USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 513 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 98 SER OG : rot 63:sc= 0.358 USER MOD Set 1.2: A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= -1.17! USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0.215 K(o=0.21,f=-2.5!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -129:sc= -12! (180deg=-15.2!) USER MOD Single : A 122 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.6!) USER MOD Single : A 124 THR OG1 : rot -87:sc= 1.27 USER MOD Single : A 127 THR OG1 : rot 67:sc= 1.12 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -114:sc= -4.27 (180deg=-9.16!) USER MOD Single : A 138 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.28) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.689 K(o=-0.69,f=-2.6!) USER MOD Single : A 144 ASN : amide:sc= -1.27! C(o=-1.3!,f=-3!) USER MOD Single : A 157 MET CE :methyl 162:sc= -0.657 (180deg=-2.19!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 7.924 4.493 0.536 1.00 1.27 N ATOM 28 CA LYS A 92 7.486 3.132 0.112 1.00 1.47 C ATOM 29 C LYS A 92 5.965 3.007 0.236 1.00 1.40 C ATOM 30 O LYS A 92 5.236 3.202 -0.716 1.00 1.56 O ATOM 31 CB LYS A 92 8.179 2.173 1.079 1.00 1.61 C ATOM 32 CG LYS A 92 9.319 1.451 0.357 1.00 1.94 C ATOM 33 CD LYS A 92 8.842 0.072 -0.104 1.00 2.31 C ATOM 34 CE LYS A 92 9.613 -1.015 0.649 1.00 2.59 C ATOM 35 NZ LYS A 92 8.955 -2.293 0.258 1.00 3.20 N ATOM 0 HA LYS A 92 7.742 2.920 -0.926 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.568 2.723 1.936 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.462 1.448 1.464 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.650 2.038 -0.500 1.00 1.94 H new ATOM 0 HG3 LYS A 92 10.176 1.347 1.022 1.00 1.94 H new ATOM 0 HD2 LYS A 92 7.773 -0.034 0.078 1.00 2.31 H new ATOM 0 HD3 LYS A 92 8.995 -0.037 -1.178 1.00 2.31 H new ATOM 0 HE2 LYS A 92 10.668 -1.014 0.374 1.00 2.59 H new ATOM 0 HE3 LYS A 92 9.564 -0.859 1.727 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 9.428 -3.087 0.735 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 7.954 -2.268 0.538 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 9.023 -2.417 -0.772 1.00 3.20 H new ATOM 49 N SER A 93 5.483 2.686 1.405 1.00 1.38 N ATOM 50 CA SER A 93 4.011 2.551 1.595 1.00 1.40 C ATOM 51 C SER A 93 3.478 3.736 2.402 1.00 1.20 C ATOM 52 O SER A 93 4.229 4.575 2.855 1.00 1.08 O ATOM 53 CB SER A 93 3.829 1.249 2.371 1.00 1.60 C ATOM 54 OG SER A 93 3.839 1.528 3.765 1.00 2.20 O ATOM 0 H SER A 93 6.045 2.511 2.238 1.00 1.38 H new ATOM 0 HA SER A 93 3.470 2.538 0.649 1.00 1.40 H new ATOM 0 HB2 SER A 93 2.889 0.773 2.090 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.627 0.549 2.123 1.00 1.60 H new ATOM 0 HG SER A 93 3.721 0.694 4.266 1.00 2.20 H new ATOM 60 N GLU A 94 2.189 3.810 2.586 1.00 1.26 N ATOM 61 CA GLU A 94 1.610 4.943 3.365 1.00 1.17 C ATOM 62 C GLU A 94 2.253 5.021 4.753 1.00 1.12 C ATOM 63 O GLU A 94 2.159 6.023 5.434 1.00 1.09 O ATOM 64 CB GLU A 94 0.120 4.629 3.471 1.00 1.33 C ATOM 65 CG GLU A 94 -0.591 5.155 2.223 1.00 1.28 C ATOM 66 CD GLU A 94 -1.151 3.979 1.421 1.00 1.44 C ATOM 67 OE1 GLU A 94 -1.568 3.012 2.037 1.00 2.09 O ATOM 68 OE2 GLU A 94 -1.151 4.064 0.204 1.00 1.94 O ATOM 0 H GLU A 94 1.511 3.136 2.231 1.00 1.26 H new ATOM 0 HA GLU A 94 1.787 5.906 2.887 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.032 3.554 3.566 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.299 5.090 4.365 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -1.397 5.831 2.508 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.104 5.729 1.610 1.00 1.28 H new ATOM 75 N GLU A 95 2.911 3.975 5.177 1.00 1.19 N ATOM 76 CA GLU A 95 3.564 3.997 6.518 1.00 1.23 C ATOM 77 C GLU A 95 4.327 5.311 6.709 1.00 1.03 C ATOM 78 O GLU A 95 3.941 6.156 7.492 1.00 1.01 O ATOM 79 CB GLU A 95 4.531 2.811 6.508 1.00 1.45 C ATOM 80 CG GLU A 95 4.608 2.200 7.908 1.00 1.90 C ATOM 81 CD GLU A 95 5.970 2.517 8.529 1.00 2.12 C ATOM 82 OE1 GLU A 95 6.961 2.394 7.827 1.00 2.49 O ATOM 83 OE2 GLU A 95 6.000 2.877 9.694 1.00 2.66 O ATOM 0 H GLU A 95 3.024 3.107 4.653 1.00 1.19 H new ATOM 0 HA GLU A 95 2.842 3.926 7.332 1.00 1.23 H new ATOM 0 HB2 GLU A 95 4.196 2.062 5.791 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.520 3.138 6.188 1.00 1.45 H new ATOM 0 HG2 GLU A 95 3.809 2.598 8.534 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.463 1.121 7.854 