USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 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 24 LYS NZ :NH3+ 168:sc= 0.899 (180deg=-0.435) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.913 K(o=1.8,f=-4.7!) USER MOD Single : A 1 LYS N :NH3+ -136:sc= 0.0177 (180deg=-0.107) 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 100:sc= 0.0561 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 13:sc= 0.885 USER MOD Single : A 17 HIS : no HD1:sc= -0.0425 X(o=-0.042,f=-0.013) USER MOD Single : A 22 ASN : amide:sc= 0.177 K(o=0.18,f=-4.3!) USER MOD Single : A 25 HIS : no HE2:sc= -0.424 K(o=-0.42,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -0.0162 (180deg=-0.216) USER MOD Single : A 30 ASN : amide:sc=-0.000212 X(o=-0.00021,f=-0.00021) USER MOD Single : A 31 THR OG1 : rot 160:sc= -0.0169 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 37 GLN : amide:sc= -2.78 K(o=-2.8,f=-5.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.00149 K(o=-0.0015,f=-1.3) USER MOD Single : A 45 ASN : amide:sc= -3.81! C(o=-3.8!,f=-16!) USER MOD Single : A 48 GLN : amide:sc= -0.0142 K(o=-0.014,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= 1.16 (180deg=0.79) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.43) USER MOD Single : A 61 TYR OH : rot 150:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= 1.23 (180deg=1.1) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -113:sc= 1.16 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -24.954 -10.717 4.260 1.00 23.23 N ATOM 2 CA LYS A 1 -24.635 -11.098 2.882 1.00 44.04 C ATOM 3 C LYS A 1 -23.274 -11.760 2.864 1.00 24.33 C ATOM 4 O LYS A 1 -22.453 -11.495 3.749 1.00 14.45 O ATOM 5 CB LYS A 1 -24.564 -9.856 1.981 1.00 42.32 C ATOM 6 CG LYS A 1 -25.821 -9.020 1.925 1.00 72.25 C ATOM 7 CD LYS A 1 -25.591 -7.779 1.083 1.00 73.53 C ATOM 8 CE LYS A 1 -26.805 -6.881 1.075 1.00 64.11 C ATOM 9 NZ LYS A 1 -26.576 -5.646 0.301 1.00 60.32 N ATOM 0 H1 LYS A 1 -25.941 -10.970 4.470 1.00 23.23 H new ATOM 0 H2 LYS A 1 -24.321 -11.219 4.914 1.00 23.23 H new ATOM 0 H3 LYS A 1 -24.827 -9.691 4.375 1.00 23.23 H new ATOM 0 HA LYS A 1 -25.411 -11.771 2.517 1.00 44.04 H new ATOM 0 HB2 LYS A 1 -23.744 -9.225 2.325 1.00 42.32 H new ATOM 0 HB3 LYS A 1 -24.316 -10.176 0.969 1.00 42.32 H new ATOM 0 HG2 LYS A 1 -26.638 -9.607 1.505 1.00 72.25 H new ATOM 0 HG3 LYS A 1 -26.121 -8.733 2.933 1.00 72.25 H new ATOM 0 HD2 LYS A 1 -24.733 -7.229 1.471 1.00 73.53 H new ATOM 0 HD3 LYS A 1 -25.347 -8.071 0.062 1.00 73.53 H new ATOM 0 HE2 LYS A 1 -27.652 -7.421 0.653 1.00 64.11 H new ATOM 0 HE3 LYS A 1 -27.071 -6.622 2.100 1.00 64.11 H new ATOM 0 HZ1 LYS A 1 -27.434 -5.059 0.322 1.00 60.32 H new ATOM 0 HZ2 LYS A 1 -25.784 -5.116 0.718 1.00 60.32 H new ATOM 0 HZ3 LYS A 1 -26.348 -5.891 -0.684 1.00 60.32 H new ATOM 23 N PRO A 2 -23.006 -12.651 1.895 1.00 72.42 N ATOM 24 CA PRO A 2 -21.684 -13.237 1.729 1.00 14.33 C ATOM 25 C PRO A 2 -20.683 -12.152 1.316 1.00 42.22 C ATOM 26 O PRO A 2 -20.794 -11.564 0.231 1.00 33.23 O ATOM 27 CB PRO A 2 -21.864 -14.259 0.592 1.00 64.11 C ATOM 28 CG PRO A 2 -23.334 -14.472 0.497 1.00 2.10 C ATOM 29 CD PRO A 2 -23.961 -13.176 0.905 1.00 42.42 C ATOM 0 HA PRO A 2 -21.304 -13.693 2.643 1.00 14.33 H new ATOM 0 HB2 PRO A 2 -21.458 -13.881 -0.346 1.00 64.11 H new ATOM 0 HB3 PRO A 2 -21.343 -15.191 0.812 1.00 64.11 H new ATOM 0 HG2 PRO A 2 -23.625 -14.745 -0.517 1.00 2.10 H new ATOM 0 HG3 PRO A 2 -23.654 -15.284 1.150 1.00 2.10 H new ATOM 0 HD2 PRO A 2 -24.079 -12.500 0.059 1.00 42.42 H new ATOM 0 HD3 PRO A 2 -24.951 -13.323 1.336 1.00 42.42 H new ATOM 37 N VAL A 3 -19.747 -11.865 2.182 1.00 75.21 N ATOM 38 CA VAL A 3 -18.779 -10.814 1.938 1.00 54.03 C ATOM 39 C VAL A 3 -17.522 -11.360 1.304 1.00 32.35 C ATOM 40 O VAL A 3 -17.248 -12.570 1.372 1.00 41.54 O ATOM 41 CB VAL A 3 -18.412 -10.029 3.226 1.00 11.54 C ATOM 42 CG1 VAL A 3 -19.623 -9.296 3.769 1.00 32.33 C ATOM 43 CG2 VAL A 3 -17.822 -10.957 4.287 1.00 74.03 C ATOM 0 H VAL A 3 -19.629 -12.347 3.073 1.00 75.21 H new ATOM 0 HA VAL A 3 -19.258 -10.120 1.247 1.00 54.03 H new ATOM 0 HB VAL A 3 -17.652 -9.292 2.965 1.00 11.54 H new ATOM 0 HG11 VAL A 3 -19.345 -8.752 4.672 1.00 32.33 H new ATOM 0 HG12 VAL A 3 -19.989 -8.593 3.020 1.00 32.33 H new ATOM 0 HG13 VAL A 3 -20.407 -10.015 4.006 1.00 32.33 H new ATOM 0 HG21 VAL A 3 -17.574 -10.380 5.178 1.00 74.03 H new ATOM 0 HG22 VAL A 3 -18.551 -11.726 4.544 1.00 74.03 H new ATOM 0 HG23 VAL A 3 -16.920 -11.428 3.897 1.00 74.03 H new ATOM 53 N SER A 4 -16.778 -10.484 0.690 1.00 42.13 N ATOM 54 CA SER A 4 -15.544 -10.827 0.067 1.00 31.32 C ATOM 55 C SER A 4 -14.604 -9.629 0.132 1.00 22.11 C ATOM 56 O SER A 4 -14.747 -8.665 -0.632 1.00 54.40 O ATOM 57 CB SER A 4 -15.779 -11.265 -1.392 1.00 2.33 C ATOM 58 OG SER A 4 -14.568 -11.651 -2.036 1.00 64.11 O ATOM 0 H SER A 4 -17.022 -9.497 0.610 1.00 42.13 H new ATOM 0 HA SER A 4 -15.090 -11.666 0.594 1.00 31.32 H new ATOM 0 HB2 SER A 4 -16.481 -12.098 -1.412 1.00 2.33 H new ATOM 0 HB3 SER A 4 -16.239 -10.447 -1.946 1.00 2.33 H new ATOM 0 HG SER A 4 -14.760 -11.923 -2.958 1.00 64.11 H new ATOM 64 N LEU A 5 -13.695 -9.657 1.069 1.00 74.43 N ATOM 65 CA LEU A 5 -12.727 -8.608 1.197 1.00 33.23 C ATOM 66 C LEU A 5 -11.351 -9.097 0.795 1.00 54.02 C ATOM 67 O LEU A 5 -10.896 -10.147 1.240 1.00 14.13 O ATOM 68 CB LEU A 5 -12.795 -7.894 2.590 1.00 24.03 C ATOM 69 CG LEU A 5 -12.724 -8.745 3.890 1.00 71.13 C ATOM 70 CD1 LEU A 5 -11.347 -9.353 4.128 1.00 52.42 C ATOM 71 CD2 LEU A 5 -13.158 -7.917 5.087 1.00 34.23 C ATOM 0 H LEU A 5 -13.607 -10.403 1.759 1.00 74.43 H new ATOM 0 HA LEU A 5 -12.978 -7.816 0.491 1.00 33.23 H new ATOM 0 HB2 LEU A 5 -11.979 -7.172 2.627 1.00 24.03 H new ATOM 0 HB3 LEU A 5 -13.725 -7.326 2.621 1.00 24.03 H new ATOM 0 HG LEU A 5 -13.413 -9.580 3.759 1.00 71.13 H new ATOM 0 HD11 LEU A 5 -11.361 -9.935 5.050 1.00 52.42 H new ATOM 0 HD12 LEU A 5 -11.087 -10.003 3.292 1.00 52.42 H new ATOM 0 HD13 LEU A 5 -10.607 -8.557 4.213 1.00 52.42 H new ATOM 0 HD21 LEU A 5 -13.103 -8.526 5.990 1.00 34.23 H new ATOM 0 HD22 LEU A 5 -12.500 -7.054 5.191 1.00 34.23 H new ATOM 0 HD23 LEU A 5 -14.183 -7.576 4.941 1.00 34.23 H new ATOM 83 N SER A 6 -10.725 -8.382 -0.088 1.00 23.33 N ATOM 84 CA SER A 6 -9.444 -8.774 -0.575 1.00 53.10 C ATOM 85 C SER A 6 -8.350 -7.955 0.088 1.00 51.12 C ATOM 86 O SER A 6 -8.294 -6.729 -0.073 1.00 62.13 O ATOM 87 CB SER A 6 -9.398 -8.599 -2.112 1.00 21.25 C ATOM 88 OG SER A 6 -8.179 -9.069 -2.677 1.00 64.42 O ATOM 0 H SER A 6 -11.087 -7.516 -0.488 1.00 23.33 H new ATOM 0 HA SER A 6 -9.276 -9.823 -0.332 1.00 53.10 H new ATOM 0 HB2 SER A 6 -10.234 -9.136 -2.561 1.00 21.25 H new ATOM 0 HB3 SER A 6 -9.527 -7.545 -2.359 1.00 21.25 H new ATOM 0 HG SER A 6 -8.317 -9.962 -3.056 1.00 64.42 H new ATOM 94 N TYR A 7 -7.520 -8.608 0.876 1.00 43.05 N ATOM 95 CA TYR A 7 -6.355 -7.960 1.410 1.00 52.34 C ATOM 96 C TYR A 7 -5.304 -8.011 0.332 1.00 20.00 C ATOM 97 O TYR A 7 -4.728 -9.074 0.051 1.00 15.11 O ATOM 98 CB TYR A 7 -5.857 -8.632 2.708 1.00 60.34 C ATOM 99 CG TYR A 7 -4.604 -7.993 3.296 1.00 44.21 C ATOM 100 CD1 TYR A 7 -4.673 -6.798 3.996 1.00 32.02 C ATOM 101 CD2 TYR A 7 -3.353 -8.586 3.135 1.00 10.52 C ATOM 102 CE1 TYR A 7 -3.537 -6.210 4.523 1.00 33.12 C ATOM 103 CE2 TYR A 7 -2.211 -8.004 3.659 1.00 32.22 C ATOM 104 CZ TYR A 7 -2.309 -6.816 4.353 1.00 24.24 C ATOM 105 OH TYR A 7 -1.171 -6.226 4.875 1.00 44.51 O ATOM 0 H TYR A 7 -7.636 -9.582 1.156 1.00 43.05 H new ATOM 0 HA TYR A 7 -6.588 -6.932 1.686 1.00 52.34 H new ATOM 0 HB2 TYR A 7 -6.653 -8.597 3.452 1.00 60.34 H new ATOM 0 HB3 TYR A 7 -5.655 -9.684 2.506 1.00 60.34 H new ATOM 0 HD1 TYR A 7 -5.631 -6.318 4.132 1.00 32.02 H new ATOM 0 HD2 TYR A 7 -3.273 -9.516 2.592 1.00 10.52 H new ATOM 0 HE1 TYR A 7 -3.611 -5.279 5.066 1.00 33.12 H new ATOM 0 HE2 TYR A 7 -1.250 -8.477 3.525 1.00 32.22 H new ATOM 0 HH TYR A 7 -0.390 -6.781 4.668 1.00 44.51 H new ATOM 115 N ARG A 8 -5.095 -6.906 -0.301 1.00 34.54 N ATOM 116 CA ARG A 8 -4.195 -6.826 -1.399 1.00 13.01 C ATOM 117 C ARG A 8 -3.234 -5.706 -1.151 1.00 50.40 C ATOM 118 O ARG A 8 -3.561 -4.525 -1.371 1.00 