USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 587 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 -130:sc= -0.0909 USER MOD Set 1.2: A 37 GLN : amide:sc= -2.96! K(o=-3!,f=0.92) USER MOD Set 2.1: A 22 ASN : amide:sc= 0.887 K(o=0.78,f=-5.9!) USER MOD Set 2.2: A 45 ASN : amide:sc= -0.104 K(o=0.78,f=-4.9!) USER MOD Single : A 1 LYS N :NH3+ -175:sc= 0 (180deg=-0.0455) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 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 98:sc= 1.25 USER MOD Single : A 17 HIS : no HE2:sc= -0.114 K(o=-0.11,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -0.191 X(o=-0.19,f=-0.4) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -0.0072 (180deg=-0.117) USER MOD Single : A 30 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.27) 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= -0.0321 K(o=-0.032,f=-1.7!) USER MOD Single : A 46 ASN : amide:sc= 0.705 K(o=0.7,f=-5.2!) USER MOD Single : A 48 GLN : amide:sc= -0.786 K(o=-0.79,f=-2.7!) 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= -1.85 K(o=-1.8,f=-6.2!) USER MOD Single : A 61 TYR OH : rot 165:sc= -0.0641 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= -0.0348 (180deg=-0.192) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -22.251 -6.975 -1.832 1.00 54.52 N ATOM 2 CA LYS A 1 -21.355 -8.097 -1.604 1.00 22.21 C ATOM 3 C LYS A 1 -19.960 -7.573 -1.363 1.00 32.33 C ATOM 4 O LYS A 1 -19.515 -6.666 -2.068 1.00 11.51 O ATOM 5 CB LYS A 1 -21.334 -9.040 -2.816 1.00 41.23 C ATOM 6 CG LYS A 1 -22.681 -9.634 -3.195 1.00 33.10 C ATOM 7 CD LYS A 1 -22.533 -10.590 -4.366 1.00 53.20 C ATOM 8 CE LYS A 1 -23.866 -11.182 -4.800 1.00 24.25 C ATOM 9 NZ LYS A 1 -23.696 -12.172 -5.892 1.00 21.41 N ATOM 0 H1 LYS A 1 -23.228 -7.322 -1.915 1.00 54.52 H new ATOM 0 H2 LYS A 1 -22.186 -6.311 -1.034 1.00 54.52 H new ATOM 0 H3 LYS A 1 -21.981 -6.488 -2.711 1.00 54.52 H new ATOM 0 HA LYS A 1 -21.710 -8.654 -0.737 1.00 22.21 H new ATOM 0 HB2 LYS A 1 -20.941 -8.495 -3.674 1.00 41.23 H new ATOM 0 HB3 LYS A 1 -20.640 -9.855 -2.611 1.00 41.23 H new ATOM 0 HG2 LYS A 1 -23.106 -10.160 -2.340 1.00 33.10 H new ATOM 0 HG3 LYS A 1 -23.376 -8.836 -3.456 1.00 33.10 H new ATOM 0 HD2 LYS A 1 -22.081 -10.064 -5.207 1.00 53.20 H new ATOM 0 HD3 LYS A 1 -21.853 -11.396 -4.091 1.00 53.20 H new ATOM 0 HE2 LYS A 1 -24.347 -11.660 -3.947 1.00 24.25 H new ATOM 0 HE3 LYS A 1 -24.528 -10.383 -5.133 1.00 24.25 H new ATOM 0 HZ1 LYS A 1 -24.625 -12.554 -6.162 1.00 21.41 H new ATOM 0 HZ2 LYS A 1 -23.260 -11.710 -6.715 1.00 21.41 H new ATOM 0 HZ3 LYS A 1 -23.084 -12.947 -5.566 1.00 21.41 H new ATOM 23 N PRO A 2 -19.253 -8.107 -0.367 1.00 12.21 N ATOM 24 CA PRO A 2 -17.890 -7.703 -0.083 1.00 4.02 C ATOM 25 C PRO A 2 -16.893 -8.407 -1.007 1.00 51.53 C ATOM 26 O PRO A 2 -17.183 -9.482 -1.569 1.00 24.34 O ATOM 27 CB PRO A 2 -17.695 -8.162 1.359 1.00 40.54 C ATOM 28 CG PRO A 2 -18.552 -9.373 1.484 1.00 11.23 C ATOM 29 CD PRO A 2 -19.731 -9.145 0.576 1.00 1.34 C ATOM 0 HA PRO A 2 -17.725 -6.636 -0.232 1.00 4.02 H new ATOM 0 HB2 PRO A 2 -16.650 -8.393 1.564 1.00 40.54 H new ATOM 0 HB3 PRO A 2 -17.995 -7.389 2.066 1.00 40.54 H new ATOM 0 HG2 PRO A 2 -18.004 -10.270 1.194 1.00 11.23 H new ATOM 0 HG3 PRO A 2 -18.876 -9.517 2.515 1.00 11.23 H new ATOM 0 HD2 PRO A 2 -20.017 -10.058 0.055 1.00 1.34 H new ATOM 0 HD3 PRO A 2 -20.606 -8.808 1.132 1.00 1.34 H new ATOM 37 N VAL A 3 -15.752 -7.809 -1.180 1.00 43.40 N ATOM 38 CA VAL A 3 -14.716 -8.390 -1.988 1.00 34.12 C ATOM 39 C VAL A 3 -13.818 -9.208 -1.078 1.00 64.54 C ATOM 40 O VAL A 3 -13.389 -8.721 -0.026 1.00 0.03 O ATOM 41 CB VAL A 3 -13.878 -7.301 -2.711 1.00 3.04 C ATOM 42 CG1 VAL A 3 -12.868 -7.928 -3.655 1.00 23.03 C ATOM 43 CG2 VAL A 3 -14.782 -6.337 -3.463 1.00 54.13 C ATOM 0 H VAL A 3 -15.511 -6.908 -0.768 1.00 43.40 H new ATOM 0 HA VAL A 3 -15.169 -9.016 -2.757 1.00 34.12 H new ATOM 0 HB VAL A 3 -13.331 -6.741 -1.952 1.00 3.04 H new ATOM 0 HG11 VAL A 3 -12.295 -7.143 -4.148 1.00 23.03 H new ATOM 0 HG12 VAL A 3 -12.192 -8.571 -3.090 1.00 23.03 H new ATOM 0 HG13 VAL A 3 -13.391 -8.521 -4.405 1.00 23.03 H new ATOM 0 HG21 VAL A 3 -14.174 -5.582 -3.962 1.00 54.13 H new ATOM 0 HG22 VAL A 3 -15.361 -6.886 -4.206 1.00 54.13 H new ATOM 0 HG23 VAL A 3 -15.460 -5.851 -2.761 1.00 54.13 H new ATOM 53 N SER A 4 -13.561 -10.434 -1.447 1.00 32.10 N ATOM 54 CA SER A 4 -12.745 -11.294 -0.643 1.00 41.41 C ATOM 55 C SER A 4 -11.270 -11.062 -0.964 1.00 13.44 C ATOM 56 O SER A 4 -10.728 -11.602 -1.941 1.00 1.44 O ATOM 57 CB SER A 4 -13.154 -12.771 -0.835 1.00 62.24 C ATOM 58 OG SER A 4 -12.381 -13.655 -0.033 1.00 60.34 O ATOM 0 H SER A 4 -13.909 -10.859 -2.306 1.00 32.10 H new ATOM 0 HA SER A 4 -12.899 -11.054 0.409 1.00 41.41 H new ATOM 0 HB2 SER A 4 -14.209 -12.888 -0.587 1.00 62.24 H new ATOM 0 HB3 SER A 4 -13.041 -13.043 -1.884 1.00 62.24 H new ATOM 0 HG SER A 4 -12.675 -14.577 -0.186 1.00 60.34 H new ATOM 64 N LEU A 5 -10.658 -10.212 -0.188 1.00 2.22 N ATOM 65 CA LEU A 5 -9.261 -9.896 -0.330 1.00 31.52 C ATOM 66 C LEU A 5 -8.551 -10.281 0.933 1.00 11.24 C ATOM 67 O LEU A 5 -9.058 -10.031 2.032 1.00 45.11 O ATOM 68 CB LEU A 5 -9.066 -8.392 -0.565 1.00 34.01 C ATOM 69 CG LEU A 5 -9.716 -7.797 -1.810 1.00 23.34 C ATOM 70 CD1 LEU A 5 -9.502 -6.299 -1.847 1.00 72.24 C ATOM 71 CD2 LEU A 5 -9.152 -8.440 -3.068 1.00 23.14 C ATOM 0 H LEU A 5 -11.120 -9.712 0.571 1.00 2.22 H new ATOM 0 HA LEU A 5 -8.860 -10.442 -1.184 1.00 31.52 H new ATOM 0 HB2 LEU A 5 -9.451 -7.860 0.305 1.00 34.01 H new ATOM 0 HB3 LEU A 5 -7.996 -8.192 -0.613 1.00 34.01 H new ATOM 0 HG LEU A 5 -10.786 -7.999 -1.770 1.00 23.34 H new ATOM 0 HD11 LEU A 5 -9.971 -5.886 -2.740 1.00 72.24 H new ATOM 0 HD12 LEU A 5 -9.947 -5.846 -0.961 1.00 72.24 H new ATOM 0 HD13 LEU A 5 -8.433 -6.084 -1.866 1.00 72.24 H new ATOM 0 HD21 LEU A 5 -9.628 -8.002 -3.945 1.00 23.14 H new ATOM 0 HD22 LEU A 5 -8.077 -8.267 -3.114 1.00 23.14 H new ATOM 0 HD23 LEU A 5 -9.346 -9.512 -3.047 1.00 23.14 H new ATOM 83 N SER A 6 -7.417 -10.881 0.804 1.00 40.22 N ATOM 84 CA SER A 6 -6.652 -11.239 1.946 1.00 4.33 C ATOM 85 C SER A 6 -5.866 -10.006 2.375 1.00 3.01 C ATOM 86 O SER A 6 -5.450 -9.197 1.520 1.00 32.54 O ATOM 87 CB SER A 6 -5.720 -12.408 1.604 1.00 71.20 C ATOM 88 OG SER A 6 -4.992 -12.848 2.741 1.00 64.40 O ATOM 0 H SER A 6 -6.997 -11.135 -0.090 1.00 40.22 H new ATOM 0 HA SER A 6 -7.294 -11.567 2.764 1.00 4.33 H new ATOM 0 HB2 SER A 6 -6.306 -13.236 1.204 1.00 71.20 H new ATOM 0 HB3 SER A 6 -5.025 -12.103 0.822 1.00 71.20 H new ATOM 0 HG SER A 6 -4.410 -13.594 2.488 1.00 64.40 H new ATOM 94 N TYR A 7 -5.685 -9.820 3.663 1.00 3.35 N ATOM 95 CA TYR A 7 -4.970 -8.665 4.127 1.00 53.21 C ATOM 96 C TYR A 7 -3.483 -8.869 3.942 1.00 13.03 C ATOM 97 O TYR A 7 -2.813 -9.532 4.746 1.00 75.32 O ATOM 98 CB TYR A 7 -5.308 -8.304 5.577 1.00 63.30 C ATOM 99 CG TYR A 7 -4.677 -6.993 6.041 1.00 22.12 C ATOM 100 CD1 TYR A 7 -5.286 -5.778 5.764 1.00 61.43 C ATOM 101 CD2 TYR A 7 -3.476 -6.972 6.743 1.00 21.52 C ATOM 102 CE1 TYR A 7 -4.725 -4.583 6.171 1.00 4.21 C ATOM 103 CE2 TYR A 7 -2.906 -5.784 7.152 1.00 41.15 C ATOM 104 CZ TYR A 7 -3.534 -4.591 6.866 1.00 43.44 C ATOM 105 OH TYR A 7 -2.959 -3.395 7.272 1.00 2.44 O ATOM 0 H TYR A 7 -6.020 -10.447 4.395 1.00 3.35 H new ATOM 0 HA TYR A 7 -5.289 -7.816 3.523 1.00 53.21 H new ATOM 0 HB2 TYR A 7 -6.391 -8.234 5.683 1.00 63.30 H new ATOM 0 HB3 TYR A 7 -4.975 -9.110 6.231 1.00 63.30 H new ATOM 0 HD1 TYR A 7 -6.218 -5.766 5.219 1.00 61.43 H new ATOM 0 HD2 TYR A 7 -2.980 -7.904 6.972 1.00 21.52 H new ATOM 0 HE1 TYR A 7 -5.216 -3.648 5.946 1.00 4.21 H new ATOM 0 HE2 TYR A 7 -1.972 -5.789 7.694 1.00 41.15 H new ATOM 0 HH TYR A 7 -2.124 -3.579 7.750 1.00 2.44 H new ATOM 115 N ARG A 8 -2.999 -8.369 2.847 1.00 22.13 N ATOM 116 CA ARG A 8 -1.593 -8.424 2.520 1.00 12.22 C ATOM 117 C ARG A 8 -0.981 -7.106 2.927 1.00 61.43 C ATOM 118 O ARG A 8 0.056 -7.039 3.568 1.00 70.40 O ATOM 119 CB ARG A 8 -1.418 -8.549 1.010 1.00 75.34 C ATOM 120 CG ARG A 8 -2.161 -9.687 0.343 1.00 52.12 C ATOM 121 CD ARG A 8 -1.955 -9.615 -1.158 1.00 13.45 C ATOM 122 NE ARG A 8 -2.687 -10.636 -1.885 1.00 13.24 N ATOM 123 CZ ARG A 8 -2.505 -10.920 -3.178 1.00 64.35 C ATOM 124 NH1 ARG A 8 -1.575 -10.271 -3.888 1.00 33.12 N ATOM 125 NH2 ARG A 8 -3.254 -11.843 -3.759 1.00 62.00 N ATOM 0 H ARG A 8 -3.570 -7.904 2.141 1.00 22.13 H new ATOM 0 HA ARG A 8 -1.130 -9.272 3.025 1.00 12.22 H new ATOM 0 HB2 ARG A 8 -1.738 -7.614 0.549 1.00 75.34 H new ATOM 0 HB3 ARG A 8 -0.355 -8.662 0.796 1.00 75.34 H new ATOM 0 HG2 ARG A 8 -1.802 -10.643 0.725 1.00 52.12 H new ATOM 0 HG3 ARG A 8 -3.224 -9.629 0.578 1.00 52.12 H new ATOM 0 HD2 ARG A 8 -2.264 -8.632 -1.514 1.00 13.45 H new ATOM 0 HD3 ARG A 8 -0.892 -9.713 -1.378 1.00 13.45 H new ATOM 0 HE ARG A 8 -3.388 -11.173 -1.374 1.00 13.24 H new ATOM 0 HH11 ARG A 8 -1.001 -9.555 -3.443 1.00 33.12 H new ATOM 0 HH12 ARG A 8 -1.440 -10.492 -4.875 1.00 33.12 H new ATOM 0 HH21 ARG A 8 -3.967 -12.335 -3.220 1.00 62.00 H new ATOM 0 HH22 ARG A 8 -3.118 -12.063 -4.746 1.00 62.00 H new ATOM 139 N CYS A 9 -1.663 -6.068 2.546 1.00 34.24 N ATOM 140 CA CYS A 9 -1.246 -4.719 2.743 1.00 31.23 C ATOM 141 C CYS A 9 -2.463 -3.880 3.092 1.00 43.05 C ATOM 142 O CYS A 9 -3.584 -4.267 2.749 1.00 55.14 O ATOM 143 CB CYS A 9 -0.580 -4.235 1.459 1.00 40.24 C ATOM 144 SG CYS A 9 -1.554 -4.565 -0.045 1.00 42.11 S ATOM 0 H CYS A 9 -2.562 -6.145 2.070 1.00 34.24 H new ATOM 0 HA CYS A 9 -0.530 -4.636 3.561 1.00 31.23 H new ATOM 0 HB2 CYS A 9 -0.400 -3.163 1.536 1.00 40.24 H new ATOM 0 HB3 CYS A 9 0.394 -4.715 1.363 1.00 40.24 H new ATOM 149 N PRO A 10 -2.273 -2.742 3.791 1.00 45.21 N ATOM 150 CA PRO A 10 -3.381 -1.895 4.251 1.00 4.45 C ATOM 151 C PRO A 10 -4.237 -1.296 3.131 1.00 62.20 C ATOM 152 O PRO A 10 -5.451 -1.463 3.118 1.00 51.54 O ATOM 153 CB PRO A 10 -2.687 -0.784 5.047 1.00 70.33 C ATOM 154 CG PRO A 10 -1.280 -0.783 4.563 1.00 74.30 C ATOM 155 CD PRO A 10 -0.966 -2.201 4.216 1.00 64.13 C ATOM 0 HA PRO A 10 -4.092 -2.487 4.827 1.00 4.45 H new ATOM 0 HB2 PRO A 10 -3.164 0.181 4.875 1.00 70.33 H new ATOM 0 HB3 PRO A 10 -2.735 -0.977 6.119 1.00 70.33 H new ATOM 0 HG2 PRO A 10 -1.166 -0.134 3.695 1.00 74.30 H new ATOM 0 HG3 PRO A 10 -0.603 -0.410 5.331 1.00 74.30 H new ATOM 0 HD2 PRO A 10 -0.225 -2.266 3.419 1.00 64.13 H new ATOM 0 HD3 PRO A 10 -0.564 -2.745 5.071 1.00 64.13 H new ATOM 163 N CYS A 11 -3.616 -0.623 2.195 1.00 15.55 N ATOM 164 CA CYS A 11 -4.367 0.076 1.181 1.00 15.25 C ATOM 165 C CYS A 11 -4.415 -0.704 -0.113 1.00 71.01 C ATOM 166 O CYS A 11 -3.385 -0.970 -0.733 1.00 4.11 O ATOM 167 CB CYS A 11 -3.760 1.448 0.936 1.00 43.23 C ATOM 168 SG CYS A 11 -3.613 2.476 2.436 1.00 4.30 S ATOM 0 H CYS A 11 -2.602 -0.544 2.113 1.00 15.55 H new ATOM 0 HA CYS A 11 -5.389 0.189 1.543 1.00 15.25 H new ATOM 0 HB2 CYS A 11 -2.771 1.322 0.496 1.00 43.23 H new ATOM 0 HB3 CYS A 11 -4.369 1.978 0.204 1.00 43.23 H new ATOM 173 N ARG A 12 -5.608 -1.081 -0.516 1.00 14.40 N ATOM 174 CA ARG A 12 -5.798 -1.755 -1.784 1.00 21.53 C ATOM 175 C ARG A 12 -6.047 -0.713 -2.860 1.00 23.10 C ATOM 176 O ARG A 12 -5.963 -0.987 -4.061 1.00 71.23 O ATOM 177 CB ARG A 12 -6.950 -2.765 -1.710 1.00 11.20 C ATOM 178 CG ARG A 12 -6.718 -3.888 -0.698 1.00 74.11 C ATOM 179 CD ARG A 12 -5.451 -4.681 -1.018 1.00 23.50 C ATOM 180 NE ARG A 12 -5.504 -5.306 -2.351 1.00 23.12 N ATOM 181 CZ ARG A 12 -4.436 -5.709 -3.058 1.00 62.33 C ATOM 182 NH1 ARG A 12 -3.210 -5.529 -2.593 1.00 25.34 N ATOM 183 NH2 ARG A 12 -4.603 -6.280 -4.233 1.00 0.52 N ATOM 0 H ARG A 12 -6.465 -0.932 0.017 1.00 14.40 H new ATOM 0 HA ARG A 12 -4.899 -2.320 -2.030 1.00 21.53 H new ATOM 0 HB2 ARG A 12 -7.868 -2.238 -1.450 1.00 11.20 H new ATOM 0 HB3 ARG A 12 -7.102 -3.203 -2.697 1.00 11.20 H new ATOM 0 HG2 ARG A 12 -6.640 -3.465 0.304 1.00 74.11 H new ATOM 0 HG3 ARG A 12 -7.577 -4.559 -0.695 1.00 74.11 H new ATOM 0 HD2 ARG A 12 -4.587 -4.019 -0.964 1.00 23.50 H new ATOM 0 HD3 ARG A 12 -5.308 -5.454 -0.262 1.00 23.50 H new ATOM 0 HE ARG A 12 -6.424 -5.443 -2.770 1.00 23.12 H new ATOM 0 HH11 ARG A 12 -3.069 -5.080 -1.688 1.00 25.34 H new ATOM 0 HH12 ARG A 12 -2.407 -5.840 -3.139 1.00 25.34 H new ATOM 0 HH21 ARG A 12 -5.543 -6.416 -4.605 1.00 0.52 H new ATOM 0 HH22 ARG A 12 -3.792 -6.586 -4.771 1.00 0.52 H new ATOM 197 N PHE A 13 -6.368 0.476 -2.409 1.00 22.43 N ATOM 198 CA PHE A 13 -6.535 1.629 -3.252 1.00 34.13 C ATOM 199 C PHE A 13 -5.631 2.720 -2.731 1.00 12.41 C ATOM 200 O PHE A 13 -5.433 2.840 -1.516 1.00 21.31 O ATOM 201 CB PHE A 13 -7.986 2.139 -3.244 1.00 2.32 C ATOM 202 CG PHE A 13 -9.006 1.174 -3.776 1.00 4.12 C ATOM 203 CD1 PHE A 13 -9.233 1.071 -5.140 1.00 73.53 C ATOM 204 CD2 PHE A 13 -9.750 0.384 -2.916 1.00 25.51 C ATOM 205 CE1 PHE A 13 -10.181 0.197 -5.634 1.00 11.45 C ATOM 206 CE2 PHE A 13 -10.697 -0.493 -3.404 1.00 61.34 C ATOM 207 CZ PHE A 13 -10.913 -0.586 -4.767 1.00 33.45 C ATOM 0 H PHE A 13 -6.524 0.670 -1.420 1.00 22.43 H new ATOM 0 HA PHE A 13 -6.285 1.353 -4.276 1.00 34.13 H new ATOM 0 HB2 PHE A 13 -8.256 2.401 -2.221 1.00 2.32 H new ATOM 0 HB3 PHE A 13 -8.035 3.056 -3.832 1.00 2.32 H new ATOM 0 HD1 PHE A 13 -8.662 1.681 -5.824 1.00 73.53 H new ATOM 0 HD2 PHE A 13 -9.587 0.455 -1.851 1.00 25.51 H new ATOM 0 HE1 PHE A 13 -10.349 0.127 -6.699 1.00 11.45 H new ATOM 0 HE2 PHE A 13 -11.269 -1.106 -2.723 1.00 61.34 H new ATOM 0 HZ PHE A 13 -11.654 -1.271 -5.152 1.00 33.45 H new ATOM 217 N PHE A 14 -5.070 3.481 -3.613 1.00 65.13 N ATOM 218 CA PHE A 14 -4.221 4.579 -3.230 1.00 12.44 C ATOM 219 C PHE A 14 -4.947 5.873 -3.492 1.00 62.54 C ATOM 220 O PHE A 14 -5.777 5.942 -4.416 1.00 4.14 O ATOM 221 CB PHE A 14 -2.911 4.608 -4.001 1.00 62.00 C ATOM 222 CG PHE A 14 -2.065 3.369 -3.959 1.00 24.10 C ATOM 223 CD1 PHE A 14 -1.947 2.603 -2.811 1.00 12.20 C ATOM 224 CD2 PHE A 14 -1.372 2.983 -5.090 1.00 33.15 C ATOM 225 CE1 PHE A 14 -1.155 1.474 -2.802 1.00 0.20 C ATOM 226 CE2 PHE A 14 -0.580 1.868 -5.093 1.00 44.24 C ATOM 227 CZ PHE A 14 -0.466 1.103 -3.948 1.00 41.33 C ATOM 0 H PHE A 14 -5.182 3.366 -4.620 1.00 65.13 H new ATOM 0 HA PHE A 14 -3.987 4.450 -2.173 1.00 12.44 H new ATOM 0 HB2 PHE A 14 -3.137 4.828 -5.044 1.00 62.00 H new ATOM 0 HB3 PHE A 14 -2.314 5.438 -3.623 1.00 62.00 H new ATOM 0 HD1 PHE A 14 -2.479 2.892 -1.917 1.00 12.20 H new ATOM 0 HD2 PHE A 14 -1.457 3.574 -5.990 1.00 33.15 H new ATOM 0 HE1 PHE A 14 -1.071 0.879 -1.904 1.00 0.20 H new ATOM 0 HE2 PHE A 14 -0.045 1.586 -5.988 1.00 44.24 H new ATOM 0 HZ PHE A 14 0.156 0.220 -3.945 1.00 41.33 H new ATOM 237 N GLU A 15 -4.667 6.888 -2.686 1.00 51.45 N ATOM 238 CA GLU A 15 -5.264 8.183 -2.854 1.00 33.33 C ATOM 239 C GLU A 15 -4.850 8.722 -4.225 1.00 43.40 C ATOM 240 O GLU A 15 -5.650 9.340 -4.945 1.00 53.43 O ATOM 241 CB GLU A 15 -4.744 9.084 -1.750 1.00 32.42 C ATOM 242 CG GLU A 15 -5.257 10.496 -1.769 1.00 14.35 C ATOM 243 CD GLU A 15 -6.738 10.609 -1.492 1.00 22.42 C ATOM 244 OE1 GLU A 15 -7.543 10.309 -2.376 1.00 71.15 O ATOM 245 OE2 GLU A 15 -7.123 11.015 -0.379 1.00 62.22 O ATOM 0 H GLU A 15 -4.019 6.825 -1.901 1.00 51.45 H new ATOM 0 HA GLU A 15 -6.352 8.136 -2.800 1.00 33.33 H new ATOM 0 HB2 GLU A 15 -5.000 8.636 -0.790 1.00 32.42 H new ATOM 0 HB3 GLU A 15 -3.656 9.111 -1.810 1.00 32.42 H new ATOM 0 HG2 GLU A 15 -4.712 11.081 -1.028 1.00 14.35 H new ATOM 0 HG3 GLU A 15 -5.044 10.937 -2.743 1.00 14.35 H new ATOM 252 N SER A 16 -3.595 8.439 -4.569 1.00 4.54 N ATOM 253 CA SER A 16 -2.971 8.768 -5.844 1.00 65.42 C ATOM 254 C SER A 16 -2.746 10.273 -6.025 1.00 72.31 C ATOM 255 O SER A 16 -1.613 10.710 -6.236 1.00 62.32 O ATOM 256 CB SER A 16 -3.738 8.131 -7.020 1.00 54.11 C ATOM 257 OG SER A 16 -3.049 8.299 -8.248 1.00 13.13 O ATOM 0 H SER A 16 -2.959 7.953 -3.937 1.00 4.54 H new ATOM 0 HA SER A 16 -1.974 8.329 -5.836 1.00 65.42 H new ATOM 0 HB2 SER A 16 -3.883 7.068 -6.827 1.00 54.11 H new ATOM 0 HB3 SER A 16 -4.729 8.580 -7.094 1.00 54.11 H new ATOM 0 HG SER A 16 -2.537 7.488 -8.449 1.00 13.13 H new ATOM 263 N HIS A 17 -3.802 11.067 -5.931 1.00 63.23 N ATOM 264 CA HIS A 17 -3.662 12.500 -6.035 1.00 74.14 C ATOM 265 C HIS A 17 -3.179 13.039 -4.708 1.00 20.13 C ATOM 266 O HIS A 17 -3.958 13.503 -3.874 1.00 31.12 O ATOM 267 CB HIS A 17 -4.958 13.194 -6.470 1.00 