG A 20 9.048 11.424 1.361 1.00 0.00 C ATOM 317 NH1 ARG A 20 8.980 12.529 0.672 1.00 0.00 N ATOM 318 NH2 ARG A 20 9.697 11.400 2.494 1.00 0.00 N ATOM 0 H ARG A 20 8.295 5.947 3.145 1.00 0.00 H new ATOM 0 HA ARG A 20 8.424 5.551 0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.943 7.686 1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.655 8.017 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.074 7.480 -0.849 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.496 8.043 -0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.143 9.547 -0.066 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.810 9.964 -1.125 1.00 0.00 H new ATOM 0 HE ARG A 20 7.569 10.025 1.320 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.472 12.548 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.434 13.374 1.018 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.749 10.536 3.033 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.151 12.245 2.839 1.00 0.00 H new ATOM 332 N ALA A 21 11.448 5.639 1.667 1.00 0.00 N ATOM 333 CA ALA A 21 12.852 5.435 1.325 1.00 0.00 C ATOM 334 C ALA A 21 13.044 4.154 0.521 1.00 0.00 C ATOM 335 O ALA A 21 13.457 4.189 -0.638 1.00 0.00 O ATOM 336 CB ALA A 21 13.708 5.363 2.591 1.00 0.00 C ATOM 0 H ALA A 21 11.247 5.637 2.667 1.00 0.00 H new ATOM 0 HA ALA A 21 13.166 6.284 0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.752 5.211 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.612 6.295 3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.371 4.532 3.211 1.00 0.00 H new ATOM 342 N ASN A 22 12.752 3.021 1.151 1.00 0.00 N ATOM 343 CA ASN A 22 12.911 1.734 0.482 1.00 0.00 C ATOM 344 C ASN A 22 11.868 1.544 -0.621 1.00 0.00 C ATOM 345 O ASN A 22 12.010 0.671 -1.473 1.00 0.00 O ATOM 346 CB ASN A 22 12.833 0.582 1.500 1.00 0.00 C ATOM 347 CG ASN A 22 11.418 0.417 2.064 1.00 0.00 C ATOM 348 OD1 ASN A 22 10.493 1.121 1.668 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.198 -0.493 2.972 1.00 0.00 N ATOM 0 H ASN A 22 12.409 2.966 2.110 1.00 0.00 H new ATOM 0 HA ASN A 22 13.896 1.723 0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.145 -0.347 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.530 0.770 2.316 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.260 -0.619 3.351 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.964 -1.079 3.303 1.00 0.00 H new ATOM 356 N VAL A 23 10.821 2.366 -0.620 1.00 0.00 N ATOM 357 CA VAL A 23 9.806 2.236 -1.658 1.00 0.00 C ATOM 358 C VAL A 23 10.407 2.660 -2.989 1.00 0.00 C ATOM 359 O VAL A 23 10.957 3.752 -3.123 1.00 0.00 O ATOM 360 CB VAL A 23 8.578 3.091 -1.350 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.478 2.793 -2.373 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.065 2.773 0.064 1.00 0.00 C ATOM 0 H VAL A 23 10.657 3.105 0.064 1.00 0.00 H new ATOM 0 HA VAL A 23 9.483 1.196 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 23 8.850 4.145 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.602 3.403 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.840 3.025 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.208 1.738 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.189 3.385 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.795 1.719 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.847 2.989 0.792 1.00 0.00 H new ATOM 372 N LYS A 24 10.318 1.768 -3.962 1.00 0.00 N ATOM 373 CA LYS A 24 10.879 2.036 -5.280 1.00 0.00 C ATOM 374 C LYS A 24 9.856 2.718 -6.179 1.00 0.00 C ATOM 375 O LYS A 24 10.165 3.699 -6.858 1.00 0.00 O ATOM 376 CB LYS A 24 11.328 0.732 -5.943 1.00 0.00 C ATOM 377 CG LYS A 24 12.282 1.048 -7.096 1.00 0.00 C ATOM 378 CD LYS A 24 13.699 1.239 -6.552 1.00 0.00 C ATOM 379 CE LYS A 24 14.509 2.099 -7.522 1.00 0.00 C ATOM 380 NZ LYS A 24 15.481 2.930 -6.758 1.00 0.00 N ATOM 0 H LYS A 24 9.867 0.858 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 24 11.736 2.696 -5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.823 0.092 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.462 0.183 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.268 0.238 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.956 1.950 -7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.662 1.715 -5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.182 0.271 -6.418 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.037 1.464 -8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.843 2.739 -8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.032 3.515 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.967 3.546 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.124 2.310 -6.225 1.00 0.00 H new ATOM 394 N HIS A 25 8.637 2.191 -6.185 1.00 0.00 N ATOM 395 CA HIS A 25 7.585 2.769 -7.020 1.00 0.00 C ATOM 396 C HIS A 25 6.206 2.500 -6.429 1.00 0.00 C ATOM 397 O HIS A 25 6.018 1.566 -5.650 1.00 0.00 O ATOM 398 CB HIS A 25 7.642 2.181 -8.431 1.00 0.00 C ATOM 399 CG HIS A 25 8.647 2.942 -9.251 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.669 4.326 -9.296 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.672 2.524 -10.064 1.00 0.00 C ATOM 402 CE1 HIS A 25 9.677 4.690 -10.111 1.00 0.00 C ATOM 403 NE2 HIS A 25 10.320 3.630 -10.606 1.00 0.00 N ATOM 0 H HIS A 25 8.354 1.381 -5.634 1.00 0.00 H new ATOM 0 HA HIS A 25 7.752 3.845 -7.061 1.00 0.00 H new ATOM 0 HB2 HIS A 25 7.916 1.127 -8.386 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.659 2.235 -8.899 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.935 1.494 -10.254 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.934 5.714 -10.337 1.00 0.00 H new ATOM 0 HE2 HIS A 25 11.115 3.631 -11.244 1.00 0.00 H new ATOM 411 N LEU A 26 5.240 3.331 -6.817 1.00 0.00 N ATOM 412 CA LEU A 26 3.876 3.176 -6.326 1.00 0.00 C ATOM 413 C LEU A 26 2.931 2.813 -7.463 1.00 0.00 C ATOM 414 O LEU A 26 3.029 3.342 -8.570 1.00 0.00 O ATOM 415 CB LEU A 26 3.360 4.467 -5.696 1.00 0.00 C ATOM 416 CG LEU A 26 4.009 4.708 -4.329 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.442 5.997 -3.732 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.695 3.546 -3.384 1.00 0.00 C ATOM 0 H LEU A 26 5.376 4.109 