74.52 O ATOM 119 CB ARG A 8 -4.980 -6.623 -2.686 1.00 21.51 C ATOM 120 CG ARG A 8 -4.167 -6.687 -3.963 1.00 42.52 C ATOM 121 CD ARG A 8 -5.089 -6.565 -5.158 1.00 13.24 C ATOM 122 NE ARG A 8 -6.145 -7.593 -5.105 1.00 24.14 N ATOM 123 CZ ARG A 8 -7.273 -7.587 -5.815 1.00 10.44 C ATOM 124 NH1 ARG A 8 -7.502 -6.627 -6.705 1.00 51.52 N ATOM 125 NH2 ARG A 8 -8.174 -8.544 -5.622 1.00 44.42 N ATOM 0 H ARG A 8 -5.550 -6.024 -0.067 1.00 34.54 H new ATOM 0 HA ARG A 8 -3.627 -7.751 -1.502 1.00 13.01 H new ATOM 0 HB2 ARG A 8 -5.763 -7.379 -2.736 1.00 21.51 H new ATOM 0 HB3 ARG A 8 -5.476 -5.653 -2.640 1.00 21.51 H new ATOM 0 HG2 ARG A 8 -3.429 -5.885 -3.977 1.00 42.52 H new ATOM 0 HG3 ARG A 8 -3.617 -7.627 -4.009 1.00 42.52 H new ATOM 0 HD2 ARG A 8 -5.540 -5.573 -5.176 1.00 13.24 H new ATOM 0 HD3 ARG A 8 -4.516 -6.672 -6.079 1.00 13.24 H new ATOM 0 HE ARG A 8 -5.999 -8.377 -4.469 1.00 24.14 H new ATOM 0 HH11 ARG A 8 -6.813 -5.889 -6.848 1.00 51.52 H new ATOM 0 HH12 ARG A 8 -8.367 -6.628 -7.245 1.00 51.52 H new ATOM 0 HH21 ARG A 8 -8.000 -9.277 -4.934 1.00 44.42 H new ATOM 0 HH22 ARG A 8 -9.040 -8.546 -6.162 1.00 44.42 H new ATOM 139 N CYS A 9 -2.074 -6.085 -0.630 1.00 30.11 N ATOM 140 CA CYS A 9 -1.004 -5.180 -0.234 1.00 34.40 C ATOM 141 C CYS A 9 -1.426 -4.436 1.065 1.00 23.32 C ATOM 142 O CYS A 9 -2.614 -4.428 1.419 1.00 51.13 O ATOM 143 CB CYS A 9 -0.651 -4.190 -1.380 1.00 31.15 C ATOM 144 SG CYS A 9 -0.342 -5.000 -3.003 1.00 22.11 S ATOM 0 H CYS A 9 -1.845 -7.065 -0.466 1.00 30.11 H new ATOM 0 HA CYS A 9 -0.099 -5.753 -0.032 1.00 34.40 H new ATOM 0 HB2 CYS A 9 -1.466 -3.475 -1.492 1.00 31.15 H new ATOM 0 HB3 CYS A 9 0.234 -3.622 -1.095 1.00 31.15 H new ATOM 149 N PRO A 10 -0.471 -3.843 1.821 1.00 30.11 N ATOM 150 CA PRO A 10 -0.797 -3.084 3.047 1.00 73.15 C ATOM 151 C PRO A 10 -1.721 -1.912 2.738 1.00 54.52 C ATOM 152 O PRO A 10 -2.507 -1.470 3.585 1.00 41.22 O ATOM 153 CB PRO A 10 0.558 -2.565 3.522 1.00 45.14 C ATOM 154 CG PRO A 10 1.551 -3.484 2.904 1.00 13.35 C ATOM 155 CD PRO A 10 0.978 -3.888 1.583 1.00 74.20 C ATOM 0 HA PRO A 10 -1.312 -3.696 3.788 1.00 73.15 H new ATOM 0 HB2 PRO A 10 0.721 -1.535 3.205 1.00 45.14 H new ATOM 0 HB3 PRO A 10 0.628 -2.579 4.610 1.00 45.14 H new ATOM 0 HG2 PRO A 10 2.513 -2.988 2.776 1.00 13.35 H new ATOM 0 HG3 PRO A 10 1.723 -4.355 3.537 1.00 13.35 H new ATOM 0 HD2 PRO A 10 1.277 -3.205 0.788 1.00 74.20 H new ATOM 0 HD3 PRO A 10 1.307 -4.884 1.288 1.00 74.20 H new ATOM 163 N CYS A 11 -1.613 -1.416 1.529 1.00 24.53 N ATOM 164 CA CYS A 11 -2.449 -0.365 1.054 1.00 30.40 C ATOM 165 C CYS A 11 -3.246 -0.826 -0.138 1.00 62.11 C ATOM 166 O CYS A 11 -2.692 -1.103 -1.208 1.00 33.21 O ATOM 167 CB CYS A 11 -1.636 0.868 0.707 1.00 2.34 C ATOM 168 SG CYS A 11 -0.852 1.667 2.138 1.00 43.42 S ATOM 0 H CYS A 11 -0.929 -1.743 0.846 1.00 24.53 H new ATOM 0 HA CYS A 11 -3.140 -0.096 1.853 1.00 30.40 H new ATOM 0 HB2 CYS A 11 -0.863 0.590 -0.009 1.00 2.34 H new ATOM 0 HB3 CYS A 11 -2.285 1.590 0.212 1.00 2.34 H new ATOM 173 N ARG A 12 -4.524 -0.936 0.050 1.00 71.53 N ATOM 174 CA ARG A 12 -5.419 -1.317 -1.001 1.00 73.12 C ATOM 175 C ARG A 12 -5.908 -0.056 -1.682 1.00 74.42 C ATOM 176 O ARG A 12 -6.684 0.713 -1.097 1.00 11.13 O ATOM 177 CB ARG A 12 -6.572 -2.140 -0.428 1.00 64.01 C ATOM 178 CG ARG A 12 -7.597 -2.601 -1.440 1.00 31.43 C ATOM 179 CD ARG A 12 -8.611 -3.526 -0.792 1.00 11.22 C ATOM 180 NE ARG A 12 -9.302 -2.899 0.349 1.00 34.42 N ATOM 181 CZ ARG A 12 -9.670 -3.553 1.462 1.00 62.23 C ATOM 182 NH1 ARG A 12 -9.385 -4.845 1.603 1.00 43.21 N ATOM 183 NH2 ARG A 12 -10.304 -2.911 2.436 1.00 3.40 N ATOM 0 H ARG A 12 -4.981 -0.763 0.945 1.00 71.53 H new ATOM 0 HA ARG A 12 -4.914 -1.942 -1.737 1.00 73.12 H new ATOM 0 HB2 ARG A 12 -6.159 -3.016 0.072 1.00 64.01 H new ATOM 0 HB3 ARG A 12 -7.078 -1.547 0.334 1.00 64.01 H new ATOM 0 HG2 ARG A 12 -8.106 -1.738 -1.869 1.00 31.43 H new ATOM 0 HG3 ARG A 12 -7.099 -3.117 -2.261 1.00 31.43 H new ATOM 0 HD2 ARG A 12 -9.348 -3.830 -1.536 1.00 11.22 H new ATOM 0 HD3 ARG A 12 -8.107 -4.432 -0.454 1.00 11.22 H new ATOM 0 HE ARG A 12 -9.514 -1.903 0.289 1.00 34.42 H new ATOM 0 HH11 ARG A 12 -8.886 -5.341 0.864 1.00 43.21 H new ATOM 0 HH12 ARG A 12 -9.666 -5.340 2.450 1.00 43.21 H new ATOM 0 HH21 ARG A 12 -10.513 -1.917 2.340 1.00 3.40 H new ATOM 0 HH22 ARG A 12 -10.582 -3.412 3.280 1.00 3.40 H new ATOM 197 N PHE A 13 -5.411 0.159 -2.901 1.00 72.42 N ATOM 198 CA PHE A 13 -5.656 1.361 -3.705 1.00 22.20 C ATOM 199 C PHE A 13 -4.904 2.564 -3.163 1.00 31.51 C ATOM 200 O PHE A 13 -4.898 2.837 -1.960 1.00 63.14 O ATOM 201 CB PHE A 13 -7.148 1.686 -3.916 1.00 31.21 C ATOM 202 CG PHE A 13 -7.914 0.619 -4.649 1.00 11.32 C ATOM 203 CD1 PHE A 13 -7.776 0.469 -6.017 1.00 54.22 C ATOM 204 CD2 PHE A 13 -8.771 -0.229 -3.971 1.00 43.25 C ATOM 205 CE1 PHE A 13 -8.478 -0.507 -6.694 1.00 33.42 C ATOM 206 CE2 PHE A 13 -9.476 -1.208 -4.641 1.00 15.11 C ATOM 207 CZ PHE A 13 -9.328 -1.349 -6.004 1.00 64.12 C ATOM 0 H PHE A 13 -4.809 -0.517 -3.371 1.00 72.42 H new ATOM 0 HA PHE A 13 -5.263 1.125 -4.694 1.00 22.20 H new ATOM 0 HB2 PHE A 13 -7.614 1.849 -2.944 1.00 31.21 H new ATOM 0 HB3 PHE A 13 -7.230 2.621 -4.470 1.00 31.21 H new ATOM 0 HD1 PHE A 13 -7.111 1.123 -6.561 1.00 54.22 H new ATOM 0 HD2 PHE A 13 -8.890 -0.124 -2.903 1.00 43.25 H new ATOM 0 HE1 PHE A 13 -8.363 -0.612 -7.763 1.00 33.42 H new ATOM 0 HE2 PHE A 13 -10.142 -1.862 -4.098 1.00 15.11 H new ATOM 0 HZ PHE A 13 -9.875 -2.116 -6.531 1.00 64.12 H new ATOM 217 N PHE A 14 -4.258 3.256 -4.052 1.00 43.50 N ATOM 218 CA PHE A 14 -3.497 4.440 -3.721 1.00 71.05 C ATOM 219 C PHE A 14 -4.279 5.633 -4.192 1.00 10.31 C ATOM 220 O PHE A 14 -5.006 5.528 -5.193 1.00 55.31 O ATOM 221 CB PHE A 14 -2.140 4.430 -4.422 1.00 41.33 C ATOM 222 CG PHE A 14 -1.294 3.224 -4.137 1.00 31.23 C ATOM 223 CD1 PHE A 14 -0.677 3.064 -2.911 1.00 14.13 C ATOM 224 CD2 PHE A 14 -1.104 2.257 -5.109 1.00 60.51 C ATOM 225 CE1 PHE A 14 0.114 1.963 -2.658 1.00 2.52 C ATOM 226 CE2 PHE A 14 -0.318 1.154 -4.864 1.00 24.25 C ATOM 227 CZ PHE A 14 0.293 1.006 -3.636 1.00 61.04 C ATOM 0 H PHE A 14 -4.239 3.017 -5.044 1.00 43.50 H new ATOM 0 HA PHE A 14 -3.327 4.474 -2.645 1.00 71.05 H new ATOM 0 HB2 PHE A 14 -2.302 4.497 -5.498 1.00 41.33 H new ATOM 0 HB3 PHE A 14 -1.588 5.322 -4.127 1.00 41.33 H new ATOM 0 HD1 PHE A 14 -0.816 3.810 -2.142 1.00 14.13 H new ATOM 0 HD2 PHE A 14 -1.579 2.369 -6.072 1.00 60.51 H new ATOM 0 HE1 PHE A 14 0.592 1.850 -1.696 1.00 2.52 H new ATOM 0 HE2 PHE A 14 -0.180 0.406 -5.631 1.00 24.25 H new ATOM 0 HZ PHE A 14 0.911 0.142 -3.440 1.00 61.04 H new ATOM 237 N GLU A 15 -4.175 6.754 -3.492 1.00 40.50 N ATOM 238 CA GLU A 15 -4.891 7.930 -3.886 1.00 22.42 C ATOM 239 C GLU A 15 -4.458 8.396 -5.275 1.00 43.24 C ATOM 240 O GLU A 15 -5.281 8.796 -6.091 1.00 70.24 O ATOM 241 CB GLU A 15 -4.686 9.038 -2.888 1.00 12.12 C ATOM 242 CG GLU A 15 -5.392 10.293 -3.276 1.00 44.34 C ATOM 243 CD GLU A 15 -5.362 11.364 -2.229 1.00 51.50 C ATOM 244 OE1 GLU A 15 -6.146 11.255 -1.262 1.00 44.13 O ATOM 245 OE2 GLU A 15 -4.594 12.334 -2.368 1.00 63.32 O ATOM 0 H GLU A 15 -3.602 6.861 -2.655 1.00 40.50 H new ATOM 0 HA GLU A 15 -5.951 7.677 -3.919 1.00 22.42 H new ATOM 0 HB2 GLU A 15 -5.041 8.712 -1.910 1.00 12.12 H new ATOM 0 HB3 GLU A 15 -3.620 9.241 -2.789 1.00 12.12 H new ATOM 0 HG2 GLU A 15 -4.943 10.681 -4.190 1.00 44.34 H new ATOM 0 HG3 GLU A 15 -6.430 10.056 -3.507 1.00 44.34 H new ATOM 252 N SER A 16 -3.143 8.328 -5.523 1.00 32.04 N ATOM 253 CA SER A 16 -2.503 8.729 -6.792 1.00 73.24 C ATOM 254 C SER A 16 -2.755 10.199 -7.171 1.00 73.11 C ATOM 255 O SER A 16 -2.456 10.644 -8.283 1.00 15.21 O ATOM 256 CB SER A 16 -2.806 7.731 -7.943 1.00 24.32 C ATOM 257 OG SER A 16 -4.200 7.559 -8.183 1.00 72.40 O ATOM 0 H SER A 16 -2.475 7.985 -4.833 1.00 32.04 H new ATOM 0 HA SER A 16 -1.428 8.673 -6.618 1.00 73.24 H new ATOM 0 HB2 SER A 16 -2.327 8.083 -8.857 1.00 24.32 H new ATOM 0 HB3 SER A 16 -2.363 6.764 -7.703 1.00 24.32 H new ATOM 0 HG SER A 16 -4.702 8.254 -7.709 1.00 72.40 H new ATOM 263 N HIS A 17 -3.247 10.949 -6.221 1.00 73.30 N ATOM 264 CA HIS A 17 -3.523 12.347 -6.398 