USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 914 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 32 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -154:sc= 1.21 (180deg=0.308) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -0.0106 (180deg=-0.0771) USER MOD Single : A 15 SER OG : rot -44:sc= 0.0538 USER MOD Single : A 16 ASN : amide:sc= -4.69! C(o=-4.7!,f=-9.5!) USER MOD Single : A 24 HIS : no HD1:sc= -0.879 X(o=-0.88,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.00337) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -39:sc= -4.89! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -150:sc= 0.453 (180deg=0.0633) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -160:sc= 0 USER MOD Single : A 68 THR OG1 : rot 128:sc= -2.47! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 77 TYR OH : rot -70:sc= 1.79 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.557 X(o=-0.56,f=-0.54) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.879! USER MOD Single : A 95 SER OG : rot -58:sc= 0.497 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -173:sc= -4.36! USER MOD Single : A 100 THR OG1 : rot -80:sc= 0.612 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -56:sc= 0.589 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -0.838 12.784 18.988 1.00 7.08 N ATOM 2 CA ASP A 1 -1.350 12.205 17.712 1.00 6.65 C ATOM 3 C ASP A 1 -1.232 10.679 17.740 1.00 5.96 C ATOM 4 O ASP A 1 -0.177 10.132 17.992 1.00 6.16 O ATOM 5 CB ASP A 1 -0.450 12.792 16.625 1.00 7.15 C ATOM 6 CG ASP A 1 -1.069 14.085 16.091 1.00 7.15 C ATOM 7 OD1 ASP A 1 -1.050 15.069 16.812 1.00 7.37 O ATOM 8 OD2 ASP A 1 -1.550 14.070 14.970 1.00 7.22 O ATOM 0 H1 ASP A 1 -0.923 13.820 18.958 1.00 7.08 H new ATOM 0 H2 ASP A 1 -1.394 12.414 19.785 1.00 7.08 H new ATOM 0 H3 ASP A 1 0.161 12.522 19.112 1.00 7.08 H new ATOM 0 HA ASP A 1 -2.401 12.439 17.543 1.00 6.65 H new ATOM 0 HB2 ASP A 1 0.543 12.992 17.029 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -0.326 12.074 15.814 1.00 7.15 H new ATOM 15 N ALA A 2 -2.309 9.988 17.481 1.00 5.41 N ATOM 16 CA ALA A 2 -2.255 8.498 17.490 1.00 4.78 C ATOM 17 C ALA A 2 -3.001 7.934 16.274 1.00 3.77 C ATOM 18 O ALA A 2 -4.192 7.703 16.336 1.00 3.42 O ATOM 19 CB ALA A 2 -2.950 8.084 18.788 1.00 5.00 C ATOM 0 H ALA A 2 -3.221 10.389 17.264 1.00 5.41 H new ATOM 0 HA ALA A 2 -1.234 8.121 17.438 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -2.952 6.997 18.869 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -2.417 8.511 19.638 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -3.977 8.449 18.783 1.00 5.00 H new ATOM 25 N PRO A 3 -2.274 7.736 15.201 1.00 3.56 N ATOM 26 CA PRO A 3 -2.886 7.198 13.964 1.00 2.78 C ATOM 27 C PRO A 3 -3.099 5.686 14.086 1.00 2.04 C ATOM 28 O PRO A 3 -2.304 4.984 14.679 1.00 2.31 O ATOM 29 CB PRO A 3 -1.856 7.512 12.886 1.00 3.38 C ATOM 30 CG PRO A 3 -0.546 7.612 13.607 1.00 4.09 C ATOM 31 CD PRO A 3 -0.835 7.992 15.038 1.00 4.30 C ATOM 0 HA PRO A 3 -3.864 7.628 13.751 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -1.829 6.729 12.128 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -2.095 8.444 12.373 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -0.013 6.662 13.564 1.00 4.09 H new ATOM 0 HG3 PRO A 3 0.094 8.358 13.135 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -0.244 7.397 15.734 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -0.593 9.038 15.228 1.00 4.30 H new ATOM 39 N GLU A 4 -4.163 5.181 13.527 1.00 1.37 N ATOM 40 CA GLU A 4 -4.423 3.715 13.606 1.00 1.14 C ATOM 41 C GLU A 4 -3.527 2.969 12.613 1.00 0.89 C ATOM 42 O GLU A 4 -3.313 3.413 11.503 1.00 1.30 O ATOM 43 CB GLU A 4 -5.896 3.554 13.227 1.00 1.67 C ATOM 44 CG GLU A 4 -6.588 2.648 14.247 1.00 2.39 C ATOM 45 CD GLU A 4 -5.534 1.931 15.090 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.858 2.600 15.855 1.00 3.09 O ATOM 47 OE2 GLU A 4 -5.416 0.724 14.955 1.00 3.05 O ATOM 0 H GLU A 4 -4.864 5.719 13.019 1.00 1.37 H new ATOM 0 HA GLU A 4 -4.211 3.308 14.595 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.384 4.528 13.199 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.981 3.126 12.228 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -7.242 3.238 14.889 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -7.217 1.920 13.735 1.00 2.39 H new ATOM 54 N GLU A 5 -2.999 1.841 13.003 1.00 1.00 N ATOM 55 CA GLU A 5 -2.114 1.075 12.075 1.00 0.81 C ATOM 56 C GLU A 5 -2.079 -0.401 12.456 1.00 0.87 C ATOM 57 O GLU A 5 -2.748 -0.843 13.369 1.00 1.15 O ATOM 58 CB GLU A 5 -0.723 1.690 12.234 1.00 0.95 C ATOM 59 CG GLU A 5 -0.333 1.708 13.715 1.00 1.46 C ATOM 60 CD GLU A 5 1.105 1.209 13.871 1.00 1.82 C ATOM 61 OE1 GLU A 5 1.434 0.210 13.253 1.00 2.19 O ATOM 62 OE2 GLU A 5 1.852 1.834 14.604 1.00 2.50 O ATOM 0 H GLU A 5 -3.140 1.417 13.920 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.472 1.131 11.047 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.007 1.116 11.663 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.715 2.704 11.833 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -0.424 2.719 14.113 1.00 1.46 H new ATOM 0 HG3 GLU A 5 -1.012 1.077 14.288 1.00 1.46 H new ATOM 69 N GLU A 6 -1.296 -1.163 11.750 1.00 0.79 N ATOM 70 CA GLU A 6 -1.195 -2.621 12.049 1.00 1.04 C ATOM 71 C GLU A 6 0.274 -3.026 12.221 1.00 1.10 C ATOM 72 O GLU A 6 1.141 -2.193 12.398 1.00 1.76 O ATOM 73 CB GLU A 6 -1.810 -3.312 10.832 1.00 1.28 C ATOM 74 CG GLU A 6 -3.277 -3.638 11.120 1.00 1.68 C ATOM 75 CD GLU A 6 -3.501 -5.146 10.993 1.00 1.97 C ATOM 76 OE1 GLU A 6 -3.206 -5.682 9.938 1.00 2.63 O ATOM 77 OE2 GLU A 6 -3.961 -5.739 11.954 1.00 2.24 O ATOM 0 H GLU A 6 -0.718 -0.840 10.974 1.00 0.79 H new ATOM 0 HA GLU A 6 -1.705 -2.894 12.973 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -1.734 -2.667 9.957 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -1.261 -4.225 10.603 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -3.545 -3.303 12.122 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -3.923 -3.104 10.423 1.00 1.68 H new ATOM 84 N ASP A 7 0.557 -4.301 12.179 1.00 1.27 N ATOM 85 CA ASP A 7 1.967 -4.766 12.347 1.00 1.35 C ATOM 86 C ASP A 7 2.879 -4.129 11.292 1.00 1.28 C ATOM 87 O ASP A 7 2.933 -4.567 10.161 1.00 2.01 O ATOM 88 CB ASP A 7 1.906 -6.281 12.152 1.00 1.53 C ATOM 89 CG ASP A 7 1.450 -6.947 13.452 1.00 1.92 C ATOM 90 OD1 ASP A 7 0.374 -6.613 13.919 1.00 2.57 O ATOM 91 OD2 ASP A 7 2.185 -7.781 13.957 1.00 2.36 O ATOM 0 H ASP A 7 -0.128 -5.043 12.035 1.00 1.27 H new ATOM 0 HA ASP A 7 2.374 -4.489 13.319 1.00 1.35 H new ATOM 0 HB2 ASP A 7 1.216 -6.527 11.344 1.00 1.53 H new ATOM 0 HB3 ASP A 7 2.886 -6.660 11.861 1.00 1.53 H new ATOM 96 N HIS A 8 3.603 -3.106 11.658 1.00 1.21 N ATOM 97 CA HIS A 8 4.521 -2.445 10.681 1.00 1.11 C ATOM 98 C HIS A 8 3.779 -2.110 9.382 1.00 0.81 C ATOM 99 O HIS A 8 4.367 -2.045 8.321 1.00 0.87 O ATOM 100 CB HIS A 8 5.625 -3.470 10.416 1.00 1.32 C ATOM 101 CG HIS A 8 6.496 -3.597 11.636 1.00 1.61 C ATOM 102 ND1 HIS A 8 7.652 -2.851 11.801 1.00 2.30 N ATOM 103 CD2 HIS A 8 6.392 -4.381 12.759 1.00 2.02 C ATOM 104 CE1 HIS A 8 8.193 -3.198 12.983 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.465 -4.127 13.608 1.00 2.33 N ATOM 0 H HIS A 8 3.600 -2.697 12.593 1.00 1.21 H new ATOM 0 HA HIS A 8 4.917 -1.505 11.067 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.186 -4.436 10.167 1.00 1.32 H new ATOM 0 HB3 HIS A 8 6.224 -3.162 9.559 1.00 1.32 H new ATOM 0 HD2 HIS A 8 5.598 -5.087 12.954 1.00 2.02 H new ATOM 0 HE1 HIS A 8 9.105 -2.776 13.378 1.00 2.53 H new ATOM 0 HE2 HIS A 8 7.655 -4.558 14.513 1.00 2.33 H new ATOM 113 N VAL A 9 2.495 -1.888 9.458 1.00 0.69 N ATOM 114 CA VAL A 9 1.720 -1.549 8.229 1.00 0.49 C ATOM 115 C VAL A 9 0.587 -0.581 8.586 1.00 0.41 C ATOM 116 O VAL A 9 0.079 -0.592 9.691 1.00 0.54 O ATOM 117 CB VAL A 9 1.163 -2.884 7.725 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.174 -2.642 6.582 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.315 -3.749 7.213 1.00 0.89 C ATOM 0 H VAL A 9 1.948 -1.927 10.318 1.00 0.69 H new ATOM 0 HA VAL A 9 2.330 -1.061 7.469 1.00 0.49 H new ATOM 0 HB VAL A 9 0.650 -3.389 8.544 1.00 0.68 H new ATOM 0 HG11 VAL A 9 -0.216 -3.597 6.230 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.649 -2.022 6.938 1.00 0.88 H new ATOM 0 HG13 VAL A 9 0.682 -2.134 5.762 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.923 -4.700 6.853 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.822 -3.234 6.397 1.00 0.89 H new ATOM 0 HG23 VAL A 9 3.022 -3.930 8.023 1.00 0.89 H new ATOM 129 N LEU A 10 0.196 0.267 7.672 1.00 0.41 N ATOM 130 CA LEU A 10 -0.892 1.235 7.987 1.00 0.54 C ATOM 131 C LEU A 10 -2.215 0.820 7.354 1.00 0.42 C ATOM 132 O LEU A 10 -2.339 -0.210 6.720 1.00 0.59 O ATOM 133 CB LEU A 10 -0.440 2.569 7.395 1.00 0.83 C ATOM 134 CG LEU A 10 -0.089 3.546 8.521 1.00 0.96 C ATOM 135 CD1 LEU A 10 -1.345 3.838 9.344 1.00 1.30 C ATOM 136 CD2 LEU A 10 0.987 2.934 9.422 1.00 1.49 C ATOM 0 H LEU A 10 0.580 0.331 6.729 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.060 1.287 9.063 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.426 2.416 6.751 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -1.231 2.987 6.772 1.00 0.83 H new ATOM 0 HG LEU A 10 0.291 4.473 8.093 1.00 0.96 H new ATOM 0 HD11 LEU A 10 -1.100 4.533 10.147 1.00 1.30 H new ATOM 0 HD12 LEU A 10 -2.107 4.280 8.701 1.00 1.30 H new ATOM 0 HD13 LEU A 10 -1.724 2.910 9.771 1.00 1.30 H new ATOM 0 HD21 LEU A 10 1.233 3.633 10.221 1.00 1.49 H new ATOM 0 HD22 LEU A 10 0.615 2.005 9.854 1.00 1.49 H new ATOM 0 HD23 LEU A 10 1.881 2.727 8.833 1.00 1.49 H new ATOM 148 N VAL A 11 -3.197 1.648 7.522 1.00 0.54 N ATOM 149 CA VAL A 11 -4.543 1.370 6.949 1.00 0.46 C ATOM 150 C VAL A 11 -5.169 2.683 6.486 1.00 0.43 C ATOM 151 O VAL A 11 -5.045 3.700 7.139 1.00 0.54 O ATOM 152 CB VAL A 11 -5.349 0.763 8.096 1.00 0.61 C ATOM 153 CG1 VAL A 11 -6.741 0.376 7.593 1.00 1.04 C ATOM 154 CG2 VAL A 11 -4.632 -0.482 8.622 1.00 1.39 C ATOM 0 H VAL A 11 -3.127 2.523 8.041 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.508 0.700 6.090 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.443 1.494 8.899 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -7.316 -0.057 8.411 1.00 1.04 H new ATOM 0 HG12 VAL A 11 -7.253 1.263 7.220 1.00 1.04 H new ATOM 0 HG13 VAL A 11 -6.647 -0.354 6.789 1.00 1.04 H new ATOM 0 HG21 VAL A 11 -5.207 -0.915 9.440 1.00 1.39 H new ATOM 0 HG22 VAL A 11 -4.536 -1.213 7.819 1.00 1.39 H new ATOM 0 HG23 VAL A 11 -3.641 -0.206 8.982 1.00 1.39 H new ATOM 164 N LEU A 12 -5.829 2.682 5.362 1.00 0.40 N ATOM 165 CA LEU A 12 -6.440 3.947 4.872 1.00 0.45 C ATOM 166 C LEU A 12 -7.964 3.839 4.848 1.00 0.44 C ATOM 167 O LEU A 12 -8.528 2.763 4.876 1.00 0.58 O ATOM 168 CB LEU A 12 -5.896 4.130 3.452 1.00 0.63 C ATOM 169 CG LEU A 12 -4.547 4.857 3.489 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.692 6.185 4.225 1.00 0.82 C ATOM 171 CD2 LEU A 12 -3.517 3.997 4.217 1.00 1.16 C ATOM 0 H LEU A 12 -5.971 1.867 4.766 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.196 4.791 5.518 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -5.780 3.158 2.972 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.607 4.699 2.853 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.218 5.040 2.466 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.729 6.696 4.247 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -5.422 6.809 3.709 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -5.028 6.001 5.245 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -2.560 4.518 4.241 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -3.854 3.811 5.237 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -3.401 3.048 3.694 1.00 1.16 H new ATOM 183 N ARG A 13 -8.627 4.957 4.792 1.00 0.47 N ATOM 184 CA ARG A 13 -10.114 4.950 4.762 1.00 0.55 C ATOM 185 C ARG A 13 -10.614 6.170 3.976 1.00 0.54 C ATOM 186 O ARG A 13 -10.018 6.560 2.991 1.00 0.73 O ATOM 187 CB ARG A 13 -10.530 5.012 6.235 1.00 0.69 C ATOM 188 CG ARG A 13 -9.933 6.262 6.884 1.00 1.19 C ATOM 189 CD ARG A 13 -10.960 6.884 7.831 1.00 1.28 C ATOM 190 NE ARG A 13 -10.618 6.340 9.176 1.00 1.86 N ATOM 191 CZ ARG A 13 -11.126 5.204 9.570 1.00 2.30 C ATOM 192 NH1 ARG A 13 -12.366 5.147 9.970 1.00 2.68 N ATOM 193 NH2 ARG A 13 -10.394 4.124 9.561 1.00 2.84 N ATOM 0 H ARG A 13 -8.200 5.883 4.765 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.535 4.072 4.271 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -11.617 5.032 6.316 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.187 4.119 6.758 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -9.027 6.003 7.432 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -9.647 6.982 6.117 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.901 7.972 7.818 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -11.977 6.616 7.543 1.00 1.28 H new ATOM 0 HE ARG A 13 -9.987 6.856 9.789 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -12.940 5.990 9.975 1.00 2.68 H new ATOM 0 HH12 ARG A 13 -12.762 4.259 10.278 1.00 2.68 H new ATOM 0 HH21 ARG A 13 -9.425 4.167 9.246 1.00 2.84 H new ATOM 0 HH22 ARG A 13 -10.791 3.236 9.869 1.00 2.84 H new ATOM 207 N LYS A 14 -11.695 6.776 4.385 1.00 0.58 N ATOM 208 CA LYS A 14 -12.204 7.961 3.635 1.00 0.63 C ATOM 209 C LYS A 14 -11.607 9.256 4.197 1.00 0.65 C ATOM 210 O LYS A 14 -11.674 10.298 3.576 1.00 0.83 O ATOM 211 CB LYS A 14 -13.719 7.935 3.840 1.00 0.74 C ATOM 212 CG LYS A 14 -14.406 7.634 2.505 1.00 1.26 C ATOM 213 CD LYS A 14 -15.816 8.227 2.512 1.00 1.92 C ATOM 214 CE LYS A 14 -15.729 9.752 2.412 1.00 2.26 C ATOM 215 NZ LYS A 14 -16.374 10.254 3.658 1.00 2.80 N ATOM 0 H LYS A 14 -12.245 6.505 5.200 1.00 0.58 H new ATOM 0 HA LYS A 14 -11.931 7.926 2.580 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -13.985 7.178 4.578 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.061 8.894 4.230 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -13.827 8.055 1.683 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.454 6.557 2.343 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.393 7.830 1.677 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.338 7.941 3.425 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -14.694 