1.00 1.90 H new ATOM 90 N GLU A 96 5.405 5.492 5.994 1.00 1.02 N ATOM 91 CA GLU A 96 6.187 6.755 6.128 1.00 0.94 C ATOM 92 C GLU A 96 5.651 7.801 5.149 1.00 0.79 C ATOM 93 O GLU A 96 5.775 8.991 5.364 1.00 0.82 O ATOM 94 CB GLU A 96 7.624 6.371 5.773 1.00 1.15 C ATOM 95 CG GLU A 96 8.487 7.632 5.695 1.00 1.62 C ATOM 96 CD GLU A 96 9.194 7.853 7.033 1.00 1.99 C ATOM 97 OE1 GLU A 96 9.923 6.967 7.449 1.00 2.78 O ATOM 98 OE2 GLU A 96 8.996 8.904 7.619 1.00 2.18 O ATOM 0 H GLU A 96 5.778 4.820 5.323 1.00 1.02 H new ATOM 0 HA GLU A 96 6.119 7.185 7.127 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.025 5.689 6.523 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.645 5.844 4.819 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.222 7.533 4.896 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.867 8.495 5.453 1.00 1.62 H new ATOM 105 N LEU A 97 5.051 7.360 4.078 1.00 0.77 N ATOM 106 CA LEU A 97 4.494 8.315 3.076 1.00 0.71 C ATOM 107 C LEU A 97 3.811 9.488 3.785 1.00 0.67 C ATOM 108 O LEU A 97 3.864 10.615 3.334 1.00 0.75 O ATOM 109 CB LEU A 97 3.469 7.493 2.296 1.00 0.80 C ATOM 110 CG LEU A 97 3.858 7.437 0.820 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.724 8.829 0.206 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.304 6.954 0.692 1.00 1.22 C ATOM 0 H LEU A 97 4.921 6.374 3.852 1.00 0.77 H new ATOM 0 HA LEU A 97 5.263 8.741 2.431 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.413 6.484 2.704 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.479 7.935 2.403 1.00 0.80 H new ATOM 0 HG LEU A 97 3.199 6.746 0.295 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.001 8.790 -0.847 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.692 9.169 0.297 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.382 9.522 0.729 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.582 6.914 -0.361 1.00 1.22 H new ATOM 0 HD22 LEU A 97 5.966 7.644 1.216 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.396 5.960 1.130 1.00 1.22 H new ATOM 124 N SER A 98 3.168 9.229 4.890 1.00 0.69 N ATOM 125 CA SER A 98 2.478 10.326 5.627 1.00 0.76 C ATOM 126 C SER A 98 3.495 11.360 6.115 1.00 0.72 C ATOM 127 O SER A 98 3.366 12.541 5.857 1.00 0.77 O ATOM 128 CB SER A 98 1.801 9.639 6.812 1.00 0.92 C ATOM 129 OG SER A 98 0.845 10.523 7.383 1.00 1.57 O ATOM 0 H SER A 98 3.090 8.305 5.315 1.00 0.69 H new ATOM 0 HA SER A 98 1.763 10.859 5.000 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.314 8.720 6.485 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.545 9.358 7.558 1.00 0.92 H new ATOM 0 HG SER A 98 0.144 10.715 6.726 1.00 1.57 H new ATOM 135 N ASP A 99 4.506 10.927 6.816 1.00 0.80 N ATOM 136 CA ASP A 99 5.529 11.887 7.320 1.00 0.86 C ATOM 137 C ASP A 99 6.339 12.459 6.152 1.00 0.81 C ATOM 138 O ASP A 99 6.698 13.620 6.143 1.00 0.91 O ATOM 139 CB ASP A 99 6.426 11.061 8.241 1.00 1.02 C ATOM 140 CG ASP A 99 6.406 11.663 9.647 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.011 12.707 9.831 1.00 1.83 O ATOM 142 OD2 ASP A 99 5.786 11.072 10.515 1.00 1.79 O ATOM 0 H ASP A 99 4.668 9.950 7.062 1.00 0.80 H new ATOM 0 HA ASP A 99 5.081 12.734 7.840 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.081 10.028 8.271 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.445 11.045 7.855 1.00 1.02 H new ATOM 147 N LEU A 100 6.629 11.654 5.167 1.00 0.75 N ATOM 148 CA LEU A 100 7.415 12.153 4.002 1.00 0.76 C ATOM 149 C LEU A 100 6.869 13.503 3.532 1.00 0.68 C ATOM 150 O LEU A 100 7.601 14.348 3.055 1.00 0.79 O ATOM 151 CB LEU A 100 7.228 11.093 2.916 1.00 0.86 C ATOM 152 CG LEU A 100 8.588 10.725 2.321 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.801 9.214 2.431 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.628 11.137 0.848 1.00 1.41 C ATOM 0 H LEU A 100 6.356 10.672 5.118 1.00 0.75 H new ATOM 0 HA LEU A 100 8.466 12.305 4.249 1.00 0.76 H new ATOM 0 HB2 LEU A 100 6.751 10.207 3.336 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.568 11.470 2.135 1.00 0.86 H new ATOM 0 HG LEU A 100 9.375 11.245 2.867 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.770 8.951 2.007 1.00 1.41 H new ATOM 0 HD12 LEU A 100 8.771 8.918 3.480 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.013 8.695 1.885 1.00 1.41 H new ATOM 0 HD21 LEU A 100 9.597 10.875 0.423 1.00 1.41 H new ATOM 0 HD22 LEU A 100 7.840 10.617 0.303 1.00 1.41 H new ATOM 0 HD23 LEU A 100 8.475 12.213 0.767 1.00 