USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 851 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 141 GLN : amide:sc= 0.682 K(o=-0.74,f=-1.8) USER MOD Set 1.2: A 147 TYR OH : rot 92:sc= -1.42! USER MOD Set 2.1: A 114 LYS NZ :NH3+ 175:sc= 0.55 (180deg=0) USER MOD Set 2.2: A 165 TYR OH : rot 163:sc= 1.57 USER MOD Set 3.1: A 84 GLN : amide:sc= -0.332! C(o=0.74!,f=-3.7!) USER MOD Set 3.2: A 180 SER OG : rot -115:sc= 1.07 USER MOD Set 4.1: A 76 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Set 4.2: A 111 SER OG : rot 111:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 1.1 K(o=1.1,f=-4!) USER MOD Single : A 82 SER OG : rot -150:sc=-0.00686 USER MOD Single : A 85 THR OG1 : rot 150:sc= 0.46 USER MOD Single : A 87 THR OG1 : rot -130:sc= 0 USER MOD Single : A 92 CYS SG : rot 36:sc= 0.0824 USER MOD Single : A 93 SER OG : rot -19:sc= -0.826 USER MOD Single : A 103 ASN : amide:sc= -2.88! X(o=-2.9!,f=-2.7) USER MOD Single : A 104 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 168:sc= -0.0312 (180deg=-0.213) USER MOD Single : A 118 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-4.5!) USER MOD Single : A 119 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0249) USER MOD Single : A 122 ASN : amide:sc= 0.066 K(o=0.066,f=-9.9!) USER MOD Single : A 125 LYS NZ :NH3+ 128:sc= -0.0989 (180deg=-0.499) USER MOD Single : A 128 LYS NZ :NH3+ -159:sc= 1.28 (180deg=1.12) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 LYS NZ :NH3+ -167:sc= -0.0343 (180deg=-0.219) USER MOD Single : A 139 SER OG : rot -100:sc= -0.035 USER MOD Single : A 140 ASN : amide:sc= -0.738 K(o=-0.74,f=0.033) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 THR OG1 : rot 110:sc= 1.67 USER MOD Single : A 152 LYS NZ :NH3+ 137:sc= 1.12 (180deg=-0.254) USER MOD Single : A 153 LYS NZ :NH3+ 159:sc= 1.39 (180deg=1.04) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl -112:sc= -1.01 (180deg=-3.39!) USER MOD Single : A 156 LYS NZ :NH3+ -169:sc=-0.00679 (180deg=-0.145) USER MOD Single : A 160 TYR OH : rot -166:sc= 1.28 USER MOD Single : A 163 LYS NZ :NH3+ 177:sc= -0.0269 (180deg=-0.0511) USER MOD Single : A 166 LYS NZ :NH3+ -160:sc= -0.0566 (180deg=-0.335) USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot -37:sc= 0.175 USER MOD Single : A 183 MET CE :methyl -172:sc= -1.71 (180deg=-2.07) USER MOD ----------------------------------------------------------------- ATOM 49 N ASP A 75 20.641 0.293 -1.250 1.00 0.79 N ATOM 50 CA ASP A 75 19.868 -0.782 -1.874 1.00 0.78 C ATOM 51 C ASP A 75 18.395 -0.704 -1.485 1.00 0.67 C ATOM 52 O ASP A 75 17.599 -1.560 -1.840 1.00 0.92 O ATOM 53 CB ASP A 75 20.433 -2.147 -1.453 1.00 0.92 C ATOM 54 CG ASP A 75 21.849 -2.380 -1.937 1.00 1.37 C ATOM 55 OD1 ASP A 75 22.802 -2.012 -1.216 1.00 2.01 O ATOM 56 OD2 ASP A 75 22.023 -2.941 -3.038 1.00 1.86 O ATOM 0 HA ASP A 75 19.947 -0.665 -2.955 1.00 0.78 H new ATOM 0 HB2 ASP A 75 20.410 -2.223 -0.366 1.00 0.92 H new ATOM 0 HB3 ASP A 75 19.788 -2.936 -1.841 1.00 0.92 H new ATOM 61 N GLN A 76 18.035 0.331 -0.757 1.00 0.59 N ATOM 62 CA GLN A 76 16.700 0.433 -0.176 1.00 0.77 C ATOM 63 C GLN A 76 15.714 1.220 -1.054 1.00 0.69 C ATOM 64 O GLN A 76 14.680 1.657 -0.567 1.00 0.94 O ATOM 65 CB GLN A 76 16.788 1.022 1.239 1.00 1.07 C ATOM 66 CG GLN A 76 17.721 2.218 1.351 1.00 1.21 C ATOM 67 CD GLN A 76 17.977 2.636 2.787 1.00 1.75 C ATOM 68 OE1 GLN A 76 18.901 2.142 3.433 1.00 2.30 O ATOM 69 NE2 GLN A 76 17.178 3.563 3.291 1.00 2.36 N ATOM 0 H GLN A 76 18.646 1.121 -0.549 1.00 0.59 H new ATOM 0 HA GLN A 76 16.296 -0.578 -0.118 1.00 0.77 H new ATOM 0 HB2 GLN A 76 15.790 1.320 1.561 1.00 1.07 H new ATOM 0 HB3 GLN A 76 17.125 0.245 1.925 1.00 1.07 H new ATOM 0 HG2 GLN A 76 18.671 1.977 0.873 1.00 1.21 H new ATOM 0 HG3 GLN A 76 17.293 3.058 0.804 1.00 1.21 H new ATOM 0 HE21 GLN A 76 16.423 3.948 2.724 1.00 2.36 H new ATOM 0 HE22 GLN A 76 17.317 3.892 4.246 1.00 2.36 H new ATOM 78 N SER A 77 16.039 1.435 -2.326 1.00 0.51 N ATOM 79 CA SER A 77 15.225 2.316 -3.172 1.00 0.56 C ATOM 80 C SER A 77 14.213 1.605 -4.095 1.00 0.43 C ATOM 81 O SER A 77 13.215 2.213 -4.476 1.00 0.54 O ATOM 82 CB SER A 77 16.130 3.196 -4.028 1.00 0.80 C ATOM 83 OG SER A 77 16.847 4.117 -3.230 1.00 1.52 O ATOM 0 H SER A 77 16.846 1.021 -2.792 1.00 0.51 H new ATOM 0 HA SER A 77 14.631 2.900 -2.469 1.00 0.56 H new ATOM 0 HB2 SER A 77 16.829 2.572 -4.585 1.00 0.80 H new ATOM 0 HB3 SER A 77 15.530 3.735 -4.761 1.00 0.80 H new ATOM 0 HG SER A 77 17.421 4.668 -3.802 1.00 1.52 H new ATOM 89 N ASP A 78 14.435 0.345 -4.459 1.00 0.35 N ATOM 90 CA ASP A 78 13.670 -0.246 -5.574 1.00 0.38 C ATOM 91 C ASP A 78 12.568 -1.211 -5.146 1.00 0.33 C ATOM 92 O ASP A 78 12.377 -2.254 -5.772 1.00 0.42 O ATOM 93 CB ASP A 78 14.585 -0.917 -6.607 1.00 0.51 C ATOM 94 CG ASP A 78 14.830 -0.025 -7.808 1.00 0.94 C ATOM 95 OD1 ASP A 78 15.734 0.834 -7.749 1.00 1.66 O ATOM 96 OD2 ASP A 78 14.115 -0.174 -8.819 1.00 1.66 O ATOM 0 H ASP A 78 15.114 -0.277 -4.020 1.00 0.35 H new ATOM 0 HA ASP A 78 13.170 0.606 -6.036 1.00 0.38 H new ATOM 0 HB2 ASP A 78 15.538 -1.167 -6.140 1.00 0.51 H new ATOM 0 HB3 ASP A 78 14.135 -1.854 -6.936 1.00 0.51 H new ATOM 101 N LEU A 79 11.862 -0.887 -4.078 1.00 0.26 N ATOM 102 CA LEU A 79 10.674 -1.652 -3.702 1.00 0.26 C ATOM 103 C LEU A 79 9.428 -0.945 -4.221 1.00 0.30 C ATOM 104 O LEU A 79 9.090 0.145 -3.765 1.00 0.51 O ATOM 105 CB LEU A 79 10.582 -1.834 -2.179 1.00 0.28 C ATOM 106 CG LEU A 79 11.491 -2.911 -1.570 1.00 0.28 C ATOM 107 CD1 LEU A 79 11.213 -4.268 -2.194 1.00 0.29 C ATOM 108 CD2 LEU A 79 12.960 -2.542 -1.725 1.00 0.30 C ATOM 0 H LEU A 79 12.083 -0.108 -3.457 1.00 0.26 H new ATOM 0 HA LEU A 79 10.748 -2.643 -4.151 1.00 0.26 H new ATOM 0 HB2 LEU A 79 10.815 -0.881 -1.705 1.00 0.28 H new ATOM 0 HB3 LEU A 79 9.549 -2.073 -1.924 1.00 0.28 H new ATOM 0 HG LEU A 79 11.269 -2.970 -0.505 1.00 0.28 H new ATOM 0 HD11 LEU A 79 11.869 -5.015 -1.747 1.00 0.29 H new ATOM 0 HD12 LEU A 79 10.174 -4.544 -2.016 1.00 0.29 H new ATOM 0 HD13 LEU A 79 11.397 -4.219 -3.267 1.00 0.29 H new ATOM 0 HD21 LEU A 79 13.580 -3.323 -1.285 1.00 0.30 H new ATOM 0 HD22 LEU A 79 13.200 -2.442 -2.783 1.00 0.30 H new ATOM 0 HD23 LEU A 79 13.153 -1.597 -1.218 1.00 0.30 H new ATOM 120 N HIS A 80 8.747 -1.552 -5.183 1.00 0.21 N ATOM 121 CA HIS A 80 7.612 -0.895 -5.815 1.00 0.25 C ATOM 122 C HIS A 80 6.377 -1.786 -5.801 1.00 0.22 C ATOM 123 O HIS A 80 6.461 -2.977 -6.071 1.00 0.23 O ATOM 124 CB HIS A 80 7.958 -0.509 -7.254 1.00 0.33 C ATOM 125 CG HIS A 80 6.939 0.383 -7.895 1.00 1.03 C ATOM 126 ND1 HIS A 80 6.000 -0.067 -8.798 1.00 1.94 N ATOM 127 CD2 HIS A 80 6.712 1.708 -7.750 1.00 1.86 C ATOM 128 CE1 HIS A 80 5.240 0.945 -9.179 1.00 2.58 C ATOM 129 NE2 HIS A 80 5.651 2.033 -8.556 1.00 2.50 N ATOM 0 H HIS A 80 8.956 -2.485 -5.539 1.00 0.21 H new ATOM 0 HA HIS A 80 7.388 0.006 -5.243 1.00 0.25 H new ATOM 0 HB2 HIS A 80 8.926 -0.008 -7.265 1.00 0.33 H new ATOM 0 HB3 HIS A 80 8.062 -1.416 -7.850 1.00 0.33 H new ATOM 0 HD2 HIS A 80 7.265 2.386 -7.116 1.00 1.86 H new ATOM 0 HE1 HIS A 80 4.421 0.891 -9.881 1.00 2.58 H new ATOM 0 HE2 HIS A 80 5.246 2.964 -8.657 1.00 2.50 H new ATOM 138 N ILE A 81 5.238 -1.187 -5.484 1.00 0.23 N ATOM 139 CA ILE A 81 3.962 -1.892 -5.476 1.00 0.23 C ATOM 140 C ILE A 81 3.607 -2.360 -6.886 1.00 0.26 C ATOM 141 O ILE A 81 3.473 -1.548 -7.802 1.00 0.36 O ATOM 142 CB ILE A 81 2.834 -0.985 -4.932 1.00 0.24 C ATOM 143 CG1 ILE A 81 3.192 -0.470 -3.531 1.00 0.23 C ATOM 144 CG2 ILE A 81 1.510 -1.739 -4.902 1.00 0.28 C ATOM 145 CD1 ILE A 81 2.214 0.550 -2.985 1.00 0.27 C ATOM 0 H ILE A 81 5.171 -0.202 -5.226 1.00 0.23 H new ATOM 0 HA ILE A 81 4.060 -2.758 -4.822 1.00 0.23 H new ATOM 0 HB ILE A 81 2.726 -0.129 -5.598 1.00 0.24 H new ATOM 0 HG12 ILE A 81 3.241 -1.316 -2.845 1.00 0.23 H new ATOM 0 HG13 ILE A 81 4.187 -0.026 -3.561 1.00 0.23 H new ATOM 0 HG21 ILE A 81 0.728 -1.085 -4.516 1.00 0.28 H new ATOM 0 HG22 ILE A 81 1.251 -2.059 -5.911 1.00 0.28 H new ATOM 0 HG23 ILE A 81 1.603 -2.613 -4.257 1.00 0.28 H new ATOM 0 HD11 ILE A 81 2.534 0.866 -1.992 1.00 0.27 H new ATOM 0 HD12 ILE A 81 2.182 1.414 -3.648 1.00 0.27 H new ATOM 0 HD13 ILE A 81 1.221 0.104 -2.921 1.00 0.27 H new ATOM 157 N SER A 82 3.481 -3.666 -7.058 1.00 0.25 N ATOM 158 CA SER A 82 3.191 -4.241 -8.366 1.00 0.29 C ATOM 159 C SER A 82 1.814 -4.908 -8.392 1.00 0.33 C ATOM 160 O SER A 82 1.178 -4.995 -9.446 1.00 0.43 O ATOM 161 CB SER A 82 4.280 -5.247 -8.744 1.00 0.32 C ATOM 162 OG SER A 82 5.555 -4.628 -8.743 1.00 1.10 O ATOM 0 H SER A 82 3.575 -4.351 -6.308 1.00 0.25 H new ATOM 0 HA SER A 82 3.178 -3.433 -9.098 1.00 0.29 H new ATOM 0 HB2 SER A 82 4.274 -6.079 -8.040 1.00 0.32 H new ATOM 0 HB3 SER A 82 4.072 -5.662 -9.730 1.00 0.32 H new ATOM 0 HG SER A 82 6.134 -5.070 -9.398 1.00 1.10 H new ATOM 168 N ASP A 83 1.349 -5.365 -7.236 1.00 0.33 N ATOM 169 CA ASP A 83 0.033 -5.993 -7.129 1.00 0.38 C ATOM 170 C ASP A 83 -0.584 -5.618 -5.792 1.00 0.30 C ATOM 171 O ASP A 83 0.075 -4.992 -4.965 1.00 0.27 O ATOM 172 CB ASP A 83 0.130 -7.522 -7.279 1.00 0.46 C ATOM 173 CG ASP A 83 -1.234 -8.196 -7.347 1.00 1.27 C ATOM 174 OD1 ASP A 83 -2.198 -7.556 -7.816 1.00 2.07 O ATOM 175 OD2 ASP A 83 -1.347 -9.370 -6.935 1.00 1.90 O ATOM 0 H ASP A 83 1.863 -5.314 -6.356 1.00 0.33 H new ATOM 0 HA ASP A 83 -0.602 -5.632 -7.938 1.00 0.38 H new ATOM 0 HB2 ASP A 83 0.693 -7.759 -8.182 1.00 0.46 H new ATOM 0 HB3 ASP A 83 0.690 -7.930 -6.438 1.00 0.46 H new ATOM 180 N GLN A 84 -1.837 -5.982 -5.580 1.00 0.31 N ATOM 181 CA GLN A 84 -2.539 -5.589 -4.373 1.00 0.35 C ATOM 182 C GLN A 84 -3.782 -6.442 -4.152 1.00 0.34 C ATOM 183 O GLN A 84 -3.930 -7.503 -4.758 1.00 0.39 O ATOM 184 CB GLN A 84 -2.939 -4.117 -4.461 1.00 0.49 C ATOM 185 CG GLN A 84 -3.952 -3.841 -5.559 1.00 0.64 C ATOM 186 CD GLN A 84 -4.543 -2.460 -5.458 1.00 1.32 C ATOM 187 OE1 GLN A 84 -4.630 -1.892 -4.371 1.00 2.14 O ATOM 188 NE2 GLN A 84 -4.960 -1.912 -6.581 1.00 1.98 N ATOM 0 H GLN A 84 -2.387 -6.548 -6.227 1.00 0.31 H new ATOM 0 HA GLN A 84 -1.866 -5.739 -3.529 1.00 0.35 H new ATOM 0 HB2 GLN A 84 -3.354 -3.801 -3.504 1.00 0.49 H new ATOM 0 HB3 GLN A 84 -2.048 -3.514 -4.637 1.00 0.49 H new ATOM 0 HG2 GLN A 84 -3.472 -3.958 -6.531 1.00 0.64 H new ATOM 0 HG3 GLN A 84 -4.751 -4.580 -5.507 1.00 0.64 H new ATOM 0 HE21 GLN A 84 -4.868 -2.420 -7.461 1.00 1.98 H new ATOM 0 HE22 GLN A 84 -5.375 -0.980 -6.571 1.00 1.98 H new ATOM 197 N THR A 85 -4.643 -5.960 -3.260 1.00 0.34 N ATOM 198 CA THR A 85 -5.922 -6.577 -2.934 1.00 0.39 C ATOM 199 C THR A 85 -6.630 -7.177 -4.153 1.00 0.50 C ATOM 200 O THR A 85 -6.650 -6.588 -5.239 1.00 0.54 O ATOM 201 CB THR A 85 -6.841 -5.524 -2.295 1.00 0.32 C ATOM 202 OG1 THR A 85 -6.137 -4.835 -1.253 1.00 0.43 O ATOM 203 CG2 THR A 85 -8.097 -6.159 -1.727 1.00 0.42 C ATOM 0 H THR A 85 -4.464 -5.107 -2.731 1.00 0.34 H new ATOM 0 HA THR A 85 -5.714 -7.396 -2.245 1.00 0.39 H new ATOM 0 HB THR A 85 -7.137 -4.818 -3.071 1.00 0.32 H new ATOM 0 HG1 THR A 85 -6.478 -3.919 -1.178 1.00 0.43 H new ATOM 0 HG21 THR A 85 -8.726 -5.387 -1.282 1.00 0.42 H new ATOM 0 HG22 THR A 85 -8.645 -6.658 -2.526 1.00 0.42 H new ATOM 0 HG23 THR A 85 -7.823 -6.888 -0.964 1.00 0.42 H new ATOM 211 N ASP A 86 -7.223 -8.348 -3.950 1.00 0.69 N ATOM 212 CA ASP A 86 -7.936 -9.054 -5.007 1.00 0.89 C ATOM 213 C ASP A 86 -9.327 -8.451 -5.205 1.00 0.83 C ATOM 214 O ASP A 86 -10.349 -9.094 -4.963 1.00 1.12 O ATOM 215 CB ASP A 86 -8.036 -10.546 -4.666 1.00 1.20 C ATOM 216 CG ASP A 86 -8.565 -11.378 -5.817 1.00 1.67 C ATOM 217 OD1 ASP A 86 -9.643 -11.992 -5.670 1.00 2.32 O ATOM 218 OD2 ASP A 86 -7.901 -11.428 -6.875 1.00 2.23 O ATOM 0 H ASP A 86 -7.223 -8.832 -3.052 1.00 0.69 H new ATOM 0 HA ASP A 86 -7.382 -8.947 -5.940 1.00 0.89 H new ATOM 0 HB2 ASP A 86 -7.051 -10.915 -4.379 1.00 1.20 H new ATOM 0 HB3 ASP A 86 -8.688 -10.674 -3.802 1.00 1.20 H new ATOM 223 N THR A 87 -9.343 -7.195 -5.616 1.00 0.72 N ATOM 224 CA THR A 87 -10.577 -6.473 -5.884 1.00 0.74 C ATOM 225 C THR A 87 -10.545 -5.888 -7.290 1.00 0.81 C ATOM 226 O THR A 87 -11.421 -6.179 -8.106 1.00 1.42 O ATOM 227 CB THR A 87 -10.779 -5.337 -4.863 1.00 1.14 C ATOM 228 OG1 THR A 87 -9.536 -4.651 -4.652 1.00 1.36 O ATOM 229 CG2 THR A 87 -11.306 -5.874 -3.539 1.00 1.87 C ATOM 0 H THR A 87 -8.499 -6.645 -5.774 1.00 0.72 H new ATOM 0 HA THR A 87 -11.406 -7.175 -5.798 1.00 0.74 H new ATOM 0 HB THR A 87 -11.517 -4.643 -5.264 1.00 1.14 H new ATOM 0 HG1 THR A 87 -9.363 -4.575 -3.690 1.00 1.36 H new ATOM 0 HG21 THR A 87 -11.438 -5.049 -2.839 1.00 1.87 H new ATOM 0 HG22 THR A 87 -12.263 -6.369 -3.702 1.00 1.87 H new ATOM 0 HG23 THR A 87 -10.594 -6.589 -3.127 1.00 1.87 H new ATOM 280 N VAL A 91 -15.760 -3.656 -5.487 1.00 0.65 N ATOM 281 CA VAL A 91 -16.296 -4.958 -5.122 1.00 0.77 C ATOM 282 C VAL A 91 -16.950 -4.865 -3.751 1.00 0.55 C ATOM 283 O VAL A 91 -16.531 -4.052 -2.928 1.00 0.46 O ATOM 284 CB VAL A 91 -15.172 -6.021 -5.076 1.00 1.02 C ATOM 285 CG1 VAL A 91 -15.723 -7.396 -4.737 1.00 1.43 C ATOM 286 CG2 VAL A 91 -14.417 -6.064 -6.395 1.00 1.51 C ATOM 0 HA VAL A 91 -17.029 -5.255 -5.872 1.00 0.77 H new ATOM 0 HB VAL A 91 -14.478 -5.732 -4.286 1.00 1.02 H new ATOM 0 HG11 VAL A 91 -14.908 -8.119 -4.713 1.00 1.43 H new ATOM 0 HG12 VAL A 91 -16.208 -7.363 -3.761 1.00 1.43 H new ATOM 0 HG13 VAL A 91 -16.449 -7.694 -5.493 1.00 1.43 H new ATOM 0 HG21 VAL A 91 -13.632 -6.818 -6.340 1.00 1.51 H new ATOM 0 HG22 VAL A 91 -15.106 -6.316 -7.201 1.00 1.51 H new ATOM 0 HG23 VAL A 91 -13.971 -5.089 -6.591 1.00 1.51 H new ATOM 296 N CYS A 92 -17.971 -5.668 -3.494 1.00 0.79 N ATOM 297 CA CYS A 92 -18.509 -5.734 -2.153 1.00 0.64 C ATOM 298 C CYS A 92 -17.847 -6.883 -1.415 1.00 0.62 C ATOM 299 O CYS A 92 -17.994 -8.051 -1.788 1.00 1.20 O ATOM 300 CB CYS A 92 -20.030 -5.920 -2.194 1.00 1.10 C ATOM 301 SG CYS A 92 -20.585 -7.330 -3.180 1.00 1.91 S ATOM 0 H CYS A 92 -18.431 -6.267 -4.179 1.00 0.79 H new ATOM 0 HA CYS A 92 -18.303 -4.801 -1.629 1.00 0.64 H new ATOM 0 HB2 CYS A 92 -20.397 -6.039 -1.174 1.00 1.10 H new ATOM 0 HB3 CYS A 92 -20.484 -5.013 -2.592 1.00 1.10 H new ATOM 0 HG CYS A 92 -19.738 -8.308 -3.054 1.00 1.91 H new ATOM 307 N SER A 93 -17.110 -6.552 -0.369 1.00 0.69 N ATOM 308 CA SER A 93 -16.358 -7.553 0.354 1.00 1.02 C ATOM 309 C SER A 93 -16.074 -7.110 1.784 1.00 0.58 C ATOM 310 O SER A 93 -15.723 -5.954 2.017 1.00 0.73 O ATOM 311 CB SER A 93 -15.041 -7.826 -0.379 1.00 1.83 C ATOM 312 OG SER A 93 -14.439 -9.031 0.063 1.00 2.58 O ATOM 0 H SER A 93 -17.019 -5.603 -0.006 1.00 0.69 H new ATOM 0 HA SER A 93 -16.954 -8.465 0.399 1.00 1.02 H new ATOM 0 HB2 SER A 93 -15.226 -7.883 -1.452 1.00 1.83 H new ATOM 0 HB3 SER A 93 -14.355 -6.995 -0.217 1.00 1.83 H new ATOM 0 HG SER A 93 -14.810 -9.282 0.935 1.00 2.58 H new ATOM 318 N PRO A 94 -16.251 -8.003 2.763 1.00 0.78 N ATOM 319 CA PRO A 94 -15.599 -7.871 4.050 1.00 0.67 C ATOM 320 C PRO A 94 -14.259 -8.594 3.983 1.00 0.53 C ATOM 321 O PRO A 94 -14.213 -9.826 3.988 1.00 0.59 O ATOM 322 CB PRO A 94 -16.556 -8.585 5.015 1.00 0.93 C ATOM 323 CG PRO A 94 -17.586 -9.274 4.159 1.00 1.39 C ATOM 324 CD PRO A 94 -17.116 -9.178 2.728 1.00 1.43 C ATOM 0 HA PRO A 94 -15.405 -6.842 4.353 1.00 0.67 H new ATOM 0 HB2 PRO A 94 -16.019 -9.305 5.632 1.00 0.93 H new ATOM 0 HB3 PRO A 94 -17.027 -7.873 5.693 1.00 0.93 H new ATOM 0 HG2 PRO A 94 -17.699 -10.316 4.457 1.00 1.39 H new ATOM 0 HG3 PRO A 94 -18.561 -8.802 4.276 1.00 1.39 H new ATOM 0 HD2 PRO A 94 -16.575 -10.072 2.417 1.00 1.43 H new ATOM 0 HD3 PRO A 94 -17.947 -9.051 2.035 1.00 1.43 H new ATOM 332 N PHE A 95 -13.167 -7.849 3.922 1.00 0.43 N ATOM 333 CA PHE A 95 -11.900 -8.444 3.532 1.00 0.40 C ATOM 334 C PHE A 95 -10.716 -7.632 4.046 1.00 0.33 C ATOM 335 O PHE A 95 -10.826 -6.422 4.264 1.00 0.32 O ATOM 336 CB PHE A 95 -11.875 -8.526 1.996 1.00 0.46 C ATOM 337 CG PHE A 95 -10.788 -9.384 1.410 1.00 0.50 C ATOM 338 CD1 PHE A 95 -10.706 -10.735 1.711 1.00 1.26 C ATOM 339 CD2 PHE A 95 -9.861 -8.840 0.534 1.00 1.35 C ATOM 340 CE1 PHE A 95 -9.719 -11.523 1.153 1.00 1.33 C ATOM 341 CE2 PHE A 95 -8.872 -9.625 -0.024 1.00 1.36 C ATOM 342 CZ PHE A 95 -8.801 -10.968 0.286 1.00 0.68 C ATOM 0 H PHE A 95 -13.131 -6.852 4.133 1.00 0.43 H new ATOM 0 HA PHE A 95 -11.811 -9.438 3.971 1.00 0.40 H new ATOM 0 HB2 PHE A 95 -12.838 -8.906 1.654 1.00 0.46 H new ATOM 0 HB3 PHE A 95 -11.771 -7.517 1.598 1.00 0.46 H new ATOM 0 HD1 PHE A 95 -11.422 -11.176 2.389 1.00 1.26 H new ATOM 0 HD2 PHE A 95 -9.913 -7.790 0.285 1.00 1.35 H new ATOM 0 HE1 PHE A 95 -9.666 -12.574 1.395 1.00 1.33 H new ATOM 0 HE2 PHE A 95 -8.154 -9.188 -0.703 1.00 1.36 H new ATOM 0 HZ PHE A 95 -8.028 -11.583 -0.150 1.00 0.68 H new ATOM 352 N ALA A 96 -9.598 -8.315 4.267 1.00 0.37 N ATOM 353 CA ALA A 96 -8.354 -7.657 4.628 1.00 0.38 C ATOM 354 C ALA A 96 -7.595 -7.290 3.366 1.00 0.35 C ATOM 355 O ALA A 96 -7.469 -8.102 2.447 1.00 0.51 O ATOM 356 CB ALA A 96 -7.506 -8.552 5.517 1.00 0.49 C ATOM 0 H ALA A 96 -9.531 -9.331 4.201 1.00 0.37 H new ATOM 0 HA ALA A 96 -8.583 -6.751 5.189 1.00 0.38 H new ATOM 0 HB1 ALA A 96 -6.580 -8.037 5.774 1.00 0.49 H new ATOM 0 HB2 ALA A 96 -8.056 -8.786 6.429 1.00 0.49 H new ATOM 0 HB3 ALA A 96 -7.273 -9.476 4.987 1.00 0.49 H new ATOM 362 N LEU A 97 -7.077 -6.080 3.333 1.00 0.24 N ATOM 363 CA LEU A 97 -6.496 -5.533 2.122 1.00 0.22 C ATOM 364 C LEU A 97 -4.992 -5.736 2.136 1.00 0.22 C ATOM 365 O LEU A 97 -4.398 -5.870 3.200 1.00 0.24 O ATOM 366 CB LEU A 97 -6.837 -4.045 2.011 1.00 0.23 C ATOM 367 CG LEU A 97 -8.316 -3.704 2.225 1.00 0.46 C ATOM 368 CD1 LEU A 97 -8.553 -2.218 2.045 1.00 1.40 C ATOM 369 CD2 LEU A 97 -9.198 -4.501 1.278 1.00 1.07 C ATOM 0 H LEU A 97 -7.046 -5.452 4.136 1.00 0.24 H new ATOM 0 HA LEU A 97 -6.908 -6.051 1.256 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -6.243 -3.496 2.742 1.00 0.23 H new ATOM 0 HB3 LEU A 97 -6.537 -3.691 1.025 1.00 0.23 H new ATOM 0 HG LEU A 97 -8.581 -3.975 3.247 1.00 0.46 H new ATOM 0 HD11 LEU A 97 -9.609 -1.996 2.201 1.00 1.40 H new ATOM 0 HD12 LEU A 97 -7.955 -1.664 2.769 1.00 1.40 H new ATOM 0 HD13 LEU A 97 -8.266 -1.923 1.036 1.00 1.40 H new ATOM 0 HD21 LEU A 97 -10.243 -4.242 1.449 1.00 1.07 H new ATOM 0 HD22 LEU A 97 -8.930 -4.267 0.248 1.00 1.07 H new ATOM 0 HD23 LEU A 97 -9.055 -5.567 1.457 1.00 1.07 H new ATOM 381 N PHE A 98 -4.374 -5.770 0.967 1.00 0.23 N ATOM 382 CA PHE A 98 -2.943 -5.990 0.891 1.00 0.23 C ATOM 383 C PHE A 98 -2.340 -5.344 -0.342 1.00 0.22 C ATOM 384 O PHE A 98 -3.041 -5.007 -1.292 1.00 0.25 O ATOM 385 CB PHE A 98 -2.622 -7.493 0.918 1.00 0.24 C ATOM 386 CG PHE A 98 -3.481 -8.327 0.005 1.00 0.26 C ATOM 387 CD1 PHE A 98 -4.645 -8.911 0.480 1.00 1.26 C ATOM 388 CD2 PHE A 98 -3.127 -8.530 -1.319 1.00 1.18 C ATOM 389 CE1 PHE A 98 -5.439 -9.679 -0.347 1.00 1.31 C ATOM 390 CE2 PHE A 98 -3.921 -9.299 -2.150 1.00 1.17 C ATOM 391 CZ PHE A 98 -5.077 -9.874 -1.663 1.00 0.40 C ATOM 0 H PHE A 98 -4.837 -5.649 0.066 1.00 0.23 H new ATOM 0 HA PHE A 98 -2.495 -5.519 1.766 1.00 0.23 H new ATOM 0 HB2 PHE A 98 -1.577 -7.634 0.643 1.00 0.24 H new ATOM 0 HB3 PHE A 98 -2.736 -7.859 1.939 1.00 0.24 H new ATOM 0 HD1 PHE A 98 -4.934 -8.763 1.510 1.00 1.26 H new ATOM 0 HD2 PHE A 98 -2.223 -8.084 -1.706 1.00 1.18 H new ATOM 0 HE1 PHE A 98 -6.344 -10.127 0.036 1.00 1.31 H new ATOM 0 HE2 PHE A 98 -3.636 -9.450 -3.181 1.00 1.17 H new ATOM 0 HZ PHE A 98 -5.697 -10.476 -2.311 1.00 0.40 H new ATOM 401 N ALA A 99 -1.038 -5.143 -0.286 1.00 0.20 N ATOM 402 CA ALA A 99 -0.276 -4.647 -1.413 1.00 0.19 C ATOM 403 C ALA A 99 1.010 -5.444 -1.543 1.00 0.17 C ATOM 404 O ALA A 99 1.635 -5.796 -0.544 1.00 0.19 O ATOM 405 CB ALA A 99 0.024 -3.163 -1.262 1.00 0.21 C ATOM 0 H ALA A 99 -0.477 -5.320 0.547 1.00 0.20 H new ATOM 0 HA ALA A 99 -0.869 -4.771 -2.319 1.00 0.19 H new ATOM 0 HB1 ALA A 99 0.597 -2.818 -2.123 1.00 0.21 H new ATOM 0 HB2 ALA A 99 -0.912 -2.607 -1.203 1.00 0.21 H new ATOM 0 HB3 ALA A 99 0.602 -2.999 -0.352 1.00 0.21 H new ATOM 411 N VAL A 100 1.382 -5.751 -2.764 1.00 0.17 N ATOM 412 CA VAL A 100 2.572 -6.535 -3.023 1.00 0.18 C ATOM 413 C VAL A 100 3.641 -5.672 -3.680 1.00 0.19 C ATOM 414 O VAL A 100 3.425 -5.112 -4.757 1.00 0.22 O ATOM 415 CB VAL A 100 2.251 -7.743 -3.924 1.00 0.23 C ATOM 416 CG1 VAL A 100 3.500 -8.562 -4.201 1.00 0.26 C ATOM 417 CG2 VAL A 100 1.168 -8.608 -3.292 1.00 0.25 C ATOM 0 H VAL A 100 0.874 -5.468 -3.602 1.00 0.17 H new ATOM 0 HA VAL A 100 2.946 -6.904 -2.068 1.00 0.18 H new ATOM 0 HB VAL A 100 1.878 -7.367 -4.877 1.00 0.23 H new ATOM 0 HG11 VAL A 100 3.246 -9.408 -4.839 1.00 0.26 H new ATOM 0 HG12 VAL A 100 4.240 -7.939 -4.703 1.00 0.26 H new ATOM 0 HG13 VAL A 100 3.912 -8.927 -3.260 1.00 0.26 H new ATOM 0 HG21 VAL A 100 0.954 -9.456 -3.942 1.00 0.25 H new ATOM 0 HG22 VAL A 100 1.511 -8.971 -2.323 1.00 0.25 H new ATOM 0 HG23 VAL A 100 0.262 -8.017 -3.158 1.00 0.25 H new ATOM 427 N LEU A 101 4.785 -5.564 -3.025 1.00 0.19 N ATOM 428 CA LEU A 101 5.883 -4.761 -3.530 1.00 0.19 C ATOM 429 C LEU A 101 6.960 -5.658 -4.107 1.00 0.21 C ATOM 430 O LEU A 101 7.470 -6.554 -3.432 1.00 0.23 O ATOM 431 CB LEU A 101 6.487 -3.864 -2.439 1.00 0.19 C ATOM 432 CG LEU A 101 5.580 -2.743 -1.925 1.00 0.22 C ATOM 433 CD1 LEU A 101 4.579 -3.275 -0.913 1.00 0.30 C ATOM 434 CD2 LEU A 101 6.413 -1.620 -1.323 1.00 0.21 C ATOM 0 H LEU A 101 4.977 -6.026 -2.136 1.00 0.19 H new ATOM 0 HA LEU A 101 5.483 -4.114 -4.311 1.00 0.19 H new ATOM 0 HB2 LEU A 101 6.772 -4.492 -1.595 1.00 0.19 H new ATOM 0 HB3 LEU A 101 7.402 -3.417 -2.827 1.00 0.19 H new ATOM 0 HG LEU A 101 5.020 -2.342 -2.770 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.947 -2.459 -0.563 1.00 0.30 H new ATOM 0 HD12 LEU A 101 3.959 -4.039 -1.382 1.00 0.30 H new ATOM 0 HD13 LEU A 101 5.112 -3.709 -0.067 1.00 0.30 H new ATOM 0 HD21 LEU A 101 5.753 -0.831 -0.962 1.00 0.21 H new ATOM 0 HD22 LEU A 101 7.002 -2.009 -0.492 1.00 0.21 H new ATOM 0 HD23 LEU A 101 7.081 -1.215 -2.083 1.00 0.21 H new ATOM 446 N GLU A 102 7.295 -5.418 -5.354 1.00 0.24 N ATOM 447 CA GLU A 102 8.293 -6.206 -6.036 1.00 0.29 C ATOM 448 C GLU A 102 9.638 -5.500 -5.975 1.00 0.28 C ATOM 449 O GLU A 102 9.715 -4.277 -6.112 1.00 0.26 O ATOM 450 CB GLU A 102 7.871 -6.442 -7.487 1.00 0.34 C ATOM 451 CG GLU A 102 8.788 -7.380 -8.251 1.00 0.41 C ATOM 452 CD GLU A 102 8.319 -7.627 -9.668 1.00 0.53 C ATOM 453 OE1 GLU A 102 7.357 -8.402 -9.858 1.00 1.32 O ATOM 454 OE2 GLU A 102 8.920 -7.061 -10.603 1.00 0.95 O ATOM 0 H GLU A 102 6.885 -4.675 -5.921 1.00 0.24 H new ATOM 0 HA GLU A 102 8.387 -7.174 -5.543 1.00 0.29 H new ATOM 0 HB2 GLU A 102 6.860 -6.849 -7.499 1.00 0.34 H new ATOM 0 HB3 GLU A 102 7.835 -5.484 -8.005 1.00 0.34 H new ATOM 0 HG2 GLU A 102 9.794 -6.960 -8.273 1.00 0.41 H new ATOM 0 HG3 GLU A 102 8.851 -8.331 -7.722 1.00 0.41 H new ATOM 461 N ASN A 103 10.687 -6.266 -5.731 1.00 0.38 N ATOM 462 CA ASN A 103 12.030 -5.717 -5.688 1.00 0.44 C ATOM 463 C ASN A 103 12.608 -5.647 -7.091 1.00 0.37 C ATOM 464 O ASN A 103 12.829 -6.677 -7.731 1.00 0.51 O ATOM 465 CB ASN A 103 12.933 -6.566 -4.798 1.00 0.68 C ATOM 466 CG ASN A 103 14.255 -5.887 -4.549 1.00 0.87 C ATOM 467 OD1 ASN A 103 15.216 -6.070 -5.295 1.00 1.76 O ATOM 468 ND2 ASN A 103 14.304 -5.083 -3.503 1.00 1.64 N ATOM 0 H ASN A 103 10.634 -7.270 -5.560 1.00 0.38 H new ATOM 0 HA ASN A 103 11.977 -4.712 -5.270 1.00 0.44 H new ATOM 0 HB2 ASN A 103 12.435 -6.756 -3.847 1.00 0.68 H new ATOM 0 HB3 ASN A 103 13.103 -7.535 -5.268 1.00 0.68 H new ATOM 0 HD21 ASN A 103 15.165 -4.582 -3.285 1.00 1.64 H new ATOM 0 HD22 ASN A 103 13.481 -4.963 -2.913 1.00 1.64 H new ATOM 475 N THR A 104 12.843 -4.440 -7.576 1.00 0.34 N ATOM 476 CA THR A 104 13.316 -4.259 -8.934 1.00 0.38 C ATOM 477 C THR A 104 14.792 -3.859 -8.996 1.00 0.50 C ATOM 478 O THR A 104 15.157 -2.881 -9.649 1.00 0.70 O ATOM 479 CB THR A 104 12.450 -3.228 -9.679 1.00 0.55 C ATOM 480 OG1 THR A 104 12.259 -2.060 -8.868 1.00 0.77 O ATOM 481 CG2 THR A 104 11.101 -3.833 -10.030 1.00 0.73 C ATOM 0 H THR A 104 12.714 -3.575 -7.051 1.00 0.34 H new ATOM 0 HA THR A 104 13.226 -5.226 -9.428 1.00 0.38 H new ATOM 0 HB THR A 104 12.964 -2.943 -10.597 1.00 0.55 H new ATOM 0 HG1 THR A 104 12.909 -1.373 -9.125 1.00 0.77 H new ATOM 0 HG21 THR A 104 10.497 -3.094 -10.557 1.00 0.73 H new ATOM 0 HG22 THR A 104 11.248 -4.704 -10.669 1.00 0.73 H new ATOM 0 HG23 THR A 104 10.589 -4.135 -9.116 1.00 0.73 H new ATOM 489 N GLY A 105 15.637 -4.618 -8.312 1.00 0.52 N ATOM 490 CA GLY A 105 17.069 -4.460 -8.487 1.00 0.72 C ATOM 491 C GLY A 105 17.805 -4.088 -7.220 1.00 0.66 C ATOM 492 O GLY A 105 18.889 -4.607 -6.959 1.00 0.80 O ATOM 0 H GLY A 105 15.360 -5.336 -7.643 1.00 0.52 H new ATOM 0 HA2 GLY A 105 17.482 -5.391 -8.875 1.00 0.72 H new ATOM 0 HA3 GLY A 105 17.250 -3.692 -9.239 1.00 0.72 H new ATOM 496 N GLU A 106 17.231 -3.203 -6.429 1.00 0.60 N ATOM 497 CA GLU A 106 17.849 -2.812 -5.174 1.00 0.56 C ATOM 498 C GLU A 106 17.214 -3.604 -4.049 1.00 0.65 C ATOM 499 O GLU A 106 16.176 -3.213 -3.513 1.00 1.05 O ATOM 500 CB GLU A 106 17.687 -1.310 -4.919 1.00 0.68 C ATOM 501 CG GLU A 106 18.157 -0.432 -6.068 1.00 1.25 C ATOM 502 CD GLU A 106 19.664 -0.391 -6.217 1.00 1.91 C ATOM 503 OE1 GLU A 106 20.268 -1.433 -6.536 1.00 2.54 O ATOM 504 OE2 GLU A 106 20.248 0.698 -6.049 1.00 2.47 O ATOM 0 H GLU A 106 16.343 -2.743 -6.630 1.00 0.60 H new ATOM 0 HA GLU A 106 18.917 -3.024 -5.224 1.00 0.56 H new ATOM 0 HB2 GLU A 106 16.637 -1.097 -4.719 1.00 0.68 H new ATOM 0 HB3 GLU A 106 18.243 -1.043 -4.020 1.00 0.68 H new ATOM 0 HG2 GLU A 106 17.717 -0.796 -6.997 1.00 1.25 H new ATOM 0 HG3 GLU A 106 17.787 0.582 -5.916 1.00 1.25 H new ATOM 511 N LYS A 107 17.820 -4.737 -3.730 1.00 0.61 N ATOM 512 CA LYS A 107 17.290 -5.644 -2.720 1.00 0.69 C ATOM 513 C LYS A 107 17.222 -4.977 -1.355 1.00 0.66 C ATOM 514 O LYS A 107 18.146 -4.276 -0.948 1.00 0.76 O ATOM 515 CB LYS A 107 18.151 -6.901 -2.651 1.00 0.86 C ATOM 516 CG LYS A 107 18.062 -7.756 -3.904 1.00 1.37 C ATOM 517 CD LYS A 107 19.089 -8.870 -3.886 1.00 1.80 C ATOM 518 CE LYS A 107 19.009 -9.717 -5.146 1.00 2.66 C ATOM 519 NZ LYS A 107 20.072 -10.756 -5.188 1.00 3.32 N ATOM 0 H LYS A 107 18.689 -5.054 -4.160 1.00 0.61 H new ATOM 0 HA LYS A 107 16.274 -5.916 -3.007 1.00 0.69 H new ATOM 0 HB2 LYS A 107 19.190 -6.614 -2.488 1.00 0.86 H new ATOM 0 HB3 LYS A 107 17.846 -7.496 -1.790 1.00 0.86 H new ATOM 0 HG2 LYS A 107 17.062 -8.182 -3.986 1.00 1.37 H new ATOM 0 HG3 LYS A 107 18.215 -7.132 -4.784 1.00 1.37 H new ATOM 0 HD2 LYS A 107 20.088 -8.444 -3.794 1.00 1.80 H new ATOM 0 HD3 LYS A 107 18.929 -9.500 -3.011 1.00 1.80 H new ATOM 0 HE2 LYS A 107 18.031 -10.196 -5.199 1.00 2.66 H new ATOM 0 HE3 LYS A 107 19.096 -9.074 -6.021 1.00 2.66 H new ATOM 0 HZ1 LYS A 107 19.981 -11.311 -6.063 1.00 3.32 H new ATOM 0 HZ2 LYS A 107 21.006 -10.299 -5.164 1.00 3.32 H new ATOM 0 HZ3 LYS A 107 19.974 -11.387 -4.367 1.00 3.32 H new ATOM 533 N LEU A 108 16.114 -5.204 -0.656 1.00 0.59 N ATOM 534 CA LEU A 108 15.912 -4.624 0.666 1.00 0.57 C ATOM 535 C LEU A 108 16.931 -5.219 1.628 1.00 0.63 C ATOM 536 O LEU A 108 16.755 -6.322 2.146 1.00 0.74 O ATOM 537 CB LEU A 108 14.471 -4.882 1.150 1.00 0.60 C ATOM 538 CG LEU A 108 13.979 -4.047 2.351 1.00 0.58 C ATOM 539 CD1 LEU A 108 14.586 -4.526 3.662 1.00 0.61 C ATOM 540 CD2 LEU A 108 14.281 -2.571 2.140 1.00 0.56 C ATOM 0 H LEU A 108 15.343 -5.786 -0.984 1.00 0.59 H new ATOM 0 HA LEU A 108 16.055 -3.544 0.622 1.00 0.57 H new ATOM 0 HB2 LEU A 108 13.795 -4.705 0.314 1.00 0.60 H new ATOM 0 HB3 LEU A 108 14.384 -5.937 1.412 1.00 0.60 H new ATOM 0 HG LEU A 108 12.899 -4.182 2.416 1.00 0.58 H new ATOM 0 HD11 LEU A 108 14.213 -3.911 4.481 1.00 0.61 H new ATOM 0 HD12 LEU A 108 14.308 -5.566 3.833 1.00 0.61 H new ATOM 0 HD13 LEU A 108 15.672 -4.444 3.612 1.00 0.61 H new ATOM 0 HD21 LEU A 108 13.926 -2.001 2.998 1.00 0.56 H new ATOM 0 HD22 LEU A 108 15.357 -2.432 2.032 1.00 0.56 H new ATOM 0 HD23 LEU A 108 13.777 -2.222 1.239 1.00 0.56 H new ATOM 552 N LYS A 109 18.008 -4.486 1.829 1.00 0.62 N ATOM 553 CA LYS A 109 19.101 -4.927 2.673 1.00 0.73 C ATOM 554 C LYS A 109 19.243 -4.014 3.883 1.00 0.75 C ATOM 555 O LYS A 109 19.656 -4.443 4.958 1.00 1.15 O ATOM 556 CB LYS A 109 20.389 -4.922 1.847 1.00 0.92 C ATOM 557 CG LYS A 109 21.644 -5.265 2.629 1.00 1.17 C ATOM 558 CD LYS A 109 22.879 -5.078 1.766 1.00 1.66 C ATOM 559 CE LYS A 109 24.157 -5.340 2.541 1.00 2.07 C ATOM 560 NZ LYS A 109 25.362 -5.107 1.706 1.00 2.72 N ATOM 0 H LYS A 109 18.150 -3.566 1.411 1.00 0.62 H new ATOM 0 HA LYS A 109 18.900 -5.935 3.037 1.00 0.73 H new ATOM 0 HB2 LYS A 109 20.282 -5.633 1.028 1.00 0.92 H new ATOM 0 HB3 LYS A 109 20.514 -3.936 1.399 1.00 0.92 H new ATOM 0 HG2 LYS A 109 21.712 -4.632 3.513 1.00 1.17 H new ATOM 0 HG3 LYS A 109 21.591 -6.296 2.979 1.00 1.17 H new ATOM 0 HD2 LYS A 109 22.829 -5.751 0.910 1.00 1.66 H new ATOM 0 HD3 LYS A 109 22.896 -4.062 1.372 1.00 1.66 H new ATOM 0 HE2 LYS A 109 24.191 -4.693 3.417 1.00 2.07 H new ATOM 0 HE3 LYS A 109 24.159 -6.368 2.904 1.00 2.07 H new ATOM 0 HZ1 LYS A 109 26.216 -5.296 2.269 1.00 2.72 H new ATOM 0 HZ2 LYS A 109 25.342 -5.742 0.883 1.00 2.72 H new ATOM 0 HZ3 LYS A 109 25.373 -4.119 1.381 1.00 2.72 H new ATOM 574 N LYS A 110 18.885 -2.753 3.699 1.00 0.62 N ATOM 575 CA LYS A 110 19.053 -1.753 4.740 1.00 0.73 C ATOM 576 C LYS A 110 17.762 -0.980 4.943 1.00 0.77 C ATOM 577 O LYS A 110 17.093 -0.620 3.973 1.00 1.53 O ATOM 578 CB LYS A 110 20.189 -0.801 4.363 1.00 0.93 C ATOM 579 CG LYS A 110 21.512 -1.515 4.154 1.00 1.14 C ATOM 580 CD LYS A 110 22.585 -0.588 3.623 1.00 1.46 C ATOM 581 CE LYS A 110 23.891 -1.336 3.430 1.00 1.80 C ATOM 582 NZ LYS A 110 24.955 -0.476 2.857 1.00 1.59 N ATOM 0 H LYS A 110 18.475 -2.398 2.835 1.00 0.62 H new ATOM 0 HA LYS A 110 19.305 -2.253 5.675 1.00 0.73 H new ATOM 0 HB2 LYS A 110 19.922 -0.267 3.451 1.00 0.93 H new ATOM 0 HB3 LYS A 110 20.305 -0.053 5.147 1.00 0.93 H new ATOM 0 HG2 LYS A 110 21.843 -1.947 5.098 1.00 1.14 H new ATOM 0 HG3 LYS A 110 21.371 -2.341 3.457 1.00 1.14 H new ATOM 0 HD2 LYS A 110 22.264 -0.157 2.675 1.00 1.46 H new ATOM 0 HD3 LYS A 110 22.733 0.240 4.316 1.00 1.46 H new ATOM 0 HE2 LYS A 110 24.225 -1.732 4.389 1.00 1.80 H new ATOM 0 HE3 LYS A 110 23.724 -2.190 2.773 1.00 1.80 H new ATOM 0 HZ1 LYS A 110 25.827 -1.031 2.744 1.00 1.59 H new ATOM 0 HZ2 LYS A 110 24.650 -0.118 1.929 1.00 1.59 H new ATOM 0 HZ3 LYS A 110 25.135 0.325 3.495 1.00 1.59 H new ATOM 596 N SER A 111 17.416 -0.747 6.209 1.00 0.51 N ATOM 597 CA SER A 111 16.201 -0.025 6.578 1.00 0.52 C ATOM 598 C SER A 111 14.943 -0.798 6.173 1.00 0.48 C ATOM 599 O SER A 111 15.020 -1.899 5.624 1.00 0.86 O ATOM 600 CB SER A 111 16.193 1.372 5.953 1.00 0.72 C ATOM 601 OG SER A 111 17.297 2.137 6.404 1.00 1.55 O ATOM 0 H SER A 111 17.971 -1.054 7.007 1.00 0.51 H new ATOM 0 HA SER A 111 16.195 0.076 7.663 1.00 0.52 H new ATOM 0 HB2 SER A 111 16.224 1.288 4.867 1.00 0.72 H new ATOM 0 HB3 SER A 111 15.264 1.883 6.207 1.00 0.72 H new ATOM 0 HG SER A 111 17.928 2.268 5.666 1.00 1.55 H new ATOM 607 N LYS A 112 13.787 -0.223 6.477 1.00 0.39 N ATOM 608 CA LYS A 112 12.508 -0.853 6.181 1.00 0.32 C ATOM 609 C LYS A 112 11.535 0.178 5.628 1.00 0.28 C ATOM 610 O LYS A 112 11.433 1.285 6.158 1.00 0.33 O ATOM 611 CB LYS A 112 11.923 -1.481 7.449 1.00 0.45 C ATOM 612 CG LYS A 112 12.846 -2.487 8.113 1.00 0.55 C ATOM 613 CD LYS A 112 12.216 -3.074 9.362 1.00 0.69 C ATOM 614 CE LYS A 112 13.148 -4.060 10.044 1.00 0.84 C ATOM 615 NZ LYS A 112 14.396 -3.409 10.522 1.00 1.53 N ATOM 0 H LYS A 112 13.710 0.686 6.932 1.00 0.39 H new ATOM 0 HA LYS A 112 12.668 -1.633 5.437 1.00 0.32 H new ATOM 0 HB2 LYS A 112 11.690 -0.690 8.161 1.00 0.45 H new ATOM 0 HB3 LYS A 112 10.983 -1.973 7.200 1.00 0.45 H new ATOM 0 HG2 LYS A 112 13.080 -3.287 7.411 1.00 0.55 H new ATOM 0 HG3 LYS A 112 13.788 -2.004 8.371 1.00 0.55 H new ATOM 0 HD2 LYS A 112 11.963 -2.272 10.055 1.00 0.69 H new ATOM 0 HD3 LYS A 112 11.284 -3.574 9.100 1.00 0.69 H new ATOM 0 HE2 LYS A 112 12.634 -4.521 10.887 1.00 0.84 H new ATOM 0 HE3 LYS A 112 13.400 -4.861 9.349 1.00 0.84 H new ATOM 0 HZ1 LYS A 112 14.907 -4.059 11.152 1.00 1.53 H new ATOM 0 HZ2 LYS A 112 14.998 -3.172 9.708 1.00 1.53 H new ATOM 0 HZ3 LYS A 112 14.157 -2.540 11.041 1.00 1.53 H new ATOM 629 N TRP A 113 10.833 -0.183 4.562 1.00 0.24 N ATOM 630 CA TRP A 113 9.858 0.712 3.946 1.00 0.22 C ATOM 631 C TRP A 113 8.623 0.830 4.819 1.00 0.21 C ATOM 632 O TRP A 113 8.105 -0.174 5.312 1.00 0.25 O ATOM 633 CB TRP A 113 9.465 0.212 2.552 1.00 0.22 C ATOM 634 CG TRP A 113 10.513 0.435 1.507 1.00 0.23 C ATOM 635 CD1 TRP A 113 11.810 0.013 1.540 1.00 0.24 C ATOM 636 CD2 TRP A 113 10.346 1.121 0.259 1.00 0.24 C ATOM 637 NE1 TRP A 113 12.463 0.414 0.406 1.00 0.25 N ATOM 638 CE2 TRP A 113 11.587 1.089 -0.399 1.00 0.25 C ATOM 639 CE3 TRP A 113 9.271 1.763 -0.368 1.00 0.28 C ATOM 640 CZ2 TRP A 113 11.787 1.671 -1.645 1.00 0.29 C ATOM 641 CZ3 TRP A 113 9.473 2.338 -1.609 1.00 0.32 C ATOM 642 CH2 TRP A 113 10.724 2.288 -2.235 1.00 0.32 C ATOM 0 H TRP A 113 10.920 -1.090 4.104 1.00 0.24 H new ATOM 0 HA TRP A 113 10.318 1.695 3.846 1.00 0.22 H new ATOM 0 HB2 TRP A 113 9.244 -0.854 2.609 1.00 0.22 H new ATOM 0 HB3 TRP A 113 8.547 0.712 2.244 1.00 0.22 H new ATOM 0 HD1 TRP A 113 12.256 -0.554 2.343 1.00 0.24 H new ATOM 0 HE1 TRP A 113 13.445 0.238 0.195 1.00 0.25 H new ATOM 0 HE3 TRP A 113 8.303 1.808 0.109 1.00 0.28 H new ATOM 0 HZ2 TRP A 113 12.752 1.636 -2.129 1.00 0.29 H new ATOM 0 HZ3 TRP A 113 8.651 2.834 -2.104 1.00 0.32 H new ATOM 0 HH2 TRP A 113 10.850 2.747 -3.204 1.00 0.32 H new ATOM 653 N LYS A 114 8.163 2.054 5.017 1.00 0.20 N ATOM 654 CA LYS A 114 6.986 2.300 5.827 1.00 0.24 C ATOM 655 C LYS A 114 5.759 2.429 4.940 1.00 0.20 C ATOM 656 O LYS A 114 5.803 3.089 3.898 1.00 0.24 O ATOM 657 CB LYS A 114 7.149 3.575 6.652 1.00 0.37 C ATOM 658 CG LYS A 114 6.050 3.749 7.687 1.00 0.58 C ATOM 659 CD LYS A 114 6.025 5.152 8.260 1.00 1.04 C ATOM 660 CE LYS A 114 4.849 5.331 9.205 1.00 1.08 C ATOM 661 NZ LYS A 114 4.763 6.716 9.740 1.00 1.66 N ATOM 0 H LYS A 114 8.590 2.894 4.626 1.00 0.20 H new ATOM 0 HA LYS A 114 6.861 1.456 6.505 1.00 0.24 H new ATOM 0 HB2 LYS A 114 8.116 3.556 7.155 1.00 0.37 H new ATOM 0 HB3 LYS A 114 7.153 4.437 5.984 1.00 0.37 H new ATOM 0 HG2 LYS A 114 5.085 3.526 7.232 1.00 0.58 H new ATOM 0 HG3 LYS A 114 6.195 3.031 8.494 1.00 0.58 H new ATOM 0 HD2 LYS A 114 6.956 5.349 8.791 1.00 1.04 H new ATOM 0 HD3 LYS A 114 5.960 5.879 7.450 1.00 1.04 H new ATOM 0 HE2 LYS A 114 3.924 5.088 8.682 1.00 1.08 H new ATOM 0 HE3 LYS A 114 4.941 4.629 10.033 1.00 1.08 H new ATOM 0 HZ1 LYS A 114 3.900 6.814 10.312 1.00 1.66 H new ATOM 0 HZ2 LYS A 114 5.595 6.911 10.333 1.00 1.66 H new ATOM 0 HZ3 LYS A 114 4.734 7.392 8.950 1.00 1.66 H new ATOM 675 N TRP A 115 4.670 1.805 5.352 1.00 0.17 N ATOM 676 CA TRP A 115 3.429 1.886 4.609 1.00 0.15 C ATOM 677 C TRP A 115 2.295 2.311 5.518 1.00 0.16 C ATOM 678 O TRP A 115 2.328 2.067 6.725 1.00 0.18 O ATOM 679 CB TRP A 115 3.090 0.542 3.963 1.00 0.15 C ATOM 680 CG TRP A 115 2.851 -0.562 4.949 1.00 0.16 C ATOM 681 CD1 TRP A 115 3.787 -1.400 5.468 1.00 0.19 C ATOM 682 CD2 TRP A 115 1.599 -0.953 5.529 1.00 0.17 C ATOM 683 NE1 TRP A 115 3.199 -2.292 6.329 1.00 0.22 N ATOM 684 CE2 TRP A 115 1.858 -2.038 6.386 1.00 0.20 C ATOM 685 CE3 TRP A 115 0.287 -0.493 5.409 1.00 0.18 C ATOM 686 CZ2 TRP A 115 0.858 -2.669 7.116 1.00 0.23 C ATOM 687 CZ3 TRP A 115 -0.706 -1.120 6.135 1.00 0.20 C ATOM 688 CH2 TRP A 115 -0.416 -2.199 6.978 1.00 0.22 C ATOM 0 H TRP A 115 4.622 1.237 6.198 1.00 0.17 H new ATOM 0 HA TRP A 115 3.559 2.630 3.823 1.00 0.15 H new ATOM 0 HB2 TRP A 115 2.201 0.662 3.343 1.00 0.15 H new ATOM 0 HB3 TRP A 115 3.905 0.253 3.299 1.00 0.15 H new ATOM 0 HD1 TRP A 115 4.841 -1.368 5.236 1.00 0.19 H new ATOM 0 HE1 TRP A 115 3.685 -3.026 6.844 1.00 0.22 H new ATOM 0 HE3 TRP A 115 0.053 0.338 4.760 1.00 0.18 H new ATOM 0 HZ2 TRP A 115 1.081 -3.500 7.768 1.00 0.23 H new ATOM 0 HZ3 TRP A 115 -1.725 -0.772 6.051 1.00 0.20 H new ATOM 0 HH2 TRP A 115 -1.216 -2.669 7.530 1.00 0.22 H new ATOM 699 N GLU A 116 1.303 2.959 4.933 1.00 0.17 N ATOM 700 CA GLU A 116 0.106 3.344 5.657 1.00 0.20 C ATOM 701 C GLU A 116 -1.121 3.106 4.790 1.00 0.19 C ATOM 702 O GLU A 116 -1.131 3.459 3.608 1.00 0.25 O ATOM 703 CB GLU A 116 0.174 4.822 6.049 1.00 0.32 C ATOM 704 CG GLU A 116 1.448 5.213 6.775 1.00 0.50 C ATOM 705 CD GLU A 116 1.550 6.702 