10.085 2.341 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.244 10.120 1.524 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -16.163 11.266 3.775 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -17.403 10.120 3.594 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -16.006 9.727 4.476 1.00 2.80 H new ATOM 229 N SER A 15 -11.031 9.206 5.368 1.00 0.68 N ATOM 230 CA SER A 15 -10.443 10.445 5.960 1.00 0.88 C ATOM 231 C SER A 15 -8.935 10.284 6.203 1.00 0.81 C ATOM 232 O SER A 15 -8.313 11.119 6.829 1.00 1.05 O ATOM 233 CB SER A 15 -11.176 10.622 7.289 1.00 1.10 C ATOM 234 OG SER A 15 -11.047 11.968 7.726 1.00 1.68 O ATOM 0 H SER A 15 -10.942 8.366 5.939 1.00 0.68 H new ATOM 0 HA SER A 15 -10.557 11.303 5.298 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.229 10.366 7.173 1.00 1.10 H new ATOM 0 HB3 SER A 15 -10.764 9.945 8.037 1.00 1.10 H new ATOM 0 HG SER A 15 -10.120 12.263 7.608 1.00 1.68 H new ATOM 240 N ASN A 16 -8.341 9.226 5.723 1.00 0.65 N ATOM 241 CA ASN A 16 -6.875 9.037 5.945 1.00 0.68 C ATOM 242 C ASN A 16 -6.122 9.003 4.612 1.00 0.55 C ATOM 243 O ASN A 16 -4.991 9.436 4.515 1.00 0.56 O ATOM 244 CB ASN A 16 -6.750 7.691 6.656 1.00 0.87 C ATOM 245 CG ASN A 16 -7.462 7.759 8.007 1.00 0.91 C ATOM 246 OD1 ASN A 16 -8.094 8.746 8.327 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.387 6.742 8.819 1.00 0.98 N ATOM 0 H ASN A 16 -8.801 8.488 5.190 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.447 9.854 6.527 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.186 6.902 6.043 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -5.699 7.440 6.799 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.859 6.775 9.723 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.856 5.913 8.551 1.00 0.98 H new ATOM 254 N PHE A 17 -6.739 8.488 3.586 1.00 0.55 N ATOM 255 CA PHE A 17 -6.058 8.419 2.257 1.00 0.51 C ATOM 256 C PHE A 17 -5.457 9.776 1.886 1.00 0.46 C ATOM 257 O PHE A 17 -4.270 9.903 1.662 1.00 0.52 O ATOM 258 CB PHE A 17 -7.162 8.049 1.269 1.00 0.56 C ATOM 259 CG PHE A 17 -6.561 7.867 -0.103 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.246 8.984 -0.886 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.322 6.579 -0.592 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.691 8.811 -2.160 1.00 0.90 C ATOM 263 CE2 PHE A 17 -5.768 6.405 -1.864 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.443 7.540 -2.648 1.00 0.87 C ATOM 0 H PHE A 17 -7.686 8.111 3.607 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.239 7.699 2.258 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.658 7.132 1.586 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.922 8.830 1.245 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.431 9.979 -0.508 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -6.565 5.718 0.013 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.455 9.674 -2.765 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -5.589 5.411 -2.247 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.002 7.413 -3.626 1.00 0.87 H new ATOM 274 N ALA A 18 -6.273 10.787 1.816 1.00 0.52 N ATOM 275 CA ALA A 18 -5.761 12.142 1.454 1.00 0.66 C ATOM 276 C ALA A 18 -4.710 12.612 2.466 1.00 0.59 C ATOM 277 O ALA A 18 -3.975 13.547 2.216 1.00 0.75 O ATOM 278 CB ALA A 18 -6.987 13.053 1.494 1.00 0.84 C ATOM 0 H ALA A 18 -7.276 10.737 1.994 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.278 12.147 0.477 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.692 14.071 1.238 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.727 12.698 0.777 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.417 13.040 2.495 1.00 0.84 H new ATOM 284 N GLU A 19 -4.627 11.976 3.602 1.00 0.46 N ATOM 285 CA GLU A 19 -3.623 12.392 4.612 1.00 0.49 C ATOM 286 C GLU A 19 -2.350 11.571 4.442 1.00 0.48 C ATOM 287 O GLU A 19 -1.277 12.106 4.274 1.00 0.56 O ATOM 288 CB GLU A 19 -4.278 12.094 5.958 1.00 0.55 C ATOM 289 CG GLU A 19 -3.460 12.741 7.076 1.00 0.69 C ATOM 290 CD GLU A 19 -4.403 13.282 8.153 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.121 12.486 8.736 1.00 1.66 O ATOM 292 OE2 GLU A 19 -4.391 14.480 8.376 1.00 1.78 O ATOM 0 H GLU A 19 -5.213 11.186 3.872 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.343 13.441 4.519 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.298 12.477 5.971 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.340 11.017 6.114 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.777 12.011 7.510 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -2.850 13.549 6.673 1.00 0.69 H new ATOM 299 N ALA A 20 -2.464 10.272 4.482 1.00 0.45 N ATOM 300 CA ALA A 20 -1.262 9.402 4.320 1.00 0.53 C ATOM 301 C ALA A 20 -0.424 9.853 3.119 1.00 0.57 C ATOM 302 O ALA A 20 0.781 9.987 3.206 1.00 0.71 O ATOM 303 CB ALA A 20 -1.825 7.999 4.088 1.00 0.57 C ATOM 0 H ALA A 20 -3.342 9.772 4.621 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.604 9.444 5.188 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.004 7.294 3.959 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.426 7.702 4.947 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.447 8.000 3.193 1.00 0.57 H new ATOM 309 N LEU A 21 -1.052 10.086 2.002 1.00 0.55 N ATOM 310 CA LEU A 21 -0.286 10.528 0.798 1.00 0.69 C ATOM 311 C LEU A 21 0.502 11.797 1.114 1.00 0.75 C ATOM 312 O LEU A 21 1.707 11.848 0.960 1.00 0.92 O ATOM 313 CB LEU A 21 -1.342 10.799 -0.274 1.00 0.74 C ATOM 314 CG LEU A 21 -1.414 9.603 -1.227 1.00 0.84 C ATOM 315 CD1 LEU A 21 -2.514 8.647 -0.768 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.729 10.096 -2.640 1.00 1.44 C ATOM 0 H LEU A 21 -2.059 9.991 1.867 1.00 0.55 H new ATOM 0 HA LEU A 21 0.436 9.780 0.471 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.314 10.967 0.191 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.092 11.705 -0.827 1.00 0.74 H new ATOM 0 HG LEU A 21 -0.456 9.082 -1.226 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -2.564 7.796 -1.448 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -2.293 8.294 0.239 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -3.472 9.168 -0.768 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.780 9.245 -3.319 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -2.686 10.617 -2.638 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.945 10.777 -2.971 1.00 1.44 H new ATOM 328 N ALA A 22 -0.165 12.819 1.563 1.00 0.71 N ATOM 329 CA ALA A 22 0.550 14.083 1.901 1.00 0.85 C ATOM 330 C ALA A 22 1.404 13.874 3.156 1.00 0.89 C ATOM 331 O ALA A 22 2.351 14.593 3.403 1.00 1.08 O ATOM 332 CB ALA A 22 -0.555 15.106 2.165 1.00 1.00 C ATOM 0 H ALA A 22 -1.174 12.837 1.712 1.00 0.71 H new ATOM 0 HA ALA A 22 1.220 14.410 1.106 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.108 16.066 2.421 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.168 15.218 1.271 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.178 14.764 2.991 1.00 1.00 H new ATOM 338 N ALA A 23 1.074 12.889 3.946 1.00 0.86 N ATOM 339 CA ALA A 23 1.857 12.620 5.183 1.00 0.93 C ATOM 340 C ALA A 23 3.280 12.191 4.816 1.00 0.85 C ATOM 341 O ALA A 23 4.248 12.777 5.260 1.00 0.95 O ATOM 342 CB ALA A 23 1.103 11.482 5.878 1.00 1.05 C ATOM 0 H ALA A 23 0.291 12.256 3.786 1.00 0.86 H new ATOM 0 HA ALA A 23 1.949 13.496 5.825 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.614 11.219 6.804 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.086 11.804 6.104 1.00 1.05 H new ATOM 0 HB3 ALA A 23 1.071 10.612 5.221 1.00 1.05 H new ATOM 348 N HIS A 24 3.416 11.181 3.999 1.00 0.83 N ATOM 349 CA HIS A 24 4.779 10.726 3.596 1.00 0.84 C ATOM 350 C HIS A 24 4.929 10.826 2.075 1.00 0.82 C ATOM 351 O HIS A 24 3.982 10.641 1.337 1.00 1.30 O ATOM 352 CB HIS A 24 4.866 9.269 4.048 1.00 0.95 C ATOM 353 CG HIS A 24 5.184 9.212 5.517 1.00 1.22 C ATOM 354 ND1 HIS A 24 6.333 8.607 6.002 1.00 1.80 N ATOM 355 CD2 HIS A 24 4.511 9.676 6.620 1.00 1.84 C ATOM 356 CE1 HIS A 24 6.316 8.722 7.342 1.00 2.04 C ATOM 357 NE2 HIS A 24 5.227 9.365 7.772 1.00 2.00 N ATOM 0 H HIS A 24 2.644 10.652 3.594 1.00 0.83 H new ATOM 0 HA HIS A 24 5.568 11.333 4.040 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.923 8.760 3.850 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.635 8.747 3.479 1.00 0.95 H new ATOM 0 HD2 HIS A 24 3.568 10.203 6.597 1.00 1.84 H new ATOM 0 HE1 HIS A 24 7.090 8.340 7.992 1.00 2.04 H new ATOM 0 HE2 HIS A 24 4.975 9.581 8.736 1.00 2.00 H new ATOM 365 N LYS A 25 6.108 11.118 1.598 1.00 0.72 N ATOM 366 CA LYS A 25 6.306 11.230 0.122 1.00 0.69 C ATOM 367 C LYS A 25 5.791 9.968 -0.577 1.00 0.59 C ATOM 368 O LYS A 25 4.844 10.010 -1.337 1.00 0.68 O ATOM 369 CB LYS A 25 7.815 11.373 -0.070 1.00 0.81 C ATOM 370 CG LYS A 25 8.103 11.865 -1.489 1.00 1.20 C ATOM 371 CD LYS A 25 9.534 11.489 -1.879 1.00 1.51 C ATOM 372 CE LYS A 25 10.456 12.687 -1.650 1.00 2.06 C ATOM 373 NZ LYS A 25 10.315 13.519 -2.878 1.00 2.47 N ATOM 0 H LYS A 25 6.941 11.284 2.163 1.00 0.72 H new ATOM 0 HA LYS A 25 5.762 12.074 -0.304 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.220 12.075 0.659 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.307 10.415 0.101 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.395 11.422 -2.190 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.972 12.946 -1.544 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.872 10.638 -1.287 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.569 11.184 -2.925 1.00 1.51 H new ATOM 0 HE2 LYS A 25 10.166 13.245 -0.759 1.00 2.06 H new ATOM 0 HE3 LYS A 25 11.488 12.369 -1.505 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 10.627 14.490 -2.677 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 10.900 13.118 -3.638 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 9.319 13.530 -3.177 1.00 2.47 H new ATOM 387 N TYR A 26 6.405 8.844 -0.324 1.00 0.52 N ATOM 388 CA TYR A 26 5.946 7.581 -0.975 1.00 0.48 C ATOM 389 C TYR A 26 4.880 6.909 -0.109 1.00 0.46 C ATOM 390 O TYR A 26 5.127 6.545 1.023 1.00 0.53 O ATOM 391 CB TYR A 26 7.190 6.693 -1.068 1.00 0.56 C ATOM 392 CG TYR A 26 8.311 7.447 -1.738 1.00 0.65 C ATOM 393 CD1 TYR A 26 8.086 8.106 -2.952 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.575 7.490 -1.141 1.00 1.08 C ATOM 395 CE1 TYR A 26 9.127 8.809 -3.570 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.617 8.193 -1.758 1.00 1.31 C ATOM 397 CZ TYR A 26 10.393 8.853 -2.973 1.00 1.08 C ATOM 398 OH TYR A 26 11.419 9.545 -3.581 1.00 1.33 O ATOM 0 H TYR A 26 7.203 8.744 0.304 1.00 0.52 H new ATOM 0 HA TYR A 26 5.506 7.762 -1.956 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.497 6.378 -0.071 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.961 5.789 -1.632 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.109 8.072 -3.412 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.747 6.981 -0.204 1.00 1.08 H new ATOM 0 HE1 TYR A 26 8.954 9.317 -4.507 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.593 8.226 -1.297 1.00 1.31 H new ATOM 0 HH TYR A 26 12.229 9.476 -3.034 1.00 1.33 H new ATOM 408 N LEU A 27 3.698 6.741 -0.629 1.00 0.46 N ATOM 409 CA LEU A 27 2.623 6.091 0.171 1.00 0.45 C ATOM 410 C LEU A 27 2.002 4.939 -0.614 1.00 0.40 C ATOM 411 O LEU A 27 1.342 5.143 -1.615 1.00 0.50 O ATOM 412 CB LEU A 27 1.588 7.185 0.417 1.00 0.51 C ATOM 413 CG LEU A 27 1.071 7.086 1.853 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.460 5.704 2.089 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.231 7.301 2.826 1.00 0.66 C ATOM 0 H LEU A 27 3.429 7.025 -1.571 1.00 0.46 H new ATOM 0 HA LEU A 27 3.004 5.674 1.103 1.00 0.45 H new ATOM 0 HB2 LEU A 27 2.032 8.166 0.246 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.761 7.083 -0.286 1.00 0.51 H new ATOM 0 HG LEU A 27 0.310 7.849 2.015 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.093 5.638 3.113 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.367 5.549 1.397 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.218 4.938 1.925 1.00 1.93 H new ATOM 0 HD21 LEU A 27 1.865 7.231 3.850 1.00 0.66 H new ATOM 0 HD22 LEU A 27 2.992 6.538 2.660 1.00 0.66 H new ATOM 0 HD23 LEU A 27 2.665 8.288 2.663 1.00 0.66 H new ATOM 427 N LEU A 28 2.202 3.731 -0.171 1.00 0.33 N ATOM 428 CA LEU A 28 1.616 2.572 -0.896 1.00 0.32 C ATOM 429 C LEU A 28 0.288 2.169 -0.256 1.00 0.29 C ATOM 430 O LEU A 28 0.186 2.024 0.946 1.00 0.35 O ATOM 431 CB LEU A 28 2.642 1.452 -0.756 1.00 0.40 C ATOM 432 CG LEU A 28 2.138 0.214 -1.497 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.242 0.449 -3.004 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.989 -0.996 -1.106 1.00 1.12 C ATOM 0 H LEU A 28 2.745 3.496 0.660 1.00 0.33 H new ATOM 0 HA LEU A 28 1.409 2.801 -1.941 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.602 1.769 -1.164 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.804 1.220 0.297 1.00 0.40 H new ATOM 0 HG LEU A 28 1.098 0.025 -1.230 1.00 0.53 H new ATOM 0 HD11 LEU A 28 1.883 -0.433 -3.535 1.00 0.73 H new ATOM 0 HD12 LEU A 28 1.635 1.311 -3.280 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.282 0.636 -3.272 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.630 -1.879 -1.634 1.00 1.12 H new ATOM 0 HD22 LEU A 28 4.029 -0.811 -1.374 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.915 -1.161 -0.031 1.00 1.12 H new ATOM 446 N VAL A 29 -0.731 1.988 -1.048 1.00 0.32 N ATOM 447 CA VAL A 29 -2.051 1.596 -0.482 1.00 0.32 C ATOM 448 C VAL A 29 -2.481 0.235 -1.034 1.00 0.34 C ATOM 449 O VAL A 29 -2.224 -0.095 -2.174 1.00 0.47 O ATOM 450 CB VAL A 29 -3.020 2.689 -0.930 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.389 2.441 -0.294 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.493 4.056 -0.487 1.00 0.77 C ATOM 0 H VAL A 29 -0.707 2.094 -2.062 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.021 1.502 0.604 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.111 2.672 -2.016 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.084 3.219 -0.611 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.766 1.468 -0.609 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.295 2.460 0.792 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.186 4.834 -0.808 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.402 4.076 0.599 