USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 548 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 Single : A 1 LYS N :NH3+ -154:sc= -0.0329 (180deg=-0.229) USER MOD Single : A 1 LYS NZ :NH3+ -150:sc= -0.985 (180deg=-1.64) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -2.75! K(o=-2.7!,f=-1.8) USER MOD Single : B 21 LYS NZ :NH3+ -161:sc= -0.0978 (180deg=-0.8) USER MOD Single : B 25 THR OG1 : rot 180:sc= -0.184 USER MOD Single : B 27 HIS : no HE2:sc= -14.2! C(o=-14!,f=-16!) USER MOD Single : B 30 LYS NZ :NH3+ 158:sc= -0.0403 (180deg=-0.486) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot -43:sc= 0.8 USER MOD Single : B 48 ASN : amide:sc= -4.68! K(o=-4.7!,f=-1.6) USER MOD Single : B 49 ASN : amide:sc= -6.64! C(o=-6.6!,f=-7.6!) USER MOD Single : B 52 TYR OH : rot 168:sc= -0.121 USER MOD Single : B 53 LYS NZ :NH3+ -158:sc= -1.15 (180deg=-1.83) USER MOD Single : B 56 THR OG1 : rot 60:sc= 0.0884 USER MOD Single : B 57 SER OG : rot 180:sc=-0.00477 USER MOD Single : B 58 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -0.423 X(o=-0.42,f=-0.28) USER MOD Single : B 63 THR OG1 : rot 26:sc= 0.0291 USER MOD Single : B 64 TYR OH : rot 180:sc=-0.00304 USER MOD Single : B 67 THR OG1 : rot -58:sc= 0.807 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -22.448 7.211 -5.851 1.00 2.15 N ATOM 2 CA LYS A 1 -23.109 8.540 -5.722 1.00 1.76 C ATOM 3 C LYS A 1 -22.559 9.489 -6.789 1.00 1.63 C ATOM 4 O LYS A 1 -23.231 10.400 -7.230 1.00 2.04 O ATOM 5 CB LYS A 1 -22.827 9.118 -4.331 1.00 1.75 C ATOM 6 CG LYS A 1 -23.873 10.185 -3.994 1.00 2.17 C ATOM 7 CD LYS A 1 -23.356 11.075 -2.861 1.00 2.49 C ATOM 8 CE LYS A 1 -22.899 10.203 -1.690 1.00 2.64 C ATOM 9 NZ LYS A 1 -23.927 9.161 -1.414 1.00 3.17 N ATOM 0 H1 LYS A 1 -23.076 6.473 -5.474 1.00 2.15 H new ATOM 0 H2 LYS A 1 -22.249 7.018 -6.853 1.00 2.15 H new ATOM 0 H3 LYS A 1 -21.556 7.213 -5.316 1.00 2.15 H new ATOM 0 HA LYS A 1 -24.185 8.425 -5.857 1.00 1.76 H new ATOM 0 HB2 LYS A 1 -22.850 8.324 -3.585 1.00 1.75 H new ATOM 0 HB3 LYS A 1 -21.828 9.553 -4.303 1.00 1.75 H new ATOM 0 HG2 LYS A 1 -24.087 10.789 -4.875 1.00 2.17 H new ATOM 0 HG3 LYS A 1 -24.809 9.710 -3.698 1.00 2.17 H new ATOM 0 HD2 LYS A 1 -22.527 11.688 -3.216 1.00 2.49 H new ATOM 0 HD3 LYS A 1 -24.141 11.758 -2.535 1.00 2.49 H new ATOM 0 HE2 LYS A 1 -21.944 9.733 -1.924 1.00 2.64 H new ATOM 0 HE3 LYS A 1 -22.743 10.818 -0.804 1.00 2.64 H new ATOM 0 HZ1 LYS A 1 -23.913 8.919 -0.403 1.00 3.17 H new ATOM 0 HZ2 LYS A 1 -24.867 9.524 -1.670 1.00 3.17 H new ATOM 0 HZ3 LYS A 1 -23.719 8.311 -1.976 1.00 3.17 H new ATOM 25 N VAL A 2 -21.340 9.281 -7.206 1.00 1.49 N ATOM 26 CA VAL A 2 -20.746 10.171 -8.242 1.00 1.39 C ATOM 27 C VAL A 2 -19.644 9.413 -8.988 1.00 1.20 C ATOM 28 O VAL A 2 -19.914 8.602 -9.852 1.00 1.22 O ATOM 29 CB VAL A 2 -20.163 11.419 -7.563 1.00 1.53 C ATOM 30 CG1 VAL A 2 -19.320 11.009 -6.343 1.00 1.92 C ATOM 31 CG2 VAL A 2 -19.298 12.210 -8.565 1.00 1.49 C ATOM 0 H VAL A 2 -20.730 8.534 -6.874 1.00 1.49 H new ATOM 0 HA VAL A 2 -21.512 10.477 -8.954 1.00 1.39 H new ATOM 0 HB VAL A 2 -20.982 12.055 -7.227 1.00 1.53 H new ATOM 0 HG11 VAL A 2 -18.910 11.900 -5.868 1.00 1.92 H new ATOM 0 HG12 VAL A 2 -19.947 10.474 -5.631 1.00 1.92 H new ATOM 0 HG13 VAL A 2 -18.504 10.362 -6.665 1.00 1.92 H new ATOM 0 HG21 VAL A 2 -18.889 13.093 -8.075 1.00 1.49 H new ATOM 0 HG22 VAL A 2 -18.482 11.580 -8.918 1.00 1.49 H new ATOM 0 HG23 VAL A 2 -19.911 12.517 -9.412 1.00 1.49 H new ATOM 41 N GLY A 3 -18.408 9.666 -8.664 1.00 1.24 N ATOM 42 CA GLY A 3 -17.299 8.953 -9.356 1.00 1.22 C ATOM 43 C GLY A 3 -17.336 7.474 -8.975 1.00 1.06 C ATOM 44 O GLY A 3 -16.998 6.610 -9.760 1.00 0.98 O ATOM 0 H GLY A 3 -18.117 10.335 -7.951 1.00 1.24 H new ATOM 0 HA2 GLY A 3 -17.397 9.065 -10.436 1.00 1.22 H new ATOM 0 HA3 GLY A 3 -16.340 9.389 -9.076 1.00 1.22 H new ATOM 48 N PHE A 4 -17.749 7.174 -7.773 1.00 1.12 N ATOM 49 CA PHE A 4 -17.809 5.749 -7.340 1.00 1.10 C ATOM 50 C PHE A 4 -18.479 4.914 -8.432 1.00 0.89 C ATOM 51 O PHE A 4 -17.882 4.020 -8.999 1.00 0.95 O ATOM 52 CB PHE A 4 -18.621 5.640 -6.048 1.00 1.27 C ATOM 53 CG PHE A 4 -17.793 6.133 -4.884 1.00 1.54 C ATOM 54 CD1 PHE A 4 -17.828 7.485 -4.523 1.00 1.96 C ATOM 55 CD2 PHE A 4 -16.990 5.238 -4.167 1.00 2.03 C ATOM 56 CE1 PHE A 4 -17.062 7.943 -3.446 1.00 2.22 C ATOM 57 CE2 PHE A 4 -16.223 5.695 -3.088 1.00 2.44 C ATOM 58 CZ PHE A 4 -16.259 7.048 -2.727 1.00 2.32 C ATOM 0 H PHE A 4 -18.047 7.854 -7.073 1.00 1.12 H new ATOM 0 HA PHE A 4 -16.798 5.380 -7.166 1.00 1.10 H new ATOM 0 HB2 PHE A 4 -19.535 6.227 -6.131 1.00 1.27 H new ATOM 0 HB3 PHE A 4 -18.921 4.605 -5.881 1.00 1.27 H new ATOM 0 HD1 PHE A 4 -18.447 8.175 -5.077 1.00 1.96 H new ATOM 0 HD2 PHE A 4 -16.962 4.195 -4.446 1.00 2.03 H new ATOM 0 HE1 PHE A 4 -17.090 8.986 -3.169 1.00 2.22 H new ATOM 0 HE2 PHE A 4 -15.604 5.005 -2.534 1.00 2.44 H new ATOM 0 HZ PHE A 4 -15.668 7.401 -1.895 1.00 2.32 H new ATOM 68 N PHE A 5 -19.717 5.199 -8.730 1.00 0.85 N ATOM 69 CA PHE A 5 -20.425 4.424 -9.784 1.00 0.82 C ATOM 70 C PHE A 5 -19.757 4.680 -11.139 1.00 0.65 C ATOM 71 O PHE A 5 -19.693 3.809 -11.984 1.00 0.62 O ATOM 72 CB PHE A 5 -21.903 4.851 -9.821 1.00 1.14 C ATOM 73 CG PHE A 5 -22.144 5.824 -10.953 1.00 1.22 C ATOM 74 CD1 PHE A 5 -22.271 5.349 -12.262 1.00 1.27 C ATOM 75 CD2 PHE A 5 -22.242 7.195 -10.690 1.00 1.42 C ATOM 76 CE1 PHE A 5 -22.497 6.247 -13.313 1.00 1.52 C ATOM 77 CE2 PHE A 5 -22.468 8.094 -11.740 1.00 1.66 C ATOM 78 CZ PHE A 5 -22.596 7.619 -13.052 1.00 1.71 C ATOM 0 H PHE A 5 -20.268 5.935 -8.288 1.00 0.85 H new ATOM 0 HA PHE A 5 -20.371 3.358 -9.563 1.00 0.82 H new ATOM 0 HB2 PHE A 5 -22.538 3.974 -9.946 1.00 1.14 H new ATOM 0 HB3 PHE A 5 -22.179 5.312 -8.872 1.00 1.14 H new ATOM 0 HD1 PHE A 5 -22.195 4.291 -12.463 1.00 1.27 H new ATOM 0 HD2 PHE A 5 -22.143 7.560 -9.678 1.00 1.42 H new ATOM 0 HE1 PHE A 5 -22.595 5.881 -14.324 1.00 1.52 H new ATOM 0 HE2 PHE A 5 -22.544 9.152 -11.539 1.00 1.66 H new ATOM 0 HZ PHE A 5 -22.771 8.311 -13.862 1.00 1.71 H new ATOM 88 N LYS A 6 -19.257 5.869 -11.351 1.00 0.78 N ATOM 89 CA LYS A 6 -18.594 6.182 -12.651 1.00 0.93 C ATOM 90 C LYS A 6 -17.077 6.036 -12.502 1.00 0.96 C ATOM 91 O LYS A 6 -16.320 6.910 -12.875 1.00 1.22 O ATOM 92 CB LYS A 6 -18.931 7.617 -13.063 1.00 1.28 C ATOM 93 CG LYS A 6 -18.184 7.971 -14.361 1.00 1.55 C ATOM 94 CD LYS A 6 -19.116 8.718 -15.318 1.00 1.96 C ATOM 95 CE LYS A 6 -18.417 8.899 -16.665 1.00 2.34 C ATOM 96 NZ LYS A 6 -19.380 9.459 -17.656 1.00 3.07 N ATOM 0 H LYS A 6 -19.279 6.637 -10.680 1.00 0.78 H new ATOM 0 HA LYS A 6 -18.950 5.491 -13.415 1.00 0.93 H new ATOM 0 HB2 LYS A 6 -20.006 7.721 -13.210 1.00 1.28 H new ATOM 0 HB3 LYS A 6 -18.650 8.309 -12.269 1.00 1.28 H new ATOM 0 HG2 LYS A 6 -17.315 8.588 -14.133 1.00 1.55 H new ATOM 0 HG3 LYS A 6 -17.814 7.062 -14.836 1.00 1.55 H new ATOM 0 HD2 LYS A 6 -20.044 8.161 -15.449 1.00 1.96 H new ATOM 0 HD3 LYS A 6 -19.383 9.689 -14.900 1.00 1.96 H new ATOM 0 HE2 LYS A 6 -17.562 9.567 -16.556 1.00 2.34 H new ATOM 0 HE3 LYS A 6 -18.031 7.942 -17.018 1.00 2.34 H new ATOM 0 HZ1 LYS A 6 -18.903 9.582 -18.572 1.00 3.07 H new ATOM 0 HZ2 LYS A 6 -20.182 8.806 -17.768 1.00 3.07 H new ATOM 0 HZ3 LYS A 6 -19.727 10.380 -17.320 1.00 3.07 H new ATOM 110 N ARG A 7 -16.628 4.937 -11.963 1.00 0.86 N ATOM 111 CA ARG A 7 -15.159 4.736 -11.793 1.00 1.10 C ATOM 112 C ARG A 7 -14.837 3.243 -11.743 1.00 1.11 C ATOM 113 O ARG A 7 -13.740 2.829 -12.066 1.00 1.48 O ATOM 114 CB ARG A 7 -14.698 5.400 -10.494 1.00 1.28 C ATOM 115 CG ARG A 7 -13.217 5.090 -10.261 1.00 1.52 C ATOM 116 CD ARG A 7 -12.664 6.013 -9.174 1.00 1.57 C ATOM 117 NE ARG A 7 -11.181 5.880 -9.118 1.00 1.71 N ATOM 118 CZ ARG A 7 -10.471 6.778 -8.493 1.00 1.66 C ATOM 119 NH1 ARG A 7 -11.058 7.791 -7.916 1.00 1.76 N ATOM 120 NH2 ARG A 7 -9.172 6.663 -8.444 1.00 1.99 N ATOM 0 H ARG A 7 -17.213 4.169 -11.633 1.00 0.86 H new ATOM 0 HA ARG A 7 -14.639 5.186 -12.639 1.00 1.10 H new ATOM 0 