USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 580 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 2 ASN : amide:sc= -0.582 K(o=-0.58,f=-4.6!) USER MOD Set 1.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.101 (180deg=-0.35) USER MOD Single : A 1 MET N :NH3+ -121:sc= 1.66 (180deg=-0.639!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.4 K(o=0.4,f=-0.26) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= 1.31 (180deg=0.639) USER MOD Single : A 10 SER OG : rot 52:sc= -0.0843 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0.36 K(o=0.36,f=-0.92) USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.249 USER MOD Single : A 25 SER OG : rot 164:sc= 0.485 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN :FLIP amide:sc= -0.953 F(o=-2.3!,f=-0.95) USER MOD Single : A 52 THR OG1 : rot 76:sc= 0.879 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= -0.0275 (180deg=-0.242) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0318 (180deg=-0.193) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -0.0168 F(o=-0.59,f=-0.017) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.1) USER MOD Single : A 77 HIS : no HE2:sc= -0.939 K(o=-0.94,f=-3.6!) USER MOD Single : A 78 HIS : no HE2:sc= 0.154 K(o=0.15,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.980 -11.152 -2.907 1.00 14.42 N ATOM 2 CA MET A 1 -2.426 -10.708 -1.594 1.00 14.30 C ATOM 3 C MET A 1 -2.990 -9.343 -1.162 1.00 54.44 C ATOM 4 O MET A 1 -3.569 -8.613 -1.965 1.00 70.41 O ATOM 5 CB MET A 1 -0.895 -10.626 -1.660 1.00 52.33 C ATOM 6 CG MET A 1 -0.374 -9.699 -2.749 1.00 45.43 C ATOM 7 SD MET A 1 -0.672 -10.341 -4.407 1.00 4.13 S ATOM 8 CE MET A 1 0.425 -9.306 -5.376 1.00 33.11 C ATOM 0 H1 MET A 1 -3.465 -12.064 -2.788 1.00 14.42 H new ATOM 0 H2 MET A 1 -3.656 -10.443 -3.256 1.00 14.42 H new ATOM 0 H3 MET A 1 -2.205 -11.258 -3.593 1.00 14.42 H new ATOM 0 HA MET A 1 -2.726 -11.450 -0.854 1.00 14.30 H new ATOM 0 HB2 MET A 1 -0.517 -10.286 -0.696 1.00 52.33 H new ATOM 0 HB3 MET A 1 -0.494 -11.626 -1.825 1.00 52.33 H new ATOM 0 HG2 MET A 1 -0.851 -8.724 -2.650 1.00 45.43 H new ATOM 0 HG3 MET A 1 0.696 -9.546 -2.610 1.00 45.43 H new ATOM 0 HE1 MET A 1 0.190 -9.418 -6.434 1.00 33.11 H new ATOM 0 HE2 MET A 1 0.295 -8.264 -5.083 1.00 33.11 H new ATOM 0 HE3 MET A 1 1.458 -9.606 -5.200 1.00 33.11 H new ATOM 20 N ASN A 2 -2.806 -9.007 0.114 1.00 23.45 N ATOM 21 CA ASN A 2 -3.222 -7.709 0.668 1.00 30.44 C ATOM 22 C ASN A 2 -2.034 -6.736 0.730 1.00 73.44 C ATOM 23 O ASN A 2 -0.946 -7.107 1.165 1.00 65.30 O ATOM 24 CB ASN A 2 -3.800 -7.897 2.078 1.00 72.14 C ATOM 25 CG ASN A 2 -5.030 -8.789 2.103 1.00 33.40 C ATOM 26 OD1 ASN A 2 -5.194 -9.673 1.268 1.00 21.20 O ATOM 27 ND2 ASN A 2 -5.898 -8.571 3.067 1.00 41.42 N ATOM 0 H ASN A 2 -2.365 -9.623 0.797 1.00 23.45 H new ATOM 0 HA ASN A 2 -3.986 -7.291 0.013 1.00 30.44 H new ATOM 0 HB2 ASN A 2 -3.034 -8.326 2.724 1.00 72.14 H new ATOM 0 HB3 ASN A 2 -4.057 -6.922 2.492 1.00 72.14 H new ATOM 0 HD21 ASN A 2 -6.738 -9.145 3.136 1.00 41.42 H new ATOM 0 HD22 ASN A 2 -5.731 -7.828 3.745 1.00 41.42 H new ATOM 34 N LEU A 3 -2.242 -5.494 0.296 1.00 40.32 N ATOM 35 CA LEU A 3 -1.173 -4.480 0.299 1.00 11.35 C ATOM 36 C LEU A 3 -1.613 -3.206 1.034 1.00 50.32 C ATOM 37 O LEU A 3 -2.713 -2.704 0.818 1.00 21.14 O ATOM 38 CB LEU A 3 -0.754 -4.099 -1.136 1.00 74.10 C ATOM 39 CG LEU A 3 -0.151 -5.219 -2.010 1.00 2.32 C ATOM 40 CD1 LEU A 3 0.945 -5.973 -1.260 1.00 61.04 C ATOM 41 CD2 LEU A 3 -1.234 -6.169 -2.518 1.00 74.02 C ATOM 0 H LEU A 3 -3.137 -5.160 -0.063 1.00 40.32 H new ATOM 0 HA LEU A 3 -0.325 -4.925 0.819 1.00 11.35 H new ATOM 0 HB2 LEU A 3 -1.629 -3.702 -1.650 1.00 74.10 H new ATOM 0 HB3 LEU A 3 -0.027 -3.290 -1.073 1.00 74.10 H new ATOM 0 HG LEU A 3 0.308 -4.751 -2.881 1.00 2.32 H new ATOM 0 HD11 LEU A 3 1.351 -6.756 -1.900 1.00 61.04 H new ATOM 0 HD12 LEU A 3 1.740 -5.280 -0.985 1.00 61.04 H new ATOM 0 HD13 LEU A 3 0.527 -6.422 -0.359 1.00 61.04 H new ATOM 0 HD21 LEU A 3 -0.778 -6.947 -3.130 1.00 74.02 H new ATOM 0 HD22 LEU A 3 -1.743 -6.627 -1.670 1.00 74.02 H new ATOM 0 HD23 LEU A 3 -1.955 -5.612 -3.117 1.00 74.02 H new ATOM 53 N THR A 4 -0.745 -2.673 1.888 1.00 13.51 N ATOM 54 CA THR A 4 -1.024 -1.408 2.577 1.00 41.02 C ATOM 55 C THR A 4 -0.639 -0.216 1.684 1.00 33.12 C ATOM 56 O THR A 4 0.414 0.400 1.860 1.00 74.11 O ATOM 57 CB THR A 4 -0.266 -1.308 3.925 1.00 24.34 C ATOM 58 OG1 THR A 4 -0.407 -2.531 4.665 1.00 72.42 O ATOM 59 CG2 THR A 4 -0.784 -0.145 4.769 1.00 40.11 C ATOM 0 H THR A 4 0.155 -3.092 2.122 1.00 13.51 H new ATOM 0 HA THR A 4 -2.094 -1.382 2.784 1.00 41.02 H new ATOM 0 HB THR A 4 0.786 -1.132 3.700 1.00 24.34 H new ATOM 0 HG1 THR A 4 0.077 -2.457 5.514 1.00 72.42 H new ATOM 0 HG21 THR A 4 -0.232 -0.102 5.708 1.00 40.11 H new ATOM 0 HG22 THR A 4 -0.647 0.789 4.224 1.00 40.11 H new ATOM 0 HG23 THR A 4 -1.844 -0.291 4.978 1.00 40.11 H new ATOM 67 N VAL A 5 -1.492 0.091 0.711 1.00 14.34 N ATOM 68 CA VAL A 5 -1.197 1.127 -0.285 1.00 11.11 C ATOM 69 C VAL A 5 -1.479 2.540 0.255 1.00 24.45 C ATOM 70 O VAL A 5 -2.592 2.846 0.679 1.00 45.05 O ATOM 71 CB VAL A 5 -1.995 0.887 -1.598 1.00 32.22 C ATOM 72 CG1 VAL A 5 -3.502 0.870 -1.338 1.00 63.44 C ATOM 73 CG2 VAL A 5 -1.630 1.932 -2.653 1.00 10.42 C ATOM 0 H VAL A 5 -2.397 -0.362 0.587 1.00 14.34 H new ATOM 0 HA VAL A 5 -0.132 1.058 -0.505 1.00 11.11 H new ATOM 0 HB VAL A 5 -1.718 -0.094 -1.983 1.00 32.22 H new ATOM 0 HG11 VAL A 5 -4.031 0.700 -2.276 1.00 63.44 H new ATOM 0 HG12 VAL A 5 -3.741 0.071 -0.637 1.00 63.44 H new ATOM 0 HG13 VAL A 5 -3.809 1.827 -0.916 1.00 63.44 H new ATOM 0 HG21 VAL A 5 -2.200 1.745 -3.563 1.00 10.42 H new ATOM 0 HG22 VAL A 5 -1.865 2.927 -2.276 1.00 10.42 H new ATOM 0 HG23 VAL A 5 -0.564 1.870 -2.873 1.00 10.42 H new ATOM 83 N ASN A 6 -0.448 3.392 0.255 1.00 72.34 N ATOM 84 CA ASN A 6 -0.570 4.783 0.730 1.00 53.30 C ATOM 85 C ASN A 6 -0.983 4.844 2.215 1.00 5.43 C ATOM 86 O ASN A 6 -1.454 5.879 2.696 1.00 24.15 O ATOM 87 CB ASN A 6 -1.597 5.553 -0.119 1.00 53.30 C ATOM 88 CG ASN A 6 -1.289 5.540 -1.608 1.00 72.44 C ATOM 89 OD1 ASN A 6 -2.193 5.511 -2.435 1.00 3.14 O ATOM 90 ND2 ASN A 6 -0.024 5.587 -1.972 1.00 13.51 N ATOM 0 H ASN A 6 0.487 3.145 -0.070 1.00 72.34 H new ATOM 0 HA ASN A 6 0.411 5.247 0.628 1.00 53.30 H new ATOM 0 HB2 ASN A 6 -2.585 5.122 0.043 1.00 53.30 H new ATOM 0 HB3 ASN A 6 -1.639 6.586 0.226 1.00 53.30 H new ATOM 0 HD21 ASN A 6 0.222 5.600 -2.962 1.00 13.51 H new ATOM 0 HD22 ASN A 6 0.710 5.610 -1.264 1.00 13.51 H new ATOM 97 N GLY A 7 -0.799 3.738 2.935 1.00 33.05 N ATOM 98 CA GLY A 7 -1.232 3.659 4.329 1.00 4.41 C ATOM 99 C GLY A 7 -2.609 3.012 4.494 1.00 23.14 C ATOM 100 O GLY A 7 -3.083 2.827 5.617 1.00 22.41 O ATOM 0 H GLY A 7 -0.357 2.891 2.579 1.00 33.05 H new ATOM 0 HA2 GLY A 7 -0.499 3.089 4.899 1.00 4.41 H new ATOM 0 HA3 GLY A 7 -1.256 4.663 4.753 1.00 4.41 H new ATOM 104 N LYS A 8 -3.252 2.672 3.376 1.00 1.25 N ATOM 105 CA LYS A 8 -4.580 2.039 3.390 1.00 54.30 C ATOM 106 C LYS A 8 -4.487 0.555 2.980 1.00 32.04 C ATOM 107 O LYS A 8 -3.845 0.217 1.984 1.00 10.15 O ATOM 108 CB LYS A 8 -5.549 2.776 2.443 1.00 64.55 C ATOM 109 CG LYS A 8 -5.811 4.243 2.805 1.00 42.35 C ATOM 110 CD LYS A 8 -4.624 5.146 2.472 1.00 41.25 C ATOM 111 CE LYS A 8 -4.875 6.592 2.882 1.00 42.30 C ATOM 112 NZ LYS A 8 -3.698 7.456 2.598 1.00 54.44 N ATOM 0 H LYS A 8 -2.875 2.824 2.441 1.00 1.25 H new ATOM 0 HA LYS A 8 -4.963 2.101 4.408 1.00 54.30 H new ATOM 0 HB2 LYS A 8 -5.148 2.732 1.430 1.00 64.55 H new ATOM 0 HB3 LYS A 8 -6.500 2.244 2.433 1.00 64.55 H new ATOM 0 HG2 LYS A 8 -6.693 4.595 2.270 1.00 42.35 H new ATOM 0 HG3 LYS A 8 -6.033 4.318 3.869 1.00 42.35 H new ATOM 0 HD2 LYS A 8 -3.733 4.775 2.978 1.00 41.25 H new ATOM 0 HD3 LYS A 8 -4.424 5.102 1.401 1.00 41.25 H new ATOM 0 HE2 LYS A 8 -5.745 6.976 2.349 1.00 42.30 H new ATOM 0 HE3 LYS A 8 -5.109 6.633 3.946 1.00 42.30 H new ATOM 0 HZ1 LYS A 8 -3.701 8.270 3.245 1.00 54.44 H new ATOM 0 HZ2 LYS A 8 -2.824 6.908 2.734 1.00 54.44 H new ATOM 0 HZ3 LYS A 8 -3.745 7.795 1.616 1.00 54.44 H new ATOM 126 N PRO A 9 -5.133 -0.354 3.735 1.00 5.25 N ATOM 127 CA PRO A 9 -5.064 -1.798 3.465 1.00 31.04 C ATOM 128 C PRO A 9 -5.978 -2.255 2.308 1.00 33.00 C ATOM 129 O PRO A 9 -7.182 -2.459 2.484 1.00 21.32 O ATOM 130 CB PRO A 9 -5.507 -2.415 4.795 1.00 53.50 C ATOM 131 CG PRO A 9 -6.435 -1.408 5.395 1.00 2.24 