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.516 4.232 -0.937 1.00 0.77 H new ATOM 462 N GLU A 30 -3.137 -0.556 -0.231 1.00 0.32 N ATOM 463 CA GLU A 30 -3.585 -1.897 -0.702 1.00 0.39 C ATOM 464 C GLU A 30 -5.086 -2.068 -0.433 1.00 0.36 C ATOM 465 O GLU A 30 -5.536 -2.006 0.694 1.00 0.42 O ATOM 466 CB GLU A 30 -2.759 -2.894 0.122 1.00 0.52 C ATOM 467 CG GLU A 30 -3.306 -4.314 -0.059 1.00 0.64 C ATOM 468 CD GLU A 30 -2.513 -5.282 0.823 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.421 -5.653 0.427 1.00 1.48 O ATOM 470 OE2 GLU A 30 -3.012 -5.635 1.878 1.00 1.60 O ATOM 0 H GLU A 30 -3.383 -0.331 0.733 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.440 -2.041 -1.773 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.715 -2.857 -0.189 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -2.788 -2.617 1.176 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.363 -4.345 0.207 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.232 -4.613 -1.104 1.00 0.64 H new ATOM 477 N PHE A 31 -5.863 -2.284 -1.460 1.00 0.35 N ATOM 478 CA PHE A 31 -7.330 -2.458 -1.264 1.00 0.36 C ATOM 479 C PHE A 31 -7.683 -3.947 -1.222 1.00 0.39 C ATOM 480 O PHE A 31 -7.457 -4.675 -2.169 1.00 0.49 O ATOM 481 CB PHE A 31 -7.968 -1.793 -2.483 1.00 0.41 C ATOM 482 CG PHE A 31 -7.821 -0.293 -2.380 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.590 0.424 -1.456 1.00 0.53 C ATOM 484 CD2 PHE A 31 -6.917 0.380 -3.212 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.454 1.815 -1.363 1.00 0.59 C ATOM 486 CE2 PHE A 31 -6.782 1.771 -3.118 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.550 2.488 -2.194 1.00 0.53 C ATOM 0 H PHE A 31 -5.544 -2.347 -2.427 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.679 -2.021 -0.328 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.493 -2.153 -3.396 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.023 -2.061 -2.545 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.288 -0.095 -0.815 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.324 -0.173 -3.926 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -9.047 2.369 -0.650 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -6.085 2.290 -3.759 1.00 0.52 H new ATOM 0 HZ PHE A 31 -7.446 3.561 -2.122 1.00 0.53 H new ATOM 497 N TYR A 32 -8.240 -4.408 -0.135 1.00 0.37 N ATOM 498 CA TYR A 32 -8.609 -5.852 -0.044 1.00 0.44 C ATOM 499 C TYR A 32 -9.834 -6.032 0.866 1.00 0.40 C ATOM 500 O TYR A 32 -10.235 -5.126 1.568 1.00 0.45 O ATOM 501 CB TYR A 32 -7.360 -6.551 0.528 1.00 0.54 C ATOM 502 CG TYR A 32 -7.264 -6.351 2.027 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.830 -5.122 2.537 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.603 -7.391 2.899 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.736 -4.933 3.920 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.508 -7.201 4.283 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.101 -5.991 4.797 1.00 0.77 C ATOM 508 OH TYR A 32 -6.982 -5.785 6.157 1.00 0.94 O ATOM 0 H TYR A 32 -8.455 -3.851 0.692 1.00 0.37 H new ATOM 0 HA TYR A 32 -8.887 -6.276 -1.009 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.400 -7.616 0.302 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.465 -6.156 0.047 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.568 -4.320 1.863 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -7.938 -8.339 2.505 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.389 -3.991 4.318 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -7.756 -8.011 4.953 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.267 -6.591 6.636 1.00 0.94 H new ATOM 518 N ALA A 33 -10.424 -7.197 0.863 1.00 0.40 N ATOM 519 CA ALA A 33 -11.610 -7.430 1.733 1.00 0.44 C ATOM 520 C ALA A 33 -11.318 -8.565 2.722 1.00 0.53 C ATOM 521 O ALA A 33 -10.430 -9.362 2.497 1.00 0.56 O ATOM 522 CB ALA A 33 -12.735 -7.826 0.774 1.00 0.49 C ATOM 0 H ALA A 33 -10.136 -7.995 0.297 1.00 0.40 H new ATOM 0 HA ALA A 33 -11.872 -6.552 2.323 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.647 -8.015 1.341 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.910 -7.017 0.065 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.451 -8.728 0.232 1.00 0.49 H new ATOM 528 N PRO A 34 -12.079 -8.607 3.789 1.00 0.63 N ATOM 529 CA PRO A 34 -11.887 -9.667 4.809 1.00 0.78 C ATOM 530 C PRO A 34 -12.320 -11.030 4.257 1.00 0.82 C ATOM 531 O PRO A 34 -12.024 -12.061 4.828 1.00 0.96 O ATOM 532 CB PRO A 34 -12.790 -9.229 5.959 1.00 0.90 C ATOM 533 CG PRO A 34 -13.833 -8.368 5.319 1.00 0.81 C ATOM 534 CD PRO A 34 -13.178 -7.696 4.143 1.00 0.66 C ATOM 0 HA PRO A 34 -10.847 -9.783 5.114 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.238 -10.088 6.459 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.230 -8.677 6.714 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.685 -8.967 4.997 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.211 -7.629 6.025 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -13.875 -7.569 3.315 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -12.808 -6.704 4.403 1.00 0.66 H new ATOM 542 N TRP A 35 -13.015 -11.048 3.150 1.00 0.74 N ATOM 543 CA TRP A 35 -13.459 -12.348 2.572 1.00 0.83 C ATOM 544 C TRP A 35 -12.755 -12.615 1.232 1.00 0.78 C ATOM 545 O TRP A 35 -12.979 -13.629 0.601 1.00 0.92 O ATOM 546 CB TRP A 35 -14.969 -12.198 2.371 1.00 0.91 C ATOM 547 CG TRP A 35 -15.242 -11.102 1.390 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.431 -9.802 1.709 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.361 -11.190 -0.060 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.657 -9.084 0.547 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.623 -9.897 -0.569 1.00 1.19 C ATOM 552 CE3 TRP A 35 -15.267 -12.256 -0.973 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.786 -9.668 -1.937 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -15.429 -12.030 -2.349 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.689 -10.739 -2.829 1.00 2.26 C ATOM 0 H TRP A 35 -13.293 -10.220 2.623 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.216 -13.189 3.222 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.392 -13.135 2.010 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.452 -11.976 3.323 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.409 -9.391 2.707 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.828 -8.079 0.519 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -15.069 -13.255 -0.613 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.985 -8.671 -2.302 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -15.353 -12.855 -3.041 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.814 -10.572 -3.889 1.00 2.26 H new ATOM 566 N CYS A 36 -11.903 -11.722 0.790 1.00 0.65 N ATOM 567 CA CYS A 36 -11.195 -11.946 -0.506 1.00 0.67 C ATOM 568 C CYS A 36 -10.549 -13.341 -0.520 1.00 0.84 C ATOM 569 O CYS A 36 -10.414 -13.982 0.503 1.00 1.63 O ATOM 570 CB CYS A 36 -10.138 -10.844 -0.564 1.00 0.58 C ATOM 571 SG CYS A 36 -9.114 -11.054 -2.042 1.00 1.07 S ATOM 0 H CYS A 36 -11.669 -10.852 1.269 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.864 -11.908 -1.366 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.619 -9.866 -0.580 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.515 -10.878 0.329 1.00 0.58 H new ATOM 576 N GLY A 37 -10.178 -13.826 -1.675 1.00 0.96 N ATOM 577 CA GLY A 37 -9.576 -15.188 -1.757 1.00 1.08 C ATOM 578 C GLY A 37 -8.106 -15.188 -1.312 1.00 1.00 C ATOM 579 O GLY A 37 -7.791 -15.522 -0.187 1.00 1.83 O ATOM 0 H GLY A 37 -10.266 -13.337 -2.566 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -10.145 -15.876 -1.132 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.646 -15.556 -2.781 1.00 1.08 H new ATOM 583 N HIS A 38 -7.203 -14.861 -2.199 1.00 0.89 N ATOM 584 CA HIS A 38 -5.748 -14.892 -1.843 1.00 0.97 C ATOM 585 C HIS A 38 -5.243 -13.540 -1.332 1.00 0.88 C ATOM 586 O HIS A 38 -4.074 -13.229 -1.447 1.00 1.13 O ATOM 587 CB HIS A 38 -5.052 -15.234 -3.149 1.00 1.32 C ATOM 588 CG HIS A 38 -4.862 -16.723 -3.247 1.00 1.72 C ATOM 589 ND1 HIS A 38 -3.947 -17.406 -2.460 1.00 2.39 N ATOM 590 CD2 HIS A 38 -5.462 -17.673 -4.035 1.00 2.35 C ATOM 591 CE1 HIS A 38 -4.023 -18.708 -2.790 1.00 2.85 C ATOM 592 NE2 HIS A 38 -4.931 -18.926 -3.744 1.00 2.87 N ATOM 0 H HIS A 38 -7.408 -14.573 -3.156 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.556 -15.605 -1.041 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -5.644 -14.877 -3.992 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -4.087 -14.730 -3.201 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -6.230 -17.478 -4.769 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -3.422 -19.483 -2.338 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -5.182 -19.819 -4.168 1.00 2.87 H new ATOM 600 N CYS A 39 -6.092 -12.745 -0.762 1.00 0.79 N ATOM 601 CA CYS A 39 -5.630 -11.428 -0.238 1.00 0.88 C ATOM 602 C CYS A 39 -4.927 -11.627 1.103 1.00 0.82 C ATOM 603 O CYS A 39 -4.130 -10.815 1.527 1.00 1.00 O ATOM 604 CB CYS A 39 -6.897 -10.599 -0.051 1.00 1.08 C ATOM 605 SG CYS A 39 -7.459 -9.979 -1.654 1.00 1.00 S ATOM 0 H CYS A 39 -7.084 -12.943 -0.633 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.925 -10.940 -0.911 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.677 -11.207 0.409 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.702 -9.766 0.624 1.00 1.08 H new ATOM 610 N LYS A 40 -5.223 -12.704 1.779 1.00 0.78 N ATOM 611 CA LYS A 40 -4.577 -12.955 3.095 1.00 0.94 C ATOM 612 C LYS A 40 -3.249 -13.697 2.910 1.00 0.84 C ATOM 613 O LYS A 40 -2.407 -13.707 3.786 1.00 0.94 O ATOM 614 CB LYS A 40 -5.579 -13.809 3.881 1.00 1.21 C ATOM 615 CG LYS A 40 -5.744 -15.182 3.217 1.00 1.56 C ATOM 616 CD LYS A 40 -4.644 -16.122 3.707 1.00 2.11 C ATOM 617 CE LYS A 40 -5.219 -17.527 3.897 1.00 2.72 C ATOM 618 NZ LYS A 40 -5.078 -17.805 5.353 1.00 3.29 N ATOM 0 H LYS A 40 -5.884 -13.419 1.476 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.342 -12.028 3.619 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -5.235 -13.933 4.908 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -6.543 -13.301 3.927 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -6.724 -15.597 3.454 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -5.695 -15.081 2.133 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -3.825 -16.147 2.988 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -4.231 -15.757 4.647 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.263 -17.572 3.585 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -4.676 -18.260 3.300 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -5.451 -18.753 5.563 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -4.074 -17.762 5.619 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -5.611 -17.095 5.895 1.00 3.29 H new ATOM 632 N ALA A 41 -3.053 -14.318 1.778 1.00 0.77 N ATOM 633 CA ALA A 41 -1.778 -15.057 1.545 1.00 0.86 C ATOM 634 C ALA A 41 -0.601 -14.078 1.496 1.00 0.75 C ATOM 635 O ALA A 41 0.533 -14.444 1.733 1.00 0.90 O ATOM 636 CB ALA A 41 -1.959 -15.746 0.192 1.00 0.93 C ATOM 0 H ALA A 41 -3.719 -14.346 1.006 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.564 -15.772 2.340 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -1.060 -16.312 -0.051 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.812 -16.423 0.240 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -2.134 -14.995 -0.578 1.00 0.93 H new ATOM 642 N LEU A 42 -0.862 -12.836 1.194 1.00 0.65 N ATOM 643 CA LEU A 42 0.242 -11.835 1.133 1.00 0.67 C ATOM 644 C LEU A 42 0.311 -11.021 2.433 1.00 0.63 C ATOM 645 O LEU A 42 1.217 -10.236 2.633 1.00 0.70 O ATOM 646 CB LEU A 42 -0.113 -10.930 -0.047 1.00 0.82 C ATOM 647 CG LEU A 42 1.113 -10.760 -0.945 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.126 -11.864 -2.003 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.057 -9.394 -1.632 1.00 1.37 C ATOM 0 H LEU A 42 -1.791 -12.470 0.987 1.00 0.65 H new ATOM 0 HA LEU A 42 1.216 -12.309 1.011 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.937 -11.362 -0.616 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.450 -9.958 0.314 1.00 0.82 H new ATOM 0 HG LEU A 42 2.018 -10.825 -0.341 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.000 -11.744 -2.644 1.00 1.24 H new ATOM 0 HD12 LEU A 42 1.166 -12.837 -1.513 1.00 1.24 H new ATOM 0 HD13 LEU A 42 0.221 -11.799 -2.607 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.931 -9.273 -2.272 1.00 1.37 H new ATOM 0 HD22 LEU A 42 0.152 -9.328 -2.236 1.00 1.37 H new ATOM 0 HD23 LEU A 42 1.048 -8.607 -0.878 1.00 1.37 H new ATOM 661 N ALA A 43 -0.635 -11.197 3.318 1.00 0.71 N ATOM 662 CA ALA A 43 -0.616 -10.431 4.598 1.00 0.73 C ATOM 663 C ALA A 43 0.764 -10.515 5.270 1.00 0.67 C ATOM 664 O ALA A 43 1.323 -9.503 5.643 1.00 0.65 O ATOM 665 CB ALA A 43 -1.677 -11.097 5.475 1.00 0.88 C ATOM 0 H ALA A 43 -1.420 -11.839 3.209 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.818 -9.372 4.437 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.724 -10.589 6.438 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.648 -11.034 4.983 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.416 -12.144 5.630 1.00 0.88 H new ATOM 671 N PRO A 44 1.270 -11.717 5.417 1.00 0.69 N ATOM 672 CA PRO A 44 2.592 -11.897 6.066 1.00 0.70 C ATOM 673 C PRO A 44 3.732 -11.491 5.125 1.00 0.59 C ATOM 674 O PRO A 44 4.872 -11.387 5.534 1.00 0.65 O ATOM 675 CB PRO A 44 2.642 -13.388 6.381 1.00 0.83 C ATOM 676 CG PRO A 44 1.709 -14.029 5.401 1.00 0.84 C ATOM 677 CD PRO A 44 0.676 -13.001 5.014 1.00 0.76 C ATOM 0 HA PRO A 44 2.712 -11.275 6.953 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.654 -13.779 6.275 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.331 -13.584 7.407 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.254 -14.373 4.522 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.232 -14.904 5.843 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.472 -13.026 3.944 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.271 -13.178 5.523 1.00 0.76 H new ATOM 685 N GLU A 45 3.439 -11.237 3.880 1.00 0.53 N ATOM 686 CA GLU A 45 4.513 -10.813 2.941 1.00 0.46 C ATOM 687 C GLU A 45 4.471 -9.293 2.825 1.00 0.41 C ATOM 688 O GLU A 45 5.481 -8.621 2.851 1.00 0.47 O ATOM 689 CB