1.00 63.23 C ATOM 265 C HIS A 17 -2.949 13.044 -5.183 1.00 71.13 C ATOM 266 O HIS A 17 -3.413 14.100 -4.754 1.00 11.41 O ATOM 267 CB HIS A 17 -5.047 12.557 -6.477 1.00 11.21 C ATOM 268 CG HIS A 17 -5.436 13.895 -7.032 1.00 22.22 C ATOM 269 ND1 HIS A 17 -5.478 14.149 -8.378 1.00 73.21 N ATOM 270 CD2 HIS A 17 -5.774 15.058 -6.426 1.00 11.21 C ATOM 271 CE1 HIS A 17 -5.816 15.395 -8.582 1.00 33.03 C ATOM 272 NE2 HIS A 17 -6.006 15.975 -7.415 1.00 72.22 N ATOM 0 H HIS A 17 -3.470 10.599 -5.289 1.00 73.30 H new ATOM 0 HA HIS A 17 -3.085 12.742 -7.315 1.00 63.23 H new ATOM 0 HB2 HIS A 17 -5.482 11.774 -7.098 1.00 11.21 H new ATOM 0 HB3 HIS A 17 -5.474 12.448 -5.480 1.00 11.21 H new ATOM 0 HD2 HIS A 17 -5.847 15.230 -5.362 1.00 11.21 H new ATOM 0 HE1 HIS A 17 -5.922 15.870 -9.546 1.00 33.03 H new ATOM 0 HE2 HIS A 17 -6.281 16.947 -7.272 1.00 72.22 H new ATOM 281 N VAL A 18 -1.874 12.477 -4.682 1.00 32.42 N ATOM 282 CA VAL A 18 -1.290 12.940 -3.463 1.00 4.23 C ATOM 283 C VAL A 18 -0.231 13.954 -3.790 1.00 15.21 C ATOM 284 O VAL A 18 0.694 13.679 -4.559 1.00 53.14 O ATOM 285 CB VAL A 18 -0.653 11.778 -2.663 1.00 12.21 C ATOM 286 CG1 VAL A 18 -0.180 12.264 -1.305 1.00 25.53 C ATOM 287 CG2 VAL A 18 -1.630 10.621 -2.512 1.00 73.52 C ATOM 0 H VAL A 18 -1.390 11.688 -5.111 1.00 32.42 H new ATOM 0 HA VAL A 18 -2.074 13.383 -2.849 1.00 4.23 H new ATOM 0 HB VAL A 18 0.212 11.416 -3.219 1.00 12.21 H new ATOM 0 HG11 VAL A 18 0.265 11.434 -0.756 1.00 25.53 H new ATOM 0 HG12 VAL A 18 0.563 13.051 -1.438 1.00 25.53 H new ATOM 0 HG13 VAL A 18 -1.028 12.657 -0.744 1.00 25.53 H new ATOM 0 HG21 VAL A 18 -1.158 9.818 -1.946 1.00 73.52 H new ATOM 0 HG22 VAL A 18 -2.520 10.963 -1.983 1.00 73.52 H new ATOM 0 HG23 VAL A 18 -1.913 10.253 -3.498 1.00 73.52 H new ATOM 297 N ALA A 19 -0.385 15.126 -3.243 1.00 42.33 N ATOM 298 CA ALA A 19 0.520 16.211 -3.500 1.00 2.45 C ATOM 299 C ALA A 19 1.424 16.440 -2.310 1.00 10.21 C ATOM 300 O ALA A 19 0.969 16.402 -1.172 1.00 2.13 O ATOM 301 CB ALA A 19 -0.273 17.468 -3.818 1.00 62.35 C ATOM 0 H ALA A 19 -1.145 15.357 -2.603 1.00 42.33 H new ATOM 0 HA ALA A 19 1.146 15.959 -4.356 1.00 2.45 H new ATOM 0 HB1 ALA A 19 0.414 18.292 -4.013 1.00 62.35 H new ATOM 0 HB2 ALA A 19 -0.892 17.295 -4.699 1.00 62.35 H new ATOM 0 HB3 ALA A 19 -0.911 17.720 -2.971 1.00 62.35 H new ATOM 307 N ARG A 20 2.702 16.694 -2.588 1.00 32.22 N ATOM 308 CA ARG A 20 3.739 16.949 -1.576 1.00 33.25 C ATOM 309 C ARG A 20 3.325 18.071 -0.609 1.00 62.30 C ATOM 310 O ARG A 20 3.653 18.033 0.571 1.00 55.04 O ATOM 311 CB ARG A 20 5.041 17.329 -2.305 1.00 15.12 C ATOM 312 CG ARG A 20 6.245 17.661 -1.429 1.00 33.43 C ATOM 313 CD ARG A 20 6.682 16.505 -0.561 1.00 62.43 C ATOM 314 NE ARG A 20 7.938 16.823 0.133 1.00 11.31 N ATOM 315 CZ ARG A 20 8.544 16.083 1.068 1.00 64.21 C ATOM 316 NH1 ARG A 20 7.963 14.991 1.554 1.00 21.54 N ATOM 317 NH2 ARG A 20 9.726 16.459 1.533 1.00 43.21 N ATOM 0 H ARG A 20 3.058 16.730 -3.543 1.00 32.22 H new ATOM 0 HA ARG A 20 3.883 16.049 -0.979 1.00 33.25 H new ATOM 0 HB2 ARG A 20 5.316 16.504 -2.963 1.00 15.12 H new ATOM 0 HB3 ARG A 20 4.836 18.190 -2.942 1.00 15.12 H new ATOM 0 HG2 ARG A 20 7.077 17.965 -2.065 1.00 33.43 H new ATOM 0 HG3 ARG A 20 6.001 18.513 -0.794 1.00 33.43 H new ATOM 0 HD2 ARG A 20 5.905 16.277 0.169 1.00 62.43 H new ATOM 0 HD3 ARG A 20 6.815 15.613 -1.174 1.00 62.43 H new ATOM 0 HE ARG A 20 8.394 17.698 -0.125 1.00 11.31 H new ATOM 0 HH11 ARG A 20 7.044 14.708 1.214 1.00 21.54 H new ATOM 0 HH12 ARG A 20 8.436 14.436 2.267 1.00 21.54 H new ATOM 0 HH21 ARG A 20 10.167 17.307 1.178 1.00 43.21 H new ATOM 0 HH22 ARG A 20 10.195 15.900 2.246 1.00 43.21 H new ATOM 331 N ALA A 21 2.599 19.043 -1.114 1.00 33.21 N ATOM 332 CA ALA A 21 2.146 20.167 -0.307 1.00 32.44 C ATOM 333 C ALA A 21 1.050 19.762 0.674 1.00 63.43 C ATOM 334 O ALA A 21 0.936 20.334 1.747 1.00 23.51 O ATOM 335 CB ALA A 21 1.644 21.272 -1.201 1.00 54.52 C ATOM 0 H ALA A 21 2.304 19.082 -2.090 1.00 33.21 H new ATOM 0 HA ALA A 21 2.999 20.518 0.274 1.00 32.44 H new ATOM 0 HB1 ALA A 21 1.307 22.109 -0.590 1.00 54.52 H new ATOM 0 HB2 ALA A 21 2.449 21.603 -1.858 1.00 54.52 H new ATOM 0 HB3 ALA A 21 0.813 20.904 -1.803 1.00 54.52 H new ATOM 341 N ASN A 22 0.276 18.755 0.315 1.00 12.52 N ATOM 342 CA ASN A 22 -0.853 18.326 1.142 1.00 45.23 C ATOM 343 C ASN A 22 -0.424 17.179 2.060 1.00 51.04 C ATOM 344 O ASN A 22 -1.220 16.610 2.788 1.00 62.34 O ATOM 345 CB ASN A 22 -2.054 17.913 0.242 1.00 12.22 C ATOM 346 CG ASN A 22 -3.338 17.532 1.011 1.00 3.21 C ATOM 347 OD1 ASN A 22 -3.605 18.028 2.122 1.00 23.22 O ATOM 348 ND2 ASN A 22 -4.136 16.661 0.428 1.00 75.31 N ATOM 0 H ASN A 22 0.402 18.215 -0.541 1.00 12.52 H new ATOM 0 HA ASN A 22 -1.176 19.158 1.768 1.00 45.23 H new ATOM 0 HB2 ASN A 22 -2.283 18.736 -0.434 1.00 12.22 H new ATOM 0 HB3 ASN A 22 -1.753 17.067 -0.376 1.00 12.22 H new ATOM 0 HD21 ASN A 22 -5.001 16.375 0.887 1.00 75.31 H new ATOM 0 HD22 ASN A 22 -3.889 16.273 -0.482 1.00 75.31 H new ATOM 355 N VAL A 23 0.847 16.862 2.049 1.00 54.13 N ATOM 356 CA VAL A 23 1.331 15.780 2.889 1.00 24.44 C ATOM 357 C VAL A 23 1.924 16.293 4.211 1.00 54.00 C ATOM 358 O VAL A 23 2.853 17.102 4.226 1.00 11.53 O ATOM 359 CB VAL A 23 2.332 14.853 2.175 1.00 23.35 C ATOM 360 CG1 VAL A 23 2.811 13.799 3.119 1.00 12.54 C ATOM 361 CG2 VAL A 23 1.717 14.220 0.942 1.00 30.02 C ATOM 0 H VAL A 23 1.558 17.324 1.482 1.00 54.13 H new ATOM 0 HA VAL A 23 0.449 15.182 3.117 1.00 24.44 H new ATOM 0 HB VAL A 23 3.181 15.454 1.849 1.00 23.35 H new ATOM 0 HG11 VAL A 23 3.519 13.147 2.607 1.00 12.54 H new ATOM 0 HG12 VAL A 23 3.302 14.269 3.971 1.00 12.54 H new ATOM 0 HG13 VAL A 23 1.963 13.211 3.468 1.00 12.54 H new ATOM 0 HG21 VAL A 23 2.450 13.572 0.462 1.00 30.02 H new ATOM 0 HG22 VAL A 23 0.846 13.631 1.231 1.00 30.02 H new ATOM 0 HG23 VAL A 23 1.412 15.001 0.246 1.00 30.02 H new ATOM 371 N LYS A 24 1.362 15.802 5.299 1.00 4.24 N ATOM 372 CA LYS A 24 1.723 16.135 6.657 1.00 63.42 C ATOM 373 C LYS A 24 2.924 15.273 7.104 1.00 43.33 C ATOM 374 O LYS A 24 3.892 15.763 7.673 1.00 14.34 O ATOM 375 CB LYS A 24 0.522 15.746 7.537 1.00 43.32 C ATOM 376 CG LYS A 24 0.582 16.228 8.955 1.00 21.11 C ATOM 377 CD LYS A 24 0.020 17.611 9.021 1.00 24.00 C ATOM 378 CE LYS A 24 -1.514 17.588 9.044 1.00 72.14 C ATOM 379 NZ LYS A 24 -2.054 16.969 10.280 1.00 1.11 N ATOM 0 H LYS A 24 0.601 15.124 5.253 1.00 4.24 H new ATOM 0 HA LYS A 24 1.979 17.191 6.737 1.00 63.42 H new ATOM 0 HB2 LYS A 24 -0.386 16.136 7.077 1.00 43.32 H new ATOM 0 HB3 LYS A 24 0.435 14.660 7.544 1.00 43.32 H new ATOM 0 HG2 LYS A 24 0.016 15.560 9.604 1.00 21.11 H new ATOM 0 HG3 LYS A 24 1.612 16.222 9.312 1.00 21.11 H new ATOM 0 HD2 LYS A 24 0.392 18.115 9.913 1.00 24.00 H new ATOM 0 HD3 LYS A 24 0.365 18.187 8.162 1.00 24.00 H new ATOM 0 HE2 LYS A 24 -1.891 18.607 8.957 1.00 72.14 H new ATOM 0 HE3 LYS A 24 -1.879 17.038 8.177 1.00 72.14 H new ATOM 0 HZ1 LYS A 24 -3.075 17.157 10.345 1.00 1.11 H new ATOM 0 HZ2 LYS A 24 -1.892 15.942 10.253 1.00 1.11 H new ATOM 0 HZ3 LYS A 24 -1.574 17.374 11.109 1.00 1.11 H new ATOM 393 N HIS A 25 2.826 13.995 6.818 1.00 43.54 N ATOM 394 CA HIS A 25 3.779 12.980 7.274 1.00 71.44 C ATOM 395 C HIS A 25 3.928 11.915 6.214 1.00 34.01 C ATOM 396 O HIS A 25 2.966 11.604 5.552 1.00 14.54 O ATOM 397 CB HIS A 25 3.225 12.346 8.592 1.00 65.24 C ATOM 398 CG HIS A 25 3.848 11.030 9.019 1.00 44.50 C ATOM 399 ND1 HIS A 25 4.791 10.912 10.004 1.00 43.42 N ATOM 400 CD2 HIS A 25 3.599 9.763 8.588 1.00 33.53 C ATOM 401 CE1 HIS A 25 5.101 9.636 10.163 1.00 53.33 C ATOM 402 NE2 HIS A 25 4.388 8.922 9.316 1.00 23.43 N ATOM 0 H HIS A 25 2.070 13.613 6.251 1.00 43.54 H new ATOM 0 HA HIS A 25 4.755 13.430 7.458 1.00 71.44 H new ATOM 0 HB2 HIS A 25 3.358 13.066 9.400 1.00 65.24 H new ATOM 0 HB3 HIS A 25 2.152 12.194 8.474 1.00 65.24 H new ATOM 0 HD1 HIS A 25 5.192 11.687 10.533 1.00 43.42 H new ATOM 0 HD2 HIS A 25 2.904 9.477 7.812 1.00 33.53 H new ATOM 0 HE1 HIS A 25 5.819 9.245 10.869 1.00 53.33 H new ATOM 411 N LEU A 26 5.121 11.356 6.073 1.00 43.23 N ATOM 412 CA LEU A 26 5.350 10.267 5.136 1.00 60.12 C ATOM 