C ATOM 132 CD PRO A 9 -5.977 -0.050 4.910 1.00 23.25 C ATOM 0 HA PRO A 9 -4.069 -2.101 3.141 1.00 31.04 H new ATOM 0 HB2 PRO A 9 -6.008 -3.371 4.640 1.00 53.50 H new ATOM 0 HB3 PRO A 9 -4.654 -2.604 5.447 1.00 53.50 H new ATOM 0 HG2 PRO A 9 -7.464 -1.601 5.091 1.00 2.24 H new ATOM 0 HG3 PRO A 9 -6.410 -1.459 6.484 1.00 2.24 H new ATOM 0 HD2 PRO A 9 -6.822 0.583 4.641 1.00 23.25 H new ATOM 0 HD3 PRO A 9 -5.414 0.479 5.679 1.00 23.25 H new ATOM 140 N SER A 10 -5.392 -2.394 1.120 1.00 41.40 N ATOM 141 CA SER A 10 -6.111 -2.907 -0.059 1.00 44.24 C ATOM 142 C SER A 10 -5.824 -4.403 -0.275 1.00 21.02 C ATOM 143 O SER A 10 -5.062 -5.018 0.475 1.00 21.12 O ATOM 144 CB SER A 10 -5.723 -2.113 -1.316 1.00 31.04 C ATOM 145 OG SER A 10 -6.429 -2.573 -2.461 1.00 0.13 O ATOM 0 H SER A 10 -4.416 -2.159 0.942 1.00 41.40 H new ATOM 0 HA SER A 10 -7.179 -2.783 0.123 1.00 44.24 H new ATOM 0 HB2 SER A 10 -5.933 -1.055 -1.159 1.00 31.04 H new ATOM 0 HB3 SER A 10 -4.650 -2.203 -1.488 1.00 31.04 H new ATOM 0 HG SER A 10 -7.389 -2.592 -2.267 1.00 0.13 H new ATOM 151 N THR A 11 -6.428 -4.991 -1.308 1.00 10.40 N ATOM 152 CA THR A 11 -6.282 -6.431 -1.570 1.00 62.34 C ATOM 153 C THR A 11 -6.381 -6.759 -3.067 1.00 73.21 C ATOM 154 O THR A 11 -7.388 -6.462 -3.713 1.00 11.22 O ATOM 155 CB THR A 11 -7.361 -7.255 -0.817 1.00 34.11 C ATOM 156 OG1 THR A 11 -7.252 -7.046 0.600 1.00 53.34 O ATOM 157 CG2 THR A 11 -7.237 -8.748 -1.120 1.00 4.33 C ATOM 0 H THR A 11 -7.021 -4.499 -1.976 1.00 10.40 H new ATOM 0 HA THR A 11 -5.290 -6.702 -1.210 1.00 62.34 H new ATOM 0 HB THR A 11 -8.336 -6.911 -1.164 1.00 34.11 H new ATOM 0 HG1 THR A 11 -7.939 -7.570 1.062 1.00 53.34 H new ATOM 0 HG21 THR A 11 -8.008 -9.295 -0.577 1.00 4.33 H new ATOM 0 HG22 THR A 11 -7.361 -8.914 -2.190 1.00 4.33 H new ATOM 0 HG23 THR A 11 -6.254 -9.102 -0.810 1.00 4.33 H new ATOM 165 N VAL A 12 -5.331 -7.370 -3.615 1.00 72.44 N ATOM 166 CA VAL A 12 -5.366 -7.872 -4.990 1.00 74.32 C ATOM 167 C VAL A 12 -5.620 -9.391 -5.003 1.00 42.33 C ATOM 168 O VAL A 12 -4.767 -10.193 -4.607 1.00 72.14 O ATOM 169 CB VAL A 12 -4.061 -7.528 -5.761 1.00 11.32 C ATOM 170 CG1 VAL A 12 -3.877 -6.016 -5.858 1.00 42.35 C ATOM 171 CG2 VAL A 12 -2.840 -8.164 -5.105 1.00 3.14 C ATOM 0 H VAL A 12 -4.448 -7.529 -3.130 1.00 72.44 H new ATOM 0 HA VAL A 12 -6.189 -7.374 -5.502 1.00 74.32 H new ATOM 0 HB VAL A 12 -4.156 -7.939 -6.766 1.00 11.32 H new ATOM 0 HG11 VAL A 12 -2.958 -5.795 -6.401 1.00 42.35 H new ATOM 0 HG12 VAL A 12 -4.725 -5.579 -6.386 1.00 42.35 H new ATOM 0 HG13 VAL A 12 -3.817 -5.592 -4.856 1.00 42.35 H new ATOM 0 HG21 VAL A 12 -1.946 -7.903 -5.670 1.00 3.14 H new ATOM 0 HG22 VAL A 12 -2.743 -7.797 -4.083 1.00 3.14 H new ATOM 0 HG23 VAL A 12 -2.957 -9.248 -5.092 1.00 3.14 H new ATOM 181 N ASP A 13 -6.813 -9.780 -5.436 1.00 30.12 N ATOM 182 CA ASP A 13 -7.223 -11.186 -5.435 1.00 62.03 C ATOM 183 C ASP A 13 -6.591 -11.966 -6.601 1.00 35.31 C ATOM 184 O ASP A 13 -6.284 -11.399 -7.651 1.00 53.55 O ATOM 185 CB ASP A 13 -8.752 -11.271 -5.495 1.00 50.44 C ATOM 186 CG ASP A 13 -9.259 -12.700 -5.490 1.00 60.33 C ATOM 187 OD1 ASP A 13 -8.936 -13.443 -4.540 1.00 71.31 O ATOM 188 OD2 ASP A 13 -9.971 -13.089 -6.438 1.00 31.43 O ATOM 0 H ASP A 13 -7.521 -9.139 -5.795 1.00 30.12 H new ATOM 0 HA ASP A 13 -6.868 -11.646 -4.513 1.00 62.03 H new ATOM 0 HB2 ASP A 13 -9.175 -10.737 -4.644 1.00 50.44 H new ATOM 0 HB3 ASP A 13 -9.105 -10.768 -6.395 1.00 50.44 H new ATOM 193 N GLY A 14 -6.389 -13.268 -6.402 1.00 43.32 N ATOM 194 CA GLY A 14 -5.799 -14.111 -7.438 1.00 74.35 C ATOM 195 C GLY A 14 -4.272 -14.140 -7.397 1.00 13.43 C ATOM 196 O GLY A 14 -3.659 -15.201 -7.544 1.00 62.25 O ATOM 0 H GLY A 14 -6.624 -13.758 -5.539 1.00 43.32 H new ATOM 0 HA2 GLY A 14 -6.178 -15.127 -7.329 1.00 74.35 H new ATOM 0 HA3 GLY A 14 -6.123 -13.753 -8.416 1.00 74.35 H new ATOM 200 N ALA A 15 -3.660 -12.975 -7.203 1.00 24.01 N ATOM 201 CA ALA A 15 -2.197 -12.854 -7.175 1.00 72.33 C ATOM 202 C ALA A 15 -1.617 -13.111 -5.774 1.00 72.13 C ATOM 203 O ALA A 15 -2.290 -12.905 -4.759 1.00 13.40 O ATOM 204 CB ALA A 15 -1.788 -11.472 -7.669 1.00 40.30 C ATOM 0 H ALA A 15 -4.154 -12.094 -7.062 1.00 24.01 H new ATOM 0 HA ALA A 15 -1.789 -13.619 -7.835 1.00 72.33 H new ATOM 0 HB1 ALA A 15 -0.702 -11.385 -7.647 1.00 40.30 H new ATOM 0 HB2 ALA A 15 -2.143 -11.331 -8.690 1.00 40.30 H new ATOM 0 HB3 ALA A 15 -2.226 -10.711 -7.024 1.00 40.30 H new ATOM 210 N GLU A 16 -0.361 -13.552 -5.726 1.00 64.43 N ATOM 211 CA GLU A 16 0.323 -13.821 -4.454 1.00 2.34 C ATOM 212 C GLU A 16 1.759 -13.268 -4.458 1.00 31.30 C ATOM 213 O GLU A 16 2.047 -12.265 -3.806 1.00 32.35 O ATOM 214 CB GLU A 16 0.333 -15.332 -4.173 1.00 2.54 C ATOM 215 CG GLU A 16 1.001 -15.720 -2.857 1.00 72.13 C ATOM 216 CD GLU A 16 1.012 -17.224 -2.634 1.00 52.14 C ATOM 217 OE1 GLU A 16 0.031 -17.756 -2.082 1.00 14.22 O ATOM 218 OE2 GLU A 16 2.002 -17.883 -3.015 1.00 14.34 O ATOM 0 H GLU A 16 0.208 -13.732 -6.553 1.00 64.43 H new ATOM 0 HA GLU A 16 -0.225 -13.312 -3.661 1.00 2.34 H new ATOM 0 HB2 GLU A 16 -0.695 -15.696 -4.167 1.00 2.54 H new ATOM 0 HB3 GLU A 16 0.846 -15.839 -4.991 1.00 2.54 H new ATOM 0 HG2 GLU A 16 2.025 -15.347 -2.849 1.00 72.13 H new ATOM 0 HG3 GLU A 16 0.479 -15.237 -2.031 1.00 72.13 H new ATOM 225 N SER A 17 2.653 -13.915 -5.210 1.00 11.43 N ATOM 226 CA SER A 17 4.071 -13.513 -5.259 1.00 74.41 C ATOM 227 C SER A 17 4.434 -12.906 -6.622 1.00 12.50 C ATOM 228 O SER A 17 4.737 -13.628 -7.577 1.00 24.43 O ATOM 229 CB SER A 17 4.986 -14.716 -4.972 1.00 33.13 C ATOM 230 OG SER A 17 4.723 -15.284 -3.696 1.00 52.03 O ATOM 0 H SER A 17 2.426 -14.719 -5.795 1.00 11.43 H new ATOM 0 HA SER A 17 4.221 -12.755 -4.491 1.00 74.41 H new ATOM 0 HB2 SER A 17 4.845 -15.473 -5.743 1.00 33.13 H new ATOM 0 HB3 SER A 17 6.028 -14.401 -5.022 1.00 33.13 H new ATOM 0 HG SER A 17 5.321 -16.046 -3.548 1.00 52.03 H new ATOM 236 N LEU A 18 4.401 -11.579 -6.710 1.00 31.33 N ATOM 237 CA LEU A 18 4.705 -10.867 -7.962 1.00 34.43 C ATOM 238 C LEU A 18 5.779 -9.789 -7.754 1.00 3.02 C ATOM 239 O LEU A 18 5.921 -9.248 -6.662 1.00 63.13 O ATOM 240 CB LEU A 18 3.432 -10.213 -8.525 1.00 32.41 C ATOM 241 CG LEU A 18 2.319 -11.180 -8.972 1.00 42.13 C ATOM 242 CD1 LEU A 18 1.121 -10.405 -9.513 1.00 74.12 C ATOM 243 CD2 LEU A 18 2.839 -12.164 -10.020 1.00 1.33 C ATOM 0 H LEU A 18 4.166 -10.967 -5.929 1.00 31.33 H new ATOM 0 HA LEU A 18 5.088 -11.602 -8.670 1.00 34.43 H new ATOM 0 HB2 LEU A 18 3.024 -9.546 -7.766 1.00 32.41 H new ATOM 0 HB3 LEU A 18 3.712 -9.593 -9.377 1.00 32.41 H new ATOM 0 HG LEU A 18 1.997 -11.751 -8.101 1.00 42.13 H new ATOM 0 HD11 LEU A 18 0.345 -11.105 -9.824 1.00 74.12 H new ATOM 0 HD12 LEU A 18 0.729 -9.751 -8.734 1.00 74.12 H new ATOM 0 HD13 LEU A 18 1.432 -9.805 -10.368 1.00 74.12 H new ATOM 0 HD21 LEU A 18 2.034 -12.836 -10.319 1.00 1.33 H new ATOM 0 HD22 LEU A 18 3.195 -11.614 -10.891 1.00 1.33 H new ATOM 0 HD23 LEU A 18 3.659 -12.745 -9.598 1.00 1.33 H new ATOM 255 N ASN A 19 6.539 -9.486 -8.805 1.00 1.45 N ATOM 256 CA ASN A 19 7.497 -8.372 -8.766 1.00 32.32 C ATOM 257 C ASN A 19 6.768 -7.027 -8.901 1.00 54.23 C ATOM 258 O ASN A 19 5.597 -6.986 -9.282 1.00 11.22 O ATOM 259 CB ASN A 19 8.518 -8.498 -9.904 1.00 4.30 C ATOM 260 CG ASN A 19 9.236 -9.831 -9.910 1.00 50.41 C ATOM 261 OD1 ASN A 19 9.444 -10.449 -8.870 1.00 53.10 O ATOM 262 ND2 ASN A 19 9.632 -10.281 -11.083 1.00 50.03 N ATOM 0 H ASN A 19 6.514 -9.990 -9.691 1.00 1.45 H new ATOM 0 HA ASN A 19 8.013 -8.412 -7.807 1.00 32.32 H new ATOM 0 HB2 ASN A 19 8.009 -8.362 -10.858 1.00 4.30 H new ATOM 0 HB3 ASN A 19 9.252 -7.697 -9.817 1.00 4.30 H new ATOM 0 HD21 ASN A 19 10.129 -11.170 -11.147 1.00 50.03 H new ATOM 0 HD22 ASN A 19 9.442 -9.741 -11.927 1.00 50.03 H new ATOM 269 N VAL A 20 7.460 -5.925 -8.613 1.00 21.41 N ATOM 270 CA VAL A 20 6.883 -4.591 -8.819 1.00 2.34 C ATOM 271 C VAL A 20 6.506 -4.393 -10.300 1.00 73.22 C ATOM 272 O VAL A 20 5.471 -3.805 -10.620 1.00 31.23 O ATOM 273 CB VAL A 20 7.848 -3.464 -8.367 1.00 23.11 C ATOM 274 CG1 VAL A 20 7.211 -2.086 -8.558 1.00 32.34 C ATOM 275 CG2 VAL A 20 8.271 -3.671 -6.910 1.00 61.52 C ATOM 0 H VAL A 20 8.410 -5.925 -8.241 1.00 21.41 H new ATOM 0 HA VAL A 20 5.986 -4.529 -8.203 1.00 2.34 H new ATOM 0 HB VAL A 20 8.739 -3.509 -8.993 1.00 23.11 H new ATOM 0 HG11 VAL A 20 7.909 -1.314 -8.233 1.00 32.34 H new ATOM 0 HG12 VAL A 20 6.971 -1.939 -9.611 1.00 32.34 H new ATOM 0 HG13 VAL A 20 6.298 -2.022 -7.966 1.00 32.34 H new ATOM 0 HG21 VAL A 20 8.948 -2.871 -6.610 1.00 61.52 H new ATOM 0 HG22 VAL A 20 7.389 -3.659 -6.270 1.00 61.52 H new ATOM 0 HG23 VAL A 20 8.778 -4.631 -6.811 1.00 61.52 H new ATOM 285 N THR A 21 7.345 -4.909 -11.205 1.00 23.55 N ATOM 286 CA THR A 21 7.017 -4.929 -12.640 1.00 73.03 C ATOM 287 C THR A 21 5.726 -5.723 -12.893 1.00 42.53 C ATOM 288 O THR A 21 4.880 -5.326 -13.696 1.00 42.42 O ATOM 289 CB THR A 21 8.160 -5.549 -13.488 1.00 33.40 C ATOM 290 OG1 THR A 21 9.376 -4.815 -13.291 1.00 43.04 O ATOM 291 CG2 THR A 21 7.813 -5.561 -14.974 1.00 45.11 C ATOM 0 H THR A 21 8.251 -5.317 -10.974 1.00 23.55 H new ATOM 0 HA THR A 21 6.880 -3.891 -12.943 1.00 73.03 H new ATOM 0 HB THR A 21 8.292 -6.579 -13.157 1.00 33.40 H new ATOM 0 HG1 THR A 21 9.922 -4.862 -14.104 1.00 43.04 H new ATOM 0 HG21 THR A 21 8.636 -6.002 -15.536 1.00 45.11 H new ATOM 0 HG22 THR A 21 6.909 -6.150 -15.132 1.00 45.11 H new ATOM 0 HG23 THR A 21 7.645 -4.540 -15.317 1.00 45.11 H new ATOM 299 N GLU A 22 5.573 -6.844 -12.191 1.00 64.23 N ATOM 300 CA GLU A 22 4.361 -7.662 -12.300 1.00 34.02 C ATOM 301 C GLU A 22 3.140 -6.960 -11.680 1.00 64.24 C ATOM 302 O GLU A 22 2.001 -7.221 -12.070 1.00 23.04 O ATOM 303 CB GLU A 22 4.586 -9.036 -11.658 1.00 3.21 C ATOM 304 CG GLU A 22 5.600 -9.907 -12.404 1.00 55.11 C ATOM 305 CD GLU A 22 5.062 -10.475 -13.715 1.00 65.40 C ATOM 306 OE1 GLU A 22 4.555 -9.697 -14.555 1.00 52.53 O ATOM 307 OE2 GLU A 22 5.136 -11.706 -13.911 1.00 3.14 O ATOM 0 H GLU A 22 6.270 -7.208 -11.541 1.00 64.23 H new ATOM 0 HA GLU A 22 4.148 -7.801 -13.360 1.00 34.02 H new ATOM 0 HB2 GLU A 22 4.926 -8.896 -10.632 1.00 3.21 H new ATOM 0 HB3 GLU A 22 3.634 -9.564 -11.609 1.00 3.21 H new ATOM 0 HG2 GLU A 22 6.492 -9.316 -12.611 1.00 55.11 H new ATOM 0 HG3 GLU A 22 5.906 -10.730 -11.758 1.00 55.11 H new ATOM 314 N LEU A 23 3.372 -6.064 -10.716 1.00 22.13 N ATOM 315 CA LEU A 23 2.296 -5.205 -10.208 1.00 20.14 C ATOM 316 C LEU A 23 1.789 -4.286 -11.326 1.00 71.32 C ATOM 317 O LEU A 23 0.588 -4.071 -11.468 1.00 25.15 O ATOM 318 CB LEU A 23 2.759 -4.353 -9.016 1.00 1.31 C ATOM 319 CG LEU A 23 3.067 -5.110 -7.715 1.00 24.42 C ATOM 320 CD1 LEU A 23 3.354 -4.122 -6.584 1.00 33.50 C ATOM 321 CD2 LEU A 23 1.916 -6.048 -7.345 1.00 44.22 C ATOM 0 H LEU A 23 4.280 -5.915 -10.277 1.00 22.13 H new ATOM 0 HA LEU A 23 1.491 -5.855 -9.865 1.00 20.14 H new ATOM 0 HB2 LEU A 23 3.654 -3.807 -9.314 1.00 1.31 H new ATOM 0 HB3 LEU A 23 1.988 -3.612 -8.806 1.00 1.31 H new ATOM 0 HG LEU A 23 3.956 -5.721 -7.872 1.00 24.42 H new ATOM 0 HD11 LEU A 23 3.571 -4.671 -5.668 1.00 33.50 H new ATOM 0 HD12 LEU A 23 4.213 -3.505 -6.849 1.00 33.50 H new ATOM 0 HD13 LEU A 23 2.484 -3.485 -6.428 1.00 33.50 H new ATOM 0 HD21 LEU A 23 2.157 -6.573 -6.421 1.00 44.22 H new ATOM 0 HD22 LEU A 23 1.004 -5.467 -7.205 1.00 44.22 H new ATOM 0 HD23 LEU A 23 1.766 -6.773 -8.145 1.00 44.22 H new ATOM 333 N LEU A 24 2.719 -3.749 -12.116 1.00 22.31 N ATOM 334 CA LEU A 24 2.367 -2.951 -13.294 1.00 3.21 C ATOM 335 C LEU A 24 1.538 -3.789 -14.281 1.00 61.44 C ATOM 336 O LEU A 24 0.562 -3.306 -14.858 1.00 33.11 O ATOM 337 CB LEU A 24 3.635 -2.427 -13.986 1.00 2.30 C ATOM 338 CG LEU A 24 4.569 -1.579 -13.101 1.00 23.11 C ATOM 339 CD1 LEU A 24 5.820 -1.167 -13.873 1.00 34.12 C ATOM 340 CD2 LEU A 24 3.838 -0.349 -12.565 1.00 43.24 C ATOM 0 H LEU A 24 3.722 -3.851 -11.963 1.00 22.31 H new ATOM 0 HA LEU A 24 1.769 -2.101 -12.966 1.00 3.21 H new ATOM 0 HB2 LEU A 24 4.198 -3.279 -14.368 1.00 2.30 H new ATOM 0 HB3 LEU A 24 3.338 -1.829 -14.848 1.00 2.30 H new ATOM 0 HG LEU A 24 4.878 -2.190 -12.252 1.00 23.11 H new ATOM 0 HD11 LEU A 24 6.465 -0.569 -13.229 1.00 34.12 H new ATOM 0 HD12 LEU A 24 6.357 -2.058 -14.198 1.00 34.12 H new ATOM 0 HD13 LEU A 24 5.532 -0.579 -14.745 1.00 34.12 H new ATOM 0 HD21 LEU A 24 4.516 0.235 -11.943 1.00 43.24 H new ATOM 0 HD22 LEU A 24 3.494 0.262 -13.399 1.00 43.24 H new ATOM 0 HD23 LEU A 24 2.982 -0.665 -11.970 1.00 43.24 H new ATOM 352 N SER A 25 1.935 -5.053 -14.455 1.00 62.51 N ATOM 353 CA SER A 25 1.197 -6.004 -15.300 1.00 62.33 C ATOM 354 C SER A 25 -0.246 -6.194 -14.803 1.00 33.45 C ATOM 355 O SER A 25 -1.205 -6.024 -15.558 1.00 45.24 O ATOM 356 CB SER A 25 1.900 -7.371 -15.314 1.00 53.05 C ATOM 357 OG SER A 25 3.268 -7.260 -15.678 1.00 4.14 O ATOM 0 H SER A 25 2.769 -5.446 -14.019 1.00 62.51 H new ATOM 0 HA SER A 25 1.173 -5.589 -16.308 1.00 62.33 H new ATOM 0 HB2 SER A 25 1.823 -7.829 -14.328 1.00 53.05 H new ATOM 0 HB3 SER A 25 1.391 -8.034 -16.014 1.00 53.05 H new ATOM 0 HG SER A 25 3.739 -8.085 -15.436 1.00 4.14 H new ATOM 363 N ALA A 26 -0.390 -6.545 -13.524 1.00 4.02 N ATOM 364 CA ALA A 26 -1.707 -6.802 -12.923 1.00 15.22 C ATOM 365 C ALA A 26 -2.584 -5.541 -12.888 1.00 12.15 C ATOM 366 O ALA A 26 -3.738 -5.559 -13.321 1.00 20.32 O ATOM 367 CB ALA A 26 -1.534 -7.365 -11.516 1.00 21.11 C ATOM 0 H ALA A 26 0.392 -6.659 -12.879 1.00 4.02 H new ATOM 0 HA ALA A 26 -2.219 -7.533 -13.549 1.00 15.22 H new ATOM 0 HB1 ALA A 26 -2.514 -7.553 -11.076 1.00 21.11 H new ATOM 0 HB2 ALA A 26 -0.972 -8.298 -11.564 1.00 21.11 H new ATOM 0 HB3 ALA A 26 -0.992 -6.647 -10.901 1.00 21.11 H new ATOM 373 N LEU A 27 -2.026 -4.443 -12.382 1.00 2.52 N ATOM 374 CA LEU A 27 -2.750 -3.170 -12.293 1.00 50.21 C ATOM 375 C LEU A 27 -2.859 -2.480 -13.664 1.00 31.14 C ATOM 376 O LEU A 27 -3.522 -1.448 -13.795 1.00 35.12 O ATOM 377 CB LEU A 27 -2.052 -2.241 -11.285 1.00 62.23 C ATOM 378 CG LEU A 27 -1.966 -2.775 -9.842 1.00 42.55 C ATOM 379 CD1 LEU A 27 -1.230 -1.783 -8.944 1.00 64.44 C ATOM 380 CD2 LEU A 27 -3.361 -3.071 -9.293 1.00 1.21 C ATOM 0 H LEU A 27 -1.071 -4.406 -12.025 1.00 2.52 H new ATOM 0 HA LEU A 27 -3.763 -3.383 -11.951 1.00 50.21 H new ATOM 0 HB2 LEU A 27 -1.041 -2.041 -11.641 1.00 62.23 H new ATOM 0 HB3 LEU A 27 -2.579 -1.287 -11.270 1.00 62.23 H new ATOM 0 HG LEU A 27 -1.401 -3.707 -9.855 1.00 42.55 H new ATOM 0 HD11 LEU A 27 -1.180 -2.178 -7.929 1.00 64.44 H new ATOM 0 HD12 LEU A 27 -0.220 -1.629 -9.324 1.00 64.44 H new ATOM 0 HD13 LEU A 27 -1.764 -0.833 -8.937 1.00 64.44 H new ATOM 0 HD21 LEU A 27 -3.278 -3.447 -8.273 1.00 1.21 H new ATOM 0 HD22 LEU A 27 -3.955 -2.157 -9.296 1.00 1.21 H new ATOM 0 HD23 LEU A 27 -3.846 -3.821 -9.918 1.00 1.21 H new ATOM 392 N LYS A 28 -2.193 -3.047 -14.672 1.00 2.41 N ATOM 393 CA LYS A 28 -2.237 -2.529 -16.045 1.00 42.52 C ATOM 394 C LYS A 28 -1.836 -1.043 -16.089 1.00 74.44 C ATOM 395 O LYS A 28 -2.548 -0.199 -16.640 1.00 43.33 O ATOM 396 CB LYS A 28 -3.638 -2.740 -16.646 1.00 21.43 C ATOM 397 CG LYS A 28 -3.711 -2.511 -18.155 1.00 25.43 C ATOM 398 CD LYS A 28 -5.131 -2.698 -18.686 1.00 11.45 C ATOM 399 CE LYS A 28 -6.102 -1.683 -18.088 1.00 41.32 C ATOM 400 NZ LYS A 28 -7.498 -1.908 -18.549 1.00 64.43 N ATOM 0 H LYS A 28 -1.609 -3.876 -14.562 1.00 2.41 H new ATOM 0 HA LYS A 28 -1.515 -3.082 -16.646 1.00 42.52 H new ATOM 0 HB2 LYS A 28 -3.966 -3.756 -16.427 1.00 21.43 H new ATOM 0 HB3 LYS A 28 -4.338 -2.066 -16.153 1.00 21.43 H new ATOM 0 HG2 LYS A 28 -3.365 -1.504 -18.388 1.00 25.43 H new ATOM 0 HG3 LYS A 28 -3.039 -3.204 -18.661 1.00 25.43 H new ATOM 0 HD2 LYS A 28 -5.128 -2.601 -19.772 1.00 11.45 H new ATOM 0 HD3 LYS A 28 -5.474 -3.707 -18.457 1.00 11.45 H new ATOM 0 HE2 LYS A 28 -6.065 -1.744 -17.000 1.00 41.32 H new ATOM 0 HE3 LYS A 28 -5.788 -0.676 -18.362 1.00 41.32 H new ATOM 0 HZ1 LYS A 28 -8.124 -1.197 -18.119 1.00 64.43 H new ATOM 0 HZ2 LYS A 28 -7.539 -1.825 -19.585 1.00 64.43 H new ATOM 0 HZ3 LYS A 28 -7.808 -2.859 -18.265 1.00 64.43 H new ATOM 414 N VAL A 29 -0.687 -0.730 -15.497 1.00 74.03 N ATOM 415 CA VAL A 29 -0.186 0.647 -15.459 1.00 21.15 C ATOM 416 C VAL A 29 0.640 0.970 -16.714 1.00 61.24 C ATOM 417 O VAL A 29 1.664 0.335 -16.977 1.00 71.35 O ATOM 418 CB VAL A 29 0.685 0.895 -14.201 1.00 53.14 C ATOM 419 CG1 VAL A 29 1.160 2.348 -14.134 1.00 24.15 C ATOM 420 CG2 VAL A 29 -0.076 0.516 -12.933 1.00 13.02 C ATOM 0 H VAL A 29 -0.082 -1.410 -15.036 1.00 74.03 H new ATOM 0 HA VAL A 29 -1.057 1.301 -15.423 1.00 21.15 H new ATOM 0 HB VAL A 29 1.567 0.259 -14.275 1.00 53.14 H new ATOM 0 HG11 VAL A 29 1.768 2.491 -13.241 1.00 24.15 H new ATOM 0 HG12 VAL A 29 1.754 2.578 -15.019 1.00 24.15 H new ATOM 0 HG13 VAL A 29 0.296 3.012 -14.095 1.00 24.15 H new ATOM 0 HG21 VAL A 29 0.554 0.698 -12.062 