HB2 ARG A 7 -14.851 6.478 -10.550 1.00 1.28 H new ATOM 0 HB3 ARG A 7 -15.293 5.037 -9.656 1.00 1.28 H new ATOM 0 HG2 ARG A 7 -13.096 4.048 -9.964 1.00 1.52 H new ATOM 0 HG3 ARG A 7 -12.657 5.225 -11.186 1.00 1.52 H new ATOM 0 HD2 ARG A 7 -12.940 7.046 -9.384 1.00 1.57 H new ATOM 0 HD3 ARG A 7 -13.100 5.757 -8.208 1.00 1.57 H new ATOM 0 HE ARG A 7 -10.722 5.088 -9.568 1.00 1.71 H new ATOM 0 HH11 ARG A 7 -12.073 7.881 -7.953 1.00 1.76 H new ATOM 0 HH12 ARG A 7 -10.501 8.492 -7.428 1.00 1.76 H new ATOM 0 HH21 ARG A 7 -8.713 5.871 -8.894 1.00 1.99 H new ATOM 0 HH22 ARG A 7 -8.616 7.365 -7.955 1.00 1.99 H new ATOM 134 N ASN A 8 -15.774 2.429 -11.337 1.00 0.89 N ATOM 135 CA ASN A 8 -15.512 0.961 -11.262 1.00 1.09 C ATOM 136 C ASN A 8 -16.580 0.209 -12.063 1.00 0.91 C ATOM 137 O ASN A 8 -16.429 -0.956 -12.373 1.00 1.09 O ATOM 138 CB ASN A 8 -15.550 0.514 -9.796 1.00 1.40 C ATOM 139 CG ASN A 8 -15.390 1.729 -8.882 1.00 1.56 C ATOM 140 OD1 ASN A 8 -14.302 2.243 -8.715 1.00 2.18 O ATOM 141 ND2 ASN A 8 -16.439 2.211 -8.279 1.00 1.47 N ATOM 0 H ASN A 8 -16.711 2.717 -11.054 1.00 0.89 H new ATOM 0 HA ASN A 8 -14.530 0.741 -11.681 1.00 1.09 H new ATOM 0 HB2 ASN A 8 -16.493 0.009 -9.584 1.00 1.40 H new ATOM 0 HB3 ASN A 8 -14.753 -0.205 -9.604 1.00 1.40 H new ATOM 0 HD21 ASN A 8 -16.348 3.021 -7.666 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -17.352 1.779 -8.420 1.00 1.47 H new ATOM 148 N ARG A 9 -17.662 0.861 -12.393 1.00 0.70 N ATOM 149 CA ARG A 9 -18.738 0.186 -13.161 1.00 0.82 C ATOM 150 C ARG A 9 -18.525 0.327 -14.685 1.00 0.70 C ATOM 151 O ARG A 9 -18.860 -0.579 -15.421 1.00 1.00 O ATOM 152 CB ARG A 9 -20.087 0.801 -12.775 1.00 1.17 C ATOM 153 CG ARG A 9 -20.095 1.163 -11.286 1.00 1.44 C ATOM 154 CD ARG A 9 -20.062 -0.115 -10.444 1.00 1.61 C ATOM 155 NE ARG A 9 -20.077 0.246 -8.999 1.00 2.25 N ATOM 156 CZ ARG A 9 -20.355 -0.660 -8.102 1.00 2.91 C ATOM 157 NH1 ARG A 9 -20.623 -1.883 -8.472 1.00 3.02 N ATOM 158 NH2 ARG A 9 -20.367 -0.345 -6.837 1.00 3.84 N ATOM 0 H ARG A 9 -17.844 1.837 -12.161 1.00 0.70 H new ATOM 0 HA ARG A 9 -18.718 -0.876 -12.918 1.00 0.82 H new ATOM 0 HB2 ARG A 9 -20.274 1.692 -13.375 1.00 1.17 H new ATOM 0 HB3 ARG A 9 -20.891 0.097 -12.990 1.00 1.17 H new ATOM 0 HG2 ARG A 9 -19.234 1.788 -11.049 1.00 1.44 H new ATOM 0 HG3 ARG A 9 -20.986 1.744 -11.048 1.00 1.44 H new ATOM 0 HD2 ARG A 9 -20.920 -0.743 -10.682 1.00 1.61 H new ATOM 0 HD3 ARG A 9 -19.168 -0.694 -10.677 1.00 1.61 H new ATOM 0 HE ARG A 9 -19.870 1.202 -8.710 1.00 2.25 H new ATOM 0 HH11 ARG A 9 -20.615 -2.130 -9.462 1.00 3.02 H new ATOM 0 HH12 ARG A 9 -20.840 -2.592 -7.771 1.00 3.02 H new ATOM 0 HH21 ARG A 9 -20.159 0.611 -6.547 1.00 3.84 H new ATOM 0 HH22 ARG A 9 -20.584 -1.054 -6.137 1.00 3.84 H new ATOM 172 N PRO A 10 -18.000 1.453 -15.132 1.00 0.63 N ATOM 173 CA PRO A 10 -17.787 1.682 -16.577 1.00 0.95 C ATOM 174 C PRO A 10 -16.907 0.593 -17.230 1.00 1.15 C ATOM 175 O PRO A 10 -17.241 0.119 -18.298 1.00 1.49 O ATOM 176 CB PRO A 10 -17.132 3.071 -16.671 1.00 1.10 C ATOM 177 CG PRO A 10 -17.104 3.671 -15.240 1.00 0.99 C ATOM 178 CD PRO A 10 -17.586 2.580 -14.265 1.00 0.69 C ATOM 0 HA PRO A 10 -18.729 1.634 -17.123 1.00 0.95 H new ATOM 0 HB2 PRO A 10 -16.122 2.992 -17.074 1.00 1.10 H new ATOM 0 HB3 PRO A 10 -17.695 3.716 -17.346 1.00 1.10 H new ATOM 0 HG2 PRO A 10 -16.096 3.997 -14.982 1.00 0.99 H new ATOM 0 HG3 PRO A 10 -17.748 4.549 -15.181 1.00 0.99 H new ATOM 0 HD2 PRO A 10 -16.791 2.282 -13.581 1.00 0.69 H new ATOM 0 HD3 PRO A 10 -18.416 2.934 -13.654 1.00 0.69 H new ATOM 186 N PRO A 11 -15.810 0.224 -16.603 1.00 1.18 N ATOM 187 CA PRO A 11 -14.913 -0.799 -17.174 1.00 1.58 C ATOM 188 C PRO A 11 -15.647 -2.141 -17.294 1.00 1.71 C ATOM 189 O PRO A 11 -15.169 -3.065 -17.923 1.00 2.11 O ATOM 190 CB PRO A 11 -13.735 -0.891 -16.189 1.00 1.78 C ATOM 191 CG PRO A 11 -13.989 0.142 -15.060 1.00 1.58 C ATOM 192 CD PRO A 11 -15.372 0.772 -15.307 1.00 1.09 C ATOM 0 HA PRO A 11 -14.574 -0.544 -18.178 1.00 1.58 H new ATOM 0 HB2 PRO A 11 -13.657 -1.897 -15.777 1.00 1.78 H new ATOM 0 HB3 PRO A 11 -12.794 -0.680 -16.697 1.00 1.78 H new ATOM 0 HG2 PRO A 11 -13.958 -0.342 -14.084 1.00 1.58 H new ATOM 0 HG3 PRO A 11 -13.214 0.908 -15.061 1.00 1.58 H new ATOM 0 HD2 PRO A 11 -16.072 0.514 -14.512 1.00 1.09 H new ATOM 0 HD3 PRO A 11 -15.311 1.860 -15.338 1.00 1.09 H new ATOM 200 N LEU A 12 -16.810 -2.250 -16.704 1.00 1.68 N ATOM 201 CA LEU A 12 -17.586 -3.526 -16.788 1.00 2.01 C ATOM 202 C LEU A 12 -19.033 -3.206 -17.174 1.00 2.05 C ATOM 203 O LEU A 12 -19.392 -3.221 -18.336 1.00 2.64 O ATOM 204 CB LEU A 12 -17.563 -4.255 -15.431 1.00 2.29 C ATOM 205 CG LEU A 12 -17.146 -3.288 -14.312 1.00 2.24 C ATOM 206 CD1 LEU A 12 -17.735 -3.763 -12.980 1.00 2.53 C ATOM 207 CD2 LEU A 12 -15.614 -3.246 -14.207 1.00 2.84 C ATOM 0 H LEU A 12 -17.258 -1.508 -16.166 1.00 1.68 H new ATOM 0 HA LEU A 12 -17.134 -4.173 -17.540 1.00 2.01 H new ATOM 0 HB2 LEU A 12 -18.549 -4.668 -15.216 1.00 2.29 H new ATOM 0 HB3 LEU A 12 -16.869 -5.094 -15.473 1.00 2.29 H new ATOM 0 HG LEU A 12 -17.520 -2.290 -14.541 1.00 2.24 H new ATOM 0 HD11 LEU A 12 -17.439 -3.077 -12.186 1.00 2.53 H new ATOM 0 HD12 LEU A 12 -18.822 -3.788 -13.051 1.00 2.53 H new ATOM 0 HD13 LEU A 12 -17.363 -4.762 -12.753 1.00 2.53 H new ATOM 0 HD21 LEU A 12 -15.322 -2.559 -13.412 1.00 2.84 H new ATOM 0 HD22 LEU A 12 -15.237 -4.244 -13.981 1.00 2.84 H new ATOM 0 HD23 LEU A 12 -15.194 -2.905 -15.153 1.00 2.84 H new ATOM 219 N GLU A 13 -19.867 -2.917 -16.209 1.00 1.98 N ATOM 220 CA GLU A 13 -21.293 -2.596 -16.513 1.00 2.24 C ATOM 221 C GLU A 13 -21.550 -1.113 -16.241 1.00 2.17 C ATOM 222 O GLU A 13 -21.206 -0.594 -15.197 1.00 2.50 O ATOM 223 CB GLU A 13 -22.204 -3.440 -15.618 1.00 2.51 C ATOM 224 CG GLU A 13 -21.915 -4.925 -15.852 1.00 2.91 C ATOM 225 CD GLU A 13 -22.989 -5.768 -15.163 1.00 3.26 C ATOM 226 OE1 GLU A 13 -22.926 -5.898 -13.951 1.00 3.78 O ATOM 227 OE2 GLU A 13 -23.856 -6.271 -15.858 1.00 3.51 O ATOM 0 H GLU A 13 -19.620 -2.889 -15.220 1.00 1.98 H new ATOM 0 HA GLU A 13 -21.501 -2.816 -17.560 1.00 2.24 H new ATOM 0 HB2 GLU A 13 -22.039 -3.187 -14.571 1.00 2.51 H new ATOM 0 HB3 GLU A 13 -23.249 -3.223 -15.837 1.00 2.51 H new ATOM 0 HG2 GLU A 13 -21.899 -5.139 -16.921 1.00 2.91 H new ATOM 0 HG3 GLU A 13 -20.930 -5.181 -15.461 1.00 2.91 H new ATOM 234 N GLU A 14 -22.151 -0.425 -17.172 1.00 2.25 N ATOM 235 CA GLU A 14 -22.428 1.025 -16.966 1.00 2.33 C ATOM 236 C GLU A 14 -23.590 1.186 -15.985 1.00 2.33 C ATOM 237 O GLU A 14 -24.302 2.171 -16.006 1.00 2.61 O ATOM 238 CB GLU A 14 -22.795 1.669 -18.303 1.00 2.77 C ATOM 239 CG GLU A 14 -21.806 1.216 -19.378 1.00 3.14 C ATOM 240 CD GLU A 14 -22.127 1.919 -20.698 1.00 3.18 C ATOM 241 OE1 GLU A 14 -23.173 2.544 -20.775 1.00 3.24 O ATOM 242 OE2 GLU A 14 -21.323 1.820 -21.610 1.00 3.69 O ATOM 0 H GLU A 14 -22.462 -0.804 -18.066 1.00 2.25 H new ATOM 0 HA GLU A 14 -21.541 1.511 -16.561 1.00 2.33 H new ATOM 0 HB2 GLU A 14 -23.810 1.389 -18.587 1.00 2.77 H new ATOM 0 HB3 GLU A 14 -22.777 2.755 -18.212 1.00 2.77 H new ATOM 0 HG2 GLU A 14 -20.786 1.447 -19.069 1.00 3.14 H new ATOM 0 HG3 GLU A 14 -21.863 0.135 -19.507 1.00 3.14 H new ATOM 249 N ASP A 15 -23.790 0.226 -15.122 1.00 2.25 N ATOM 250 CA ASP A 15 -24.906 0.326 -14.142 1.00 2.39 C ATOM 251 C ASP A 15 -24.505 1.271 -13.007 1.00 2.23 C ATOM 252 O ASP A 15 -23.423 1.824 -13.000 1.00 2.26 O ATOM 253 CB ASP A 15 -25.207 -1.061 -13.568 1.00 2.61 C ATOM 254 CG ASP A 15 -26.461 -0.992 -12.695 1.00 2.39 C ATOM 255 OD1 ASP A 15 -27.163 0.002 -12.779 1.00 2.45 O ATOM 256 OD2 ASP A 15 -26.699 -1.935 -11.960 1.00 2.97 O ATOM 0 H ASP A 15 -23.228 -0.622 -15.055 1.00 2.25 H new ATOM 0 HA ASP A 15 -25.794 0.713 -14.641 1.00 2.39 H new ATOM 0 HB2 ASP A 15 -25.353 -1.777 -14.377 1.00 2.61 H new ATOM 0 HB3 ASP A 15 -24.360 -1.414 -12.979 1.00 2.61 H new ATOM 261 N ASP A 16 -25.368 1.461 -12.046 1.00 2.26 N ATOM 262 CA ASP A 16 -25.039 2.366 -10.914 1.00 2.24 C ATOM 263 C ASP