413 C LEU A 26 6.026 9.104 5.855 1.00 5.44 C ATOM 414 O LEU A 26 6.858 9.313 6.737 1.00 54.45 O ATOM 415 CB LEU A 26 6.211 10.676 3.920 1.00 41.53 C ATOM 416 CG LEU A 26 5.748 11.860 3.082 1.00 43.22 C ATOM 417 CD1 LEU A 26 6.109 13.185 3.740 1.00 21.45 C ATOM 418 CD2 LEU A 26 6.278 11.784 1.669 1.00 4.41 C ATOM 0 H LEU A 26 5.948 11.640 6.598 1.00 43.23 H new ATOM 0 HA LEU A 26 4.371 9.976 4.755 1.00 60.12 H new ATOM 0 HB2 LEU A 26 7.216 10.895 4.281 1.00 41.53 H new ATOM 0 HB3 LEU A 26 6.290 9.811 3.261 1.00 41.53 H new ATOM 0 HG LEU A 26 4.661 11.809 3.024 1.00 43.22 H new ATOM 0 HD11 LEU A 26 5.763 14.008 3.114 1.00 21.45 H new ATOM 0 HD12 LEU A 26 5.632 13.247 4.718 1.00 21.45 H new ATOM 0 HD13 LEU A 26 7.191 13.249 3.859 1.00 21.45 H new ATOM 0 HD21 LEU A 26 5.926 12.646 1.102 1.00 4.41 H new ATOM 0 HD22 LEU A 26 7.368 11.783 1.689 1.00 4.41 H new ATOM 0 HD23 LEU A 26 5.923 10.869 1.196 1.00 4.41 H new ATOM 430 N LYS A 27 5.644 7.910 5.501 1.00 22.34 N ATOM 431 CA LYS A 27 6.192 6.698 6.060 1.00 65.52 C ATOM 432 C LYS A 27 6.378 5.730 4.908 1.00 24.34 C ATOM 433 O LYS A 27 5.435 5.474 4.168 1.00 43.22 O ATOM 434 CB LYS A 27 5.195 6.128 7.116 1.00 12.23 C ATOM 435 CG LYS A 27 5.704 4.936 7.962 1.00 25.42 C ATOM 436 CD LYS A 27 5.802 3.619 7.185 1.00 71.14 C ATOM 437 CE LYS A 27 4.426 3.046 6.859 1.00 41.54 C ATOM 438 NZ LYS A 27 3.713 2.599 8.079 1.00 11.11 N ATOM 0 H LYS A 27 4.924 7.744 4.798 1.00 22.34 H new ATOM 0 HA LYS A 27 7.145 6.872 6.560 1.00 65.52 H new ATOM 0 HB2 LYS A 27 4.915 6.935 7.794 1.00 12.23 H new ATOM 0 HB3 LYS A 27 4.287 5.818 6.598 1.00 12.23 H new ATOM 0 HG2 LYS A 27 6.686 5.183 8.365 1.00 25.42 H new ATOM 0 HG3 LYS A 27 5.037 4.796 8.812 1.00 25.42 H new ATOM 0 HD2 LYS A 27 6.355 3.784 6.260 1.00 71.14 H new ATOM 0 HD3 LYS A 27 6.368 2.894 7.770 1.00 71.14 H new ATOM 0 HE2 LYS A 27 3.830 3.801 6.346 1.00 41.54 H new ATOM 0 HE3 LYS A 27 4.535 2.206 6.173 1.00 41.54 H new ATOM 0 HZ1 LYS A 27 2.911 1.994 7.810 1.00 11.11 H new ATOM 0 HZ2 LYS A 27 4.365 2.060 8.684 1.00 11.11 H new ATOM 0 HZ3 LYS A 27 3.363 3.428 8.600 1.00 11.11 H new ATOM 452 N ILE A 28 7.562 5.202 4.737 1.00 2.21 N ATOM 453 CA ILE A 28 7.789 4.305 3.631 1.00 55.25 C ATOM 454 C ILE A 28 7.815 2.863 4.095 1.00 13.40 C ATOM 455 O ILE A 28 8.555 2.497 5.021 1.00 25.12 O ATOM 456 CB ILE A 28 9.096 4.603 2.873 1.00 25.41 C ATOM 457 CG1 ILE A 28 9.178 6.074 2.555 1.00 45.12 C ATOM 458 CG2 ILE A 28 9.116 3.843 1.565 1.00 33.14 C ATOM 459 CD1 ILE A 28 10.319 6.416 1.647 1.00 3.13 C ATOM 0 H ILE A 28 8.370 5.372 5.335 1.00 2.21 H new ATOM 0 HA ILE A 28 6.955 4.465 2.947 1.00 55.25 H new ATOM 0 HB ILE A 28 9.935 4.302 3.500 1.00 25.41 H new ATOM 0 HG12 ILE A 28 8.244 6.392 2.091 1.00 45.12 H new ATOM 0 HG13 ILE A 28 9.280 6.635 3.484 1.00 45.12 H new ATOM 0 HG21 ILE A 28 10.043 4.058 1.033 1.00 33.14 H new ATOM 0 HG22 ILE A 28 9.052 2.773 1.765 1.00 33.14 H new ATOM 0 HG23 ILE A 28 8.268 4.149 0.953 1.00 33.14 H new ATOM 0 HD11 ILE A 28 10.323 7.489 1.456 1.00 3.13 H new ATOM 0 HD12 ILE A 28 11.258 6.128 2.119 1.00 3.13 H new ATOM 0 HD13 ILE A 28 10.207 5.880 0.704 1.00 3.13 H new ATOM 471 N LEU A 29 6.998 2.070 3.482 1.00 70.44 N ATOM 472 CA LEU A 29 6.929 0.668 3.736 1.00 65.50 C ATOM 473 C LEU A 29 7.305 -0.078 2.463 1.00 4.10 C ATOM 474 O LEU A 29 7.018 0.382 1.362 1.00 24.42 O ATOM 475 CB LEU A 29 5.508 0.310 4.180 1.00 54.32 C ATOM 476 CG LEU A 29 5.190 -1.157 4.421 1.00 53.34 C ATOM 477 CD1 LEU A 29 6.029 -1.725 5.551 1.00 44.52 C ATOM 478 CD2 LEU A 29 3.719 -1.314 4.715 1.00 21.13 C ATOM 0 H LEU A 29 6.341 2.389 2.770 1.00 70.44 H new ATOM 0 HA LEU A 29 7.622 0.384 4.529 1.00 65.50 H new ATOM 0 HB2 LEU A 29 5.298 0.854 5.101 1.00 54.32 H new ATOM 0 HB3 LEU A 29 4.817 0.683 3.424 1.00 54.32 H new ATOM 0 HG LEU A 29 5.436 -1.719 3.520 1.00 53.34 H new ATOM 0 HD11 LEU A 29 5.778 -2.775 5.698 1.00 44.52 H new ATOM 0 HD12 LEU A 29 7.086 -1.636 5.299 1.00 44.52 H new ATOM 0 HD13 LEU A 29 5.827 -1.172 6.468 1.00 44.52 H new ATOM 0 HD21 LEU A 29 3.493 -2.366 4.887 1.00 21.13 H new ATOM 0 HD22 LEU A 29 3.462 -0.737 5.603 1.00 21.13 H new ATOM 0 HD23 LEU A 29 3.138 -0.952 3.867 1.00 21.13 H new ATOM 490 N ASN A 30 7.969 -1.182 2.599 1.00 14.12 N ATOM 491 CA ASN A 30 8.311 -1.986 1.448 1.00 63.01 C ATOM 492 C ASN A 30 7.436 -3.214 1.436 1.00 71.44 C ATOM 493 O ASN A 30 7.049 -3.729 2.498 1.00 31.03 O ATOM 494 CB ASN A 30 9.803 -2.381 1.442 1.00 63.12 C ATOM 495 CG ASN A 30 10.208 -3.227 2.635 1.00 53.32 C ATOM 496 OD1 ASN A 30 10.140 -4.458 2.595 1.00 74.21 O ATOM 497 ND2 ASN A 30 10.634 -2.583 3.695 1.00 30.53 N ATOM 0 H ASN A 30 8.289 -1.555 3.493 1.00 14.12 H new ATOM 0 HA ASN A 30 8.139 -1.396 0.548 1.00 63.01 H new ATOM 0 HB2 ASN A 30 10.022 -2.930 0.526 1.00 63.12 H new ATOM 0 HB3 ASN A 30 10.411 -1.476 1.425 1.00 63.12 H new ATOM 0 HD21 ASN A 30 10.923 -3.101 4.525 1.00 30.53 H new ATOM 0 HD22 ASN A 30 10.676 -1.564 3.690 1.00 30.53 H new ATOM 504 N THR A 31 7.065 -3.654 0.272 1.00 60.10 N ATOM 505 CA THR A 31 6.252 -4.820 0.147 1.00 21.53 C ATOM 506 C THR A 31 6.705 -5.630 -1.074 1.00 13.52 C ATOM 507 O THR A 31 6.666 -5.126 -2.194 1.00 62.33 O ATOM 508 CB THR A 31 4.773 -4.428 0.011 1.00 14.42 C ATOM 509 OG1 THR A 31 4.413 -3.567 1.106 1.00 73.52 O ATOM 510 CG2 THR A 31 3.888 -5.660 0.046 1.00 4.22 C ATOM 0 H THR A 31 7.317 -3.215 -0.613 1.00 60.10 H new ATOM 0 HA THR A 31 6.362 -5.431 1.043 1.00 21.53 H new ATOM 0 HB THR A 31 4.632 -3.917 -0.941 1.00 14.42 H new ATOM 0 HG1 THR A 31 3.605 -3.063 0.874 1.00 73.52 H new ATOM 0 HG21 THR A 31 2.844 -5.361 -0.052 1.00 4.22 H new ATOM 0 HG22 THR A 31 4.154 -6.323 -0.777 1.00 4.22 H new ATOM 0 HG23 THR A 31 4.029 -6.182 0.992 1.00 4.22 H new ATOM 518 N PRO A 32 7.124 -6.899 -0.843 1.00 50.14 N ATOM 519 CA PRO A 32 7.693 -7.810 -1.855 1.00 12.40 C ATOM 520 C PRO A 32 7.143 -7.658 -3.281 1.00 1.14 C ATOM 521 O PRO A 32 7.858 -7.226 -4.173 1.00 52.10 O ATOM 522 CB PRO A 32 7.344 -9.173 -1.291 1.00 63.24 C ATOM 523 CG PRO A 32 7.474 -8.995 0.179 1.00 20.54 C ATOM 524 CD PRO A 32 7.072 -7.567 0.475 1.00 60.10 C ATOM 0 HA PRO A 32 8.755 -7.610 -1.996 1.00 12.40 H new ATOM 0 HB2 PRO A 32 6.334 -9.474 -1.569 1.00 63.24 H new ATOM 0 HB3 PRO A 32 8.020 -9.944 -1.662 1.00 63.24 H new ATOM 0 HG2 PRO A 32 6.834 -9.697 0.713 1.00 20.54 H new ATOM 0 HG3 PRO A 32 8.497 -9.186 0.504 1.00 20.54 H new ATOM 0 HD2 PRO A 32 6.074 -7.515 0.909 1.00 60.10 H new ATOM 0 HD3 PRO A 32 7.753 -7.100 1.186 1.00 60.10 H new ATOM 532 N ASN A 33 5.878 -7.972 -3.492 1.00 21.42 N ATOM 533 CA ASN A 33 5.333 -7.921 -4.849 1.00 44.11 C ATOM 534 C ASN A 33 4.490 -6.676 -5.096 1.00 20.20 C ATOM 535 O ASN A 33 3.972 -6.477 -6.195 1.00 21.34 O ATOM 536 CB ASN A 33 4.530 -9.192 -5.204 1.00 34.02 C ATOM 537 CG ASN A 33 3.290 -9.401 -4.354 1.00 74.23 C ATOM 538 OD1 ASN A 33 2.210 -8.905 -4.682 1.00 12.32 O ATOM 539 ND2 ASN A 33 3.426 -10.150 -3.285 1.00 11.15 N ATOM 0 H ASN A 33 5.219 -8.258 -2.768 1.00 21.42 H new ATOM 0 HA ASN A 33 6.198 -7.871 -5.510 1.00 44.11 H new ATOM 0 HB2 ASN A 33 4.234 -9.141 -6.252 1.00 34.02 H new ATOM 0 HB3 ASN A 33 5.180 -10.060 -5.098 1.00 34.02 H new ATOM 0 HD21 ASN A 33 2.620 -10.341 -2.690 1.00 11.15 H new ATOM 0 HD22 ASN A 33 4.338 -10.541 -3.049 1.00 11.15 H new ATOM 546 N CYS A 34 4.389 -5.815 -4.115 1.00 45.14 N ATOM 547 CA CYS A 34 3.543 -4.634 -4.259 1.00 20.12 C ATOM 548 C CYS A 34 4.352 -3.373 -4.445 1.00 21.13 C ATOM 549 O CYS A 34 3.777 -2.271 -4.485 1.00 65.22 O ATOM 550 CB CYS A 34 2.616 -4.476 -3.065 1.00 62.01 C ATOM 551 SG CYS A 34 1.480 -5.861 -2.805 1.00 73.33 S ATOM 0 H CYS A 34 4.869 -5.897 -3.219 1.00 45.14 H new ATOM 0 HA CYS A 34 2.946 -4.788 -5.158 1.00 20.12 H new ATOM 0 HB2 CYS A 34 3.220 -4.345 -2.167 1.00 62.01 H new ATOM 0 HB3 CYS A 34 2.033 -3.564 -3.192 1.00 62.01 H new ATOM 556 N ALA A 35 5.680 -3.531 -4.572 1.00 15.23 N ATOM 557 CA ALA A 35 6.608 -2.403 -4.719 1.00 71.34 C ATOM 558 C ALA A 35 6.568 -1.544 -3.456 1.00 13.34 C ATOM 559 O ALA A 35 6.170 -2.033 -2.371 1.00 21.34 O ATOM 560 CB ALA A 35 6.276 -1.580 -5.976 1.00 51.10 C ATOM 0 H ALA A 35 6.137 -4.443 -4.575 1.00 15.23 H new ATOM 0 HA ALA A 35 7.621 -2.784 -4.846 1.00 71.34 H new ATOM 0 HB1 ALA A 35 6.977 -0.750 -6.063 1.00 51.10 H new ATOM 0 HB2 ALA A 35 6.354 -2.215 -6.858 1.00 51.10 H new ATOM 0 HB3 ALA A 35 5.261 -1.191 -5.898 1.00 51.10 H new ATOM 566 N LEU A 36 7.007 -0.307 -3.556 1.00 24.21 N ATOM 567 CA LEU A 36 6.960 0.568 -2.409 1.00 2.14 C ATOM 568 C LEU A 36 5.594 0.951 -2.037 1.00 63.14 C ATOM 569 O LEU A 36 4.754 1.283 -2.871 1.00 13.03 O ATOM 570 CB LEU A 36 7.889 1.779 -2.467 1.00 24.24 C ATOM 571 CG LEU A 36 9.363 1.500 -2.210 1.00 1.14 C ATOM 572 CD1 LEU A 36 9.559 0.879 -0.830 1.00 11.42 C ATOM 573 CD2 LEU A 36 9.925 0.611 -3.270 1.00 42.03 C ATOM 0 H LEU A 36 7.393 0.108 -4.404 1.00 24.21 H new ATOM 0 HA LEU A 36 7.362 -0.052 -1.608 1.00 2.14 H new ATOM 0 HB2 LEU A 36 7.793 2.240 -3.450 1.00 24.24 H new ATOM 0 HB3 LEU A 36 7.545 2.511 -1.737 1.00 24.24 H new ATOM 0 HG LEU A 36 9.900 2.448 -2.240 1.00 1.14 H new ATOM 0 HD11 LEU A 36 10.619 0.687 -0.665 1.00 11.42 H new ATOM 0 HD12 LEU A 36 9.191 1.565 -0.067 1.00 11.42 H new ATOM 0 HD13 LEU A 36 9.007 -0.059 -0.771 1.00 11.42 H new ATOM 0 HD21 LEU A 36 10.980 0.424 -3.067 1.00 42.03 H new ATOM 0 HD22 LEU A 36 9.384 -0.335 -3.276 1.00 42.03 H new ATOM 0 HD23 LEU A 36 9.823 1.094 -4.242 1.00 42.03 H new ATOM 585 N GLN A 37 5.390 0.902 -0.794 1.00 62.05 N ATOM 586 CA GLN A 37 4.145 1.158 -0.205 1.00 24.54 C ATOM 587 C GLN A 37 4.341 2.393 0.648 1.00 20.20 C ATOM 588 O GLN A 37 4.756 2.308 1.806 1.00 61.14 O ATOM 589 CB GLN A 37 3.805 -0.040 0.673 1.00 5.41 C ATOM 590 CG GLN A 37 2.358 -0.418 0.748 1.00 60.02 C ATOM 591 CD GLN A 37 1.803 -0.876 -0.600 1.00 12.34 C ATOM 592 OE1 GLN A 37 0.619 -0.747 -0.863 1.00 74.11 O ATOM 593 NE2 GLN A 37 2.664 -1.396 -1.466 1.00 31.21 N ATOM 0 H GLN A 37 6.120 0.671 -0.120 1.00 62.05 H new ATOM 0 HA GLN A 37 3.345 1.312 -0.929 1.00 24.54 H new ATOM 0 HB2 GLN A 37 4.365 -0.901 0.309 1.00 5.41 H new ATOM 0 HB3 GLN A 37 4.158 0.165 1.684 1.00 5.41 H new ATOM 0 HG2 GLN A 37 2.232 -1.216 1.480 1.00 60.02 H new ATOM 0 HG3 GLN A 37 1.781 0.435 1.104 1.00 60.02 H new ATOM 0 HE21 GLN A 37 3.648 -1.489 -1.213 1.00 31.21 H new ATOM 0 HE22 GLN A 37 2.342 -1.702 -2.384 1.00 31.21 H new ATOM 602 N ILE A 38 4.151 3.536 0.070 1.00 72.02 N ATOM 603 CA ILE A 38 4.430 4.743 0.786 1.00 11.10 C ATOM 604 C ILE A 38 3.164 5.279 1.382 1.00 33.04 C ATOM 605 O ILE A 38 2.130 5.291 0.749 1.00 22.13 O ATOM 606 CB ILE A 38 5.146 5.801 -0.099 1.00 21.44 C ATOM 607 CG1 ILE A 38 6.371 5.136 -0.742 1.00 61.21 C ATOM 608 CG2 ILE A 38 5.586 6.995 0.752 1.00 54.13 C ATOM 609 CD1 ILE A 38 7.291 6.064 -1.501 1.00 63.34 C ATOM 0 H ILE A 38 3.809 3.661 -0.883 1.00 72.02 H new ATOM 0 HA ILE A 38 5.125 4.509 1.592 1.00 11.10 H new ATOM 0 HB ILE A 38 4.465 6.165 -0.869 1.00 21.44 H new ATOM 0 HG12 ILE A 38 6.947 4.642 0.040 1.00 61.21 H new ATOM 0 HG13 ILE A 38 6.025 4.358 -1.423 1.00 61.21 H new ATOM 0 HG21 ILE A 38 6.086 7.728 0.119 1.00 54.13 H new ATOM 0 HG22 ILE A 38 4.712 7.452 1.217 1.00 54.13 H new ATOM 0 HG23 ILE A 38 6.273 6.656 1.527 1.00 54.13 H new ATOM 0 HD11 ILE A 38 8.123 5.494 -1.915 1.00 63.34 H new ATOM 0 HD12 ILE A 38 6.739 6.541 -2.311 1.00 63.34 H new ATOM 0 HD13 ILE A 38 7.675 6.828 -0.825 1.00 63.34 H new ATOM 621 N VAL A 39 3.240 5.673 2.601 1.00 44.15 N ATOM 622 CA VAL A 39 2.091 6.146 3.318 1.00 31.51 C ATOM 623 C VAL A 39 2.284 7.587 3.699 1.00 0.44 C ATOM 624 O VAL A 39 3.362 7.972 4.127 1.00 23.21 O ATOM 625 CB VAL A 39 1.869 5.307 4.605 1.00 73.02 C ATOM 626 CG1 VAL A 39 0.681 5.824 5.407 1.00 55.54 C ATOM 627 CG2 VAL A 39 1.685 3.837 4.250 1.00 72.11 C ATOM 0 H VAL A 39 4.104 5.680 3.142 1.00 44.15 H new ATOM 0 HA VAL A 39 1.219 6.048 2.672 1.00 31.51 H new ATOM 0 HB VAL A 39 2.755 5.407 5.232 1.00 73.02 H new ATOM 0 HG11 VAL A 39 0.553 5.215 6.302 1.00 55.54 H new ATOM 0 HG12 VAL A 39 0.860 6.860 5.696 1.00 55.54 H new ATOM 0 HG13 VAL A 39 -0.221 5.768 4.798 1.00 55.54 H new ATOM 0 HG21 VAL A 39 1.530 3.259 5.161 1.00 72.11 H new ATOM 0 HG22 VAL A 39 0.818 3.726 3.598 1.00 72.11 H new ATOM 0 HG23 VAL A 39 2.575 3.473 3.736 1.00 72.11 H new ATOM 637 N ALA A 40 1.271 8.376 3.530 1.00 23.04 N ATOM 638 CA ALA A 40 1.337 9.739 3.923 1.00 43.20 C ATOM 639 C ALA A 40 0.097 10.158 4.663 1.00 54.31 C ATOM 640 O ALA A 40 -0.930 9.499 4.620 1.00 24.11 O ATOM 641 CB ALA A 40 1.579 10.631 2.748 1.00 70.34 C ATOM 0 H ALA A 40 0.382 8.092 3.118 1.00 23.04 H new ATOM 0 HA ALA A 40 2.183 9.840 4.603 1.00 43.20 H new ATOM 0 HB1 ALA A 40 1.624 11.668 3.081 1.00 70.34 H new ATOM 0 HB2 ALA A 40 2.523 10.361 2.274 1.00 70.34 H new ATOM 0 HB3 ALA A 40 0.767 10.516 2.030 1.00 70.34 H new ATOM 647 N ARG A 41 0.207 11.225 5.357 1.00 55.01 N ATOM 648 CA ARG A 41 -0.886 11.769 6.090 1.00 14.32 C ATOM 649 C ARG A 41 -1.232 13.097 5.449 1.00 10.40 C ATOM 650 O ARG A 41 -0.340 13.854 5.161 1.00 24.32 O ATOM 651 CB ARG A 41 -0.461 11.962 7.536 1.00 4.24 C ATOM 652 CG ARG A 41 -1.586 12.258 8.483 1.00 71.33 C ATOM 653 CD ARG A 41 -2.509 11.093 8.560 1.00 22.32 C ATOM 654 NE ARG A 41 -3.619 11.278 9.490 1.00 0.30 N ATOM 655 CZ ARG A 41 -4.132 10.311 10.263 1.00 11.53 C ATOM 656 NH1 ARG A 41 -3.492 9.147 10.403 1.00 31.44 N ATOM 657 NH2 ARG A 41 -5.264 10.519 10.919 1.00 12.45 N ATOM 0 H ARG A 41 1.071 11.760 5.438 1.00 55.01 H new ATOM 0 HA ARG A 41 -1.754 11.110 6.075 1.00 14.32 H new ATOM 0 HB2 ARG A 41 0.053 11.062 7.873 1.00 4.24 H new ATOM 0 HB3 ARG A 41 0.260 12.778 7.583 1.00 4.24 H new ATOM 0 HG2 ARG A 41 -1.189 12.483 9.473 1.00 71.33 H new ATOM 0 HG3 ARG A 41 -2.130 13.142 8.149 1.00 71.33 H new ATOM 0 HD2 ARG A 41 -2.910 10.893 7.566 1.00 22.32 H new ATOM 0 HD3 ARG A 41 -1.941 10.211 8.858 1.00 22.32 H new ATOM 0 HE ARG A 41 -4.033 12.208 9.556 1.00 0.30 H new ATOM 0 HH11 ARG A 41 -2.607 8.990 9.920 1.00 31.44 H new ATOM 0 HH12 ARG A 41 -3.888 8.415 10.993 1.00 31.44 H new ATOM 0 HH21 ARG A 41 -5.745 11.415 10.836 1.00 12.45 H new ATOM 0 HH22 ARG A 41 -5.655 9.783 11.508 1.00 12.45 H new ATOM 671 N LEU A 42 -2.483 13.361 5.193 1.00 45.40 N ATOM 672 CA LEU A 42 -2.856 14.607 4.530 1.00 32.34 C ATOM 673 C LEU A 42 -3.018 15.782 5.500 1.00 21.13 C ATOM 674 O LEU A 42 -3.358 15.601 6.655 1.00 1.50 O ATOM 675 CB LEU A 42 -4.098 14.420 3.668 1.00 14.41 C ATOM 676 CG LEU A 42 -3.970 13.398 2.536 1.00 25.33 C ATOM 677 CD1 LEU A 42 -5.202 13.403 1.676 1.00 44.42 C ATOM 678 CD2 LEU A 42 -2.733 13.653 1.700 1.00 31.25 C ATOM 0 H LEU A 42 -3.263 12.746 5.425 1.00 45.40 H new ATOM 0 HA LEU A 42 -2.023 14.869 3.878 1.00 32.34 H new ATOM 0 HB2 LEU A 42 -4.924 14.120 4.313 1.00 14.41 H new ATOM 0 HB3 LEU A 42 -4.366 15.384 3.235 1.00 14.41 H new ATOM 0 HG LEU A 42 -3.868 12.411 2.988 1.00 25.33 H new ATOM 0 HD11 LEU A 42 -5.091 12.670 0.877 1.00 44.42 H new ATOM 0 HD12 LEU A 42 -6.071 13.149 2.283 1.00 44.42 H new ATOM 0 HD13 LEU A 42 -5.339 14.394 1.243 1.00 44.42 H new ATOM 0 HD21 LEU A 42 -2.672 12.910 0.905 1.00 31.25 H new ATOM 0 HD22 LEU A 42 -2.789 14.649 1.262 1.00 31.25 H new ATOM 0 HD23 LEU A 42 -1.847 13.583 2.331 1.00 31.25 H new ATOM 690 N LYS A 43 -2.715 16.975 5.017 1.00 63.32 N ATOM 691 CA LYS A 43 -2.820 18.200 5.790 1.00 2.23 C ATOM 692 C LYS A 43 -4.214 18.811 5.755 1.00 63.12 C ATOM 693 O LYS A 43 -4.704 19.287 6.778 1.00 51.24 O ATOM 694 CB LYS A 43 -1.817 19.219 5.265 1.00 31.32 C ATOM 695 CG LYS A 43 -0.386 18.738 5.319 1.00 32.34 C ATOM 696 CD LYS A 43 0.592 19.747 4.755 1.00 63.13 C ATOM 697 CE LYS A 43 0.579 21.036 5.535 1.00 43.02 C ATOM 698 NZ LYS A 43 1.547 22.009 4.991 1.00 11.52 N ATOM 0 H LYS A 43 -2.384 17.121 4.063 1.00 63.32 H new ATOM 0 HA LYS A 43 -2.607 17.939 6.827 1.00 2.23 H new ATOM 0 HB2 LYS A 43 -2.070 19.468 4.234 1.00 31.32 H new ATOM 0 HB3 LYS A 43 -1.906 20.137 5.846 1.00 31.32 H new ATOM 0 HG2 LYS A 43 -0.120 18.519 6.353 1.00 32.34 H new ATOM 0 HG3 LYS A 43 -0.300 17.805 4.763 1.00 32.34 H new ATOM 0 HD2 LYS A 43 1.597 19.325 4.767 1.00 63.13 H new ATOM 0 HD3 LYS A 43 0.344 19.950 3.713 1.00 63.13 H new ATOM 0 HE2 LYS A 43 -0.422 21.466 5.512 1.00 43.02 H new ATOM 0 HE3 LYS A 43 0.815 20.832 6.580 1.00 