GLU A 45 4.170 -11.476 1.606 1.00 0.48 C ATOM 690 CG GLU A 45 4.072 -12.991 1.801 1.00 0.61 C ATOM 691 CD GLU A 45 3.653 -13.658 0.488 1.00 1.12 C ATOM 692 OE1 GLU A 45 3.288 -12.944 -0.432 1.00 1.90 O ATOM 693 OE2 GLU A 45 3.703 -14.875 0.426 1.00 1.83 O ATOM 0 H GLU A 45 2.506 -11.304 3.474 1.00 0.53 H new ATOM 0 HA GLU A 45 5.513 -11.099 3.268 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.226 -11.085 1.225 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.934 -11.242 0.864 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.033 -13.387 2.130 1.00 0.61 H new ATOM 0 HG3 GLU A 45 3.348 -13.220 2.583 1.00 0.61 H new ATOM 700 N TYR A 46 3.290 -8.754 2.728 1.00 0.43 N ATOM 701 CA TYR A 46 3.140 -7.281 2.644 1.00 0.48 C ATOM 702 C TYR A 46 3.350 -6.677 4.046 1.00 0.52 C ATOM 703 O TYR A 46 3.613 -5.500 4.190 1.00 0.69 O ATOM 704 CB TYR A 46 1.704 -7.089 2.111 1.00 0.64 C ATOM 705 CG TYR A 46 1.074 -5.809 2.621 1.00 0.72 C ATOM 706 CD1 TYR A 46 1.385 -4.594 2.000 1.00 1.02 C ATOM 707 CD2 TYR A 46 0.195 -5.835 3.710 1.00 1.03 C ATOM 708 CE1 TYR A 46 0.817 -3.405 2.467 1.00 1.38 C ATOM 709 CE2 TYR A 46 -0.373 -4.645 4.178 1.00 1.39 C ATOM 710 CZ TYR A 46 -0.114 -3.460 3.568 1.00 1.50 C ATOM 711 OH TYR A 46 -0.623 -2.256 4.016 1.00 1.95 O ATOM 0 H TYR A 46 2.415 -9.278 2.703 1.00 0.43 H new ATOM 0 HA TYR A 46 3.862 -6.784 1.996 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.721 -7.075 1.021 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.090 -7.939 2.410 1.00 0.64 H new ATOM 0 HD1 TYR A 46 2.064 -4.575 1.160 1.00 1.02 H new ATOM 0 HD2 TYR A 46 -0.045 -6.773 4.189 1.00 1.03 H new ATOM 0 HE1 TYR A 46 1.071 -2.460 2.011 1.00 1.38 H new ATOM 0 HE2 TYR A 46 -1.027 -4.669 5.037 1.00 1.39 H new ATOM 0 HH TYR A 46 0.083 -1.577 4.002 1.00 1.95 H new ATOM 721 N ALA A 47 3.242 -7.478 5.079 1.00 0.53 N ATOM 722 CA ALA A 47 3.443 -6.946 6.456 1.00 0.62 C ATOM 723 C ALA A 47 4.922 -7.023 6.842 1.00 0.58 C ATOM 724 O ALA A 47 5.423 -6.206 7.588 1.00 0.68 O ATOM 725 CB ALA A 47 2.605 -7.851 7.360 1.00 0.73 C ATOM 0 H ALA A 47 3.024 -8.473 5.025 1.00 0.53 H new ATOM 0 HA ALA A 47 3.146 -5.901 6.541 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.702 -7.522 8.395 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.559 -7.798 7.059 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.956 -8.879 7.272 1.00 0.73 H new ATOM 731 N LYS A 48 5.626 -7.998 6.334 1.00 0.51 N ATOM 732 CA LYS A 48 7.074 -8.124 6.670 1.00 0.55 C ATOM 733 C LYS A 48 7.892 -7.125 5.848 1.00 0.53 C ATOM 734 O LYS A 48 8.984 -6.745 6.224 1.00 0.65 O ATOM 735 CB LYS A 48 7.446 -9.558 6.295 1.00 0.60 C ATOM 736 CG LYS A 48 8.378 -10.138 7.361 1.00 1.03 C ATOM 737 CD LYS A 48 7.557 -10.929 8.382 1.00 1.41 C ATOM 738 CE LYS A 48 7.596 -10.212 9.733 1.00 1.92 C ATOM 739 NZ LYS A 48 6.812 -11.084 10.652 1.00 2.47 N ATOM 0 H LYS A 48 5.263 -8.712 5.702 1.00 0.51 H new ATOM 0 HA LYS A 48 7.275 -7.914 7.721 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.547 -10.168 6.212 1.00 0.60 H new ATOM 0 HB3 LYS A 48 7.935 -9.575 5.321 1.00 0.60 H new ATOM 0 HG2 LYS A 48 9.121 -10.786 6.896 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.922 -9.335 7.859 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.527 -11.026 8.039 1.00 1.41 H new ATOM 0 HD3 LYS A 48 7.956 -11.938 8.482 1.00 1.41 H new ATOM 0 HE2 LYS A 48 8.620 -10.087 10.085 1.00 1.92 H new ATOM 0 HE3 LYS A 48 7.159 -9.216 9.665 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 6.792 -10.659 11.601 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 5.840 -11.179 10.295 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.256 -12.023 10.702 1.00 2.47 H new ATOM 753 N ALA A 49 7.373 -6.695 4.729 1.00 0.47 N ATOM 754 CA ALA A 49 8.121 -5.720 3.884 1.00 0.50 C ATOM 755 C ALA A 49 8.537 -4.510 4.721 1.00 0.53 C ATOM 756 O ALA A 49 9.681 -4.105 4.720 1.00 0.65 O ATOM 757 CB ALA A 49 7.138 -5.308 2.789 1.00 0.55 C ATOM 0 H ALA A 49 6.463 -6.977 4.364 1.00 0.47 H new ATOM 0 HA ALA A 49 9.034 -6.146 3.468 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.615 -4.589 2.123 1.00 0.55 H new ATOM 0 HB2 ALA A 49 6.839 -6.187 2.219 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.257 -4.853 3.243 1.00 0.55 H new ATOM 763 N ALA A 50 7.616 -3.937 5.439 1.00 0.54 N ATOM 764 CA ALA A 50 7.957 -2.758 6.285 1.00 0.65 C ATOM 765 C ALA A 50 8.945 -3.174 7.376 1.00 0.65 C ATOM 766 O ALA A 50 9.672 -2.362 7.913 1.00 0.77 O ATOM 767 CB ALA A 50 6.632 -2.310 6.900 1.00 0.76 C ATOM 0 H ALA A 50 6.640 -4.232 5.478 1.00 0.54 H new ATOM 0 HA ALA A 50 8.426 -1.956 5.714 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.802 -1.443 7.538 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.934 -2.045 6.106 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.214 -3.122 7.495 1.00 0.76 H new ATOM 773 N GLY A 51 8.980 -4.438 7.706 1.00 0.59 N ATOM 774 CA GLY A 51 9.925 -4.906 8.756 1.00 0.69 C ATOM 775 C GLY A 51 11.348 -4.854 8.204 1.00 0.78 C ATOM 776 O GLY A 51 12.295 -4.602 8.921 1.00 0.90 O ATOM 0 H GLY A 51 8.395 -5.164 7.293 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.842 -4.279 9.643 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.676 -5.923 9.060 1.00 0.69 H new ATOM 780 N LYS A 52 11.506 -5.077 6.927 1.00 0.80 N ATOM 781 CA LYS A 52 12.872 -5.021 6.331 1.00 1.01 C ATOM 782 C LYS A 52 13.498 -3.654 6.623 1.00 1.12 C ATOM 783 O LYS A 52 14.702 -3.495 6.610 1.00 1.31 O ATOM 784 CB LYS A 52 12.665 -5.216 4.828 1.00 1.15 C ATOM 785 CG LYS A 52 12.515 -6.709 4.525 1.00 1.49 C ATOM 786 CD LYS A 52 13.429 -7.090 3.357 1.00 1.97 C ATOM 787 CE LYS A 52 12.916 -8.377 2.705 1.00 2.64 C ATOM 788 NZ LYS A 52 14.127 -9.227 2.526 1.00 3.08 N ATOM 0 H LYS A 52 10.753 -5.294 6.274 1.00 0.80 H new ATOM 0 HA LYS A 52 13.541 -5.778 6.739 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.777 -4.676 4.499 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.511 -4.805 4.277 1.00 1.15 H new ATOM 0 HG2 LYS A 52 12.770 -7.297 5.407 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.478 -6.938 4.279 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.455 -6.284 2.624 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.450 -7.231 3.712 1.00 1.97 H new ATOM 0 HE2 LYS A 52 12.176 -8.871 3.335 1.00 2.64 H new ATOM 0 HE3 LYS A 52 12.434 -8.170 1.750 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 14.002 -9.838 1.694 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 14.960 -8.620 2.388 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 14.265 -9.817 3.371 1.00 3.08 H new ATOM 802 N LEU A 53 12.684 -2.671 6.908 1.00 1.12 N ATOM 803 CA LEU A 53 13.228 -1.317 7.225 1.00 1.33 C ATOM 804 C LEU A 53 13.761 -1.331 8.647 1.00 1.30 C ATOM 805 O LEU A 53 14.807 -0.790 8.943 1.00 1.50 O ATOM 806 CB LEU A 53 12.046 -0.335 7.131 1.00 1.55 C ATOM 807 CG LEU A 53 11.177 -0.624 5.902 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.132 0.484 5.749 1.00 2.07 C ATOM 809 CD2 LEU A 53 12.050 -0.674 4.645 1.00 1.82 C ATOM 0 H LEU A 53 11.667 -2.747 6.935 1.00 1.12 H new ATOM 0 HA LEU A 53 14.030 -1.031 6.544 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.439 -0.407 8.033 1.00 1.55 H new ATOM 0 HB3 LEU A 53 12.423 0.687 7.080 1.00 1.55 H new ATOM 0 HG LEU A 53 10.680 -1.586 6.032 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.512 0.281 4.876 1.00 2.07 H new ATOM 0 HD12 LEU A 53 9.504 0.518 6.640 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.634 1.443 5.623 1.00 2.07 H new ATOM 0 HD21 LEU A 53 11.425 -0.880 3.776 1.00 1.82 H new ATOM 0 HD22 LEU A 53 12.552 0.284 4.512 1.00 1.82 H new ATOM 0 HD23 LEU A 53 12.795 -1.462 4.751 1.00 1.82 H new ATOM 821 N LYS A 54 13.033 -1.944 9.534 1.00 1.20 N ATOM 822 CA LYS A 54 13.473 -1.996 10.957 1.00 1.35 C ATOM 823 C LYS A 54 13.767 -0.577 11.443 1.00 1.40 C ATOM 824 O LYS A 54 14.733 -0.328 12.136 1.00 1.67 O ATOM 825 CB LYS A 54 14.745 -2.845 10.945 1.00 1.46 C ATOM 826 CG LYS A 54 15.195 -3.121 12.382 1.00 1.91 C ATOM 827 CD LYS A 54 16.263 -4.216 12.382 1.00 2.50 C ATOM 828 CE LYS A 54 15.912 -5.278 13.427 1.00 2.87 C ATOM 829 NZ LYS A 54 17.011 -6.279 13.341 1.00 3.88 N ATOM 0 H LYS A 54 12.149 -2.413 9.336 1.00 1.20 H new ATOM 0 HA LYS A 54 12.720 -2.418 11.623 1.00 1.35 H new ATOM 0 HB2 LYS A 54 14.561 -3.785 10.424 1.00 1.46 H new ATOM 0 HB3 LYS A 54 15.534 -2.327 10.400 1.00 1.46 H new ATOM 0 HG2 LYS A 54 15.593 -2.211 12.831 1.00 1.91 H new ATOM 0 HG3 LYS A 54 14.343 -3.429 12.988 1.00 1.91 H new ATOM 0 HD2 LYS A 54 16.330 -4.672 11.394 1.00 2.50 H new ATOM 0 HD3 LYS A 54 17.240 -3.785 12.601 1.00 2.50 H new ATOM 0 HE2 LYS A 54 15.850 -4.845 14.425 1.00 2.87 H new ATOM 0 HE3 LYS A 54 14.945 -5.734 13.217 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 16.842 -7.041 14.029 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 17.042 -6.679 12.382 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 17.919 -5.817 13.552 1.00 3.88 H new ATOM 843 N ALA A 55 12.938 0.361 11.063 1.00 1.63 N ATOM 844 CA ALA A 55 13.156 1.780 11.476 1.00 2.20 C ATOM 845 C ALA A 55 14.510 2.272 10.961 1.00 2.03 C ATOM 846 O ALA A 55 15.107 3.169 11.521 1.00 2.38 O ATOM 847 CB ALA A 55 13.135 1.769 13.006 1.00 2.78 C ATOM 0 H ALA A 55 12.115 0.204 10.481 1.00 1.63 H new ATOM 0 HA ALA A 55 12.395 2.447 11.070 1.00 2.20 H new ATOM 0 HB1 ALA A 55 13.290 2.781 13.379 1.00 2.78 H new ATOM 0 HB2 ALA A 55 12.171 1.397 13.354 1.00 2.78 H new ATOM 0 HB3 ALA A 55 13.929 1.121 13.376 1.00 2.78 H new ATOM 853 N GLU A 56 15.000 1.693 9.897 1.00 1.67 N ATOM 854 CA GLU A 56 16.316 2.137 9.353 1.00 1.70 C ATOM 855 C GLU A 56 16.265 3.624 8.991 1.00 1.53 C ATOM 856 O GLU A 56 17.280 4.285 8.898 1.00 1.98 O ATOM 857 CB GLU A 56 16.545 1.290 8.100 1.00 1.99 C ATOM 858 CG GLU A 56 15.362 1.461 7.144 1.00 2.69 C ATOM 859 CD GLU A 56 15.874 1.520 5.704 1.00 3.21 C ATOM 860 OE1 GLU A 56 16.534 2.492 5.371 1.00 3.64 O ATOM 861 OE2 GLU A 56 15.597 0.596 4.958 1.00 3.63 O ATOM 0 H GLU A 56 14.549 0.936 9.384 1.00 1.67 H new ATOM 0 HA GLU A 56 17.120 2.011 10.078 1.00 1.70 H new ATOM 0 HB2 GLU A 56 17.470 1.592 7.608 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.657 0.241 8.373 1.00 1.99 H new ATOM 0 HG2 GLU A 56 14.665 0.631 7.259 1.00 2.69 H new ATOM 0 HG3 GLU A 56 14.815 2.373 7.384 1.00 2.69 H new ATOM 868 N GLY A 57 15.091 4.155 8.786 1.00 1.58 N ATOM 869 CA GLY A 57 14.980 5.598 8.431 1.00 2.25 C ATOM 870 C GLY A 57 14.410 5.738 7.017 1.00 1.97 C ATOM 871 O GLY A 57 14.580 6.751 6.369 1.00 2.50 O ATOM 0 H GLY A 57 14.205 3.653 8.849 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.336 6.110 9.146 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.959 6.073 8.488 1.00 2.25 H new ATOM 875 N SER A 58 13.734 4.732 6.533 1.00 1.30 N ATOM 876 CA SER A 58 13.156 4.818 5.161 1.00 1.23 C ATOM 877 C SER A 58 12.004 5.827 5.143 1.00 1.03 C ATOM 878 O SER A 58 11.211 5.893 6.060 1.00 1.27 O ATOM 879 CB SER A 58 12.645 3.410 4.855 1.00 1.53 C ATOM 880 OG SER A 58 13.408 2.853 3.793 1.00 2.13 O ATOM 0 H SER A 58 13.557 3.857 7.026 1.00 1.30 H new ATOM 0 HA SER A 58 13.885 5.152 4.422 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.723 2.782 5.742 1.00 1.53 H new ATOM 0 HB3 SER A 58 11.591 3.445 4.581 1.00 1.53 H new ATOM 0 HG SER A 58 12.909 2.115 3.384 1.00 2.13 H new ATOM 886 N GLU A 59 11.911 6.616 4.108 1.00 0.85 N ATOM 887 CA GLU A 59 10.814 7.623 4.039 1.00 0.87 C ATOM 888 C GLU A 59 9.603 7.051 3.296 1.00 0.76 C ATOM 889 O GLU A 59 8.781 7.782 2.781 1.00 1.06 O ATOM 890 CB GLU A 59 11.407 8.805 3.270 1.00 1.10 C ATOM 891 CG GLU A 59 11.818 8.351 1.869 1.00 1.05 C ATOM 892 CD GLU A 59 10.633 7.663 1.187 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.028 6.811 1.815 1.00 2.22 O ATOM 894 OE2 GLU A 59 10.352 8.002 0.049 1.00 2.13 O ATOM 0 H GLU A 59 12.545 6.607 3.309 1.00 0.85 H new ATOM 0 HA GLU A 59 10.464 7.914 5.029 1.00 0.87 H new ATOM 0 HB2 GLU A 59 10.676 9.611 3.202 1.00 1.10 H new ATOM 0 HB3 GLU A 59 12.271 9.202 3.803 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.144 9.207 1.279 1.00 1.05 H new ATOM 0 HG3 GLU A 59 12.664 7.666 1.931 1.00 1.05 H new ATOM 901 N ILE A 60 9.482 5.753 3.239 1.00 0.59 N ATOM 902 CA ILE A 60 8.315 5.146 2.529 1.00 0.57 C ATOM 903 C ILE A 60 7.305 4.619 3.552 1.00 0.52 C ATOM 904 O ILE A 60 7.609 4.479 4.719 1.00 0.63 O ATOM 905 CB ILE A 60 8.886 3.990 1.704 1.00 0.68 C ATOM 906 CG1 ILE A 60 10.096 4.472 0.894 1.00 1.46 C ATOM 907 CG2 ILE A 60 7.813 3.471 0.745 1.00 1.34 C ATOM 908 CD1 ILE A 60 11.336 3.683 1.317 1.00 1.60 C ATOM 0 H ILE A 60 10.136 5.087 3.650 1.00 0.59 H new ATOM 0 HA ILE A 60 7.799 5.870 1.898 1.00 0.57 H new ATOM 0 HB ILE A 60 9.198 3.192 2.377 1.00 0.68 H new ATOM 0 HG12 ILE A 60 9.911 4.337 -0.172 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.256 5.538 1.057 1.00 1.46 H new ATOM 0 HG21 ILE A 60 8.218 2.648 0.157 1.00 1.34 H new ATOM 0 HG22 ILE A 60 6.953 3.120 1.316 1.00 1.34 H new ATOM 0 HG23 ILE A 60 7.502 4.275 0.078 1.00 1.34 H new ATOM 0 HD11 ILE A 60 12.197 4.024 0.743 1.00 1.60 H new ATOM 0 HD12 ILE A 60 11.523 3.841 2.379 1.00 1.60 H new ATOM 0 HD13 ILE A 60 11.173 2.621 1.131 1.00 1.60 H new ATOM 920 N ARG A 61 6.106 4.328 3.127 1.00 0.45 N ATOM 921 CA ARG A 61 5.090 3.814 4.089 1.00 0.45 C ATOM 922 C ARG A 61 4.073 2.905 3.391 1.00 0.41 C ATOM 923 O ARG A 61 3.441 3.287 2.426 1.00 0.55 O ATOM 924 CB ARG A 61 4.398 5.063 4.634 1.00 0.51 C ATOM 925 CG ARG A 61 4.987 5.411 6.000 1.00 0.75 C ATOM 926 CD ARG A 61 3.900 6.036 6.878 1.00 0.97 C ATOM 927 NE ARG A 61 4.286 5.686 8.273 1.00 1.30 N ATOM 928 CZ ARG A 61 3.932 6.460 9.262 1.00 1.66 C ATOM 929 NH1 ARG A 61 2.786 7.086 9.226 1.00 2.21 N ATOM 930 NH2 ARG A 61 4.724 6.610 10.287 1.00 2.19 N ATOM 0 H ARG A 61 5.787 4.423 2.163 1.00 0.45 H new ATOM 0 HA ARG A 61 5.549 3.214 4.875 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.531 5.897 3.945 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.325 4.890 4.721 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.384 4.514 6.476 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.819 6.105 5.883 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.853 7.116 6.740 1.00 0.97 H new ATOM 0 HD3 ARG A 61 2.915 5.640 6.629 1.00 0.97 H new ATOM 0 