1.41 H new ATOM 166 N PHE A 101 5.587 13.713 3.660 1.00 0.60 N ATOM 167 CA PHE A 101 4.994 15.008 3.218 1.00 0.59 C ATOM 168 C PHE A 101 5.578 16.165 4.032 1.00 0.60 C ATOM 169 O PHE A 101 5.874 17.220 3.505 1.00 0.72 O ATOM 170 CB PHE A 101 3.496 14.867 3.484 1.00 0.61 C ATOM 171 CG PHE A 101 2.762 16.031 2.862 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.823 17.297 3.457 1.00 0.86 C ATOM 173 CD2 PHE A 101 2.019 15.844 1.690 1.00 0.68 C ATOM 174 CE1 PHE A 101 2.142 18.376 2.880 1.00 0.90 C ATOM 175 CE2 PHE A 101 1.339 16.923 1.113 1.00 0.73 C ATOM 176 CZ PHE A 101 1.400 18.188 1.708 1.00 0.69 C ATOM 0 H PHE A 101 4.924 13.044 4.052 1.00 0.60 H new ATOM 0 HA PHE A 101 5.204 15.222 2.170 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.129 13.928 3.069 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.308 14.836 4.557 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.396 17.441 4.361 1.00 0.86 H new ATOM 0 HD2 PHE A 101 1.971 14.867 1.231 1.00 0.68 H new ATOM 0 HE1 PHE A 101 2.189 19.353 3.339 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.767 16.779 0.208 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.874 19.020 1.263 1.00 0.69 H new ATOM 186 N ARG A 102 5.744 15.978 5.312 1.00 0.67 N ATOM 187 CA ARG A 102 6.306 17.069 6.159 1.00 0.76 C ATOM 188 C ARG A 102 7.536 17.685 5.487 1.00 0.68 C ATOM 189 O ARG A 102 7.527 18.834 5.091 1.00 0.78 O ATOM 190 CB ARG A 102 6.696 16.390 7.472 1.00 0.99 C ATOM 191 CG ARG A 102 5.800 16.910 8.598 1.00 1.30 C ATOM 192 CD ARG A 102 5.051 15.738 9.236 1.00 1.45 C ATOM 193 NE ARG A 102 5.057 16.028 10.697 1.00 2.12 N ATOM 194 CZ ARG A 102 4.796 15.078 11.555 1.00 2.71 C ATOM 195 NH1 ARG A 102 4.527 13.870 11.137 1.00 3.07 N ATOM 196 NH2 ARG A 102 4.803 15.337 12.834 1.00 3.37 N ATOM 0 H ARG A 102 5.515 15.117 5.809 1.00 0.67 H new ATOM 0 HA ARG A 102 5.593 17.878 6.314 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.593 15.309 7.380 1.00 0.99 H new ATOM 0 HB3 ARG A 102 7.742 16.592 7.702 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.402 17.423 9.348 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.091 17.639 8.206 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.033 15.664 8.852 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.543 14.790 9.020 1.00 1.45 H new ATOM 0 HE ARG A 102 5.265 16.970 11.028 1.00 2.12 H new ATOM 0 HH11 ARG A 102 4.520 13.666 10.138 1.00 3.07 H new ATOM 0 HH12 ARG A 102 4.324 13.131 11.810 1.00 3.07 H new ATOM 0 HH21 ARG A 102 5.012 16.280 13.162 1.00 3.37 H new ATOM 0 HH22 ARG A 102 4.599 14.597 13.505 1.00 3.37 H new ATOM 210 N MET A 103 8.596 16.934 5.355 1.00 0.71 N ATOM 211 CA MET A 103 9.821 17.485 4.708 1.00 0.75 C ATOM 212 C MET A 103 9.547 17.785 3.232 1.00 0.68 C ATOM 213 O MET A 103 10.312 18.461 2.573 1.00 0.83 O ATOM 214 CB MET A 103 10.878 16.389 4.852 1.00 0.93 C ATOM 215 CG MET A 103 10.510 15.198 3.964 1.00 1.27 C ATOM 216 SD MET A 103 11.916 14.784 2.900 1.00 1.82 S ATOM 217 CE MET A 103 12.709 13.606 4.021 1.00 2.43 C ATOM 0 H MET A 103 8.667 15.965 5.666 1.00 0.71 H new ATOM 0 HA MET A 103 10.146 18.419 5.166 1.00 0.75 H new ATOM 0 HB2 MET A 103 11.858 16.776 4.571 1.00 0.93 H new ATOM 0 HB3 MET A 103 10.947 16.072 5.892 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.241 14.340 4.580 1.00 1.27 H new ATOM 0 HG3 MET A 103 9.638 15.439 3.356 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.616 13.217 3.558 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.965 14.108 4.954 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.025 12.783 4.227 1.00 2.43 H new ATOM 227 N PHE A 104 8.458 17.291 2.710 1.00 0.68 N ATOM 228 CA PHE A 104 8.131 17.551 1.279 1.00 0.79 C ATOM 229 C PHE A 104 7.674 19.001 1.102 1.00 0.71 C ATOM 230 O PHE A 104 7.784 19.572 0.035 1.00 0.88 O ATOM 231 CB PHE A 104 6.990 16.587 0.953 1.00 0.94 C ATOM 232 CG PHE A 104 7.233 15.948 -0.393 1.00 1.31 C ATOM 233 CD1 PHE A 104 6.859 16.618 -1.565 1.00 2.03 C ATOM 234 CD2 PHE A 104 7.830 14.684 -0.470 1.00 1.26 C ATOM 235 CE1 PHE A 104 7.082 16.024 -2.813 1.00 2.65 C ATOM 236 CE2 PHE A 104 8.053 14.090 -1.718 1.00 1.86 C ATOM 237 CZ PHE A 104 7.679 14.760 -2.890 1.00 2.56 C ATOM 0 H PHE A 104 7.780 16.718 3.213 1.00 0.68 H new ATOM 0 HA PHE A 104 8.989 17.403 0.623 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.918 15.819 1.723 1.00 0.94 H new ATOM 0 HB3 PHE A 104 6.040 17.121 0.946 1.00 0.94 H