1.00 13.02 H new ATOM 0 HG22 VAL A 29 -0.981 1.118 -12.858 1.00 13.02 H new ATOM 0 HG23 VAL A 29 -0.345 -0.540 -12.972 1.00 13.02 H new ATOM 430 N ALA A 30 0.196 1.963 -17.481 1.00 33.50 N ATOM 431 CA ALA A 30 0.897 2.362 -18.707 1.00 10.24 C ATOM 432 C ALA A 30 2.231 3.055 -18.393 1.00 71.23 C ATOM 433 O ALA A 30 3.179 2.991 -19.179 1.00 40.52 O ATOM 434 CB ALA A 30 0.008 3.275 -19.545 1.00 63.05 C ATOM 0 H ALA A 30 -0.643 2.507 -17.279 1.00 33.50 H new ATOM 0 HA ALA A 30 1.120 1.459 -19.276 1.00 10.24 H new ATOM 0 HB1 ALA A 30 0.537 3.565 -20.452 1.00 63.05 H new ATOM 0 HB2 ALA A 30 -0.907 2.747 -19.812 1.00 63.05 H new ATOM 0 HB3 ALA A 30 -0.243 4.167 -18.970 1.00 63.05 H new ATOM 440 N GLN A 31 2.301 3.713 -17.237 1.00 54.33 N ATOM 441 CA GLN A 31 3.506 4.448 -16.837 1.00 50.42 C ATOM 442 C GLN A 31 4.554 3.514 -16.210 1.00 11.43 C ATOM 443 O GLN A 31 4.573 3.311 -14.996 1.00 64.41 O ATOM 444 CB GLN A 31 3.172 5.581 -15.845 1.00 2.11 C ATOM 445 CG GLN A 31 1.983 6.461 -16.243 1.00 31.40 C ATOM 446 CD GLN A 31 0.637 5.822 -15.922 1.00 23.02 C ATOM 447 OE1 GLN A 31 0.052 5.119 -16.738 1.00 1.21 O ATOM 448 NE2 GLN A 31 0.141 6.051 -14.721 1.00 32.02 N ATOM 0 H GLN A 31 1.540 3.754 -16.559 1.00 54.33 H new ATOM 0 HA GLN A 31 3.922 4.884 -17.745 1.00 50.42 H new ATOM 0 HB2 GLN A 31 2.968 5.140 -14.869 1.00 2.11 H new ATOM 0 HB3 GLN A 31 4.052 6.215 -15.731 1.00 2.11 H new ATOM 0 HG2 GLN A 31 2.057 7.418 -15.727 1.00 31.40 H new ATOM 0 HG3 GLN A 31 2.034 6.670 -17.311 1.00 31.40 H new ATOM 0 HE21 GLN A 31 0.651 6.640 -14.063 1.00 32.02 H new ATOM 0 HE22 GLN A 31 -0.752 5.639 -14.451 1.00 32.02 H new ATOM 457 N ALA A 32 5.407 2.928 -17.047 1.00 61.24 N ATOM 458 CA ALA A 32 6.533 2.110 -16.566 1.00 75.42 C ATOM 459 C ALA A 32 7.829 2.935 -16.540 1.00 2.21 C ATOM 460 O ALA A 32 8.839 2.539 -15.952 1.00 33.54 O ATOM 461 CB ALA A 32 6.699 0.873 -17.442 1.00 2.21 C ATOM 0 H ALA A 32 5.345 3.000 -18.063 1.00 61.24 H new ATOM 0 HA ALA A 32 6.317 1.786 -15.548 1.00 75.42 H new ATOM 0 HB1 ALA A 32 7.535 0.277 -17.075 1.00 2.21 H new ATOM 0 HB2 ALA A 32 5.786 0.278 -17.408 1.00 2.21 H new ATOM 0 HB3 ALA A 32 6.895 1.179 -18.470 1.00 2.21 H new ATOM 467 N GLU A 33 7.772 4.084 -17.204 1.00 0.03 N ATOM 468 CA GLU A 33 8.877 5.046 -17.252 1.00 0.01 C ATOM 469 C GLU A 33 8.555 6.266 -16.372 1.00 32.23 C ATOM 470 O GLU A 33 9.354 6.684 -15.533 1.00 33.53 O ATOM 471 CB GLU A 33 9.087 5.494 -18.710 1.00 12.23 C ATOM 472 CG GLU A 33 10.198 6.520 -18.912 1.00 35.14 C ATOM 473 CD GLU A 33 11.587 5.936 -18.725 1.00 11.24 C ATOM 474 OE1 GLU A 33 12.121 5.343 -19.687 1.00 53.25 O ATOM 475 OE2 GLU A 33 12.155 6.065 -17.626 1.00 63.20 O ATOM 0 H GLU A 33 6.951 4.381 -17.731 1.00 0.03 H new ATOM 0 HA GLU A 33 9.786 4.576 -16.876 1.00 0.01 H new ATOM 0 HB2 GLU A 33 9.308 4.616 -19.317 1.00 12.23 H new ATOM 0 HB3 GLU A 33 8.153 5.913 -19.084 1.00 12.23 H new ATOM 0 HG2 GLU A 33 10.119 6.940 -19.915 1.00 35.14 H new ATOM 0 HG3 GLU A 33 10.058 7.342 -18.210 1.00 35.14 H new ATOM 482 N TYR A 34 7.351 6.806 -16.560 1.00 44.33 N ATOM 483 CA TYR A 34 6.899 8.011 -15.849 1.00 63.44 C ATOM 484 C TYR A 34 6.268 7.662 -14.486 1.00 10.53 C ATOM 485 O TYR A 34 5.225 8.207 -14.120 1.00 54.04 O ATOM 486 CB TYR A 34 5.866 8.748 -16.713 1.00 44.12 C ATOM 487 CG TYR A 34 6.292 8.936 -18.160 1.00 35.30 C ATOM 488 CD1 TYR A 34 7.160 9.959 -18.531 1.00 42.32 C ATOM 489 CD2 TYR A 34 5.829 8.080 -19.153 1.00 61.42 C ATOM 490 CE1 TYR A 34 7.547 10.126 -19.849 1.00 74.54 C ATOM 491 CE2 TYR A 34 6.211 8.240 -20.471 1.00 72.22 C ATOM 492 CZ TYR A 34 7.069 9.261 -20.816 1.00 34.41 C ATOM 493 OH TYR A 34 7.446 9.422 -22.133 1.00 0.13 O ATOM 0 H TYR A 34 6.660 6.425 -17.207 1.00 44.33 H new ATOM 0 HA TYR A 34 7.767 8.645 -15.667 1.00 63.44 H new ATOM 0 HB2 TYR A 34 4.927 8.194 -16.690 1.00 44.12 H new ATOM 0 HB3 TYR A 34 5.670 9.726 -16.273 1.00 44.12 H new ATOM 0 HD1 TYR A 34 7.538 10.634 -17.777 1.00 42.32 H new ATOM 0 HD2 TYR A 34 5.159 7.275 -18.889 1.00 61.42 H new ATOM 0 HE1 TYR A 34 8.218 10.927 -20.121 1.00 74.54 H new ATOM 0 HE2 TYR A 34 5.838 7.567 -21.229 1.00 72.22 H new ATOM 0 HH TYR A 34 7.022 8.730 -22.682 1.00 0.13 H new ATOM 503 N VAL A 35 6.913 6.772 -13.729 1.00 62.21 N ATOM 504 CA VAL A 35 6.348 6.270 -12.465 1.00 64.31 C ATOM 505 C VAL A 35 7.199 6.661 -11.235 1.00 64.41 C ATOM 506 O VAL A 35 8.421 6.809 -11.321 1.00 50.22 O ATOM 507 CB VAL A 35 6.173 4.727 -12.516 1.00 23.03 C ATOM 508 CG1 VAL A 35 7.511 4.037 -12.768 1.00 23.50 C ATOM 509 CG2 VAL A 35 5.510 4.197 -11.241 1.00 0.30 C ATOM 0 H VAL A 35 7.825 6.382 -13.965 1.00 62.21 H new ATOM 0 HA VAL A 35 5.373 6.744 -12.352 1.00 64.31 H new ATOM 0 HB VAL A 35 5.510 4.495 -13.350 1.00 23.03 H new ATOM 0 HG11 VAL A 35 7.363 2.957 -12.800 1.00 23.50 H new ATOM 0 HG12 VAL A 35 7.921 4.375 -13.720 1.00 23.50 H new ATOM 0 HG13 VAL A 35 8.205 4.285 -11.965 1.00 23.50 H new ATOM 0 HG21 VAL A 35 5.403 3.114 -11.310 1.00 0.30 H new ATOM 0 HG22 VAL A 35 6.128 4.446 -10.379 1.00 0.30 H new ATOM 0 HG23 VAL A 35 4.526 4.653 -11.126 1.00 0.30 H new ATOM 519 N THR A 36 6.530 6.841 -10.091 1.00 40.03 N ATOM 520 CA THR A 36 7.196 7.173 -8.819 1.00 61.41 C ATOM 521 C THR A 36 6.471 6.521 -7.630 1.00 3.44 C ATOM 522 O THR A 36 5.339 6.882 -7.311 1.00 1.10 O ATOM 523 CB THR A 36 7.254 8.705 -8.585 1.00 43.45 C ATOM 524 OG1 THR A 36 8.036 9.346 -9.610 1.00 34.51 O ATOM 525 CG2 THR A 36 7.843 9.032 -7.214 1.00 53.30 C ATOM 0 H THR A 36 5.516 6.762 -10.017 1.00 40.03 H new ATOM 0 HA THR A 36 8.212 6.785 -8.889 1.00 61.41 H new ATOM 0 HB THR A 36 6.232 9.082 -8.625 1.00 43.45 H new ATOM 0 HG1 THR A 36 8.060 10.312 -9.447 1.00 34.51 H new ATOM 0 HG21 THR A 36 7.871 10.113 -7.079 1.00 53.30 H new ATOM 0 HG22 THR A 36 7.224 8.585 -6.436 1.00 53.30 H new ATOM 0 HG23 THR A 36 8.855 8.632 -7.148 1.00 53.30 H new ATOM 533 N VAL A 37 7.129 5.557 -6.981 1.00 53.02 N ATOM 534 CA VAL A 37 6.549 4.841 -5.829 1.00 63.22 C ATOM 535 C VAL A 37 7.622 4.499 -4.782 1.00 42.44 C ATOM 536 O VAL A 37 8.819 4.480 -5.091 1.00 63.30 O ATOM 537 CB VAL A 37 5.857 3.519 -6.269 1.00 41.24 C ATOM 538 CG1 VAL A 37 4.690 3.792 -7.216 1.00 62.11 C ATOM 539 CG2 VAL A 37 6.867 2.567 -6.913 1.00 63.24 C ATOM 0 H VAL A 37 8.069 5.249 -7.231 1.00 53.02 H new ATOM 0 HA VAL A 37 5.810 5.512 -5.391 1.00 63.22 H new ATOM 0 HB VAL A 37 5.455 3.040 -5.376 1.00 41.24 H new ATOM 0 HG11 VAL A 37 4.228 2.848 -7.505 1.00 62.11 H new ATOM 0 HG12 VAL A 37 3.953 4.418 -6.714 1.00 62.11 H new ATOM 0 HG13 VAL A 37 5.056 4.304 -8.106 1.00 62.11 H new ATOM 0 HG21 VAL A 37 6.362 1.649 -7.213 1.00 63.24 H new ATOM 0 HG22 VAL A 37 7.307 3.042 -7.790 1.00 63.24 H new ATOM 0 HG23 VAL A 37 7.653 2.331 -6.196 1.00 63.24 H new ATOM 549 N GLU A 38 7.193 4.226 -3.548 1.00 31.21 N ATOM 550 CA GLU A 38 8.107 3.739 -2.508 1.00 43.31 C ATOM 551 C GLU A 38 7.508 2.543 -1.757 1.00 41.45 C ATOM 552 O GLU A 38 6.295 2.427 -1.595 1.00 43.23 O ATOM 553 CB GLU A 38 8.500 4.849 -1.511 1.00 73.33 C ATOM 554 CG GLU A 38 7.342 5.447 -0.708 1.00 61.22 C ATOM 555 CD GLU A 38 6.832 6.762 -1.274 1.00 42.51 C ATOM 556 OE1 GLU A 38 7.662 7.655 -1.548 1.00 1.13 O ATOM 557 OE2 GLU A 38 5.602 6.928 -1.411 1.00 45.42 O ATOM 0 H GLU A 38 6.225 4.332 -3.244 1.00 31.21 H new ATOM 0 HA GLU A 38 9.014 3.414 -3.019 1.00 43.31 H new ATOM 0 HB2 GLU A 38 9.234 4.445 -0.813 1.00 73.33 H new ATOM 0 HB3 GLU A 38 8.991 5.651 -2.061 1.00 73.33 H new ATOM 0 HG2 GLU A 38 6.522 4.730 -0.678 1.00 61.22 H new ATOM 0 HG3 GLU A 38 7.666 5.604 0.321 1.00 61.22 H new ATOM 564 N LEU A 39 8.377 1.646 -1.319 1.00 42.52 N ATOM 565 CA LEU A 39 7.972 0.438 -0.604 1.00 14.23 C ATOM 566 C LEU A 39 8.359 0.544 0.882 1.00 63.23 C ATOM 567 O LEU A 39 9.533 0.435 1.231 1.00 1.32 O ATOM 568 CB LEU A 39 8.633 -0.781 -1.284 1.00 24.51 C ATOM 569 CG LEU A 39 8.191 -2.174 -0.795 1.00 62.13 C ATOM 570 CD1 LEU A 39 9.013 -2.626 0.410 1.00 3.44 C ATOM 571 CD2 LEU A 39 6.698 -2.180 -0.476 1.00 35.11 C ATOM 0 H LEU A 39 9.385 1.732 -1.448 1.00 42.52 H new ATOM 0 HA LEU A 39 6.889 0.318 -0.644 1.00 14.23 H new ATOM 0 HB2 LEU A 39 8.439 -0.719 -2.355 1.00 24.51 H new ATOM 0 HB3 LEU A 39 9.712 -0.701 -1.151 1.00 24.51 H new ATOM 0 HG LEU A 39 8.372 -2.887 -1.599 1.00 62.13 H new ATOM 0 HD11 LEU A 39 8.677 -3.612 0.731 1.00 3.44 H new ATOM 0 HD12 LEU A 39 10.067 -2.674 0.134 1.00 3.44 H new ATOM 0 HD13 