32.41 C ATOM 268 CG HIS A 17 -4.715 14.619 -6.833 1.00 42.23 C ATOM 269 ND1 HIS A 17 -4.485 15.590 -5.907 1.00 41.34 N ATOM 270 CD2 HIS A 17 -4.554 15.206 -8.035 1.00 51.33 C ATOM 271 CE1 HIS A 17 -4.179 16.695 -6.507 1.00 33.23 C ATOM 272 NE2 HIS A 17 -4.216 16.502 -7.801 1.00 34.21 N ATOM 0 H HIS A 17 -4.757 10.740 -5.784 1.00 63.23 H new ATOM 0 HA HIS A 17 -2.932 12.715 -6.816 1.00 74.14 H new ATOM 0 HB2 HIS A 17 -5.386 12.667 -7.323 1.00 32.41 H new ATOM 0 HB3 HIS A 17 -5.689 13.142 -5.663 1.00 32.41 H new ATOM 0 HD1 HIS A 17 -4.545 15.466 -4.896 1.00 41.34 H new ATOM 0 HD2 HIS A 17 -4.671 14.736 -9.001 1.00 51.33 H new ATOM 0 HE1 HIS A 17 -3.933 17.626 -6.019 1.00 33.23 H new ATOM 281 N VAL A 18 -1.909 12.884 -4.495 1.00 74.30 N ATOM 282 CA VAL A 18 -1.251 13.336 -3.309 1.00 21.15 C ATOM 283 C VAL A 18 -0.102 14.217 -3.726 1.00 62.12 C ATOM 284 O VAL A 18 0.649 13.862 -4.647 1.00 15.40 O ATOM 285 CB VAL A 18 -0.695 12.143 -2.481 1.00 44.43 C ATOM 286 CG1 VAL A 18 -0.069 12.629 -1.198 1.00 50.15 C ATOM 287 CG2 VAL A 18 -1.780 11.125 -2.184 1.00 4.41 C ATOM 0 H VAL A 18 -1.285 12.427 -5.160 1.00 74.30 H new ATOM 0 HA VAL A 18 -1.965 13.876 -2.688 1.00 21.15 H new ATOM 0 HB VAL A 18 0.073 11.654 -3.081 1.00 44.43 H new ATOM 0 HG11 VAL A 18 0.313 11.778 -0.634 1.00 50.15 H new ATOM 0 HG12 VAL A 18 0.751 13.310 -1.428 1.00 50.15 H new ATOM 0 HG13 VAL A 18 -0.818 13.151 -0.603 1.00 50.15 H new ATOM 0 HG21 VAL A 18 -1.359 10.304 -1.604 1.00 4.41 H new ATOM 0 HG22 VAL A 18 -2.578 11.600 -1.614 1.00 4.41 H new ATOM 0 HG23 VAL A 18 -2.183 10.739 -3.120 1.00 4.41 H new ATOM 297 N ALA A 19 0.013 15.356 -3.112 1.00 0.13 N ATOM 298 CA ALA A 19 1.080 16.260 -3.402 1.00 33.33 C ATOM 299 C ALA A 19 1.973 16.457 -2.178 1.00 15.14 C ATOM 300 O ALA A 19 1.515 16.327 -1.043 1.00 50.40 O ATOM 301 CB ALA A 19 0.528 17.570 -3.901 1.00 71.51 C ATOM 0 H ALA A 19 -0.633 15.684 -2.394 1.00 0.13 H new ATOM 0 HA ALA A 19 1.700 15.832 -4.190 1.00 33.33 H new ATOM 0 HB1 ALA A 19 1.350 18.252 -4.119 1.00 71.51 H new ATOM 0 HB2 ALA A 19 -0.052 17.399 -4.808 1.00 71.51 H new ATOM 0 HB3 ALA A 19 -0.114 18.009 -3.137 1.00 71.51 H new ATOM 307 N ARG A 20 3.235 16.783 -2.430 1.00 12.34 N ATOM 308 CA ARG A 20 4.283 16.940 -1.410 1.00 11.24 C ATOM 309 C ARG A 20 3.895 17.867 -0.240 1.00 71.44 C ATOM 310 O ARG A 20 4.137 17.529 0.916 1.00 44.21 O ATOM 311 CB ARG A 20 5.564 17.438 -2.093 1.00 74.04 C ATOM 312 CG ARG A 20 6.755 17.708 -1.176 1.00 14.40 C ATOM 313 CD ARG A 20 7.233 16.478 -0.434 1.00 0.44 C ATOM 314 NE ARG A 20 8.412 16.795 0.390 1.00 43.15 N ATOM 315 CZ ARG A 20 9.123 15.931 1.133 1.00 31.14 C ATOM 316 NH1 ARG A 20 8.788 14.652 1.196 1.00 3.22 N ATOM 317 NH2 ARG A 20 10.176 16.359 1.807 1.00 54.25 N ATOM 0 H ARG A 20 3.575 16.952 -3.377 1.00 12.34 H new ATOM 0 HA ARG A 20 4.438 15.961 -0.956 1.00 11.24 H new ATOM 0 HB2 ARG A 20 5.865 16.700 -2.837 1.00 74.04 H new ATOM 0 HB3 ARG A 20 5.331 18.357 -2.631 1.00 74.04 H new ATOM 0 HG2 ARG A 20 7.577 18.108 -1.769 1.00 14.40 H new ATOM 0 HG3 ARG A 20 6.481 18.476 -0.453 1.00 14.40 H new ATOM 0 HD2 ARG A 20 6.433 16.095 0.199 1.00 0.44 H new ATOM 0 HD3 ARG A 20 7.481 15.691 -1.146 1.00 0.44 H new ATOM 0 HE ARG A 20 8.719 17.768 0.397 1.00 43.15 H new ATOM 0 HH11 ARG A 20 7.980 14.310 0.676 1.00 3.22 H new ATOM 0 HH12 ARG A 20 9.338 14.008 1.765 1.00 3.22 H new ATOM 0 HH21 ARG A 20 10.446 17.342 1.762 1.00 54.25 H new ATOM 0 HH22 ARG A 20 10.719 15.707 2.373 1.00 54.25 H new ATOM 331 N ALA A 21 3.294 19.004 -0.530 1.00 31.33 N ATOM 332 CA ALA A 21 2.975 19.976 0.523 1.00 63.14 C ATOM 333 C ALA A 21 1.770 19.563 1.355 1.00 15.13 C ATOM 334 O ALA A 21 1.625 19.982 2.498 1.00 13.41 O ATOM 335 CB ALA A 21 2.764 21.352 -0.059 1.00 14.44 C ATOM 0 H ALA A 21 3.016 19.285 -1.470 1.00 31.33 H new ATOM 0 HA ALA A 21 3.835 20.002 1.192 1.00 63.14 H new ATOM 0 HB1 ALA A 21 2.529 22.054 0.741 1.00 14.44 H new ATOM 0 HB2 ALA A 21 3.672 21.674 -0.569 1.00 14.44 H new ATOM 0 HB3 ALA A 21 1.939 21.324 -0.770 1.00 14.44 H new ATOM 341 N ASN A 22 0.926 18.727 0.791 1.00 52.41 N ATOM 342 CA ASN A 22 -0.282 18.259 1.483 1.00 25.24 C ATOM 343 C ASN A 22 0.070 17.106 2.418 1.00 54.02 C ATOM 344 O ASN A 22 -0.738 16.653 3.223 1.00 53.02 O ATOM 345 CB ASN A 22 -1.355 17.842 0.441 1.00 0.42 C ATOM 346 CG ASN A 22 -2.674 17.316 1.032 1.00 60.45 C ATOM 347 OD1 ASN A 22 -3.073 17.667 2.139 1.00 63.11 O ATOM 348 ND2 ASN A 22 -3.367 16.497 0.276 1.00 21.40 N ATOM 0 H ASN A 22 1.044 18.349 -0.149 1.00 52.41 H new ATOM 0 HA ASN A 22 -0.696 19.066 2.088 1.00 25.24 H new ATOM 0 HB2 ASN A 22 -1.577 18.701 -0.192 1.00 0.42 H new ATOM 0 HB3 ASN A 22 -0.932 17.072 -0.204 1.00 0.42 H new ATOM 0 HD21 ASN A 22 -4.262 16.135 0.604 1.00 21.40 H new ATOM 0 HD22 ASN A 22 -3.010 16.223 -0.639 1.00 21.40 H new ATOM 355 N VAL A 23 1.287 16.661 2.347 1.00 13.51 N ATOM 356 CA VAL A 23 1.695 15.554 3.164 1.00 31.42 C ATOM 357 C VAL A 23 2.345 16.006 4.466 1.00 12.44 C ATOM 358 O VAL A 23 3.343 16.744 4.471 1.00 41.30 O ATOM 359 CB VAL A 23 2.612 14.569 2.428 1.00 44.00 C ATOM 360 CG1 VAL A 23 2.999 13.443 3.339 1.00 51.14 C ATOM 361 CG2 VAL A 23 1.948 14.036 1.179 1.00 24.40 C ATOM 0 H VAL A 23 2.011 17.042 1.738 1.00 13.51 H new ATOM 0 HA VAL A 23 0.774 15.024 3.406 1.00 31.42 H new ATOM 0 HB VAL A 23 3.513 15.103 2.126 1.00 44.00 H new ATOM 0 HG11 VAL A 23 3.650 12.750 2.805 1.00 51.14 H new ATOM 0 HG12 VAL A 23 3.526 13.841 4.206 1.00 51.14 H new ATOM 0 HG13 VAL A 23 2.103 12.918 3.669 1.00 51.14 H new ATOM 0 HG21 VAL A 23 2.621 13.340 0.678 1.00 24.40 H new ATOM 0 HG22 VAL A 23 1.027 13.519 1.449 1.00 24.40 H new ATOM 0 HG23 VAL A 23 1.717 14.864 0.509 1.00 24.40 H new ATOM 371 N LYS A 24 1.752 15.568 5.552 1.00 20.43 N ATOM 372 CA LYS A 24 2.210 15.819 6.883 1.00 1.24 C ATOM 373 C LYS A 24 3.304 14.806 7.225 1.00 22.05 C ATOM 374 O LYS A 24 4.417 15.153 7.619 1.00 45.31 O ATOM 375 CB LYS A 24 1.049 15.544 7.853 1.00 63.13 C ATOM 376 CG LYS A 24 1.330 15.993 9.251 1.00 3.52 C ATOM 377 CD LYS A 24 1.086 17.464 9.374 1.00 40.03 C ATOM 378 CE LYS A 24 -0.389 17.736 9.637 1.00 11.13 C ATOM 379 NZ LYS A 24 -0.658 19.150 9.954 1.00 52.42 N ATOM 0 H LYS A 24 0.902 15.004 5.522 1.00 20.43 H new ATOM 0 HA LYS A 24 2.573 16.844 6.960 1.00 1.24 H new ATOM 0 HB2 LYS A 24 0.153 16.048 7.490 1.00 63.13 H new ATOM 0 HB3 LYS A 24 0.834 14.476 7.858 1.00 63.13 H new ATOM 0 HG2 LYS A 24 0.694 15.451 9.951 1.00 3.52 H new ATOM 0 HG3 LYS A 24 2.362 15.764 9.515 1.00 3.52 H new ATOM 0 HD2 LYS A 24 1.688 17.873 10.185 1.00 40.03 H new ATOM 0 HD3 LYS A 24 1.398 17.969 8.460 1.00 40.03 H new ATOM 0 HE2 LYS A 24 -0.970 17.447 8.761 1.00 11.13 H new ATOM 0 HE3 LYS A 24 -0.728 17.112 10.464 1.00 11.13 H new ATOM 0 HZ1 LYS A 24 -1.676 19.280 10.124 1.00 52.42 H new ATOM 0 HZ2 LYS A 24 -0.127 19.422 10.806 1.00 52.42 H new ATOM 0 HZ3 LYS A 24 -0.361 19.747 9.156 1.00 52.42 H new ATOM 393 N HIS A 25 2.954 13.557 7.033 1.00 62.34 N ATOM 394 CA HIS A 25 3.748 12.410 7.445 1.00 71.23 C ATOM 395 C HIS A 25 3.969 11.454 6.290 1.00 11.01 C ATOM 396 O HIS A 25 3.061 11.219 5.521 1.00 25.15 O ATOM 397 CB HIS A 25 2.997 11.706 8.604 1.00 31.22 C ATOM 398 CG HIS A 25 3.397 10.280 8.899 1.00 0.32 C ATOM 399 ND1 HIS A 25 4.217 9.913 9.930 1.00 54.34 N ATOM 400 CD2 HIS A 25 3.016 9.122 8.291 1.00 40.45 C ATOM 401 CE1 HIS A 25 4.325 8.604 9.954 1.00 3.21 C ATOM 402 NE2 HIS A 25 3.604 8.096 8.971 1.00 11.51 N ATOM 0 H HIS A 25 2.082 13.296 6.572 1.00 62.34 H new ATOM 0 HA HIS A 25 4.733 12.740 7.776 1.00 71.23 H new ATOM 0 HB2 HIS A 25 3.140 12.295 9.510 1.00 31.22 H new ATOM 0 HB3 HIS A 25 1.931 11.721 8.379 1.00 31.22 H new ATOM 0 HD1 HIS A 25 4.673 10.555 10.578 1.00 54.34 H new ATOM 0 HD2 HIS A 25 2.369 9.033 7.431 1.00 40.45 H new ATOM 0 HE1 HIS A 25 4.909 8.035 10.663 1.00 3.21 H new ATOM 411 N LEU A 26 5.159 10.891 6.219 1.00 65.33 N ATOM 412 CA LEU A 26 5.525 9.914 5.203 1.00 33.12 C ATOM 413 C LEU A 26 6.189 8.694 5.821 1.00 71.30 C ATOM 414 O LEU A 26 7.145 8.815 6.578 1.00 41.13 O ATOM 415 CB LEU A 26 6.442 10.539 4.143 1.00 21.13 C ATOM 416 CG LEU