6.995 1.00 0.64 C ATOM 706 OE1 GLU A 116 0.806 7.460 6.331 1.00 1.40 O ATOM 707 OE2 GLU A 116 2.383 7.125 7.820 1.00 1.22 O ATOM 0 H GLU A 116 1.304 3.231 3.950 1.00 0.17 H new ATOM 0 HA GLU A 116 0.036 2.739 6.561 1.00 0.20 H new ATOM 0 HB2 GLU A 116 0.080 5.430 5.149 1.00 0.32 H new ATOM 0 HB3 GLU A 116 -0.680 5.058 6.684 1.00 0.32 H new ATOM 0 HG2 GLU A 116 1.486 4.703 7.737 1.00 0.50 H new ATOM 0 HG3 GLU A 116 2.310 4.873 6.200 1.00 0.50 H new ATOM 714 N LEU A 117 -2.148 2.503 5.366 1.00 0.17 N ATOM 715 CA LEU A 117 -3.402 2.322 4.662 1.00 0.16 C ATOM 716 C LEU A 117 -4.293 3.517 4.926 1.00 0.15 C ATOM 717 O LEU A 117 -4.567 3.851 6.079 1.00 0.19 O ATOM 718 CB LEU A 117 -4.123 1.049 5.105 1.00 0.19 C ATOM 719 CG LEU A 117 -5.444 0.790 4.378 1.00 0.21 C ATOM 720 CD1 LEU A 117 -5.197 0.267 2.973 1.00 0.22 C ATOM 721 CD2 LEU A 117 -6.312 -0.173 5.160 1.00 0.25 C ATOM 0 H LEU A 117 -2.136 2.132 6.316 1.00 0.17 H new ATOM 0 HA LEU A 117 -3.183 2.231 3.598 1.00 0.16 H new ATOM 0 HB2 LEU A 117 -3.462 0.197 4.948 1.00 0.19 H new ATOM 0 HB3 LEU A 117 -4.316 1.109 6.176 1.00 0.19 H new ATOM 0 HG LEU A 117 -5.974 1.739 4.300 1.00 0.21 H new ATOM 0 HD11 LEU A 117 -6.152 0.091 2.477 1.00 0.22 H new ATOM 0 HD12 LEU A 117 -4.624 1.001 2.407 1.00 0.22 H new ATOM 0 HD13 LEU A 117 -4.638 -0.667 3.026 1.00 0.22 H new ATOM 0 HD21 LEU A 117 -7.245 -0.341 4.622 1.00 0.25 H new ATOM 0 HD22 LEU A 117 -5.787 -1.121 5.280 1.00 0.25 H new ATOM 0 HD23 LEU A 117 -6.530 0.248 6.142 1.00 0.25 H new ATOM 733 N HIS A 118 -4.736 4.160 3.869 1.00 0.13 N ATOM 734 CA HIS A 118 -5.538 5.357 4.007 1.00 0.14 C ATOM 735 C HIS A 118 -6.936 5.134 3.476 1.00 0.18 C ATOM 736 O HIS A 118 -7.133 4.379 2.525 1.00 0.21 O ATOM 737 CB HIS A 118 -4.891 6.533 3.275 1.00 0.18 C ATOM 738 CG HIS A 118 -3.563 6.943 3.848 1.00 0.20 C ATOM 739 ND1 HIS A 118 -3.394 8.062 4.632 1.00 0.50 N ATOM 740 CD2 HIS A 118 -2.338 6.378 3.743 1.00 0.24 C ATOM 741 CE1 HIS A 118 -2.124 8.168 4.979 1.00 0.45 C ATOM 742 NE2 HIS A 118 -1.461 7.162 4.456 1.00 0.22 N ATOM 0 H HIS A 118 -4.556 3.876 2.906 1.00 0.13 H new ATOM 0 HA HIS A 118 -5.598 5.593 5.069 1.00 0.14 H new ATOM 0 HB2 HIS A 118 -4.758 6.268 2.226 1.00 0.18 H new ATOM 0 HB3 HIS A 118 -5.569 7.386 3.305 1.00 0.18 H new ATOM 0 HD1 HIS A 118 -4.135 8.709 4.903 1.00 0.50 H new ATOM 0 HD2 HIS A 118 -2.094 5.477 3.199 1.00 0.24 H new ATOM 0 HE1 HIS A 118 -1.701 8.951 5.591 1.00 0.45 H new ATOM 751 N LYS A 119 -7.897 5.769 4.118 1.00 0.22 N ATOM 752 CA LYS A 119 -9.257 5.795 3.620 1.00 0.29 C ATOM 753 C LYS A 119 -9.450 7.074 2.818 1.00 0.27 C ATOM 754 O LYS A 119 -9.353 8.178 3.356 1.00 0.43 O ATOM 755 CB LYS A 119 -10.260 5.713 4.773 1.00 0.43 C ATOM 756 CG LYS A 119 -11.697 5.511 4.316 1.00 0.70 C ATOM 757 CD LYS A 119 -12.616 5.200 5.487 1.00 0.84 C ATOM 758 CE LYS A 119 -14.032 4.896 5.020 1.00 1.04 C ATOM 759 NZ LYS A 119 -14.697 6.093 4.439 1.00 1.69 N ATOM 0 H LYS A 119 -7.759 6.277 4.992 1.00 0.22 H new ATOM 0 HA LYS A 119 -9.433 4.931 2.979 1.00 0.29 H new ATOM 0 HB2 LYS A 119 -9.978 4.891 5.431 1.00 0.43 H new ATOM 0 HB3 LYS A 119 -10.200 6.628 5.362 1.00 0.43 H new ATOM 0 HG2 LYS A 119 -12.047 6.408 3.806 1.00 0.70 H new ATOM 0 HG3 LYS A 119 -11.739 4.696 3.593 1.00 0.70 H new ATOM 0 HD2 LYS A 119 -12.224 4.348 6.042 1.00 0.84 H new ATOM 0 HD3 LYS A 119 -12.632 6.047 6.173 1.00 0.84 H new ATOM 0 HE2 LYS A 119 -14.005 4.100 4.276 1.00 1.04 H new ATOM 0 HE3 LYS A 119 -14.620 4.527 5.861 1.00 1.04 H new ATOM 0 HZ1 LYS A 119 -15.686 5.865 4.212 1.00 1.69 H new ATOM 0 HZ2 LYS A 119 -14.671 6.873 5.127 1.00 1.69 H new ATOM 0 HZ3 LYS A 119 -14.200 6.380 3.572 1.00 1.69 H new ATOM 773 N LEU A 120 -9.687 6.923 1.529 1.00 0.23 N ATOM 774 CA LEU A 120 -9.728 8.059 0.628 1.00 0.26 C ATOM 775 C LEU A 120 -11.163 8.509 0.404 1.00 0.34 C ATOM 776 O LEU A 120 -12.085 7.695 0.338 1.00 0.37 O ATOM 777 CB LEU A 120 -9.054 7.719 -0.713 1.00 0.24 C ATOM 778 CG LEU A 120 -7.556 7.385 -0.646 1.00 0.20 C ATOM 779 CD1 LEU A 120 -6.815 8.374 0.237 1.00 0.25 C ATOM 780 CD2 LEU A 120 -7.330 5.964 -0.166 1.00 0.21 C ATOM 0 H LEU A 120 -9.855 6.022 1.081 1.00 0.23 H new ATOM 0 HA LEU A 120 -9.176 8.878 1.088 1.00 0.26 H new ATOM 0 HB2 LEU A 120 -9.576 6.870 -1.155 1.00 0.24 H new ATOM 0 HB3 LEU A 120 -9.188 8.563 -1.389 1.00 0.24 H new ATOM 0 HG LEU A 120 -7.156 7.466 -1.657 1.00 0.20 H new ATOM 0 HD11 LEU A 120 -5.757 8.114 0.266 1.00 0.25 H new ATOM 0 HD12 LEU A 120 -6.930 9.380 -0.167 1.00 0.25 H new ATOM 0 HD13 LEU A 120 -7.225 8.339 1.246 1.00 0.25 H new ATOM 0 HD21 LEU A 120 -6.260 5.758 -0.129 1.00 0.21 H new ATOM 0 HD22 LEU A 120 -7.757 5.844 0.830 1.00 0.21 H new ATOM 0 HD23 LEU A 120 -7.810 5.267 -0.853 1.00 0.21 H new ATOM 792 N GLU A 121 -11.336 9.820 0.295 1.00 0.46 N ATOM 793 CA GLU A 121 -12.654 10.417 0.136 1.00 0.57 C ATOM 794 C GLU A 121 -13.107 10.355 -1.318 1.00 0.58 C ATOM 795 O GLU A 121 -14.292 10.502 -1.614 1.00 0.69 O ATOM 796 CB GLU A 121 -12.628 11.873 0.603 1.00 0.70 C ATOM 797 CG GLU A 121 -12.247 12.045 2.064 1.00 0.80 C ATOM 798 CD GLU A 121 -12.221 13.497 2.483 1.00 1.63 C ATOM 799 OE1 GLU A 121 -13.244 13.992 2.999 1.00 2.36 O ATOM 800 OE2 GLU A 121 -11.177 14.152 2.302 1.00 2.22 O ATOM 0 H GLU A 121 -10.571 10.495 0.314 1.00 0.46 H new ATOM 0 HA GLU A 121 -13.360 9.851 0.745 1.00 0.57 H new ATOM 0 HB2 GLU A 121 -11.923 12.430 -0.014 1.00 0.70 H new ATOM 0 HB3 GLU A 121 -13.611 12.314 0.440 1.00 0.70 H new ATOM 0 HG2 GLU A 121 -12.956 11.502 2.688 1.00 0.80 H new ATOM 0 HG3 GLU A 121 -11.266 11.602 2.236 1.00 0.80 H new ATOM 807 N ASN A 122 -12.152 10.142 -2.211 1.00 0.53 N ATOM 808 CA ASN A 122 -12.417 10.091 -3.642 1.00 0.60 C ATOM 809 C ASN A 122 -11.282 9.334 -4.318 1.00 0.62 C ATOM 810 O ASN A 122 -10.113 9.561 -4.008 1.00 1.22 O ATOM 811 CB ASN A 122 -12.527 11.516 -4.205 1.00 0.73 C ATOM 812 CG ASN A 122 -13.089 11.577 -5.620 1.00 1.03 C ATOM 813 OD1 ASN A 122 -12.937 10.652 -6.414 1.00 1.16 O ATOM 814 ND2 ASN A 122 -13.738 12.684 -5.949 1.00 1.87 N ATOM 0 H ASN A 122 -11.172 10.000 -1.965 1.00 0.53 H new ATOM 0 HA ASN A 122 -13.360 9.578 -3.832 1.00 0.60 H new ATOM 0 HB2 ASN A 122 -13.162 12.109 -3.546 1.00 0.73 H new ATOM 0 HB3 ASN A 122 -11.539 11.977 -4.196 1.00 0.73 H new ATOM 0 HD21 ASN A 122 -14.129 12.787 -6.885 1.00 1.87 H new ATOM 0 HD22 ASN A 122 -13.847 13.434 -5.266 1.00 1.87 H new ATOM 821 N ALA A 123 -11.619 8.433 -5.224 1.00 0.67 N ATOM 822 CA ALA A 123 -10.616 7.582 -5.851 1.00 0.66 C ATOM 823 C ALA A 123 -10.193 8.126 -7.209 1.00 0.71 C ATOM 824 O ALA A 123 -9.269 7.608 -7.838 1.00 0.90 O ATOM 825 CB ALA A 123 -11.141 6.165 -5.989 1.00 0.69 C ATOM 0 H ALA A 123 -12.574 8.270 -5.543 1.00 0.67 H new ATOM 0 HA ALA A 123 -9.736 7.573 -5.208 1.00 0.66 H new ATOM 0 HB1 ALA A 123 -10.382 5.540 -6.459 1.00 0.69 H new ATOM 0 HB2 ALA A 123 -11.379 5.767 -5.002 1.00 0.69 H new ATOM 0 HB3 ALA A 123 -12.040 6.169 -6.605 1.00 0.69 H new ATOM 831 N ARG A 124 -10.873 9.168 -7.659 1.00 0.72 N ATOM 832 CA ARG A 124 -10.579 9.769 -8.957 1.00 0.83 C ATOM 833 C ARG A 124 -9.583 10.908 -8.801 1.00 0.75 C ATOM 834 O ARG A 124 -8.982 11.371 -9.771 1.00 0.86 O ATOM 835 CB ARG A 124 -11.858 10.288 -9.610 1.00 1.08 C ATOM 836 CG ARG A 124 -12.932 9.230 -9.795 1.00 1.37 C ATOM 837 CD ARG A 124 -14.132 9.790 -10.539 1.00 1.63 C ATOM 838 NE ARG A 124 -13.792 10.156 -11.913 1.00 2.28 N ATOM 839 CZ ARG A 124 -14.338 11.171 -12.575 1.00 2.84 C ATOM 840 NH1 ARG A 124 -15.252 11.939 -11.997 1.00 2.76 N ATOM 841 NH2 ARG A 124 -13.963 11.420 -13.820 1.00 3.84 N ATOM 0 H ARG A 124 -11.633 9.618 -7.148 1.00 0.72 H new ATOM 0 HA ARG A 124 -10.143 9.001 -9.596 1.00 0.83 H new ATOM 0 HB2 ARG A 124 -12.261 11.098 -9.002 1.00 1.08 H new ATOM 0 HB3 ARG A 124 -11.610 10.713 -10.583 1.00 1.08 H new ATOM 0 HG2 ARG A 124 -12.522 8.384 -10.346 1.00 1.37 H new ATOM 0 HG3 ARG A 124 -13.247 8.854 -8.822 1.00 1.37 H new ATOM 0 HD2 ARG A 124 -14.933 9.051 -10.547 1.00 1.63 H new ATOM 0 HD3 ARG A 124 -14.511 10.666 -10.012 1.00 1.63 H new ATOM 0 HE ARG A 124 -13.089 9.595 -12.395 1.00 2.28 H new ATOM 0 HH11 ARG A 124 -15.541 11.753 -11.037 1.00 2.76 H new ATOM 0 HH12 ARG A 124 -15.666 12.716 -12.513 1.00 2.76 H new ATOM 0 HH21 ARG A 124 -13.258 10.834 -14.267 1.00 3.84 H new ATOM 0 HH22 ARG A 124 -14.379 12.198 -14.332 1.00 3.84 H new ATOM 855 N LYS A 125 -9.417 11.344 -7.568 1.00 0.75 N ATOM 856 CA LYS A 125 -8.528 12.447 -7.245 1.00 0.68 C ATOM 857 C LYS A 125 -7.176 11.915 -6.809 1.00 0.55 C ATOM 858 O LYS A 125 -7.049 10.730 -6.490 1.00 0.53 O ATOM 859 CB LYS A 125 -9.126 13.295 -6.115 1.00 0.79 C ATOM 860 CG LYS A 125 -10.469 13.923 -6.445 1.00 0.93 C ATOM 861 CD LYS A 125 -10.395 14.776 -7.697 1.00 1.64 C ATOM 862 CE LYS A 125 -11.651 15.609 -7.871 1.00 1.90 C ATOM 863 NZ LYS A 125 -11.820 16.590 -6.766 1.00 2.26 N ATOM 0 H LYS A 125 -9.894 10.945 -6.760 1.00 0.75 H new ATOM 0 HA LYS A 125 -8.406 13.065 -8.134 1.00 0.68 H new ATOM 0 HB2 LYS A 125 -9.239 12.670 -5.229 1.00 0.79 H new ATOM 0 HB3 LYS A 125 -8.422 14.086 -5.859 1.00 0.79 H new ATOM 0 HG2 LYS A 125 -11.214 13.139 -6.582 1.00 0.93 H new ATOM 0 HG3 LYS A 125 -10.801 14.535 -5.606 1.00 0.93 H new ATOM 0 HD2 LYS A 125 -9.526 15.432 -7.642 1.00 1.64 H new ATOM 0 HD3 LYS A 125 -10.257 14.136 -8.568 1.00 1.64 H new ATOM 0 HE2 LYS A 125 -11.608 16.138 -8.823 1.00 1.90 H new ATOM 0 HE3 LYS A 125 -12.520 14.952 -7.910 1.00 1.90 H new ATOM 0 HZ1 LYS A 125 -11.968 17.539 -7.164 1.00 2.26 H new ATOM 0 HZ2 LYS A 125 -12.643 16.324 -6.189 1.00 2.26 H new ATOM 0 HZ3 LYS A 125 -10.967 16.593 -6.171 1.00 2.26 H new ATOM 877 N PRO A 126 -6.136 12.764 -6.824 1.00 0.51 N ATOM 878 CA PRO A 126 -4.860 12.430 -6.204 1.00 0.45 C ATOM 879 C PRO A 126 -5.080 12.036 -4.753 1.00 0.39 C ATOM 880 O PRO A 126 -5.628 12.813 -3.966 1.00 0.47 O ATOM 881 CB PRO A 126 -4.041 13.724 -6.296 1.00 0.51 C ATOM 882 CG PRO A 126 -5.019 14.789 -6.669 1.00 0.59 C ATOM 883 CD PRO A 126 -6.110 14.099 -7.439 1.00 0.60 C ATOM 0 HA PRO A 126 -4.359 11.592 -6.688 1.00 0.45 H new ATOM 0 HB2 PRO A 126 -3.557 13.951 -5.346 1.00 0.51 H new ATOM 0 HB3 PRO A 126 -3.252 13.637 -7.043 1.00 0.51 H new ATOM 0 HG2 PRO A 126 -5.418 15.280 -5.782 1.00 0.59 H new ATOM 0 HG3 PRO A 126 -4.543 15.561 -7.274 1.00 0.59 H new ATOM 0 HD2 PRO A 126 -7.066 14.612 -7.336 1.00 0.60 H new ATOM 0 HD3 PRO A 126 -5.887 14.051 -8.505 1.00 0.60 H new ATOM 891 N LEU A 127 -4.680 10.825 -4.412 1.00 0.32 N ATOM 892 CA LEU A 127 -4.998 10.260 -3.116 1.00 0.26 C ATOM 893 C LEU A 127 -4.326 11.045 -2.004 1.00 0.29 C ATOM 894 O LEU A 127 -3.215 11.555 -2.162 1.00 0.37 O ATOM 895 CB LEU A 127 -4.605 8.786 -3.065 1.00 0.24 C ATOM 896 CG LEU A 127 -5.182 7.925 -4.196 1.00 0.26 C ATOM 897 CD1 LEU A 127 -4.895 6.459 -3.945 1.00 0.26 C ATOM 898 CD2 LEU A 127 -6.681 8.155 -4.355 1.00 0.27 C ATOM 0 H LEU A 127 -4.133 10.213 -5.017 1.00 0.32 H new ATOM 0 HA LEU A 127 -6.075 10.329 -2.966 1.00 0.26 H new ATOM 0 HB2 LEU A 127 -3.518 8.714 -3.091 1.00 0.24 H new ATOM 0 HB3 LEU A 127 -4.929 8.371 -2.111 1.00 0.24 H new ATOM 0 HG LEU A 127 -4.696 8.223 -5.125 1.00 0.26 H new ATOM 0 HD11 LEU A 127 -5.311 5.863 -4.757 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -3.817 6.303 -3.895 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -5.350 6.156 -3.002 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -7.061 7.531 -5.164 1.00 0.27 H new ATOM 0 HD22 LEU A 127 -7.189 7.895 -3.427 1.00 0.27 H new ATOM 0 HD23 LEU A 127 -6.865 9.204 -4.588 1.00 0.27 H new ATOM 910 N LYS A 128 -5.016 11.149 -0.883 1.00 0.29 N ATOM 911 CA LYS A 128 -4.593 12.024 0.189 1.00 0.36 C ATOM 912 C LYS A 128 -4.212 11.259 1.447 1.00 0.26 C ATOM 913 O LYS A 128 -4.812 10.241 1.794 1.00 0.23 O ATOM 914 CB LYS A 128 -5.708 13.013 0.525 1.00 0.51 C ATOM 915 CG LYS A 128 -7.016 12.347 0.932 1.00 1.10 C ATOM 916 CD LYS A 128 -8.008 13.350 1.496 1.00 1.37 C ATOM 917 CE LYS A 128 -8.385 14.404 0.469 1.00 1.80 C ATOM 918 NZ LYS A 128 -9.254 15.457 1.051 1.00 2.27 N ATOM 0 H LYS A 128 -5.876 10.634 -0.693 1.00 0.29 H new ATOM 0 HA LYS A 128 -3.707 12.553 -0.163 1.00 0.36 