A 16 -24.245 1.591 -9.863 1.00 2.10 C ATOM 264 O ASP A 16 -23.051 1.401 -9.985 1.00 2.10 O ATOM 265 CB ASP A 16 -26.343 2.885 -10.301 1.00 2.56 C ATOM 266 CG ASP A 16 -26.797 4.146 -11.041 1.00 2.30 C ATOM 267 OD1 ASP A 16 -27.440 4.006 -12.069 1.00 2.53 O ATOM 268 OD2 ASP A 16 -26.493 5.229 -10.570 1.00 2.62 O ATOM 0 H ASP A 16 -26.289 1.026 -11.998 1.00 2.26 H new ATOM 0 HA ASP A 16 -24.441 3.206 -11.267 1.00 2.24 H new ATOM 0 HB2 ASP A 16 -27.115 2.118 -10.363 1.00 2.56 H new ATOM 0 HB3 ASP A 16 -26.196 3.105 -9.244 1.00 2.56 H new ATOM 273 N GLU A 17 -24.900 1.145 -8.829 1.00 2.23 N ATOM 274 CA GLU A 17 -24.192 0.382 -7.763 1.00 2.35 C ATOM 275 C GLU A 17 -25.131 -0.677 -7.185 1.00 2.75 C ATOM 276 O GLU A 17 -24.860 -1.860 -7.246 1.00 3.12 O ATOM 277 CB GLU A 17 -23.764 1.344 -6.654 1.00 2.40 C ATOM 278 CG GLU A 17 -22.570 2.174 -7.126 1.00 2.31 C ATOM 279 CD GLU A 17 -22.085 3.069 -5.985 1.00 2.28 C ATOM 280 OE1 GLU A 17 -22.578 4.181 -5.879 1.00 2.61 O ATOM 281 OE2 GLU A 17 -21.230 2.628 -5.234 1.00 2.62 O ATOM 0 H GLU A 17 -25.900 1.276 -8.675 1.00 2.23 H new ATOM 0 HA GLU A 17 -23.313 -0.105 -8.184 1.00 2.35 H new ATOM 0 HB2 GLU A 17 -24.593 2.000 -6.388 1.00 2.40 H new ATOM 0 HB3 GLU A 17 -23.499 0.785 -5.756 1.00 2.40 H new ATOM 0 HG2 GLU A 17 -21.764 1.517 -7.454 1.00 2.31 H new ATOM 0 HG3 GLU A 17 -22.854 2.783 -7.984 1.00 2.31 H new ATOM 288 N GLU A 18 -26.234 -0.263 -6.625 1.00 3.00 N ATOM 289 CA GLU A 18 -27.191 -1.248 -6.043 1.00 3.53 C ATOM 290 C GLU A 18 -27.423 -2.381 -7.044 1.00 3.70 C ATOM 291 O GLU A 18 -27.489 -3.539 -6.681 1.00 4.11 O ATOM 292 CB GLU A 18 -28.520 -0.549 -5.742 1.00 4.48 C ATOM 293 CG GLU A 18 -29.359 -1.416 -4.800 1.00 5.11 C ATOM 294 CD GLU A 18 -29.844 -2.662 -5.545 1.00 5.32 C ATOM 295 OE1 GLU A 18 -30.637 -2.510 -6.460 1.00 5.52 O ATOM 296 OE2 GLU A 18 -29.413 -3.746 -5.188 1.00 5.59 O ATOM 0 H GLU A 18 -26.515 0.714 -6.545 1.00 3.00 H new ATOM 0 HA GLU A 18 -26.780 -1.657 -5.120 1.00 3.53 H new ATOM 0 HB2 GLU A 18 -28.335 0.424 -5.287 1.00 4.48 H new ATOM 0 HB3 GLU A 18 -29.065 -0.370 -6.669 1.00 4.48 H new ATOM 0 HG2 GLU A 18 -28.767 -1.706 -3.932 1.00 5.11 H new ATOM 0 HG3 GLU A 18 -30.211 -0.847 -4.428 1.00 5.11 H new ATOM 303 N GLY A 19 -27.546 -2.059 -8.302 1.00 3.80 N ATOM 304 CA GLY A 19 -27.772 -3.118 -9.326 1.00 4.65 C ATOM 305 C GLY A 19 -26.433 -3.748 -9.711 1.00 5.03 C ATOM 306 O GLY A 19 -26.379 -4.720 -10.439 1.00 5.95 O ATOM 0 H GLY A 19 -27.500 -1.107 -8.666 1.00 3.80 H new ATOM 0 HA2 GLY A 19 -28.445 -3.880 -8.934 1.00 4.65 H new ATOM 0 HA3 GLY A 19 -28.252 -2.691 -10.207 1.00 4.65 H new ATOM 310 N GLU A 20 -25.350 -3.203 -9.228 1.00 4.55 N ATOM 311 CA GLU A 20 -24.014 -3.772 -9.566 1.00 5.22 C ATOM 312 C GLU A 20 -23.927 -4.012 -11.074 1.00 5.96 C ATOM 313 O GLU A 20 -23.067 -4.774 -11.486 1.00 6.39 O ATOM 314 CB GLU A 20 -23.823 -5.097 -8.825 1.00 5.18 C ATOM 315 CG GLU A 20 -23.484 -4.821 -7.358 1.00 5.21 C ATOM 316 CD GLU A 20 -22.061 -4.267 -7.259 1.00 5.01 C ATOM 317 OE1 GLU A 20 -21.150 -4.945 -7.704 1.00 5.17 O ATOM 318 OE2 GLU A 20 -21.907 -3.173 -6.740 1.00 5.08 O ATOM 319 OXT GLU A 20 -24.723 -3.429 -11.794 1.00 6.37 O ATOM 0 H GLU A 20 -25.332 -2.389 -8.614 1.00 4.55 H new ATOM 0 HA GLU A 20 -23.234 -3.072 -9.266 1.00 5.22 H new ATOM 0 HB2 GLU A 20 -24.731 -5.697 -8.892 1.00 5.18 H new ATOM 0 HB3 GLU A 20 -23.024 -5.674 -9.291 1.00 5.18 H new ATOM 0 HG2 GLU A 20 -24.193 -4.108 -6.938 1.00 5.21 H new ATOM 0 HG3 GLU A 20 -23.570 -5.738 -6.775 1.00 5.21 H new TER 326 GLU A 20 ATOM 327 N LYS B 21 -17.964 19.552 -1.922 1.00 1.86 N ATOM 328 CA LYS B 21 -18.001 18.241 -2.630 1.00 1.35 C ATOM 329 C LYS B 21 -16.656 17.531 -2.459 1.00 1.16 C ATOM 330 O LYS B 21 -15.907 17.367 -3.401 1.00 1.16 O ATOM 331 CB LYS B 21 -18.269 18.473 -4.119 1.00 1.93 C ATOM 332 CG LYS B 21 -19.703 18.970 -4.308 1.00 2.38 C ATOM 333 CD LYS B 21 -20.034 19.018 -5.801 1.00 2.98 C ATOM 334 CE LYS B 21 -21.342 19.785 -6.010 1.00 3.37 C ATOM 335 NZ LYS B 21 -22.295 19.448 -4.916 1.00 4.01 N ATOM 0 HA LYS B 21 -18.794 17.623 -2.210 1.00 1.35 H new ATOM 0 HB2 LYS B 21 -17.564 19.203 -4.517 1.00 1.93 H new ATOM 0 HB3 LYS B 21 -18.117 17.548 -4.675 1.00 1.93 H new ATOM 0 HG2 LYS B 21 -20.399 18.309 -3.791 1.00 2.38 H new ATOM 0 HG3 LYS B 21 -19.817 19.960 -3.867 1.00 2.38 H new ATOM 0 HD2 LYS B 21 -19.225 19.502 -6.348 1.00 2.98 H new ATOM 0 HD3 LYS B 21 -20.126 18.006 -6.197 1.00 2.98 H new ATOM 0 HE2 LYS B 21 -21.149 20.858 -6.021 1.00 3.37 H new ATOM 0 HE3 LYS B 21 -21.776 19.529 -6.977 1.00 3.37 H new ATOM 0 HZ1 LYS B 21 -23.262 19.694 -5.210 1.00 4.01 H new ATOM 0 HZ2 LYS B 21 -22.244 18.429 -4.712 1.00 4.01 H new ATOM 0 HZ3 LYS B 21 -22.046 19.985 -4.061 1.00 4.01 H new ATOM 351 N LEU B 22 -16.345 17.111 -1.263 1.00 1.16 N ATOM 352 CA LEU B 22 -15.049 16.412 -1.029 1.00 1.04 C ATOM 353 C LEU B 22 -15.201 14.925 -1.361 1.00 0.79 C ATOM 354 O LEU B 22 -14.234 14.227 -1.589 1.00 0.68 O ATOM 355 CB LEU B 22 -14.642 16.573 0.438 1.00 1.26 C ATOM 356 CG LEU B 22 -14.989 17.985 0.913 1.00 1.50 C ATOM 357 CD1 LEU B 22 -14.453 18.194 2.330 1.00 2.19 C ATOM 358 CD2 LEU B 22 -14.350 19.009 -0.029 1.00 2.22 C ATOM 0 H LEU B 22 -16.933 17.222 -0.437 1.00 1.16 H new ATOM 0 HA LEU B 22 -14.280 16.846 -1.668 1.00 1.04 H new ATOM 0 HB2 LEU B 22 -15.157 15.835 1.052 1.00 1.26 H new ATOM 0 HB3 LEU B 22 -13.573 16.392 0.552 1.00 1.26 H new ATOM 0 HG LEU B 22 -16.071 18.113 0.912 1.00 1.50 H new ATOM 0 HD11 LEU B 22 -14.701 19.200 2.668 1.00 2.19 H new ATOM 0 HD12 LEU B 22 -14.905 17.464 3.001 1.00 2.19 H new ATOM 0 HD13 LEU B 22 -13.370 18.067 2.332 1.00 2.19 H new ATOM 0 HD21 LEU B 22 -14.596 20.016 0.308 1.00 2.22 H new ATOM 0 HD22 LEU B 22 -13.268 18.880 -0.027 1.00 2.22 H new ATOM 0 HD23 LEU B 22 -14.731 18.861 -1.040 1.00 2.22 H new ATOM 370 N LEU B 23 -16.410 14.440 -1.383 1.00 0.79 N ATOM 371 CA LEU B 23 -16.640 12.999 -1.690 1.00 0.69 C ATOM 372 C LEU B 23 -15.809 12.578 -2.904 1.00 0.63 C ATOM 373 O LEU B 23 -15.603 11.408 -3.146 1.00 0.69 O ATOM 374 CB LEU B 23 -18.130 12.763 -1.969 1.00 0.85 C ATOM 375 CG LEU B 23 -18.544 13.436 -3.284 1.00 0.89 C ATOM 376 CD1 LEU B 23 -20.024 13.152 -3.552 1.00 1.42 C ATOM 377 CD2 LEU B 23 -18.328 14.951 -3.185 1.00 1.20 C ATOM 0 H LEU B 23 -17.255 14.982 -1.201 1.00 0.79 H new ATOM 0 HA LEU B 23 -16.335 12.400 -0.832 1.00 0.69 H new ATOM 0 HB2 LEU B 23 -18.331 11.693 -2.022 1.00 0.85 H new ATOM 0 HB3 LEU B 23 -18.727 13.159 -1.147 1.00 0.85 H new ATOM 0 HG LEU B 23 -17.937 13.039 -4.098 1.00 0.89 H new ATOM 0 HD11 LEU B 23 -20.323 13.628 -4.486 1.00 1.42 H new ATOM 0 HD12 LEU B 23 -20.180 12.076 -3.628 1.00 1.42 H new ATOM 0 HD13 LEU B 23 -20.625 13.549 -2.734 1.00 1.42 H new ATOM 0 HD21 LEU B 23 -18.624 15.423 -4.122 1.00 1.20 H new ATOM 0 HD22 LEU B 23 -18.931 15.352 -2.371 1.00 1.20 H new ATOM 0 HD23 LEU B 23 -17.275 15.157 -2.992 1.00 1.20 H new ATOM 389 N ILE B 24 -15.329 13.519 -3.666 1.00 0.66 N ATOM 390 CA ILE B 24 -14.504 13.177 -4.862 1.00 0.75 C ATOM 391 C ILE B 24 -13.029 13.265 -4.487 1.00 0.67 C ATOM 392 O ILE B 24 -12.257 12.357 -4.723 1.00 0.70 O ATOM 393 CB ILE B 24 -14.809 14.156 -6.002 1.00 0.99 C ATOM 394 CG1 ILE B 24 -14.418 15.578 -5.576 1.00 1.07 C ATOM 395 CG2 ILE B 24 -16.303 14.103 -6.332 1.00 1.21 C ATOM 396 CD1 ILE B 24 -15.129 16.603 -6.464 1.00 1.52 C ATOM 0 H ILE B 24 -15.472 14.517 -3.513 1.00 0.66 H new ATOM 0 HA ILE B 24 -14.740 12.166 -5.194 1.00 0.75 H new ATOM 0 HB ILE B 24 -14.236 13.878 -6.886 1.00 0.99 H new ATOM 0 HG12 ILE B 24 -14.686 15.741 -4.532 1.00 1.07 H new ATOM 0 HG13 ILE B 24 -13.338 15.706 -5.652 1.00 1.07 H new ATOM 0 HG21 ILE B 24 -16.522 14.799 -7.142 1.00 1.21 H new ATOM 0 HG22 ILE B 24 -16.572 13.092 -6.639 1.00 1.21 H new ATOM 0 HG23 ILE B 24 -16.880 14.380 -5.450 1.00 1.21 H new ATOM 0 HD11 ILE B 24 -14.847 17.610 -6.156 1.00 1.52 H new ATOM 0 HD12 ILE B 24 -14.839 16.447 -7.503 1.00 1.52 H new ATOM 0 HD13 ILE B 24 -16.208 16.483 -6.366 1.00 1.52 H new ATOM 408 N THR B 25 -12.639 14.354 -3.895 1.00 0.70 N ATOM 409 CA THR B 25 -11.219 14.517 -3.486 1.00 0.76 C ATOM 410 C THR B 25 -10.874 13.424 -2.480 1.00 0.65 C ATOM 411 O THR B 25 -9.822 12.820 -2.538 1.00 0.72 O ATOM 412 CB THR B 25 -11.024 15.891 -2.842 1.00 0.96 C ATOM 413 OG1 THR B 25 -11.509 15.860 -1.507 1.00 1.62 O ATOM 414 CG2 THR B 25 -11.791 16.946 -3.642 1.00 1.56 C ATOM 0 H THR B 25 -13.246 15.144 -3.675 1.00 0.70 H new ATOM 0 HA THR B 25 -10.569 14.439 -4.357 1.00 0.76 H new ATOM 0 HB THR B 25 -9.964 16.143 -2.838 1.00 0.96 H new ATOM 0 HG1 THR B 25 -11.383 16.739 -1.093 1.00 1.62 H new ATOM 0 HG21 THR B 25 -11.651 17.924 -3.182 1.00 1.56 H new ATOM 0 HG22 THR B 25 -11.417 16.969 -4.666 1.00 1.56 H new ATOM 0 HG23 THR B 25 -12.852 16.697 -3.649 1.00 1.56 H new ATOM 422 N ILE B 26 -11.763 13.153 -1.563 1.00 0.61 N ATOM 423 CA ILE B 26 -11.489 12.086 -0.565 1.00 0.65 C ATOM 424 C ILE B 26 -11.634 10.732 -1.252 1.00 0.60 C ATOM 425 O ILE B 26 -10.975 9.773 -0.901 1.00 0.73 O ATOM 426 CB ILE B 26 -12.475 12.190 0.604 1.00 0.73 C ATOM 427 CG1 ILE B 26 -13.902 11.877 0.119 1.00 1.13 C ATOM 428 CG2 ILE B 26 -12.428 13.609 1.176 1.00 1.14 C ATOM 429 CD1 ILE B 26 -14.267 10.426 0.454 1.00 0.75 C ATOM 0 H ILE B 26 -12.663 13.623 -1.464 1.00 0.61 H new ATOM 0 HA ILE B 26 -10.479 12.198 -0.172 1.00 0.65 H new ATOM 0 HB ILE B 26 -12.198 11.471 1.375 1.00 0.73 H new ATOM 0 HG12 ILE B 26 -14.612 12.557 0.591 1.00 1.13 H new ATOM 0 HG13 ILE B 26 -13.972 12.039 -0.957 1.00 1.13 H new ATOM 0 HG21 ILE B 26 -13.127 13.689 2.008 1.00 1.14 H new ATOM 0 HG22 ILE B 26 -11.419 13.826 1.528 1.00 1.14 H new ATOM 0 HG23 ILE B 26 -12.704 14.323 0.400 1.00 1.14 H new ATOM 0 HD11 ILE B 26 -15.278 10.216 0.106 1.00 0.75 H new ATOM 0 HD12 ILE B 26 -13.566 9.752 -0.038 1.00 0.75 H new ATOM 0 HD13 ILE B 26 -14.216 10.278 1.533 1.00 0.75 H new ATOM 441 N HIS B 27 -12.483 10.646 -2.239 1.00 0.55 N ATOM 442 CA HIS B 27 -12.649 9.346 -2.953 1.00 0.68 C ATOM 443 C HIS B 27 -11.550 9.213 -4.005 1.00 0.65 C ATOM 444 O HIS B 27 -11.311 8.148 -4.540 1.00 0.78 O ATOM 445 CB HIS B 27 -14.016 9.290 -3.634 1.00 0.84 C ATOM 446 CG HIS B 27 -14.139 8.005 -4.406 1.00 1.64 C ATOM 447 ND1 HIS B 27 -13.338 6.905 -4.144 1.00 2.17 N ATOM 448 CD2 HIS B 27 -14.964 7.630 -5.436 1.00 2.35 C ATOM 449 CE1 HIS B 27 -13.696 5.929 -4.999 1.00 2.95 C ATOM 450 NE2 HIS B 27 -14.684 6.319 -5.809 1.00 3.10 N ATOM 0 H HIS B 27 -13.065 11.411 -2.580 1.00 0.55 H new ATOM 0 HA HIS B 27 -12.579 8.529 -2.235 1.00 0.68 H new ATOM 0 HB2 HIS B 27 -14.809 9.356 -2.889 1.00 0.84 H new ATOM 0 HB3 HIS B 27 -14.136 10.142 -4.303 1.00 0.84 H new ATOM 0 HD1 HIS B 27 -12.610 6.846 -3.433 1.00 2.17 H new ATOM 0 HD2 HIS B 27 -15.717 8.258 -5.889 1.00 2.35 H new ATOM 0 HE1 HIS B 27 -13.240 4.950 -5.027 1.00 2.95 H new ATOM 458 N ASP B 28 -10.876 10.289 -4.303 1.00 0.56 N ATOM 459 CA ASP B 28 -9.785 10.233 -5.317 1.00 0.61 C ATOM 460 C ASP B 28 -8.450 10.029 -4.608 1.00 0.56 C ATOM 461 O ASP B 28 -7.543 9.412 -5.130 1.00 0.63 O ATOM 462 CB ASP B 28 -9.745 11.550 -6.089 1.00 0.69 C ATOM 463 CG ASP B 28 -8.815 11.408 -7.296 1.00 0.80 C ATOM 464 OD1 ASP B 28 -9.104 10.583 -8.148 1.00 0.99 O ATOM 465 OD2 ASP B 28 -7.831 12.127 -7.348 1.00 1.26 O ATOM 0 H ASP B 28 -11.034 11.207 -3.887 1.00 0.56 H new ATOM 0 HA ASP B 28 -9.967 9.408 -6.006 1.00 0.61 H new ATOM 0 HB2 ASP B 28 -10.748 11.820 -6.419 1.00 0.69 H new ATOM 0 HB3 ASP B 28 -9.396 12.353 -5.440 1.00 0.69 H new ATOM 470 N ARG B 29 -8.328 10.537 -3.417 1.00 0.54 N ATOM 471 CA ARG B 29 -7.057 10.366 -2.664 1.00 0.62 C ATOM 472 C ARG B 29 -6.857 8.875 -2.400 1.00 0.66 C ATOM 473 O ARG B 29 -5.771 8.420 -2.096 1.00 0.75 O ATOM 474 CB ARG B 29 -7.138 11.161 -1.344 1.00 0.79 C ATOM 475 CG ARG B 29 -7.048 10.226 -0.130 1.00 1.48 C ATOM 476 CD ARG B 29 -7.144 11.053 1.154 1.00 1.89 C ATOM 477 NE ARG B 29 -5.862 11.781 1.372 1.00 2.46 N ATOM 478 CZ ARG B 29 -5.808 12.766 2.227 1.00 3.17 C ATOM 479 NH1 ARG B 29 -6.876 13.112 2.891 1.00 3.91 N ATOM 480 NH2 ARG B 29 -4.686 13.404 2.416 1.00 3.56 N ATOM 0 H ARG B 29 -9.054 11.064 -2.931 1.00 0.54 H new ATOM 0 HA ARG B 29 -6.209 10.744 -3.234 1.00 0.62 H new ATOM 0 HB2 ARG B 29 -6.330 11.891 -1.305 1.00 0.79 H new ATOM 0 HB3 ARG B 29 -8.074 11.719 -1.309 1.00 0.79 H new ATOM 0 HG2 ARG B 29 -7.851 9.490 -0.163 1.00 1.48 H new ATOM 0 HG3 ARG B 29 -6.109 9.674 -0.151 1.00 1.48 H new ATOM 0 HD2 ARG B 29 -7.969 11.761 1.082 1.00 1.89 H new ATOM 0 HD3 ARG B 29 -7.355 10.403 2.003 1.00 1.89 H new ATOM 0 HE ARG B 29 -5.027 11.510 0.853 1.00 2.46 H new ATOM 0 HH11 ARG B 29 -7.753 12.613 2.742 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -6.834 13.882 3.559 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -3.851 13.133 1.896 1.00 3.56 H new ATOM 0 HH22 ARG B 29 -4.643 14.174 3.084 1.00 3.56 H new ATOM 494 N LYS B 30 -7.906 8.114 -2.524 1.00 0.76 N ATOM 495 CA LYS B 30 -7.807 6.651 -2.297 1.00 1.00 C ATOM 496 C LYS B 30 -7.096 6.010 -3.490 1.00 1.05 C ATOM 497 O LYS B 30 -6.586 4.910 -3.404 1.00 1.25 O ATOM 498 CB LYS B 30 -9.216 6.065 -2.158 1.00 1.27 C ATOM 499 CG LYS B 30 -9.140 4.691 -1.491 1.00 1.87 C ATOM 500 CD LYS B 30 -10.554 4.137 -1.302 1.00 2.10 C ATOM 501 CE LYS B 30 -10.491 2.842 -0.491 1.00 2.62 C ATOM 502 NZ LYS B 30 -10.075 3.151 0.907 1.00 3.31 N ATOM 0 H LYS B 30 -8.836 8.448 -2.776 1.00 0.76 H new ATOM 0 HA LYS B 30 -7.243 6.451 -1.386 1.00 1.00 H new ATOM 0 HB2 LYS B 30 -9.841 6.733 -1.566 1.00 1.27 H new ATOM 0 HB3 LYS B 30 -9.683 5.978 -3.139 1.00 1.27 H new ATOM 0 HG2 LYS B 30 -8.550 4.010 -2.104 1.00 1.87 H new ATOM 0 HG3 LYS B 30 -8.637 4.770 -0.527 1.00 1.87 H new ATOM 0 HD2 LYS B 30 -11.177 4.870 -0.789 1.00 2.10 H new ATOM 0 HD3 LYS B 30 -11.015 3.949 -2.272 1.00 2.10 H new ATOM 0 HE2 LYS B 30 -11.465 2.352 -0.492 1.00 2.62 H new ATOM 0 HE3 LYS B 30 -9.784 2.149 -0.947 1.00 2.62 H new ATOM 0 HZ1 LYS B 30 -10.380 2.383 1.538 1.00 3.31 H new ATOM 0 HZ2 LYS B 30 -9.040 3.243 0.949 1.00 3.31 H new ATOM 0 HZ3 LYS B 30 -10.514 4.043 1.211 1.00 3.31 H new ATOM 516 N GLU B 31 -7.063 6.691 -4.605 1.00 1.01 N ATOM 517 CA GLU B 31 -6.389 6.122 -5.806 1.00 1.29 C ATOM 518 C GLU B 31 -5.023 5.560 -5.415 1.00 1.30 C ATOM 519 O GLU B 31 -4.592 4.542 -5.919 1.00 1.57 O ATOM 520 CB GLU B 31 -6.211 7.219 -6.859 1.00 1.50 C ATOM 521 CG GLU B 31 -5.183 8.241 -6.368 1.00 1.39 C ATOM 522 CD GLU B 31 -5.265 9.503 -7.228 1.00 1.71 C ATOM 523 OE1 GLU B 31 -6.356 9.825 -7.670 1.00 1.86 O ATOM 524 OE2 GLU B 31 -4.236 10.127 -7.429 1.00 2.40 O ATOM 0 H GLU B 31 -7.474 7.616 -4.735 1.00 1.01 H new ATOM 0 HA GLU B 31 -7.002 5.320 -6.217 1.00 1.29 H new ATOM 0 HB2 GLU B 31 -5.882 6.782 -7.802 1.00 1.50 H new ATOM 0 HB3 GLU B 31 -7.165 7.711 -7.051 1.00 1.50 H new ATOM 0 HG2 GLU B 31 -5.371 8.488 -5.323 1.00 1.39 H new ATOM 0 HG3 GLU B 31 -4.180 7.817 -6.420 1.00 1.39 H new ATOM 531 N PHE B 32 -4.341 6.214 -4.521 1.00 1.19 N ATOM 532 CA PHE B 32 -3.002 5.719 -4.095 1.00 1.43 C ATOM 533 C PHE B 32 -3.180 4.558 -3.115 1.00 1.52 C ATOM 534 O PHE B 32 -2.282 3.770 -2.893 1.00 1.75 O ATOM 535 CB PHE B 32 -2.227 6.855 -3.414 1.00 1.60 C ATOM 536 CG PHE B 32 -0.748 6.676 -3.649 1.00 2.07 C ATOM 537 CD1 PHE B 32 -0.050 5.711 -2.927 1.00 2.19 C ATOM 538 CD2 PHE B 32 -0.079 7.472 -4.587 1.00 2.58 C ATOM 539 CE1 PHE B 32 1.322 5.534 -3.134 1.00 2.64 C ATOM 540 CE2 PHE B 32 1.295 7.298 -4.798 1.00 3.05 C ATOM 541 CZ PHE B 32 1.996 6.328 -4.071 1.00 3.02 C ATOM 0 H PHE B 32 -4.652 7.072 -4.065 1.00 1.19 H new ATOM 0 HA PHE B 32 -2.445 5.377 -4.967 1.00 1.43 H new ATOM 0 HB2 PHE B 32 -2.553 7.818 -3.808 1.00 1.60 H new ATOM 0 HB3 PHE B 32 -2.437 6.861 -2.344 1.00 1.60 H new ATOM 0 HD1 PHE B 32 -0.569 5.098 -2.205 1.00 2.19 H new ATOM 0 HD2 PHE B 32 -0.622 8.219 -5.147 1.00 2.58 H new ATOM 0 HE1 PHE B 32 1.861 4.786 -2.572 1.00 2.64 H new ATOM 0 HE2 PHE B 32 1.813 7.911 -5.521 1.00 3.05 H new ATOM 0 HZ PHE B 32 3.055 6.192 -4.232 