A 26 5.770 11.472 3.145 1.00 23.05 C ATOM 417 CD1 LEU A 26 6.802 12.226 2.344 1.00 3.30 C ATOM 418 CD2 LEU A 26 4.912 10.662 2.193 1.00 51.50 C ATOM 0 H LEU A 26 5.913 11.100 6.874 1.00 65.33 H new ATOM 0 HA LEU A 26 4.605 9.590 4.717 1.00 33.12 H new ATOM 0 HB2 LEU A 26 7.230 11.092 4.654 1.00 21.13 H new ATOM 0 HB3 LEU A 26 6.925 9.734 3.589 1.00 21.13 H new ATOM 0 HG LEU A 26 5.156 12.183 3.698 1.00 23.05 H new ATOM 0 HD11 LEU A 26 6.302 12.887 1.637 1.00 3.30 H new ATOM 0 HD12 LEU A 26 7.424 12.817 3.016 1.00 3.30 H new ATOM 0 HD13 LEU A 26 7.428 11.519 1.799 1.00 3.30 H new ATOM 0 HD21 LEU A 26 4.431 11.330 1.479 1.00 51.50 H new ATOM 0 HD22 LEU A 26 5.537 9.948 1.658 1.00 51.50 H new ATOM 0 HD23 LEU A 26 4.150 10.125 2.757 1.00 51.50 H new ATOM 430 N LYS A 27 5.658 7.539 5.517 1.00 31.31 N ATOM 431 CA LYS A 27 6.210 6.269 5.944 1.00 41.13 C ATOM 432 C LYS A 27 6.298 5.382 4.721 1.00 23.12 C ATOM 433 O LYS A 27 5.382 5.366 3.930 1.00 15.25 O ATOM 434 CB LYS A 27 5.313 5.605 7.014 1.00 41.11 C ATOM 435 CG LYS A 27 5.835 4.249 7.504 1.00 71.34 C ATOM 436 CD LYS A 27 7.250 4.349 8.086 1.00 12.33 C ATOM 437 CE LYS A 27 7.302 5.129 9.398 1.00 73.31 C ATOM 438 NZ LYS A 27 6.567 4.439 10.482 1.00 24.13 N ATOM 0 H LYS A 27 4.812 7.447 4.954 1.00 31.31 H new ATOM 0 HA LYS A 27 7.193 6.420 6.391 1.00 41.13 H new ATOM 0 HB2 LYS A 27 5.221 6.278 7.866 1.00 41.11 H new ATOM 0 HB3 LYS A 27 4.312 5.472 6.604 1.00 41.11 H new ATOM 0 HG2 LYS A 27 5.159 3.854 8.262 1.00 71.34 H new ATOM 0 HG3 LYS A 27 5.834 3.540 6.676 1.00 71.34 H new ATOM 0 HD2 LYS A 27 7.641 3.345 8.251 1.00 12.33 H new ATOM 0 HD3 LYS A 27 7.903 4.830 7.358 1.00 12.33 H new ATOM 0 HE2 LYS A 27 8.341 5.268 9.696 1.00 73.31 H new ATOM 0 HE3 LYS A 27 6.878 6.122 9.247 1.00 73.31 H new ATOM 0 HZ1 LYS A 27 6.779 4.897 11.391 1.00 24.13 H new ATOM 0 HZ2 LYS A 27 5.545 4.493 10.297 1.00 24.13 H new ATOM 0 HZ3 LYS A 27 6.860 3.442 10.520 1.00 24.13 H new ATOM 452 N ILE A 28 7.370 4.665 4.547 1.00 23.23 N ATOM 453 CA ILE A 28 7.495 3.869 3.354 1.00 72.01 C ATOM 454 C ILE A 28 7.305 2.391 3.675 1.00 20.01 C ATOM 455 O ILE A 28 8.162 1.757 4.292 1.00 63.21 O ATOM 456 CB ILE A 28 8.836 4.116 2.639 1.00 1.12 C ATOM 457 CG1 ILE A 28 9.045 5.614 2.497 1.00 31.04 C ATOM 458 CG2 ILE A 28 8.812 3.510 1.264 1.00 45.42 C ATOM 459 CD1 ILE A 28 10.170 5.990 1.586 1.00 41.33 C ATOM 0 H ILE A 28 8.155 4.612 5.197 1.00 23.23 H new ATOM 0 HA ILE A 28 6.706 4.175 2.667 1.00 72.01 H new ATOM 0 HB ILE A 28 9.639 3.664 3.222 1.00 1.12 H new ATOM 0 HG12 ILE A 28 8.125 6.065 2.126 1.00 31.04 H new ATOM 0 HG13 ILE A 28 9.233 6.039 3.483 1.00 31.04 H new ATOM 0 HG21 ILE A 28 9.766 3.692 0.769 1.00 45.42 H new ATOM 0 HG22 ILE A 28 8.643 2.436 1.343 1.00 45.42 H new ATOM 0 HG23 ILE A 28 8.009 3.962 0.681 1.00 45.42 H new ATOM 0 HD11 ILE A 28 10.253 7.076 1.539 1.00 41.33 H new ATOM 0 HD12 ILE A 28 11.102 5.571 1.966 1.00 41.33 H new ATOM 0 HD13 ILE A 28 9.977 5.597 0.588 1.00 41.33 H new ATOM 471 N LEU A 29 6.171 1.869 3.277 1.00 10.00 N ATOM 472 CA LEU A 29 5.787 0.525 3.545 1.00 11.51 C ATOM 473 C LEU A 29 5.934 -0.297 2.245 1.00 2.53 C ATOM 474 O LEU A 29 5.533 0.134 1.179 1.00 15.02 O ATOM 475 CB LEU A 29 4.317 0.584 4.049 1.00 33.02 C ATOM 476 CG LEU A 29 3.660 -0.678 4.605 1.00 41.10 C ATOM 477 CD1 LEU A 29 2.338 -0.314 5.252 1.00 12.21 C ATOM 478 CD2 LEU A 29 3.408 -1.715 3.534 1.00 62.01 C ATOM 0 H LEU A 29 5.477 2.392 2.743 1.00 10.00 H new ATOM 0 HA LEU A 29 6.408 0.043 4.300 1.00 11.51 H new ATOM 0 HB2 LEU A 29 4.269 1.347 4.826 1.00 33.02 H new ATOM 0 HB3 LEU A 29 3.702 0.934 3.220 1.00 33.02 H new ATOM 0 HG LEU A 29 4.347 -1.107 5.334 1.00 41.10 H new ATOM 0 HD11 LEU A 29 1.868 -1.213 5.649 1.00 12.21 H new ATOM 0 HD12 LEU A 29 2.512 0.393 6.063 1.00 12.21 H new ATOM 0 HD13 LEU A 29 1.682 0.140 4.509 1.00 12.21 H new ATOM 0 HD21 LEU A 29 2.940 -2.593 3.980 1.00 62.01 H new ATOM 0 HD22 LEU A 29 2.748 -1.299 2.773 1.00 62.01 H new ATOM 0 HD23 LEU A 29 4.354 -2.002 3.076 1.00 62.01 H new ATOM 490 N ASN A 30 6.513 -1.443 2.334 1.00 41.02 N ATOM 491 CA ASN A 30 6.697 -2.279 1.166 1.00 32.25 C ATOM 492 C ASN A 30 6.171 -3.673 1.434 1.00 44.43 C ATOM 493 O ASN A 30 6.675 -4.371 2.305 1.00 42.33 O ATOM 494 CB ASN A 30 8.182 -2.325 0.775 1.00 14.34 C ATOM 495 CG ASN A 30 8.500 -3.253 -0.407 1.00 23.55 C ATOM 496 OD1 ASN A 30 9.574 -3.853 -0.452 1.00 63.01 O ATOM 497 ND2 ASN A 30 7.609 -3.345 -1.377 1.00 55.14 N ATOM 0 H ASN A 30 6.874 -1.838 3.202 1.00 41.02 H new ATOM 0 HA ASN A 30 6.136 -1.853 0.334 1.00 32.25 H new ATOM 0 HB2 ASN A 30 8.511 -1.316 0.527 1.00 14.34 H new ATOM 0 HB3 ASN A 30 8.763 -2.646 1.640 1.00 14.34 H new ATOM 0 HD21 ASN A 30 7.802 -3.926 -2.193 1.00 55.14 H new ATOM 0 HD22 ASN A 30 6.728 -2.835 -1.310 1.00 55.14 H new ATOM 504 N THR A 31 5.153 -4.068 0.711 1.00 23.42 N ATOM 505 CA THR A 31 4.594 -5.381 0.876 1.00 73.03 C ATOM 506 C THR A 31 4.912 -6.206 -0.368 1.00 3.01 C ATOM 507 O THR A 31 4.538 -5.813 -1.476 1.00 43.51 O ATOM 508 CB THR A 31 3.066 -5.321 1.051 1.00 51.42 C ATOM 509 OG1 THR A 31 2.725 -4.414 2.106 1.00 21.40 O ATOM 510 CG2 THR A 31 2.502 -6.701 1.375 1.00 42.51 C ATOM 0 H THR A 31 4.695 -3.496 0.002 1.00 23.42 H new ATOM 0 HA THR A 31 5.026 -5.832 1.769 1.00 73.03 H new ATOM 0 HB THR A 31 2.634 -4.972 0.113 1.00 51.42 H new ATOM 0 HG1 THR A 31 2.102 -4.850 2.724 1.00 21.40 H new ATOM 0 HG21 THR A 31 1.421 -6.633 1.494 1.00 42.51 H new ATOM 0 HG22 THR A 31 2.735 -7.389 0.563 1.00 42.51 H new ATOM 0 HG23 THR A 31 2.947 -7.068 2.300 1.00 42.51 H new ATOM 518 N PRO A 32 5.594 -7.357 -0.194 1.00 55.21 N ATOM 519 CA PRO A 32 5.990 -8.255 -1.303 1.00 72.23 C ATOM 520 C PRO A 32 4.824 -8.615 -2.219 1.00 71.15 C ATOM 521 O PRO A 32 4.966 -8.695 -3.434 1.00 63.13 O ATOM 522 CB PRO A 32 6.431 -9.528 -0.574 1.00 74.12 C ATOM 523 CG PRO A 32 6.883 -9.073 0.765 1.00 32.10 C ATOM 524 CD PRO A 32 6.051 -7.872 1.114 1.00 25.43 C ATOM 0 HA PRO A 32 6.744 -7.788 -1.936 1.00 72.23 H new ATOM 0 HB2 PRO A 32 5.609 -10.239 -0.491 1.00 74.12 H new ATOM 0 HB3 PRO A 32 7.235 -10.031 -1.111 1.00 74.12 H new ATOM 0 HG2 PRO A 32 6.754 -9.862 1.506 1.00 32.10 H new ATOM 0 HG3 PRO A 32 7.943 -8.819 0.750 1.00 32.10 H new ATOM 0 HD2 PRO A 32 5.210 -8.142 1.752 1.00 25.43 H new ATOM 0 HD3 PRO A 32 6.634 -7.126 1.654 1.00 25.43 H new ATOM 532 N ASN A 33 3.672 -8.802 -1.622 1.00 14.30 N ATOM 533 CA ASN A 33 2.511 -9.294 -2.339 1.00 74.32 C ATOM 534 C ASN A 33 1.608 -8.160 -2.803 1.00 5.03 C ATOM 535 O ASN A 33 0.460 -8.403 -3.186 1.00 61.22 O ATOM 536 CB ASN A 33 1.710 -10.238 -1.441 1.00 1.03 C ATOM 537 CG ASN A 33 2.561 -11.308 -0.799 1.00 72.44 C ATOM 538 OD1 ASN A 33 3.051 -11.127 0.313 1.00 43.23 O ATOM 539 ND2 ASN A 33 2.777 -12.393 -1.483 1.00 0.55 N ATOM 0 H ASN A 33 3.509 -8.620 -0.632 1.00 14.30 H new ATOM 0 HA ASN A 33 2.871 -9.824 -3.221 1.00 74.32 H new ATOM 0 HB2 ASN A 33 1.217 -9.657 -0.661 1.00 1.03 H new ATOM 0 HB3 ASN A 33 0.925 -10.711 -2.030 1.00 1.03 H new ATOM 0 HD21 ASN A 33 3.370 -13.128 -1.099 1.00 0.55 H new ATOM 0 HD22 ASN A 33 2.353 -12.508 -2.404 1.00 0.55 H new ATOM 546 N CYS A 34 2.105 -6.938 -2.778 1.00 71.11 N ATOM 547 CA CYS A 34 1.307 -5.805 -3.220 1.00 0.20 C ATOM 548 C CYS A 34 2.101 -4.870 -4.107 1.00 15.11 C ATOM 549 O CYS A 34 2.005 -4.946 -5.339 1.00 44.35 O ATOM 550 CB CYS A 34 0.693 -5.029 -2.043 1.00 62.32 C ATOM 551 SG CYS A 34 -0.462 -5.987 -1.008 1.00 74.24 S ATOM 0 H CYS A 34 3.046 -6.703 -2.461 1.00 71.11 H new ATOM 0 HA CYS A 34 0.489 -6.222 -3.807 1.00 0.20 H new ATOM 0 HB2 CYS A 34 1.500 -4.657 -1.412 1.00 62.32 H new ATOM 0 HB3 CYS A 34 0.169 -4.158 -2.436 1.00 62.32 H new ATOM 556 N ALA A 35 2.933 -4.033 -3.488 1.00 1.23 N ATOM 557 CA ALA A 35 3.681 -3.000 -4.178 1.00 74.32 C ATOM 558 C ALA A 35 4.435 -2.201 -3.158 1.00 52.20 C ATOM 559 O ALA A 35 4.451 -2.553 -1.950 1.00 20.31 O ATOM 560 CB ALA A 35 2.720 -2.060 -4.911 1.00 63.24 C ATOM 0 H ALA A 35 3.104 -4.059 -2.483 1.00 1.23 H new ATOM 0 HA ALA A 35 4.360 -3.460 -4.896 1.00 74.32 H new ATOM 0 HB1 ALA A 35 3.290 -1.287 -5.427 1.00 63.24 H new ATOM 