HE ARG A 61 4.827 4.841 8.455 1.00 1.30 H new ATOM 0 HH11 ARG A 61 2.167 6.970 8.424 1.00 2.21 H new ATOM 0 HH12 ARG A 61 2.511 7.691 10.000 1.00 2.21 H new ATOM 0 HH21 ARG A 61 5.620 6.122 10.315 1.00 2.19 H new ATOM 0 HH22 ARG A 61 4.448 7.215 11.061 1.00 2.19 H new ATOM 944 N LEU A 62 3.901 1.709 3.890 1.00 0.35 N ATOM 945 CA LEU A 62 2.911 0.776 3.277 1.00 0.36 C ATOM 946 C LEU A 62 1.542 1.010 3.917 1.00 0.32 C ATOM 947 O LEU A 62 1.447 1.523 5.016 1.00 0.38 O ATOM 948 CB LEU A 62 3.428 -0.627 3.604 1.00 0.48 C ATOM 949 CG LEU A 62 4.499 -1.029 2.588 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.669 -0.047 2.665 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.996 -2.441 2.904 1.00 1.22 C ATOM 0 H LEU A 62 4.404 1.338 4.696 1.00 0.35 H new ATOM 0 HA LEU A 62 2.802 0.919 2.202 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.843 -0.647 4.612 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.606 -1.342 3.583 1.00 0.48 H new ATOM 0 HG LEU A 62 4.074 -1.009 1.584 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.432 -0.333 1.941 1.00 1.59 H new ATOM 0 HD12 LEU A 62 5.315 0.959 2.440 1.00 1.59 H new ATOM 0 HD13 LEU A 62 6.095 -0.066 3.668 1.00 1.59 H new ATOM 0 HD21 LEU A 62 5.759 -2.728 2.181 1.00 1.22 H new ATOM 0 HD22 LEU A 62 5.421 -2.461 3.907 1.00 1.22 H new ATOM 0 HD23 LEU A 62 4.162 -3.141 2.849 1.00 1.22 H new ATOM 963 N ALA A 63 0.477 0.653 3.251 1.00 0.30 N ATOM 964 CA ALA A 63 -0.869 0.884 3.852 1.00 0.32 C ATOM 965 C ALA A 63 -1.911 -0.057 3.247 1.00 0.31 C ATOM 966 O ALA A 63 -1.665 -0.725 2.262 1.00 0.37 O ATOM 967 CB ALA A 63 -1.197 2.334 3.515 1.00 0.37 C ATOM 0 H ALA A 63 0.479 0.217 2.329 1.00 0.30 H new ATOM 0 HA ALA A 63 -0.875 0.694 4.925 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.176 2.590 3.921 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.441 2.988 3.950 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.209 2.462 2.433 1.00 0.37 H new ATOM 973 N LYS A 64 -3.078 -0.114 3.831 1.00 0.30 N ATOM 974 CA LYS A 64 -4.132 -1.023 3.280 1.00 0.32 C ATOM 975 C LYS A 64 -5.527 -0.465 3.524 1.00 0.32 C ATOM 976 O LYS A 64 -5.737 0.386 4.361 1.00 0.40 O ATOM 977 CB LYS A 64 -3.974 -2.370 3.996 1.00 0.38 C ATOM 978 CG LYS A 64 -3.693 -2.164 5.491 1.00 1.39 C ATOM 979 CD LYS A 64 -4.307 -3.313 6.292 1.00 1.60 C ATOM 980 CE LYS A 64 -3.307 -3.795 7.344 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.547 -5.261 7.457 1.00 2.26 N ATOM 0 H LYS A 64 -3.348 0.421 4.656 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.014 -1.127 2.201 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -4.880 -2.962 3.870 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -3.159 -2.934 3.543 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -2.618 -2.119 5.666 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -4.110 -1.213 5.822 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -5.227 -2.983 6.774 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.573 -4.133 5.625 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -2.282 -3.585 7.040 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -3.466 -3.294 8.299 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.259 -5.588 8.401 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -4.558 -5.459 7.315 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -2.991 -5.761 6.734 1.00 2.26 H new ATOM 995 N VAL A 65 -6.483 -0.955 2.792 1.00 0.30 N ATOM 996 CA VAL A 65 -7.884 -0.473 2.963 1.00 0.32 C ATOM 997 C VAL A 65 -8.856 -1.653 2.972 1.00 0.31 C ATOM 998 O VAL A 65 -8.583 -2.701 2.423 1.00 0.36 O ATOM 999 CB VAL A 65 -8.156 0.420 1.751 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.614 0.895 1.780 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.221 1.630 1.789 1.00 0.70 C ATOM 0 H VAL A 65 -6.357 -1.672 2.078 1.00 0.30 H new ATOM 0 HA VAL A 65 -8.015 0.061 3.904 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.979 -0.146 0.836 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.807 1.531 0.916 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.279 0.032 1.750 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.794 1.460 2.694 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.414 2.267 0.926 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.396 2.196 2.704 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.185 1.291 1.765 1.00 0.70 H new ATOM 1011 N ASP A 66 -9.996 -1.482 3.581 1.00 0.35 N ATOM 1012 CA ASP A 66 -10.994 -2.586 3.616 1.00 0.39 C ATOM 1013 C ASP A 66 -12.103 -2.312 2.597 1.00 0.40 C ATOM 1014 O ASP A 66 -13.043 -1.593 2.869 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.554 -2.574 5.037 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.868 -3.663 5.864 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.552 -4.697 5.298 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -10.671 -3.445 7.047 1.00 1.30 O ATOM 0 H ASP A 66 -10.279 -0.625 4.056 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.556 -3.552 3.365 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.392 -1.598 5.495 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.631 -2.742 5.017 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.996 -2.875 1.424 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.041 -2.646 0.381 1.00 0.46 C ATOM 1025 C ALA A 67 -14.442 -2.852 0.968 1.00 0.51 C ATOM 1026 O ALA A 67 -15.409 -2.278 0.509 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.755 -3.690 -0.698 1.00 0.51 C ATOM 0 H ALA A 67 -11.229 -3.485 1.141 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.012 -1.630 -0.012 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.482 -3.589 -1.504 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.751 -3.539 -1.094 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.828 -4.688 -0.267 1.00 0.51 H new ATOM 1033 N THR A 68 -14.552 -3.662 1.984 1.00 0.53 N ATOM 1034 CA THR A 68 -15.886 -3.903 2.606 1.00 0.62 C ATOM 1035 C THR A 68 -16.202 -2.802 3.626 1.00 0.64 C ATOM 1036 O THR A 68 -17.339 -2.600 4.003 1.00 0.86 O ATOM 1037 CB THR A 68 -15.759 -5.259 3.302 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.482 -5.355 3.918 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.919 -6.380 2.274 1.00 1.35 C ATOM 0 H THR A 68 -13.776 -4.168 2.411 1.00 0.53 H new ATOM 0 HA THR A 68 -16.692 -3.896 1.872 1.00 0.62 H new ATOM 0 HB THR A 68 -16.536 -5.353 4.060 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.591 -5.609 4.858 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.828 -7.346 2.772 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.899 -6.305 1.803 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.144 -6.289 1.513 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.202 -2.091 4.076 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.444 -1.007 5.071 1.00 0.61 C ATOM 1049 C GLU A 69 -15.333 0.368 4.403 1.00 0.57 C ATOM 1050 O GLU A 69 -16.203 1.205 4.540 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.345 -1.184 6.120 1.00 0.63 C ATOM 1052 CG GLU A 69 -14.804 -0.574 7.445 1.00 0.83 C ATOM 1053 CD GLU A 69 -13.927 -1.105 8.581 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.759 -2.312 8.657 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -13.439 -0.298 9.354 1.00 2.10 O ATOM 0 H GLU A 69 -14.229 -2.214 3.797 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.441 -1.064 5.507 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.121 -2.242 6.253 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.426 -0.703 5.785 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -14.740 0.513 7.399 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -15.849 -0.824 7.630 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.269 0.610 3.686 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.108 1.933 3.015 1.00 0.57 C ATOM 1064 C GLU A 70 -14.236 1.778 1.497 1.00 0.72 C ATOM 1065 O GLU A 70 -13.381 2.202 0.744 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.703 2.402 3.392 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.601 2.525 4.913 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.625 1.474 5.445 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -10.613 1.253 4.800 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -11.906 0.907 6.487 1.00 1.97 O ATOM 0 H GLU A 70 -13.505 -0.049 3.536 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.871 2.647 3.324 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.960 1.695 3.022 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.490 3.363 2.923 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.261 3.524 5.186 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.583 2.388 5.366 1.00 1.05 H new ATOM 1077 N SER A 71 -15.299 1.174 1.044 1.00 0.55 N ATOM 1078 CA SER A 71 -15.489 0.988 -0.423 1.00 0.66 C ATOM 1079 C SER A 71 -15.556 2.346 -1.131 1.00 0.70 C ATOM 1080 O SER A 71 -15.379 2.438 -2.329 1.00 0.94 O ATOM 1081 CB SER A 71 -16.822 0.251 -0.555 1.00 0.79 C ATOM 1082 OG SER A 71 -16.893 -0.365 -1.835 1.00 1.48 O ATOM 0 H SER A 71 -16.047 0.800 1.628 1.00 0.55 H new ATOM 0 HA SER A 71 -14.666 0.436 -0.878 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.914 -0.501 0.229 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.650 0.948 -0.427 1.00 0.79 H new ATOM 0 HG SER A 71 -17.746 -0.840 -1.923 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.815 3.400 -0.404 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.896 4.746 -1.043 1.00 0.71 C ATOM 1090 C ASP A 72 -14.652 5.011 -1.892 1.00 0.68 C ATOM 1091 O ASP A 72 -14.739 5.443 -3.025 1.00 0.77 O ATOM 1092 CB ASP A 72 -15.974 5.734 0.121 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.395 5.741 0.689 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.320 5.926 -0.085 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -17.534 5.562 1.887 1.00 1.83 O ATOM 0 H ASP A 72 -15.974 3.387 0.603 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.754 4.833 -1.710 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.262 5.455 0.897 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.701 6.734 -0.217 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.495 4.749 -1.355 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.243 4.980 -2.132 1.00 0.68 C ATOM 1102 C LEU A 73 -12.165 3.998 -3.300 1.00 0.60 C ATOM 1103 O LEU A 73 -11.823 4.358 -4.410 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.105 4.731 -1.142 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.286 5.631 0.082 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.300 4.773 1.349 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.129 6.629 0.156 1.00 0.97 C ATOM 0 H LEU A 73 -13.360 4.385 -0.412 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.197 5.984 -2.554 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.096 3.684 -0.838 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.145 4.934 -1.617 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.229 6.172 -0.001 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -11.429 5.414 2.221 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.124 4.061 1.297 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.357 4.232 1.433 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.257 7.271 1.028 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.186 6.088 0.239 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.118 7.241 -0.746 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.484 2.758 -3.057 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.435 1.745 -4.151 1.00 0.56 C ATOM 1121 C ALA A 74 -13.402 2.137 -5.270 1.00 0.59 C ATOM 1122 O ALA A 74 -13.074 2.078 -6.437 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.871 0.434 -3.497 1.00 0.60 C ATOM 0 H ALA A 74 -12.777 2.400 -2.148 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.445 1.664 -4.599 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.861 -0.364 -4.240 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -12.184 0.185 -2.688 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.879 0.545 -3.097 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.592 2.543 -4.920 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.577 2.945 -5.963 1.00 0.76 C ATOM 1131 C GLN A 75 -15.024 4.114 -6.782 1.00 0.78 C ATOM 1132 O GLN A 75 -15.204 4.184 -7.981 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.822 3.375 -5.186 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.984 3.589 -6.158 1.00 1.42 C ATOM 1135 CD GLN A 75 -19.041 2.506 -5.935 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -18.765 1.332 -6.077 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -20.251 2.854 -5.589 1.00 2.40 N ATOM 0 H GLN A 75 -14.924 2.614 -3.958 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.794 2.138 -6.663 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -17.085 2.615 -4.451 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -16.621 4.294 -4.636 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -18.422 4.576 -6.007 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.623 3.554 -7.186 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -20.484 3.840 -5.470 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.964 2.140 -5.438 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.348 5.030 -6.142 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.781 6.191 -6.885 1.00 0.84 C ATOM 1148 C GLN A 76 -12.793 5.704 -7.944 1.00 0.83 C ATOM 1149 O GLN A 76 -12.733 6.224 -9.041 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.064 7.026 -5.825 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.831 8.331 -5.599 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.210 9.441 -6.448 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -13.047 9.290 -7.643 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -12.853 10.559 -5.877 1.00 1.97 N ATOM 0 H GLN A 76 -14.164 5.024 -5.139 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.547 6.765 -7.405 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.994 6.467 -4.892 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.044 7.242 -6.145 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -14.880 8.199 -5.864 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -13.801 8.605 -4.544 