1.00 3.02 H new ATOM 551 N ALA B 33 -4.332 4.459 -2.520 1.00 1.48 N ATOM 552 CA ALA B 33 -4.584 3.366 -1.539 1.00 1.81 C ATOM 553 C ALA B 33 -4.108 2.020 -2.092 1.00 2.06 C ATOM 554 O ALA B 33 -3.234 1.390 -1.534 1.00 2.34 O ATOM 555 CB ALA B 33 -6.083 3.288 -1.245 1.00 1.90 C ATOM 0 H ALA B 33 -5.117 5.092 -2.671 1.00 1.48 H new ATOM 0 HA ALA B 33 -4.032 3.583 -0.625 1.00 1.81 H new ATOM 0 HB1 ALA B 33 -6.272 2.489 -0.528 1.00 1.90 H new ATOM 0 HB2 ALA B 33 -6.422 4.237 -0.829 1.00 1.90 H new ATOM 0 HB3 ALA B 33 -6.625 3.082 -2.168 1.00 1.90 H new ATOM 561 N LYS B 34 -4.691 1.557 -3.166 1.00 2.06 N ATOM 562 CA LYS B 34 -4.284 0.233 -3.727 1.00 2.39 C ATOM 563 C LYS B 34 -3.067 0.380 -4.643 1.00 2.40 C ATOM 564 O LYS B 34 -2.251 -0.515 -4.739 1.00 2.70 O ATOM 565 CB LYS B 34 -5.450 -0.360 -4.520 1.00 2.57 C ATOM 566 CG LYS B 34 -5.138 -1.814 -4.881 1.00 3.09 C ATOM 567 CD LYS B 34 -6.210 -2.345 -5.833 1.00 3.64 C ATOM 568 CE LYS B 34 -5.931 -3.816 -6.149 1.00 4.16 C ATOM 569 NZ LYS B 34 -6.743 -4.235 -7.325 1.00 4.41 N ATOM 0 H LYS B 34 -5.430 2.037 -3.679 1.00 2.06 H new ATOM 0 HA LYS B 34 -4.018 -0.428 -2.902 1.00 2.39 H new ATOM 0 HB2 LYS B 34 -6.366 -0.309 -3.932 1.00 2.57 H new ATOM 0 HB3 LYS B 34 -5.620 0.222 -5.426 1.00 2.57 H new ATOM 0 HG2 LYS B 34 -4.156 -1.881 -5.349 1.00 3.09 H new ATOM 0 HG3 LYS B 34 -5.103 -2.424 -3.979 1.00 3.09 H new ATOM 0 HD2 LYS B 34 -7.196 -2.240 -5.381 1.00 3.64 H new ATOM 0 HD3 LYS B 34 -6.217 -1.760 -6.753 1.00 3.64 H new ATOM 0 HE2 LYS B 34 -4.871 -3.959 -6.356 1.00 4.16 H new ATOM 0 HE3 LYS B 34 -6.174 -4.437 -5.286 1.00 4.16 H new ATOM 0 HZ1 LYS B 34 -6.553 -5.235 -7.539 1.00 4.41 H new ATOM 0 HZ2 LYS B 34 -7.753 -4.113 -7.111 1.00 4.41 H new ATOM 0 HZ3 LYS B 34 -6.490 -3.651 -8.147 1.00 4.41 H new ATOM 583 N PHE B 35 -2.929 1.488 -5.318 1.00 2.18 N ATOM 584 CA PHE B 35 -1.750 1.661 -6.217 1.00 2.37 C ATOM 585 C PHE B 35 -0.498 1.214 -5.465 1.00 2.57 C ATOM 586 O PHE B 35 0.521 0.898 -6.046 1.00 2.85 O ATOM 587 CB PHE B 35 -1.626 3.140 -6.596 1.00 2.24 C ATOM 588 CG PHE B 35 -1.713 3.308 -8.091 1.00 2.39 C ATOM 589 CD1 PHE B 35 -0.722 2.762 -8.900 1.00 2.85 C ATOM 590 CD2 PHE B 35 -2.782 4.007 -8.663 1.00 2.52 C ATOM 591 CE1 PHE B 35 -0.789 2.910 -10.291 1.00 3.31 C ATOM 592 CE2 PHE B 35 -2.854 4.157 -10.053 1.00 2.95 C ATOM 593 CZ PHE B 35 -1.856 3.607 -10.868 1.00 3.29 C ATOM 0 H PHE B 35 -3.576 2.276 -5.288 1.00 2.18 H new ATOM 0 HA PHE B 35 -1.868 1.066 -7.122 1.00 2.37 H new ATOM 0 HB2 PHE B 35 -2.417 3.713 -6.113 1.00 2.24 H new ATOM 0 HB3 PHE B 35 -0.678 3.537 -6.234 1.00 2.24 H new ATOM 0 HD1 PHE B 35 0.101 2.223 -8.454 1.00 2.85 H new ATOM 0 HD2 PHE B 35 -3.550 4.430 -8.033 1.00 2.52 H new ATOM 0 HE1 PHE B 35 -0.018 2.487 -10.918 1.00 3.31 H new ATOM 0 HE2 PHE B 35 -3.678 4.696 -10.497 1.00 2.95 H new ATOM 0 HZ PHE B 35 -1.910 3.721 -11.941 1.00 3.29 H new ATOM 603 N GLU B 36 -0.586 1.186 -4.169 1.00 2.53 N ATOM 604 CA GLU B 36 0.564 0.765 -3.333 1.00 2.84 C ATOM 605 C GLU B 36 1.049 -0.622 -3.769 1.00 3.20 C ATOM 606 O GLU B 36 2.180 -0.996 -3.525 1.00 3.53 O ATOM 607 CB GLU B 36 0.106 0.710 -1.877 1.00 2.82 C ATOM 608 CG GLU B 36 -1.018 -0.314 -1.733 1.00 2.86 C ATOM 609 CD GLU B 36 -1.609 -0.231 -0.324 1.00 2.82 C ATOM 610 OE1 GLU B 36 -1.225 0.667 0.406 1.00 3.33 O ATOM 611 OE2 GLU B 36 -2.438 -1.066 -0.001 1.00 2.91 O ATOM 0 H GLU B 36 -1.423 1.442 -3.645 1.00 2.53 H new ATOM 0 HA GLU B 36 1.384 1.475 -3.446 1.00 2.84 H new ATOM 0 HB2 GLU B 36 0.942 0.440 -1.232 1.00 2.82 H new ATOM 0 HB3 GLU B 36 -0.240 1.693 -1.556 1.00 2.82 H new ATOM 0 HG2 GLU B 36 -1.793 -0.125 -2.475 1.00 2.86 H new ATOM 0 HG3 GLU B 36 -0.636 -1.318 -1.920 1.00 2.86 H new ATOM 618 N GLU B 37 0.211 -1.385 -4.420 1.00 3.22 N ATOM 619 CA GLU B 37 0.640 -2.739 -4.876 1.00 3.63 C ATOM 620 C GLU B 37 1.282 -2.594 -6.247 1.00 3.74 C ATOM 621 O GLU B 37 2.341 -3.124 -6.522 1.00 4.07 O ATOM 622 CB GLU B 37 -0.580 -3.662 -4.974 1.00 3.74 C ATOM 623 CG GLU B 37 -0.936 -4.193 -3.583 1.00 4.14 C ATOM 624 CD GLU B 37 0.120 -5.206 -3.138 1.00 3.99 C ATOM 625 OE1 GLU B 37 0.460 -6.067 -3.933 1.00 4.28 O ATOM 626 OE2 GLU B 37 0.573 -5.103 -2.010 1.00 4.10 O ATOM 0 H GLU B 37 -0.748 -1.130 -4.655 1.00 3.22 H new ATOM 0 HA GLU B 37 1.349 -3.169 -4.169 1.00 3.63 H new ATOM 0 HB2 GLU B 37 -1.426 -3.119 -5.395 1.00 3.74 H new ATOM 0 HB3 GLU B 37 -0.367 -4.492 -5.648 1.00 3.74 H new ATOM 0 HG2 GLU B 37 -0.989 -3.370 -2.870 1.00 4.14 H new ATOM 0 HG3 GLU B 37 -1.920 -4.662 -3.602 1.00 4.14 H new ATOM 633 N GLU B 38 0.636 -1.861 -7.101 1.00 3.54 N ATOM 634 CA GLU B 38 1.168 -1.634 -8.467 1.00 3.73 C ATOM 635 C GLU B 38 2.644 -1.236 -8.378 1.00 3.99 C ATOM 636 O GLU B 38 3.509 -1.901 -8.911 1.00 4.40 O ATOM 637 CB GLU B 38 0.353 -0.504 -9.103 1.00 3.44 C ATOM 638 CG GLU B 38 -0.534 -1.064 -10.219 1.00 4.00 C ATOM 639 CD GLU B 38 -1.297 0.082 -10.888 1.00 3.81 C ATOM 640 OE1 GLU B 38 -2.257 0.551 -10.299 1.00 3.92 O ATOM 641 OE2 GLU B 38 -0.909 0.469 -11.978 1.00 4.06 O ATOM 0 H GLU B 38 -0.254 -1.401 -6.907 1.00 3.54 H new ATOM 0 HA GLU B 38 1.090 -2.538 -9.070 1.00 3.73 H new ATOM 0 HB2 GLU B 38 -0.263 -0.018 -8.346 1.00 3.44 H new ATOM 0 HB3 GLU B 38 1.022 0.256 -9.506 1.00 3.44 H new ATOM 0 HG2 GLU B 38 0.076 -1.587 -10.955 1.00 4.00 H new ATOM 0 HG3 GLU B 38 -1.235 -1.792 -9.810 1.00 4.00 H new ATOM 648 N ARG B 39 2.936 -0.158 -7.702 1.00 3.86 N ATOM 649 CA ARG B 39 4.355 0.278 -7.573 1.00 4.27 C ATOM 650 C ARG B 39 5.216 -0.926 -7.201 1.00 4.74 C ATOM 651 O ARG B 39 6.108 -1.320 -7.927 1.00 5.18 O ATOM 652 CB ARG B 39 4.461 1.326 -6.465 1.00 4.13 C ATOM 653 CG ARG B 39 5.830 2.004 -6.531 1.00 4.53 C ATOM 654 CD ARG B 39 5.859 3.189 -5.563 1.00 4.57 C ATOM 655 NE ARG B 39 5.369 2.750 -4.227 1.00 4.77 N ATOM 656 CZ ARG B 39 5.577 3.497 -3.177 1.00 5.11 C ATOM 657 NH1 ARG B 39 6.214 4.629 -3.298 1.00 5.62 N ATOM 658 NH2 ARG B 39 5.148 3.111 -2.006 1.00 5.25 N ATOM 0 H ARG B 39 2.254 0.439 -7.234 1.00 3.86 H new ATOM 0 HA ARG B 39 4.696 0.702 -8.517 1.00 4.27 H new ATOM 0 HB2 ARG B 39 3.670 2.068 -6.576 1.00 4.13 H new ATOM 0 HB3 ARG B 39 4.323 0.856 -5.491 1.00 4.13 H new ATOM 0 HG2 ARG B 39 6.614 1.291 -6.274 1.00 4.53 H new ATOM 0 HG3 ARG B 39 6.030 2.345 -7.547 1.00 4.53 H new ATOM 0 HD2 ARG B 39 6.873 3.580 -5.480 1.00 4.57 H new ATOM 0 HD3 ARG B 39 5.236 3.998 -5.943 1.00 4.57 H new ATOM 0 HE ARG B 39 4.871 1.865 -4.132 1.00 4.77 H new ATOM 0 HH11 ARG B 39 6.549 4.930 -4.213 1.00 5.62 H new ATOM 0 HH12 ARG B 39 6.377 5.213 -2.478 1.00 5.62 H new ATOM 0 HH21 ARG B 39 4.650 2.226 -1.912 1.00 5.25 H new ATOM 0 HH22 ARG B 39 5.311 3.695 -1.185 1.00 5.25 H new ATOM 672 N ALA B 40 4.947 -1.513 -6.071 1.00 4.74 N ATOM 673 CA ALA B 40 5.736 -2.697 -5.636 1.00 5.29 C ATOM 674 C ALA B 40 5.730 -3.748 -6.749 1.00 5.56 C ATOM 675 O ALA B 40 6.668 -4.505 -6.904 1.00 6.16 O ATOM 676 CB ALA B 40 5.111 -3.286 -4.371 1.00 5.30 C ATOM 0 H ALA B 40 4.211 -1.223 -5.427 1.00 4.74 H new ATOM 0 HA ALA B 40 6.763 -2.397 -5.427 1.00 5.29 H new ATOM 0 HB1 ALA B 40 5.687 -4.154 -4.050 1.00 5.30 H new ATOM 0 HB2 ALA B 40 5.114 -2.536 -3.580 1.00 5.30 H new ATOM 0 HB3 ALA B 40 4.085 -3.589 -4.579 1.00 5.30 H new ATOM 682 N ARG B 41 4.682 -3.802 -7.527 1.00 5.18 N ATOM 683 CA ARG B 41 4.626 -4.804 -8.627 1.00 5.53 C ATOM 684 C ARG B 41 5.459 -4.306 -9.809 1.00 5.92 C ATOM 685 O ARG B 41 6.260 -5.032 -10.363 1.00 6.46 O ATOM 686 CB ARG B 41 3.174 -4.998 -9.069 1.00 5.10 C ATOM 687 CG ARG B 41 3.063 -6.262 -9.924 1.00 5.44 C ATOM 688 CD ARG B 41 1.593 -6.529 -10.251 1.00 5.52 C ATOM 689 NE ARG B 41 1.494 -7.692 -11.178 1.00 6.24 N ATOM 690 CZ ARG B 41 0.346 -8.287 -11.358 1.00 6.58 C ATOM 691 NH1 ARG B 41 -0.715 -7.864 -10.726 1.00 6.70 N ATOM 692 NH2 ARG B 41 0.259 -9.305 -12.170 1.00 7.03 N ATOM 0 H ARG B 41 3.865 -3.197 -7.448 1.00 5.18 H new ATOM 0 HA ARG B 41 5.026 -5.755 -8.275 1.00 5.53 H new ATOM 0 HB2 ARG B 41 2.525 -5.079 -8.197 1.00 5.10 H new ATOM 0 HB3 ARG B 41 