43.02 H new ATOM 0 HZ1 LYS A 43 1.512 22.884 5.551 1.00 11.52 H new ATOM 0 HZ2 LYS A 43 2.505 21.608 5.036 1.00 11.52 H new ATOM 0 HZ3 LYS A 43 1.307 22.221 4.002 1.00 11.52 H new ATOM 712 N ASN A 44 -4.852 18.790 4.606 1.00 33.40 N ATOM 713 CA ASN A 44 -6.153 19.447 4.461 1.00 21.44 C ATOM 714 C ASN A 44 -7.295 18.653 5.067 1.00 40.05 C ATOM 715 O ASN A 44 -8.138 19.206 5.775 1.00 73.33 O ATOM 716 CB ASN A 44 -6.456 19.799 2.999 1.00 64.42 C ATOM 717 CG ASN A 44 -5.571 20.902 2.427 1.00 62.51 C ATOM 718 OD1 ASN A 44 -4.422 21.090 2.835 1.00 50.05 O ATOM 719 ND2 ASN A 44 -6.095 21.630 1.471 1.00 15.41 N ATOM 0 H ASN A 44 -4.505 18.334 3.762 1.00 33.40 H new ATOM 0 HA ASN A 44 -6.076 20.374 5.029 1.00 21.44 H new ATOM 0 HB2 ASN A 44 -6.341 18.903 2.389 1.00 64.42 H new ATOM 0 HB3 ASN A 44 -7.499 20.107 2.919 1.00 64.42 H new ATOM 0 HD21 ASN A 44 -5.550 22.377 1.042 1.00 15.41 H new ATOM 0 HD22 ASN A 44 -7.048 21.449 1.156 1.00 15.41 H new ATOM 726 N ASN A 45 -7.337 17.364 4.814 1.00 1.43 N ATOM 727 CA ASN A 45 -8.403 16.547 5.397 1.00 34.21 C ATOM 728 C ASN A 45 -7.908 15.776 6.602 1.00 21.11 C ATOM 729 O ASN A 45 -8.699 15.183 7.341 1.00 13.14 O ATOM 730 CB ASN A 45 -9.080 15.616 4.370 1.00 24.14 C ATOM 731 CG ASN A 45 -8.143 14.631 3.701 1.00 4.40 C ATOM 732 OD1 ASN A 45 -7.139 14.219 4.267 1.00 33.14 O ATOM 733 ND2 ASN A 45 -8.476 14.237 2.504 1.00 32.53 N ATOM 0 H ASN A 45 -6.671 16.861 4.227 1.00 1.43 H new ATOM 0 HA ASN A 45 -9.174 17.241 5.732 1.00 34.21 H new ATOM 0 HB2 ASN A 45 -9.874 15.061 4.870 1.00 24.14 H new ATOM 0 HB3 ASN A 45 -9.553 16.227 3.601 1.00 24.14 H new ATOM 0 HD21 ASN A 45 -7.892 13.564 2.008 1.00 32.53 H new ATOM 0 HD22 ASN A 45 -9.320 14.602 2.063 1.00 32.53 H new ATOM 740 N ASN A 46 -6.588 15.794 6.784 1.00 22.21 N ATOM 741 CA ASN A 46 -5.893 15.152 7.917 1.00 10.24 C ATOM 742 C ASN A 46 -6.002 13.634 7.929 1.00 72.15 C ATOM 743 O ASN A 46 -5.729 13.010 8.955 1.00 23.40 O ATOM 744 CB ASN A 46 -6.330 15.742 9.282 1.00 35.11 C ATOM 745 CG ASN A 46 -5.929 17.197 9.462 1.00 21.14 C ATOM 746 OD1 ASN A 46 -4.826 17.497 9.943 1.00 74.12 O ATOM 747 ND2 ASN A 46 -6.811 18.107 9.117 1.00 33.11 N ATOM 0 H ASN A 46 -5.952 16.263 6.139 1.00 22.21 H new ATOM 0 HA ASN A 46 -4.839 15.384 7.762 1.00 10.24 H new ATOM 0 HB2 ASN A 46 -7.412 15.656 9.378 1.00 35.11 H new ATOM 0 HB3 ASN A 46 -5.891 15.149 10.084 1.00 35.11 H new ATOM 0 HD21 ASN A 46 -6.598 19.097 9.242 1.00 33.11 H new ATOM 0 HD22 ASN A 46 -7.709 17.824 8.724 1.00 33.11 H new ATOM 754 N ARG A 47 -6.325 13.012 6.797 1.00 24.31 N ATOM 755 CA ARG A 47 -6.486 11.571 6.810 1.00 71.34 C ATOM 756 C ARG A 47 -5.234 10.880 6.303 1.00 41.55 C ATOM 757 O ARG A 47 -4.446 11.474 5.565 1.00 33.10 O ATOM 758 CB ARG A 47 -7.719 11.127 6.030 1.00 1.12 C ATOM 759 CG ARG A 47 -7.607 11.175 4.530 1.00 1.12 C ATOM 760 CD ARG A 47 -8.919 10.721 3.892 1.00 52.44 C ATOM 761 NE ARG A 47 -8.865 10.634 2.423 1.00 4.31 N ATOM 762 CZ ARG A 47 -9.954 10.517 1.626 1.00 73.44 C ATOM 763 NH1 ARG A 47 -11.175 10.587 2.143 1.00 70.43 N ATOM 764 NH2 ARG A 47 -9.811 10.355 0.323 1.00 14.11 N ATOM 0 H ARG A 47 -6.474 13.466 5.896 1.00 24.31 H new ATOM 0 HA ARG A 47 -6.641 11.271 7.846 1.00 71.34 H new ATOM 0 HB2 ARG A 47 -7.961 10.105 6.323 1.00 1.12 H new ATOM 0 HB3 ARG A 47 -8.559 11.753 6.331 1.00 1.12 H new ATOM 0 HG2 ARG A 47 -7.368 12.188 4.207 1.00 1.12 H new ATOM 0 HG3 ARG A 47 -6.791 10.534 4.198 1.00 1.12 H new ATOM 0 HD2 ARG A 47 -9.190 9.745 4.295 1.00 52.44 H new ATOM 0 HD3 ARG A 47 -9.710 11.414 4.177 1.00 52.44 H new ATOM 0 HE ARG A 47 -7.948 10.664 1.977 1.00 4.31 H new ATOM 0 HH11 ARG A 47 -11.297 10.730 3.146 1.00 70.43 H new ATOM 0 HH12 ARG A 47 -11.991 10.498 1.538 1.00 70.43 H new ATOM 0 HH21 ARG A 47 -8.878 10.318 -0.087 1.00 14.11 H new ATOM 0 HH22 ARG A 47 -10.634 10.267 -0.273 1.00 14.11 H new ATOM 778 N GLN A 48 -5.034 9.653 6.722 1.00 21.22 N ATOM 779 CA GLN A 48 -3.904 8.882 6.324 1.00 3.35 C ATOM 780 C GLN A 48 -4.190 8.205 4.988 1.00 71.43 C ATOM 781 O GLN A 48 -5.181 7.479 4.850 1.00 23.31 O ATOM 782 CB GLN A 48 -3.614 7.865 7.402 1.00 11.01 C ATOM 783 CG GLN A 48 -2.449 6.980 7.123 1.00 43.10 C ATOM 784 CD GLN A 48 -2.088 6.138 8.320 1.00 51.25 C ATOM 785 OE1 GLN A 48 -2.268 6.557 9.462 1.00 10.51 O ATOM 786 NE2 GLN A 48 -1.613 4.956 8.083 1.00 53.13 N ATOM 0 H GLN A 48 -5.666 9.165 7.357 1.00 21.22 H new ATOM 0 HA GLN A 48 -3.030 9.521 6.194 1.00 3.35 H new ATOM 0 HB2 GLN A 48 -3.438 8.390 8.341 1.00 11.01 H new ATOM 0 HB3 GLN A 48 -4.499 7.245 7.545 1.00 11.01 H new ATOM 0 HG2 GLN A 48 -2.679 6.331 6.278 1.00 43.10 H new ATOM 0 HG3 GLN A 48 -1.592 7.588 6.834 1.00 43.10 H new ATOM 0 HE21 GLN A 48 -1.478 4.644 7.121 1.00 53.13 H new ATOM 0 HE22 GLN A 48 -1.374 4.337 8.858 1.00 53.13 H new ATOM 795 N VAL A 49 -3.342 8.439 4.030 1.00 60.33 N ATOM 796 CA VAL A 49 -3.519 7.942 2.680 1.00 12.15 C ATOM 797 C VAL A 49 -2.266 7.203 2.218 1.00 5.43 C ATOM 798 O VAL A 49 -1.180 7.407 2.743 1.00 4.03 O ATOM 799 CB VAL A 49 -3.839 9.126 1.695 1.00 15.35 C ATOM 800 CG1 VAL A 49 -3.922 8.683 0.266 1.00 50.15 C ATOM 801 CG2 VAL A 49 -5.126 9.811 2.060 1.00 42.44 C ATOM 0 H VAL A 49 -2.492 8.988 4.158 1.00 60.33 H new ATOM 0 HA VAL A 49 -4.359 7.248 2.677 1.00 12.15 H new ATOM 0 HB VAL A 49 -3.006 9.822 1.795 1.00 15.35 H new ATOM 0 HG11 VAL A 49 -4.145 9.541 -0.368 1.00 50.15 H new ATOM 0 HG12 VAL A 49 -2.970 8.246 -0.035 1.00 50.15 H new ATOM 0 HG13 VAL A 49 -4.712 7.939 0.161 1.00 50.15 H new ATOM 0 HG21 VAL A 49 -5.317 10.624 1.359 1.00 42.44 H new ATOM 0 HG22 VAL A 49 -5.945 9.094 2.015 1.00 42.44 H new ATOM 0 HG23 VAL A 49 -5.050 10.213 3.070 1.00 42.44 H new ATOM 811 N CYS A 50 -2.433 6.354 1.260 1.00 0.32 N ATOM 812 CA CYS A 50 -1.348 5.631 0.698 1.00 33.44 C ATOM 813 C CYS A 50 -0.968 6.209 -0.649 1.00 14.24 C ATOM 814 O CYS A 50 -1.836 6.575 -1.468 1.00 11.40 O ATOM 815 CB CYS A 50 -1.665 4.157 0.627 1.00 5.44 C ATOM 816 SG CYS A 50 -1.881 3.402 2.278 1.00 34.31 S ATOM 0 H CYS A 50 -3.339 6.142 0.842 1.00 0.32 H new ATOM 0 HA CYS A 50 -0.479 5.734 1.348 1.00 33.44 H new ATOM 0 HB2 CYS A 50 -2.575 4.013 0.044 1.00 5.44 H new ATOM 0 HB3 CYS A 50 -0.863 3.642 0.099 1.00 5.44 H new ATOM 821 N ILE A 51 0.305 6.305 -0.857 1.00 44.42 N ATOM 822 CA ILE A 51 0.883 6.915 -2.007 1.00 2.24 C ATOM 823 C ILE A 51 1.416 5.872 -2.979 1.00 33.11 C ATOM 824 O ILE A 51 2.029 4.873 -2.575 1.00 63.11 O ATOM 825 CB ILE A 51 2.046 7.847 -1.587 1.00 21.30 C ATOM 826 CG1 ILE A 51 1.556 8.983 -0.697 1.00 3.14 C ATOM 827 CG2 ILE A 51 2.745 8.401 -2.782 1.00 74.51 C ATOM 828 CD1 ILE A 51 2.651 9.964 -0.317 1.00 34.21 C ATOM 0 H ILE A 51 0.999 5.945 -0.202 1.00 44.42 H new ATOM 0 HA ILE A 51 0.101 7.490 -2.502 1.00 2.24 H new ATOM 0 HB ILE A 51 2.752 7.245 -1.016 1.00 21.30 H new ATOM 0 HG12 ILE A 51 0.759 9.520 -1.211 1.00 3.14 H new ATOM 0 HG13 ILE A 51 1.123 8.563 0.211 1.00 3.14 H new ATOM 0 HG21 ILE A 51 3.557 9.052 -2.459 1.00 74.51 H new ATOM 0 HG22 ILE A 51 3.150 7.583 -3.378 1.00 74.51 H new ATOM 0 HG23 ILE A 51 2.039 8.973 -3.384 1.00 74.51 H new ATOM 0 HD11 ILE A 51 2.234 10.747 0.317 1.00 34.21 H new ATOM 0 HD12 ILE A 51 3.438 9.439 0.225 1.00 34.21 H new ATOM 0 HD13 ILE A 51 3.068 10.411 -1.219 1.00 34.21 H new ATOM 840 N ASP A 52 1.176 6.117 -4.241 1.00 0.34 N ATOM 841 CA ASP A 52 1.657 5.299 -5.318 1.00 11.33 C ATOM 842 C ASP A 52 3.117 5.601 -5.619 1.00 35.23 C ATOM 843 O ASP A 52 3.503 6.758 -5.784 1.00 24.24 O ATOM 844 CB ASP A 52 0.786 5.490 -6.567 1.00 32.44 C ATOM 845 CG ASP A 52 0.591 6.906 -6.970 1.00 41.01 C ATOM 846 OD1 ASP A 52 0.056 7.678 -6.151 1.00 13.04 O ATOM 847 OD2 ASP A 52 0.890 7.244 -8.132 1.00 62.32 O ATOM 0 H ASP A 52 0.624 6.915 -4.554 1.00 0.34 H new ATOM 0 HA ASP A 52 1.590 4.255 -5.012 1.00 11.33 H new ATOM 0 HB2 ASP A 52 1.239 4.948 -7.397 1.00 32.44 H new ATOM 0 HB3 ASP A 52 -0.190 5.039 -6.387 1.00 32.44 H new ATOM 852 N PRO A 53 3.953 4.556 -5.712 1.00 71.25 N ATOM 853 CA PRO A 53 5.399 4.705 -5.939 1.00 12.43 C ATOM 854 C PRO A 53 5.740 5.196 -7.346 1.00 3.15 C ATOM 855 O PRO A 53 6.900 5.390 -7.672 1.00 62.42 O ATOM 856 CB PRO A 