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 26 3.902 2.382 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.571 5.308 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.277 4.414 -5.584 1.00 0.00 H new ATOM 0 HG LEU A 26 5.089 4.788 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.897 6.178 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.661 6.833 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.363 5.900 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.161 3.728 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.616 3.462 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.084 2.619 -3.805 1.00 0.00 H new ATOM 430 N LYS A 27 2.002 1.923 -7.160 1.00 0.00 N ATOM 431 CA LYS A 27 1.009 1.498 -8.144 1.00 0.00 C ATOM 432 C LYS A 27 -0.339 1.299 -7.456 1.00 0.00 C ATOM 433 O LYS A 27 -0.403 1.122 -6.241 1.00 0.00 O ATOM 434 CB LYS A 27 1.436 0.190 -8.816 1.00 0.00 C ATOM 435 CG LYS A 27 2.200 0.504 -10.106 1.00 0.00 C ATOM 436 CD LYS A 27 3.704 0.522 -9.818 1.00 0.00 C ATOM 437 CE LYS A 27 4.477 0.517 -11.138 1.00 0.00 C ATOM 438 NZ LYS A 27 4.670 1.919 -11.606 1.00 0.00 N ATOM 0 H LYS A 27 1.911 1.480 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 27 0.925 2.271 -8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.065 -0.390 -8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.560 -0.420 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.974 -0.243 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.883 1.469 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.963 1.407 -9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.981 -0.346 -9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.443 0.031 -11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.933 -0.057 -11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.196 1.916 -12.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.743 2.368 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.206 2.452 -10.892 1.00 0.00 H new ATOM 452 N ILE A 28 -1.416 1.340 -8.235 1.00 0.00 N ATOM 453 CA ILE A 28 -2.749 1.169 -7.673 1.00 0.00 C ATOM 454 C ILE A 28 -3.596 0.262 -8.562 1.00 0.00 C ATOM 455 O ILE A 28 -3.417 0.216 -9.779 1.00 0.00 O ATOM 456 CB ILE A 28 -3.445 2.525 -7.535 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.549 3.480 -6.742 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.772 2.346 -6.800 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.143 4.889 -6.783 1.00 0.00 C ATOM 0 H ILE A 28 -1.392 1.488 -9.244 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.643 0.711 -6.690 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.632 2.939 -8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.461 3.141 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.543 3.485 -7.162 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.267 3.312 -6.702 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.411 1.666 -7.363 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.586 1.932 -5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.505 5.569 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.208 5.227 -7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.140 4.877 -6.342 1.00 0.00 H new ATOM 471 N LEU A 29 -4.527 -0.451 -7.935 1.00 0.00 N ATOM 472 CA LEU A 29 -5.411 -1.350 -8.671 1.00 0.00 C ATOM 473 C LEU A 29 -6.858 -0.891 -8.532 1.00 0.00 C ATOM 474 O LEU A 29 -7.419 -0.882 -7.436 1.00 0.00 O ATOM 475 CB LEU A 29 -5.289 -2.779 -8.143 1.00 0.00 C ATOM 476 CG LEU A 29 -3.993 -3.407 -8.659 1.00 0.00 C ATOM 477 CD1 LEU A 29 -2.847 -3.072 -7.703 1.00 0.00 C ATOM 478 CD2 LEU A 29 -4.161 -4.926 -8.738 1.00 0.00 C ATOM 0 H LEU A 29 -4.689 -0.425 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.117 -1.330 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.295 -2.777 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.146 -3.371 -8.465 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.767 -3.012 -9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.924 -3.520 -8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.727 -1.990 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.072 -3.467 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.239 -5.375 -9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.386 -5.319 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.978 -5.167 -9.418 1.00 0.00 H new ATOM 490 N ASN A 30 -7.453 -0.504 -9.655 1.00 0.00 N ATOM 491 CA ASN A 30 -8.837 -0.039 -9.650 1.00 0.00 C ATOM 492 C ASN A 30 -9.793 -1.203 -9.889 1.00 0.00 C ATOM 493 O ASN A 30 -10.207 -1.465 -11.018 1.00 0.00 O ATOM 494 CB ASN A 30 -9.052 1.014 -10.738 1.00 0.00 C ATOM 495 CG ASN A 30 -10.329 1.794 -10.447 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.310 1.232 -9.960 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.376 3.070 -10.719 1.00 0.00 N ATOM 0 H ASN A 30 -7.005 -0.502 -10.572 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.039 0.401 -8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.200 1.692 -10.776 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.121 0.534 -11.714 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.226 3.601 -10.528 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.563 3.536 -11.123 1.00 0.00 H new ATOM 504 N THR A 31 -10.138 -1.897 -8.809 1.00 0.00 N ATOM 505 CA THR A 31 -11.049 -3.034 -8.902 1.00 0.00 C ATOM 506 C THR A 31 -12.455 -2.619 -8.451 1.00 0.00 C ATOM 507 O THR A 31 -12.598 -1.789 -7.553 1.00 0.00 O ATOM 508 CB THR A 31 -10.556 -4.182 -8.014 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.149 -4.079 -7.844 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.893 -5.522 -8.666 1.00 0.00 C ATOM 0 H THR A 31 -9.804 -1.695 -7.867 1.00 0.00 H new ATOM 0 HA THR A 31 -11.081 -3.367 -9.940 1.00 0.00 H new ATOM 0 HB THR A 31 -11.047 -4.121 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.834 -4.812 -7.275 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.540 -6.335 -8.031 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.972 -5.603 -8.794 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.407 -5.585 -9.640 1.00 0.00 H new ATOM 518 N PRO A 32 -13.513 -3.183 -9.060 1.00 0.00 N ATOM 519 CA PRO