2.837 -4.131 -9.638 1.00 5.10 H new ATOM 0 HG2 ARG B 41 3.635 -6.143 -10.844 1.00 5.44 H new ATOM 0 HG3 ARG B 41 3.488 -7.113 -9.392 1.00 5.44 H new ATOM 0 HD2 ARG B 41 1.037 -6.731 -9.336 1.00 5.52 H new ATOM 0 HD3 ARG B 41 1.145 -5.647 -10.708 1.00 5.52 H new ATOM 0 HE ARG B 41 2.323 -8.023 -11.672 1.00 6.24 H new ATOM 0 HH11 ARG B 41 -0.647 -7.068 -10.091 1.00 6.70 H new ATOM 0 HH12 ARG B 41 -1.612 -8.329 -10.867 1.00 6.70 H new ATOM 0 HH21 ARG B 41 1.088 -9.636 -12.664 1.00 7.03 H new ATOM 0 HH22 ARG B 41 -0.638 -9.770 -12.311 1.00 7.03 H new ATOM 706 N ALA B 42 5.278 -3.067 -10.191 1.00 5.78 N ATOM 707 CA ALA B 42 6.059 -2.500 -11.333 1.00 6.35 C ATOM 708 C ALA B 42 6.316 -3.582 -12.386 1.00 6.87 C ATOM 709 O ALA B 42 5.541 -4.505 -12.548 1.00 7.20 O ATOM 710 CB ALA B 42 7.396 -1.966 -10.818 1.00 6.56 C ATOM 0 H ALA B 42 4.619 -2.420 -9.758 1.00 5.78 H new ATOM 0 HA ALA B 42 5.488 -1.690 -11.787 1.00 6.35 H new ATOM 0 HB1 ALA B 42 7.967 -1.552 -11.649 1.00 6.56 H new ATOM 0 HB2 ALA B 42 7.216 -1.186 -10.078 1.00 6.56 H new ATOM 0 HB3 ALA B 42 7.960 -2.778 -10.359 1.00 6.56 H new ATOM 716 N LYS B 43 7.402 -3.476 -13.102 1.00 7.20 N ATOM 717 CA LYS B 43 7.715 -4.494 -14.139 1.00 7.90 C ATOM 718 C LYS B 43 8.223 -5.768 -13.466 1.00 8.16 C ATOM 719 O LYS B 43 7.461 -6.549 -12.931 1.00 8.38 O ATOM 720 CB LYS B 43 8.790 -3.949 -15.081 1.00 8.21 C ATOM 721 CG LYS B 43 8.220 -2.779 -15.888 1.00 8.33 C ATOM 722 CD LYS B 43 9.287 -2.247 -16.857 1.00 8.75 C ATOM 723 CE LYS B 43 8.656 -1.988 -18.228 1.00 9.44 C ATOM 724 NZ LYS B 43 9.627 -1.259 -19.092 1.00 9.50 N ATOM 0 H LYS B 43 8.087 -2.725 -13.012 1.00 7.20 H new ATOM 0 HA LYS B 43 6.814 -4.720 -14.710 1.00 7.90 H new ATOM 0 HB2 LYS B 43 9.657 -3.621 -14.508 1.00 8.21 H new ATOM 0 HB3 LYS B 43 9.131 -4.736 -15.754 1.00 8.21 H new ATOM 0 HG2 LYS B 43 7.340 -3.103 -16.444 1.00 8.33 H new ATOM 0 HG3 LYS B 43 7.898 -1.984 -15.215 1.00 8.33 H new ATOM 0 HD2 LYS B 43 9.721 -1.327 -16.466 1.00 8.75 H new ATOM 0 HD3 LYS B 43 10.099 -2.968 -16.950 1.00 8.75 H new ATOM 0 HE2 LYS B 43 8.375 -2.932 -18.695 1.00 9.44 H new ATOM 0 HE3 LYS B 43 7.743 -1.404 -18.115 1.00 9.44 H new ATOM 0 HZ1 LYS B 43 9.199 -1.083 -20.023 1.00 9.50 H new ATOM 0 HZ2 LYS B 43 9.874 -0.352 -18.647 1.00 9.50 H new ATOM 0 HZ3 LYS B 43 10.486 -1.833 -19.209 1.00 9.50 H new ATOM 738 N TRP B 44 9.508 -5.982 -13.487 1.00 8.35 N ATOM 739 CA TRP B 44 10.074 -7.205 -12.848 1.00 8.77 C ATOM 740 C TRP B 44 10.029 -7.055 -11.325 1.00 8.54 C ATOM 741 O TRP B 44 10.835 -7.620 -10.613 1.00 8.42 O ATOM 742 CB TRP B 44 11.523 -7.394 -13.301 1.00 9.35 C ATOM 743 CG TRP B 44 11.635 -7.083 -14.759 1.00 9.43 C ATOM 744 CD1 TRP B 44 11.422 -7.967 -15.760 1.00 9.66 C ATOM 745 CD2 TRP B 44 11.983 -5.819 -15.395 1.00 9.57 C ATOM 746 NE1 TRP B 44 11.618 -7.326 -16.971 1.00 9.92 N ATOM 747 CE2 TRP B 44 11.964 -6.000 -16.798 1.00 9.87 C ATOM 748 CE3 TRP B 44 12.309 -4.545 -14.896 1.00 9.70 C ATOM 749 CZ2 TRP B 44 12.259 -4.956 -17.675 1.00 10.24 C ATOM 750 CZ3 TRP B 44 12.606 -3.491 -15.776 1.00 10.08 C ATOM 751 CH2 TRP B 44 12.580 -3.696 -17.162 1.00 10.33 C ATOM 0 H TRP B 44 10.193 -5.363 -13.920 1.00 8.35 H new ATOM 0 HA TRP B 44 9.486 -8.074 -13.143 1.00 8.77 H new ATOM 0 HB2 TRP B 44 12.182 -6.742 -12.728 1.00 9.35 H new ATOM 0 HB3 TRP B 44 11.844 -8.418 -13.111 1.00 9.35 H new ATOM 0 HD1 TRP B 44 11.144 -9.003 -15.635 1.00 9.66 H new ATOM 0 HE1 TRP B 44 11.519 -7.778 -17.880 1.00 9.92 H new ATOM 0 HE3 TRP B 44 12.331 -4.376 -13.830 1.00 9.70 H new ATOM 0 HZ2 TRP B 44 12.240 -5.120 -18.742 1.00 10.24 H new ATOM 0 HZ3 TRP B 44 12.856 -2.517 -15.382 1.00 10.08 H new ATOM 0 HH2 TRP B 44 12.808 -2.881 -17.833 1.00 10.33 H new ATOM 762 N ASP B 45 9.094 -6.297 -10.820 1.00 8.75 N ATOM 763 CA ASP B 45 8.998 -6.112 -9.343 1.00 8.82 C ATOM 764 C ASP B 45 10.307 -5.519 -8.815 1.00 8.81 C ATOM 765 O ASP B 45 10.608 -5.603 -7.641 1.00 9.04 O ATOM 766 CB ASP B 45 8.743 -7.466 -8.675 1.00 9.45 C ATOM 767 CG ASP B 45 8.203 -7.246 -7.260 1.00 9.51 C ATOM 768 OD1 ASP B 45 8.543 -6.235 -6.668 1.00 9.60 O ATOM 769 OD2 ASP B 45 7.457 -8.091 -6.794 1.00 9.70 O ATOM 0 H ASP B 45 8.392 -5.798 -11.366 1.00 8.75 H new ATOM 0 HA ASP B 45 8.176 -5.434 -9.115 1.00 8.82 H new ATOM 0 HB2 ASP B 45 8.029 -8.044 -9.262 1.00 9.45 H new ATOM 0 HB3 ASP B 45 9.666 -8.044 -8.637 1.00 9.45 H new ATOM 774 N THR B 46 11.087 -4.918 -9.672 1.00 8.80 N ATOM 775 CA THR B 46 12.374 -4.319 -9.217 1.00 9.06 C ATOM 776 C THR B 46 13.128 -5.327 -8.346 1.00 9.48 C ATOM 777 O THR B 46 14.075 -4.987 -7.665 1.00 9.96 O ATOM 778 CB THR B 46 12.088 -3.055 -8.404 1.00 9.15 C ATOM 779 OG1 THR B 46 11.726 -3.418 -7.079 1.00 9.41 O ATOM 780 CG2 THR B 46 10.944 -2.276 -9.053 1.00 9.06 C ATOM 0 H THR B 46 10.889 -4.816 -10.667 1.00 8.80 H new ATOM 0 HA THR B 46 12.982 -4.064 -10.085 1.00 9.06 H new ATOM 0 HB THR B 46 12.980 -2.430 -8.378 1.00 9.15 H new ATOM 0 HG1 THR B 46 11.111 -4.181 -7.105 1.00 9.41 H new ATOM 0 HG21 THR B 46 10.741 -1.376 -8.473 1.00 9.06 H new ATOM 0 HG22 THR B 46 11.224 -1.997 -10.069 1.00 9.06 H new ATOM 0 HG23 THR B 46 10.050 -2.899 -9.081 1.00 9.06 H new ATOM 788 N ALA B 47 12.715 -6.565 -8.362 1.00 9.50 N ATOM 789 CA ALA B 47 13.408 -7.593 -7.535 1.00 10.08 C ATOM 790 C ALA B 47 13.111 -8.983 -8.099 1.00 10.02 C ATOM 791 O ALA B 47 12.124 -9.605 -7.757 1.00 10.15 O ATOM 792 CB ALA B 47 12.905 -7.510 -6.091 1.00 10.47 C ATOM 0 H ALA B 47 11.928 -6.909 -8.912 1.00 9.50 H new ATOM 0 HA ALA B 47 14.483 -7.413 -7.556 1.00 10.08 H new ATOM 0 HB1 ALA B 47 13.411 -8.262 -5.486 1.00 10.47 H new ATOM 0 HB2 ALA B 47 13.115 -6.519 -5.689 1.00 10.47 H new ATOM 0 HB3 ALA B 47 11.830 -7.690 -6.069 1.00 10.47 H new ATOM 798 N ASN B 48 13.957 -9.476 -8.962 1.00 10.03 N ATOM 799 CA ASN B 48 13.722 -10.825 -9.549 1.00 10.18 C ATOM 800 C ASN B 48 14.173 -11.900 -8.558 1.00 10.07 C ATOM 801 O ASN B 48 14.976 -12.753 -8.881 1.00 9.95 O ATOM 802 CB ASN B 48 14.519 -10.962 -10.848 1.00 10.43 C ATOM 803 CG ASN B 48 14.260 -9.745 -11.737 1.00 10.56 C ATOM 804 OD1 ASN B 48 13.787 -9.879 -12.848 1.00 10.86 O ATOM 805 ND2 ASN B 48 14.552 -8.552 -11.292 1.00 10.58 N ATOM 0 H ASN B 48 14.801 -9.003 -9.286 1.00 10.03 H new ATOM 0 HA ASN B 48 12.660 -10.949 -9.759 1.00 10.18 H new ATOM 0 HB2 ASN B 48 15.583 -11.044 -10.627 1.00 10.43 H new ATOM 0 HB3 ASN B 48 14.230 -11.875 -11.370 1.00 10.43 H new ATOM 0 HD21 ASN B 48 14.383 -7.734 -11.877 1.00 10.58 H new ATOM 0 HD22 ASN B 48 14.949 -8.439 -10.359 1.00 10.58 H new ATOM 812 N ASN B 49 13.659 -11.865 -7.356 1.00 10.31 N ATOM 813 CA ASN B 49 14.051 -12.882 -6.334 1.00 10.40 C ATOM 814 C ASN B 49 15.553 -13.177 -6.437 1.00 10.55 C ATOM 815 O ASN B 49 15.940 -14.253 -6.847 1.00 10.58 O ATOM 816 CB ASN B 49 13.260 -14.173 -6.571 1.00 10.77 C ATOM 817 CG ASN B 49 13.507 -14.674 -7.995 1.00 11.12 C ATOM 818 OD1 ASN B 49 12.923 -14.177 -8.937 1.00 11.28 O ATOM 819 ND2 ASN B 49 14.354 -15.648 -8.192 1.00 11.45 N ATOM 0 H ASN B 49 12.981 -11.173 -7.037 1.00 10.31 H new ATOM 0 HA ASN B 49 13.831 -12.493 -5.340 1.00 10.40 H new ATOM 0 HB2 ASN B 49 13.561 -14.933 -5.850 1.00 10.77 H new ATOM 0 HB3 ASN B 49 12.196 -13.992 -6.418 1.00 10.77 H new ATOM 0 HD21 ASN B 49 14.525 -15.992 -9.137 1.00 11.45 H new ATOM 0 HD22 ASN B 49 14.844 -16.065 -7.401 1.00 11.45 H new ATOM 826 N PRO B 50 16.356 -12.210 -6.066 1.00 10.85 N ATOM 827 CA PRO B 50 17.822 -12.352 -6.115 1.00 11.21 C ATOM 828 C PRO B 50 18.273 -13.495 -5.199 1.00 11.00 C ATOM 829 O PRO B 50 19.272 -14.140 -5.443 1.00 10.78 O ATOM 830 CB PRO B 50 18.368 -11.000 -5.621 1.00 11.72 C ATOM 831 CG PRO B 50 17.151 -10.089 -5.307 1.00 11.67 C ATOM 832 CD PRO B 50 15.874 -10.907 -5.572 1.00 11.08 C ATOM 0 HA PRO B 50 18.185 -12.592 -7.114 1.00 11.21 H new ATOM 0 HB2 PRO B 50 18.983 -11.137 -4.732 1.00 11.72 H new ATOM 0 HB3 PRO B 50 19.003 -10.543 -6.380 1.00 11.72 H new ATOM 0 HG2 PRO B 50 17.182 -9.753 -4.270 1.00 11.67 H new ATOM 0 HG3 PRO B 