53 5.930 3.284 -5.736 1.00 40.40 C ATOM 857 CG PRO A 53 4.780 2.415 -6.098 1.00 32.32 C ATOM 858 CD PRO A 53 3.566 3.134 -5.592 1.00 43.30 C ATOM 0 HA PRO A 53 5.833 5.450 -5.273 1.00 12.43 H new ATOM 0 HB2 PRO A 53 6.794 3.087 -6.370 1.00 40.40 H new ATOM 0 HB3 PRO A 53 6.246 3.119 -4.706 1.00 40.40 H new ATOM 0 HG2 PRO A 53 4.726 2.263 -7.176 1.00 32.32 H new ATOM 0 HG3 PRO A 53 4.872 1.430 -5.641 1.00 32.32 H new ATOM 0 HD2 PRO A 53 2.682 2.904 -6.187 1.00 43.30 H new ATOM 0 HD3 PRO A 53 3.336 2.863 -4.562 1.00 43.30 H new ATOM 866 N LYS A 54 4.739 5.377 -8.174 1.00 12.22 N ATOM 867 CA LYS A 54 4.971 5.859 -9.515 1.00 35.23 C ATOM 868 C LYS A 54 5.034 7.376 -9.558 1.00 74.31 C ATOM 869 O LYS A 54 5.523 7.948 -10.542 1.00 41.34 O ATOM 870 CB LYS A 54 3.921 5.373 -10.486 1.00 53.22 C ATOM 871 CG LYS A 54 2.579 5.817 -10.190 1.00 42.22 C ATOM 872 CD LYS A 54 1.709 5.427 -11.307 1.00 4.50 C ATOM 873 CE LYS A 54 0.311 5.680 -10.963 1.00 63.42 C ATOM 874 NZ LYS A 54 0.046 7.104 -10.627 1.00 54.50 N ATOM 0 H LYS A 54 3.761 5.199 -7.945 1.00 12.22 H new ATOM 0 HA LYS A 54 5.935 5.453 -9.820 1.00 35.23 H new ATOM 0 HB2 LYS A 54 4.188 5.708 -11.488 1.00 53.22 H new ATOM 0 HB3 LYS A 54 3.935 4.283 -10.500 1.00 53.22 H new ATOM 0 HG2 LYS A 54 2.227 5.370 -9.260 1.00 42.22 H new ATOM 0 HG3 LYS A 54 2.558 6.898 -10.052 1.00 42.22 H new ATOM 0 HD2 LYS A 54 1.979 5.987 -12.202 1.00 4.50 H new ATOM 0 HD3 LYS A 54 1.850 4.371 -11.537 1.00 4.50 H new ATOM 0 HE2 LYS A 54 -0.323 5.385 -11.800 1.00 63.42 H new ATOM 0 HE3 LYS A 54 0.032 5.054 -10.116 1.00 63.42 H new ATOM 0 HZ1 LYS A 54 -0.858 7.398 -11.048 1.00 54.50 H new ATOM 0 HZ2 LYS A 54 -0.001 7.214 -9.594 1.00 54.50 H new ATOM 0 HZ3 LYS A 54 0.812 7.698 -11.004 1.00 54.50 H new ATOM 888 N LEU A 55 4.532 8.024 -8.502 1.00 34.40 N ATOM 889 CA LEU A 55 4.506 9.480 -8.414 1.00 34.22 C ATOM 890 C LEU A 55 5.880 10.096 -8.637 1.00 55.41 C ATOM 891 O LEU A 55 6.864 9.682 -8.044 1.00 61.03 O ATOM 892 CB LEU A 55 3.920 9.915 -7.085 1.00 41.01 C ATOM 893 CG LEU A 55 2.422 9.690 -6.888 1.00 44.41 C ATOM 894 CD1 LEU A 55 1.979 10.231 -5.564 1.00 10.13 C ATOM 895 CD2 LEU A 55 1.616 10.324 -8.005 1.00 5.01 C ATOM 0 H LEU A 55 4.135 7.553 -7.689 1.00 34.40 H new ATOM 0 HA LEU A 55 3.866 9.847 -9.216 1.00 34.22 H new ATOM 0 HB2 LEU A 55 4.450 9.389 -6.291 1.00 41.01 H new ATOM 0 HB3 LEU A 55 4.124 10.978 -6.955 1.00 41.01 H new ATOM 0 HG LEU A 55 2.244 8.615 -6.910 1.00 44.41 H new ATOM 0 HD11 LEU A 55 0.909 10.062 -5.441 1.00 10.13 H new ATOM 0 HD12 LEU A 55 2.520 9.725 -4.765 1.00 10.13 H new ATOM 0 HD13 LEU A 55 2.184 11.301 -5.521 1.00 10.13 H new ATOM 0 HD21 LEU A 55 0.554 10.145 -7.834 1.00 5.01 H new ATOM 0 HD22 LEU A 55 1.805 11.397 -8.026 1.00 5.01 H new ATOM 0 HD23 LEU A 55 1.909 9.886 -8.959 1.00 5.01 H new ATOM 907 N LYS A 56 5.931 11.099 -9.495 1.00 4.52 N ATOM 908 CA LYS A 56 7.190 11.708 -9.897 1.00 60.13 C ATOM 909 C LYS A 56 7.859 12.450 -8.745 1.00 32.34 C ATOM 910 O LYS A 56 9.090 12.441 -8.622 1.00 43.43 O ATOM 911 CB LYS A 56 6.979 12.626 -11.103 1.00 20.03 C ATOM 912 CG LYS A 56 8.246 13.233 -11.671 1.00 71.31 C ATOM 913 CD LYS A 56 7.940 14.094 -12.873 1.00 41.43 C ATOM 914 CE LYS A 56 9.202 14.650 -13.495 1.00 31.53 C ATOM 915 NZ LYS A 56 8.900 15.497 -14.666 1.00 32.12 N ATOM 0 H LYS A 56 5.108 11.514 -9.931 1.00 4.52 H new ATOM 0 HA LYS A 56 7.868 10.906 -10.190 1.00 60.13 H new ATOM 0 HB2 LYS A 56 6.480 12.060 -11.890 1.00 20.03 H new ATOM 0 HB3 LYS A 56 6.305 13.432 -10.814 1.00 20.03 H new ATOM 0 HG2 LYS A 56 8.741 13.832 -10.907 1.00 71.31 H new ATOM 0 HG3 LYS A 56 8.939 12.440 -11.954 1.00 71.31 H new ATOM 0 HD2 LYS A 56 7.397 13.507 -13.613 1.00 41.43 H new ATOM 0 HD3 LYS A 56 7.287 14.915 -12.577 1.00 41.43 H new ATOM 0 HE2 LYS A 56 9.748 15.234 -12.754 1.00 31.53 H new ATOM 0 HE3 LYS A 56 9.853 13.829 -13.796 1.00 31.53 H new ATOM 0 HZ1 LYS A 56 9.787 15.862 -15.068 1.00 32.12 H new ATOM 0 HZ2 LYS A 56 8.401 14.933 -15.383 1.00 32.12 H new ATOM 0 HZ3 LYS A 56 8.299 16.294 -14.373 1.00 32.12 H new ATOM 929 N TRP A 57 7.061 13.067 -7.878 1.00 51.31 N ATOM 930 CA TRP A 57 7.635 13.778 -6.739 1.00 21.21 C ATOM 931 C TRP A 57 8.184 12.779 -5.720 1.00 3.33 C ATOM 932 O TRP A 57 9.005 13.119 -4.866 1.00 2.13 O ATOM 933 CB TRP A 57 6.628 14.751 -6.077 1.00 21.15 C ATOM 934 CG TRP A 57 5.454 14.126 -5.370 1.00 32.22 C ATOM 935 CD1 TRP A 57 4.231 13.816 -5.886 1.00 1.40 C ATOM 936 CD2 TRP A 57 5.399 13.770 -3.990 1.00 4.14 C ATOM 937 NE1 TRP A 57 3.430 13.297 -4.903 1.00 20.03 N ATOM 938 CE2 TRP A 57 4.122 13.252 -3.741 1.00 61.21 C ATOM 939 CE3 TRP A 57 6.312 13.837 -2.944 1.00 21.13 C ATOM 940 CZ2 TRP A 57 3.731 12.806 -2.491 1.00 5.14 C ATOM 941 CZ3 TRP A 57 5.930 13.396 -1.705 1.00 72.20 C ATOM 942 CH2 TRP A 57 4.645 12.885 -1.482 1.00 54.42 C ATOM 0 H TRP A 57 6.043 13.091 -7.937 1.00 51.31 H new ATOM 0 HA TRP A 57 8.454 14.391 -7.115 1.00 21.21 H new ATOM 0 HB2 TRP A 57 7.170 15.366 -5.359 1.00 21.15 H new ATOM 0 HB3 TRP A 57 6.245 15.421 -6.847 1.00 21.15 H new ATOM 0 HD1 TRP A 57 3.937 13.958 -6.916 1.00 1.40 H new ATOM 0 HE1 TRP A 57 2.464 12.993 -5.027 1.00 20.03 H new ATOM 0 HE3 TRP A 57 7.305 14.230 -3.106 1.00 21.13 H new ATOM 0 HZ2 TRP A 57 2.740 12.411 -2.321 1.00 5.14 H new ATOM 0 HZ3 TRP A 57 6.632 13.443 -0.885 1.00 72.20 H new ATOM 0 HH2 TRP A 57 4.373 12.547 -0.493 1.00 54.42 H new ATOM 953 N ILE A 58 7.734 11.547 -5.842 1.00 25.41 N ATOM 954 CA ILE A 58 8.149 10.475 -4.983 1.00 14.14 C ATOM 955 C ILE A 58 9.600 10.071 -5.236 1.00 34.20 C ATOM 956 O ILE A 58 10.326 9.793 -4.299 1.00 14.15 O ATOM 957 CB ILE A 58 7.154 9.282 -5.071 1.00 54.31 C ATOM 958 CG1 ILE A 58 5.866 9.604 -4.311 1.00 72.22 C ATOM 959 CG2 ILE A 58 7.737 7.965 -4.630 1.00 4.31 C ATOM 960 CD1 ILE A 58 6.072 9.814 -2.821 1.00 62.41 C ATOM 0 H ILE A 58 7.060 11.266 -6.554 1.00 25.41 H new ATOM 0 HA ILE A 58 8.122 10.832 -3.953 1.00 14.14 H new ATOM 0 HB ILE A 58 6.923 9.153 -6.129 1.00 54.31 H new ATOM 0 HG12 ILE A 58 5.418 10.502 -4.737 1.00 72.22 H new ATOM 0 HG13 ILE A 58 5.154 8.792 -4.459 1.00 72.22 H new ATOM 0 HG21 ILE A 58 6.982 7.184 -4.721 1.00 4.31 H new ATOM 0 HG22 ILE A 58 8.593 7.717 -5.258 1.00 4.31 H new ATOM 0 HG23 ILE A 58 8.059 8.039 -3.591 1.00 4.31 H new ATOM 0 HD11 ILE A 58 5.115 10.038 -2.349 1.00 62.41 H new ATOM 0 HD12 ILE A 58 6.491 8.909 -2.380 1.00 62.41 H new ATOM 0 HD13 ILE A 58 6.758 10.646 -2.662 1.00 62.41 H new ATOM 972 N GLN A 59 10.031 10.094 -6.489 1.00 22.50 N ATOM 973 CA GLN A 59 11.436 9.798 -6.808 1.00 55.34 C ATOM 974 C GLN A 59 12.376 10.813 -6.164 1.00 45.34 C ATOM 975 O GLN A 59 13.474 10.456 -5.698 1.00 2.42 O ATOM 976 CB GLN A 59 11.691 9.692 -8.317 1.00 43.43 C ATOM 977 CG GLN A 59 11.213 8.390 -8.957 1.00 65.22 C ATOM 978 CD GLN A 59 9.735 8.140 -8.825 1.00 42.30 C ATOM 979 OE1 GLN A 59 9.290 7.531 -7.867 1.00 15.53 O ATOM 980 NE2 GLN A 59 8.970 8.591 -9.782 1.00 13.13 N ATOM 0 H GLN A 59 9.445 10.310 -7.296 1.00 22.50 H new ATOM 0 HA GLN A 59 11.649 8.817 -6.384 1.00 55.34 H new ATOM 0 HB2 GLN A 59 11.198 10.527 -8.814 1.00 43.43 H new ATOM 0 HB3 GLN A 59 12.760 9.799 -8.499 1.00 43.43 H new ATOM 0 HG2 GLN A 59 11.474 8.402 -10.015 1.00 65.22 H new ATOM 0 HG3 GLN A 59 11.752 7.557 -8.505 1.00 65.22 H new ATOM 0 HE21 GLN A 59 9.380 9.096 -10.567 1.00 13.13 H new ATOM 0 HE22 GLN A 59 7.962 8.438 -9.744 1.00 13.13 H new ATOM 989 N GLU A 60 11.917 12.067 -6.110 1.00 42.12 N ATOM 990 CA GLU A 60 12.655 13.155 -5.462 1.00 3.01 C ATOM 991 C GLU A 60 12.722 12.886 -3.960 1.00 71.33 C ATOM 992 O GLU A 60 13.725 13.139 -3.301 1.00 23.22 O ATOM 993 CB GLU A 60 11.927 14.488 -5.690 1.00 41.03 C ATOM 994 CG GLU A 60 11.771 14.902 -7.144 1.00 3.01 C ATOM 995 CD GLU A 60 13.092 15.153 -7.820 1.00 14.02 C ATOM 996 OE1 GLU A 60 13.691 16.235 -7.600 1.00 1.12 O ATOM 997 OE2 GLU A 60 13.558 14.291 -8.577 1.00 20.31 O ATOM 0 H GLU A 60 11.026 12.356 -6.513 1.00 42.12 H new ATOM 0 HA GLU A 60 13.658 13.209 -5.884 1.00 3.01 H new ATOM 0 HB2 GLU A 60 10.937 14.424 -5.239 1.00 41.03 H new ATOM 0 HB3 GLU A 60 12.468 15.273 -5.162 1.00 41.03 H new ATOM 0 HG2 