LEU A 39 8.883 -1.915 1.226 1.00 3.44 H new ATOM 0 HD21 LEU A 39 6.403 -3.172 -0.132 1.00 35.11 H new ATOM 0 HD22 LEU A 39 6.490 -1.448 0.305 1.00 35.11 H new ATOM 0 HD23 LEU A 39 6.133 -1.924 -1.373 1.00 35.11 H new ATOM 583 N ASN A 40 7.366 0.784 1.747 1.00 53.22 N ATOM 584 CA ASN A 40 7.611 1.002 3.187 1.00 71.04 C ATOM 585 C ASN A 40 8.600 2.161 3.421 1.00 23.24 C ATOM 586 O ASN A 40 9.401 2.128 4.358 1.00 11.20 O ATOM 587 CB ASN A 40 8.144 -0.280 3.848 1.00 41.12 C ATOM 588 CG ASN A 40 7.090 -1.364 3.992 1.00 71.44 C ATOM 589 OD1 ASN A 40 6.925 -2.175 2.971 1.00 42.33 O flip ATOM 590 ND2 ASN A 40 6.422 -1.471 5.015 1.00 32.34 N flip ATOM 0 H ASN A 40 6.383 0.833 1.479 1.00 53.22 H new ATOM 0 HA ASN A 40 6.657 1.268 3.643 1.00 71.04 H new ATOM 0 HB2 ASN A 40 8.975 -0.667 3.258 1.00 41.12 H new ATOM 0 HB3 ASN A 40 8.540 -0.035 4.833 1.00 41.12 H new ATOM 0 HD21 ASN A 40 6.572 -0.827 5.792 1.00 32.34 H new ATOM 0 HD22 ASN A 40 5.717 -2.204 5.089 1.00 32.34 H new ATOM 597 N GLY A 41 8.526 3.189 2.578 1.00 3.11 N ATOM 598 CA GLY A 41 9.466 4.305 2.663 1.00 51.04 C ATOM 599 C GLY A 41 10.700 4.138 1.769 1.00 31.42 C ATOM 600 O GLY A 41 11.412 5.105 1.492 1.00 44.02 O ATOM 0 H GLY A 41 7.832 3.273 1.835 1.00 3.11 H new ATOM 0 HA2 GLY A 41 8.950 5.225 2.388 1.00 51.04 H new ATOM 0 HA3 GLY A 41 9.790 4.418 3.698 1.00 51.04 H new ATOM 604 N GLU A 42 10.959 2.911 1.326 1.00 51.23 N ATOM 605 CA GLU A 42 12.102 2.618 0.448 1.00 45.44 C ATOM 606 C GLU A 42 11.750 2.879 -1.025 1.00 43.10 C ATOM 607 O GLU A 42 11.096 2.057 -1.665 1.00 3.51 O ATOM 608 CB GLU A 42 12.537 1.154 0.624 1.00 50.54 C ATOM 609 CG GLU A 42 13.755 0.751 -0.205 1.00 14.34 C ATOM 610 CD GLU A 42 15.056 1.336 0.324 1.00 74.14 C ATOM 611 OE1 GLU A 42 15.342 2.521 0.054 1.00 63.52 O ATOM 612 OE2 GLU A 42 15.802 0.611 1.018 1.00 72.32 O ATOM 0 H GLU A 42 10.393 2.095 1.559 1.00 51.23 H new ATOM 0 HA GLU A 42 12.922 3.279 0.728 1.00 45.44 H new ATOM 0 HB2 GLU A 42 12.756 0.977 1.677 1.00 50.54 H new ATOM 0 HB3 GLU A 42 11.702 0.506 0.359 1.00 50.54 H new ATOM 0 HG2 GLU A 42 13.832 -0.336 -0.222 1.00 14.34 H new ATOM 0 HG3 GLU A 42 13.610 1.076 -1.235 1.00 14.34 H new ATOM 619 N VAL A 43 12.171 4.023 -1.558 1.00 23.13 N ATOM 620 CA VAL A 43 11.874 4.372 -2.957 1.00 43.14 C ATOM 621 C VAL A 43 12.509 3.365 -3.934 1.00 45.24 C ATOM 622 O VAL A 43 13.630 2.898 -3.721 1.00 60.51 O ATOM 623 CB VAL A 43 12.351 5.810 -3.303 1.00 33.41 C ATOM 624 CG1 VAL A 43 13.869 5.931 -3.190 1.00 54.52 C ATOM 625 CG2 VAL A 43 11.871 6.227 -4.694 1.00 74.45 C ATOM 0 H VAL A 43 12.715 4.723 -1.053 1.00 23.13 H new ATOM 0 HA VAL A 43 10.790 4.332 -3.067 1.00 43.14 H new ATOM 0 HB VAL A 43 11.908 6.490 -2.576 1.00 33.41 H new ATOM 0 HG11 VAL A 43 14.172 6.948 -3.438 1.00 54.52 H new ATOM 0 HG12 VAL A 43 14.178 5.699 -2.171 1.00 54.52 H new ATOM 0 HG13 VAL A 43 14.342 5.233 -3.880 1.00 54.52 H new ATOM 0 HG21 VAL A 43 12.218 7.237 -4.911 1.00 74.45 H new ATOM 0 HG22 VAL A 43 12.270 5.538 -5.438 1.00 74.45 H new ATOM 0 HG23 VAL A 43 10.782 6.203 -4.725 1.00 74.45 H new ATOM 635 N LEU A 44 11.782 3.016 -4.997 1.00 41.45 N ATOM 636 CA LEU A 44 12.272 2.040 -5.979 1.00 11.12 C ATOM 637 C LEU A 44 12.842 2.731 -7.224 1.00 24.35 C ATOM 638 O LEU A 44 12.259 3.688 -7.741 1.00 51.43 O ATOM 639 CB LEU A 44 11.151 1.074 -6.412 1.00 3.24 C ATOM 640 CG LEU A 44 10.553 0.179 -5.307 1.00 23.34 C ATOM 641 CD1 LEU A 44 11.653 -0.525 -4.513 1.00 55.24 C ATOM 642 CD2 LEU A 44 9.638 0.982 -4.387 1.00 54.34 C ATOM 0 H LEU A 44 10.856 3.391 -5.202 1.00 41.45 H new ATOM 0 HA LEU A 44 13.067 1.477 -5.490 1.00 11.12 H new ATOM 0 HB2 LEU A 44 10.344 1.661 -6.850 1.00 3.24 H new ATOM 0 HB3 LEU A 44 11.541 0.430 -7.200 1.00 3.24 H new ATOM 0 HG LEU A 44 9.949 -0.589 -5.790 1.00 23.34 H new ATOM 0 HD11 LEU A 44 11.202 -1.149 -3.741 1.00 55.24 H new ATOM 0 HD12 LEU A 44 12.244 -1.148 -5.184 1.00 55.24 H new ATOM 0 HD13 LEU A 44 12.298 0.219 -4.047 1.00 55.24 H new ATOM 0 HD21 LEU A 44 9.230 0.327 -3.617 1.00 54.34 H new ATOM 0 HD22 LEU A 44 10.208 1.784 -3.917 1.00 54.34 H new ATOM 0 HD23 LEU A 44 8.822 1.410 -4.969 1.00 54.34 H new ATOM 654 N GLU A 45 13.986 2.246 -7.699 1.00 51.00 N ATOM 655 CA GLU A 45 14.548 2.711 -8.970 1.00 62.30 C ATOM 656 C GLU A 45 13.794 2.087 -10.151 1.00 4.13 C ATOM 657 O GLU A 45 13.359 0.933 -10.084 1.00 72.31 O ATOM 658 CB GLU A 45 16.045 2.365 -9.090 1.00 21.20 C ATOM 659 CG GLU A 45 16.950 3.071 -8.083 1.00 14.44 C ATOM 660 CD GLU A 45 16.831 2.512 -6.676 1.00 51.15 C ATOM 661 OE1 GLU A 45 17.414 1.438 -6.410 1.00 51.32 O ATOM 662 OE2 GLU A 45 16.158 3.136 -5.831 1.00 21.32 O ATOM 0 H GLU A 45 14.543 1.533 -7.227 1.00 51.00 H new ATOM 0 HA GLU A 45 14.438 3.795 -8.992 1.00 62.30 H new ATOM 0 HB2 GLU A 45 16.165 1.288 -8.972 1.00 21.20 H new ATOM 0 HB3 GLU A 45 16.381 2.615 -10.096 1.00 21.20 H new ATOM 0 HG2 GLU A 45 17.985 2.987 -8.414 1.00 14.44 H new ATOM 0 HG3 GLU A 45 16.705 4.133 -8.067 1.00 14.44 H new ATOM 669 N ARG A 46 13.675 2.842 -11.238 1.00 74.54 N ATOM 670 CA ARG A 46 13.025 2.369 -12.468 1.00 21.41 C ATOM 671 C ARG A 46 13.622 1.033 -12.957 1.00 42.32 C ATOM 672 O ARG A 46 12.986 0.287 -13.699 1.00 54.25 O ATOM 673 CB ARG A 46 13.167 3.438 -13.562 1.00 61.24 C ATOM 674 CG ARG A 46 14.619 3.782 -13.890 1.00 54.43 C ATOM 675 CD ARG A 46 14.731 4.907 -14.916 1.00 42.54 C ATOM 676 NE ARG A 46 14.020 4.604 -16.158 1.00 32.20 N ATOM 677 CZ ARG A 46 14.415 3.735 -17.047 1.00 33.31 C ATOM 678 NH1 ARG A 46 15.495 3.044 -16.864 1.00 34.14 N ATOM 679 NH2 ARG A 46 13.725 3.568 -18.128 1.00 43.44 N ATOM 0 H ARG A 46 14.024 3.799 -11.297 1.00 74.54 H new ATOM 0 HA ARG A 46 11.972 2.195 -12.249 1.00 21.41 H new ATOM 0 HB2 ARG A 46 12.671 3.089 -14.467 1.00 61.24 H new ATOM 0 HB3 ARG A 46 12.650 4.343 -13.244 1.00 61.24 H new ATOM 0 HG2 ARG A 46 15.136 4.074 -12.976 1.00 54.43 H new ATOM 0 HG3 ARG A 46 15.123 2.894 -14.271 1.00 54.43 H new ATOM 0 HD2 ARG A 46 14.332 5.826 -14.488 1.00 42.54 H new ATOM 0 HD3 ARG A 46 15.783 5.089 -15.138 1.00 42.54 H new ATOM 0 HE ARG A 46 13.153 5.109 -16.342 1.00 32.20 H new ATOM 0 HH11 ARG A 46 16.048 3.176 -16.017 1.00 34.14 H new ATOM 0 HH12 ARG A 46 15.793 2.368 -17.567 1.00 34.14 H new ATOM 0 HH21 ARG A 46 12.877 4.114 -18.281 1.00 43.44 H new ATOM 0 HH22 ARG A 46 14.028 2.890 -18.827 1.00 43.44 H new ATOM 693 N GLU A 47 14.851 0.748 -12.524 1.00 11.25 N ATOM 694 CA GLU A 47 15.581 -0.459 -12.931 1.00 73.03 C ATOM 695 C GLU A 47 15.243 -1.678 -12.053 1.00 33.33 C ATOM 696 O GLU A 47 15.331 -2.817 -12.505 1.00 22.12 O ATOM 697 CB GLU A 47 17.089 -0.194 -12.838 1.00 40.22 C ATOM 698 CG GLU A 47 17.563 1.013 -13.639 1.00 24.34 C ATOM 699 CD GLU A 47 19.012 1.364 -13.344 1.00 31.31 C ATOM 700 OE1 GLU A 47 19.912 0.632 -13.808 1.00 21.32 O ATOM 701 OE2 GLU A 47 19.252 2.362 -12.630 1.00 43.34 O ATOM 0 H GLU A 47 15.370 1.346 -11.881 1.00 11.25 H new ATOM 0 HA GLU A 47 15.281 -0.688 -13.954 1.00 73.03 H new ATOM 0 HB2 GLU A 47 17.357 -0.049 -11.791 1.00 40.22 H new ATOM 0 HB3 GLU A 47 17.624 -1.078 -13.184 1.00 40.22 H new ATOM 0 HG2 GLU A 47 17.450 0.808 -14.704 1.00 24.34 H new ATOM 0 HG3 GLU A 47 16.929 1.870 -13.411 1.00 24.34 H new ATOM 708 N ALA A 48 14.859 -1.439 -10.801 1.00 40.54 N ATOM 709 CA ALA A 48 14.734 -2.519 -9.809 1.00 1.35 C ATOM 710 C ALA A 48 13.296 -3.042 -9.646 1.00 34.42 C ATOM 711 O ALA A 48 13.018 -3.814 -8.725 1.00 25.04 O ATOM 712 CB ALA A 48 15.272 -2.038 -8.469 1.00 65.20 C ATOM 0 H ALA A 48 14.628 -0.512 -10.444 1.00 40.54 H new ATOM 0 HA ALA A 48 15.321 -3.360 -10.179 1.00 1.35 H new ATOM 0 HB1 ALA A 48 15.180 -2.836 -7.732 1.00 65.20 H new ATOM 0 HB2 ALA A 48 16.321 -1.762 -8.576 1.00 65.20 H new ATOM 0 HB3 ALA A 48 14.700 -1.171 -8.137 1.00 65.20 H new ATOM 718 N PHE A 49 12.393 -2.652 -10.542 1.00 61.21 N ATOM 719 CA PHE A 49 10.987 -3.077 -10.449 1.00 23.23 C ATOM 720 C PHE A 49 10.836 -4.610 -10.503 1.00 62.14 C ATOM 721 O PHE A 49 10.148 -5.204 -9.669 1.00 40.31 O ATOM 722 CB PHE A 49 10.144 -2.423 -11.556 1.00 52.45 C ATOM 723 CG PHE A 49 9.977 -0.929 -11.399 1.00 31.41 C ATOM 724 CD1 PHE A 49 9.939 -0.342 -10.138 1.00 65.20 C ATOM 725 CD2 PHE A 49 9.850 -0.113 -12.513 1.00 11.15 C ATOM 726 CE1 PHE A 49 9.778 1.022 -9.997 1.00 51.21 C ATOM 727 CE2 PHE A 49 9.689 1.253 -12.374 1.00 42.24 C ATOM 728 CZ PHE A 49 9.655 1.821 -11.115 1.00 20.51 C ATOM 