new ATOM 0 HD1 PHE A 104 6.398 17.593 -1.506 1.00 2.03 H new ATOM 0 HD2 PHE A 104 8.119 14.167 0.433 1.00 1.26 H new ATOM 0 HE1 PHE A 104 6.793 16.541 -3.716 1.00 2.65 H new ATOM 0 HE2 PHE A 104 8.514 13.115 -1.777 1.00 1.86 H new ATOM 0 HZ PHE A 104 7.851 14.302 -3.853 1.00 2.56 H new ATOM 247 N ASP A 105 7.161 19.600 2.142 1.00 0.61 N ATOM 248 CA ASP A 105 6.694 21.013 2.036 1.00 0.60 C ATOM 249 C ASP A 105 7.795 21.974 2.495 1.00 0.56 C ATOM 250 O ASP A 105 8.048 22.126 3.674 1.00 0.63 O ATOM 251 CB ASP A 105 5.485 21.101 2.968 1.00 0.68 C ATOM 252 CG ASP A 105 4.680 22.360 2.641 1.00 0.86 C ATOM 253 OD1 ASP A 105 5.198 23.202 1.927 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.560 22.461 3.112 1.00 1.45 O ATOM 0 H ASP A 105 7.045 19.173 3.061 1.00 0.61 H new ATOM 0 HA ASP A 105 6.442 21.287 1.012 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.859 20.216 2.854 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.814 21.126 4.007 1.00 0.68 H new ATOM 259 N LYS A 106 8.447 22.627 1.573 1.00 0.59 N ATOM 260 CA LYS A 106 9.528 23.580 1.956 1.00 0.66 C ATOM 261 C LYS A 106 8.944 24.751 2.752 1.00 0.55 C ATOM 262 O LYS A 106 9.649 25.456 3.446 1.00 0.63 O ATOM 263 CB LYS A 106 10.109 24.072 0.631 1.00 0.87 C ATOM 264 CG LYS A 106 11.583 23.675 0.541 1.00 1.21 C ATOM 265 CD LYS A 106 12.460 24.907 0.776 1.00 1.61 C ATOM 266 CE LYS A 106 12.924 24.933 2.234 1.00 1.77 C ATOM 267 NZ LYS A 106 14.212 24.186 2.242 1.00 2.14 N ATOM 0 H LYS A 106 8.278 22.542 0.571 1.00 0.59 H new ATOM 0 HA LYS A 106 10.285 23.113 2.586 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.554 23.643 -0.203 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.008 25.155 0.557 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.810 22.908 1.281 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.796 23.246 -0.438 1.00 1.21 H new ATOM 0 HD2 LYS A 106 13.322 24.885 0.109 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.901 25.814 0.545 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.059 25.955 2.587 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.191 24.463 2.890 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.593 24.161 3.209 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.052 23.214 1.908 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.892 24.660 1.614 1.00 2.14 H new ATOM 281 N ASN A 107 7.659 24.964 2.655 1.00 0.48 N ATOM 282 CA ASN A 107 7.030 26.089 3.406 1.00 0.50 C ATOM 283 C ASN A 107 6.587 25.616 4.794 1.00 0.58 C ATOM 284 O ASN A 107 6.443 26.400 5.711 1.00 0.70 O ATOM 285 CB ASN A 107 5.821 26.499 2.564 1.00 0.54 C ATOM 286 CG ASN A 107 5.757 28.025 2.468 1.00 0.70 C ATOM 287 OD1 ASN A 107 6.408 28.720 3.222 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.995 28.579 1.564 1.00 0.78 N ATOM 0 H ASN A 107 7.018 24.408 2.089 1.00 0.48 H new ATOM 0 HA ASN A 107 7.718 26.920 3.561 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.895 26.064 1.567 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.905 26.114 3.012 1.00 0.54 H new ATOM 0 HD21 ASN A 107 4.947 29.595 1.491 1.00 0.78 H new ATOM 0 HD22 ASN A 107 4.448 27.996 0.931 1.00 0.78 H new ATOM 295 N ALA A 108 6.372 24.339 4.955 1.00 0.65 N ATOM 296 CA ALA A 108 5.941 23.814 6.284 1.00 0.84 C ATOM 297 C ALA A 108 4.682 24.543 6.763 1.00 0.78 C ATOM 298 O ALA A 108 4.664 25.134 7.825 1.00 0.96 O ATOM 299 CB ALA A 108 7.112 24.100 7.223 1.00 1.03 C ATOM 0 H ALA A 108 6.476 23.635 4.224 1.00 0.65 H new ATOM 0 HA ALA A 108 5.697 22.752 6.245 1.00 0.84 H new ATOM 0 HB1 ALA A 108 6.871 23.742 8.224 1.00 1.03 H new ATOM 0 HB2 ALA A 108 8.003 23.589 6.859 1.00 1.03 H new ATOM 0 HB3 ALA A 108 7.298 25.174 7.256 1.00 1.03 H new ATOM 305 N ASP A 109 3.631 24.508 5.991 1.00 0.73 N ATOM 306 CA ASP A 109 2.378 25.202 6.408 1.00 0.74 C ATOM 307 C ASP A 109 1.182 24.247 6.329 1.00 0.78 C ATOM 308 O ASP A 109 0.106 24.546 6.807 1.00 0.96 O ATOM 309 CB ASP A 109 2.213 26.351 5.413 1.00 0.72 C ATOM 310 CG ASP A 109 2.048 25.785 4.002 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.757 24.847 3.674 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.216 26.299 3.272 1.00 1.95 O ATOM 0 H ASP A 109 3.585 24.030 5.091 1.00 0.73 H new ATOM 0 HA ASP A 109 2.429 25.555 7.438 1.00 0.74 H new ATOM 0 HB2 ASP A 109 1.344 26.954 5.678 1.00 0.72 H new ATOM 0 HB3 ASP A 109 3.082 27.008 5.453 1.00 0.72 H new ATOM 317 N GLY A 110 1.358 23.101 5.729 