A 32 -14.901 -2.844 -8.694 1.00 0.00 C ATOM 520 C PRO A 32 -15.381 -3.613 -7.468 1.00 0.00 C ATOM 521 O PRO A 32 -15.938 -3.038 -6.533 1.00 0.00 O ATOM 522 CB PRO A 32 -15.687 -3.248 -9.934 1.00 0.00 C ATOM 523 CG PRO A 32 -14.861 -4.298 -10.663 1.00 0.00 C ATOM 524 CD PRO A 32 -13.422 -4.191 -10.148 1.00 0.00 C ATOM 0 HA PRO A 32 -15.017 -1.795 -8.423 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.663 -3.648 -9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.866 -2.385 -10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -15.261 -5.295 -10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.896 -4.134 -11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.057 -5.149 -9.777 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.738 -3.872 -10.934 1.00 0.00 H new ATOM 532 N ASN A 33 -15.148 -4.920 -7.482 1.00 0.00 N ATOM 533 CA ASN A 33 -15.547 -5.771 -6.366 1.00 0.00 C ATOM 534 C ASN A 33 -14.877 -5.309 -5.070 1.00 0.00 C ATOM 535 O ASN A 33 -15.402 -5.518 -3.976 1.00 0.00 O ATOM 536 CB ASN A 33 -15.157 -7.226 -6.637 1.00 0.00 C ATOM 537 CG ASN A 33 -16.154 -7.847 -7.608 1.00 0.00 C ATOM 538 OD1 ASN A 33 -17.263 -8.213 -7.220 1.00 0.00 O ATOM 539 ND2 ASN A 33 -15.821 -7.990 -8.862 1.00 0.00 N ATOM 0 H ASN A 33 -14.688 -5.412 -8.248 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.629 -5.698 -6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.151 -7.272 -7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.142 -7.790 -5.704 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.480 -8.405 -9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.902 -7.687 -9.183 1.00 0.00 H new ATOM 546 N CYS A 34 -13.711 -4.679 -5.209 1.00 0.00 N ATOM 547 CA CYS A 34 -12.975 -4.189 -4.047 1.00 0.00 C ATOM 548 C CYS A 34 -12.790 -2.677 -4.142 1.00 0.00 C ATOM 549 O CYS A 34 -13.320 -2.028 -5.045 1.00 0.00 O ATOM 550 CB CYS A 34 -11.598 -4.854 -3.970 1.00 0.00 C ATOM 551 SG CYS A 34 -11.795 -6.652 -3.891 1.00 0.00 S ATOM 0 H CYS A 34 -13.260 -4.498 -6.106 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.547 -4.434 -3.152 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.002 -4.581 -4.841 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.060 -4.498 -3.092 1.00 0.00 H new ATOM 556 N ALA A 35 -12.029 -2.123 -3.203 1.00 0.00 N ATOM 557 CA ALA A 35 -11.777 -0.685 -3.191 1.00 0.00 C ATOM 558 C ALA A 35 -10.425 -0.380 -3.833 1.00 0.00 C ATOM 559 O ALA A 35 -9.805 -1.248 -4.447 1.00 0.00 O ATOM 560 CB ALA A 35 -11.783 -0.156 -1.754 1.00 0.00 C ATOM 0 H ALA A 35 -11.580 -2.641 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.567 -0.195 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.594 0.917 -1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.754 -0.350 -1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.005 -0.658 -1.178 1.00 0.00 H new ATOM 566 N LEU A 36 -9.973 0.864 -3.682 1.00 0.00 N ATOM 567 CA LEU A 36 -8.689 1.270 -4.247 1.00 0.00 C ATOM 568 C LEU A 36 -7.550 0.797 -3.350 1.00 0.00 C ATOM 569 O LEU A 36 -7.251 1.410 -2.325 1.00 0.00 O ATOM 570 CB LEU A 36 -8.621 2.793 -4.382 1.00 0.00 C ATOM 571 CG LEU A 36 -9.114 3.204 -5.771 1.00 0.00 C ATOM 572 CD1 LEU A 36 -9.472 4.691 -5.768 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.010 2.948 -6.799 1.00 0.00 C ATOM 0 H LEU A 36 -10.470 1.599 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.591 0.817 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.233 3.265 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.598 3.137 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.997 2.619 -6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.823 4.983 -6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.258 4.875 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.590 5.277 -5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.360 3.240 -7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.128 3.533 -6.539 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.755 1.888 -6.803 1.00 0.00 H new ATOM 585 N GLN A 37 -6.920 -0.302 -3.750 1.00 0.00 N ATOM 586 CA GLN A 37 -5.810 -0.858 -2.975 1.00 0.00 C ATOM 587 C GLN A 37 -4.489 -0.336 -3.522 1.00 0.00 C ATOM 588 O GLN A 37 -4.078 -0.695 -4.627 1.00 0.00 O ATOM 589 CB GLN A 37 -5.786 -2.395 -3.043 1.00 0.00 C ATOM 590 CG GLN A 37 -7.204 -2.965 -2.915 1.00 0.00 C ATOM 591 CD GLN A 37 -7.814 -3.125 -4.306 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.384 -2.474 -5.259 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.801 -3.957 -4.479 1.00 0.00 N ATOM 0 H GLN A 37 -7.153 -0.822 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.949 -0.551 -1.938 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.344 -2.715 -3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.157 -2.790 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.176 -3.928 -2.405 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.821 -2.301 -2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.158 -4.496 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.217 -4.069 -5.403 1.00 0.00 H new ATOM 602 N ILE A 38 -3.821 0.512 -2.745 1.00 0.00 N ATOM 603 CA ILE A 38 -2.545 1.060 -3.185 1.00 0.00 C ATOM 604 C ILE A 38 -1.446 0.021 -3.027 1.00 0.00 C ATOM 605 O ILE A 38 -1.137 -0.430 -1.922 1.00 0.00 O ATOM 606 CB ILE A 38 -2.161 2.310 -2.395 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.327 3.301 -2.401 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.936 2.957 -3.054 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.150 4.305 -1.258 1.00 0.00 C ATOM 0 H ILE A 38 -4.134 0.828 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.657 1.334 -4.234 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.928 2.038 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.368 3.825 -3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.271 2.768 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.653 3.851 -2.498 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.106 2.250 -3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.177 3.230 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.980 5.011 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.130 3.773 