50 17.170 -9.196 -5.932 1.00 11.67 H new ATOM 0 HD2 PRO B 50 15.283 -11.023 -4.664 1.00 11.08 H new ATOM 0 HD3 PRO B 50 15.236 -10.417 -6.307 1.00 11.08 H new ATOM 840 N LEU B 51 17.540 -13.749 -4.147 1.00 11.26 N ATOM 841 CA LEU B 51 17.918 -14.849 -3.210 1.00 11.27 C ATOM 842 C LEU B 51 19.343 -14.623 -2.699 1.00 11.34 C ATOM 843 O LEU B 51 19.547 -14.171 -1.589 1.00 11.24 O ATOM 844 CB LEU B 51 17.845 -16.197 -3.940 1.00 11.44 C ATOM 845 CG LEU B 51 16.437 -16.402 -4.517 1.00 11.95 C ATOM 846 CD1 LEU B 51 16.509 -17.333 -5.730 1.00 12.24 C ATOM 847 CD2 LEU B 51 15.529 -17.030 -3.455 1.00 12.11 C ATOM 0 H LEU B 51 16.693 -13.240 -3.895 1.00 11.26 H new ATOM 0 HA LEU B 51 17.227 -14.855 -2.367 1.00 11.27 H new ATOM 0 HB2 LEU B 51 18.584 -16.227 -4.741 1.00 11.44 H new ATOM 0 HB3 LEU B 51 18.087 -17.007 -3.252 1.00 11.44 H new ATOM 0 HG LEU B 51 16.032 -15.436 -4.819 1.00 11.95 H new ATOM 0 HD11 LEU B 51 15.509 -17.477 -6.138 1.00 12.24 H new ATOM 0 HD12 LEU B 51 17.151 -16.890 -6.491 1.00 12.24 H new ATOM 0 HD13 LEU B 51 16.919 -18.296 -5.426 1.00 12.24 H new ATOM 0 HD21 LEU B 51 14.531 -17.174 -3.869 1.00 12.11 H new ATOM 0 HD22 LEU B 51 15.938 -17.993 -3.150 1.00 12.11 H new ATOM 0 HD23 LEU B 51 15.471 -16.370 -2.589 1.00 12.11 H new ATOM 859 N TYR B 52 20.329 -14.937 -3.496 1.00 11.70 N ATOM 860 CA TYR B 52 21.744 -14.743 -3.062 1.00 11.95 C ATOM 861 C TYR B 52 22.133 -15.851 -2.080 1.00 11.85 C ATOM 862 O TYR B 52 23.229 -16.372 -2.121 1.00 11.67 O ATOM 863 CB TYR B 52 21.895 -13.373 -2.385 1.00 12.45 C ATOM 864 CG TYR B 52 23.320 -12.827 -2.630 1.00 12.88 C ATOM 865 CD1 TYR B 52 23.791 -11.677 -3.353 1.00 13.07 C ATOM 866 CD2 TYR B 52 23.933 -11.932 -1.750 1.00 13.29 C ATOM 867 CE1 TYR B 52 23.437 -11.738 -1.990 1.00 13.65 C ATOM 868 CE2 TYR B 52 24.747 -11.985 -2.907 1.00 13.88 C ATOM 869 CZ TYR B 52 23.913 -13.002 -2.354 1.00 14.04 C ATOM 870 OH TYR B 52 24.168 -13.983 -1.386 1.00 14.77 O ATOM 0 H TYR B 52 20.215 -15.322 -4.434 1.00 11.70 H new ATOM 0 HA TYR B 52 22.399 -14.785 -3.932 1.00 11.95 H new ATOM 0 HB2 TYR B 52 21.155 -12.677 -2.781 1.00 12.45 H new ATOM 0 HB3 TYR B 52 21.708 -13.462 -1.315 1.00 12.45 H new ATOM 0 HD1 TYR B 52 24.140 -11.168 -4.240 1.00 13.07 H new ATOM 0 HD2 TYR B 52 23.841 -11.475 -0.776 1.00 13.29 H new ATOM 0 HE1 TYR B 52 23.041 -11.161 -1.167 1.00 13.65 H new ATOM 0 HE2 TYR B 52 25.441 -11.581 -3.629 1.00 13.88 H new ATOM 0 HH TYR B 52 24.307 -14.848 -1.825 1.00 14.77 H new ATOM 880 N LYS B 53 21.244 -16.217 -1.196 1.00 12.15 N ATOM 881 CA LYS B 53 21.567 -17.290 -0.215 1.00 12.25 C ATOM 882 C LYS B 53 20.301 -17.684 0.548 1.00 11.94 C ATOM 883 O LYS B 53 20.323 -17.883 1.746 1.00 11.92 O ATOM 884 CB LYS B 53 22.622 -16.779 0.772 1.00 12.83 C ATOM 885 CG LYS B 53 23.287 -17.966 1.474 1.00 13.02 C ATOM 886 CD LYS B 53 24.033 -17.474 2.716 1.00 13.52 C ATOM 887 CE LYS B 53 25.031 -16.387 2.315 1.00 13.94 C ATOM 888 NZ LYS B 53 25.734 -16.794 1.066 1.00 14.39 N ATOM 0 H LYS B 53 20.309 -15.819 -1.112 1.00 12.15 H new ATOM 0 HA LYS B 53 21.956 -18.160 -0.744 1.00 12.25 H new ATOM 0 HB2 LYS B 53 23.372 -16.189 0.245 1.00 12.83 H new ATOM 0 HB3 LYS B 53 22.158 -16.122 1.508 1.00 12.83 H new ATOM 0 HG2 LYS B 53 22.535 -18.702 1.757 1.00 13.02 H new ATOM 0 HG3 LYS B 53 23.979 -18.463 0.794 1.00 13.02 H new ATOM 0 HD2 LYS B 53 23.326 -17.081 3.446 1.00 13.52 H new ATOM 0 HD3 LYS B 53 24.555 -18.304 3.192 1.00 13.52 H new ATOM 0 HE2 LYS B 53 24.512 -15.441 2.161 1.00 13.94 H new ATOM 0 HE3 LYS B 53 25.753 -16.228 3.116 1.00 13.94 H new ATOM 0 HZ1 LYS B 53 26.635 -16.281 0.992 1.00 14.39 H new ATOM 0 HZ2 LYS B 53 25.919 -17.817 1.090 1.00 14.39 H new ATOM 0 HZ3 LYS B 53 25.139 -16.569 0.243 1.00 14.39 H new ATOM 902 N GLU B 54 19.195 -17.801 -0.137 1.00 11.88 N ATOM 903 CA GLU B 54 17.928 -18.183 0.549 1.00 11.77 C ATOM 904 C GLU B 54 17.787 -19.707 0.541 1.00 11.97 C ATOM 905 O GLU B 54 17.321 -20.302 1.493 1.00 12.21 O ATOM 906 CB GLU B 54 16.741 -17.556 -0.188 1.00 11.75 C ATOM 907 CG GLU B 54 15.503 -17.574 0.713 1.00 12.07 C ATOM 908 CD GLU B 54 15.037 -19.017 0.915 1.00 11.82 C ATOM 909 OE1 GLU B 54 14.927 -19.726 -0.071 1.00 11.76 O ATOM 910 OE2 GLU B 54 14.797 -19.388 2.052 1.00 11.86 O ATOM 0 H GLU B 54 19.115 -17.648 -1.142 1.00 11.88 H new ATOM 0 HA GLU B 54 17.947 -17.824 1.578 1.00 11.77 H new ATOM 0 HB2 GLU B 54 16.979 -16.532 -0.474 1.00 11.75 H new ATOM 0 HB3 GLU B 54 16.541 -18.106 -1.108 1.00 11.75 H new ATOM 0 HG2 GLU B 54 15.734 -17.118 1.675 1.00 12.07 H new ATOM 0 HG3 GLU B 54 14.705 -16.983 0.264 1.00 12.07 H new ATOM 917 N ALA B 55 18.185 -20.343 -0.526 1.00 12.03 N ATOM 918 CA ALA B 55 18.074 -21.828 -0.594 1.00 12.38 C ATOM 919 C ALA B 55 18.691 -22.444 0.664 1.00 12.57 C ATOM 920 O ALA B 55 17.995 -22.840 1.577 1.00 12.58 O ATOM 921 CB ALA B 55 18.817 -22.339 -1.831 1.00 12.67 C ATOM 0 H ALA B 55 18.582 -19.899 -1.354 1.00 12.03 H new ATOM 0 HA ALA B 55 17.024 -22.112 -0.659 1.00 12.38 H new ATOM 0 HB1 ALA B 55 18.736 -23.425 -1.881 1.00 12.67 H new ATOM 0 HB2 ALA B 55 18.377 -21.901 -2.727 1.00 12.67 H new ATOM 0 HB3 ALA B 55 19.868 -22.056 -1.767 1.00 12.67 H new ATOM 927 N THR B 56 19.992 -22.528 0.716 1.00 12.89 N ATOM 928 CA THR B 56 20.651 -23.119 1.915 1.00 13.24 C ATOM 929 C THR B 56 20.371 -22.242 3.136 1.00 13.28 C ATOM 930 O THR B 56 21.242 -21.558 3.636 1.00 13.26 O ATOM 931 CB THR B 56 22.162 -23.197 1.680 1.00 13.62 C ATOM 932 OG1 THR B 56 22.620 -21.965 1.142 1.00 13.78 O ATOM 933 CG2 THR B 56 22.469 -24.331 0.698 1.00 13.80 C ATOM 0 H THR B 56 20.626 -22.214 -0.018 1.00 12.89 H new ATOM 0 HA THR B 56 20.257 -24.120 2.089 1.00 13.24 H new ATOM 0 HB THR B 56 22.668 -23.391 2.626 1.00 13.62 H new ATOM 0 HG1 THR B 56 22.421 -21.240 1.770 1.00 13.78 H new ATOM 0 HG21 THR B 56 23.545 -24.386 0.531 1.00 13.80 H new ATOM 0 HG22 THR B 56 22.117 -25.276 1.112 1.00 13.80 H new ATOM 0 HG23 THR B 56 21.964 -24.139 -0.249 1.00 13.80 H new ATOM 941 N SER B 57 19.159 -22.254 3.621 1.00 13.50 N ATOM 942 CA SER B 57 18.823 -21.420 4.809 1.00 13.73 C ATOM 943 C SER B 57 19.772 -21.764 5.959 1.00 13.73 C ATOM 944 O SER B 57 19.896 -21.025 6.916 1.00 13.92 O ATOM 945 CB SER B 57 17.382 -21.700 5.236 1.00 14.07 C ATOM 946 OG SER B 57 17.190 -21.245 6.570 1.00 14.41 O ATOM 0 H SER B 57 18.387 -22.805 3.246 1.00 13.50 H new ATOM 0 HA SER B 57 18.929 -20.365 4.555 1.00 13.73 H new ATOM 0 HB2 SER B 57 16.687 -21.196 4.564 1.00 14.07 H new ATOM 0 HB3 SER B 57 17.172 -22.768 5.170 1.00 14.07 H new ATOM 0 HG SER B 57 16.266 -21.422 6.846 1.00 14.41 H new ATOM 952 N THR B 58 20.442 -22.881 5.874 1.00 13.67 N ATOM 953 CA THR B 58 21.382 -23.269 6.963 1.00 13.80 C ATOM 954 C THR B 58 22.694 -22.500 6.803 1.00 13.65 C ATOM 955 O THR B 58 23.627 -22.967 6.180 1.00 13.54 O ATOM 956 CB THR B 58 21.659 -24.773 6.886 1.00 13.91 C ATOM 957 OG1 THR B 58 20.427 -25.480 6.869 1.00 13.93 O ATOM 958 CG2 THR B 58 22.483 -25.205 8.099 1.00 14.29 C ATOM 0 H THR B 58 20.379 -23.541 5.099 1.00 13.67 H new ATOM 0 HA THR B 58 20.937 -23.030 7.929 1.00 13.80 H new ATOM 0 HB THR B 58 22.216 -24.994 5.976 1.00 13.91 H new ATOM 0 HG1 THR B 58 20.603 -26.443 6.818 1.00 13.93 H new ATOM 0 HG21 THR B 58 22.679 -26.276 8.043 1.00 14.29 H new ATOM 0 HG22 THR B 58 23.428 -24.663 8.108 1.00 14.29 H new ATOM 0 HG23 THR B 58 21.929 -24.985 9.012 1.00 14.29 H new ATOM 966 N PHE B 59 22.776 -21.323 7.362 1.00 13.79 N ATOM 967 CA PHE B 59 24.029 -20.527 7.241 1.00 13.81 C ATOM 968 C PHE B 59 25.109 -21.138 8.135 1.00 13.90 C ATOM 969 O PHE B 59 25.922 -20.441 8.709 1.00 14.17 O ATOM 970 CB PHE B 59 23.759 -19.085 7.678 1.00 14.00 C ATOM 971 CG PHE B 59 22.919 -19.087 8.933 1.00 14.20 C ATOM 972 CD1 PHE B 59 23.535 -19.165 10.187 1.00 14.48 C ATOM 973 CD2 PHE B 59 21.524 -19.012 8.841 1.00 14.27 C ATOM 974 CE1 PHE B 59 22.756 -19.167 11.351 1.00 14.82 C ATOM 975 CE2 PHE B 59 20.745 -19.013 10.005 1.00 14.64 C ATOM 976 CZ PHE B 59 21.361 -19.091 11.259 