H new ATOM 0 HB2 LYS A 128 -5.374 13.662 1.334 1.00 0.51 H new ATOM 0 HB3 LYS A 128 -5.889 13.650 -0.341 1.00 0.51 H new ATOM 0 HG2 LYS A 128 -7.455 11.849 0.067 1.00 1.10 H new ATOM 0 HG3 LYS A 128 -6.815 11.576 1.676 1.00 1.10 H new ATOM 0 HD2 LYS A 128 -8.905 12.828 1.828 1.00 1.37 H new ATOM 0 HD3 LYS A 128 -7.578 13.834 2.373 1.00 1.37 H new ATOM 0 HE2 LYS A 128 -7.480 14.861 0.068 1.00 1.80 H new ATOM 0 HE3 LYS A 128 -8.900 13.929 -0.367 1.00 1.80 H new ATOM 0 HZ1 LYS A 128 -9.772 15.940 0.289 1.00 2.27 H new ATOM 0 HZ2 LYS A 128 -9.932 15.023 1.709 1.00 2.27 H new ATOM 0 HZ3 LYS A 128 -8.668 16.147 1.563 1.00 2.27 H new ATOM 932 N ASP A 129 -3.197 11.763 2.114 1.00 0.32 N ATOM 933 CA ASP A 129 -2.838 11.305 3.440 1.00 0.39 C ATOM 934 C ASP A 129 -3.657 12.078 4.464 1.00 0.45 C ATOM 935 O ASP A 129 -4.281 13.084 4.132 1.00 0.51 O ATOM 936 CB ASP A 129 -1.344 11.503 3.707 1.00 0.59 C ATOM 937 CG ASP A 129 -0.971 12.963 3.839 1.00 1.00 C ATOM 938 OD1 ASP A 129 -0.937 13.662 2.806 1.00 1.56 O ATOM 939 OD2 ASP A 129 -0.705 13.411 4.968 1.00 1.88 O ATOM 0 H ASP A 129 -2.596 12.503 1.752 1.00 0.32 H new ATOM 0 HA ASP A 129 -3.051 10.239 3.517 1.00 0.39 H new ATOM 0 HB2 ASP A 129 -1.068 10.976 4.620 1.00 0.59 H new ATOM 0 HB3 ASP A 129 -0.770 11.056 2.895 1.00 0.59 H new ATOM 944 N GLY A 130 -3.677 11.598 5.691 1.00 0.51 N ATOM 945 CA GLY A 130 -4.445 12.255 6.730 1.00 0.62 C ATOM 946 C GLY A 130 -5.436 11.315 7.369 1.00 0.60 C ATOM 947 O GLY A 130 -5.640 11.342 8.580 1.00 0.75 O ATOM 0 H GLY A 130 -3.175 10.763 5.992 1.00 0.51 H new ATOM 0 HA2 GLY A 130 -3.769 12.644 7.491 1.00 0.62 H new ATOM 0 HA3 GLY A 130 -4.974 13.109 6.307 1.00 0.62 H new ATOM 951 N ASN A 131 -6.049 10.470 6.559 1.00 0.47 N ATOM 952 CA ASN A 131 -6.920 9.433 7.077 1.00 0.46 C ATOM 953 C ASN A 131 -6.186 8.111 7.018 1.00 0.40 C ATOM 954 O ASN A 131 -5.990 7.558 5.940 1.00 0.46 O ATOM 955 CB ASN A 131 -8.215 9.343 6.266 1.00 0.51 C ATOM 956 CG ASN A 131 -8.970 10.656 6.221 1.00 1.32 C ATOM 957 OD1 ASN A 131 -9.782 10.951 7.099 1.00 2.28 O ATOM 958 ND2 ASN A 131 -8.718 11.450 5.189 1.00 1.45 N ATOM 0 H ASN A 131 -5.959 10.482 5.543 1.00 0.47 H new ATOM 0 HA ASN A 131 -7.186 9.674 8.106 1.00 0.46 H new ATOM 0 HB2 ASN A 131 -7.981 9.028 5.249 1.00 0.51 H new ATOM 0 HB3 ASN A 131 -8.856 8.575 6.698 1.00 0.51 H new ATOM 0 HD21 ASN A 131 -9.204 12.342 5.101 1.00 1.45 H new ATOM 0 HD22 ASN A 131 -8.038 11.168 4.483 1.00 1.45 H new ATOM 965 N VAL A 132 -5.760 7.617 8.161 1.00 0.36 N ATOM 966 CA VAL A 132 -4.990 6.391 8.206 1.00 0.31 C ATOM 967 C VAL A 132 -5.698 5.354 9.061 1.00 0.28 C ATOM 968 O VAL A 132 -6.242 5.662 10.123 1.00 0.35 O ATOM 969 CB VAL A 132 -3.556 6.632 8.734 1.00 0.35 C ATOM 970 CG1 VAL A 132 -3.579 7.177 10.150 1.00 0.73 C ATOM 971 CG2 VAL A 132 -2.725 5.358 8.662 1.00 0.71 C ATOM 0 H VAL A 132 -5.933 8.044 9.071 1.00 0.36 H new ATOM 0 HA VAL A 132 -4.907 6.017 7.185 1.00 0.31 H new ATOM 0 HB VAL A 132 -3.089 7.379 8.092 1.00 0.35 H new ATOM 0 HG11 VAL A 132 -2.557 7.337 10.495 1.00 0.73 H new ATOM 0 HG12 VAL A 132 -4.120 8.123 10.167 1.00 0.73 H new ATOM 0 HG13 VAL A 132 -4.076 6.463 10.807 1.00 0.73 H new ATOM 0 HG21 VAL A 132 -1.722 5.556 9.039 1.00 0.71 H new ATOM 0 HG22 VAL A 132 -3.194 4.583 9.268 1.00 0.71 H new ATOM 0 HG23 VAL A 132 -2.664 5.022 7.627 1.00 0.71 H new ATOM 981 N ILE A 133 -5.712 4.130 8.574 1.00 0.23 N ATOM 982 CA ILE A 133 -6.386 3.047 9.258 1.00 0.26 C ATOM 983 C ILE A 133 -5.365 2.109 9.890 1.00 0.28 C ATOM 984 O ILE A 133 -5.444 1.798 11.074 1.00 0.38 O ATOM 985 CB ILE A 133 -7.279 2.256 8.283 1.00 0.31 C ATOM 986 CG1 ILE A 133 -8.165 3.206 7.465 1.00 0.34 C ATOM 987 CG2 ILE A 133 -8.132 1.249 9.039 1.00 0.38 C ATOM 988 CD1 ILE A 133 -9.125 4.033 8.300 1.00 0.35 C ATOM 0 H ILE A 133 -5.260 3.860 7.700 1.00 0.23 H new ATOM 0 HA ILE A 133 -7.014 3.477 10.038 1.00 0.26 H new ATOM 0 HB ILE A 133 -6.634 1.713 7.593 1.00 0.31 H new ATOM 0 HG12 ILE A 133 -7.526 3.879 6.893 1.00 0.34 H new ATOM 0 HG13 ILE A 133 -8.738 2.621 6.745 1.00 0.34 H new ATOM 0 HG21 ILE A 133 -8.756 0.699 8.335 1.00 0.38 H new ATOM 0 HG22 ILE A 133 -7.485 0.552 9.572 1.00 0.38 H new ATOM 0 HG23 ILE A 133 -8.766 1.773 9.754 1.00 0.38 H new ATOM 0 HD11 ILE A 133 -9.714 4.677 7.647 1.00 0.35 H new ATOM 0 HD12 ILE A 133 -9.791 3.370 8.852 1.00 0.35 H new ATOM 0 HD13 ILE A 133 -8.561 4.647 9.002 1.00 0.35 H new ATOM 1000 N GLU A 134 -4.397 1.687 9.087 1.00 0.25 N ATOM 1001 CA GLU A 134 -3.350 0.775 9.528 1.00 0.30 C ATOM 1002 C GLU A 134 -2.021 1.242 8.953 1.00 0.23 C ATOM 1003 O GLU A 134 -2.004 1.996 7.980 1.00 0.21 O ATOM 1004 CB GLU A 134 -3.636 -0.657 9.058 1.00 0.43 C ATOM 1005 CG GLU A 134 -4.927 -1.250 9.603 1.00 0.63 C ATOM 1006 CD GLU A 134 -4.824 -1.697 11.051 1.00 0.74 C ATOM 1007 OE1 GLU A 134 -4.514 -0.861 11.927 1.00 1.50 O ATOM 1008 OE2 GLU A 134 -5.079 -2.889 11.320 1.00 1.42 O ATOM 0 H GLU A 134 -4.316 1.968 8.110 1.00 0.25 H new ATOM 0 HA GLU A 134 -3.315 0.776 10.617 1.00 0.30 H new ATOM 0 HB2 GLU A 134 -3.677 -0.668 7.969 1.00 0.43 H new ATOM 0 HB3 GLU A 134 -2.804 -1.296 9.352 1.00 0.43 H new ATOM 0 HG2 GLU A 134 -5.723 -0.510 9.515 1.00 0.63 H new ATOM 0 HG3 GLU A 134 -5.214 -2.102 8.987 1.00 0.63 H new ATOM 1015 N LYS A 135 -0.919 0.807 9.542 1.00 0.28 N ATOM 1016 CA LYS A 135 0.402 1.199 9.069 1.00 0.25 C ATOM 1017 C LYS A 135 1.475 0.291 9.653 1.00 0.27 C ATOM 1018 O LYS A 135 1.233 -0.411 10.635 1.00 0.34 O ATOM 1019 CB LYS A 135 0.685 2.663 9.432 1.00 0.32 C ATOM 1020 CG LYS A 135 0.517 2.968 10.910 1.00 0.56 C ATOM 1021 CD LYS A 135 0.617 4.457 11.191 1.00 0.62 C ATOM 1022 CE LYS A 135 0.552 4.748 12.682 1.00 0.74 C ATOM 1023 NZ LYS A 135 -0.631 4.119 13.328 1.00 1.53 N ATOM 0 H LYS A 135 -0.911 0.182 10.348 1.00 0.28 H new ATOM 0 HA LYS A 135 0.422 1.098 7.984 1.00 0.25 H new ATOM 0 HB2 LYS A 135 1.703 2.912 9.132 1.00 0.32 H new ATOM 0 HB3 LYS A 135 0.017 3.306 8.859 1.00 0.32 H new ATOM 0 HG2 LYS A 135 -0.450 2.598 11.250 1.00 0.56 H new ATOM 0 HG3 LYS A 135 1.280 2.438 11.480 1.00 0.56 H new ATOM 0 HD2 LYS A 135 1.552 4.843 10.784 1.00 0.62 H new ATOM 0 HD3 LYS A 135 -0.192 4.980 10.682 1.00 0.62 H new ATOM 0 HE2 LYS A 135 1.461 4.384 13.161 1.00 0.74 H new ATOM 0 HE3 LYS A 135 0.518 5.826 12.839 1.00 0.74 H new ATOM 0 HZ1 LYS A 135 -0.759 4.517 14.280 1.00 1.53 H new ATOM 0 HZ2 LYS A 135 -1.480 4.308 12.757 1.00 1.53 H new ATOM 0 HZ3 LYS A 135 -0.483 3.092 13.399 1.00 1.53 H new ATOM 1037 N GLY A 136 2.646 0.296 9.036 1.00 0.30 N ATOM 1038 CA GLY A 136 3.741 -0.523 9.517 1.00 0.38 C ATOM 1039 C GLY A 136 4.894 -0.564 8.540 1.00 0.34 C ATOM 1040 O GLY A 136 5.170 0.425 7.860 1.00 0.29 O ATOM 0 H GLY A 136 2.859 0.853 8.209 1.00 0.30 H new ATOM 0 HA2 GLY A 136 4.091 -0.134 10.473 1.00 0.38 H new ATOM 0 HA3 GLY A 136 3.383 -1.537 9.697 1.00 0.38 H new ATOM 1044 N PHE A 137 5.554 -1.712 8.454 1.00 0.38 N ATOM 1045 CA PHE A 137 6.703 -1.870 7.573 1.00 0.32 C ATOM 1046 C PHE A 137 6.456 -2.983 6.557 1.00 0.33 C ATOM 1047 O PHE A 137 5.702 -3.924 6.817 1.00 0.46 O ATOM 1048 CB PHE A 137 7.963 -2.170 8.390 1.00 0.42 C ATOM 1049 CG PHE A 137 8.282 -1.111 9.408 1.00 1.07 C ATOM 1050 CD1 PHE A 137 8.756 0.130 9.012 1.00 2.05 C ATOM 1051 CD2 PHE A 137 8.105 -1.355 10.763 1.00 1.81 C ATOM 1052 CE1 PHE A 137 9.048 1.106 9.946 1.00 2.86 C ATOM 1053 CE2 PHE A 137 8.395 -0.383 11.699 1.00 2.60 C ATOM 1054 CZ PHE A 137 8.866 0.847 11.291 1.00 2.93 C ATOM 0 H PHE A 137 5.312 -2.549 8.985 1.00 0.38 H new ATOM 0 HA PHE A 137 6.849 -0.935 7.031 1.00 0.32 H new ATOM 0 HB2 PHE A 137 7.838 -3.126 8.898 1.00 0.42 H new ATOM 0 HB3 PHE A 137 8.809 -2.278 7.712 1.00 0.42 H new ATOM 0 HD1 PHE A 137 8.899 0.337 7.962 1.00 2.05 H new ATOM 0 HD2 PHE A 137 7.736 -2.316 11.089 1.00 1.81 H new ATOM 0 HE1 PHE A 137 9.418 2.069 9.625 1.00 2.86 H new ATOM 0 HE2 PHE A 137 8.253 -0.586 12.750 1.00 2.60 H new ATOM 0 HZ PHE A 137 9.093 1.608 12.023 1.00 2.93 H new ATOM 1064 N VAL A 138 7.099 -2.860 5.404 1.00 0.27 N ATOM 1065 CA VAL A 138 6.903 -3.779 4.281 1.00 0.41 C ATOM 1066 C VAL A 138 7.707 -5.072 4.458 1.00 0.70 C ATOM 1067 O VAL A 138 7.648 -5.967 3.619 1.00 1.41 O ATOM 1068 CB VAL A 138 7.269 -3.101 2.934 1.00 0.53 C ATOM 1069 CG1 VAL A 138 6.936 -3.992 1.748 1.00 0.76 C ATOM 1070 CG2 VAL A 138 6.553 -1.767 2.788 1.00 0.48 C ATOM 0 H VAL A 138 7.774 -2.119 5.216 1.00 0.27 H new ATOM 0 HA VAL A 138 5.845 -4.040 4.264 1.00 0.41 H new ATOM 0 HB VAL A 138 8.346 -2.931 2.943 1.00 0.53 H new ATOM 0 HG11 VAL A 138 7.207 -3.483 0.823 1.00 0.76 H new ATOM 0 HG12 VAL A 138 7.495 -4.925 1.825 1.00 0.76 H new ATOM 0 HG13 VAL A 138 5.868 -4.208 1.744 1.00 0.76 H new ATOM 0 HG21 VAL A 138 6.825 -1.310 1.836 1.00 0.48 H new ATOM 0 HG22 VAL A 138 5.475 -1.927 2.819 1.00 0.48 H new ATOM 0 HG23 VAL A 138 6.845 -1.106 3.604 1.00 0.48 H new ATOM 1080 N SER A 139 8.474 -5.150 5.537 1.00 0.32 N ATOM 1081 CA SER A 139 9.341 -6.299 5.810 1.00 0.51 C ATOM 1082 C SER A 139 8.558 -7.615 5.982 1.00 0.39 C ATOM 1083 O SER A 139 8.419 -8.136 7.090 1.00 1.13 O ATOM 1084 CB SER A 139 10.166 -6.010 7.059 1.00 1.03 C ATOM 1085 OG SER A 139 10.824 -4.762 6.939 1.00 1.68 O ATOM 0 H SER A 139 8.516 -4.422 6.250 1.00 0.32 H new ATOM 0 HA SER A 139 9.990 -6.438 4.945 1.00 0.51 H new ATOM 0 HB2 SER A 139 9.519 -6.004 7.936 1.00 1.03 H new ATOM 0 HB3 SER A 139 10.900 -6.802 7.209 1.00 1.03 H new ATOM 0 HG SER A 139 11.758 -4.908 6.681 1.00 1.68 H new ATOM 1091 N ASN A 140 8.062 -8.139 4.872 1.00 0.51 N ATOM 1092 CA ASN A 140 7.378 -9.423 4.830 1.00 0.34 C ATOM 1093 C ASN A 140 7.713 -10.116 3.512 1.00 0.27 C ATOM 1094 O ASN A 140 7.156 -9.787 2.463 1.00 0.37 O ATOM 1095 CB ASN A 140 5.863 -9.225 4.963 1.00 0.37 C ATOM 1096 CG ASN A 140 5.082 -10.529 4.949 1.00 0.38 C ATOM 1097 OD1 ASN A 140 3.956 -10.580 4.458 1.00 0.94 O ATOM 1098 ND2 ASN A 140 5.656 -11.586 5.507 1.00 0.88 N ATOM 0 H ASN A 140 8.124 -7.679 3.964 1.00 0.51 H new ATOM 0 HA ASN A 140 7.710 -10.043 5.663 1.00 0.34 H new ATOM 0 HB2 ASN A 140 5.653 -8.694 5.892 1.00 0.37 H new ATOM 0 HB3 ASN A 140 5.514 -8.592 4.148 1.00 0.37 H new ATOM 0 HD21 ASN A 140 5.162 -12.478 5.538 1.00 0.88 H new ATOM 0 HD22 ASN A 140 6.592 -11.507 5.905 1.00 0.88 H new ATOM 1105 N GLN A 141 8.640 -11.060 3.569 1.00 0.35 N ATOM 1106 CA GLN A 141 9.175 -11.686 2.368 1.00 0.32 C ATOM 1107 C GLN A 141 8.303 -12.860 1.926 1.00 0.30 C ATOM 1108 O GLN A 141 8.460 -13.979 2.418 1.00 0.36 O ATOM 1109 CB GLN A 141 10.601 -12.178 2.631 1.00 0.39 C ATOM 1110 CG GLN A 141 11.405 -12.441 1.369 1.00 0.39 C ATOM 1111 CD GLN A 141 11.926 -11.162 0.742 1.00 0.52 C ATOM 1112 OE1 GLN A 141 13.030 -10.720 1.045 1.00 0.69 O ATOM 1113 NE2 GLN A 141 11.136 -10.552 -0.125 1.00 0.63 N ATOM 0 H GLN A 141 9.040 -11.411 4.439 1.00 0.35 H new ATOM 0 HA GLN A 141 9.183 -10.942 1.571 1.00 0.32 H new ATOM 0 HB2 GLN A 141 11.124 -11.437 3.236 1.00 0.39 H new ATOM 0 HB3 GLN A 141 10.556 -13.095 3.219 1.00 0.39 H new ATOM 0 HG2 GLN A 141 12.244 -13.095 1.605 1.00 0.39 H new ATOM 0 HG3 GLN A 141 10.782 -12.969 0.647 1.00 0.39 H new ATOM 0 HE21 GLN A 141 10.225 -10.950 -0.352 1.00 0.63 H new ATOM 0 HE22 GLN A 141 11.438 -9.684 -0.567 1.00 0.63 H new ATOM 1122 N ILE A 142 7.383 -12.611 1.005 1.00 0.25 N ATOM 1123 CA ILE A 142 6.544 -13.678 0.472 1.00 0.27 C ATOM 1124 C ILE A 142 7.241 -14.379 -0.689 1.00 0.30 C ATOM 1125 O ILE A 142 6.869 -15.485 -1.083 1.00 0.37 O ATOM 1126 CB ILE A 142 5.159 -13.172 0.014 1.00 0.27 C ATOM 1127 CG1 ILE A 142 5.287 -12.128 -1.101 1.00 0.24 C ATOM 1128 CG2 ILE A 142 4.402 -12.592 1.199 1.00 0.29 C ATOM 1129 CD1 ILE A 142 3.982 -11.842 -1.811 1.00 0.26 C ATOM 0 H ILE A 142 7.198 -11.688 0.613 1.00 0.25 H new ATOM 0 HA ILE A 142 6.385 -14.384 1.287 1.00 0.27 H new ATOM 0 HB ILE A 142 4.602 -14.019 -0.387 1.00 0.27 H new ATOM 0 HG12 ILE A 142 5.672 -11.200 -0.677 1.00 0.24 H new ATOM 0 HG13 ILE A 142 6.020 -12.474 -1.830 1.00 0.24 H new ATOM 0 HG21 ILE A 142 3.426 -12.237 0.869 1.00 0.29 H new ATOM 0 HG22 ILE A 142 4.270 -13.362 1.959 1.00 0.29 H new ATOM 0 HG23 ILE A 142 4.967 -11.760 1.620 1.00 0.29 H new ATOM 