0 HB2 ALA A 35 2.139 -2.628 -5.637 1.00 63.24 H new ATOM 0 HB3 ALA A 35 2.046 -1.595 -4.191 1.00 63.24 H new ATOM 566 N LEU A 36 5.055 -1.153 -3.609 1.00 52.35 N ATOM 567 CA LEU A 36 5.680 -0.239 -2.734 1.00 62.14 C ATOM 568 C LEU A 36 4.561 0.722 -2.359 1.00 0.30 C ATOM 569 O LEU A 36 3.859 1.223 -3.224 1.00 63.42 O ATOM 570 CB LEU A 36 6.800 0.512 -3.456 1.00 20.11 C ATOM 571 CG LEU A 36 7.959 1.028 -2.591 1.00 33.22 C ATOM 572 CD1 LEU A 36 7.486 1.803 -1.387 1.00 54.11 C ATOM 573 CD2 LEU A 36 8.868 -0.106 -2.186 1.00 15.50 C ATOM 0 H LEU A 36 5.136 -0.917 -4.598 1.00 52.35 H new ATOM 0 HA LEU A 36 6.135 -0.724 -1.870 1.00 62.14 H new ATOM 0 HB2 LEU A 36 7.213 -0.147 -4.219 1.00 20.11 H new ATOM 0 HB3 LEU A 36 6.359 1.363 -3.975 1.00 20.11 H new ATOM 0 HG LEU A 36 8.527 1.727 -3.205 1.00 33.22 H new ATOM 0 HD11 LEU A 36 8.347 2.143 -0.812 1.00 54.11 H new ATOM 0 HD12 LEU A 36 6.905 2.665 -1.714 1.00 54.11 H new ATOM 0 HD13 LEU A 36 6.864 1.162 -0.763 1.00 54.11 H new ATOM 0 HD21 LEU A 36 9.682 0.281 -1.574 1.00 15.50 H new ATOM 0 HD22 LEU A 36 8.301 -0.840 -1.613 1.00 15.50 H new ATOM 0 HD23 LEU A 36 9.278 -0.580 -3.078 1.00 15.50 H new ATOM 585 N GLN A 37 4.380 0.949 -1.113 1.00 51.00 N ATOM 586 CA GLN A 37 3.266 1.712 -0.634 1.00 22.45 C ATOM 587 C GLN A 37 3.717 2.747 0.349 1.00 0.50 C ATOM 588 O GLN A 37 4.070 2.440 1.478 1.00 64.22 O ATOM 589 CB GLN A 37 2.280 0.762 -0.013 1.00 22.04 C ATOM 590 CG GLN A 37 1.633 -0.149 -1.048 1.00 22.12 C ATOM 591 CD GLN A 37 1.075 -1.396 -0.462 1.00 12.53 C ATOM 592 OE1 GLN A 37 0.084 -1.926 -0.928 1.00 4.32 O ATOM 593 NE2 GLN A 37 1.753 -1.914 0.511 1.00 3.40 N ATOM 0 H GLN A 37 5.002 0.611 -0.379 1.00 51.00 H new ATOM 0 HA GLN A 37 2.791 2.243 -1.459 1.00 22.45 H new ATOM 0 HB2 GLN A 37 2.786 0.155 0.738 1.00 22.04 H new ATOM 0 HB3 GLN A 37 1.506 1.330 0.504 1.00 22.04 H new ATOM 0 HG2 GLN A 37 0.836 0.395 -1.554 1.00 22.12 H new ATOM 0 HG3 GLN A 37 2.372 -0.410 -1.806 1.00 22.12 H new ATOM 0 HE21 GLN A 37 2.578 -1.434 0.870 1.00 3.40 H new ATOM 0 HE22 GLN A 37 1.462 -2.803 0.919 1.00 3.40 H new ATOM 602 N ILE A 38 3.725 3.959 -0.067 1.00 5.14 N ATOM 603 CA ILE A 38 4.193 5.001 0.784 1.00 72.12 C ATOM 604 C ILE A 38 3.004 5.623 1.459 1.00 2.32 C ATOM 605 O ILE A 38 2.024 5.936 0.820 1.00 43.12 O ATOM 606 CB ILE A 38 5.016 6.040 -0.014 1.00 75.20 C ATOM 607 CG1 ILE A 38 6.101 5.278 -0.780 1.00 72.44 C ATOM 608 CG2 ILE A 38 5.650 7.052 0.936 1.00 25.31 C ATOM 609 CD1 ILE A 38 7.081 6.119 -1.545 1.00 54.21 C ATOM 0 H ILE A 38 3.414 4.260 -0.991 1.00 5.14 H new ATOM 0 HA ILE A 38 4.864 4.597 1.542 1.00 72.12 H new ATOM 0 HB ILE A 38 4.375 6.588 -0.705 1.00 75.20 H new ATOM 0 HG12 ILE A 38 6.656 4.664 -0.070 1.00 72.44 H new ATOM 0 HG13 ILE A 38 5.614 4.597 -1.478 1.00 72.44 H new ATOM 0 HG21 ILE A 38 6.227 7.778 0.362 1.00 25.31 H new ATOM 0 HG22 ILE A 38 4.868 7.568 1.493 1.00 25.31 H new ATOM 0 HG23 ILE A 38 6.309 6.534 1.632 1.00 25.31 H new ATOM 0 HD11 ILE A 38 7.801 5.473 -2.047 1.00 54.21 H new ATOM 0 HD12 ILE A 38 6.549 6.714 -2.287 1.00 54.21 H new ATOM 0 HD13 ILE A 38 7.606 6.782 -0.857 1.00 54.21 H new ATOM 621 N VAL A 39 3.075 5.753 2.734 1.00 45.24 N ATOM 622 CA VAL A 39 1.952 6.227 3.502 1.00 1.40 C ATOM 623 C VAL A 39 2.124 7.681 3.821 1.00 74.43 C ATOM 624 O VAL A 39 3.167 8.096 4.340 1.00 20.31 O ATOM 625 CB VAL A 39 1.782 5.428 4.833 1.00 42.34 C ATOM 626 CG1 VAL A 39 0.590 5.930 5.652 1.00 43.34 C ATOM 627 CG2 VAL A 39 1.662 3.935 4.568 1.00 43.43 C ATOM 0 H VAL A 39 3.906 5.538 3.286 1.00 45.24 H new ATOM 0 HA VAL A 39 1.058 6.079 2.896 1.00 1.40 H new ATOM 0 HB VAL A 39 2.682 5.599 5.424 1.00 42.34 H new ATOM 0 HG11 VAL A 39 0.508 5.347 6.569 1.00 43.34 H new ATOM 0 HG12 VAL A 39 0.737 6.981 5.901 1.00 43.34 H new ATOM 0 HG13 VAL A 39 -0.324 5.820 5.069 1.00 43.34 H new ATOM 0 HG21 VAL A 39 1.545 3.406 5.514 1.00 43.43 H new ATOM 0 HG22 VAL A 39 0.794 3.746 3.937 1.00 43.43 H new ATOM 0 HG23 VAL A 39 2.561 3.582 4.064 1.00 43.43 H new ATOM 637 N ALA A 40 1.120 8.441 3.521 1.00 2.54 N ATOM 638 CA ALA A 40 1.127 9.828 3.796 1.00 32.31 C ATOM 639 C ALA A 40 -0.046 10.206 4.626 1.00 15.34 C ATOM 640 O ALA A 40 -1.142 9.698 4.443 1.00 63.23 O ATOM 641 CB ALA A 40 1.112 10.610 2.533 1.00 71.31 C ATOM 0 H ALA A 40 0.267 8.106 3.074 1.00 2.54 H new ATOM 0 HA ALA A 40 2.040 10.055 4.347 1.00 32.31 H new ATOM 0 HB1 ALA A 40 1.118 11.675 2.764 1.00 71.31 H new ATOM 0 HB2 ALA A 40 1.993 10.363 1.941 1.00 71.31 H new ATOM 0 HB3 ALA A 40 0.214 10.367 1.965 1.00 71.31 H new ATOM 647 N ARG A 41 0.172 11.068 5.540 1.00 20.11 N ATOM 648 CA ARG A 41 -0.898 11.569 6.325 1.00 63.12 C ATOM 649 C ARG A 41 -1.149 12.965 5.783 1.00 3.04 C ATOM 650 O ARG A 41 -0.218 13.749 5.685 1.00 42.23 O ATOM 651 CB ARG A 41 -0.497 11.591 7.794 1.00 15.14 C ATOM 652 CG ARG A 41 -1.619 11.293 8.778 1.00 33.42 C ATOM 653 CD ARG A 41 -2.810 12.180 8.604 1.00 42.50 C ATOM 654 NE ARG A 41 -3.826 11.903 9.609 1.00 33.51 N ATOM 655 CZ ARG A 41 -4.705 12.784 10.079 1.00 24.34 C ATOM 656 NH1 ARG A 41 -4.644 14.063 9.707 1.00 51.40 N ATOM 657 NH2 ARG A 41 -5.627 12.391 10.948 1.00 11.24 N ATOM 0 H ARG A 41 1.090 11.449 5.770 1.00 20.11 H new ATOM 0 HA ARG A 41 -1.798 10.956 6.268 1.00 63.12 H new ATOM 0 HB2 ARG A 41 0.301 10.864 7.947 1.00 15.14 H new ATOM 0 HB3 ARG A 41 -0.083 12.572 8.026 1.00 15.14 H new ATOM 0 HG2 ARG A 41 -1.928 10.254 8.662 1.00 33.42 H new ATOM 0 HG3 ARG A 41 -1.240 11.401 9.794 1.00 33.42 H new ATOM 0 HD2 ARG A 41 -2.502 13.223 8.673 1.00 42.50 H new ATOM 0 HD3 ARG A 41 -3.231 12.037 7.609 1.00 42.50 H new ATOM 0 HE ARG A 41 -3.867 10.955 9.984 1.00 33.51 H new ATOM 0 HH11 ARG A 41 -3.920 14.371 9.058 1.00 51.40 H new ATOM 0 HH12 ARG A 41 -5.321 14.733 10.071 1.00 51.40 H new ATOM 0 HH21 ARG A 41 -5.659 11.418 11.252 1.00 11.24 H new ATOM 0 HH22 ARG A 41 -6.304 13.062 11.312 1.00 11.24 H new ATOM 671 N LEU A 42 -2.360 13.265 5.410 1.00 25.01 N ATOM 672 CA LEU A 42 -2.634 14.506 4.702 1.00 30.24 C ATOM 673 C LEU A 42 -3.020 15.666 5.602 1.00 23.13 C ATOM 674 O LEU A 42 -3.827 15.515 6.509 1.00 32.13 O ATOM 675 CB LEU A 42 -3.682 14.263 3.626 1.00 42.33 C ATOM 676 CG LEU A 42 -3.292 13.218 2.579 1.00 2.12 C ATOM 677 CD1 LEU A 42 -4.353 13.083 1.526 1.00 13.42 C ATOM 678 CD2 LEU A 42 -1.957 13.552 1.947 1.00 55.01 C ATOM 0 H LEU A 42 -3.177 12.678 5.578 1.00 25.01 H new ATOM 0 HA LEU A 42 -1.697 14.815 4.239 1.00 30.24 H new ATOM 0 HB2 LEU A 42 -4.609 13.949 4.105 1.00 42.33 H new ATOM 0 HB3 LEU A 42 -3.888 15.206 3.119 1.00 42.33 H new ATOM 0 HG LEU A 42 -3.198 12.260 3.091 1.00 2.12 H new ATOM 0 HD11 LEU A 42 -4.048 12.333 0.796 1.00 13.42 H new ATOM 0 HD12 LEU A 42 -5.290 12.776 1.991 1.00 13.42 H new ATOM 0 HD13 LEU A 42 -4.493 14.041 1.025 1.00 13.42 H new ATOM 0 HD21 LEU A 42 -1.705 12.793 1.207 1.00 55.01 H new ATOM 0 HD22 LEU A 42 -2.018 14.526 1.461 1.00 55.01 H new ATOM 0 HD23 LEU A 42 -1.186 13.578 2.717 1.00 55.01 H new ATOM 690 N LYS A 43 -2.418 16.822 5.327 1.00 65.44 N ATOM 691 CA LYS A 43 -2.666 18.054 6.065 1.00 71.52 C ATOM 692 C LYS A 43 -3.988 18.711 5.635 1.00 73.53 C ATOM 693 O LYS A 43 -4.760 19.164 6.472 1.00 30.34 O ATOM 694 CB LYS A 43 -1.525 19.042 5.749 1.00 2.13 C ATOM 695 CG LYS A 43 -0.138 18.499 6.034 1.00 53.03 C ATOM 696 CD LYS A 43 0.976 19.473 5.656 1.00 70.54 C ATOM 697 CE LYS A 43 0.944 20.739 6.493 1.00 71.14 C ATOM 698 NZ LYS A 43 2.038 21.665 6.138 1.00 21.23 N ATOM 0 H LYS A 43 -1.736 16.928 4.576 1.00 65.44 H new ATOM 0 HA LYS A 43 -2.720 17.815 7.127 1.00 71.52 H new ATOM 0 HB2 LYS A 43 -1.584 19.324 4.698 1.00 2.13 H new ATOM 0 HB3 LYS A 43 -1.674 19.951 6.332 1.00 2.13 H new ATOM 0 HG2 LYS A 43 -0.059 18.260 7.094 1.00 53.03 H new ATOM 0 HG3 LYS A 43 0.001 17.567 5.486 1.00 53.03 H new ATOM 0 HD2 LYS A 43 1.942 18.983 5.780 1.00 70.54 H new ATOM 0 HD3 LYS A 43 0.884 19.735 4.602 1.00 70.54 H new ATOM 0 HE2 LYS A 43 -0.014 21.240 6.356 1.00 71.14 H new ATOM 0 HE3 LYS A 43 1.018 20.478 7.549 1.00 71.14 H new ATOM 0 HZ1 LYS A 43 1.979 22.516 6.733 1.00 21.23 H new ATOM 0 HZ2 LYS A 43 2.953 21.197 6.293 1.00 21.23 H