GLU A 60 11.233 14.123 -7.684 1.00 3.01 H new ATOM 0 HG3 GLU A 60 11.163 15.805 -7.197 1.00 3.01 H new ATOM 1004 N TYR A 61 11.633 12.369 -3.448 1.00 34.42 N ATOM 1005 CA TYR A 61 11.505 12.028 -2.054 1.00 34.42 C ATOM 1006 C TYR A 61 12.379 10.825 -1.682 1.00 63.33 C ATOM 1007 O TYR A 61 13.050 10.837 -0.659 1.00 62.51 O ATOM 1008 CB TYR A 61 10.018 11.779 -1.722 1.00 4.32 C ATOM 1009 CG TYR A 61 9.761 11.151 -0.377 1.00 73.01 C ATOM 1010 CD1 TYR A 61 10.001 11.838 0.806 1.00 42.21 C ATOM 1011 CD2 TYR A 61 9.290 9.846 -0.297 1.00 4.12 C ATOM 1012 CE1 TYR A 61 9.776 11.240 2.031 1.00 51.30 C ATOM 1013 CE2 TYR A 61 9.063 9.244 0.911 1.00 73.40 C ATOM 1014 CZ TYR A 61 9.309 9.945 2.081 1.00 64.20 C ATOM 1015 OH TYR A 61 9.087 9.347 3.302 1.00 32.23 O ATOM 0 H TYR A 61 10.797 12.170 -3.998 1.00 34.42 H new ATOM 0 HA TYR A 61 11.863 12.864 -1.453 1.00 34.42 H new ATOM 0 HB2 TYR A 61 9.487 12.730 -1.769 1.00 4.32 H new ATOM 0 HB3 TYR A 61 9.592 11.137 -2.493 1.00 4.32 H new ATOM 0 HD1 TYR A 61 10.368 12.853 0.768 1.00 42.21 H new ATOM 0 HD2 TYR A 61 9.099 9.296 -1.206 1.00 4.12 H new ATOM 0 HE1 TYR A 61 9.965 11.785 2.944 1.00 51.30 H new ATOM 0 HE2 TYR A 61 8.695 8.230 0.952 1.00 73.40 H new ATOM 0 HH TYR A 61 8.361 8.694 3.219 1.00 32.23 H new ATOM 1025 N LEU A 62 12.385 9.812 -2.526 1.00 22.00 N ATOM 1026 CA LEU A 62 13.136 8.579 -2.275 1.00 12.33 C ATOM 1027 C LEU A 62 14.614 8.827 -2.141 1.00 62.13 C ATOM 1028 O LEU A 62 15.257 8.322 -1.209 1.00 30.20 O ATOM 1029 CB LEU A 62 12.880 7.548 -3.363 1.00 64.10 C ATOM 1030 CG LEU A 62 11.445 7.087 -3.508 1.00 73.32 C ATOM 1031 CD1 LEU A 62 11.334 6.057 -4.595 1.00 34.31 C ATOM 1032 CD2 LEU A 62 10.922 6.545 -2.197 1.00 2.24 C ATOM 0 H LEU A 62 11.872 9.812 -3.408 1.00 22.00 H new ATOM 0 HA LEU A 62 12.776 8.187 -1.323 1.00 12.33 H new ATOM 0 HB2 LEU A 62 13.206 7.964 -4.316 1.00 64.10 H new ATOM 0 HB3 LEU A 62 13.504 6.676 -3.166 1.00 64.10 H new ATOM 0 HG LEU A 62 10.833 7.945 -3.785 1.00 73.32 H new ATOM 0 HD11 LEU A 62 10.297 5.736 -4.687 1.00 34.31 H new ATOM 0 HD12 LEU A 62 11.666 6.488 -5.540 1.00 34.31 H new ATOM 0 HD13 LEU A 62 11.959 5.199 -4.348 1.00 34.31 H new ATOM 0 HD21 LEU A 62 9.889 6.220 -2.324 1.00 2.24 H new ATOM 0 HD22 LEU A 62 11.533 5.699 -1.883 1.00 2.24 H new ATOM 0 HD23 LEU A 62 10.966 7.325 -1.437 1.00 2.24 H new ATOM 1044 N GLU A 63 15.154 9.622 -3.035 1.00 72.34 N ATOM 1045 CA GLU A 63 16.585 9.922 -3.008 1.00 61.12 C ATOM 1046 C GLU A 63 16.982 10.763 -1.788 1.00 31.34 C ATOM 1047 O GLU A 63 18.164 10.967 -1.530 1.00 61.23 O ATOM 1048 CB GLU A 63 17.073 10.580 -4.304 1.00 41.20 C ATOM 1049 CG GLU A 63 16.423 11.910 -4.634 1.00 53.45 C ATOM 1050 CD GLU A 63 17.022 12.542 -5.859 1.00 14.53 C ATOM 1051 OE1 GLU A 63 18.057 13.234 -5.729 1.00 51.43 O ATOM 1052 OE2 GLU A 63 16.488 12.351 -6.975 1.00 5.21 O ATOM 0 H GLU A 63 14.637 10.075 -3.789 1.00 72.34 H new ATOM 0 HA GLU A 63 17.086 8.958 -2.923 1.00 61.12 H new ATOM 0 HB2 GLU A 63 18.151 10.727 -4.235 1.00 41.20 H new ATOM 0 HB3 GLU A 63 16.897 9.892 -5.131 1.00 41.20 H new ATOM 0 HG2 GLU A 63 15.354 11.763 -4.788 1.00 53.45 H new ATOM 0 HG3 GLU A 63 16.532 12.587 -3.787 1.00 53.45 H new ATOM 1059 N LYS A 64 16.001 11.257 -1.053 1.00 0.35 N ATOM 1060 CA LYS A 64 16.278 12.023 0.146 1.00 61.30 C ATOM 1061 C LYS A 64 15.811 11.304 1.402 1.00 65.03 C ATOM 1062 O LYS A 64 16.177 11.683 2.517 1.00 15.42 O ATOM 1063 CB LYS A 64 15.654 13.402 0.073 1.00 44.12 C ATOM 1064 CG LYS A 64 16.192 14.283 -1.059 1.00 31.31 C ATOM 1065 CD LYS A 64 17.719 14.487 -0.975 1.00 33.52 C ATOM 1066 CE LYS A 64 18.142 15.138 0.333 1.00 32.11 C ATOM 1067 NZ LYS A 64 19.600 15.394 0.386 1.00 10.22 N ATOM 0 H LYS A 64 15.010 11.141 -1.265 1.00 0.35 H new ATOM 0 HA LYS A 64 17.361 12.132 0.205 1.00 61.30 H new ATOM 0 HB2 LYS A 64 14.576 13.293 -0.049 1.00 44.12 H new ATOM 0 HB3 LYS A 64 15.818 13.912 1.022 1.00 44.12 H new ATOM 0 HG2 LYS A 64 15.942 13.830 -2.018 1.00 31.31 H new ATOM 0 HG3 LYS A 64 15.697 15.253 -1.026 1.00 31.31 H new ATOM 0 HD2 LYS A 64 18.218 13.524 -1.077 1.00 33.52 H new ATOM 0 HD3 LYS A 64 18.047 15.106 -1.810 1.00 33.52 H new ATOM 0 HE2 LYS A 64 17.605 16.078 0.459 1.00 32.11 H new ATOM 0 HE3 LYS A 64 17.858 14.495 1.166 1.00 32.11 H new ATOM 0 HZ1 LYS A 64 19.890 15.545 1.373 1.00 10.22 H new ATOM 0 HZ2 LYS A 64 20.110 14.576 -0.003 1.00 10.22 H new ATOM 0 HZ3 LYS A 64 19.824 16.241 -0.174 1.00 10.22 H new ATOM 1081 N ALA A 65 15.006 10.280 1.232 1.00 30.01 N ATOM 1082 CA ALA A 65 14.518 9.516 2.362 1.00 50.45 C ATOM 1083 C ALA A 65 15.357 8.271 2.566 1.00 22.13 C ATOM 1084 O ALA A 65 15.767 7.965 3.689 1.00 1.21 O ATOM 1085 CB ALA A 65 13.051 9.165 2.194 1.00 22.11 C ATOM 0 H ALA A 65 14.674 9.956 0.324 1.00 30.01 H new ATOM 0 HA ALA A 65 14.608 10.136 3.254 1.00 50.45 H new ATOM 0 HB1 ALA A 65 12.713 8.592 3.057 1.00 22.11 H new ATOM 0 HB2 ALA A 65 12.465 10.080 2.114 1.00 22.11 H new ATOM 0 HB3 ALA A 65 12.920 8.570 1.290 1.00 22.11 H new ATOM 1091 N LEU A 66 15.633 7.573 1.490 1.00 0.43 N ATOM 1092 CA LEU A 66 16.458 6.367 1.568 1.00 63.43 C ATOM 1093 C LEU A 66 17.899 6.785 1.539 1.00 15.34 C ATOM 1094 O LEU A 66 18.696 6.419 2.407 1.00 72.42 O ATOM 1095 CB LEU A 66 16.163 5.360 0.425 1.00 22.23 C ATOM 1096 CG LEU A 66 14.785 4.654 0.415 1.00 1.25 C ATOM 1097 CD1 LEU A 66 13.633 5.621 0.213 1.00 0.42 C ATOM 1098 CD2 LEU A 66 14.757 3.572 -0.643 1.00 12.15 C ATOM 0 H LEU A 66 15.307 7.808 0.553 1.00 0.43 H new ATOM 0 HA LEU A 66 16.221 5.847 2.496 1.00 63.43 H new ATOM 0 HB2 LEU A 66 16.274 5.888 -0.522 1.00 22.23 H new ATOM 0 HB3 LEU A 66 16.933 4.589 0.453 1.00 22.23 H new ATOM 0 HG LEU A 66 14.651 4.203 1.398 1.00 1.25 H new ATOM 0 HD11 LEU A 66 12.692 5.071 0.215 1.00 0.42 H new ATOM 0 HD12 LEU A 66 13.627 6.353 1.020 1.00 0.42 H new ATOM 0 HD13 LEU A 66 13.752 6.134 -0.741 1.00 0.42 H new ATOM 0 HD21 LEU A 66 13.782 3.084 -0.639 1.00 12.15 H new ATOM 0 HD22 LEU A 66 14.936 4.016 -1.622 1.00 12.15 H new ATOM 0 HD23 LEU A 66 15.532 2.836 -0.431 1.00 12.15 H new ATOM 1110 N ASN A 67 18.222 7.579 0.557 1.00 62.15 N ATOM 1111 CA ASN A 67 19.531 8.156 0.463 1.00 23.41 C ATOM 1112 C ASN A 67 19.429 9.544 1.030 1.00 33.12 C ATOM 1113 O ASN A 67 18.373 9.912 1.528 1.00 62.44 O ATOM 1114 CB ASN A 67 20.051 8.184 -0.990 1.00 40.24 C ATOM 1115 CG ASN A 67 20.156 6.799 -1.611 1.00 4.10 C ATOM 1116 OD1 ASN A 67 21.164 6.111 -1.459 1.00 54.32 O ATOM 1117 ND2 ASN A 67 19.142 6.396 -2.342 1.00 61.33 N ATOM 0 H ASN A 67 17.588 7.843 -0.197 1.00 62.15 H new ATOM 0 HA ASN A 67 20.250 7.554 1.019 1.00 23.41 H new ATOM 0 HB2 ASN A 67 19.385 8.798 -1.596 1.00 40.24 H new ATOM 0 HB3 ASN A 67 21.031 8.660 -1.010 1.00 40.24 H new ATOM 0 HD21 ASN A 67 19.176 5.487 -2.804 1.00 61.33 H new ATOM 0 HD22 ASN A 67 18.321 6.992 -2.447 1.00 61.33 H new ATOM 1124 N LYS A 68 20.480 10.295 0.997 1.00 24.42 N ATOM 1125 CA LYS A 68 20.460 11.638 1.523 1.00 51.51 C ATOM 1126 C LYS A 68 21.630 12.416 0.991 1.00 44.25 C ATOM 1127 O LYS A 68 21.410 13.426 0.300 1.00 36.08 O ATOM 1128 CB LYS A 68 20.350 11.714 3.090 1.00 1.04 C ATOM 1129 CG LYS A 68 21.510 11.140 3.915 1.00 13.23 C ATOM 1130 CD LYS A 68 21.634 9.635 3.791 1.00 15.33 C ATOM 1131 CE LYS A 68 20.420 8.902 4.342 1.00 23.32 C ATOM 1132 NZ LYS A 68 20.585 7.432 4.269 1.00 41.41 N ATOM 1133 OXT LYS A 68 22.780 11.972 1.173 1.00 36.08 O ATOM 0 H LYS A 68 21.378 10.005 0.608 1.00 24.42 H new ATOM 0 HA LYS A 68 19.540 12.103 1.169 1.00 51.51 H new ATOM 0 HB2 LYS A 68 20.227 12.761 3.367 1.00 1.04 H new ATOM 0 HB3 LYS A 68 19.438 11.196 3.388 1.00 1.04 H new ATOM 0 HG2 LYS A 68 22.442 11.604 3.593 1.00 13.23 H new ATOM 0 HG3 LYS A 68 21.368 11.403 4.963 1.00 13.23 H new ATOM 0 HD2 LYS A 68 21.769 9.370 2.742 1.00 15.33 H new ATOM 0 HD3 LYS A 68 22.526 9.302 4.321 1.00 15.33 H new ATOM 0 HE2 LYS A 68 20.256 9.198 5.378 1.00 23.32 H new ATOM 0 HE3 LYS A 68 19.533 9.196 3.782 1.00 23.32 H new ATOM 0 HZ1 LYS A 68 19.905 7.040 3.587 1.00 41.41 H new ATOM 0 HZ2 LYS A 68 21.553 7.206 3.962 1.00 41.41 H new ATOM 0 HZ3 LYS A 68 20.413 7.016 5.207 1.00 41.41 H new TER 1147 LYS A 68