0 H PHE A 49 12.601 -2.047 -11.337 1.00 61.21 H new ATOM 0 HA PHE A 49 10.620 -2.744 -9.478 1.00 23.23 H new ATOM 0 HB2 PHE A 49 10.608 -2.627 -12.521 1.00 52.45 H new ATOM 0 HB3 PHE A 49 9.159 -2.889 -11.572 1.00 52.45 H new ATOM 0 HD1 PHE A 49 10.037 -0.961 -9.258 1.00 65.20 H new ATOM 0 HD2 PHE A 49 9.877 -0.550 -13.500 1.00 11.15 H new ATOM 0 HE1 PHE A 49 9.748 1.463 -9.012 1.00 51.21 H new ATOM 0 HE2 PHE A 49 9.590 1.877 -13.250 1.00 42.24 H new ATOM 0 HZ PHE A 49 9.532 2.888 -11.006 1.00 20.51 H new ATOM 738 N ASP A 50 11.473 -5.248 -11.479 1.00 64.01 N ATOM 739 CA ASP A 50 11.415 -6.710 -11.607 1.00 64.03 C ATOM 740 C ASP A 50 12.319 -7.397 -10.565 1.00 44.35 C ATOM 741 O ASP A 50 12.096 -8.548 -10.191 1.00 61.22 O ATOM 742 CB ASP A 50 11.810 -7.127 -13.029 1.00 50.20 C ATOM 743 CG ASP A 50 11.602 -8.609 -13.282 1.00 12.22 C ATOM 744 OD1 ASP A 50 10.452 -9.016 -13.563 1.00 33.31 O ATOM 745 OD2 ASP A 50 12.586 -9.375 -13.208 1.00 4.34 O ATOM 0 H ASP A 50 12.034 -4.783 -12.193 1.00 64.01 H new ATOM 0 HA ASP A 50 10.391 -7.032 -11.417 1.00 64.03 H new ATOM 0 HB2 ASP A 50 11.224 -6.554 -13.748 1.00 50.20 H new ATOM 0 HB3 ASP A 50 12.857 -6.877 -13.199 1.00 50.20 H new ATOM 750 N ALA A 51 13.328 -6.674 -10.088 1.00 24.15 N ATOM 751 CA ALA A 51 14.258 -7.205 -9.082 1.00 5.13 C ATOM 752 C ALA A 51 13.651 -7.191 -7.667 1.00 13.24 C ATOM 753 O ALA A 51 14.139 -7.875 -6.766 1.00 22.14 O ATOM 754 CB ALA A 51 15.561 -6.415 -9.108 1.00 34.44 C ATOM 0 H ALA A 51 13.527 -5.717 -10.379 1.00 24.15 H new ATOM 0 HA ALA A 51 14.460 -8.246 -9.336 1.00 5.13 H new ATOM 0 HB1 ALA A 51 16.244 -6.815 -8.359 1.00 34.44 H new ATOM 0 HB2 ALA A 51 16.016 -6.496 -10.095 1.00 34.44 H new ATOM 0 HB3 ALA A 51 15.356 -5.367 -8.888 1.00 34.44 H new ATOM 760 N THR A 52 12.583 -6.416 -7.478 1.00 13.30 N ATOM 761 CA THR A 52 11.929 -6.304 -6.166 1.00 34.24 C ATOM 762 C THR A 52 10.624 -7.113 -6.120 1.00 15.13 C ATOM 763 O THR A 52 9.706 -6.874 -6.909 1.00 25.33 O ATOM 764 CB THR A 52 11.621 -4.828 -5.817 1.00 54.45 C ATOM 765 OG1 THR A 52 12.819 -4.039 -5.906 1.00 63.31 O ATOM 766 CG2 THR A 52 11.033 -4.697 -4.414 1.00 5.12 C ATOM 0 H THR A 52 12.150 -5.856 -8.212 1.00 13.30 H new ATOM 0 HA THR A 52 12.625 -6.709 -5.431 1.00 34.24 H new ATOM 0 HB THR A 52 10.885 -4.465 -6.535 1.00 54.45 H new ATOM 0 HG1 THR A 52 13.031 -3.871 -6.848 1.00 63.31 H new ATOM 0 HG21 THR A 52 10.829 -3.648 -4.202 1.00 5.12 H new ATOM 0 HG22 THR A 52 10.106 -5.267 -4.353 1.00 5.12 H new ATOM 0 HG23 THR A 52 11.744 -5.083 -3.684 1.00 5.12 H new ATOM 774 N THR A 53 10.551 -8.068 -5.194 1.00 25.21 N ATOM 775 CA THR A 53 9.364 -8.919 -5.036 1.00 51.43 C ATOM 776 C THR A 53 8.349 -8.319 -4.056 1.00 72.21 C ATOM 777 O THR A 53 8.708 -7.611 -3.111 1.00 22.15 O ATOM 778 CB THR A 53 9.744 -10.338 -4.547 1.00 20.15 C ATOM 779 OG1 THR A 53 10.536 -10.256 -3.352 1.00 1.50 O ATOM 780 CG2 THR A 53 10.513 -11.101 -5.618 1.00 75.02 C ATOM 0 H THR A 53 11.303 -8.275 -4.536 1.00 25.21 H new ATOM 0 HA THR A 53 8.908 -8.982 -6.024 1.00 51.43 H new ATOM 0 HB THR A 53 8.820 -10.876 -4.334 1.00 20.15 H new ATOM 0 HG1 THR A 53 10.769 -11.159 -3.051 1.00 1.50 H new ATOM 0 HG21 THR A 53 10.766 -12.094 -5.246 1.00 75.02 H new ATOM 0 HG22 THR A 53 9.896 -11.195 -6.512 1.00 75.02 H new ATOM 0 HG23 THR A 53 11.428 -10.561 -5.863 1.00 75.02 H new ATOM 788 N VAL A 54 7.075 -8.623 -4.289 1.00 70.44 N ATOM 789 CA VAL A 54 5.974 -8.117 -3.463 1.00 11.22 C ATOM 790 C VAL A 54 5.260 -9.272 -2.741 1.00 63.32 C ATOM 791 O VAL A 54 5.089 -10.354 -3.303 1.00 25.45 O ATOM 792 CB VAL A 54 4.954 -7.343 -4.333 1.00 63.22 C ATOM 793 CG1 VAL A 54 3.843 -6.737 -3.478 1.00 31.35 C ATOM 794 CG2 VAL A 54 5.665 -6.270 -5.157 1.00 15.03 C ATOM 0 H VAL A 54 6.773 -9.226 -5.054 1.00 70.44 H new ATOM 0 HA VAL A 54 6.396 -7.441 -2.719 1.00 11.22 H new ATOM 0 HB VAL A 54 4.487 -8.049 -5.020 1.00 63.22 H new ATOM 0 HG11 VAL A 54 3.143 -6.200 -4.118 1.00 31.35 H new ATOM 0 HG12 VAL A 54 3.316 -7.532 -2.950 1.00 31.35 H new ATOM 0 HG13 VAL A 54 4.276 -6.046 -2.755 1.00 31.35 H new ATOM 0 HG21 VAL A 54 4.935 -5.734 -5.764 1.00 15.03 H new ATOM 0 HG22 VAL A 54 6.165 -5.570 -4.488 1.00 15.03 H new ATOM 0 HG23 VAL A 54 6.402 -6.740 -5.808 1.00 15.03 H new ATOM 804 N LYS A 55 4.839 -9.034 -1.499 1.00 63.32 N ATOM 805 CA LYS A 55 4.213 -10.081 -0.677 1.00 63.31 C ATOM 806 C LYS A 55 2.988 -9.555 0.092 1.00 21.33 C ATOM 807 O LYS A 55 2.668 -8.367 0.040 1.00 52.40 O ATOM 808 CB LYS A 55 5.255 -10.660 0.294 1.00 20.14 C ATOM 809 CG LYS A 55 6.018 -9.598 1.088 1.00 73.21 C ATOM 810 CD LYS A 55 7.054 -10.219 2.025 1.00 44.42 C ATOM 811 CE LYS A 55 7.915 -9.157 2.702 1.00 40.01 C ATOM 812 NZ LYS A 55 8.756 -8.413 1.724 1.00 34.41 N ATOM 0 H LYS A 55 4.918 -8.128 -1.036 1.00 63.32 H new ATOM 0 HA LYS A 55 3.856 -10.867 -1.342 1.00 63.31 H new ATOM 0 HB2 LYS A 55 4.754 -11.331 0.992 1.00 20.14 H new ATOM 0 HB3 LYS A 55 5.969 -11.261 -0.270 1.00 20.14 H new ATOM 0 HG2 LYS A 55 6.516 -8.917 0.398 1.00 73.21 H new ATOM 0 HG3 LYS A 55 5.313 -9.004 1.669 1.00 73.21 H new ATOM 0 HD2 LYS A 55 6.547 -10.814 2.785 1.00 44.42 H new ATOM 0 HD3 LYS A 55 7.692 -10.899 1.461 1.00 44.42 H new ATOM 0 HE2 LYS A 55 7.273 -8.456 3.235 1.00 40.01 H new ATOM 0 HE3 LYS A 55 8.556 -9.630 3.445 1.00 40.01 H new ATOM 0 HZ1 LYS A 55 9.488 -7.877 2.233 1.00 34.41 H new ATOM 0 HZ2 LYS A 55 9.209 -9.086 1.073 1.00 34.41 H new ATOM 0 HZ3 LYS A 55 8.159 -7.756 1.182 1.00 34.41 H new ATOM 826 N ASP A 56 2.308 -10.450 0.807 1.00 22.24 N ATOM 827 CA ASP A 56 1.093 -10.097 1.550 1.00 23.41 C ATOM 828 C ASP A 56 1.401 -9.212 2.770 1.00 73.34 C ATOM 829 O ASP A 56 2.438 -9.364 3.420 1.00 70.30 O ATOM 830 CB ASP A 56 0.377 -11.373 1.996 1.00 34.32 C ATOM 831 CG ASP A 56 -0.953 -11.094 2.671 1.00 31.34 C ATOM 832 OD1 ASP A 56 -1.971 -10.994 1.962 1.00 64.54 O ATOM 833 OD2 ASP A 56 -0.989 -10.971 3.916 1.00 42.24 O ATOM 0 H ASP A 56 2.577 -11.430 0.889 1.00 22.24 H new ATOM 0 HA ASP A 56 0.449 -9.522 0.885 1.00 23.41 H new ATOM 0 HB2 ASP A 56 0.213 -12.014 1.130 1.00 34.32 H new ATOM 0 HB3 ASP A 56 1.020 -11.924 2.683 1.00 34.32 H new ATOM 838 N GLY A 57 0.481 -8.299 3.078 1.00 33.41 N ATOM 839 CA GLY A 57 0.642 -7.402 4.216 1.00 14.45 C ATOM 840 C GLY A 57 1.808 -6.434 4.053 1.00 12.53 C ATOM 841 O GLY A 57 2.426 -6.018 5.036 1.00 71.11 O ATOM 0 H GLY A 57 -0.383 -8.163 2.554 1.00 33.41 H new ATOM 0 HA2 GLY A 57 -0.278 -6.834 4.356 1.00 14.45 H new ATOM 0 HA3 GLY A 57 0.792 -7.994 5.119 1.00 14.45 H new ATOM 845 N ASP A 58 2.102 -6.062 2.809 1.00 64.43 N ATOM 846 CA ASP A 58 3.251 -5.208 2.510 1.00 63.15 C ATOM 847 C ASP A 58 2.799 -3.803 2.073 1.00 2.14 C ATOM 848 O ASP A 58 1.799 -3.652 1.369 1.00 65.44 O ATOM 849 CB ASP A 58 4.104 -5.871 1.425 1.00 20.33 C ATOM 850 CG ASP A 58 5.478 -5.247 1.295 1.00 42.01 C ATOM 851 OD1 ASP A 58 5.972 -4.677 2.290 1.00 71.33 O ATOM 852 OD2 ASP A 58 6.075 -5.337 0.207 1.00 72.05 O ATOM 0 H ASP A 58 1.560 -6.339 1.990 1.00 64.43 H new ATOM 0 HA ASP A 58 3.849 -5.089 3.413 1.00 63.15 H new ATOM 0 HB2 ASP A 58 4.212 -6.932 1.652 1.00 20.33 H new ATOM 0 HB3 ASP A 58 3.586 -5.800 0.469 1.00 20.33 H new ATOM 857 N ALA A 59 3.540 -2.778 2.488 1.00 32.12 N ATOM 858 CA ALA A 59 3.139 -1.387 2.250 1.00 34.11 C ATOM 859 C ALA A 59 3.717 -0.813 0.946 1.00 62.24 C ATOM 860 O ALA A 59 4.775 -0.178 0.949 1.00 12.32 O ATOM 861 CB ALA A 59 3.538 -0.515 3.435 1.00 32.20 C ATOM 0 H ALA A 59 4.421 -2.881 2.991 1.00 32.12 H new ATOM 0 HA ALA A 59 2.054 -1.384 2.141 1.00 34.11 H new ATOM 0 HB1 ALA A 59 3.235 0.515 3.247 1.00 32.20 H new ATOM 0 HB2 ALA A 59 3.046 -0.879 4.337 1.00 32.20 H new ATOM 0 HB3 ALA A 59 4.619 -0.557 3.570 1.00 32.20 H new ATOM 867 N VAL A 60 3.023 -1.049 -0.167 1.00 31.22 N ATOM 868 CA VAL A 60 3.393 -0.439 -1.451 1.00 25.33 C ATOM 869 C VAL A 60 2.738 0.948 -1.597 1.00 21.34 C ATOM 870 O VAL A 60 1.528 1.071 -1.783 1.00 44.42 O ATOM 871 CB VAL A 60 3.010 -1.344 -2.660 1.00 2.33 C ATOM 872 CG1 VAL A 60 1.530 -1.719 -2.633 1.00 64.52 C ATOM 873 CG2 VAL A 60 3.374 -0.667 -3.985 1.00 71.03 C ATOM 0 H VAL A 60 2.204 -1.655 -0.209 1.00 31.22 H new ATOM 0 HA VAL A 60 4.477 -0.326 -1.455 1.00 25.33 H new ATOM 0 HB VAL A 60 3.586 -2.266 -2.575 1.00 2.33 H new ATOM 0 HG11 VAL A 60 1.299 -2.350 -3.491 1.00 64.52 H new ATOM 0 HG12 VAL A 60 1.309 -2.261 -1.714 1.00 64.52 H new ATOM 0 HG13 