1.00 0.76 N ATOM 318 CA GLY A 110 0.229 22.133 5.621 1.00 0.85 C ATOM 319 C GLY A 110 -0.193 22.000 4.156 1.00 0.70 C ATOM 320 O GLY A 110 -1.169 21.348 3.838 1.00 0.73 O ATOM 0 H GLY A 110 2.235 22.793 5.309 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.530 21.162 6.013 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.614 22.472 6.224 1.00 0.85 H new ATOM 324 N TYR A 111 0.534 22.611 3.261 1.00 0.68 N ATOM 325 CA TYR A 111 0.174 22.519 1.817 1.00 0.60 C ATOM 326 C TYR A 111 1.422 22.720 0.953 1.00 0.58 C ATOM 327 O TYR A 111 2.355 23.393 1.343 1.00 0.83 O ATOM 328 CB TYR A 111 -0.826 23.650 1.583 1.00 0.68 C ATOM 329 CG TYR A 111 -2.063 23.416 2.416 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.026 22.490 1.995 1.00 0.71 C ATOM 331 CD2 TYR A 111 -2.248 24.126 3.608 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.174 22.275 2.768 1.00 0.78 C ATOM 333 CE2 TYR A 111 -3.396 23.912 4.379 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.359 22.986 3.959 1.00 0.80 C ATOM 335 OH TYR A 111 -5.491 22.775 4.720 1.00 0.90 O ATOM 0 H TYR A 111 1.362 23.170 3.467 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.245 21.547 1.556 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.375 24.607 1.845 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.091 23.701 0.527 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.883 21.942 1.075 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -1.505 24.839 3.933 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.917 21.560 2.445 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -3.539 24.461 5.298 1.00 0.83 H new ATOM 0 HH TYR A 111 -5.462 23.348 5.515 1.00 0.90 H new ATOM 345 N ILE A 112 1.445 22.145 -0.217 1.00 0.50 N ATOM 346 CA ILE A 112 2.635 22.307 -1.101 1.00 0.50 C ATOM 347 C ILE A 112 2.210 22.863 -2.462 1.00 0.49 C ATOM 348 O ILE A 112 1.232 22.433 -3.042 1.00 0.66 O ATOM 349 CB ILE A 112 3.213 20.900 -1.254 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.784 20.435 0.088 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.327 20.917 -2.302 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.424 19.056 -0.081 1.00 0.66 C ATOM 0 H ILE A 112 0.694 21.571 -0.599 1.00 0.50 H new ATOM 0 HA ILE A 112 3.364 23.003 -0.686 1.00 0.50 H new ATOM 0 HB ILE A 112 2.425 20.217 -1.572 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.524 21.150 0.448 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.993 20.391 0.837 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.739 19.914 -2.411 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.922 21.249 -3.258 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.115 21.600 -1.985 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.831 18.724 0.874 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.671 18.345 -0.422 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.226 19.115 -0.816 1.00 0.66 H new ATOM 364 N ASP A 113 2.939 23.814 -2.978 1.00 0.47 N ATOM 365 CA ASP A 113 2.579 24.395 -4.302 1.00 0.50 C ATOM 366 C ASP A 113 3.549 23.895 -5.375 1.00 0.50 C ATOM 367 O ASP A 113 4.292 22.957 -5.165 1.00 0.57 O ATOM 368 CB ASP A 113 2.710 25.908 -4.122 1.00 0.60 C ATOM 369 CG ASP A 113 4.172 26.266 -3.850 1.00 1.17 C ATOM 370 OD1 ASP A 113 4.943 25.360 -3.582 1.00 1.85 O ATOM 371 OD2 ASP A 113 4.496 27.440 -3.915 1.00 1.77 O ATOM 0 H ASP A 113 3.769 24.214 -2.540 1.00 0.47 H new ATOM 0 HA ASP A 113 1.576 24.110 -4.620 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.359 26.423 -5.016 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.083 26.242 -3.295 1.00 0.60 H new ATOM 376 N LEU A 114 3.551 24.514 -6.523 1.00 0.52 N ATOM 377 CA LEU A 114 4.475 24.071 -7.606 1.00 0.57 C ATOM 378 C LEU A 114 5.907 24.513 -7.292 1.00 0.63 C ATOM 379 O LEU A 114 6.864 23.863 -7.665 1.00 0.80 O ATOM 380 CB LEU A 114 3.967 24.765 -8.869 1.00 0.62 C ATOM 381 CG LEU A 114 2.543 24.298 -9.173 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.593 25.495 -9.125 1.00 0.91 C ATOM 383 CD2 LEU A 114 2.501 23.671 -10.567 1.00 0.81 C ATOM 0 H LEU A 114 2.954 25.307 -6.758 1.00 0.52 H new ATOM 0 HA LEU A 114 4.493 22.987 -7.715 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.985 25.846 -8.734 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.622 24.538 -9.710 1.00 0.62 H new ATOM 0 HG LEU A 114 2.236 23.560 -8.432 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.578 25.163 -9.342 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.624 25.944 -8.132 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.899 26.233 -9.867 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.487 23.337 -10.786 1.00 0.81 H new ATOM 0 HD22 LEU A 114 2.808 24.410 -11.308 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.179 22.818 -10.603 1.00 0.81 H new ATOM 395 N ASP A 115 6.062 25.616 -6.611 1.00 0.61 N ATOM 396 CA ASP A 115 7.432 26.099 -6.276 1.00 0.71 C ATOM 397 C ASP A 115 8.066 25.196 -5.216 1.00 0.65 C ATOM 398 O ASP A 115 9.096 24.591 -5.437 1.00 0.89 O ATOM 399 CB ASP A 115 7.229 27.511 -5.728 1.00 0.80 C ATOM 400 CG ASP A 115 7.412 28.527 -6.858 1.00 1.17 C ATOM 401 OD1 ASP A 115 6.769 28.366 -7.882 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.192 29.448 -6.679 1.00 1.76 O ATOM 0 H ASP A 115 5.300 26.203 -6.272 1.00 0.61 H new ATOM 0 HA ASP A 115 8.098 26.089 -7.139 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.232 27.606 -5.297 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.942 27.708 -4.928 1.00 0.80 H new ATOM 407 N GLU A 116 7.458 25.099 -4.066 1.00 0.51 N ATOM 408 CA GLU A 116 8.026 24.234 -2.993 1.00 0.48 C ATOM 409 C GLU A 116 8.285 22.826 -3.533 1.00 0.49 C ATOM 410 O GLU A 116 9.075 22.078 -2.991 1.00 0.63 O ATOM 411 CB GLU A 116 6.957 24.202 -1.900 1.00 0.48 C ATOM 412 CG GLU A 116 6.713 25.622 -1.385 1.00 0.57 C ATOM 413 CD GLU A 116 5.235 25.790 -1.029 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.504 24.819 -1.144 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.859 26.886 -0.647 1.00 1.36 O ATOM 0 H GLU A 116 6.593 25.581 -3.823 1.00 0.51 H new ATOM 0 HA GLU A 116 8.978 24.611 -2.619 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.031 23.782 -2.294 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.277 23.557 -1.082 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.333 25.814 -0.509 1.00 0.57 H new ATOM 0 HG3 GLU A 116 7.000 26.350 -2.144 1.00 0.57 H new ATOM 422 N LEU A 117 7.627 22.459 -4.599 1.00 0.48 N ATOM 423 CA LEU A 117 7.836 21.098 -5.173 1.00 0.52 C ATOM 424 C LEU A 117 9.207 21.015 -5.851 1.00 0.58 C ATOM 425 O LEU A 117 9.956 20.081 -5.644 1.00 0.69 O ATOM 426 CB LEU A 117 6.719 20.925 -6.203 1.00 0.55 C ATOM 427 CG LEU A 117 5.473 20.360 -5.519 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.271 20.498 -6.455 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.697 18.881 -5.192 1.00 0.53 C ATOM 0 H LEU A 117 6.954 23.042 -5.097 1.00 0.48 H new ATOM 0 HA LEU A 117 7.810 20.320 -4.410 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.488 21.883 -6.668 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.045 20.255 -6.999 1.00 0.55 H new ATOM 0 HG LEU A 117 5.282 20.911 -4.598 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.383 20.096 -5.968 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.111 21.550 -6.689 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.462 19.946 -7.376 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.809 18.478 -4.704 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.887 18.330 -6.113 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.554 18.781 -4.526 1.00 0.53 H new ATOM 441 N LYS A 118 9.537 21.983 -6.661 1.00 0.59 N ATOM 442 CA LYS A 118 10.857 21.959 -7.356 1.00 0.69 C ATOM 443 C LYS A 118 11.960 22.474 -6.427 1.00 0.64 C ATOM 444 O LYS A 118 13.134 22.338 -6.707 1.00 0.73 O ATOM 445 CB LYS A 118 10.686 22.896 -8.552 1.00 0.83 C ATOM 446 CG LYS A 118 10.286 24.287 -8.055 1.00 0.99 C ATOM 447 CD LYS A 118 11.029 25.352 -8.864 1.00 1.35 C ATOM 448 CE LYS A 118 11.961 26.139 -7.939 1.00 1.51 C ATOM 449 NZ LYS A 118 13.019 26.686 -8.835 1.00 1.99 N ATOM 0 H LYS A 118 8.950 22.790 -6.872 1.00 0.59 H new ATOM 0 HA LYS A 118 11.145 20.952 -7.659 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.615 22.954 -9.119 1.00 0.83 H new ATOM 0 HB3 LYS A 118 9.924 22.506 -9.227 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.209 24.425 -8.155 1.00 0.99 H new ATOM 0 HG3 LYS A 118 10.523 24.388 -6.996 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.604 24.882 -9.662 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.316 26.026 -9.339 1.00 1.35 H new ATOM 0 HE2 LYS A 118 11.426 26.938 -7.426 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.389 25.496 -7.169 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 13.698 27.239 -8.274 