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.213 4.846 -1.391 1.00 0.00 H new ATOM 621 N VAL A 39 -0.847 -0.334 -4.151 1.00 0.00 N ATOM 622 CA VAL A 39 0.236 -1.304 -4.147 1.00 0.00 C ATOM 623 C VAL A 39 1.560 -0.570 -4.267 1.00 0.00 C ATOM 624 O VAL A 39 1.591 0.648 -4.448 1.00 0.00 O ATOM 625 CB VAL A 39 0.090 -2.304 -5.300 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.198 -3.108 -5.115 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.031 -1.554 -6.630 1.00 0.00 C ATOM 0 H VAL A 39 -1.089 0.031 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 39 0.200 -1.863 -3.212 1.00 0.00 H new ATOM 0 HB VAL A 39 0.947 -2.978 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.304 -3.820 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.158 -3.647 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.052 -2.431 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.073 -2.269 -7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.824 -0.878 -6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.948 -0.980 -6.765 1.00 0.00 H new ATOM 637 N ALA A 40 2.652 -1.307 -4.142 1.00 0.00 N ATOM 638 CA ALA A 40 3.965 -0.688 -4.218 1.00 0.00 C ATOM 639 C ALA A 40 5.039 -1.710 -4.519 1.00 0.00 C ATOM 640 O ALA A 40 4.767 -2.897 -4.660 1.00 0.00 O ATOM 641 CB ALA A 40 4.300 -0.028 -2.888 1.00 0.00 C ATOM 0 H ALA A 40 2.657 -2.316 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 40 3.935 0.049 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.285 0.435 -2.949 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.554 0.734 -2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.301 -0.780 -2.099 1.00 0.00 H new ATOM 647 N ARG A 41 6.269 -1.220 -4.600 1.00 0.00 N ATOM 648 CA ARG A 41 7.416 -2.079 -4.863 1.00 0.00 C ATOM 649 C ARG A 41 8.602 -1.623 -4.013 1.00 0.00 C ATOM 650 O ARG A 41 9.128 -0.523 -4.199 1.00 0.00 O ATOM 651 CB ARG A 41 7.789 -2.025 -6.345 1.00 0.00 C ATOM 652 CG ARG A 41 8.938 -3.001 -6.637 1.00 0.00 C ATOM 653 CD ARG A 41 8.404 -4.230 -7.380 1.00 0.00 C ATOM 654 NE ARG A 41 9.357 -4.672 -8.394 1.00 0.00 N ATOM 655 CZ ARG A 41 9.392 -4.098 -9.594 1.00 0.00 C ATOM 656 NH1 ARG A 41 8.595 -4.514 -10.539 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.224 -3.120 -9.824 1.00 0.00 N ATOM 0 H ARG A 41 6.498 -0.232 -4.487 1.00 0.00 H new ATOM 0 HA ARG A 41 7.157 -3.106 -4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.922 -2.279 -6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.085 -1.012 -6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.703 -2.507 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.412 -3.307 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.218 -5.037 -6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.450 -3.992 -7.850 1.00 0.00 H new ATOM 0 HE ARG A 41 10.004 -5.431 -8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.945 -5.279 -10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.622 -4.074 -11.459 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.847 -2.796 -9.084 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.252 -2.679 -10.744 1.00 0.00 H new ATOM 671 N LEU A 42 9.001 -2.477 -3.065 1.00 0.00 N ATOM 672 CA LEU A 42 10.108 -2.156 -2.167 1.00 0.00 C ATOM 673 C LEU A 42 11.452 -2.399 -2.843 1.00 0.00 C ATOM 674 O LEU A 42 11.570 -3.215 -3.762 1.00 0.00 O ATOM 675 CB LEU A 42 10.055 -3.007 -0.896 1.00 0.00 C ATOM 676 CG LEU A 42 8.631 -3.056 -0.335 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.619 -3.935 0.915 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.173 -1.642 0.036 1.00 0.00 C ATOM 0 H LEU A 42 8.575 -3.390 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 42 10.007 -1.102 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.400 -4.018 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.732 -2.594 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 42 7.956 -3.467 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.608 -3.976 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.946 -4.942 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.294 -3.515 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.159 -1.681 0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.844 -1.228 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.190 -1.010 -0.852 1.00 0.00 H new ATOM 690 N LYS A 43 12.462 -1.677 -2.362 1.00 0.00 N ATOM 691 CA LYS A 43 13.816 -1.796 -2.901 1.00 0.00 C ATOM 692 C LYS A 43 14.680 -2.700 -2.019 1.00 0.00 C ATOM 693 O LYS A 43 15.526 -3.446 -2.512 1.00 0.00 O ATOM 694 CB LYS A 43 14.470 -0.404 -3.027 1.00 0.00 C ATOM 695 CG LYS A 43 14.691 0.229 -1.659 1.00 0.00 C ATOM 696 CD LYS A 43 16.110 -0.074 -1.167 1.00 0.00 C ATOM 697 CE LYS A 43 16.115 -0.193 0.360 1.00 0.00 C ATOM 698 NZ LYS A 43 16.677 1.054 0.953 1.00 0.00 N ATOM 0 H LYS A 43 12.369 -1.004 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 43 13.744 -2.246 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 43 15.424 -0.494 -3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.837 0.244 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.540 1.307 -1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.960 -0.156 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.470 -1.001 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.791 0.717 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.102 -0.358 0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.709 -1.054 0.