new ATOM 0 HZ3 LYS A 43 1.953 21.936 5.137 1.00 21.23 H new ATOM 712 N ASN A 44 -4.250 18.733 4.338 1.00 54.44 N ATOM 713 CA ASN A 44 -5.451 19.391 3.808 1.00 31.10 C ATOM 714 C ASN A 44 -6.656 18.505 3.890 1.00 64.12 C ATOM 715 O ASN A 44 -7.765 18.966 4.147 1.00 71.15 O ATOM 716 CB ASN A 44 -5.266 19.906 2.362 1.00 34.23 C ATOM 717 CG ASN A 44 -4.221 21.010 2.221 1.00 54.42 C ATOM 718 OD1 ASN A 44 -3.237 21.070 2.955 1.00 73.04 O ATOM 719 ND2 ASN A 44 -4.436 21.898 1.293 1.00 4.33 N ATOM 0 H ASN A 44 -3.654 18.307 3.628 1.00 54.44 H new ATOM 0 HA ASN A 44 -5.615 20.259 4.446 1.00 31.10 H new ATOM 0 HB2 ASN A 44 -4.983 19.069 1.723 1.00 34.23 H new ATOM 0 HB3 ASN A 44 -6.223 20.278 1.995 1.00 34.23 H new ATOM 0 HD21 ASN A 44 -3.779 22.667 1.161 1.00 4.33 H new ATOM 0 HD22 ASN A 44 -5.261 21.824 0.698 1.00 4.33 H new ATOM 726 N ASN A 45 -6.443 17.232 3.686 1.00 14.32 N ATOM 727 CA ASN A 45 -7.544 16.268 3.686 1.00 43.35 C ATOM 728 C ASN A 45 -7.780 15.786 5.081 1.00 53.31 C ATOM 729 O ASN A 45 -8.851 15.262 5.400 1.00 52.33 O ATOM 730 CB ASN A 45 -7.218 15.044 2.828 1.00 33.35 C ATOM 731 CG ASN A 45 -6.902 15.332 1.375 1.00 53.41 C ATOM 732 OD1 ASN A 45 -6.350 16.373 1.028 1.00 73.05 O ATOM 733 ND2 ASN A 45 -7.228 14.403 0.532 1.00 2.15 N ATOM 0 H ASN A 45 -5.523 16.825 3.517 1.00 14.32 H new ATOM 0 HA ASN A 45 -8.422 16.772 3.281 1.00 43.35 H new ATOM 0 HB2 ASN A 45 -6.367 14.527 3.271 1.00 33.35 H new ATOM 0 HB3 ASN A 45 -8.064 14.358 2.869 1.00 33.35 H new ATOM 0 HD21 ASN A 45 -7.027 14.522 -0.461 1.00 2.15 H new ATOM 0 HD22 ASN A 45 -7.685 13.553 0.862 1.00 2.15 H new ATOM 740 N ASN A 46 -6.746 15.938 5.900 1.00 22.41 N ATOM 741 CA ASN A 46 -6.746 15.546 7.306 1.00 32.42 C ATOM 742 C ASN A 46 -6.950 14.028 7.440 1.00 13.44 C ATOM 743 O ASN A 46 -7.408 13.531 8.465 1.00 74.30 O ATOM 744 CB ASN A 46 -7.808 16.344 8.094 1.00 62.41 C ATOM 745 CG ASN A 46 -7.716 16.156 9.611 1.00 52.33 C ATOM 746 OD1 ASN A 46 -6.635 15.931 10.163 1.00 2.45 O ATOM 747 ND2 ASN A 46 -8.834 16.241 10.288 1.00 41.14 N ATOM 0 H ASN A 46 -5.862 16.347 5.598 1.00 22.41 H new ATOM 0 HA ASN A 46 -5.775 15.785 7.739 1.00 32.42 H new ATOM 0 HB2 ASN A 46 -7.701 17.403 7.861 1.00 62.41 H new ATOM 0 HB3 ASN A 46 -8.800 16.042 7.758 1.00 62.41 H new ATOM 0 HD21 ASN A 46 -8.827 16.120 11.301 1.00 41.14 H new ATOM 0 HD22 ASN A 46 -9.711 16.428 9.802 1.00 41.14 H new ATOM 754 N ARG A 47 -6.582 13.279 6.413 1.00 52.01 N ATOM 755 CA ARG A 47 -6.704 11.862 6.498 1.00 1.10 C ATOM 756 C ARG A 47 -5.417 11.186 6.127 1.00 14.25 C ATOM 757 O ARG A 47 -4.588 11.768 5.444 1.00 52.24 O ATOM 758 CB ARG A 47 -7.811 11.359 5.635 1.00 52.32 C ATOM 759 CG ARG A 47 -7.551 11.332 4.153 1.00 1.22 C ATOM 760 CD ARG A 47 -8.728 10.643 3.475 1.00 21.04 C ATOM 761 NE ARG A 47 -8.567 10.379 2.038 1.00 31.44 N ATOM 762 CZ ARG A 47 -9.298 9.462 1.371 1.00 62.01 C ATOM 763 NH1 ARG A 47 -10.169 8.693 2.027 1.00 44.40 N ATOM 764 NH2 ARG A 47 -9.137 9.304 0.071 1.00 5.10 N ATOM 0 H ARG A 47 -6.205 13.634 5.534 1.00 52.01 H new ATOM 0 HA ARG A 47 -6.939 11.620 7.534 1.00 1.10 H new ATOM 0 HB2 ARG A 47 -8.060 10.347 5.956 1.00 52.32 H new ATOM 0 HB3 ARG A 47 -8.691 11.976 5.815 1.00 52.32 H new ATOM 0 HG2 ARG A 47 -7.432 12.345 3.770 1.00 1.22 H new ATOM 0 HG3 ARG A 47 -6.624 10.799 3.939 1.00 1.22 H new ATOM 0 HD2 ARG A 47 -8.913 9.696 3.982 1.00 21.04 H new ATOM 0 HD3 ARG A 47 -9.617 11.258 3.616 1.00 21.04 H new ATOM 0 HE ARG A 47 -7.870 10.914 1.521 1.00 31.44 H new ATOM 0 HH11 ARG A 47 -10.283 8.798 3.035 1.00 44.40 H new ATOM 0 HH12 ARG A 47 -10.720 8.000 1.520 1.00 44.40 H new ATOM 0 HH21 ARG A 47 -8.459 9.876 -0.432 1.00 5.10 H new ATOM 0 HH22 ARG A 47 -9.691 8.610 -0.431 1.00 5.10 H new ATOM 778 N GLN A 48 -5.244 9.977 6.575 1.00 63.21 N ATOM 779 CA GLN A 48 -4.087 9.227 6.260 1.00 75.12 C ATOM 780 C GLN A 48 -4.382 8.366 5.037 1.00 21.24 C ATOM 781 O GLN A 48 -5.457 7.743 4.950 1.00 63.43 O ATOM 782 CB GLN A 48 -3.707 8.368 7.439 1.00 62.12 C ATOM 783 CG GLN A 48 -2.375 7.726 7.285 1.00 40.45 C ATOM 784 CD GLN A 48 -2.037 6.765 8.412 1.00 50.52 C ATOM 785 OE1 GLN A 48 -1.323 5.789 8.220 1.00 43.45 O ATOM 786 NE2 GLN A 48 -2.527 7.033 9.583 1.00 53.03 N ATOM 0 H GLN A 48 -5.912 9.490 7.172 1.00 63.21 H new ATOM 0 HA GLN A 48 -3.252 9.891 6.037 1.00 75.12 H new ATOM 0 HB2 GLN A 48 -3.707 8.979 8.342 1.00 62.12 H new ATOM 0 HB3 GLN A 48 -4.463 7.595 7.577 1.00 62.12 H new ATOM 0 HG2 GLN A 48 -2.346 7.188 6.337 1.00 40.45 H new ATOM 0 HG3 GLN A 48 -1.610 8.501 7.235 1.00 40.45 H new ATOM 0 HE21 GLN A 48 -3.119 7.854 9.713 1.00 53.03 H new ATOM 0 HE22 GLN A 48 -2.320 6.423 10.374 1.00 53.03 H new ATOM 795 N VAL A 49 -3.467 8.346 4.103 1.00 1.31 N ATOM 796 CA VAL A 49 -3.649 7.634 2.855 1.00 63.20 C ATOM 797 C VAL A 49 -2.391 6.914 2.434 1.00 61.21 C ATOM 798 O VAL A 49 -1.324 7.076 3.036 1.00 1.42 O ATOM 799 CB VAL A 49 -4.019 8.598 1.702 1.00 31.23 C ATOM 800 CG1 VAL A 49 -5.367 9.242 1.928 1.00 21.41 C ATOM 801 CG2 VAL A 49 -2.942 9.670 1.528 1.00 32.44 C ATOM 0 H VAL A 49 -2.569 8.824 4.182 1.00 1.31 H new ATOM 0 HA VAL A 49 -4.454 6.922 3.036 1.00 63.20 H new ATOM 0 HB VAL A 49 -4.079 8.008 0.788 1.00 31.23 H new ATOM 0 HG11 VAL A 49 -5.594 9.912 1.099 1.00 21.41 H new ATOM 0 HG12 VAL A 49 -6.133 8.469 1.990 1.00 21.41 H new ATOM 0 HG13 VAL A 49 -5.348 9.810 2.858 1.00 21.41 H new ATOM 0 HG21 VAL A 49 -3.221 10.337 0.713 1.00 32.44 H new ATOM 0 HG22 VAL A 49 -2.847 10.244 2.450 1.00 32.44 H new ATOM 0 HG23 VAL A 49 -1.989 9.194 1.297 1.00 32.44 H new ATOM 811 N CYS A 50 -2.523 6.143 1.400 1.00 61.25 N ATOM 812 CA CYS A 50 -1.418 5.496 0.783 1.00 24.54 C ATOM 813 C CYS A 50 -1.180 6.121 -0.582 1.00 23.35 C ATOM 814 O CYS A 50 -2.125 6.455 -1.315 1.00 51.31 O ATOM 815 CB CYS A 50 -1.628 3.991 0.699 1.00 24.12 C ATOM 816 SG CYS A 50 -1.714 3.166 2.334 1.00 4.40 S ATOM 0 H CYS A 50 -3.420 5.945 0.956 1.00 61.25 H new ATOM 0 HA CYS A 50 -0.526 5.640 1.393 1.00 24.54 H new ATOM 0 HB2 CYS A 50 -2.550 3.792 0.153 1.00 24.12 H new ATOM 0 HB3 CYS A 50 -0.814 3.551 0.122 1.00 24.12 H new ATOM 821 N ILE A 51 0.053 6.306 -0.883 1.00 41.32 N ATOM 822 CA ILE A 51 0.506 6.974 -2.066 1.00 4.21 C ATOM 823 C ILE A 51 0.944 5.995 -3.159 1.00 72.25 C ATOM 824 O ILE A 51 1.586 4.976 -2.866 1.00 23.45 O ATOM 825 CB ILE A 51 1.718 7.870 -1.687 1.00 72.43 C ATOM 826 CG1 ILE A 51 1.314 9.046 -0.808 1.00 32.21 C ATOM 827 CG2 ILE A 51 2.486 8.326 -2.870 1.00 63.21 C ATOM 828 CD1 ILE A 51 2.472 9.969 -0.482 1.00 24.11 C ATOM 0 H ILE A 51 0.817 5.984 -0.289 1.00 41.32 H new ATOM 0 HA ILE A 51 -0.324 7.560 -2.460 1.00 4.21 H new ATOM 0 HB ILE A 51 2.383 7.235 -1.101 1.00 72.43 H new ATOM 0 HG12 ILE A 51 0.533 9.616 -1.311 1.00 32.21 H new ATOM 0 HG13 ILE A 51 0.886 8.668 0.120 1.00 32.21 H new ATOM 0 HG21 ILE A 51 3.320 8.948 -2.545 1.00 63.21 H new ATOM 0 HG22 ILE A 51 2.868 7.461 -3.411 1.00 63.21 H new ATOM 0 HG23 ILE A 51 1.835 8.906 -3.525 1.00 63.21 H new ATOM 0 HD11 ILE A 51 2.120 10.787 0.147 1.00 24.11 H new ATOM 0 HD12 ILE A 51 3.244 9.411 0.047 1.00 24.11 H new ATOM 0 HD13 ILE A 51 2.886 10.374 -1.406 1.00 24.11 H new ATOM 840 N ASP A 52 0.563 6.301 -4.412 1.00 43.22 N ATOM 841 CA ASP A 52 1.094 5.590 -5.583 1.00 70.43 C ATOM 842 C ASP A 52 2.619 5.791 -5.624 1.00 45.01 C ATOM 843 O ASP A 52 3.082 6.930 -5.694 1.00 34.41 O ATOM 844 CB ASP A 52 0.582 6.180 -6.921 1.00 41.44 C ATOM 845 CG ASP A 52 -0.895 6.125 -7.196 1.00 32.41 C ATOM 846 OD1 ASP A 52 -1.680 5.974 -6.286 1.00 30.53 O ATOM 847 OD2 ASP A 52 -1.283 6.296 -8.378 1.00 62.31 O ATOM 0 H ASP A 52 -0.109 7.035 -4.637 1.00 43.22 H new ATOM 0 HA ASP A 52 0.781 4.550 -5.486 1.00 70.43 H new ATOM 0 HB2 ASP A 52 0.892 7.224 -6.966 1.00 41.44 H new ATOM 0 HB3 ASP A 52 1.093 5.661 -7.732 1.00 41.44 H new ATOM 852 N PRO A 53 3.424 4.725 -5.624 1.00 74.22 N ATOM 853 CA PRO A 53 4.908 4.832 -5.689 1.00 51.32 C ATOM 854 C PRO A 53 5.406 5.320 -7.060 1.00 63.30 C ATOM 855 O PRO A 53 6.599 5.402 -7.311 1.00 54.33 O ATOM 856 CB PRO A 53 5.351 3.389 -5.477 1.00 35.32 C ATOM 857 CG PRO A 53 4.208 2.601 -6.002 1.00 13.45 C ATOM 