VAL A 60 0.924 -0.814 -2.675 1.00 64.52 H new ATOM 0 HG21 VAL A 60 3.097 -1.318 -4.814 1.00 71.03 H new ATOM 0 HG22 VAL A 60 2.837 0.278 -4.070 1.00 71.03 H new ATOM 0 HG23 VAL A 60 4.447 -0.478 -4.014 1.00 71.03 H new ATOM 883 N GLU A 61 3.546 1.992 -1.495 1.00 13.31 N ATOM 884 CA GLU A 61 3.043 3.366 -1.512 1.00 22.13 C ATOM 885 C GLU A 61 3.087 3.957 -2.928 1.00 0.03 C ATOM 886 O GLU A 61 4.128 4.417 -3.399 1.00 34.30 O ATOM 887 CB GLU A 61 3.848 4.213 -0.522 1.00 62.41 C ATOM 888 CG GLU A 61 3.852 3.620 0.884 1.00 0.31 C ATOM 889 CD GLU A 61 4.720 4.386 1.865 1.00 54.00 C ATOM 890 OE1 GLU A 61 4.208 5.333 2.503 1.00 74.14 O ATOM 891 OE2 GLU A 61 5.906 4.031 2.022 1.00 42.43 O ATOM 0 H GLU A 61 4.559 1.918 -1.399 1.00 13.31 H new ATOM 0 HA GLU A 61 1.997 3.367 -1.204 1.00 22.13 H new ATOM 0 HB2 GLU A 61 4.874 4.305 -0.877 1.00 62.41 H new ATOM 0 HB3 GLU A 61 3.432 5.220 -0.487 1.00 62.41 H new ATOM 0 HG2 GLU A 61 2.830 3.593 1.261 1.00 0.31 H new ATOM 0 HG3 GLU A 61 4.200 2.588 0.833 1.00 0.31 H new ATOM 898 N PHE A 62 1.943 3.909 -3.605 1.00 12.22 N ATOM 899 CA PHE A 62 1.832 4.382 -4.985 1.00 72.33 C ATOM 900 C PHE A 62 1.464 5.874 -5.034 1.00 12.34 C ATOM 901 O PHE A 62 0.380 6.266 -4.605 1.00 70.45 O ATOM 902 CB PHE A 62 0.773 3.553 -5.727 1.00 2.15 C ATOM 903 CG PHE A 62 0.700 3.842 -7.205 1.00 51.25 C ATOM 904 CD1 PHE A 62 -0.042 4.911 -7.682 1.00 21.03 C ATOM 905 CD2 PHE A 62 1.378 3.042 -8.111 1.00 5.32 C ATOM 906 CE1 PHE A 62 -0.108 5.176 -9.037 1.00 11.12 C ATOM 907 CE2 PHE A 62 1.318 3.301 -9.467 1.00 4.25 C ATOM 908 CZ PHE A 62 0.575 4.371 -9.931 1.00 53.22 C ATOM 0 H PHE A 62 1.072 3.545 -3.218 1.00 12.22 H new ATOM 0 HA PHE A 62 2.800 4.260 -5.471 1.00 72.33 H new ATOM 0 HB2 PHE A 62 0.988 2.494 -5.583 1.00 2.15 H new ATOM 0 HB3 PHE A 62 -0.203 3.744 -5.280 1.00 2.15 H new ATOM 0 HD1 PHE A 62 -0.574 5.544 -6.987 1.00 21.03 H new ATOM 0 HD2 PHE A 62 1.960 2.206 -7.753 1.00 5.32 H new ATOM 0 HE1 PHE A 62 -0.692 6.010 -9.397 1.00 11.12 H new ATOM 0 HE2 PHE A 62 1.850 2.669 -10.163 1.00 4.25 H new ATOM 0 HZ PHE A 62 0.528 4.578 -10.990 1.00 53.22 H new ATOM 918 N LEU A 63 2.358 6.699 -5.565 1.00 60.53 N ATOM 919 CA LEU A 63 2.119 8.144 -5.651 1.00 73.42 C ATOM 920 C LEU A 63 1.467 8.528 -6.987 1.00 72.55 C ATOM 921 O LEU A 63 1.994 8.226 -8.056 1.00 71.22 O ATOM 922 CB LEU A 63 3.441 8.903 -5.467 1.00 33.01 C ATOM 923 CG LEU A 63 4.213 8.554 -4.187 1.00 53.12 C ATOM 924 CD1 LEU A 63 5.485 9.387 -4.077 1.00 12.12 C ATOM 925 CD2 LEU A 63 3.328 8.738 -2.952 1.00 42.22 C ATOM 0 H LEU A 63 3.256 6.398 -5.944 1.00 60.53 H new ATOM 0 HA LEU A 63 1.429 8.421 -4.854 1.00 73.42 H new ATOM 0 HB2 LEU A 63 4.081 8.702 -6.326 1.00 33.01 H new ATOM 0 HB3 LEU A 63 3.232 9.973 -5.468 1.00 33.01 H new ATOM 0 HG LEU A 63 4.503 7.505 -4.240 1.00 53.12 H new ATOM 0 HD11 LEU A 63 6.015 9.122 -3.162 1.00 12.12 H new ATOM 0 HD12 LEU A 63 6.125 9.190 -4.937 1.00 12.12 H new ATOM 0 HD13 LEU A 63 5.226 10.445 -4.053 1.00 12.12 H new ATOM 0 HD21 LEU A 63 3.896 8.485 -2.057 1.00 42.22 H new ATOM 0 HD22 LEU A 63 2.999 9.775 -2.892 1.00 42.22 H new ATOM 0 HD23 LEU A 63 2.459 8.085 -3.027 1.00 42.22 H new ATOM 937 N TYR A 64 0.324 9.215 -6.917 1.00 75.14 N ATOM 938 CA TYR A 64 -0.405 9.648 -8.120 1.00 54.05 C ATOM 939 C TYR A 64 0.190 10.937 -8.720 1.00 40.52 C ATOM 940 O TYR A 64 -0.489 11.661 -9.452 1.00 2.33 O ATOM 941 CB TYR A 64 -1.895 9.844 -7.792 1.00 53.44 C ATOM 942 CG TYR A 64 -2.640 8.545 -7.536 1.00 32.25 C ATOM 943 CD1 TYR A 64 -2.534 7.882 -6.316 1.00 34.01 C ATOM 944 CD2 TYR A 64 -3.451 7.982 -8.517 1.00 61.23 C ATOM 945 CE1 TYR A 64 -3.211 6.698 -6.085 1.00 73.03 C ATOM 946 CE2 TYR A 64 -4.133 6.801 -8.292 1.00 20.41 C ATOM 947 CZ TYR A 64 -4.012 6.163 -7.077 1.00 51.53 C ATOM 948 OH TYR A 64 -4.700 4.987 -6.853 1.00 63.25 O ATOM 0 H TYR A 64 -0.120 9.486 -6.040 1.00 75.14 H new ATOM 0 HA TYR A 64 -0.303 8.864 -8.871 1.00 54.05 H new ATOM 0 HB2 TYR A 64 -1.983 10.483 -6.913 1.00 53.44 H new ATOM 0 HB3 TYR A 64 -2.374 10.370 -8.618 1.00 53.44 H new ATOM 0 HD1 TYR A 64 -1.913 8.299 -5.537 1.00 34.01 H new ATOM 0 HD2 TYR A 64 -3.549 8.477 -9.472 1.00 61.23 H new ATOM 0 HE1 TYR A 64 -3.114 6.194 -5.135 1.00 73.03 H new ATOM 0 HE2 TYR A 64 -4.758 6.380 -9.066 1.00 20.41 H new ATOM 0 HH TYR A 64 -5.216 4.752 -7.653 1.00 63.25 H new ATOM 958 N PHE A 65 1.467 11.205 -8.413 1.00 52.23 N ATOM 959 CA PHE A 65 2.214 12.330 -9.002 1.00 4.11 C ATOM 960 C PHE A 65 1.568 13.684 -8.660 1.00 20.53 C ATOM 961 O PHE A 65 1.692 14.649 -9.417 1.00 13.01 O ATOM 962 CB PHE A 65 2.314 12.156 -10.529 1.00 41.11 C ATOM 963 CG PHE A 65 2.704 10.759 -10.945 1.00 74.52 C ATOM 964 CD1 PHE A 65 3.961 10.255 -10.647 1.00 30.02 C ATOM 965 CD2 PHE A 65 1.804 9.944 -11.619 1.00 34.14 C ATOM 966 CE1 PHE A 65 4.310 8.972 -11.011 1.00 74.51 C ATOM 967 CE2 PHE A 65 2.149 8.660 -11.987 1.00 63.34 C ATOM 968 CZ PHE A 65 3.403 8.172 -11.682 1.00 64.10 C ATOM 0 H PHE A 65 2.011 10.651 -7.752 1.00 52.23 H new ATOM 0 HA PHE A 65 3.216 12.326 -8.573 1.00 4.11 H new ATOM 0 HB2 PHE A 65 1.354 12.408 -10.980 1.00 41.11 H new ATOM 0 HB3 PHE A 65 3.046 12.862 -10.921 1.00 41.11 H new ATOM 0 HD1 PHE A 65 4.674 10.874 -10.124 1.00 30.02 H new ATOM 0 HD2 PHE A 65 0.820 10.321 -11.858 1.00 34.14 H new ATOM 0 HE1 PHE A 65 5.292 8.591 -10.772 1.00 74.51 H new ATOM 0 HE2 PHE A 65 1.439 8.038 -12.513 1.00 63.34 H new ATOM 0 HZ PHE A 65 3.676 7.167 -11.967 1.00 64.10 H new ATOM 978 N MET A 66 0.916 13.749 -7.496 1.00 62.24 N ATOM 979 CA MET A 66 0.181 14.945 -7.058 1.00 54.31 C ATOM 980 C MET A 66 -0.857 15.377 -8.111 1.00 55.22 C ATOM 981 O MET A 66 -0.565 16.177 -9.005 1.00 31.24 O ATOM 982 CB MET A 66 1.158 16.093 -6.746 1.00 40.35 C ATOM 983 CG MET A 66 0.536 17.276 -6.003 1.00 71.00 C ATOM 984 SD MET A 66 -0.785 18.093 -6.928 1.00 62.15 S ATOM 985 CE MET A 66 -1.100 19.519 -5.886 1.00 71.14 C ATOM 0 H MET A 66 0.881 12.977 -6.830 1.00 62.24 H new ATOM 0 HA MET A 66 -0.359 14.695 -6.145 1.00 54.31 H new ATOM 0 HB2 MET A 66 1.982 15.699 -6.150 1.00 40.35 H new ATOM 0 HB3 MET A 66 1.585 16.453 -7.682 1.00 40.35 H new ATOM 0 HG2 MET A 66 0.140 16.928 -5.049 1.00 71.00 H new ATOM 0 HG3 MET A 66 1.315 18.004 -5.778 1.00 71.00 H new ATOM 0 HE1 MET A 66 -1.894 20.123 -6.326 1.00 71.14 H new ATOM 0 HE2 MET A 66 -1.405 19.185 -4.895 1.00 71.14 H new ATOM 0 HE3 MET A 66 -0.192 20.117 -5.804 1.00 71.14 H new ATOM 995 N GLY A 67 -2.063 14.830 -8.008 1.00 75.23 N ATOM 996 CA GLY A 67 -3.123 15.154 -8.961 1.00 33.21 C ATOM 997 C GLY A 67 -4.503 14.682 -8.513 1.00 62.01 C ATOM 998 O GLY A 67 -5.429 14.586 -9.322 1.00 10.40 O ATOM 0 H GLY A 67 -2.332 14.166 -7.282 1.00 75.23 H new ATOM 0 HA2 GLY A 67 -3.148 16.233 -9.113 1.00 33.21 H new ATOM 0 HA3 GLY A 67 -2.887 14.701 -9.924 1.00 33.21 H new ATOM 1002 N GLY A 68 -4.649 14.394 -7.222 1.00 13.22 N ATOM 1003 CA GLY A 68 -5.925 13.924 -6.695 1.00 42.14 C ATOM 1004 C GLY A 68 -6.759 15.035 -6.062 1.00 2.50 C ATOM 1005 O GLY A 68 -7.985 14.914 -5.948 1.00 53.51 O ATOM 0 H GLY A 68 -3.906 14.477 -6.528 1.00 13.22 H new ATOM 0 HA2 GLY A 68 -6.496 13.464 -7.501 1.00 42.14 H new ATOM 0 HA3 GLY A 68 -5.740 13.148 -5.952 1.00 42.14 H new ATOM 1009 N GLY A 69 -6.098 16.120 -5.653 1.00 34.40 N ATOM 1010 CA GLY A 69 -6.781 17.220 -4.977 1.00 61.15 C ATOM 1011 C GLY A 69 -7.431 16.795 -3.662 1.00 70.21 C ATOM 1012 O GLY A 69 -6.848 16.951 -2.589 1.00 54.34 O ATOM 0 H GLY A 69 -5.095 16.258 -5.778 1.00 34.40 H new ATOM 0 HA2 GLY A 69 -6.067 18.020 -4.782 1.00 61.15 H new ATOM 0 HA3 GLY A 69 -7.545 17.629 -5.639 1.00 61.15 H new ATOM 1016 N LYS A 70 -8.646 16.257 -3.754 1.00 34.11 N ATOM 1017 CA LYS A 70 -9.388 15.763 -2.585 1.00 53.22 C ATOM 1018 C LYS A 70 -10.004 14.382 -2.871 1.00 5.24 C ATOM 1019 O LYS A 70 -11.047 14.026 -2.317 1.00 41.13 O ATOM 1020 CB LYS A 70 -10.484 16.766 -2.195 1.00 4.14 C ATOM 1021 CG LYS A 70 -9.947 18.101 -1.688 1.00 53.44 C ATOM 1022 CD LYS A 70 -11.074 19.057 -1.304 1.00 64.42 C ATOM 1023 CE LYS A 70 -10.539 20.363 -0.729 1.00 32.41 C ATOM 1024 NZ LYS A 70 -9.792 20.155 0.541 1.00 31.02 N ATOM 0 H LYS A 70 -9.146 16.149 -4.636 1.00 34.11 H new ATOM 0 HA LYS A 70 -8.691 15.658 -1.753 1.00 53.22 H new ATOM 0 HB2 LYS A 70 -11.122 16.947 -3.060 1.00 4.14 H new ATOM 0 HB3 LYS A 70 -11.112 16.321 -1.423 1.00 4.14 H new ATOM 0 HG2 LYS A 70 -9.305 17.930 -0.824 1.00 