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -12.990 10.686 -4.874 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -12.437 11.306 -6.434 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.019 4.706 -7.623 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.033 4.176 -8.608 1.00 0.81 C ATOM 1165 C TYR A 77 -11.698 3.135 -9.510 1.00 0.83 C ATOM 1166 O TYR A 77 -11.232 2.851 -10.596 1.00 1.00 O ATOM 1167 CB TYR A 77 -9.937 3.532 -7.760 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.967 4.596 -7.300 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.898 4.971 -8.123 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -9.137 5.205 -6.052 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -7.000 5.957 -7.696 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -8.240 6.191 -5.625 1.00 1.19 C ATOM 1173 CZ TYR A 77 -7.170 6.567 -6.447 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.285 7.538 -6.028 1.00 1.22 O ATOM 0 H TYR A 77 -12.026 4.233 -6.719 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.638 4.955 -9.261 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.377 3.029 -6.899 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.413 2.772 -8.340 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -7.766 4.500 -9.086 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -9.961 4.914 -5.417 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.176 6.247 -8.330 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -8.373 6.662 -4.662 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.419 7.126 -5.826 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.786 2.563 -9.069 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.480 1.541 -9.902 1.00 0.87 C ATOM 1186 C GLY A 78 -12.655 0.253 -9.916 1.00 0.88 C ATOM 1187 O GLY A 78 -12.423 -0.335 -10.953 1.00 1.52 O ATOM 0 H GLY A 78 -13.223 2.759 -8.169 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.475 1.345 -9.502 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.612 1.913 -10.918 1.00 0.87 H new ATOM 1191 N VAL A 79 -12.209 -0.190 -8.772 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.397 -1.441 -8.725 1.00 0.79 C ATOM 1193 C VAL A 79 -12.224 -2.626 -9.232 1.00 1.13 C ATOM 1194 O VAL A 79 -13.435 -2.562 -9.307 1.00 1.54 O ATOM 1195 CB VAL A 79 -11.032 -1.626 -7.250 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -10.313 -0.374 -6.742 1.00 0.72 C ATOM 1197 CG2 VAL A 79 -12.302 -1.854 -6.426 1.00 1.30 C ATOM 0 H VAL A 79 -12.371 0.258 -7.870 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.510 -1.382 -9.355 1.00 0.79 H new ATOM 0 HB VAL A 79 -10.377 -2.491 -7.148 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -10.053 -0.505 -5.692 1.00 0.72 H new ATOM 0 HG12 VAL A 79 -9.405 -0.215 -7.324 1.00 0.72 H new ATOM 0 HG13 VAL A 79 -10.968 0.490 -6.848 1.00 0.72 H new ATOM 0 HG21 VAL A 79 -12.036 -1.985 -5.377 1.00 1.30 H new ATOM 0 HG22 VAL A 79 -12.962 -0.992 -6.528 1.00 1.30 H new ATOM 0 HG23 VAL A 79 -12.813 -2.747 -6.785 1.00 1.30 H new ATOM 1207 N ARG A 80 -11.581 -3.706 -9.580 1.00 1.27 N ATOM 1208 CA ARG A 80 -12.333 -4.891 -10.079 1.00 1.72 C ATOM 1209 C ARG A 80 -11.483 -6.155 -9.936 1.00 1.38 C ATOM 1210 O ARG A 80 -11.469 -7.007 -10.802 1.00 1.87 O ATOM 1211 CB ARG A 80 -12.607 -4.593 -11.553 1.00 2.38 C ATOM 1212 CG ARG A 80 -11.280 -4.365 -12.282 1.00 2.85 C ATOM 1213 CD ARG A 80 -11.438 -4.741 -13.757 1.00 3.49 C ATOM 1214 NE ARG A 80 -12.009 -3.527 -14.404 1.00 4.06 N ATOM 1215 CZ ARG A 80 -12.631 -3.629 -15.546 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -11.954 -3.609 -16.662 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -13.931 -3.748 -15.573 1.00 5.09 N ATOM 0 H ARG A 80 -10.568 -3.819 -9.540 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.253 -5.062 -9.520 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -13.147 -5.423 -12.009 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -13.241 -3.711 -11.645 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -10.978 -3.322 -12.192 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -10.494 -4.965 -11.825 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -10.480 -5.011 -14.201 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -12.098 -5.600 -13.877 1.00 3.49 H new ATOM 0 HE ARG A 80 -11.914 -2.616 -13.954 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -10.939 -3.514 -16.641 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -12.440 -3.689 -17.555 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -14.460 -3.761 -14.701 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -14.417 -3.828 -16.466 1.00 5.09 H new ATOM 1231 N GLY A 81 -10.773 -6.283 -8.849 1.00 0.87 N ATOM 1232 CA GLY A 81 -9.925 -7.494 -8.653 1.00 0.81 C ATOM 1233 C GLY A 81 -9.099 -7.339 -7.374 1.00 0.74 C ATOM 1234 O GLY A 81 -8.279 -6.451 -7.255 1.00 1.17 O ATOM 0 H GLY A 81 -10.743 -5.603 -8.089 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -10.552 -8.383 -8.588 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -9.265 -7.631 -9.510 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.308 -8.201 -6.416 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.535 -8.105 -5.146 1.00 0.52 C ATOM 1240 C TYR A 82 -7.475 -9.221 -5.086 1.00 0.54 C ATOM 1241 O TYR A 82 -7.681 -10.280 -5.644 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.572 -8.296 -4.037 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.651 -7.247 -4.166 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -11.693 -7.421 -5.084 1.00 0.97 C ATOM 1245 CD2 TYR A 82 -10.611 -6.101 -3.363 1.00 0.64 C ATOM 1246 CE1 TYR A 82 -12.694 -6.450 -5.200 1.00 1.04 C ATOM 1247 CE2 TYR A 82 -11.612 -5.129 -3.479 1.00 0.68 C ATOM 1248 CZ TYR A 82 -12.654 -5.303 -4.397 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.641 -4.345 -4.510 1.00 0.85 O ATOM 0 H TYR A 82 -9.980 -8.967 -6.458 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.007 -7.156 -5.054 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.010 -9.292 -4.102 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.093 -8.221 -3.061 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -11.725 -8.305 -5.703 1.00 0.97 H new ATOM 0 HD2 TYR A 82 -9.808 -5.967 -2.654 1.00 0.64 H new ATOM 0 HE1 TYR A 82 -13.498 -6.585 -5.909 1.00 1.04 H new ATOM 0 HE2 TYR A 82 -11.580 -4.245 -2.860 1.00 0.68 H new ATOM 0 HH TYR A 82 -13.463 -3.616 -3.880 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.364 -8.965 -4.415 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.120 -7.665 -3.734 1.00 0.51 C ATOM 1261 C PRO A 83 -5.589 -6.630 -4.732 1.00 0.51 C ATOM 1262 O PRO A 83 -4.828 -6.947 -5.624 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.056 -7.999 -2.697 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.336 -9.202 -3.231 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.237 -9.886 -4.234 1.00 0.64 C ATOM 0 HA PRO A 83 -7.022 -7.237 -3.296 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.371 -7.163 -2.555 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.506 -8.210 -1.727 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.399 -8.906 -3.702 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.083 -9.885 -2.420 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -4.717 -10.065 -5.175 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.574 -10.855 -3.867 1.00 0.64 H new ATOM 1273 N THR A 84 -5.979 -5.394 -4.581 1.00 0.45 N ATOM 1274 CA THR A 84 -5.488 -4.338 -5.516 1.00 0.45 C ATOM 1275 C THR A 84 -4.464 -3.452 -4.801 1.00 0.43 C ATOM 1276 O THR A 84 -4.760 -2.828 -3.802 1.00 0.52 O ATOM 1277 CB THR A 84 -6.730 -3.528 -5.897 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.866 -4.382 -5.916 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.532 -2.911 -7.283 1.00 0.56 C ATOM 0 H THR A 84 -6.615 -5.069 -3.853 1.00 0.45 H new ATOM 0 HA THR A 84 -4.997 -4.755 -6.395 1.00 0.45 H new ATOM 0 HB THR A 84 -6.884 -2.735 -5.165 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.736 -5.084 -6.587 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.416 -2.334 -7.554 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.662 -2.255 -7.268 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.377 -3.703 -8.015 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.258 -3.400 -5.297 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.218 -2.562 -4.632 1.00 0.41 C ATOM 1289 C ILE A 85 -1.653 -1.531 -5.612 1.00 0.41 C ATOM 1290 O ILE A 85 -1.234 -1.860 -6.703 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.130 -3.548 -4.207 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.752 -4.650 -3.345 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.061 -2.812 -3.398 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.037 -5.877 -4.211 1.00 1.27 C ATOM 0 H ILE A 85 -2.948 -3.899 -6.131 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.620 -2.004 -3.786 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.674 -3.990 -5.093 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -1.076 -4.915 -2.532 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.675 -4.292 -2.889 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.715 -3.515 -3.095 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.381 -2.026 -4.010 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.516 -2.370 -2.512 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.480 -6.661 -3.597 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -2.729 -5.607 -5.009 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.106 -6.239 -4.646 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.633 -0.286 -5.224 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.085 0.767 -6.129 1.00 0.40 C ATOM 1308 C LYS A 86 -0.070 1.628 -5.374 1.00 0.38 C ATOM 1309 O LYS A 86 0.029 1.569 -4.164 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.292 1.607 -6.551 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.368 0.696 -7.148 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.282 1.517 -8.060 1.00 1.03 C ATOM 1313 CE LYS A 86 -3.464 2.098 -9.215 1.00 1.37 C ATOM 1314 NZ LYS A 86 -4.380 2.058 -10.390 1.00 1.73 N ATOM 0 H LYS A 86 -1.971 0.049 -4.322 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.570 0.342 -6.990 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -2.692 2.144 -5.691 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -1.989 2.356 -7.282 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -2.903 -0.112 -7.713 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.951 0.234 -6.352 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -5.084 0.890 -8.448 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -4.752 2.321 -7.493 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -3.143 3.117 -8.999 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -2.563 1.511 -9.396 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -3.891 2.441 -11.224 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -4.664 1.075 -10.576 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.225 2.630 -10.191 1.00 1.73 H new ATOM 1328 N PHE A 87 0.688 2.425 -6.076 1.00 0.37 N ATOM 1329 CA PHE A 87 1.697 3.283 -5.391 1.00 0.36 C ATOM 1330 C PHE A 87 1.361 4.764 -5.582 1.00 0.33 C ATOM 1331 O PHE A 87 1.147 5.227 -6.685 1.00 0.37 O ATOM 1332 CB PHE A 87 3.030 2.947 -6.063 1.00 0.42 C ATOM 1333 CG PHE A 87 4.121 3.827 -5.492 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.204 4.038 -4.109 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.047 4.436 -6.348 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.211 4.856 -3.584 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.055 5.254 -5.822 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.136 5.464 -4.440 1.00 0.72 C ATOM 0 H PHE A 87 0.653 2.519 -7.091 1.00 0.37 H new ATOM 0 HA PHE A 87 1.723 3.102 -4.316 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.275 1.897 -5.904 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.954 3.097 -7.140 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.490 3.569 -3.448 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.984 4.275 -7.414 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.274 5.018 -2.518 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.770 5.723 -6.482 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.913 6.095 -4.035 1.00 0.72 H new ATOM 1348 N PHE A 88 1.319 5.510 -4.513 1.00 0.33 N ATOM 1349 CA PHE A 88 1.005 6.962 -4.624 1.00 0.35 C ATOM 1350 C PHE A 88 2.251 7.794 -4.301 1.00 0.42 C ATOM 1351 O PHE A 88 3.196 7.305 -3.715 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.092 7.202 -3.590 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.418 6.753 -4.156 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.102 7.570 -5.065 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -1.963 5.523 -3.772 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.332 7.155 -5.589 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.193 5.109 -4.296 1.00 0.73 C ATOM 1358 CZ PHE A 88 -3.873 5.918 -5.209 1.00 0.62 C ATOM 0 H PHE A 88 1.489 5.175 -3.565 1.00 0.33 H new ATOM 0 HA PHE A 88 0.687 7.248 -5.627 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.130 6.654 -2.674 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.135 8.259 -3.327 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.681 8.519 -5.361 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -1.435 4.893 -3.071 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.864 7.787 -6.285 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -3.617 4.163 -3.994 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.816 5.591 -5.623 1.00 0.62 H new ATOM 1368 N ARG A 89 2.267 9.044 -4.682 1.00 0.47 N ATOM 1369 CA ARG A 89 3.464 9.889 -4.395 1.00 0.55 C ATOM 1370 C ARG A 89 3.053 11.326 -4.053 1.00 0.64 C ATOM 1371 O ARG A 89 2.707 12.107 -4.917 1.00 1.05 O ATOM 1372 CB ARG A 89 4.286 9.862 -5.685 1.00 0.73 C ATOM 1373 CG ARG A 89 5.647 10.520 -5.438 1.00 1.15 C ATOM 1374 CD ARG A 89 5.625 11.955 -5.968 1.00 1.42 C ATOM 1375 NE ARG A 89 6.851 12.075 -6.806 1.00 1.73 N ATOM 1376 CZ ARG A 89 6.897 12.948 -7.775 1.00 2.07 C ATOM 1377 NH1 ARG A 89 5.897 13.051 -8.608 1.00 2.56 N ATOM 1378 NH2 ARG A 89 7.942 13.718 -7.912 1.00 