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.681 0.974 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.650 1.192 0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.093 1.867 0.671 1.00 0.00 H new ATOM 712 N ASN A 44 14.455 -2.623 -0.710 1.00 0.00 N ATOM 713 CA ASN A 44 15.215 -3.434 0.231 1.00 0.00 C ATOM 714 C ASN A 44 14.938 -4.916 0.003 1.00 0.00 C ATOM 715 O ASN A 44 15.797 -5.767 0.234 1.00 0.00 O ATOM 716 CB ASN A 44 14.845 -3.075 1.672 1.00 0.00 C ATOM 717 CG ASN A 44 15.844 -3.718 2.629 1.00 0.00 C ATOM 718 OD1 ASN A 44 15.458 -4.455 3.535 1.00 0.00 O ATOM 719 ND2 ASN A 44 17.118 -3.479 2.480 1.00 0.00 N ATOM 0 H ASN A 44 13.759 -2.013 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 44 16.274 -3.232 0.068 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.847 -1.993 1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.836 -3.421 1.897 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.794 -3.903 3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.438 -2.868 1.729 1.00 0.00 H new ATOM 726 N ASN A 45 13.725 -5.212 -0.452 1.00 0.00 N ATOM 727 CA ASN A 45 13.333 -6.595 -0.710 1.00 0.00 C ATOM 728 C ASN A 45 13.257 -6.864 -2.211 1.00 0.00 C ATOM 729 O ASN A 45 13.396 -8.002 -2.657 1.00 0.00 O ATOM 730 CB ASN A 45 11.964 -6.890 -0.095 1.00 0.00 C ATOM 731 CG ASN A 45 11.950 -6.459 1.368 1.00 0.00 C ATOM 732 OD1 ASN A 45 12.321 -7.228 2.254 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.537 -5.259 1.675 1.00 0.00 N ATOM 0 H ASN A 45 13.001 -4.521 -0.649 1.00 0.00 H new ATOM 0 HA ASN A 45 14.087 -7.240 -0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.186 -6.362 -0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.742 -7.954 -0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.522 -4.959 2.650 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.230 -4.622 0.940 1.00 0.00 H new ATOM 740 N ASN A 46 13.016 -5.806 -2.986 1.00 0.00 N ATOM 741 CA ASN A 46 12.903 -5.941 -4.437 1.00 0.00 C ATOM 742 C ASN A 46 11.674 -6.781 -4.771 1.00 0.00 C ATOM 743 O ASN A 46 11.760 -7.819 -5.430 1.00 0.00 O ATOM 744 CB ASN A 46 14.156 -6.600 -5.030 1.00 0.00 C ATOM 745 CG ASN A 46 15.398 -5.858 -4.548 1.00 0.00 C ATOM 746 OD1 ASN A 46 16.137 -6.358 -3.700 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.675 -4.682 -5.043 1.00 0.00 N ATOM 0 H ASN A 46 12.896 -4.855 -2.637 1.00 0.00 H new ATOM 0 HA ASN A 46 12.804 -4.946 -4.871 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.206 -7.647 -4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.108 -6.582 -6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.504 -4.178 -4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.063 -4.267 -5.746 1.00 0.00 H new ATOM 754 N ARG A 47 10.524 -6.315 -4.294 1.00 0.00 N ATOM 755 CA ARG A 47 9.267 -7.024 -4.530 1.00 0.00 C ATOM 756 C ARG A 47 8.088 -6.065 -4.411 1.00 0.00 C ATOM 757 O ARG A 47 8.241 -4.928 -3.968 1.00 0.00 O ATOM 758 CB ARG A 47 9.093 -8.158 -3.518 1.00 0.00 C ATOM 759 CG ARG A 47 9.725 -9.436 -4.072 1.00 0.00 C ATOM 760 CD ARG A 47 8.936 -10.651 -3.580 1.00 0.00 C ATOM 761 NE ARG A 47 9.271 -10.953 -2.191 1.00 0.00 N ATOM 762 CZ ARG A 47 8.481 -11.723 -1.448 1.00 0.00 C ATOM 763 NH1 ARG A 47 7.486 -11.195 -0.789 1.00 0.00 N ATOM 764 NH2 ARG A 47 8.702 -13.008 -1.379 1.00 0.00 N ATOM 0 H ARG A 47 10.434 -5.459 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 47 9.298 -7.440 -5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.560 -7.889 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.034 -8.321 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.730 -9.409 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.764 -9.509 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.867 -10.457 -3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.156 -11.514 -4.209 1.00 0.00 H new ATOM 0 HE ARG A 47 10.124 -10.568 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.314 -10.191 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.881 -11.786 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.480 -13.420 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.097 -13.600 -0.810 1.00 0.00 H new ATOM 778 N GLN A 48 6.911 -6.536 -4.818 1.00 0.00 N ATOM 779 CA GLN A 48 5.711 -5.705 -4.761 1.00 0.00 C ATOM 780 C GLN A 48 4.942 -5.940 -3.462 1.00 0.00 C ATOM 781 O GLN A 48 4.772 -7.078 -3.026 1.00 0.00 O ATOM 782 CB GLN A 48 4.792 -6.018 -5.947 1.00 0.00 C ATOM 783 CG GLN A 48 3.643 -5.009 -5.990 1.00 0.00 C ATOM 784 CD GLN A 48 2.518 -5.554 -6.863 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.283 -6.762 -6.902 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.800 -4.727 -7.572 1.00 0.00 N ATOM 0 H GLN A 48 6.763 -7.476 -5.186 1.00 0.00 H new ATOM 0 HA GLN A 48 6.027 -4.663 -4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.358 -5.979 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.397 -7.030 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.275 -4.818 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.996 -4.057 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.994 -3.726 -7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.044 -5.081 -8.158 1.00 0.00 H new ATOM 795 N VAL A 49 4.473 -4.850 -2.847 1.00 0.00 N ATOM 796 CA VAL A 49 3.717 -4.972 -1.595 1.00 0.00 C ATOM 797 C VAL A 49 2.646 -3.893 -1.491 1.00 0.00 C ATOM 798 O VAL A 49 2.772 -2.816 -2.067 1.00 0.00 O ATOM 799 CB VAL A 49 4.638 -4.842 -0.380 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.526 -6.079 -0.267 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.510 -3.594 -0.533 1.00 0.00 C ATOM 0 H VAL A 49 4.598 -3.895 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 49 3.251 -5.957 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 49 4.033 -4.755 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.179 -5.980 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.902 -6.965 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.131 -6.176 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.166 -3.501 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.112 -3.679 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.874 -2.712 -0.603 1.00 0.00 H new ATOM 811 N CYS A 50 1.602 -4.189 -0.719 1.00 0.00 N ATOM 812 CA CYS A 50 0.524 -3.230 -0.513 1.00 0.00 C ATOM 813 C CYS A 50 0.876 -2.339 0.671 1.00 0.00 C ATOM 814 O CYS A 50 1.053 -2.823 1.789 1.00 0.00 O ATOM 815 CB CYS A 50 -0.796 -3.951 -0.221 1.00 0.00 C ATOM 816 SG CYS A 50 -1.175 -5.104 -1.566 1.00 0.00 S ATOM 0 H CYS A 50 1.482 -5.077 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 50 0.404 -2.635 -1.418 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.725 -4.490 0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.602 -3.225 -0.114 1.00 0.00 H new ATOM 821 N ILE A 51 0.994 -1.037 0.425 1.00 0.00 N ATOM 822 CA ILE A 51 1.345 -0.121 1.508 1.00 0.00 C ATOM 823 C ILE A 51 0.105 0.311 2.265 1.00 0.00 C ATOM 824 O ILE A 51 -1.002 