0 HD11 ILE A 142 4.146 -11.095 -2.587 1.00 0.26 H new ATOM 0 HD12 ILE A 142 3.606 -12.759 -2.264 1.00 0.26 H new ATOM 0 HD13 ILE A 142 3.252 -11.466 -1.094 1.00 0.26 H new ATOM 1141 N GLY A 143 8.252 -13.721 -1.232 1.00 0.28 N ATOM 1142 CA GLY A 143 9.059 -14.305 -2.282 1.00 0.34 C ATOM 1143 C GLY A 143 10.450 -13.729 -2.252 1.00 0.40 C ATOM 1144 O GLY A 143 10.653 -12.688 -1.644 1.00 0.53 O ATOM 0 H GLY A 143 8.531 -12.779 -0.959 1.00 0.28 H new ATOM 0 HA2 GLY A 143 9.103 -15.387 -2.157 1.00 0.34 H new ATOM 0 HA3 GLY A 143 8.600 -14.114 -3.252 1.00 0.34 H new ATOM 1148 N ASP A 144 11.397 -14.380 -2.912 1.00 0.48 N ATOM 1149 CA ASP A 144 12.803 -13.964 -2.849 1.00 0.56 C ATOM 1150 C ASP A 144 12.998 -12.514 -3.278 1.00 0.48 C ATOM 1151 O ASP A 144 13.909 -11.834 -2.802 1.00 0.56 O ATOM 1152 CB ASP A 144 13.678 -14.878 -3.704 1.00 0.70 C ATOM 1153 CG ASP A 144 14.021 -16.170 -2.997 1.00 1.63 C ATOM 1154 OD1 ASP A 144 15.117 -16.249 -2.403 1.00 2.49 O ATOM 1155 OD2 ASP A 144 13.196 -17.108 -3.023 1.00 2.30 O ATOM 0 H ASP A 144 11.225 -15.197 -3.498 1.00 0.48 H new ATOM 0 HA ASP A 144 13.107 -14.046 -1.805 1.00 0.56 H new ATOM 0 HB2 ASP A 144 13.161 -15.103 -4.637 1.00 0.70 H new ATOM 0 HB3 ASP A 144 14.598 -14.355 -3.967 1.00 0.70 H new ATOM 1160 N SER A 145 12.151 -12.041 -4.172 1.00 0.38 N ATOM 1161 CA SER A 145 12.207 -10.657 -4.608 1.00 0.35 C ATOM 1162 C SER A 145 10.826 -10.016 -4.538 1.00 0.31 C ATOM 1163 O SER A 145 10.509 -9.102 -5.302 1.00 0.36 O ATOM 1164 CB SER A 145 12.769 -10.586 -6.028 1.00 0.38 C ATOM 1165 OG SER A 145 12.202 -11.597 -6.847 1.00 1.08 O ATOM 0 H SER A 145 11.415 -12.594 -4.611 1.00 0.38 H new ATOM 0 HA SER A 145 12.867 -10.101 -3.942 1.00 0.35 H new ATOM 0 HB2 SER A 145 12.562 -9.606 -6.457 1.00 0.38 H new ATOM 0 HB3 SER A 145 13.853 -10.699 -6.001 1.00 0.38 H new ATOM 0 HG SER A 145 12.574 -11.532 -7.751 1.00 1.08 H new ATOM 1171 N LEU A 146 10.011 -10.485 -3.600 1.00 0.27 N ATOM 1172 CA LEU A 146 8.637 -10.032 -3.499 1.00 0.22 C ATOM 1173 C LEU A 146 8.240 -9.827 -2.039 1.00 0.21 C ATOM 1174 O LEU A 146 8.451 -10.705 -1.195 1.00 0.23 O ATOM 1175 CB LEU A 146 7.719 -11.059 -4.158 1.00 0.23 C ATOM 1176 CG LEU A 146 6.357 -10.539 -4.604 1.00 0.23 C ATOM 1177 CD1 LEU A 146 6.516 -9.482 -5.683 1.00 0.26 C ATOM 1178 CD2 LEU A 146 5.496 -11.684 -5.105 1.00 0.27 C ATOM 0 H LEU A 146 10.281 -11.178 -2.902 1.00 0.27 H new ATOM 0 HA LEU A 146 8.540 -9.075 -4.011 1.00 0.22 H new ATOM 0 HB2 LEU A 146 8.232 -11.473 -5.026 1.00 0.23 H new ATOM 0 HB3 LEU A 146 7.563 -11.881 -3.459 1.00 0.23 H new ATOM 0 HG LEU A 146 5.863 -10.081 -3.747 1.00 0.23 H new ATOM 0 HD11 LEU A 146 5.533 -9.123 -5.988 1.00 0.26 H new ATOM 0 HD12 LEU A 146 7.101 -8.649 -5.293 1.00 0.26 H new ATOM 0 HD13 LEU A 146 7.028 -9.914 -6.543 1.00 0.26 H new ATOM 0 HD21 LEU A 146 4.526 -11.299 -5.420 1.00 0.27 H new ATOM 0 HD22 LEU A 146 5.987 -12.166 -5.950 1.00 0.27 H new ATOM 0 HD23 LEU A 146 5.355 -12.411 -4.305 1.00 0.27 H new ATOM 1190 N TYR A 147 7.679 -8.664 -1.745 1.00 0.18 N ATOM 1191 CA TYR A 147 7.219 -8.339 -0.400 1.00 0.18 C ATOM 1192 C TYR A 147 5.714 -8.113 -0.407 1.00 0.16 C ATOM 1193 O TYR A 147 5.132 -7.833 -1.453 1.00 0.19 O ATOM 1194 CB TYR A 147 7.924 -7.084 0.122 1.00 0.19 C ATOM 1195 CG TYR A 147 9.376 -7.286 0.502 1.00 0.23 C ATOM 1196 CD1 TYR A 147 9.742 -7.495 1.827 1.00 1.21 C ATOM 1197 CD2 TYR A 147 10.379 -7.252 -0.455 1.00 1.10 C ATOM 1198 CE1 TYR A 147 11.065 -7.662 2.184 1.00 1.24 C ATOM 1199 CE2 TYR A 147 11.705 -7.422 -0.108 1.00 1.10 C ATOM 1200 CZ TYR A 147 12.043 -7.626 1.214 1.00 0.36 C ATOM 1201 OH TYR A 147 13.363 -7.790 1.565 1.00 0.43 O ATOM 0 H TYR A 147 7.529 -7.921 -2.427 1.00 0.18 H new ATOM 0 HA TYR A 147 7.458 -9.175 0.257 1.00 0.18 H new ATOM 0 HB2 TYR A 147 7.867 -6.308 -0.641 1.00 0.19 H new ATOM 0 HB3 TYR A 147 7.382 -6.715 0.993 1.00 0.19 H new ATOM 0 HD1 TYR A 147 8.978 -7.527 2.590 1.00 1.21 H new ATOM 0 HD2 TYR A 147 10.119 -7.090 -1.490 1.00 1.10 H new ATOM 0 HE1 TYR A 147 11.332 -7.820 3.218 1.00 1.24 H new ATOM 0 HE2 TYR A 147 12.473 -7.395 -0.867 1.00 1.10 H new ATOM 0 HH TYR A 147 13.604 -8.737 1.497 1.00 0.43 H new ATOM 1211 N LYS A 148 5.084 -8.230 0.751 1.00 0.17 N ATOM 1212 CA LYS A 148 3.645 -8.046 0.843 1.00 0.18 C ATOM 1213 C LYS A 148 3.257 -7.339 2.134 1.00 0.19 C ATOM 1214 O LYS A 148 3.803 -7.618 3.201 1.00 0.28 O ATOM 1215 CB LYS A 148 2.937 -9.396 0.756 1.00 0.26 C ATOM 1216 CG LYS A 148 1.422 -9.307 0.861 1.00 0.34 C ATOM 1217 CD LYS A 148 0.775 -10.670 0.696 1.00 0.50 C ATOM 1218 CE LYS A 148 -0.705 -10.632 1.047 1.00 0.62 C ATOM 1219 NZ LYS A 148 -1.359 -11.944 0.822 1.00 0.84 N ATOM 0 H LYS A 148 5.543 -8.450 1.635 1.00 0.17 H new ATOM 0 HA LYS A 148 3.334 -7.419 0.008 1.00 0.18 H new ATOM 0 HB2 LYS A 148 3.198 -9.872 -0.189 1.00 0.26 H new ATOM 0 HB3 LYS A 148 3.309 -10.042 1.551 1.00 0.26 H new ATOM 0 HG2 LYS A 148 1.147 -8.887 1.828 1.00 0.34 H new ATOM 0 HG3 LYS A 148 1.042 -8.627 0.098 1.00 0.34 H new ATOM 0 HD2 LYS A 148 0.897 -11.010 -0.332 1.00 0.50 H new ATOM 0 HD3 LYS A 148 1.282 -11.394 1.333 1.00 0.50 H new ATOM 0 HE2 LYS A 148 -0.824 -10.341 2.091 1.00 0.62 H new ATOM 0 HE3 LYS A 148 -1.202 -9.871 0.446 1.00 0.62 H new ATOM 0 HZ1 LYS A 148 -2.366 -11.877 1.073 1.00 0.84 H new ATOM 0 HZ2 LYS A 148 -1.268 -12.210 -0.179 1.00 0.84 H new ATOM 0 HZ3 LYS A 148 -0.902 -12.666 1.415 1.00 0.84 H new ATOM 1233 N ILE A 149 2.313 -6.423 2.022 1.00 0.15 N ATOM 1234 CA ILE A 149 1.790 -5.711 3.171 1.00 0.18 C ATOM 1235 C ILE A 149 0.277 -5.834 3.234 1.00 0.22 C ATOM 1236 O ILE A 149 -0.435 -5.312 2.380 1.00 0.35 O ATOM 1237 CB ILE A 149 2.192 -4.224 3.147 1.00 0.18 C ATOM 1238 CG1 ILE A 149 1.937 -3.606 1.767 1.00 0.19 C ATOM 1239 CG2 ILE A 149 3.649 -4.088 3.533 1.00 0.19 C ATOM 1240 CD1 ILE A 149 2.234 -2.127 1.697 1.00 0.20 C ATOM 0 H ILE A 149 1.889 -6.153 1.135 1.00 0.15 H new ATOM 0 HA ILE A 149 2.224 -6.167 4.061 1.00 0.18 H new ATOM 0 HB ILE A 149 1.579 -3.683 3.868 1.00 0.18 H new ATOM 0 HG12 ILE A 149 2.548 -4.125 1.028 1.00 0.19 H new ATOM 0 HG13 ILE A 149 0.895 -3.771 1.492 1.00 0.19 H new ATOM 0 HG21 ILE A 149 3.933 -3.036 3.516 1.00 0.19 H new ATOM 0 HG22 ILE A 149 3.799 -4.488 4.536 1.00 0.19 H new ATOM 0 HG23 ILE A 149 4.266 -4.642 2.826 1.00 0.19 H new ATOM 0 HD11 ILE A 149 2.030 -1.762 0.690 1.00 0.20 H new ATOM 0 HD12 ILE A 149 1.604 -1.595 2.411 1.00 0.20 H new ATOM 0 HD13 ILE A 149 3.283 -1.955 1.939 1.00 0.20 H new ATOM 1252 N GLU A 150 -0.209 -6.549 4.232 1.00 0.24 N ATOM 1253 CA GLU A 150 -1.639 -6.756 4.390 1.00 0.27 C ATOM 1254 C GLU A 150 -2.142 -6.064 5.648 1.00 0.24 C ATOM 1255 O GLU A 150 -1.375 -5.808 6.579 1.00 0.31 O ATOM 1256 CB GLU A 150 -1.962 -8.253 4.441 1.00 0.40 C ATOM 1257 CG GLU A 150 -1.402 -8.962 5.661 1.00 1.08 C ATOM 1258 CD GLU A 150 -1.649 -10.455 5.633 1.00 1.55 C ATOM 1259 OE1 GLU A 150 -2.817 -10.873 5.787 1.00 2.03 O ATOM 1260 OE2 GLU A 150 -0.677 -11.220 5.465 1.00 2.30 O ATOM 0 H GLU A 150 0.365 -6.997 4.946 1.00 0.24 H new ATOM 0 HA GLU A 150 -2.146 -6.321 3.529 1.00 0.27 H new ATOM 0 HB2 GLU A 150 -3.044 -8.382 4.423 1.00 0.40 H new ATOM 0 HB3 GLU A 150 -1.569 -8.730 3.543 1.00 0.40 H new ATOM 0 HG2 GLU A 150 -0.330 -8.776 5.724 1.00 1.08 H new ATOM 0 HG3 GLU A 150 -1.852 -8.540 6.560 1.00 1.08 H new ATOM 1267 N THR A 151 -3.423 -5.748 5.661 1.00 0.21 N ATOM 1268 CA THR A 151 -4.034 -5.092 6.795 1.00 0.23 C ATOM 1269 C THR A 151 -4.261 -6.081 7.930 1.00 0.24 C ATOM 1270 O THR A 151 -4.617 -7.242 7.708 1.00 0.27 O ATOM 1271 CB THR A 151 -5.368 -4.430 6.403 1.00 0.25 C ATOM 1272 OG1 THR A 151 -6.305 -5.412 5.943 1.00 0.25 O ATOM 1273 CG2 THR A 151 -5.149 -3.397 5.313 1.00 0.29 C ATOM 0 H THR A 151 -4.063 -5.938 4.890 1.00 0.21 H new ATOM 0 HA THR A 151 -3.350 -4.314 7.134 1.00 0.23 H new ATOM 0 HB THR A 151 -5.771 -3.939 7.289 1.00 0.25 H new ATOM 0 HG1 THR A 151 -7.024 -5.511 6.601 1.00 0.25 H new ATOM 0 HG21 THR A 151 -6.102 -2.939 5.049 1.00 0.29 H new ATOM 0 HG22 THR A 151 -4.465 -2.628 5.672 1.00 0.29 H new ATOM 0 HG23 THR A 151 -4.722 -3.880 4.434 1.00 0.29 H new ATOM 1281 N LYS A 152 -4.029 -5.605 9.144 1.00 0.31 N ATOM 1282 CA LYS A 152 -4.145 -6.417 10.347 1.00 0.38 C ATOM 1283 C LYS A 152 -5.594 -6.832 10.605 1.00 0.39 C ATOM 1284 O LYS A 152 -5.849 -7.864 11.225 1.00 0.51 O ATOM 1285 CB LYS A 152 -3.572 -5.624 11.527 1.00 0.48 C ATOM 1286 CG LYS A 152 -3.829 -6.235 12.895 1.00 0.80 C ATOM 1287 CD LYS A 152 -3.036 -5.521 13.981 1.00 1.02 C ATOM 1288 CE LYS A 152 -3.172 -4.002 13.900 1.00 1.99 C ATOM 1289 NZ LYS A 152 -4.590 -3.555 13.909 1.00 2.42 N ATOM 0 H LYS A 152 -3.753 -4.640 9.324 1.00 0.31 H new ATOM 0 HA LYS A 152 -3.578 -7.339 10.218 1.00 0.38 H new ATOM 0 HB2 LYS A 152 -2.496 -5.521 11.388 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -3.994 -4.619 11.509 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -4.893 -6.181 13.125 1.00 0.80 H new ATOM 0 HG3 LYS A 152 -3.559 -7.291 12.880 1.00 0.80 H new ATOM 0 HD2 LYS A 152 -3.377 -5.862 14.959 1.00 1.02 H new ATOM 0 HD3 LYS A 152 -1.984 -5.794 13.897 1.00 1.02 H new ATOM 0 HE2 LYS A 152 -2.646 -3.548 14.740 1.00 1.99 H new ATOM 0 HE3 LYS A 152 -2.688 -3.645 12.991 1.00 1.99 H new ATOM 0 HZ1 LYS A 152 -4.690 -2.731 14.535 1.00 2.42 H new ATOM 0 HZ2 LYS A 152 -4.878 -3.294 12.944 1.00 2.42 H new ATOM 0 HZ3 LYS A 152 -5.195 -4.327 14.253 1.00 2.42 H new ATOM 1303 N LYS A 153 -6.533 -6.038 10.114 1.00 0.37 N ATOM 1304 CA LYS A 153 -7.950 -6.350 10.266 1.00 0.43 C ATOM 1305 C LYS A 153 -8.674 -6.205 8.933 1.00 0.40 C ATOM 1306 O LYS A 153 -8.169 -5.562 8.008 1.00 0.40 O ATOM 1307 CB LYS A 153 -8.596 -5.433 11.314 1.00 0.51 C ATOM 1308 CG LYS A 153 -8.648 -3.962 10.920 1.00 0.57 C ATOM 1309 CD LYS A 153 -9.354 -3.133 11.982 1.00 0.66 C ATOM 1310 CE LYS A 153 -9.430 -1.661 11.602 1.00 0.69 C ATOM 1311 NZ LYS A 153 -10.263 -1.431 10.389 1.00 1.29 N ATOM 0 H LYS A 153 -6.342 -5.174 9.607 1.00 0.37 H new ATOM 0 HA LYS A 153 -8.036 -7.383 10.604 1.00 0.43 H new ATOM 0 HB2 LYS A 153 -9.611 -5.781 11.506 1.00 0.51 H new ATOM 0 HB3 LYS A 153 -8.044 -5.526 12.249 1.00 0.51 H new ATOM 0 HG2 LYS A 153 -7.635 -3.586 10.775 1.00 0.57 H new ATOM 0 HG3 LYS A 153 -9.167 -3.856 9.967 1.00 0.57 H new ATOM 0 HD2 LYS A 153 -10.362 -3.520 12.133 1.00 0.66 H new ATOM 0 HD3 LYS A 153 -8.827 -3.235 12.931 1.00 0.66 H new ATOM 0 HE2 LYS A 153 -9.843 -1.094 12.436 1.00 0.69 H new ATOM 0 HE3 LYS A 153 -8.424 -1.281 11.426 1.00 0.69 H new ATOM 0 HZ1 LYS A 153 -10.580 -0.441 10.369 1.00 1.29 H new ATOM 0 HZ2 LYS A 153 -9.700 -1.632 9.538 1.00 1.29 H new ATOM 0 HZ3 LYS A 153 -11.091 -2.060 10.412 1.00 1.29 H new ATOM 1325 N LYS A 154 -9.848 -6.820 8.839 1.00 0.43 N ATOM 1326 CA LYS A 154 -10.697 -6.674 7.665 1.00 0.44 C ATOM 1327 C LYS A 154 -11.372 -5.312 7.695 1.00 0.53 C ATOM 1328 O LYS A 154 -11.743 -4.816 8.763 1.00 0.67 O ATOM 1329 CB LYS A 154 -11.750 -7.788 7.605 1.00 0.44 C ATOM 1330 CG LYS A 154 -11.160 -9.184 7.478 1.00 0.47 C ATOM 1331 CD LYS A 154 -12.241 -10.241 7.319 1.00 0.54 C ATOM 1332 CE LYS A 154 -11.641 -11.636 7.231 1.00 0.66 C ATOM 1333 NZ LYS A 154 -12.666 -12.676 6.950 1.00 1.41 N ATOM 0 H LYS A 154 -10.233 -7.425 9.564 1.00 0.43 H new ATOM 0 HA LYS A 154 -10.076 -6.753 6.773 1.00 0.44 H new ATOM 0 HB2 LYS A 154 -12.364 -7.744 8.505 1.00 0.44 H new ATOM 0 HB3 LYS A 154 -12.411 -7.605 6.758 1.00 0.44 H new ATOM 0 HG2 LYS A 154 -10.489 -9.218 6.620 1.00 0.47 H new ATOM 0 HG3 LYS A 154 -10.560 -9.407 8.361 1.00 0.47 H new ATOM 0 HD2 LYS A 154 -12.928 -10.191 8.163 1.00 0.54 H new ATOM 0 HD3 LYS A 154 -12.824 -10.036 6.421 1.00 0.54 H new ATOM 0 HE2 LYS A 154 -10.884 -11.654 6.447 1.00 0.66 H new ATOM 0 HE3 LYS A 154 -11.136 -11.871 8.168 1.00 0.66 H new ATOM 0 HZ1 LYS A 154 -12.209 -13.609 6.899 1.00 1.41 H new ATOM 0 HZ2 LYS A 154 -13.375 -12.679 7.711 1.00 1.41 H new ATOM 0 HZ3 LYS A 154 -13.131 -12.469 6.043 1.00 1.41 H new ATOM 1347 N MET A 155 -11.526 -4.706 6.532 1.00 0.61 N ATOM 1348 CA MET A 155 -12.009 -3.337 6.456 1.00 0.76 C ATOM 1349 C MET A 155 -13.486 -3.273 6.112 1.00 0.62 C ATOM 1350 O MET