858 CD PRO A 53 2.998 3.329 -5.524 1.00 34.12 C ATOM 0 HA PRO A 53 5.298 5.548 -4.966 1.00 51.32 H new ATOM 0 HB2 PRO A 53 6.273 3.168 -6.015 1.00 35.32 H new ATOM 0 HB3 PRO A 53 5.537 3.176 -4.424 1.00 35.32 H new ATOM 0 HG2 PRO A 53 4.232 2.544 -7.090 1.00 13.45 H new ATOM 0 HG3 PRO A 53 4.228 1.577 -5.629 1.00 13.45 H new ATOM 0 HD2 PRO A 53 2.126 3.123 -6.145 1.00 34.12 H new ATOM 0 HD3 PRO A 53 2.734 3.055 -4.503 1.00 34.12 H new ATOM 866 N LYS A 54 4.483 5.621 -7.933 1.00 53.00 N ATOM 867 CA LYS A 54 4.806 6.073 -9.259 1.00 62.32 C ATOM 868 C LYS A 54 4.619 7.581 -9.420 1.00 52.42 C ATOM 869 O LYS A 54 4.710 8.112 -10.522 1.00 64.02 O ATOM 870 CB LYS A 54 4.010 5.285 -10.267 1.00 50.32 C ATOM 871 CG LYS A 54 2.529 5.352 -10.075 1.00 2.53 C ATOM 872 CD LYS A 54 1.875 4.248 -10.838 1.00 54.42 C ATOM 873 CE LYS A 54 2.095 4.350 -12.340 1.00 51.13 C ATOM 874 NZ LYS A 54 1.480 3.215 -13.045 1.00 4.32 N ATOM 0 H LYS A 54 3.483 5.559 -7.744 1.00 53.00 H new ATOM 0 HA LYS A 54 5.866 5.892 -9.438 1.00 62.32 H new ATOM 0 HB2 LYS A 54 4.251 5.648 -11.266 1.00 50.32 H new ATOM 0 HB3 LYS A 54 4.323 4.242 -10.223 1.00 50.32 H new ATOM 0 HG2 LYS A 54 2.285 5.270 -9.016 1.00 2.53 H new ATOM 0 HG3 LYS A 54 2.151 6.316 -10.415 1.00 2.53 H new ATOM 0 HD2 LYS A 54 2.260 3.292 -10.484 1.00 54.42 H new ATOM 0 HD3 LYS A 54 0.805 4.256 -10.632 1.00 54.42 H new ATOM 0 HE2 LYS A 54 1.672 5.284 -12.710 1.00 51.13 H new ATOM 0 HE3 LYS A 54 3.164 4.378 -12.553 1.00 51.13 H new ATOM 0 HZ1 LYS A 54 1.646 3.310 -14.067 1.00 4.32 H new ATOM 0 HZ2 LYS A 54 1.902 2.327 -12.707 1.00 4.32 H new ATOM 0 HZ3 LYS A 54 0.457 3.204 -12.860 1.00 4.32 H new ATOM 888 N LEU A 55 4.367 8.263 -8.304 1.00 31.34 N ATOM 889 CA LEU A 55 4.250 9.714 -8.299 1.00 50.34 C ATOM 890 C LEU A 55 5.565 10.376 -8.637 1.00 10.23 C ATOM 891 O LEU A 55 6.622 9.970 -8.157 1.00 24.11 O ATOM 892 CB LEU A 55 3.723 10.229 -6.961 1.00 1.44 C ATOM 893 CG LEU A 55 2.249 9.963 -6.647 1.00 31.42 C ATOM 894 CD1 LEU A 55 1.865 10.612 -5.342 1.00 43.21 C ATOM 895 CD2 LEU A 55 1.361 10.480 -7.758 1.00 32.13 C ATOM 0 H LEU A 55 4.240 7.829 -7.390 1.00 31.34 H new ATOM 0 HA LEU A 55 3.528 9.978 -9.072 1.00 50.34 H new ATOM 0 HB2 LEU A 55 4.324 9.786 -6.167 1.00 1.44 H new ATOM 0 HB3 LEU A 55 3.889 11.306 -6.923 1.00 1.44 H new ATOM 0 HG LEU A 55 2.110 8.885 -6.563 1.00 31.42 H new ATOM 0 HD11 LEU A 55 0.814 10.414 -5.133 1.00 43.21 H new ATOM 0 HD12 LEU A 55 2.478 10.204 -4.538 1.00 43.21 H new ATOM 0 HD13 LEU A 55 2.025 11.688 -5.410 1.00 43.21 H new ATOM 0 HD21 LEU A 55 0.318 10.280 -7.513 1.00 32.13 H new ATOM 0 HD22 LEU A 55 1.508 11.554 -7.871 1.00 32.13 H new ATOM 0 HD23 LEU A 55 1.617 9.979 -8.691 1.00 32.13 H new ATOM 907 N LYS A 56 5.483 11.406 -9.453 1.00 44.20 N ATOM 908 CA LYS A 56 6.640 12.144 -9.939 1.00 60.22 C ATOM 909 C LYS A 56 7.492 12.678 -8.775 1.00 11.33 C ATOM 910 O LYS A 56 8.714 12.528 -8.763 1.00 41.31 O ATOM 911 CB LYS A 56 6.157 13.303 -10.815 1.00 70.22 C ATOM 912 CG LYS A 56 7.254 14.135 -11.448 1.00 54.25 C ATOM 913 CD LYS A 56 6.665 15.323 -12.187 1.00 51.25 C ATOM 914 CE LYS A 56 7.736 16.181 -12.836 1.00 70.21 C ATOM 915 NZ LYS A 56 7.156 17.380 -13.473 1.00 42.03 N ATOM 0 H LYS A 56 4.596 11.764 -9.806 1.00 44.20 H new ATOM 0 HA LYS A 56 7.267 11.471 -10.523 1.00 60.22 H new ATOM 0 HB2 LYS A 56 5.526 12.900 -11.607 1.00 70.22 H new ATOM 0 HB3 LYS A 56 5.530 13.958 -10.210 1.00 70.22 H new ATOM 0 HG2 LYS A 56 7.943 14.484 -10.679 1.00 54.25 H new ATOM 0 HG3 LYS A 56 7.832 13.520 -12.138 1.00 54.25 H new ATOM 0 HD2 LYS A 56 5.974 14.967 -12.951 1.00 51.25 H new ATOM 0 HD3 LYS A 56 6.086 15.931 -11.492 1.00 51.25 H new ATOM 0 HE2 LYS A 56 8.466 16.484 -12.085 1.00 70.21 H new ATOM 0 HE3 LYS A 56 8.271 15.594 -13.582 1.00 70.21 H new ATOM 0 HZ1 LYS A 56 7.915 17.944 -13.907 1.00 42.03 H new ATOM 0 HZ2 LYS A 56 6.478 17.090 -14.206 1.00 42.03 H new ATOM 0 HZ3 LYS A 56 6.666 17.952 -12.755 1.00 42.03 H new ATOM 929 N TRP A 57 6.837 13.259 -7.789 1.00 51.12 N ATOM 930 CA TRP A 57 7.544 13.842 -6.657 1.00 65.45 C ATOM 931 C TRP A 57 8.017 12.759 -5.684 1.00 42.44 C ATOM 932 O TRP A 57 8.889 12.989 -4.856 1.00 5.44 O ATOM 933 CB TRP A 57 6.668 14.870 -5.932 1.00 65.42 C ATOM 934 CG TRP A 57 5.465 14.298 -5.230 1.00 21.44 C ATOM 935 CD1 TRP A 57 4.226 14.038 -5.750 1.00 34.11 C ATOM 936 CD2 TRP A 57 5.405 13.923 -3.854 1.00 2.43 C ATOM 937 NE1 TRP A 57 3.409 13.543 -4.761 1.00 13.55 N ATOM 938 CE2 TRP A 57 4.110 13.458 -3.600 1.00 63.03 C ATOM 939 CE3 TRP A 57 6.329 13.939 -2.817 1.00 15.14 C ATOM 940 CZ2 TRP A 57 3.712 13.014 -2.350 1.00 71.20 C ATOM 941 CZ3 TRP A 57 5.945 13.501 -1.578 1.00 44.44 C ATOM 942 CH2 TRP A 57 4.645 13.042 -1.346 1.00 33.21 C ATOM 0 H TRP A 57 5.821 13.342 -7.745 1.00 51.12 H new ATOM 0 HA TRP A 57 8.423 14.356 -7.046 1.00 65.45 H new ATOM 0 HB2 TRP A 57 7.281 15.396 -5.200 1.00 65.42 H new ATOM 0 HB3 TRP A 57 6.329 15.611 -6.656 1.00 65.42 H new ATOM 0 HD1 TRP A 57 3.935 14.197 -6.778 1.00 34.11 H new ATOM 0 HE1 TRP A 57 2.430 13.281 -4.880 1.00 13.55 H new ATOM 0 HE3 TRP A 57 7.336 14.292 -2.986 1.00 15.14 H new ATOM 0 HZ2 TRP A 57 2.707 12.660 -2.173 1.00 71.20 H new ATOM 0 HZ3 TRP A 57 6.658 13.510 -0.767 1.00 44.44 H new ATOM 0 HH2 TRP A 57 4.371 12.703 -0.358 1.00 33.21 H new ATOM 953 N ILE A 58 7.439 11.584 -5.798 1.00 61.45 N ATOM 954 CA ILE A 58 7.794 10.473 -4.961 1.00 30.22 C ATOM 955 C ILE A 58 9.153 9.934 -5.356 1.00 50.11 C ATOM 956 O ILE A 58 9.953 9.565 -4.505 1.00 72.31 O ATOM 957 CB ILE A 58 6.684 9.384 -4.977 1.00 20.10 C ATOM 958 CG1 ILE A 58 5.512 9.794 -4.081 1.00 71.25 C ATOM 959 CG2 ILE A 58 7.183 8.003 -4.634 1.00 25.53 C ATOM 960 CD1 ILE A 58 5.877 9.938 -2.608 1.00 22.54 C ATOM 0 H ILE A 58 6.707 11.377 -6.478 1.00 61.45 H new ATOM 0 HA ILE A 58 7.871 10.814 -3.929 1.00 30.22 H new ATOM 0 HB ILE A 58 6.334 9.319 -6.007 1.00 20.10 H new ATOM 0 HG12 ILE A 58 5.109 10.741 -4.439 1.00 71.25 H new ATOM 0 HG13 ILE A 58 4.718 9.053 -4.177 1.00 71.25 H new ATOM 0 HG21 ILE A 58 6.352 7.298 -4.666 1.00 25.53 H new ATOM 0 HG22 ILE A 58 7.943 7.701 -5.355 1.00 25.53 H new ATOM 0 HG23 ILE A 58 7.615 8.010 -3.633 1.00 25.53 H new ATOM 0 HD11 ILE A 58 4.993 10.230 -2.041 1.00 22.54 H new ATOM 0 HD12 ILE A 58 6.251 8.986 -2.231 1.00 22.54 H new ATOM 0 HD13 ILE A 58 6.648 10.701 -2.497 1.00 22.54 H new ATOM 972 N GLN A 59 9.423 9.930 -6.644 1.00 54.54 N ATOM 973 CA GLN A 59 10.730 9.565 -7.146 1.00 53.53 C ATOM 974 C GLN A 59 11.796 10.499 -6.594 1.00 12.04 C ATOM 975 O GLN A 59 12.897 10.060 -6.256 1.00 42.10 O ATOM 976 CB GLN A 59 10.750 9.531 -8.667 1.00 3.50 C ATOM 977 CG GLN A 59 10.391 8.175 -9.324 1.00 35.54 C ATOM 978 CD GLN A 59 9.027 7.564 -8.970 1.00 33.43 C ATOM 979 OE1 GLN A 59 8.500 7.727 -7.892 1.00 22.11 O ATOM 980 NE2 GLN A 59 8.465 6.851 -9.896 1.00 51.44 N ATOM 0 H GLN A 59 8.748 10.178 -7.368 1.00 54.54 H new ATOM 0 HA GLN A 59 10.956 8.557 -6.800 1.00 53.53 H new ATOM 0 HB2 GLN A 59 10.055 10.285 -9.036 1.00 3.50 H new ATOM 0 HB3 GLN A 59 11.745 9.822 -9.003 1.00 3.50 H new ATOM 0 HG2 GLN A 59 10.434 8.302 -10.406 1.00 35.54 H new ATOM 0 HG3 GLN A 59 11.164 7.455 -9.056 1.00 35.54 H new ATOM 0 HE21 GLN A 59 8.928 6.728 -10.796 1.00 51.44 H new ATOM 0 HE22 GLN A 59 7.560 6.413 -9.724 1.00 51.44 H new ATOM 989 N GLU A 60 11.442 11.779 -6.472 1.00 14.43 N ATOM 990 CA GLU A 60 12.307 12.777 -5.852 1.00 64.24 C ATOM 991 C GLU A 60 12.512 12.420 -4.394 1.00 20.01 C ATOM 992 O GLU A 60 13.630 12.372 -3.910 1.00 2.42 O ATOM 993 CB GLU A 60 11.664 14.163 -5.936 1.00 21.42 C ATOM 994 CG GLU A 60 11.482 14.689 -7.334 1.00 10.23 C ATOM 995 CD GLU A 60 12.795 14.889 -8.022 1.00 64.34 C ATOM 996 OE1 GLU A 60 13.478 15.893 -7.731 1.00 14.22 O ATOM 997 OE2 GLU A 60 13.172 14.058 -8.854 1.00 30.51 O ATOM 0 H GLU A 60 10.550 12.150 -6.800 1.00 14.43 H new ATOM 0 HA GLU A 60 13.262 12.792 -6.377 1.00 64.24 H new ATOM 0 HB2 GLU A 60 10.691 14.127 -5.447 1.00 21.42 H new ATOM 0 HB3 GLU A 60 12.277 14.868 -5.374 1.00 21.42 H new ATOM 0 HG2 GLU A 60 10.872 13.993 -7.909 1.00 10.23 H new ATOM 0 HG3 GLU A 60 