0.323 1.727 1.00 0.00 O ATOM 825 CB ILE A 51 2.073 1.120 0.993 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.195 0.706 0.041 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.681 1.864 2.182 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.844 1.954 -0.555 1.00 0.00 C ATOM 0 H ILE A 51 0.857 -0.601 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 51 2.016 -0.663 2.175 1.00 0.00 H new ATOM 0 HB ILE A 51 1.368 1.761 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.940 0.115 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.798 0.075 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.204 2.752 1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.889 2.160 2.870 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.385 1.211 2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.644 1.659 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.096 2.527 -1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.256 2.568 0.246 1.00 0.00 H new ATOM 840 N ASP A 52 0.305 0.649 3.532 1.00 0.00 N ATOM 841 CA ASP A 52 -0.801 1.063 4.382 1.00 0.00 C ATOM 842 C ASP A 52 -1.183 2.520 4.092 1.00 0.00 C ATOM 843 O ASP A 52 -0.311 3.357 3.865 1.00 0.00 O ATOM 844 CB ASP A 52 -0.406 0.927 5.860 1.00 0.00 C ATOM 845 CG ASP A 52 -1.548 0.288 6.646 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.135 -0.654 6.138 1.00 0.00 O ATOM 847 OD2 ASP A 52 -1.818 0.747 7.742 1.00 0.00 O ATOM 0 H ASP A 52 1.216 0.645 3.990 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.656 0.421 4.172 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.494 0.319 5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.171 1.907 6.275 1.00 0.00 H new ATOM 852 N PRO A 53 -2.487 2.846 4.103 1.00 0.00 N ATOM 853 CA PRO A 53 -2.951 4.224 3.841 1.00 0.00 C ATOM 854 C PRO A 53 -2.735 5.149 5.037 1.00 0.00 C ATOM 855 O PRO A 53 -2.691 6.371 4.894 1.00 0.00 O ATOM 856 CB PRO A 53 -4.437 4.038 3.561 1.00 0.00 C ATOM 857 CG PRO A 53 -4.853 2.742 4.234 1.00 0.00 C ATOM 858 CD PRO A 53 -3.592 1.889 4.379 1.00 0.00 C ATOM 0 HA PRO A 53 -2.404 4.696 3.025 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.012 4.878 3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.625 3.994 2.488 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.299 2.940 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.604 2.222 3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.511 1.461 5.378 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.587 1.058 3.674 1.00 0.00 H new ATOM 866 N LYS A 54 -2.598 4.551 6.220 1.00 0.00 N ATOM 867 CA LYS A 54 -2.384 5.331 7.433 1.00 0.00 C ATOM 868 C LYS A 54 -0.893 5.546 7.706 1.00 0.00 C ATOM 869 O LYS A 54 -0.519 6.007 8.785 1.00 0.00 O ATOM 870 CB LYS A 54 -3.008 4.622 8.637 1.00 0.00 C ATOM 871 CG LYS A 54 -4.516 4.879 8.659 1.00 0.00 C ATOM 872 CD LYS A 54 -5.235 3.650 9.218 1.00 0.00 C ATOM 873 CE LYS A 54 -4.898 3.492 10.702 1.00 0.00 C ATOM 874 NZ LYS A 54 -5.936 4.177 11.522 1.00 0.00 N ATOM 0 H LYS A 54 -2.631 3.541 6.362 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.858 6.301 7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.812 3.551 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.554 4.983 9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.738 5.753 9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.873 5.096 7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.312 3.755 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.933 2.758 8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.851 2.435 10.965 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.916 3.917 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.708 4.070 12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.960 5.188 11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.866 3.752 11.331 1.00 0.00 H new ATOM 888 N LEU A 55 -0.037 5.222 6.729 1.00 0.00 N ATOM 889 CA LEU A 55 1.401 5.406 6.918 1.00 0.00 C ATOM 890 C LEU A 55 1.713 6.886 7.100 1.00 0.00 C ATOM 891 O LEU A 55 0.915 7.753 6.741 1.00 0.00 O ATOM 892 CB LEU A 55 2.184 4.846 5.726 1.00 0.00 C ATOM 893 CG LEU A 55 2.764 3.470 6.085 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.490 2.877 4.871 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.747 3.608 7.256 1.00 0.00 C ATOM 0 H LEU A 55 -0.308 4.841 5.823 1.00 0.00 H new ATOM 0 HA LEU A 55 1.705 4.861 7.812 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.531 4.760 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.988 5.530 5.454 1.00 0.00 H new ATOM 0 HG LEU A 55 1.949 2.807 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.899 1.901 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.787 2.766 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.300 3.541 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.155 2.629 7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.559 4.278 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.226 4.016 8.122 1.00 0.00 H new ATOM 907 N LYS A 56 2.865 7.164 7.695 1.00 0.00 N ATOM 908 CA LYS A 56 3.256 8.539 7.960 1.00 0.00 C ATOM 909 C LYS A 56 3.730 9.251 6.703 1.00 0.00 C ATOM 910 O LYS A 56 3.469 10.439 6.521 1.00 0.00 O ATOM 911 CB LYS A 56 4.364 8.589 9.014 1.00 0.00 C ATOM 912 CG LYS A 56 3.815 8.089 10.352 1.00 0.00 C ATOM 913 CD LYS A 56 4.868 8.287 11.444 1.00 0.00 C ATOM 914 CE LYS A 56 4.187 8.300 12.813 1.00 0.00 C ATOM 915 NZ LYS A 56 5.176 7.925 13.864 1.00 0.00 N ATOM 0 H LYS A 56 3.539 6.462 8.000 1.00 0.00 H new ATOM 0 HA LYS A 56 2.369 9.053 8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.207 7.973 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.736 9.608 9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.904 8.630 10.608 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.549 7.035 10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.607 7.487 11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.403 9.223 11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.779 9.290 13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.350 7.602 12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.713 7.934 14.