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 13.516 25.902 -9.305 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 12.583 27.299 -9.553 1.00 1.99 H new ATOM 463 N ILE A 119 11.591 23.068 -5.326 1.00 0.68 N ATOM 464 CA ILE A 119 12.620 23.596 -4.384 1.00 0.74 C ATOM 465 C ILE A 119 12.947 22.554 -3.311 1.00 0.75 C ATOM 466 O ILE A 119 14.089 22.369 -2.940 1.00 0.85 O ATOM 467 CB ILE A 119 11.977 24.832 -3.758 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.742 25.882 -4.845 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.906 25.404 -2.686 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.280 27.190 -4.204 1.00 1.06 C ATOM 0 H ILE A 119 10.623 23.211 -5.037 1.00 0.68 H new ATOM 0 HA ILE A 119 13.559 23.832 -4.885 1.00 0.74 H new ATOM 0 HB ILE A 119 11.026 24.559 -3.302 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.659 26.047 -5.410 1.00 1.22 H new ATOM 0 HG13 ILE A 119 10.992 25.527 -5.552 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.447 26.286 -2.240 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.076 24.654 -1.914 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.858 25.681 -3.139 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.113 27.937 -4.980 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.352 27.020 -3.659 1.00 1.06 H new ATOM 0 HD13 ILE A 119 12.045 27.548 -3.515 1.00 1.06 H new ATOM 482 N MET A 120 11.954 21.872 -2.811 1.00 0.85 N ATOM 483 CA MET A 120 12.212 20.843 -1.763 1.00 1.01 C ATOM 484 C MET A 120 13.290 19.864 -2.238 1.00 0.95 C ATOM 485 O MET A 120 14.060 19.345 -1.455 1.00 1.11 O ATOM 486 CB MET A 120 10.876 20.122 -1.582 1.00 1.17 C ATOM 487 CG MET A 120 10.945 19.216 -0.352 1.00 1.52 C ATOM 488 SD MET A 120 11.381 17.535 -0.864 1.00 1.88 S ATOM 489 CE MET A 120 9.793 17.106 -1.619 1.00 1.43 C ATOM 0 H MET A 120 10.977 21.982 -3.082 1.00 0.85 H new ATOM 0 HA MET A 120 12.569 21.281 -0.831 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.072 20.849 -1.466 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.647 19.531 -2.469 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.685 19.597 0.352 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.985 19.213 0.165 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.445 16.154 -1.219 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.062 17.883 -1.394 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.914 17.023 -2.699 1.00 1.43 H new ATOM 499 N LEU A 121 13.349 19.606 -3.517 1.00 0.87 N ATOM 500 CA LEU A 121 14.375 18.660 -4.041 1.00 0.95 C ATOM 501 C LEU A 121 15.664 19.410 -4.389 1.00 0.87 C ATOM 502 O LEU A 121 16.735 18.837 -4.431 1.00 0.97 O ATOM 503 CB LEU A 121 13.750 18.058 -5.301 1.00 1.09 C ATOM 504 CG LEU A 121 13.512 16.562 -5.088 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.832 15.880 -4.723 1.00 2.03 C ATOM 506 CD2 LEU A 121 12.506 16.364 -3.952 1.00 1.80 C ATOM 0 H LEU A 121 12.731 20.010 -4.221 1.00 0.87 H new ATOM 0 HA LEU A 121 14.642 17.896 -3.310 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.808 18.558 -5.527 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.408 18.214 -6.156 1.00 1.09 H new ATOM 0 HG LEU A 121 13.119 16.123 -6.005 1.00 1.41 H new ATOM 0 HD11 LEU A 121 14.661 14.814 -4.571 1.00 2.03 H new ATOM 0 HD12 LEU A 121 15.550 16.021 -5.531 1.00 2.03 H new ATOM 0 HD13 LEU A 121 15.227 16.318 -3.806 1.00 2.03 H new ATOM 0 HD21 LEU A 121 12.335 15.298 -3.799 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.900 16.804 -3.036 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.565 16.849 -4.211 1.00 1.80 H new ATOM 518 N GLN A 122 15.569 20.687 -4.641 1.00 0.82 N ATOM 519 CA GLN A 122 16.787 21.474 -4.991 1.00 0.95 C ATOM 520 C GLN A 122 17.961 21.073 -4.092 1.00 1.04 C ATOM 521 O GLN A 122 19.107 21.135 -4.488 1.00 1.19 O ATOM 522 CB GLN A 122 16.399 22.932 -4.743 1.00 1.14 C ATOM 523 CG GLN A 122 17.478 23.853 -5.315 1.00 1.42 C ATOM 524 CD GLN A 122 18.214 24.551 -4.171 1.00 1.85 C ATOM 525 OE1 GLN A 122 18.407 23.977 -3.117 1.00 2.44 O ATOM 526 NE2 GLN A 122 18.636 25.775 -4.334 1.00 2.28 N ATOM 0 H GLN A 122 14.700 21.220 -4.620 1.00 0.82 H new ATOM 0 HA GLN A 122 17.105 21.302 -6.019 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.438 23.148 -5.209 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.282 23.111 -3.674 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.182 23.277 -5.916 