2.43 N ATOM 0 H ARG A 89 1.509 9.514 -5.176 1.00 0.47 H new ATOM 0 HA ARG A 89 4.025 9.516 -3.538 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.423 8.834 -6.020 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.755 10.388 -6.478 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.875 10.518 -4.372 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.433 9.950 -5.933 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.726 12.146 -6.554 1.00 1.42 H new ATOM 0 HD3 ARG A 89 5.632 12.677 -5.152 1.00 1.42 H new ATOM 0 HE ARG A 89 7.655 11.475 -6.622 1.00 1.73 H new ATOM 0 HH11 ARG A 89 5.080 12.449 -8.501 1.00 2.56 H new ATOM 0 HH12 ARG A 89 5.932 13.733 -9.365 1.00 2.56 H new ATOM 0 HH21 ARG A 89 8.723 13.638 -7.261 1.00 2.43 H new ATOM 0 HH22 ARG A 89 7.977 14.400 -8.670 1.00 2.43 H new ATOM 1392 N ASN A 90 3.107 11.682 -2.797 1.00 0.57 N ATOM 1393 CA ASN A 90 2.740 13.071 -2.389 1.00 0.68 C ATOM 1394 C ASN A 90 1.394 13.484 -2.995 1.00 0.69 C ATOM 1395 O ASN A 90 1.322 14.375 -3.817 1.00 0.98 O ATOM 1396 CB ASN A 90 3.867 13.950 -2.937 1.00 0.87 C ATOM 1397 CG ASN A 90 3.565 15.419 -2.635 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.587 16.250 -3.521 1.00 1.65 O ATOM 1399 ND2 ASN A 90 3.286 15.777 -1.411 1.00 1.74 N ATOM 0 H ASN A 90 3.390 11.069 -2.033 1.00 0.57 H new ATOM 0 HA ASN A 90 2.631 13.162 -1.308 1.00 0.68 H new ATOM 0 HB2 ASN A 90 4.817 13.663 -2.486 1.00 0.87 H new ATOM 0 HB3 ASN A 90 3.967 13.802 -4.012 1.00 0.87 H new ATOM 0 HD21 ASN A 90 3.086 16.754 -1.198 1.00 1.74 H new ATOM 0 HD22 ASN A 90 3.268 15.079 -0.667 1.00 1.74 H new ATOM 1406 N GLY A 91 0.325 12.854 -2.586 1.00 0.65 N ATOM 1407 CA GLY A 91 -1.013 13.223 -3.132 1.00 0.75 C ATOM 1408 C GLY A 91 -0.979 13.205 -4.663 1.00 0.79 C ATOM 1409 O GLY A 91 -0.674 14.195 -5.298 1.00 1.19 O ATOM 0 H GLY A 91 0.321 12.101 -1.898 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.768 12.525 -2.769 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -1.298 14.214 -2.778 1.00 0.75 H new ATOM 1413 N ASP A 92 -1.300 12.091 -5.259 1.00 0.90 N ATOM 1414 CA ASP A 92 -1.297 12.011 -6.748 1.00 1.27 C ATOM 1415 C ASP A 92 -2.699 12.312 -7.286 1.00 1.14 C ATOM 1416 O ASP A 92 -2.918 13.304 -7.952 1.00 1.70 O ATOM 1417 CB ASP A 92 -0.895 10.572 -7.070 1.00 1.93 C ATOM 1418 CG ASP A 92 0.180 10.572 -8.159 1.00 2.15 C ATOM 1419 OD1 ASP A 92 1.344 10.691 -7.815 1.00 2.41 O ATOM 1420 OD2 ASP A 92 -0.180 10.452 -9.319 1.00 2.68 O ATOM 0 H ASP A 92 -1.565 11.231 -4.779 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.616 12.731 -7.202 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -0.519 10.079 -6.173 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -1.765 10.006 -7.403 1.00 1.93 H new ATOM 1425 N THR A 93 -3.651 11.459 -6.991 1.00 0.96 N ATOM 1426 CA THR A 93 -5.056 11.678 -7.472 1.00 1.33 C ATOM 1427 C THR A 93 -5.072 12.106 -8.943 1.00 1.26 C ATOM 1428 O THR A 93 -5.949 12.825 -9.380 1.00 1.90 O ATOM 1429 CB THR A 93 -5.647 12.788 -6.585 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.621 13.431 -5.838 1.00 2.10 O ATOM 1431 CG2 THR A 93 -6.668 12.177 -5.625 1.00 1.92 C ATOM 0 H THR A 93 -3.516 10.615 -6.434 1.00 0.96 H new ATOM 0 HA THR A 93 -5.638 10.759 -7.404 1.00 1.33 H new ATOM 0 HB THR A 93 -6.131 13.528 -7.223 1.00 1.74 H new ATOM 0 HG1 THR A 93 -5.014 14.135 -5.281 1.00 2.10 H new ATOM 0 HG21 THR A 93 -7.089 12.960 -4.995 1.00 1.92 H new ATOM 0 HG22 THR A 93 -7.466 11.703 -6.196 1.00 1.92 H new ATOM 0 HG23 THR A 93 -6.178 11.432 -4.999 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.111 11.671 -9.708 1.00 1.18 N ATOM 1440 CA ALA A 94 -4.076 12.057 -11.147 1.00 1.18 C ATOM 1441 C ALA A 94 -3.260 11.043 -11.948 1.00 1.14 C ATOM 1442 O ALA A 94 -3.635 10.647 -13.033 1.00 1.48 O ATOM 1443 CB ALA A 94 -3.400 13.428 -11.172 1.00 1.24 C ATOM 0 H ALA A 94 -3.349 11.066 -9.401 1.00 1.18 H new ATOM 0 HA ALA A 94 -5.071 12.084 -11.591 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -3.336 13.783 -12.200 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -3.985 14.133 -10.581 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -2.397 13.347 -10.753 1.00 1.24 H new ATOM 1449 N SER A 95 -2.146 10.622 -11.422 1.00 1.20 N ATOM 1450 CA SER A 95 -1.303 9.635 -12.155 1.00 1.22 C ATOM 1451 C SER A 95 -0.715 8.605 -11.182 1.00 0.98 C ATOM 1452 O SER A 95 0.487 8.518 -11.032 1.00 0.98 O ATOM 1453 CB SER A 95 -0.190 10.467 -12.795 1.00 1.48 C ATOM 1454 OG SER A 95 0.709 9.608 -13.480 1.00 2.01 O ATOM 0 H SER A 95 -1.781 10.917 -10.516 1.00 1.20 H new ATOM 0 HA SER A 95 -1.874 9.075 -12.896 1.00 1.22 H new ATOM 0 HB2 SER A 95 -0.616 11.192 -13.488 1.00 1.48 H new ATOM 0 HB3 SER A 95 0.342 11.032 -12.030 1.00 1.48 H new ATOM 0 HG SER A 95 1.073 8.949 -12.853 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.582 7.847 -10.554 1.00 0.87 N ATOM 1461 CA PRO A 96 -1.124 6.811 -9.596 1.00 0.72 C ATOM 1462 C PRO A 96 -0.462 5.655 -10.351 1.00 0.65 C ATOM 1463 O PRO A 96 -0.625 5.510 -11.545 1.00 0.79 O ATOM 1464 CB PRO A 96 -2.410 6.354 -8.916 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.496 6.665 -9.898 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.048 7.873 -10.678 1.00 1.02 C ATOM 0 HA PRO A 96 -0.384 7.177 -8.884 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -2.378 5.289 -8.686 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -2.567 6.879 -7.974 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.669 5.819 -10.563 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -4.436 6.864 -9.384 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.362 7.815 -11.720 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.468 8.792 -10.269 1.00 1.02 H new ATOM 1474 N LYS A 97 0.289 4.833 -9.670 1.00 0.55 N ATOM 1475 CA LYS A 97 0.958 3.701 -10.358 1.00 0.57 C ATOM 1476 C LYS A 97 0.375 2.369 -9.884 1.00 0.53 C ATOM 1477 O LYS A 97 -0.381 2.312 -8.933 1.00 0.89 O ATOM 1478 CB LYS A 97 2.423 3.820 -9.951 1.00 0.68 C ATOM 1479 CG LYS A 97 3.005 5.123 -10.508 1.00 0.85 C ATOM 1480 CD LYS A 97 3.404 4.924 -11.971 1.00 1.63 C ATOM 1481 CE LYS A 97 3.743 6.278 -12.597 1.00 2.05 C ATOM 1482 NZ LYS A 97 4.196 5.961 -13.981 1.00 2.61 N ATOM 0 H LYS A 97 0.466 4.899 -8.668 1.00 0.55 H new ATOM 0 HA LYS A 97 0.824 3.732 -11.439 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.512 3.805 -8.865 1.00 0.68 H new ATOM 0 HB3 LYS A 97 2.987 2.967 -10.329 1.00 0.68 H new ATOM 0 HG2 LYS A 97 2.271 5.925 -10.427 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.873 5.425 -9.922 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.263 4.256 -12.037 1.00 1.63 H new ATOM 0 HD3 LYS A 97 2.589 4.451 -12.520 1.00 1.63 H new ATOM 0 HE2 LYS A 97 2.874 6.937 -12.607 1.00 2.05 H new ATOM 0 HE3 LYS A 97 4.524 6.789 -12.034 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.447 6.842 -14.475 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 5.028 5.338 -13.940 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 3.430 5.482 -14.496 1.00 2.61 H new ATOM 1496 N GLU A 98 0.722 1.296 -10.538 1.00 0.51 N ATOM 1497 CA GLU A 98 0.192 -0.035 -10.126 1.00 0.48 C ATOM 1498 C GLU A 98 1.337 -0.921 -9.630 1.00 0.45 C ATOM 1499 O GLU A 98 2.487 -0.701 -9.951 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.436 -0.622 -11.391 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.973 -2.022 -11.091 1.00 1.33 C ATOM 1502 CD GLU A 98 -2.076 -1.932 -10.034 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -2.940 -1.084 -10.181 1.00 2.61 O ATOM 1504 OE2 GLU A 98 -2.037 -2.713 -9.098 1.00 2.79 O ATOM 0 H GLU A 98 1.351 1.283 -11.341 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.531 0.038 -9.313 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.243 0.021 -11.741 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.304 -0.668 -12.190 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -1.364 -2.476 -12.002 1.00 1.33 H new ATOM 0 HG3 GLU A 98 -0.167 -2.664 -10.736 1.00 1.33 H new ATOM 1511 N TYR A 99 1.031 -1.919 -8.847 1.00 0.45 N ATOM 1512 CA TYR A 99 2.106 -2.812 -8.329 1.00 0.46 C ATOM 1513 C TYR A 99 2.209 -4.077 -9.183 1.00 0.53 C ATOM 1514 O TYR A 99 1.222 -4.723 -9.479 1.00 0.67 O ATOM 1515 CB TYR A 99 1.677 -3.161 -6.903 1.00 0.52 C ATOM 1516 CG TYR A 99 2.670 -4.126 -6.298 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.044 -3.890 -6.431 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.217 -5.255 -5.606 1.00 1.58 C ATOM 1519 CE1 TYR A 99 4.964 -4.784 -5.870 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.139 -6.148 -5.045 1.00 2.05 C ATOM 1521 CZ TYR A 99 4.508 -5.917 -5.178 1.00 1.70 C ATOM 1522 OH TYR A 99 5.420 -6.792 -4.624 1.00 2.27 O ATOM 0 H TYR A 99 0.086 -2.154 -8.544 1.00 0.45 H new ATOM 0 HA TYR A 99 3.085 -2.334 -8.357 1.00 0.46 H new ATOM 0 HB2 TYR A 99 1.619 -2.256 -6.298 1.00 0.52 H new ATOM 0 HB3 TYR A 99 0.681 -3.604 -6.910 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.394 -3.019 -6.966 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.157 -5.438 -5.505 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.024 -4.602 -5.970 1.00 1.49 H new ATOM 0 HE2 TYR A 99 2.789 -7.017 -4.508 1.00 2.05 H new ATOM 0 HH TYR A 99 4.950 -7.579 -4.277 1.00 2.27 H new ATOM 1532 N THR A 100 3.399 -4.438 -9.578 1.00 0.60 N ATOM 1533 CA THR A 100 3.571 -5.665 -10.409 1.00 0.72 C ATOM 1534 C THR A 100 4.191 -6.783 -9.564 1.00 0.83 C ATOM 1535 O THR A 100 4.011 -6.837 -8.363 1.00 1.71 O ATOM 1536 CB THR A 100 4.521 -5.251 -11.535 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.788 -4.916 -10.985 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.946 -4.039 -12.272 1.00 1.13 C ATOM 0 H THR A 100 4.261 -3.937 -9.362 1.00 0.60 H new ATOM 0 HA THR A 100 2.625 -6.043 -10.796 1.00 0.72 H new ATOM 0 HB THR A 100 4.636 -6.078 -12.236 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.756 -4.008 -10.619 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.624 -3.745 -13.074 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.975 -4.297 -12.694 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.829 -3.210 -11.574 1.00 1.13 H new ATOM 1546 N ALA A 101 4.918 -7.676 -10.179 1.00 0.83 N ATOM 1547 CA ALA A 101 5.546 -8.787 -9.406 1.00 1.01 C ATOM 1548 C ALA A 101 4.484 -9.521 -8.581 1.00 1.36 C ATOM 1549 O ALA A 101 3.337 -9.610 -8.970 1.00 1.98 O ATOM 1550 CB ALA A 101 6.568 -8.109 -8.492 1.00 0.87 C ATOM 0 H ALA A 101 5.104 -7.685 -11.182 1.00 0.83 H new ATOM 0 HA ALA A 101 6.013 -9.529 -10.053 1.00 1.01 H new ATOM 0 HB1 ALA A 101 7.074 -8.863 -7.889 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.302 -7.577 -9.098 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.058 -7.403 -7.837 1.00 0.87 H new ATOM 1556 N GLY A 102 4.855 -10.050 -7.445 1.00 1.17 N ATOM 1557 CA GLY A 102 3.861 -10.776 -6.605 1.00 1.71 C ATOM 1558 C GLY A 102 4.435 -12.131 -6.191 1.00 1.08 C ATOM 1559 O GLY A 102 4.209 -13.136 -6.836 1.00 1.27 O ATOM 0 H GLY A 102 5.800 -10.010 -7.064 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.617 -10.187 -5.721 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.934 -10.916 -7.160 1.00 1.71 H new ATOM 1563 N ARG A 103 5.175 -12.167 -5.119 1.00 0.90 N ATOM 1564 CA ARG A 103 5.764 -13.459 -4.662 1.00 1.11 C ATOM 1565 C ARG A 103 5.944 -13.452 -3.142 1.00 0.94 C ATOM 1566 O ARG A 103 5.689 -14.432 -2.471 1.00 1.04 O ATOM 1567 CB ARG A 103 7.121 -13.549 -5.363 1.00 1.71 C ATOM 1568 CG ARG A 103 7.587 -15.006 -5.392 1.00 2.44 C ATOM 1569 CD ARG A 103 9.071 -15.063 -5.762 1.00 3.16 C ATOM 1570 NE ARG A 103 9.302 -16.466 -6.208 1.00 3.73 N ATOM 1571 CZ ARG A 103 10.340 -16.757 -6.944 1.00 4.34 C ATOM 1572 NH1 ARG A 103 11.487 -16.181 -6.712 1.00 4.84 N ATOM 1573 NH2 ARG A 103 10.231 -17.623 -7.915 1.00 4.81 N ATOM 0 H ARG A 103 5.398 -11.359 -4.538 1.00 0.90 H new ATOM 0 HA ARG A 103 5.125 -14.309 -4.901 1.00 1.11 H new ATOM 0 HB2 ARG A 103 7.044 -13.161 -6.379 1.00 1.71 H new ATOM 0 HB3 ARG A 103 7.853 -12.933 -4.841 1.00 1.71 H new ATOM 0 HG2 ARG A 103 7.427 -15.469 -4.418 1.00 2.44 H new ATOM 0 HG3 ARG A 103 7.000 -15.572 -6.115 1.00 2.44 H new ATOM 0 HD2 ARG A 103 9.308 -14.353 -6.554 1.00 3.16 H new ATOM 0 HD3 ARG A 103 9.701 -14.811 -4.909 1.00 3.16 H new ATOM 0 HE ARG A 103 8.648 -17.200 -5.938 1.00 3.73 H new ATOM 0 HH11 ARG A 103 11.573 -15.503 -5.955 1.00 4.84 H new ATOM 0 HH12 ARG A 103 12.298 -16.409 -7.287 1.00 4.84 H new ATOM 0 HH21 ARG A 103 9.334 -18.073 -8.099 1.00 4.81 H new ATOM 0 HH22 ARG A 103 11.043 -17.850 -8.490 1.00 4.81 H new ATOM 1587 N GLU A 104 6.382 -12.353 -2.596 1.00 0.75 N ATOM 1588 CA GLU A 104 6.580 -12.278 -1.120 1.00 0.66 C ATOM 1589 C GLU A 104 6.985 -10.859 -0.719 1.00 0.56 C ATOM 1590 O GLU A 104 7.153 -9.992 -1.554 1.00 0.57 O ATOM 1591 CB GLU A 104 7.705 -13.270 -0.817 1.00 0.79 C ATOM 1592 CG GLU A 104 8.950 -12.901 -1.628 1.00 1.59 C ATOM 1593 CD GLU A 104 9.854 -14.128 -1.756 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.364 -15.157 -2.191 1.00 2.04 O ATOM 1595 OE2 GLU A 104 11.022 -14.017 -1.418 1.00 2.51 O ATOM 0 H GLU A 104 6.612 -11.501 -3.108 1.00 0.75 H new ATOM 0 HA GLU A 104 5.673 -12.518 -0.566 1.00 0.66 H new ATOM 0 HB2 GLU A 104 7.936 -13.258 0.248 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.386 -14.283 -1.063 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.661 -12.544 -2.616 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.488 -12.088 -1.140 1.00 1.59 H new ATOM 1602 N ALA A 105 7.133 -10.617 0.558 1.00 0.50 N ATOM 1603 CA ALA A 105 7.522 -9.251 1.036 1.00 0.44 C ATOM 1604 C ALA A 105 8.658 -8.668 0.184 1.00 0.45 C ATOM 1605 O ALA A 105 8.732 -7.475 -0.031 1.00 0.47 O ATOM 1606 CB ALA A 105 7.988 -9.458 2.476 1.00 0.47 C ATOM 0 H ALA A 105 7.001 -11.309 1.296 1.00 0.50 H new ATOM 0 HA ALA A 105 6.693 -8.547 0.964 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.292 -8.501 2.901 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.172 -9.875 3.066 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.833 -10.146 2.490 1.00 0.47 H new ATOM 1612 N ASP A 106 9.539 -9.495 -0.305 1.00 0.51 N ATOM 1613 CA ASP A 106 10.657 -8.974 -1.143 1.00 0.56 C ATOM 1614 C ASP A 106 10.100 -8.235 -2.361 1.00 0.54 C ATOM 1615 O ASP A 106 10.458 -7.108 -2.636 1.00 0.64 O ATOM 1616 