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.545 6.972 13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.961 8.607 13.861 1.00 0.00 H new ATOM 929 N TRP A 57 4.430 8.532 5.837 1.00 0.00 N ATOM 930 CA TRP A 57 4.914 9.153 4.613 1.00 0.00 C ATOM 931 C TRP A 57 3.851 9.088 3.524 1.00 0.00 C ATOM 932 O TRP A 57 3.790 9.956 2.649 1.00 0.00 O ATOM 933 CB TRP A 57 6.220 8.515 4.131 1.00 0.00 C ATOM 934 CG TRP A 57 6.028 7.078 3.759 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.065 6.027 4.615 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.791 6.522 2.438 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.891 4.861 3.890 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.713 5.117 2.547 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.643 7.099 1.169 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.499 4.311 1.434 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.421 6.291 0.042 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.351 4.898 0.175 1.00 0.00 C ATOM 0 H TRP A 57 4.670 7.547 5.953 1.00 0.00 H new ATOM 0 HA TRP A 57 5.124 10.199 4.836 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.599 9.066 3.271 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.973 8.591 4.915 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.207 6.089 5.684 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.894 3.927 4.299 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.700 8.172 1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.448 3.238 1.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.304 6.745 -0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.183 4.279 -0.694 1.00 0.00 H new ATOM 953 N ILE A 58 3.000 8.065 3.586 1.00 0.00 N ATOM 954 CA ILE A 58 1.950 7.939 2.596 1.00 0.00 C ATOM 955 C ILE A 58 0.815 8.920 2.903 1.00 0.00 C ATOM 956 O ILE A 58 0.029 9.242 2.017 1.00 0.00 O ATOM 957 CB ILE A 58 1.438 6.483 2.497 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.515 5.672 1.725 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.065 6.423 1.774 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.914 4.492 0.943 1.00 0.00 C ATOM 0 H ILE A 58 3.020 7.332 4.295 1.00 0.00 H new ATOM 0 HA ILE A 58 2.364 8.193 1.620 1.00 0.00 H new ATOM 0 HB ILE A 58 1.283 6.062 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.037 6.333 1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.257 5.297 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.272 5.388 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.665 7.013 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.166 6.826 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.709 3.959 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.415 3.814 1.635 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.192 4.866 0.218 1.00 0.00 H new ATOM 972 N GLN A 59 0.725 9.404 4.148 1.00 0.00 N ATOM 973 CA GLN A 59 -0.333 10.349 4.465 1.00 0.00 C ATOM 974 C GLN A 59 -0.099 11.656 3.710 1.00 0.00 C ATOM 975 O GLN A 59 -1.045 12.357 3.351 1.00 0.00 O ATOM 976 CB GLN A 59 -0.436 10.618 5.973 1.00 0.00 C ATOM 977 CG GLN A 59 0.872 11.216 6.501 1.00 0.00 C ATOM 978 CD GLN A 59 0.590 12.525 7.236 1.00 0.00 C ATOM 979 OE1 GLN A 59 0.735 13.607 6.667 1.00 0.00 O ATOM 980 NE2 GLN A 59 0.193 12.489 8.478 1.00 0.00 N ATOM 0 H GLN A 59 1.348 9.165 4.919 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.279 9.907 4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.262 11.302 6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.657 9.690 6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.359 10.510 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.559 11.395 5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.073 11.592 8.949 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.003 13.357 8.978 1.00 0.00 H new ATOM 989 N GLU A 60 1.173 11.962 3.443 1.00 0.00 N ATOM 990 CA GLU A 60 1.507 13.168 2.694 1.00 0.00 C ATOM 991 C GLU A 60 1.291 12.905 1.208 1.00 0.00 C ATOM 992 O GLU A 60 0.829 13.770 0.464 1.00 0.00 O ATOM 993 CB GLU A 60 2.966 13.568 2.931 1.00 0.00 C ATOM 994 CG GLU A 60 3.088 15.093 2.914 1.00 0.00 C ATOM 995 CD GLU A 60 4.552 15.485 2.747 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.343 15.122 3.601 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.861 16.142 1.767 1.00 0.00 O ATOM 0 H GLU A 60 1.974 11.400 3.730 1.00 0.00 H new ATOM 0 HA GLU A 60 0.865 13.982 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.311 13.176 3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.603 13.133 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.495 15.507 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.692 15.510 3.840 1.00 0.00 H new ATOM 1004 N TYR A 61 1.620 11.682 0.797 1.00 0.00 N ATOM 1005 CA TYR A 61 1.454 11.271 -0.594 1.00 0.00 C ATOM 1006 C TYR A 61 -0.036 11.253 -0.945 1.00 0.00 C ATOM 1007 O TYR A 61 -0.473 11.881 -1.909 1.00 0.00 O ATOM 1008 CB TYR A 61 2.093 9.869 -0.792 1.00 0.00 C ATOM 1009 CG TYR A 61 1.481 9.115 -1.960 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.307 9.743 -3.197 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.083 7.786 -1.787 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.733 9.039 -4.264 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.511 7.081 -2.849 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.334 7.708 -4.089 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.232 7.013 -5.139 1.00 0.00 O ATOM 0 H TYR A 61 2.003 10.960 1.407 1.00 0.00 H new ATOM 0 HA TYR A 61 1.954 11.976 -1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.165 9.981 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.970 9.284 0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.615 10.770 -3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.218 7.303 -0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.598 9.522 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.206 6.054 -2.714 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.450 6.103 -4.849 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.800 10.519 -0.147 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.234 10.408 -0.369 1.00 0.00 C ATOM 1027 C LEU A 62 -2.901 11.778 -0.263 1.00 0.00 C ATOM 1028 