1.00 14.92 C ATOM 0 H PHE B 59 22.029 -20.879 7.897 1.00 13.79 H new ATOM 0 HA PHE B 59 24.368 -20.536 6.205 1.00 13.81 H new ATOM 0 HB2 PHE B 59 24.701 -18.566 7.859 1.00 14.00 H new ATOM 0 HB3 PHE B 59 23.244 -18.544 6.884 1.00 14.00 H new ATOM 0 HD1 PHE B 59 24.611 -19.224 10.257 1.00 14.48 H new ATOM 0 HD2 PHE B 59 21.049 -18.953 7.873 1.00 14.27 H new ATOM 0 HE1 PHE B 59 23.231 -19.227 12.319 1.00 14.82 H new ATOM 0 HE2 PHE B 59 19.669 -18.954 9.935 1.00 14.64 H new ATOM 0 HZ PHE B 59 20.760 -19.093 12.156 1.00 14.92 H new ATOM 986 N THR B 60 25.125 -22.438 8.258 1.00 13.82 N ATOM 987 CA THR B 60 26.153 -23.096 9.113 1.00 14.02 C ATOM 988 C THR B 60 26.051 -22.555 10.541 1.00 13.89 C ATOM 989 O THR B 60 25.503 -21.496 10.778 1.00 13.81 O ATOM 990 CB THR B 60 27.548 -22.802 8.554 1.00 14.42 C ATOM 991 OG1 THR B 60 27.532 -22.955 7.142 1.00 14.37 O ATOM 992 CG2 THR B 60 28.560 -23.775 9.162 1.00 15.03 C ATOM 0 H THR B 60 24.469 -23.073 7.802 1.00 13.82 H new ATOM 0 HA THR B 60 25.984 -24.173 9.119 1.00 14.02 H new ATOM 0 HB THR B 60 27.833 -21.781 8.807 1.00 14.42 H new ATOM 0 HG1 THR B 60 28.424 -22.766 6.782 1.00 14.37 H new ATOM 0 HG21 THR B 60 29.552 -23.564 8.763 1.00 15.03 H new ATOM 0 HG22 THR B 60 28.572 -23.657 10.246 1.00 15.03 H new ATOM 0 HG23 THR B 60 28.278 -24.797 8.911 1.00 15.03 H new ATOM 1000 N ASN B 61 26.573 -23.275 11.496 1.00 14.02 N ATOM 1001 CA ASN B 61 26.506 -22.803 12.909 1.00 14.05 C ATOM 1002 C ASN B 61 27.639 -21.809 13.170 1.00 14.06 C ATOM 1003 O ASN B 61 28.429 -21.980 14.076 1.00 13.98 O ATOM 1004 CB ASN B 61 26.648 -23.999 13.853 1.00 14.20 C ATOM 1005 CG ASN B 61 26.408 -23.543 15.294 1.00 14.55 C ATOM 1006 OD1 ASN B 61 27.223 -23.779 16.162 1.00 14.82 O ATOM 1007 ND2 ASN B 61 25.314 -22.895 15.586 1.00 14.73 N ATOM 0 H ASN B 61 27.043 -24.170 11.359 1.00 14.02 H new ATOM 0 HA ASN B 61 25.548 -22.314 13.084 1.00 14.05 H new ATOM 0 HB2 ASN B 61 25.933 -24.776 13.582 1.00 14.20 H new ATOM 0 HB3 ASN B 61 27.643 -24.434 13.759 1.00 14.20 H new ATOM 0 HD21 ASN B 61 25.144 -22.587 16.543 1.00 14.73 H new ATOM 0 HD22 ASN B 61 24.629 -22.696 14.857 1.00 14.73 H new ATOM 1014 N ILE B 62 27.724 -20.773 12.381 1.00 14.31 N ATOM 1015 CA ILE B 62 28.807 -19.767 12.583 1.00 14.47 C ATOM 1016 C ILE B 62 30.165 -20.474 12.588 1.00 14.45 C ATOM 1017 O ILE B 62 31.191 -19.867 12.824 1.00 14.58 O ATOM 1018 CB ILE B 62 28.593 -19.048 13.919 1.00 14.77 C ATOM 1019 CG1 ILE B 62 27.187 -18.441 13.950 1.00 15.05 C ATOM 1020 CG2 ILE B 62 29.634 -17.934 14.081 1.00 14.99 C ATOM 1021 CD1 ILE B 62 26.857 -17.988 15.374 1.00 15.21 C ATOM 0 H ILE B 62 27.091 -20.579 11.605 1.00 14.31 H new ATOM 0 HA ILE B 62 28.784 -19.037 11.774 1.00 14.47 H new ATOM 0 HB ILE B 62 28.702 -19.763 14.735 1.00 14.77 H new ATOM 0 HG12 ILE B 62 27.130 -17.595 13.265 1.00 15.05 H new ATOM 0 HG13 ILE B 62 26.455 -19.175 13.612 1.00 15.05 H new ATOM 0 HG21 ILE B 62 29.478 -17.426 15.032 1.00 14.99 H new ATOM 0 HG22 ILE B 62 30.635 -18.365 14.060 1.00 14.99 H new ATOM 0 HG23 ILE B 62 29.530 -17.218 13.266 1.00 14.99 H new ATOM 0 HD11 ILE B 62 25.856 -17.556 15.396 1.00 15.21 H new ATOM 0 HD12 ILE B 62 26.897 -18.845 16.047 1.00 15.21 H new ATOM 0 HD13 ILE B 62 27.582 -17.240 15.695 1.00 15.21 H new ATOM 1033 N THR B 63 30.182 -21.753 12.326 1.00 14.44 N ATOM 1034 CA THR B 63 31.474 -22.494 12.315 1.00 14.56 C ATOM 1035 C THR B 63 32.171 -22.285 10.968 1.00 14.69 C ATOM 1036 O THR B 63 32.537 -23.228 10.295 1.00 14.89 O ATOM 1037 CB THR B 63 31.208 -23.987 12.526 1.00 14.57 C ATOM 1038 OG1 THR B 63 30.265 -24.153 13.576 1.00 14.78 O ATOM 1039 CG2 THR B 63 32.513 -24.694 12.893 1.00 14.72 C ATOM 0 H THR B 63 29.357 -22.316 12.119 1.00 14.44 H new ATOM 0 HA THR B 63 32.113 -22.122 13.116 1.00 14.56 H new ATOM 0 HB THR B 63 30.811 -24.419 11.608 1.00 14.57 H new ATOM 0 HG1 THR B 63 29.706 -23.351 13.644 1.00 14.78 H new ATOM 0 HG21 THR B 63 32.322 -25.757 13.043 1.00 14.72 H new ATOM 0 HG22 THR B 63 33.236 -24.566 12.087 1.00 14.72 H new ATOM 0 HG23 THR B 63 32.914 -24.265 13.811 1.00 14.72 H new ATOM 1047 N TYR B 64 32.355 -21.057 10.570 1.00 14.71 N ATOM 1048 CA TYR B 64 33.026 -20.789 9.266 1.00 14.97 C ATOM 1049 C TYR B 64 34.490 -21.242 9.342 1.00 15.03 C ATOM 1050 O TYR B 64 34.790 -22.414 9.231 1.00 15.22 O ATOM 1051 CB TYR B 64 32.950 -19.287 8.943 1.00 15.05 C ATOM 1052 CG TYR B 64 32.755 -18.488 10.213 1.00 15.06 C ATOM 1053 CD1 TYR B 64 33.461 -18.822 11.377 1.00 15.32 C ATOM 1054 CD2 TYR B 64 31.863 -17.407 10.226 1.00 14.98 C ATOM 1055 CE1 TYR B 64 33.277 -18.077 12.548 1.00 15.52 C ATOM 1056 CE2 TYR B 64 31.679 -16.663 11.397 1.00 15.15 C ATOM 1057 CZ TYR B 64 32.385 -16.997 12.558 1.00 15.44 C ATOM 1058 OH TYR B 64 32.203 -16.263 13.712 1.00 15.78 O ATOM 0 H TYR B 64 32.070 -20.227 11.091 1.00 14.71 H new ATOM 0 HA TYR B 64 32.522 -21.344 8.475 1.00 14.97 H new ATOM 0 HB2 TYR B 64 33.864 -18.969 8.441 1.00 15.05 H new ATOM 0 HB3 TYR B 64 32.126 -19.097 8.255 1.00 15.05 H new ATOM 0 HD1 TYR B 64 34.148 -19.655 11.371 1.00 15.32 H new ATOM 0 HD2 TYR B 64 31.317 -17.148 9.331 1.00 14.98 H new ATOM 0 HE1 TYR B 64 33.823 -18.335 13.444 1.00 15.52 H new ATOM 0 HE2 TYR B 64 30.991 -15.830 11.405 1.00 15.15 H new ATOM 0 HH TYR B 64 31.552 -15.550 13.547 1.00 15.78 H new ATOM 1068 N ARG B 65 35.403 -20.328 9.531 1.00 15.02 N ATOM 1069 CA ARG B 65 36.839 -20.715 9.612 1.00 15.23 C ATOM 1070 C ARG B 65 37.251 -21.397 8.303 1.00 15.42 C ATOM 1071 O ARG B 65 36.431 -21.936 7.587 1.00 15.75 O ATOM 1072 CB ARG B 65 37.041 -21.660 10.815 1.00 15.21 C ATOM 1073 CG ARG B 65 37.553 -23.036 10.360 1.00 15.63 C ATOM 1074 CD ARG B 65 37.719 -23.954 11.579 1.00 15.88 C ATOM 1075 NE ARG B 65 38.997 -24.724 11.468 1.00 16.17 N ATOM 1076 CZ ARG B 65 39.353 -25.281 10.339 1.00 16.69 C ATOM 1077 NH1 ARG B 65 38.557 -25.251 9.307 1.00 16.81 N ATOM 1078 NH2 ARG B 65 40.502 -25.893 10.252 1.00 17.17 N ATOM 0 H ARG B 65 35.216 -19.331 9.633 1.00 15.02 H new ATOM 0 HA ARG B 65 37.463 -19.833 9.755 1.00 15.23 H new ATOM 0 HB2 ARG B 65 37.751 -21.217 11.513 1.00 15.21 H new ATOM 0 HB3 ARG B 65 36.099 -21.778 11.350 1.00 15.21 H new ATOM 0 HG2 ARG B 65 36.853 -23.479 9.651 1.00 15.63 H new ATOM 0 HG3 ARG B 65 38.506 -22.927 9.842 1.00 15.63 H new ATOM 0 HD2 ARG B 65 37.720 -23.361 12.494 1.00 15.88 H new ATOM 0 HD3 ARG B 65 36.875 -24.641 11.645 1.00 15.88 H new ATOM 0 HE ARG B 65 39.600 -24.816 12.285 1.00 16.17 H new ATOM 0 HH11 ARG B 65 37.649 -24.791 9.376 1.00 16.81 H new ATOM 0 HH12 ARG B 65 38.842 -25.688 8.430 1.00 16.81 H new ATOM 0 HH21 ARG B 65 41.120 -25.936 11.063 1.00 17.17 H new ATOM 0 HH22 ARG B 65 40.783 -26.328 9.373 1.00 17.17 H new ATOM 1092 N GLY B 66 38.518 -21.377 7.986 1.00 15.38 N ATOM 1093 CA GLY B 66 38.980 -22.024 6.726 1.00 15.73 C ATOM 1094 C GLY B 66 40.508 -22.076 6.709 1.00 15.90 C ATOM 1095 O GLY B 66 41.172 -21.077 6.517 1.00 16.04 O ATOM 0 H GLY B 66 39.251 -20.941 8.545 1.00 15.38 H new ATOM 0 HA2 GLY B 66 38.571 -23.031 6.651 1.00 15.73 H new ATOM 0 HA3 GLY B 66 38.615 -21.466 5.863 1.00 15.73 H new ATOM 1099 N THR B 67 41.073 -23.236 6.910 1.00 16.02 N ATOM 1100 CA THR B 67 42.559 -23.351 6.905 1.00 16.35 C ATOM 1101 C THR B 67 43.155 -22.308 7.853 1.00 16.55 C ATOM 1102 O THR B 67 42.390 -21.678 8.564 1.00 16.80 O ATOM 1103 CB THR B 67 43.085 -23.112 5.488 1.00 16.64 C ATOM 1104 OG1 THR B 67 43.131 -21.714 5.231 1.00 16.78 O ATOM 1105 CG2 THR B 67 42.159 -23.787 4.476 1.00 16.78 C ATOM 1106 OXT THR B 67 44.365 -22.158 7.852 1.00 16.58 O ATOM 0 H THR B 67 40.570 -24.108 7.077 1.00 16.02 H new ATOM 0 HA THR B 67 42.847 -24.349 7.236 1.00 16.35 H new ATOM 0 HB THR B 67 44.086 -23.533 5.397 1.00 16.64 H new ATOM 0 HG1 THR B 67 42.235 -21.332 5.339 1.00 16.78 H new ATOM 0 HG21 THR B 67 42.535 -23.616 3.468 1.00 16.78 H new ATOM 0 HG22 THR B 67 42.124 -24.858 4.673 1.00 16.78 H new ATOM 0 HG23 THR B 67 41.156 -23.369 4.565 1.00 16.78 H new TER 1114 THR B 67