CB ASP A 106 11.443 -10.210 -1.584 1.00 0.67 C ATOM 1617 CG ASP A 106 12.129 -10.839 -0.370 1.00 1.18 C ATOM 1618 OD1 ASP A 106 13.243 -10.441 -0.072 1.00 1.82 O ATOM 1619 OD2 ASP A 106 11.530 -11.710 0.239 1.00 2.02 O ATOM 0 H ASP A 106 9.535 -10.505 -0.162 1.00 0.51 H new ATOM 0 HA ASP A 106 11.284 -8.269 -0.597 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.773 -10.932 -2.051 1.00 0.67 H new ATOM 0 HB3 ASP A 106 12.186 -9.934 -2.332 1.00 0.67 H new ATOM 1624 N ASP A 107 9.222 -8.866 -3.089 1.00 0.50 N ATOM 1625 CA ASP A 107 8.635 -8.208 -4.292 1.00 0.52 C ATOM 1626 C ASP A 107 8.058 -6.839 -3.921 1.00 0.51 C ATOM 1627 O ASP A 107 7.990 -5.942 -4.737 1.00 0.63 O ATOM 1628 CB ASP A 107 7.524 -9.153 -4.758 1.00 0.55 C ATOM 1629 CG ASP A 107 7.994 -9.934 -5.988 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.842 -9.425 -6.703 1.00 1.39 O ATOM 1631 OD2 ASP A 107 7.494 -11.028 -6.195 1.00 1.41 O ATOM 0 H ASP A 107 8.884 -9.810 -2.904 1.00 0.50 H new ATOM 0 HA ASP A 107 9.377 -8.036 -5.072 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.260 -9.843 -3.956 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.626 -8.584 -4.998 1.00 0.55 H new ATOM 1636 N ILE A 108 7.649 -6.669 -2.694 1.00 0.46 N ATOM 1637 CA ILE A 108 7.085 -5.354 -2.273 1.00 0.52 C ATOM 1638 C ILE A 108 8.205 -4.316 -2.184 1.00 0.50 C ATOM 1639 O ILE A 108 8.138 -3.255 -2.776 1.00 0.52 O ATOM 1640 CB ILE A 108 6.476 -5.599 -0.892 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.443 -6.729 -0.977 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.798 -4.319 -0.397 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.294 -6.312 -1.898 1.00 0.68 C ATOM 0 H ILE A 108 7.680 -7.382 -1.965 1.00 0.46 H new ATOM 0 HA ILE A 108 6.345 -4.976 -2.979 1.00 0.52 H new ATOM 0 HB ILE A 108 7.264 -5.884 -0.195 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.913 -7.637 -1.355 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.059 -6.959 0.017 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.364 -4.494 0.587 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.535 -3.519 -0.331 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.011 -4.031 -1.094 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.563 -7.118 -1.955 1.00 0.68 H new ATOM 0 HD12 ILE A 108 3.816 -5.416 -1.501 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.684 -6.104 -2.895 1.00 0.68 H new ATOM 1655 N VAL A 109 9.241 -4.619 -1.452 1.00 0.51 N ATOM 1656 CA VAL A 109 10.374 -3.661 -1.325 1.00 0.56 C ATOM 1657 C VAL A 109 11.109 -3.562 -2.659 1.00 0.51 C ATOM 1658 O VAL A 109 11.573 -2.510 -3.052 1.00 0.55 O ATOM 1659 CB VAL A 109 11.284 -4.265 -0.255 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.512 -3.374 -0.065 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.518 -4.366 1.067 1.00 0.86 C ATOM 0 H VAL A 109 9.352 -5.491 -0.935 1.00 0.51 H new ATOM 0 HA VAL A 109 10.048 -2.656 -1.057 1.00 0.56 H new ATOM 0 HB VAL A 109 11.603 -5.259 -0.569 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.160 -3.805 0.698 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.058 -3.301 -1.006 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.195 -2.379 0.248 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.166 -4.797 1.831 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.199 -3.372 1.380 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.643 -5.002 0.933 1.00 0.86 H new ATOM 1671 N ASN A 110 11.208 -4.655 -3.361 1.00 0.50 N ATOM 1672 CA ASN A 110 11.903 -4.640 -4.675 1.00 0.52 C ATOM 1673 C ASN A 110 11.278 -3.583 -5.583 1.00 0.50 C ATOM 1674 O ASN A 110 11.933 -2.658 -6.020 1.00 0.59 O ATOM 1675 CB ASN A 110 11.683 -6.041 -5.241 1.00 0.59 C ATOM 1676 CG ASN A 110 12.831 -6.401 -6.186 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.039 -5.747 -7.189 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.592 -7.423 -5.902 1.00 1.29 N ATOM 0 H ASN A 110 10.835 -5.562 -3.079 1.00 0.50 H new ATOM 0 HA ASN A 110 12.962 -4.396 -4.591 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.626 -6.767 -4.430 1.00 0.59 H new ATOM 0 HB3 ASN A 110 10.733 -6.083 -5.774 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.362 -7.673 -6.522 1.00 1.29 H new ATOM 0 HD22 ASN A 110 13.416 -7.971 -5.060 1.00 1.29 H new ATOM 1685 N TRP A 111 10.013 -3.708 -5.863 1.00 0.46 N ATOM 1686 CA TRP A 111 9.345 -2.702 -6.735 1.00 0.51 C ATOM 1687 C TRP A 111 9.524 -1.307 -6.137 1.00 0.55 C ATOM 1688 O TRP A 111 9.662 -0.328 -6.844 1.00 0.66 O ATOM 1689 CB TRP A 111 7.869 -3.099 -6.750 1.00 0.55 C ATOM 1690 CG TRP A 111 7.166 -2.360 -7.844 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.091 -2.766 -9.133 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.442 -1.098 -7.771 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.367 -1.834 -9.854 1.00 0.84 N ATOM 1694 CE2 TRP A 111 5.945 -0.788 -9.058 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.169 -0.202 -6.721 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.204 0.371 -9.298 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.425 0.966 -6.958 1.00 1.07 C ATOM 1698 CH2 TRP A 111 4.943 1.251 -8.244 1.00 1.14 C ATOM 0 H TRP A 111 9.413 -4.461 -5.527 1.00 0.46 H new ATOM 0 HA TRP A 111 9.762 -2.679 -7.742 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.772 -4.174 -6.902 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.410 -2.870 -5.788 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.526 -3.670 -9.533 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.169 -1.910 -10.852 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.534 -0.413 -5.727 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 4.835 0.586 -10.290 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.223 1.648 -6.145 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.371 2.150 -8.420 1.00 1.14 H new ATOM 1709 N LEU A 112 9.530 -1.212 -4.837 1.00 0.55 N ATOM 1710 CA LEU A 112 9.709 0.117 -4.187 1.00 0.65 C ATOM 1711 C LEU A 112 11.113 0.655 -4.478 1.00 0.65 C ATOM 1712 O LEU A 112 11.285 1.804 -4.835 1.00 0.75 O ATOM 1713 CB LEU A 112 9.533 -0.145 -2.692 1.00 0.74 C ATOM 1714 CG LEU A 112 8.041 -0.185 -2.352 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.848 -0.849 -0.988 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.489 1.240 -2.310 1.00 1.10 C ATOM 0 H LEU A 112 9.419 -1.997 -4.196 1.00 0.55 H new ATOM 0 HA LEU A 112 8.999 0.858 -4.554 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.004 -1.089 -2.420 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.027 0.636 -2.115 1.00 0.74 H new ATOM 0 HG LEU A 112 7.509 -0.757 -3.113 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.786 -0.878 -0.745 1.00 1.49 H new ATOM 0 HD12 LEU A 112 8.241 -1.865 -1.019 1.00 1.49 H new ATOM 0 HD13 LEU A 112 8.379 -0.278 -0.227 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.427 1.212 -2.068 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.019 1.813 -1.550 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.627 1.712 -3.283 1.00 1.10 H new ATOM 1728 N LYS A 113 12.118 -0.166 -4.334 1.00 0.62 N ATOM 1729 CA LYS A 113 13.507 0.303 -4.609 1.00 0.70 C ATOM 1730 C LYS A 113 13.836 0.167 -6.100 1.00 0.75 C ATOM 1731 O LYS A 113 14.826 0.689 -6.575 1.00 1.01 O ATOM 1732 CB LYS A 113 14.405 -0.612 -3.776 1.00 0.79 C ATOM 1733 CG LYS A 113 14.825 0.114 -2.499 1.00 1.42 C ATOM 1734 CD LYS A 113 14.148 -0.537 -1.292 1.00 1.84 C ATOM 1735 CE LYS A 113 13.569 0.550 -0.383 1.00 2.39 C ATOM 1736 NZ LYS A 113 14.694 0.942 0.512 1.00 2.86 N ATOM 0 H LYS A 113 12.038 -1.139 -4.039 1.00 0.62 H new ATOM 0 HA LYS A 113 13.643 1.354 -4.354 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.875 -1.531 -3.527 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.286 -0.898 -4.351 1.00 0.79 H new ATOM 0 HG2 LYS A 113 15.908 0.075 -2.386 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.549 1.167 -2.560 1.00 1.42 H new ATOM 0 HD2 LYS A 113 13.356 -1.208 -1.624 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.868 -1.142 -0.740 1.00 1.84 H new ATOM 0 HE2 LYS A 113 13.211 1.401 -0.963 1.00 2.39 H new ATOM 0 HE3 LYS A 113 12.721 0.175 0.190 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 14.375 1.685 1.166 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 15.009 0.114 1.056 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 15.484 1.301 -0.061 1.00 2.86 H new ATOM 1750 N LYS A 114 13.019 -0.530 -6.845 1.00 0.71 N ATOM 1751 CA LYS A 114 13.294 -0.695 -8.301 1.00 0.89 C ATOM 1752 C LYS A 114 13.445 0.674 -8.972 1.00 1.07 C ATOM 1753 O LYS A 114 14.104 0.811 -9.984 1.00 1.31 O ATOM 1754 CB LYS A 114 12.071 -1.428 -8.851 1.00 0.92 C ATOM 1755 CG LYS A 114 12.240 -1.650 -10.355 1.00 1.45 C ATOM 1756 CD LYS A 114 10.920 -2.146 -10.949 1.00 1.77 C ATOM 1757 CE LYS A 114 11.197 -3.289 -11.927 1.00 2.49 C ATOM 1758 NZ LYS A 114 10.835 -2.745 -13.266 1.00 3.00 N ATOM 0 H LYS A 114 12.174 -0.991 -6.508 1.00 0.71 H new ATOM 0 HA LYS A 114 14.218 -1.242 -8.487 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.949 -2.385 -8.343 1.00 0.92 H new ATOM 0 HB3 LYS A 114 11.169 -0.847 -8.658 1.00 0.92 H new ATOM 0 HG2 LYS A 114 12.543 -0.721 -10.839 1.00 1.45 H new ATOM 0 HG3 LYS A 114 13.030 -2.378 -10.539 1.00 1.45 H new ATOM 0 HD2 LYS A 114 10.257 -2.486 -10.154 1.00 1.77 H new ATOM 0 HD3 LYS A 114 10.411 -1.330 -11.462 1.00 1.77 H new ATOM 0 HE2 LYS A 114 12.243 -3.592 -11.894 1.00 2.49 H new ATOM 0 HE3 LYS A 114 10.602 -4.169 -11.684 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 10.998 -3.472 -13.992 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 9.832 -2.471 -13.270 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 11.422 -1.912 -13.473 1.00 3.00 H new ATOM 1772 N ARG A 115 12.841 1.691 -8.416 1.00 1.09 N ATOM 1773 CA ARG A 115 12.953 3.048 -9.026 1.00 1.40 C ATOM 1774 C ARG A 115 14.141 3.803 -8.427 1.00 1.25 C ATOM 1775 O ARG A 115 14.751 4.635 -9.071 1.00 1.55 O ATOM 1776 CB ARG A 115 11.641 3.750 -8.676 1.00 1.86 C ATOM 1777 CG ARG A 115 11.623 5.139 -9.317 1.00 2.43 C ATOM 1778 CD ARG A 115 10.207 5.712 -9.256 1.00 2.92 C ATOM 1779 NE ARG A 115 10.384 7.185 -9.375 1.00 3.45 N ATOM 1780 CZ ARG A 115 9.758 7.985 -8.556 1.00 3.99 C ATOM 1781 NH1 ARG A 115 8.463 8.124 -8.643 1.00 4.34 N ATOM 1782 NH2 ARG A 115 10.427 8.646 -7.652 1.00 4.52 N ATOM 0 H ARG A 115 12.276 1.641 -7.568 1.00 1.09 H new ATOM 0 HA ARG A 115 13.117 3.003 -10.103 1.00 1.40 H new ATOM 0 HB2 ARG A 115 10.795 3.162 -9.031 1.00 1.86 H new ATOM 0 HB3 ARG A 115 11.538 3.835 -7.594 1.00 1.86 H new ATOM 0 HG2 ARG A 115 12.317 5.800 -8.797 1.00 2.43 H new ATOM 0 HG3 ARG A 115 11.957 5.077 -10.353 1.00 2.43 H new ATOM 0 HD2 ARG A 115 9.588 5.322 -10.064 1.00 2.92 H new ATOM 0 HD3 ARG A 115 9.714 5.448 -8.321 1.00 2.92 H new ATOM 0 HE ARG A 115 10.994 7.569 -10.096 1.00 3.45 H new ATOM 0 HH11 ARG A 115 7.941 7.607 -9.351 1.00 4.34 H new ATOM 0 HH12 ARG A 115 7.973 8.749 -8.003 1.00 4.34 H new ATOM 0 HH21 ARG A 115 11.439 8.537 -7.586 1.00 4.52 H new ATOM 0 HH22 ARG A 115 9.938 9.271 -7.012 1.00 4.52 H new ATOM 1796 N THR A 116 14.475 3.521 -7.198 1.00 1.09 N ATOM 1797 CA THR A 116 15.624 4.223 -6.556 1.00 1.33 C ATOM 1798 C THR A 116 16.224 3.347 -5.452 1.00 1.97 C ATOM 1799 O THR A 116 16.212 3.701 -4.290 1.00 2.63 O ATOM 1800 CB THR A 116 15.030 5.503 -5.965 1.00 1.60 C ATOM 1801 OG1 THR A 116 16.034 6.199 -5.240 1.00 2.17 O ATOM 1802 CG2 THR A 116 13.874 5.149 -5.029 1.00 1.81 C ATOM 0 H THR A 116 14.002 2.835 -6.610 1.00 1.09 H new ATOM 0 HA THR A 116 16.425 4.438 -7.263 1.00 1.33 H new ATOM 0 HB THR A 116 14.659 6.136 -6.771 1.00 1.60 H new ATOM 0 HG1 THR A 116 16.415 5.607 -4.559 1.00 2.17 H new ATOM 0 HG21 THR A 116 13.453 6.063 -4.609 1.00 1.81 H new ATOM 0 HG22 THR A 116 13.104 4.617 -5.587 1.00 1.81 H new ATOM 0 HG23 THR A 116 14.240 4.514 -4.222 1.00 1.81 H new ATOM 1810 N GLY A 117 16.746 2.206 -5.810 1.00 2.26 N ATOM 1811 CA GLY A 117 17.345 1.307 -4.784 1.00 3.23 C ATOM 1812 C GLY A 117 18.635 0.690 -5.336 1.00 3.72 C ATOM 1813 O GLY A 117 19.145 1.130 -6.346 1.00 3.64 O ATOM 0 H GLY A 117 16.784 1.858 -6.768 1.00 2.26 H new ATOM 0 HA2 GLY A 117 17.558 1.867 -3.874 1.00 3.23 H new ATOM 0 HA3 GLY A 117 16.639 0.521 -4.517 1.00 3.23 H new ATOM 1817 N PRO A 118 19.125 -0.314 -4.650 1.00 4.60 N ATOM 1818 CA PRO A 118 20.372 -0.991 -5.087 1.00 5.37 C ATOM 1819 C PRO A 118 20.105 -1.852 -6.326 1.00 5.55 C ATOM 1820 O PRO A 118 21.007 -2.183 -7.069 1.00 5.89 O ATOM 1821 CB PRO A 118 20.748 -1.860 -3.890 1.00 6.27 C ATOM 1822 CG PRO A 118 19.461 -2.101 -3.167 1.00 6.17 C ATOM 1823 CD PRO A 118 18.578 -0.908 -3.421 1.00 5.22 C ATOM 0 HA PRO A 118 21.163 -0.295 -5.365 1.00 5.37 H new ATOM 0 HB2 PRO A 118 21.202 -2.798 -4.210 1.00 6.27 H new ATOM 0 HB3 PRO A 118 21.472 -1.357 -3.249 1.00 6.27 H new ATOM 0 HG2 PRO A 118 18.985 -3.015 -3.523 1.00 6.17 H new ATOM 0 HG3 PRO A 118 19.638 -2.229 -2.099 1.00 6.17 H new ATOM 0 HD2 PRO A 118 17.537 -1.203 -3.550 1.00 5.22 H new ATOM 0 HD3 PRO A 118 18.610 -0.204 -2.589 1.00 5.22 H new ATOM 1831 N ALA A 119 18.872 -2.216 -6.551 1.00 5.74 N ATOM 1832 CA ALA A 119 18.546 -3.055 -7.741 1.00 6.37 C ATOM 1833 C ALA A 119 19.421 -4.311 -7.762 1.00 7.12 C ATOM 1834 O ALA A 119 19.906 -4.725 -8.795 1.00 7.52 O ATOM 1835 CB ALA A 119 18.852 -2.168 -8.949 1.00 6.62 C ATOM 0 H ALA A 119 18.076 -1.969 -5.963 1.00 5.74 H new ATOM 0 HA ALA A 119 17.509 -3.392 -7.735 1.00 6.37 H new ATOM 0 HB1 ALA A 119 18.637 -2.716 -9.866 1.00 6.62 H new ATOM 0 HB2 ALA A 119 18.233 -1.272 -8.908 1.00 6.62 H new ATOM 0 HB3 ALA A 119 19.904 -1.884 -8.934 1.00 6.62 H new ATOM 1841 N ALA A 120 19.626 -4.921 -6.626 1.00 7.64 N ATOM 1842 CA ALA A 120 20.468 -6.150 -6.582 1.00 8.64 C ATOM 1843 C ALA A 120 19.598 -7.395 -6.778 1.00 9.09 C ATOM 1844 O ALA A 120 20.143 -8.486 -6.741 1.00 9.37 O ATOM 1845 CB ALA A 120 21.099 -6.149 -5.189 1.00 9.17 C ATOM 1846 OXT ALA A 120 18.403 -7.235 -6.961 1.00 9.38 O ATOM 0 H ALA A 120 19.247 -4.622 -5.728 1.00 7.64 H new ATOM 0 HA ALA A 120 21.221 -6.163 -7.370 1.00 8.64 H new ATOM 0 HB1 ALA A 120 21.736 -7.026 -5.078 1.00 9.17 H new ATOM 0 HB2 ALA A 120 21.698 -5.247 -5.061 1.00 9.17 H new ATOM 0 HB3 ALA A 120 20.313 -6.173 -4.434 1.00 9.17 H new TER 1852 ALA A 120