O LEU A 62 -3.942 12.027 -0.871 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.843 9.461 0.668 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.857 8.532 -0.005 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.978 7.238 0.801 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.220 9.224 -0.062 1.00 0.00 C ATOM 0 H LEU A 62 -0.452 9.994 0.656 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.402 10.013 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.057 8.873 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.330 10.036 1.456 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.522 8.300 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.700 6.577 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.007 6.744 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.313 7.469 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.943 8.564 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.554 9.455 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.136 10.147 -0.636 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.285 12.664 0.517 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.826 14.009 0.695 1.00 0.00 C ATOM 1046 C GLU A 63 -2.550 14.859 -0.543 1.00 0.00 C ATOM 1047 O GLU A 63 -3.343 15.728 -0.907 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.198 14.683 1.920 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.118 14.508 3.131 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.860 15.629 4.132 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -3.434 16.692 3.963 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.094 15.407 5.055 1.00 0.00 O ATOM 0 H GLU A 63 -1.423 12.479 1.029 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.902 13.924 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.221 14.246 2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.038 15.743 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.161 14.522 2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.940 13.540 3.599 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.416 14.595 -1.186 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.041 15.341 -2.385 1.00 0.00 C ATOM 1061 C LYS A 64 -1.723 14.749 -3.615 1.00 0.00 C ATOM 1062 O LYS A 64 -2.190 15.474 -4.493 1.00 0.00 O ATOM 1063 CB LYS A 64 0.475 15.302 -2.589 1.00 0.00 C ATOM 1064 CG LYS A 64 0.863 16.265 -3.715 1.00 0.00 C ATOM 1065 CD LYS A 64 0.812 15.530 -5.055 1.00 0.00 C ATOM 1066 CE LYS A 64 1.851 16.129 -6.006 1.00 0.00 C ATOM 1067 NZ LYS A 64 2.251 15.106 -7.013 1.00 0.00 N ATOM 0 H LYS A 64 -0.747 13.879 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.362 16.374 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.984 15.580 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.794 14.289 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.183 17.117 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.865 16.659 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.008 14.468 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.184 15.612 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.439 17.006 -6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.724 16.463 -5.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.957 15.513 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.660 14.282 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.416 14.808 -7.556 1.00 0.00 H new ATOM 1081 N ALA A 65 -1.774 13.421 -3.665 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.402 12.736 -4.793 1.00 0.00 C ATOM 1083 C ALA A 65 -3.885 13.084 -4.868 1.00 0.00 C ATOM 1084 O ALA A 65 -4.468 13.149 -5.950 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.252 11.220 -4.648 1.00 0.00 C ATOM 0 H ALA A 65 -1.394 12.803 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.905 13.064 -5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.725 10.725 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.194 10.960 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.730 10.894 -3.724 1.00 0.00 H new ATOM 1091 N LEU A 66 -4.488 13.308 -3.704 1.00 0.00 N ATOM 1092 CA LEU A 66 -5.907 13.651 -3.645 1.00 0.00 C ATOM 1093 C LEU A 66 -6.083 15.168 -3.634 1.00 0.00 C ATOM 1094 O LEU A 66 -5.133 15.918 -3.852 1.00 0.00 O ATOM 1095 CB LEU A 66 -6.547 13.056 -2.384 1.00 0.00 C ATOM 1096 CG LEU A 66 -7.939 12.510 -2.717 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -7.840 11.019 -3.043 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -8.865 12.708 -1.515 1.00 0.00 C ATOM 0 H LEU A 66 -4.023 13.259 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.397 13.237 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.919 12.258 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.621 13.818 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.341 13.043 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.831 10.632 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.181 10.877 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.438 10.484 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.856 12.320 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.462 12.175 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.938 13.770 -1.283 1.00 0.00 H new ATOM 1110 N ASN A 67 -7.314 15.611 -3.379 1.00 0.00 N ATOM 1111 CA ASN A 67 -7.610 17.041 -3.343 1.00 0.00 C ATOM 1112 C ASN A 67 -7.304 17.686 -4.691 1.00 0.00 C ATOM 1113 O ASN A 67 -6.141 17.945 -4.952 1.00 0.00 O ATOM 1114 CB ASN A 67 -6.780 17.735 -2.258 1.00 0.00 C ATOM 1115 CG ASN A 67 -7.524 17.669 -0.929 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -7.650 18.676 -0.231 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -8.032 16.534 -0.533 1.00 0.00 N ATOM 1118 OXT ASN A 67 -8.238 17.913 -5.443 1.00 0.00 O ATOM 0 H ASN A 67 -8.115 15.006 -3.196 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.670 17.157 -3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.806 17.254 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.597 18.774 -2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.533 16.481 0.354 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.928 15.700 -1.110 1.00 0.00 H new TER 1125 ASN A 67