A 155 -14.052 -4.206 5.536 1.00 0.57 O ATOM 1351 CB MET A 155 -11.193 -2.548 5.432 1.00 1.01 C ATOM 1352 CG MET A 155 -9.726 -2.458 5.798 1.00 1.22 C ATOM 1353 SD MET A 155 -9.478 -1.789 7.454 1.00 0.95 S ATOM 1354 CE MET A 155 -7.747 -2.148 7.696 1.00 0.80 C ATOM 0 H MET A 155 -11.325 -5.137 5.630 1.00 0.61 H new ATOM 0 HA MET A 155 -11.884 -2.889 7.442 1.00 0.76 H new ATOM 0 HB2 MET A 155 -11.291 -3.020 4.454 1.00 1.01 H new ATOM 0 HB3 MET A 155 -11.604 -1.542 5.343 1.00 1.01 H new ATOM 0 HG2 MET A 155 -9.276 -3.449 5.737 1.00 1.22 H new ATOM 0 HG3 MET A 155 -9.210 -1.829 5.073 1.00 1.22 H new ATOM 0 HE1 MET A 155 -7.638 -2.907 8.471 1.00 0.80 H new ATOM 0 HE2 MET A 155 -7.318 -2.516 6.764 1.00 0.80 H new ATOM 0 HE3 MET A 155 -7.226 -1.240 8.001 1.00 0.80 H new ATOM 1364 N LYS A 156 -14.098 -2.168 6.502 1.00 0.65 N ATOM 1365 CA LYS A 156 -15.487 -1.885 6.193 1.00 0.59 C ATOM 1366 C LYS A 156 -15.566 -1.104 4.886 1.00 0.44 C ATOM 1367 O LYS A 156 -14.548 -0.589 4.425 1.00 0.42 O ATOM 1368 CB LYS A 156 -16.118 -1.089 7.341 1.00 0.72 C ATOM 1369 CG LYS A 156 -16.354 -1.913 8.595 1.00 1.28 C ATOM 1370 CD LYS A 156 -17.408 -2.985 8.367 1.00 1.79 C ATOM 1371 CE LYS A 156 -17.666 -3.796 9.625 1.00 2.54 C ATOM 1372 NZ LYS A 156 -16.461 -4.550 10.060 1.00 3.40 N ATOM 0 H LYS A 156 -13.640 -1.437 7.046 1.00 0.65 H new ATOM 0 HA LYS A 156 -16.038 -2.818 6.076 1.00 0.59 H new ATOM 0 HB2 LYS A 156 -15.471 -0.247 7.586 1.00 0.72 H new ATOM 0 HB3 LYS A 156 -17.068 -0.674 7.005 1.00 0.72 H new ATOM 0 HG2 LYS A 156 -15.420 -2.380 8.906 1.00 1.28 H new ATOM 0 HG3 LYS A 156 -16.669 -1.259 9.408 1.00 1.28 H new ATOM 0 HD2 LYS A 156 -18.337 -2.518 8.038 1.00 1.79 H new ATOM 0 HD3 LYS A 156 -17.084 -3.649 7.566 1.00 1.79 H new ATOM 0 HE2 LYS A 156 -17.985 -3.130 10.426 1.00 2.54 H new ATOM 0 HE3 LYS A 156 -18.484 -4.493 9.445 1.00 2.54 H new ATOM 0 HZ1 LYS A 156 -16.725 -5.228 10.803 1.00 3.40 H new ATOM 0 HZ2 LYS A 156 -16.061 -5.063 9.249 1.00 3.40 H new ATOM 0 HZ3 LYS A 156 -15.752 -3.887 10.433 1.00 3.40 H new ATOM 1386 N PRO A 157 -16.758 -1.015 4.265 1.00 0.46 N ATOM 1387 CA PRO A 157 -16.956 -0.300 2.998 1.00 0.41 C ATOM 1388 C PRO A 157 -16.273 1.071 2.944 1.00 0.37 C ATOM 1389 O PRO A 157 -16.292 1.839 3.913 1.00 0.46 O ATOM 1390 CB PRO A 157 -18.480 -0.131 2.906 1.00 0.52 C ATOM 1391 CG PRO A 157 -19.026 -0.637 4.203 1.00 0.63 C ATOM 1392 CD PRO A 157 -18.015 -1.614 4.719 1.00 0.63 C ATOM 0 HA PRO A 157 -16.513 -0.857 2.172 1.00 0.41 H new ATOM 0 HB2 PRO A 157 -18.749 0.914 2.750 1.00 0.52 H new ATOM 0 HB3 PRO A 157 -18.886 -0.694 2.065 1.00 0.52 H new ATOM 0 HG2 PRO A 157 -19.176 0.180 4.909 1.00 0.63 H new ATOM 0 HG3 PRO A 157 -19.994 -1.116 4.059 1.00 0.63 H new ATOM 0 HD2 PRO A 157 -18.054 -1.708 5.804 1.00 0.63 H new ATOM 0 HD3 PRO A 157 -18.164 -2.612 4.307 1.00 0.63 H new ATOM 1400 N GLY A 158 -15.674 1.365 1.799 1.00 0.32 N ATOM 1401 CA GLY A 158 -15.019 2.635 1.589 1.00 0.33 C ATOM 1402 C GLY A 158 -13.948 2.544 0.525 1.00 0.27 C ATOM 1403 O GLY A 158 -13.793 1.503 -0.115 1.00 0.27 O ATOM 0 H GLY A 158 -15.632 0.732 1.000 1.00 0.32 H new ATOM 0 HA2 GLY A 158 -15.758 3.382 1.298 1.00 0.33 H new ATOM 0 HA3 GLY A 158 -14.574 2.974 2.525 1.00 0.33 H new ATOM 1407 N ILE A 159 -13.212 3.625 0.335 1.00 0.29 N ATOM 1408 CA ILE A 159 -12.118 3.649 -0.622 1.00 0.26 C ATOM 1409 C ILE A 159 -10.802 3.599 0.130 1.00 0.21 C ATOM 1410 O ILE A 159 -10.552 4.431 1.001 1.00 0.24 O ATOM 1411 CB ILE A 159 -12.151 4.919 -1.503 1.00 0.30 C ATOM 1412 CG1 ILE A 159 -13.503 5.049 -2.209 1.00 0.40 C ATOM 1413 CG2 ILE A 159 -11.020 4.883 -2.520 1.00 0.29 C ATOM 1414 CD1 ILE A 159 -13.691 6.366 -2.929 1.00 0.44 C ATOM 0 H ILE A 159 -13.353 4.503 0.834 1.00 0.29 H new ATOM 0 HA ILE A 159 -12.223 2.784 -1.277 1.00 0.26 H new ATOM 0 HB ILE A 159 -12.015 5.790 -0.862 1.00 0.30 H new ATOM 0 HG12 ILE A 159 -13.608 4.235 -2.926 1.00 0.40 H new ATOM 0 HG13 ILE A 159 -14.299 4.930 -1.474 1.00 0.40 H new ATOM 0 HG21 ILE A 159 -11.054 5.783 -3.134 1.00 0.29 H new ATOM 0 HG22 ILE A 159 -10.064 4.835 -1.999 1.00 0.29 H new ATOM 0 HG23 ILE A 159 -11.131 4.005 -3.156 1.00 0.29 H new ATOM 0 HD11 ILE A 159 -14.672 6.384 -3.405 1.00 0.44 H new ATOM 0 HD12 ILE A 159 -13.620 7.185 -2.214 1.00 0.44 H new ATOM 0 HD13 ILE A 159 -12.917 6.479 -3.688 1.00 0.44 H new ATOM 1426 N TYR A 160 -9.968 2.625 -0.182 1.00 0.18 N ATOM 1427 CA TYR A 160 -8.715 2.464 0.532 1.00 0.17 C ATOM 1428 C TYR A 160 -7.556 2.343 -0.434 1.00 0.16 C ATOM 1429 O TYR A 160 -7.730 1.931 -1.580 1.00 0.19 O ATOM 1430 CB TYR A 160 -8.764 1.232 1.441 1.00 0.21 C ATOM 1431 CG TYR A 160 -9.870 1.270 2.476 1.00 0.23 C ATOM 1432 CD1 TYR A 160 -9.645 1.776 3.751 1.00 1.20 C ATOM 1433 CD2 TYR A 160 -11.142 0.797 2.175 1.00 1.24 C ATOM 1434 CE1 TYR A 160 -10.656 1.809 4.692 1.00 1.23 C ATOM 1435 CE2 TYR A 160 -12.154 0.830 3.111 1.00 1.24 C ATOM 1436 CZ TYR A 160 -11.907 1.335 4.367 1.00 0.35 C ATOM 1437 OH TYR A 160 -12.918 1.371 5.298 1.00 0.43 O ATOM 0 H TYR A 160 -10.133 1.939 -0.918 1.00 0.18 H new ATOM 0 HA TYR A 160 -8.566 3.351 1.148 1.00 0.17 H new ATOM 0 HB2 TYR A 160 -8.890 0.343 0.823 1.00 0.21 H new ATOM 0 HB3 TYR A 160 -7.806 1.132 1.952 1.00 0.21 H new ATOM 0 HD1 TYR A 160 -8.665 2.149 4.010 1.00 1.20 H new ATOM 0 HD2 TYR A 160 -11.341 0.397 1.192 1.00 1.24 H new ATOM 0 HE1 TYR A 160 -10.466 2.205 5.679 1.00 1.23 H new ATOM 0 HE2 TYR A 160 -13.137 0.461 2.859 1.00 1.24 H new ATOM 0 HH TYR A 160 -13.661 0.807 4.996 1.00 0.43 H new ATOM 1447 N ALA A 161 -6.378 2.718 0.033 1.00 0.14 N ATOM 1448 CA ALA A 161 -5.162 2.592 -0.746 1.00 0.14 C ATOM 1449 C ALA A 161 -3.955 2.562 0.175 1.00 0.14 C ATOM 1450 O ALA A 161 -4.005 3.072 1.299 1.00 0.14 O ATOM 1451 CB ALA A 161 -5.038 3.735 -1.741 1.00 0.14 C ATOM 0 H ALA A 161 -6.239 3.117 0.961 1.00 0.14 H new ATOM 0 HA ALA A 161 -5.205 1.657 -1.305 1.00 0.14 H new ATOM 0 HB1 ALA A 161 -4.118 3.620 -2.315 1.00 0.14 H new ATOM 0 HB2 ALA A 161 -5.892 3.722 -2.418 1.00 0.14 H new ATOM 0 HB3 ALA A 161 -5.015 4.684 -1.204 1.00 0.14 H new ATOM 1457 N PHE A 162 -2.880 1.958 -0.297 1.00 0.14 N ATOM 1458 CA PHE A 162 -1.650 1.878 0.471 1.00 0.15 C ATOM 1459 C PHE A 162 -0.680 2.951 0.019 1.00 0.15 C ATOM 1460 O PHE A 162 -0.399 3.081 -1.172 1.00 0.15 O ATOM 1461 CB PHE A 162 -0.992 0.504 0.317 1.00 0.17 C ATOM 1462 CG PHE A 162 -1.743 -0.613 0.985 1.00 0.18 C ATOM 1463 CD1 PHE A 162 -1.475 -0.950 2.301 1.00 1.13 C ATOM 1464 CD2 PHE A 162 -2.711 -1.329 0.298 1.00 1.15 C ATOM 1465 CE1 PHE A 162 -2.156 -1.979 2.921 1.00 1.13 C ATOM 1466 CE2 PHE A 162 -3.395 -2.357 0.915 1.00 1.16 C ATOM 1467 CZ PHE A 162 -3.117 -2.683 2.227 1.00 0.24 C ATOM 0 H PHE A 162 -2.834 1.513 -1.214 1.00 0.14 H new ATOM 0 HA PHE A 162 -1.902 2.030 1.521 1.00 0.15 H new ATOM 0 HB2 PHE A 162 -0.893 0.277 -0.745 1.00 0.17 H new ATOM 0 HB3 PHE A 162 0.016 0.547 0.729 1.00 0.17 H new ATOM 0 HD1 PHE A 162 -0.724 -0.401 2.850 1.00 1.13 H new ATOM 0 HD2 PHE A 162 -2.932 -1.080 -0.729 1.00 1.15 H new ATOM 0 HE1 PHE A 162 -1.936 -2.232 3.948 1.00 1.13 H new ATOM 0 HE2 PHE A 162 -4.148 -2.907 0.371 1.00 1.16 H new ATOM 0 HZ PHE A 162 -3.651 -3.488 2.709 1.00 0.24 H new ATOM 1477 N LYS A 163 -0.186 3.726 0.968 1.00 0.16 N ATOM 1478 CA LYS A 163 0.809 4.741 0.677 1.00 0.18 C ATOM 1479 C LYS A 163 2.142 4.332 1.270 1.00 0.20 C ATOM 1480 O LYS A 163 2.325 4.372 2.488 1.00 0.23 O ATOM 1481 CB LYS A 163 0.398 6.109 1.241 1.00 0.23 C ATOM 1482 CG LYS A 163 1.424 7.207 0.965 1.00 0.31 C ATOM 1483 CD LYS A 163 1.032 8.533 1.615 1.00 0.45 C ATOM 1484 CE LYS A 163 2.156 9.558 1.526 1.00 0.74 C ATOM 1485 NZ LYS A 163 1.785 10.852 2.157 1.00 1.28 N ATOM 0 H LYS A 163 -0.459 3.671 1.949 1.00 0.16 H new ATOM 0 HA LYS A 163 0.892 4.830 -0.406 1.00 0.18 H new ATOM 0 HB2 LYS A 163 -0.560 6.399 0.810 1.00 0.23 H new ATOM 0 HB3 LYS A 163 0.250 6.021 2.317 1.00 0.23 H new ATOM 0 HG2 LYS A 163 2.399 6.894 1.339 1.00 0.31 H new ATOM 0 HG3 LYS A 163 1.525 7.347 -0.111 1.00 0.31 H new ATOM 0 HD2 LYS A 163 0.140 8.928 1.128 1.00 0.45 H new ATOM 0 HD3 LYS A 163 0.776 8.364 2.661 1.00 0.45 H new ATOM 0 HE2 LYS A 163 3.047 9.161 2.012 1.00 0.74 H new ATOM 0 HE3 LYS A 163 2.411 9.726 0.480 1.00 0.74 H new ATOM 0 HZ1 LYS A 163 2.596 11.502 2.119 1.00 1.28 H new ATOM 0 HZ2 LYS A 163 0.982 11.270 1.646 1.00 1.28 H new ATOM 0 HZ3 LYS A 163 1.518 10.690 3.149 1.00 1.28 H new ATOM 1499 N VAL A 164 3.055 3.909 0.418 1.00 0.22 N ATOM 1500 CA VAL A 164 4.408 3.620 0.850 1.00 0.26 C ATOM 1501 C VAL A 164 5.293 4.797 0.465 1.00 0.33 C ATOM 1502 O VAL A 164 5.188 5.316 -0.646 1.00 0.34 O ATOM 1503 CB VAL A 164 4.948 2.293 0.243 1.00 0.28 C ATOM 1504 CG1 VAL A 164 3.954 1.163 0.465 1.00 0.27 C ATOM 1505 CG2 VAL A 164 5.268 2.428 -1.238 1.00 0.29 C ATOM 0 H VAL A 164 2.885 3.758 -0.576 1.00 0.22 H new ATOM 0 HA VAL A 164 4.414 3.482 1.931 1.00 0.26 H new ATOM 0 HB VAL A 164 5.879 2.059 0.759 1.00 0.28 H new ATOM 0 HG11 VAL A 164 4.348 0.242 0.034 1.00 0.27 H new ATOM 0 HG12 VAL A 164 3.794 1.024 1.534 1.00 0.27 H new ATOM 0 HG13 VAL A 164 3.007 1.412 -0.014 1.00 0.27 H new ATOM 0 HG21 VAL A 164 5.642 1.477 -1.618 1.00 0.29 H new ATOM 0 HG22 VAL A 164 4.365 2.706 -1.781 1.00 0.29 H new ATOM 0 HG23 VAL A 164 6.027 3.198 -1.378 1.00 0.29 H new ATOM 1515 N TYR A 165 6.116 5.273 1.384 1.00 0.45 N ATOM 1516 CA TYR A 165 6.963 6.411 1.075 1.00 0.57 C ATOM 1517 C TYR A 165 8.390 6.206 1.555 1.00 0.70 C ATOM 1518 O TYR A 165 8.892 6.949 2.398 1.00 1.67 O ATOM 1519 CB TYR A 165 6.364 7.729 1.599 1.00 0.62 C ATOM 1520 CG TYR A 165 5.935 7.744 3.057 1.00 0.63 C ATOM 1521 CD1 TYR A 165 6.791 8.208 4.050 1.00 1.30 C ATOM 1522 CD2 TYR A 165 4.658 7.337 3.433 1.00 1.38 C ATOM 1523 CE1 TYR A 165 6.390 8.265 5.371 1.00 1.31 C ATOM 1524 CE2 TYR A 165 4.254 7.385 4.755 1.00 1.45 C ATOM 1525 CZ TYR A 165 5.122 7.850 5.717 1.00 0.79 C ATOM 1526 OH TYR A 165 4.713 7.924 7.029 1.00 0.93 O ATOM 0 H TYR A 165 6.215 4.900 2.328 1.00 0.45 H new ATOM 0 HA TYR A 165 7.005 6.489 -0.011 1.00 0.57 H new ATOM 0 HB2 TYR A 165 7.098 8.521 1.451 1.00 0.62 H new ATOM 0 HB3 TYR A 165 5.498 7.978 0.986 1.00 0.62 H new ATOM 0 HD1 TYR A 165 7.787 8.530 3.784 1.00 1.30 H new ATOM 0 HD2 TYR A 165 3.972 6.978 2.680 1.00 1.38 H new ATOM 0 HE1 TYR A 165 7.066 8.633 6.128 1.00 1.31 H new ATOM 0 HE2 TYR A 165 3.262 7.059 5.031 1.00 1.45 H new ATOM 0 HH TYR A 165 3.736 7.866 7.071 1.00 0.93 H new ATOM 1536 N LYS A 166 9.032 5.183 0.992 1.00 0.48 N ATOM 1537 CA LYS A 166 10.457 4.938 1.197 1.00 0.49 C ATOM 1538 C LYS A 166 10.745 4.424 2.615 1.00 0.46 C ATOM 1539 O LYS A 166 9.853 4.404 3.467 1.00 0.55 O ATOM 1540 CB LYS A 166 11.248 6.223 0.874 1.00 0.57 C ATOM 1541 CG LYS A 166 11.132 6.647 -0.586 1.00 0.71 C ATOM 1542 CD LYS A 166 11.774 5.630 -1.517 1.00 0.94 C ATOM 1543 CE LYS A 166 13.282 5.794 -1.575 1.00 1.35 C ATOM 1544 NZ LYS A 166 13.672 7.057 -2.257 1.00 1.53 N ATOM 0 H LYS A 166 8.579 4.502 0.382 1.00 0.48 H new ATOM 0 HA LYS A 166 10.783 4.150 0.518 1.00 0.49 H new ATOM 0 HB2 LYS A 166 10.890 7.032 1.510 1.00 0.57 H new ATOM 0 HB3 LYS A 166 12.299 6.066 1.118 1.00 0.57 H new ATOM 0 HG2 LYS A 166 10.081 6.768 -0.848 1.00 0.71 H new ATOM 0 HG3 LYS A 166 11.608 7.618 -0.723 1.00 0.71 H new ATOM 0 HD2 LYS A 166 11.530 4.623 -1.179 1.00 0.94 H new ATOM 0 HD3 LYS A 166 11.357 5.740 -2.518 1.00 0.94 H new ATOM 0 HE2 LYS A 166 13.688 5.786 -0.564 1.00 1.35 H new ATOM 0 HE3 LYS A 166 13.720 4.946 -2.101 1.00 1.35 H new ATOM 0 HZ1 LYS A 166 14.658 6.987 -2.580 1.00 1.53 H new ATOM 0 HZ2 LYS A 166 13.050 7.216 -3.075 1.00 1.53 H new ATOM 0 HZ3 LYS A 166 13.581 7.852 -1.593 1.00 1.53 H new ATOM 1558 N PRO A 167 11.979 3.941 2.876 1.00 0.44 N ATOM 1559 CA PRO A 167 12.362 3.441 4.203 1.00 0.47 C ATOM 1560 C PRO A 167 12.252 4.507 5.284 1.00 0.47 C ATOM 1561 O PRO A 167 12.642 5.658 5.079 1.00 0.50 O ATOM 1562 CB PRO A 167 13.824 3.017 4.022 1.00 0.58 C ATOM 1563 CG PRO A 167 13.974 2.795 2.560 1.00 0.60 C ATOM 1564 CD PRO A 167 13.088 3.814 1.911 1.00 0.49 C ATOM 0 HA PRO A 167 11.707 2.634 4.532 1.00 0.47 H new ATOM 0 HB2 PRO A 167 14.507 3.788 4.378 1.00 