53.44 H new ATOM 0 HG3 LYS A 70 -9.328 18.560 -2.459 1.00 53.44 H new ATOM 0 HD2 LYS A 70 -11.685 19.270 -2.181 1.00 64.42 H new ATOM 0 HD3 LYS A 70 -11.724 18.577 -0.572 1.00 64.42 H new ATOM 0 HE2 LYS A 70 -9.884 20.838 -1.460 1.00 32.41 H new ATOM 0 HE3 LYS A 70 -11.369 21.047 -0.552 1.00 32.41 H new ATOM 0 HZ1 LYS A 70 -9.638 21.072 1.008 1.00 31.02 H new ATOM 0 HZ2 LYS A 70 -10.341 19.534 1.169 1.00 31.02 H new ATOM 0 HZ3 LYS A 70 -8.873 19.713 0.335 1.00 31.02 H new ATOM 1038 N LEU A 71 -9.336 13.608 -3.733 1.00 42.14 N ATOM 1039 CA LEU A 71 -9.780 12.255 -4.102 1.00 42.24 C ATOM 1040 C LEU A 71 -11.098 12.285 -4.896 1.00 51.23 C ATOM 1041 O LEU A 71 -11.581 13.350 -5.290 1.00 44.31 O ATOM 1042 CB LEU A 71 -9.934 11.368 -2.849 1.00 34.24 C ATOM 1043 CG LEU A 71 -8.659 11.182 -2.008 1.00 2.00 C ATOM 1044 CD1 LEU A 71 -8.949 10.339 -0.767 1.00 64.31 C ATOM 1045 CD2 LEU A 71 -7.544 10.551 -2.843 1.00 61.42 C ATOM 0 H LEU A 71 -8.474 13.899 -4.195 1.00 42.14 H new ATOM 0 HA LEU A 71 -9.011 11.827 -4.745 1.00 42.24 H new ATOM 0 HB2 LEU A 71 -10.708 11.798 -2.213 1.00 34.24 H new ATOM 0 HB3 LEU A 71 -10.288 10.386 -3.162 1.00 34.24 H new ATOM 0 HG LEU A 71 -8.322 12.166 -1.681 1.00 2.00 H new ATOM 0 HD11 LEU A 71 -8.034 10.220 -0.186 1.00 64.31 H new ATOM 0 HD12 LEU A 71 -9.703 10.836 -0.157 1.00 64.31 H new ATOM 0 HD13 LEU A 71 -9.316 9.359 -1.071 1.00 64.31 H new ATOM 0 HD21 LEU A 71 -6.653 10.429 -2.227 1.00 61.42 H new ATOM 0 HD22 LEU A 71 -7.869 9.577 -3.207 1.00 61.42 H new ATOM 0 HD23 LEU A 71 -7.314 11.197 -3.690 1.00 61.42 H new ATOM 1057 N GLU A 72 -11.666 11.108 -5.146 1.00 22.44 N ATOM 1058 CA GLU A 72 -12.938 11.003 -5.864 1.00 11.15 C ATOM 1059 C GLU A 72 -13.803 9.862 -5.308 1.00 55.30 C ATOM 1060 O GLU A 72 -13.435 8.690 -5.386 1.00 64.24 O ATOM 1061 CB GLU A 72 -12.685 10.797 -7.363 1.00 43.51 C ATOM 1062 CG GLU A 72 -13.961 10.666 -8.185 1.00 61.12 C ATOM 1063 CD GLU A 72 -13.699 10.556 -9.677 1.00 22.44 C ATOM 1064 OE1 GLU A 72 -13.464 9.432 -10.164 1.00 2.41 O ATOM 1065 OE2 GLU A 72 -13.742 11.590 -10.372 1.00 1.22 O ATOM 0 H GLU A 72 -11.268 10.213 -4.863 1.00 22.44 H new ATOM 0 HA GLU A 72 -13.483 11.936 -5.719 1.00 11.15 H new ATOM 0 HB2 GLU A 72 -12.102 11.636 -7.743 1.00 43.51 H new ATOM 0 HB3 GLU A 72 -12.080 9.901 -7.501 1.00 43.51 H new ATOM 0 HG2 GLU A 72 -14.511 9.786 -7.853 1.00 61.12 H new ATOM 0 HG3 GLU A 72 -14.598 11.530 -7.997 1.00 61.12 H new ATOM 1072 N HIS A 73 -14.954 10.212 -4.734 1.00 63.22 N ATOM 1073 CA HIS A 73 -15.887 9.212 -4.200 1.00 74.35 C ATOM 1074 C HIS A 73 -17.310 9.432 -4.728 1.00 12.30 C ATOM 1075 O HIS A 73 -18.165 9.993 -4.043 1.00 31.52 O ATOM 1076 CB HIS A 73 -15.884 9.226 -2.666 1.00 31.34 C ATOM 1077 CG HIS A 73 -14.560 8.863 -2.069 1.00 11.20 C ATOM 1078 ND1 HIS A 73 -14.123 7.562 -1.953 1.00 71.12 N ATOM 1079 CD2 HIS A 73 -13.568 9.633 -1.562 1.00 43.41 C ATOM 1080 CE1 HIS A 73 -12.928 7.546 -1.404 1.00 51.14 C ATOM 1081 NE2 HIS A 73 -12.562 8.789 -1.156 1.00 3.22 N ATOM 0 H HIS A 73 -15.265 11.177 -4.626 1.00 63.22 H new ATOM 0 HA HIS A 73 -15.547 8.235 -4.542 1.00 74.35 H new ATOM 0 HB2 HIS A 73 -16.170 10.219 -2.319 1.00 31.34 H new ATOM 0 HB3 HIS A 73 -16.641 8.531 -2.303 1.00 31.34 H new ATOM 0 HD2 HIS A 73 -13.567 10.711 -1.490 1.00 43.41 H new ATOM 0 HE1 HIS A 73 -12.344 6.663 -1.192 1.00 51.14 H new ATOM 0 HE2 HIS A 73 -11.679 9.076 -0.733 1.00 3.22 H new ATOM 1090 N HIS A 74 -17.546 9.008 -5.964 1.00 32.04 N ATOM 1091 CA HIS A 74 -18.882 9.050 -6.556 1.00 0.44 C ATOM 1092 C HIS A 74 -19.649 7.769 -6.213 1.00 33.04 C ATOM 1093 O HIS A 74 -20.795 7.823 -5.769 1.00 35.44 O ATOM 1094 CB HIS A 74 -18.791 9.237 -8.077 1.00 23.22 C ATOM 1095 CG HIS A 74 -18.263 10.581 -8.492 1.00 52.10 C ATOM 1096 ND1 HIS A 74 -17.272 11.350 -7.976 1.00 15.43 N flip ATOM 1097 CD2 HIS A 74 -18.760 11.284 -9.568 1.00 14.35 C flip ATOM 1098 CE1 HIS A 74 -17.194 12.484 -8.747 1.00 64.53 C flip ATOM 1099 NE2 HIS A 74 -18.101 12.418 -9.701 1.00 21.23 N flip ATOM 0 H HIS A 74 -16.827 8.629 -6.580 1.00 32.04 H new ATOM 0 HA HIS A 74 -19.423 9.901 -6.142 1.00 0.44 H new ATOM 0 HB2 HIS A 74 -18.148 8.461 -8.491 1.00 23.22 H new ATOM 0 HB3 HIS A 74 -19.781 9.096 -8.511 1.00 23.22 H new ATOM 0 HD2 HIS A 74 -19.567 10.956 -10.206 1.00 14.35 H new ATOM 0 HE1 HIS A 74 -16.501 13.299 -8.596 1.00 64.53 H new ATOM 0 HE2 HIS A 74 -18.265 13.123 -10.419 1.00 21.23 H new ATOM 1108 N HIS A 75 -18.991 6.618 -6.409 1.00 73.11 N ATOM 1109 CA HIS A 75 -19.559 5.305 -6.059 1.00 72.54 C ATOM 1110 C HIS A 75 -20.799 4.974 -6.918 1.00 73.20 C ATOM 1111 O HIS A 75 -21.488 5.870 -7.408 1.00 2.32 O ATOM 1112 CB HIS A 75 -19.908 5.279 -4.557 1.00 21.53 C ATOM 1113 CG HIS A 75 -20.163 3.912 -3.993 1.00 50.15 C ATOM 1114 ND1 HIS A 75 -19.175 3.148 -3.416 1.00 73.44 N ATOM 1115 CD2 HIS A 75 -21.301 3.180 -3.895 1.00 14.10 C ATOM 1116 CE1 HIS A 75 -19.684 2.012 -2.992 1.00 72.34 C ATOM 1117 NE2 HIS A 75 -20.972 2.004 -3.266 1.00 62.52 N ATOM 0 H HIS A 75 -18.055 6.569 -6.812 1.00 73.11 H new ATOM 0 HA HIS A 75 -18.812 4.539 -6.268 1.00 72.54 H new ATOM 0 HB2 HIS A 75 -19.091 5.739 -4.001 1.00 21.53 H new ATOM 0 HB3 HIS A 75 -20.792 5.895 -4.393 1.00 21.53 H new ATOM 0 HD2 HIS A 75 -22.281 3.468 -4.246 1.00 14.10 H new ATOM 0 HE1 HIS A 75 -19.138 1.220 -2.502 1.00 72.34 H new ATOM 0 HE2 HIS A 75 -21.620 1.247 -3.047 1.00 62.52 H new ATOM 1126 N HIS A 76 -21.080 3.682 -7.106 1.00 71.31 N ATOM 1127 CA HIS A 76 -22.256 3.258 -7.877 1.00 5.54 C ATOM 1128 C HIS A 76 -23.553 3.868 -7.314 1.00 23.34 C ATOM 1129 O HIS A 76 -24.085 3.403 -6.307 1.00 10.53 O ATOM 1130 CB HIS A 76 -22.376 1.726 -7.902 1.00 72.24 C ATOM 1131 CG HIS A 76 -21.280 1.035 -8.653 1.00 25.14 C ATOM 1132 ND1 HIS A 76 -20.740 1.525 -9.821 1.00 44.14 N ATOM 1133 CD2 HIS A 76 -20.630 -0.130 -8.406 1.00 61.15 C ATOM 1134 CE1 HIS A 76 -19.814 0.696 -10.258 1.00 13.13 C ATOM 1135 NE2 HIS A 76 -19.726 -0.316 -9.421 1.00 12.43 N ATOM 0 H HIS A 76 -20.516 2.916 -6.739 1.00 71.31 H new ATOM 0 HA HIS A 76 -22.117 3.621 -8.895 1.00 5.54 H new ATOM 0 HB2 HIS A 76 -22.387 1.357 -6.876 1.00 72.24 H new ATOM 0 HB3 HIS A 76 -23.333 1.455 -8.348 1.00 72.24 H new ATOM 0 HD2 HIS A 76 -20.794 -0.789 -7.566 1.00 61.15 H new ATOM 0 HE1 HIS A 76 -19.225 0.825 -11.154 1.00 13.13 H new ATOM 0 HE2 HIS A 76 -19.090 -1.108 -9.512 1.00 12.43 H new ATOM 1144 N HIS A 77 -24.030 4.935 -7.950 1.00 74.41 N ATOM 1145 CA HIS A 77 -25.299 5.572 -7.570 1.00 3.22 C ATOM 1146 C HIS A 77 -26.169 5.853 -8.804 1.00 70.45 C ATOM 1147 O HIS A 77 -25.666 6.252 -9.853 1.00 53.54 O ATOM 1148 CB HIS A 77 -25.048 6.882 -6.812 1.00 44.12 C ATOM 1149 CG HIS A 77 -24.438 6.697 -5.456 1.00 43.22 C ATOM 1150 ND1 HIS A 77 -23.271 7.313 -5.064 1.00 51.51 N ATOM 1151 CD2 HIS A 77 -24.855 5.984 -4.382 1.00 14.24 C ATOM 1152 CE1 HIS A 77 -22.996 6.991 -3.820 1.00 55.43 C ATOM 1153 NE2 HIS A 77 -23.941 6.186 -3.379 1.00 3.21 N ATOM 0 H HIS A 77 -23.558 5.382 -8.736 1.00 74.41 H new ATOM 0 HA HIS A 77 -25.828 4.878 -6.917 1.00 3.22 H new ATOM 0 HB2 HIS A 77 -24.393 7.515 -7.410 1.00 44.12 H new ATOM 0 HB3 HIS A 77 -25.993 7.414 -6.704 1.00 44.12 H new ATOM 0 HD1 HIS A 77 -22.705 7.927 -5.650 1.00 51.51 H new ATOM 0 HD2 HIS A 77 -25.742 5.371 -4.326 1.00 14.24 H new ATOM 0 HE1 HIS A 77 -22.140 7.329 -3.255 1.00 55.43 H new ATOM 1162 N HIS A 78 -27.475 5.633 -8.667 1.00 11.34 N ATOM 1163 CA HIS A 78 -28.434 5.888 -9.750 1.00 52.33 C ATOM 1164 C HIS A 78 -29.874 6.035 -9.207 1.00 11.34 C ATOM 1165 O HIS A 78 -30.577 5.012 -9.047 1.00 38.47 O ATOM 1166 CB HIS A 78 -28.346 4.778 -10.820 1.00 4.24 C ATOM 1167 CG HIS A 78 -28.205 3.389 -10.265 1.00 52.33 C ATOM 1168 ND1 HIS A 78 -29.237 2.702 -9.670 1.00 72.02 N ATOM 1169 CD2 HIS A 78 -27.140 2.551 -10.231 1.00 44.14 C ATOM 1170 CE1 HIS A 78 -28.821 1.511 -9.298 1.00 1.13 C ATOM 1171 NE2 HIS A 78 -27.551 1.389 -9.626 1.00 60.11 N ATOM 1172 OXT HIS A 78 -30.291 7.184 -8.935 1.00 38.47 O ATOM 0 H HIS A 78 -27.900 5.276 -7.811 1.00 11.34 H new ATOM 0 HA HIS A 78 -28.171 6.835 -10.220 1.00 52.33 H new ATOM 0 HB2 HIS A 78 -29.240 4.818 -11.442 1.00 4.24 H new ATOM 0 HB3 HIS A 78 -27.496 4.984 -11.470 1.00 4.24 H new ATOM 0 HD1 HIS A 78 -30.182 3.062 -9.537 1.00 72.02 H new ATOM 0 HD2 HIS A 78 -26.150 2.759 -10.610 1.00 44.14 H new ATOM 0 HE1 HIS A 78 -29.420 0.759 -8.806 1.00 1.13 H new TER 1181 HIS A 78