10.941 15.634 -7.300 1.00 10.23 H new ATOM 1004 N TYR A 61 11.404 12.132 -3.730 1.00 12.21 N ATOM 1005 CA TYR A 61 11.360 11.758 -2.320 1.00 54.52 C ATOM 1006 C TYR A 61 12.265 10.567 -2.017 1.00 42.32 C ATOM 1007 O TYR A 61 12.991 10.558 -1.013 1.00 23.14 O ATOM 1008 CB TYR A 61 9.897 11.467 -1.906 1.00 10.44 C ATOM 1009 CG TYR A 61 9.729 10.813 -0.550 1.00 15.32 C ATOM 1010 CD1 TYR A 61 10.083 11.469 0.614 1.00 3.02 C ATOM 1011 CD2 TYR A 61 9.207 9.527 -0.447 1.00 44.22 C ATOM 1012 CE1 TYR A 61 9.928 10.867 1.845 1.00 2.01 C ATOM 1013 CE2 TYR A 61 9.047 8.916 0.775 1.00 12.12 C ATOM 1014 CZ TYR A 61 9.415 9.598 1.924 1.00 24.54 C ATOM 1015 OH TYR A 61 9.264 9.008 3.161 1.00 45.12 O ATOM 0 H TYR A 61 10.483 12.152 -4.167 1.00 12.21 H new ATOM 0 HA TYR A 61 11.738 12.595 -1.732 1.00 54.52 H new ATOM 0 HB2 TYR A 61 9.341 12.405 -1.911 1.00 10.44 H new ATOM 0 HB3 TYR A 61 9.444 10.824 -2.660 1.00 10.44 H new ATOM 0 HD1 TYR A 61 10.487 12.469 0.559 1.00 3.02 H new ATOM 0 HD2 TYR A 61 8.922 8.998 -1.344 1.00 44.22 H new ATOM 0 HE1 TYR A 61 10.210 11.394 2.745 1.00 2.01 H new ATOM 0 HE2 TYR A 61 8.640 7.918 0.838 1.00 12.12 H new ATOM 0 HH TYR A 61 8.678 8.226 3.081 1.00 45.12 H new ATOM 1025 N LEU A 62 12.239 9.583 -2.887 1.00 52.53 N ATOM 1026 CA LEU A 62 13.058 8.395 -2.723 1.00 63.43 C ATOM 1027 C LEU A 62 14.522 8.760 -2.792 1.00 21.54 C ATOM 1028 O LEU A 62 15.343 8.263 -2.021 1.00 54.33 O ATOM 1029 CB LEU A 62 12.716 7.371 -3.791 1.00 32.24 C ATOM 1030 CG LEU A 62 11.264 6.911 -3.810 1.00 42.21 C ATOM 1031 CD1 LEU A 62 11.033 5.931 -4.921 1.00 1.12 C ATOM 1032 CD2 LEU A 62 10.870 6.315 -2.473 1.00 12.45 C ATOM 0 H LEU A 62 11.655 9.579 -3.724 1.00 52.53 H new ATOM 0 HA LEU A 62 12.854 7.958 -1.746 1.00 63.43 H new ATOM 0 HB2 LEU A 62 12.959 7.792 -4.766 1.00 32.24 H new ATOM 0 HB3 LEU A 62 13.355 6.499 -3.652 1.00 32.24 H new ATOM 0 HG LEU A 62 10.633 7.782 -3.989 1.00 42.21 H new ATOM 0 HD11 LEU A 62 9.990 5.615 -4.917 1.00 1.12 H new ATOM 0 HD12 LEU A 62 11.265 6.402 -5.876 1.00 1.12 H new ATOM 0 HD13 LEU A 62 11.676 5.062 -4.779 1.00 1.12 H new ATOM 0 HD21 LEU A 62 9.829 5.994 -2.510 1.00 12.45 H new ATOM 0 HD22 LEU A 62 11.507 5.458 -2.255 1.00 12.45 H new ATOM 0 HD23 LEU A 62 10.990 7.065 -1.691 1.00 12.45 H new ATOM 1044 N GLU A 63 14.832 9.669 -3.676 1.00 23.44 N ATOM 1045 CA GLU A 63 16.197 10.129 -3.852 1.00 70.05 C ATOM 1046 C GLU A 63 16.602 11.142 -2.773 1.00 34.41 C ATOM 1047 O GLU A 63 17.737 11.618 -2.733 1.00 32.21 O ATOM 1048 CB GLU A 63 16.410 10.670 -5.253 1.00 11.30 C ATOM 1049 CG GLU A 63 16.086 9.636 -6.304 1.00 61.13 C ATOM 1050 CD GLU A 63 16.373 10.087 -7.703 1.00 5.03 C ATOM 1051 OE1 GLU A 63 17.502 9.896 -8.180 1.00 3.25 O ATOM 1052 OE2 GLU A 63 15.472 10.613 -8.364 1.00 74.11 O ATOM 0 H GLU A 63 14.155 10.114 -4.295 1.00 23.44 H new ATOM 0 HA GLU A 63 16.856 9.269 -3.730 1.00 70.05 H new ATOM 0 HB2 GLU A 63 15.784 11.550 -5.403 1.00 11.30 H new ATOM 0 HB3 GLU A 63 17.445 10.992 -5.366 1.00 11.30 H new ATOM 0 HG2 GLU A 63 16.658 8.731 -6.099 1.00 61.13 H new ATOM 0 HG3 GLU A 63 15.032 9.371 -6.227 1.00 61.13 H new ATOM 1059 N LYS A 64 15.680 11.455 -1.907 1.00 73.42 N ATOM 1060 CA LYS A 64 15.967 12.305 -0.786 1.00 62.12 C ATOM 1061 C LYS A 64 16.196 11.452 0.449 1.00 21.32 C ATOM 1062 O LYS A 64 17.206 11.587 1.127 1.00 31.50 O ATOM 1063 CB LYS A 64 14.823 13.290 -0.524 1.00 51.01 C ATOM 1064 CG LYS A 64 14.537 14.268 -1.657 1.00 33.30 C ATOM 1065 CD LYS A 64 15.686 15.246 -1.918 1.00 34.23 C ATOM 1066 CE LYS A 64 15.951 16.136 -0.709 1.00 12.00 C ATOM 1067 NZ LYS A 64 16.937 17.200 -1.004 1.00 32.42 N ATOM 0 H LYS A 64 14.714 11.131 -1.957 1.00 73.42 H new ATOM 0 HA LYS A 64 16.864 12.881 -1.015 1.00 62.12 H new ATOM 0 HB2 LYS A 64 13.916 12.722 -0.318 1.00 51.01 H new ATOM 0 HB3 LYS A 64 15.054 13.859 0.376 1.00 51.01 H new ATOM 0 HG2 LYS A 64 14.333 13.707 -2.569 1.00 33.30 H new ATOM 0 HG3 LYS A 64 13.635 14.833 -1.421 1.00 33.30 H new ATOM 0 HD2 LYS A 64 16.590 14.689 -2.165 1.00 34.23 H new ATOM 0 HD3 LYS A 64 15.447 15.866 -2.782 1.00 34.23 H new ATOM 0 HE2 LYS A 64 15.016 16.590 -0.382 1.00 12.00 H new ATOM 0 HE3 LYS A 64 16.314 15.525 0.117 1.00 12.00 H new ATOM 0 HZ1 LYS A 64 17.086 17.780 -0.154 1.00 32.42 H new ATOM 0 HZ2 LYS A 64 17.839 16.768 -1.291 1.00 32.42 H new ATOM 0 HZ3 LYS A 64 16.580 17.800 -1.775 1.00 32.42 H new ATOM 1081 N ALA A 65 15.262 10.559 0.714 1.00 70.40 N ATOM 1082 CA ALA A 65 15.301 9.728 1.905 1.00 64.44 C ATOM 1083 C ALA A 65 16.248 8.529 1.767 1.00 34.22 C ATOM 1084 O ALA A 65 17.061 8.280 2.646 1.00 11.42 O ATOM 1085 CB ALA A 65 13.896 9.268 2.273 1.00 52.42 C ATOM 0 H ALA A 65 14.456 10.388 0.112 1.00 70.40 H new ATOM 0 HA ALA A 65 15.701 10.344 2.710 1.00 64.44 H new ATOM 0 HB1 ALA A 65 13.939 8.646 3.167 1.00 52.42 H new ATOM 0 HB2 ALA A 65 13.267 10.137 2.466 1.00 52.42 H new ATOM 0 HB3 ALA A 65 13.475 8.691 1.450 1.00 52.42 H new ATOM 1091 N LEU A 66 16.146 7.798 0.675 1.00 52.23 N ATOM 1092 CA LEU A 66 16.956 6.604 0.496 1.00 4.51 C ATOM 1093 C LEU A 66 18.310 6.901 -0.130 1.00 24.05 C ATOM 1094 O LEU A 66 19.307 6.244 0.176 1.00 32.32 O ATOM 1095 CB LEU A 66 16.226 5.548 -0.331 1.00 31.23 C ATOM 1096 CG LEU A 66 14.949 4.946 0.277 1.00 44.44 C ATOM 1097 CD1 LEU A 66 15.176 4.412 1.686 1.00 64.30 C ATOM 1098 CD2 LEU A 66 13.753 5.882 0.203 1.00 0.41 C ATOM 0 H LEU A 66 15.515 8.006 -0.099 1.00 52.23 H new ATOM 0 HA LEU A 66 17.131 6.212 1.498 1.00 4.51 H new ATOM 0 HB2 LEU A 66 15.967 5.990 -1.293 1.00 31.23 H new ATOM 0 HB3 LEU A 66 16.922 4.734 -0.531 1.00 31.23 H new ATOM 0 HG LEU A 66 14.697 4.090 -0.349 1.00 44.44 H new ATOM 0 HD11 LEU A 66 14.245 3.997 2.072 1.00 64.30 H new ATOM 0 HD12 LEU A 66 15.938 3.633 1.661 1.00 64.30 H new ATOM 0 HD13 LEU A 66 15.508 5.224 2.334 1.00 64.30 H new ATOM 0 HD21 LEU A 66 12.884 5.398 0.649 1.00 0.41 H new ATOM 0 HD22 LEU A 66 13.975 6.800 0.747 1.00 0.41 H new ATOM 0 HD23 LEU A 66 13.541 6.120 -0.839 1.00 0.41 H new ATOM 1110 N ASN A 67 18.353 7.891 -0.995 1.00 21.33 N ATOM 1111 CA ASN A 67 19.598 8.233 -1.694 1.00 54.13 C ATOM 1112 C ASN A 67 20.580 8.973 -0.799 1.00 44.21 C ATOM 1113 O ASN A 67 21.776 8.681 -0.802 1.00 52.24 O ATOM 1114 CB ASN A 67 19.316 9.023 -2.979 1.00 44.03 C ATOM 1115 CG ASN A 67 20.571 9.434 -3.741 1.00 43.22 C ATOM 1116 OD1 ASN A 67 21.085 8.681 -4.563 1.00 71.44 O ATOM 1117 ND2 ASN A 67 21.033 10.635 -3.507 1.00 34.35 N ATOM 0 H ASN A 67 17.554 8.476 -1.238 1.00 21.33 H new ATOM 0 HA ASN A 67 20.071 7.291 -1.972 1.00 54.13 H new ATOM 0 HB2 ASN A 67 18.687 8.420 -3.634 1.00 44.03 H new ATOM 0 HB3 ASN A 67 18.747 9.918 -2.726 1.00 44.03 H new ATOM 0 HD21 ASN A 67 21.849 10.976 -4.016 1.00 34.35 H new ATOM 0 HD22 ASN A 67 20.578 11.231 -2.816 1.00 34.35 H new ATOM 1124 N LYS A 68 20.084 9.909 -0.033 1.00 44.02 N ATOM 1125 CA LYS A 68 20.931 10.684 0.838 1.00 13.51 C ATOM 1126 C LYS A 68 20.788 10.204 2.270 1.00 23.22 C ATOM 1127 O LYS A 68 19.897 10.680 2.976 1.00 36.72 O ATOM 1128 CB LYS A 68 20.618 12.181 0.724 1.00 30.11 C ATOM 1129 CG LYS A 68 20.872 12.761 -0.627 1.00 75.21 C ATOM 1130 CD LYS A 68 20.555 14.229 -0.617 1.00 34.43 C ATOM 1131 CE LYS A 68 20.808 14.842 -1.956 1.00 25.21 C ATOM 1132 NZ LYS A 68 22.241 14.786 -2.356 1.00 64.33 N ATOM 1133 OXT LYS A 68 21.576 9.326 2.695 1.00 36.72 O ATOM 0 H LYS A 68 19.095 10.154 0.006 1.00 44.02 H new ATOM 0 HA LYS A 68 21.966 10.542 0.528 1.00 13.51 H new ATOM 0 HB2 LYS A 68 19.572 12.342 0.985 1.00 30.11 H new ATOM 0 HB3 LYS A 68 21.216 12.722 1.457 1.00 30.11 H new ATOM 0 HG2 LYS A 68 21.913 12.606 -0.910 1.00 75.21 H new ATOM 0 HG3 LYS A 68 20.260 12.252 -1.372 1.00 75.21 H new ATOM 0 HD2 LYS A 68 19.512 14.377 -0.337 1.00 34.43 H new ATOM 0 HD3 LYS A 68 21.162 14.730 0.137 1.00 34.43 H new ATOM 0 HE2 LYS A 68 20.206 14.328 -2.705 1.00 25.21 H new ATOM 0 HE3 LYS A 68 20.480 15.881 -1.942 1.00 25.21 H new ATOM 0 HZ1 LYS A 68 22.398 15.409 -3.174 1.00 64.33 H new ATOM 0 HZ2 LYS A 68 22.835 15.100 -1.563 1.00 64.33 H new ATOM 0 HZ3 LYS A 68 22.492 13.810 -2.611 1.00 64.33 H new TER 1147 LYS A 68