0.58 H new ATOM 0 HB3 PRO A 167 14.046 2.111 4.585 1.00 0.58 H new ATOM 0 HG2 PRO A 167 15.011 2.920 2.248 1.00 0.60 H new ATOM 0 HG3 PRO A 167 13.677 1.783 2.284 1.00 0.60 H new ATOM 0 HD2 PRO A 167 13.604 4.762 1.760 1.00 0.49 H new ATOM 0 HD3 PRO A 167 12.738 3.483 0.933 1.00 0.49 H new ATOM 1572 N ALA A 168 11.713 4.110 6.433 1.00 0.53 N ATOM 1573 CA ALA A 168 11.578 5.005 7.572 1.00 0.64 C ATOM 1574 C ALA A 168 12.936 5.588 7.956 1.00 0.71 C ATOM 1575 O ALA A 168 13.914 4.852 8.109 1.00 0.76 O ATOM 1576 CB ALA A 168 10.958 4.272 8.751 1.00 0.72 C ATOM 0 H ALA A 168 11.361 3.167 6.598 1.00 0.53 H new ATOM 0 HA ALA A 168 10.919 5.826 7.292 1.00 0.64 H new ATOM 0 HB1 ALA A 168 10.864 4.955 9.595 1.00 0.72 H new ATOM 0 HB2 ALA A 168 9.972 3.902 8.471 1.00 0.72 H new ATOM 0 HB3 ALA A 168 11.594 3.433 9.033 1.00 0.72 H new ATOM 1582 N GLY A 169 12.991 6.904 8.100 1.00 0.82 N ATOM 1583 CA GLY A 169 14.252 7.572 8.353 1.00 0.95 C ATOM 1584 C GLY A 169 14.676 8.419 7.171 1.00 0.96 C ATOM 1585 O GLY A 169 15.441 9.375 7.317 1.00 1.14 O ATOM 0 H GLY A 169 12.182 7.523 8.046 1.00 0.82 H new ATOM 0 HA2 GLY A 169 14.161 8.201 9.239 1.00 0.95 H new ATOM 0 HA3 GLY A 169 15.022 6.830 8.566 1.00 0.95 H new ATOM 1589 N TYR A 170 14.177 8.064 5.996 1.00 0.80 N ATOM 1590 CA TYR A 170 14.438 8.831 4.790 1.00 0.82 C ATOM 1591 C TYR A 170 13.518 10.051 4.760 1.00 0.86 C ATOM 1592 O TYR A 170 12.311 9.916 4.970 1.00 0.89 O ATOM 1593 CB TYR A 170 14.198 7.953 3.553 1.00 0.83 C ATOM 1594 CG TYR A 170 14.673 8.570 2.251 1.00 0.91 C ATOM 1595 CD1 TYR A 170 13.882 9.479 1.554 1.00 1.15 C ATOM 1596 CD2 TYR A 170 15.913 8.239 1.716 1.00 1.74 C ATOM 1597 CE1 TYR A 170 14.315 10.039 0.368 1.00 1.21 C ATOM 1598 CE2 TYR A 170 16.350 8.798 0.531 1.00 1.82 C ATOM 1599 CZ TYR A 170 15.548 9.696 -0.137 1.00 1.11 C ATOM 1600 OH TYR A 170 15.980 10.254 -1.318 1.00 1.24 O ATOM 0 H TYR A 170 13.586 7.245 5.853 1.00 0.80 H new ATOM 0 HA TYR A 170 15.476 9.164 4.784 1.00 0.82 H new ATOM 0 HB2 TYR A 170 14.704 6.998 3.695 1.00 0.83 H new ATOM 0 HB3 TYR A 170 13.132 7.740 3.474 1.00 0.83 H new ATOM 0 HD1 TYR A 170 12.914 9.751 1.947 1.00 1.15 H new ATOM 0 HD2 TYR A 170 16.545 7.533 2.235 1.00 1.74 H new ATOM 0 HE1 TYR A 170 13.689 10.743 -0.160 1.00 1.21 H new ATOM 0 HE2 TYR A 170 17.317 8.532 0.130 1.00 1.82 H new ATOM 0 HH TYR A 170 16.871 9.909 -1.536 1.00 1.24 H new ATOM 1666 N THR A 176 8.272 11.183 -2.468 1.00 0.64 N ATOM 1667 CA THR A 176 8.810 9.877 -2.116 1.00 0.90 C ATOM 1668 C THR A 176 7.697 8.853 -1.944 1.00 0.80 C ATOM 1669 O THR A 176 7.940 7.713 -1.551 1.00 1.05 O ATOM 1670 CB THR A 176 9.617 9.951 -0.807 1.00 1.30 C ATOM 1671 OG1 THR A 176 8.844 10.607 0.209 1.00 1.49 O ATOM 1672 CG2 THR A 176 10.928 10.688 -1.014 1.00 1.76 C ATOM 0 HA THR A 176 9.463 9.569 -2.933 1.00 0.90 H new ATOM 0 HB THR A 176 9.844 8.933 -0.490 1.00 1.30 H new ATOM 0 HG1 THR A 176 8.325 11.334 -0.193 1.00 1.49 H new ATOM 0 HG21 THR A 176 11.477 10.725 -0.073 1.00 1.76 H new ATOM 0 HG22 THR A 176 11.525 10.166 -1.762 1.00 1.76 H new ATOM 0 HG23 THR A 176 10.725 11.703 -1.356 1.00 1.76 H new ATOM 1680 N PHE A 177 6.477 9.266 -2.248 1.00 0.52 N ATOM 1681 CA PHE A 177 5.310 8.442 -1.988 1.00 0.45 C ATOM 1682 C PHE A 177 4.897 7.648 -3.220 1.00 0.41 C ATOM 1683 O PHE A 177 5.097 8.085 -4.354 1.00 0.50 O ATOM 1684 CB PHE A 177 4.137 9.309 -1.503 1.00 0.49 C ATOM 1685 CG PHE A 177 3.758 10.431 -2.440 1.00 0.55 C ATOM 1686 CD1 PHE A 177 4.304 11.698 -2.285 1.00 1.37 C ATOM 1687 CD2 PHE A 177 2.848 10.223 -3.469 1.00 1.31 C ATOM 1688 CE1 PHE A 177 3.953 12.728 -3.136 1.00 1.46 C ATOM 1689 CE2 PHE A 177 2.497 11.251 -4.322 1.00 1.38 C ATOM 1690 CZ PHE A 177 3.049 12.504 -4.154 1.00 0.86 C ATOM 0 H PHE A 177 6.270 10.169 -2.676 1.00 0.52 H new ATOM 0 HA PHE A 177 5.578 7.732 -1.205 1.00 0.45 H new ATOM 0 HB2 PHE A 177 3.267 8.670 -1.352 1.00 0.49 H new ATOM 0 HB3 PHE A 177 4.393 9.734 -0.532 1.00 0.49 H new ATOM 0 HD1 PHE A 177 5.012 11.881 -1.490 1.00 1.37 H new ATOM 0 HD2 PHE A 177 2.410 9.245 -3.604 1.00 1.31 H new ATOM 0 HE1 PHE A 177 4.386 13.709 -3.004 1.00 1.46 H new ATOM 0 HE2 PHE A 177 1.791 11.074 -5.120 1.00 1.38 H new ATOM 0 HZ PHE A 177 2.774 13.309 -4.819 1.00 0.86 H new ATOM 1700 N GLU A 178 4.344 6.469 -2.980 1.00 0.34 N ATOM 1701 CA GLU A 178 3.749 5.663 -4.026 1.00 0.32 C ATOM 1702 C GLU A 178 2.436 5.080 -3.520 1.00 0.28 C ATOM 1703 O GLU A 178 2.392 4.461 -2.450 1.00 0.28 O ATOM 1704 CB GLU A 178 4.702 4.541 -4.457 1.00 0.37 C ATOM 1705 CG GLU A 178 4.167 3.693 -5.601 1.00 0.40 C ATOM 1706 CD GLU A 178 3.908 4.497 -6.860 1.00 1.20 C ATOM 1707 OE1 GLU A 178 4.724 4.414 -7.805 1.00 1.91 O ATOM 1708 OE2 GLU A 178 2.890 5.212 -6.918 1.00 1.96 O ATOM 0 H GLU A 178 4.297 6.047 -2.053 1.00 0.34 H new ATOM 0 HA GLU A 178 3.558 6.291 -4.896 1.00 0.32 H new ATOM 0 HB2 GLU A 178 5.654 4.979 -4.755 1.00 0.37 H new ATOM 0 HB3 GLU A 178 4.902 3.897 -3.601 1.00 0.37 H new ATOM 0 HG2 GLU A 178 4.881 2.899 -5.823 1.00 0.40 H new ATOM 0 HG3 GLU A 178 3.241 3.211 -5.287 1.00 0.40 H new ATOM 1715 N TRP A 179 1.370 5.298 -4.272 1.00 0.28 N ATOM 1716 CA TRP A 179 0.056 4.813 -3.888 1.00 0.26 C ATOM 1717 C TRP A 179 -0.300 3.546 -4.644 1.00 0.27 C ATOM 1718 O TRP A 179 0.022 3.400 -5.823 1.00 0.38 O ATOM 1719 CB TRP A 179 -1.024 5.857 -4.179 1.00 0.27 C ATOM 1720 CG TRP A 179 -1.039 7.035 -3.254 1.00 0.27 C ATOM 1721 CD1 TRP A 179 -0.482 8.259 -3.477 1.00 0.32 C ATOM 1722 CD2 TRP A 179 -1.670 7.108 -1.970 1.00 0.24 C ATOM 1723 NE1 TRP A 179 -0.737 9.091 -2.416 1.00 0.32 N ATOM 1724 CE2 TRP A 179 -1.460 8.410 -1.479 1.00 0.27 C ATOM 1725 CE3 TRP A 179 -2.395 6.204 -1.187 1.00 0.20 C ATOM 1726 CZ2 TRP A 179 -1.948 8.832 -0.248 1.00 0.27 C ATOM 1727 CZ3 TRP A 179 -2.877 6.624 0.037 1.00 0.21 C ATOM 1728 CH2 TRP A 179 -2.654 7.929 0.495 1.00 0.24 C ATOM 0 H TRP A 179 1.390 5.809 -5.154 1.00 0.28 H new ATOM 0 HA TRP A 179 0.096 4.609 -2.818 1.00 0.26 H new ATOM 0 HB2 TRP A 179 -0.892 6.218 -5.199 1.00 0.27 H new ATOM 0 HB3 TRP A 179 -1.998 5.370 -4.137 1.00 0.27 H new ATOM 0 HD1 TRP A 179 0.078 8.534 -4.359 1.00 0.32 H new ATOM 0 HE1 TRP A 179 -0.435 10.062 -2.340 1.00 0.32 H new ATOM 0 HE3 TRP A 179 -2.574 5.197 -1.533 1.00 0.20 H new ATOM 0 HZ2 TRP A 179 -1.775 9.837 0.108 1.00 0.27 H new ATOM 0 HZ3 TRP A 179 -3.436 5.934 0.652 1.00 0.21 H new ATOM 0 HH2 TRP A 179 -3.048 8.227 1.455 1.00 0.24 H new ATOM 1739 N SER A 180 -0.965 2.635 -3.962 1.00 0.23 N ATOM 1740 CA SER A 180 -1.574 1.498 -4.625 1.00 0.28 C ATOM 1741 C SER A 180 -2.881 1.970 -5.255 1.00 0.28 C ATOM 1742 O SER A 180 -3.452 2.972 -4.816 1.00 0.36 O ATOM 1743 CB SER A 180 -1.832 0.364 -3.626 1.00 0.33 C ATOM 1744 OG SER A 180 -2.132 -0.849 -4.293 1.00 1.06 O ATOM 0 H SER A 180 -1.098 2.659 -2.951 1.00 0.23 H new ATOM 0 HA SER A 180 -0.906 1.108 -5.393 1.00 0.28 H new ATOM 0 HB2 SER A 180 -0.955 0.227 -2.993 1.00 0.33 H new ATOM 0 HB3 SER A 180 -2.659 0.635 -2.970 1.00 0.33 H new ATOM 0 HG SER A 180 -3.055 -1.112 -4.094 1.00 1.06 H new ATOM 1750 N GLU A 181 -3.340 1.278 -6.288 1.00 0.31 N ATOM 1751 CA GLU A 181 -4.560 1.677 -6.979 1.00 0.38 C ATOM 1752 C GLU A 181 -5.759 1.500 -6.056 1.00 0.34 C ATOM 1753 O GLU A 181 -6.046 0.389 -5.621 1.00 0.49 O ATOM 1754 CB GLU A 181 -4.743 0.869 -8.265 1.00 0.56 C ATOM 1755 CG GLU A 181 -3.605 1.050 -9.261 1.00 0.74 C ATOM 1756 CD GLU A 181 -3.333 2.507 -9.567 1.00 1.38 C ATOM 1757 OE1 GLU A 181 -2.375 3.071 -8.997 1.00 2.12 O ATOM 1758 OE2 GLU A 181 -4.076 3.098 -10.378 1.00 1.91 O ATOM 0 H GLU A 181 -2.891 0.443 -6.665 1.00 0.31 H new ATOM 0 HA GLU A 181 -4.480 2.729 -7.253 1.00 0.38 H new ATOM 0 HB2 GLU A 181 -4.830 -0.188 -8.012 1.00 0.56 H new ATOM 0 HB3 GLU A 181 -5.680 1.161 -8.739 1.00 0.56 H new ATOM 0 HG2 GLU A 181 -2.701 0.590 -8.863 1.00 0.74 H new ATOM 0 HG3 GLU A 181 -3.848 0.527 -10.186 1.00 0.74 H new ATOM 1765 N PRO A 182 -6.481 2.595 -5.768 1.00 0.29 N ATOM 1766 CA PRO A 182 -7.500 2.621 -4.717 1.00 0.26 C ATOM 1767 C PRO A 182 -8.575 1.556 -4.904 1.00 0.28 C ATOM 1768 O PRO A 182 -9.353 1.600 -5.863 1.00 0.32 O ATOM 1769 CB PRO A 182 -8.113 4.026 -4.823 1.00 0.29 C ATOM 1770 CG PRO A 182 -7.685 4.553 -6.152 1.00 0.35 C ATOM 1771 CD PRO A 182 -6.380 3.882 -6.471 1.00 0.39 C ATOM 0 HA PRO A 182 -7.062 2.408 -3.742 1.00 0.26 H new ATOM 0 HB2 PRO A 182 -9.200 3.986 -4.749 1.00 0.29 H new ATOM 0 HB3 PRO A 182 -7.762 4.668 -4.015 1.00 0.29 H new ATOM 0 HG2 PRO A 182 -8.431 4.334 -6.916 1.00 0.35 H new ATOM 0 HG3 PRO A 182 -7.568 5.636 -6.121 1.00 0.35 H new ATOM 0 HD2 PRO A 182 -6.250 3.745 -7.544 1.00 0.39 H new ATOM 0 HD3 PRO A 182 -5.530 4.467 -6.119 1.00 0.39 H new ATOM 1779 N MET A 183 -8.610 0.600 -3.986 1.00 0.28 N ATOM 1780 CA MET A 183 -9.634 -0.425 -3.999 1.00 0.30 C ATOM 1781 C MET A 183 -10.857 0.073 -3.256 1.00 0.26 C ATOM 1782 O MET A 183 -10.748 0.677 -2.185 1.00 0.25 O ATOM 1783 CB MET A 183 -9.138 -1.747 -3.391 1.00 0.34 C ATOM 1784 CG MET A 183 -8.453 -1.613 -2.040 1.00 0.29 C ATOM 1785 SD MET A 183 -6.766 -0.991 -2.178 1.00 0.31 S ATOM 1786 CE MET A 183 -6.275 -0.962 -0.463 1.00 0.27 C ATOM 0 H MET A 183 -7.938 0.516 -3.223 1.00 0.28 H new ATOM 0 HA MET A 183 -9.892 -0.630 -5.038 1.00 0.30 H new ATOM 0 HB2 MET A 183 -9.987 -2.423 -3.286 1.00 0.34 H new ATOM 0 HB3 MET A 183 -8.443 -2.213 -4.090 1.00 0.34 H new ATOM 0 HG2 MET A 183 -9.033 -0.942 -1.407 1.00 0.29 H new ATOM 0 HG3 MET A 183 -8.439 -2.584 -1.546 1.00 0.29 H new ATOM 0 HE1 MET A 183 -5.308 -0.468 -0.370 1.00 0.27 H new ATOM 0 HE2 MET A 183 -7.018 -0.418 0.119 1.00 0.27 H new ATOM 0 HE3 MET A 183 -6.198 -1.983 -0.089 1.00 0.27 H new ATOM 1796 N ARG A 184 -12.016 -0.170 -3.829 1.00 0.28 N ATOM 1797 CA ARG A 184 -13.247 0.346 -3.280 1.00 0.29 C ATOM 1798 C ARG A 184 -14.126 -0.794 -2.808 1.00 0.31 C ATOM 1799 O ARG A 184 -14.698 -1.531 -3.614 1.00 0.39 O ATOM 1800 CB ARG A 184 -13.973 1.178 -4.333 1.00 0.35 C ATOM 1801 CG ARG A 184 -15.123 2.004 -3.793 1.00 1.17 C ATOM 1802 CD ARG A 184 -15.828 2.759 -4.909 1.00 1.16 C ATOM 1803 NE ARG A 184 -14.887 3.449 -5.797 1.00 1.88 N ATOM 1804 CZ ARG A 184 -15.255 4.334 -6.722 1.00 2.24 C ATOM 1805 NH1 ARG A 184 -16.532 4.673 -6.851 1.00 1.94 N ATOM 1806 NH2 ARG A 184 -14.347 4.873 -7.528 1.00 3.32 N ATOM 0 H ARG A 184 -12.130 -0.724 -4.678 1.00 0.28 H new ATOM 0 HA ARG A 184 -13.018 0.982 -2.425 1.00 0.29 H new ATOM 0 HB2 ARG A 184 -13.255 1.845 -4.810 1.00 0.35 H new ATOM 0 HB3 ARG A 184 -14.352 0.511 -5.107 1.00 0.35 H new ATOM 0 HG2 ARG A 184 -15.834 1.353 -3.284 1.00 1.17 H new ATOM 0 HG3 ARG A 184 -14.750 2.710 -3.051 1.00 1.17 H new ATOM 0 HD2 ARG A 184 -16.429 2.062 -5.492 1.00 1.16 H new ATOM 0 HD3 ARG A 184 -16.514 3.486 -4.475 1.00 1.16 H new ATOM 0 HE ARG A 184 -13.893 3.239 -5.701 1.00 1.88 H new ATOM 0 HH11 ARG A 184 -17.235 4.255 -6.241 1.00 1.94 H new ATOM 0 HH12 ARG A 184 -16.811 5.351 -7.560 1.00 1.94 H new ATOM 0 HH21 ARG A 184 -13.366 4.609 -7.439 1.00 3.32 H new ATOM 0 HH22 ARG A 184 -14.631 5.550 -8.236 1.00 3.32 H new ATOM 1820 N LEU A 185 -14.213 -0.946 -1.503 1.00 0.28 N ATOM 1821 CA LEU A 185 -15.055 -1.966 -0.917 1.00 0.32 C ATOM 1822 C LEU A 185 -16.431 -1.384 -0.675 1.00 0.36 C ATOM 1823 O LEU A 185 -16.583 -0.401 0.043 1.00 0.51 O ATOM 1824 CB LEU A 185 -14.466 -2.503 0.398 1.00 0.36 C ATOM 1825 CG LEU A 185 -13.313 -3.513 0.266 1.00 0.46 C ATOM 1826 CD1 LEU A 185 -12.085 -2.888 -0.380 1.00 0.75 C ATOM 1827 CD2 LEU A 185 -12.957 -4.083 1.631 1.00 0.74 C ATOM 0 H LEU A 185 -13.709 -0.373 -0.826 1.00 0.28 H new ATOM 0 HA LEU A 185 -15.118 -2.806 -1.609 1.00 0.32 H new ATOM 0 HB2 LEU A 185 -14.113 -1.656 0.986 1.00 0.36 H new ATOM 0 HB3 LEU A 185 -15.269 -2.973 0.966 1.00 0.36 H new ATOM 0 HG LEU A 185 -13.652 -4.319 -0.384 1.00 0.46 H new ATOM 0 HD11 LEU A 185 -11.294 -3.634 -0.455 1.00 0.75 H new ATOM 0 HD12 LEU A 185 -12.341 -2.529 -1.377 1.00 0.75 H new ATOM 0 HD13 LEU A 185 -11.739 -2.052 0.228 1.00 0.75 H new ATOM 0 HD21 LEU A 185 -12.140 -4.797 1.525 1.00 0.74 H new ATOM 0 HD22 LEU A 185 -12.649 -3.274 2.294 1.00 0.74 H new ATOM 0 HD23 LEU A 185 -13.827 -4.587 2.053 1.00 0.74 H new