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.026 24.593 -5.976 1.00 1.42 H new ATOM 0 HE21 GLN A 122 18.474 26.257 -5.218 1.00 2.28 H new ATOM 0 HE22 GLN A 122 19.128 26.250 -3.577 1.00 2.28 H new ATOM 535 N ALA A 123 17.684 20.668 -2.883 1.00 1.09 N ATOM 536 CA ALA A 123 18.786 20.269 -1.959 1.00 1.33 C ATOM 537 C ALA A 123 19.672 19.202 -2.608 1.00 1.38 C ATOM 538 O ALA A 123 20.791 18.975 -2.192 1.00 1.62 O ATOM 539 CB ALA A 123 18.081 19.701 -0.726 1.00 1.45 C ATOM 0 H ALA A 123 16.744 20.596 -2.494 1.00 1.09 H new ATOM 0 HA ALA A 123 19.436 21.108 -1.711 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.825 19.383 0.005 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.444 20.468 -0.285 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.471 18.846 -1.017 1.00 1.45 H new ATOM 545 N THR A 124 19.184 18.542 -3.623 1.00 1.29 N ATOM 546 CA THR A 124 20.004 17.489 -4.291 1.00 1.47 C ATOM 547 C THR A 124 20.704 18.063 -5.525 1.00 1.44 C ATOM 548 O THR A 124 21.597 17.456 -6.082 1.00 1.72 O ATOM 549 CB THR A 124 19.004 16.406 -4.697 1.00 1.56 C ATOM 550 OG1 THR A 124 18.098 16.935 -5.654 1.00 2.16 O ATOM 551 CG2 THR A 124 18.231 15.935 -3.465 1.00 1.92 C ATOM 0 H THR A 124 18.255 18.685 -4.019 1.00 1.29 H new ATOM 0 HA THR A 124 20.785 17.099 -3.638 1.00 1.47 H new ATOM 0 HB THR A 124 19.539 15.562 -5.131 1.00 1.56 H new ATOM 0 HG1 THR A 124 17.344 17.358 -5.192 1.00 2.16 H new ATOM 0 HG21 THR A 124 17.518 15.163 -3.756 1.00 1.92 H new ATOM 0 HG22 THR A 124 18.928 15.528 -2.732 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.695 16.777 -3.028 1.00 1.92 H new ATOM 559 N GLY A 125 20.305 19.226 -5.958 1.00 1.26 N ATOM 560 CA GLY A 125 20.949 19.834 -7.157 1.00 1.32 C ATOM 561 C GLY A 125 20.064 19.600 -8.382 1.00 1.26 C ATOM 562 O GLY A 125 20.544 19.437 -9.485 1.00 1.63 O ATOM 0 H GLY A 125 19.562 19.782 -5.535 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.098 20.902 -7.001 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.934 19.395 -7.317 1.00 1.32 H new ATOM 566 N GLU A 126 18.773 19.580 -8.195 1.00 1.02 N ATOM 567 CA GLU A 126 17.856 19.356 -9.348 1.00 1.08 C ATOM 568 C GLU A 126 17.849 20.584 -10.263 1.00 0.89 C ATOM 569 O GLU A 126 17.073 21.500 -10.080 1.00 0.87 O ATOM 570 CB GLU A 126 16.478 19.149 -8.719 1.00 1.34 C ATOM 571 CG GLU A 126 16.061 20.420 -7.976 1.00 1.45 C ATOM 572 CD GLU A 126 14.900 21.088 -8.715 1.00 1.61 C ATOM 573 OE1 GLU A 126 14.253 20.410 -9.496 1.00 2.09 O ATOM 574 OE2 GLU A 126 14.679 22.266 -8.488 1.00 2.16 O ATOM 0 H GLU A 126 18.313 19.709 -7.294 1.00 1.02 H new ATOM 0 HA GLU A 126 18.158 18.506 -9.960 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.746 18.909 -9.491 1.00 1.34 H new ATOM 0 HB3 GLU A 126 16.504 18.304 -8.031 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.764 20.176 -6.956 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.905 21.107 -7.907 1.00 1.45 H new ATOM 581 N THR A 127 18.702 20.607 -11.250 1.00 1.09 N ATOM 582 CA THR A 127 18.734 21.775 -12.175 1.00 1.21 C ATOM 583 C THR A 127 18.026 21.420 -13.482 1.00 1.29 C ATOM 584 O THR A 127 18.614 20.864 -14.389 1.00 1.60 O ATOM 585 CB THR A 127 20.218 22.046 -12.426 1.00 1.57 C ATOM 586 OG1 THR A 127 20.768 20.986 -13.195 1.00 1.91 O ATOM 587 CG2 THR A 127 20.955 22.144 -11.090 1.00 2.18 C ATOM 0 H THR A 127 19.376 19.870 -11.456 1.00 1.09 H new ATOM 0 HA THR A 127 18.229 22.647 -11.760 1.00 1.21 H new ATOM 0 HB THR A 127 20.328 22.985 -12.968 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.373 20.993 -14.092 1.00 1.91 H new ATOM 0 HG21 THR A 127 22.012 22.337 -11.271 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.533 22.958 -10.501 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.846 21.207 -10.545 1.00 2.18 H new ATOM 595 N ILE A 128 16.765 21.731 -13.583 1.00 1.08 N ATOM 596 CA ILE A 128 16.015 21.406 -14.828 1.00 1.20 C ATOM 597 C ILE A 128 15.128 22.586 -15.236 1.00 1.18 C ATOM 598 O ILE A 128 14.968 23.538 -14.498 1.00 1.15 O ATOM 599 CB ILE A 128 15.166 20.189 -14.464 1.00 1.12 C ATOM 600 CG1 ILE A 128 14.001 20.626 -13.571 1.00 1.32 C ATOM 601 CG2 ILE A 128 16.027 19.170 -13.714 1.00 1.62 C ATOM 602 CD1 ILE A 128 13.332 19.393 -12.962 1.00 2.03 C ATOM 0 H ILE A 128 16.220 22.197 -12.857 1.00 1.08 H new ATOM 0 HA ILE A 128 16.675 21.205 -15.672 1.00 1.20 H new ATOM 0 HB ILE A 128 14.776 19.735 -15.375 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.362 21.284 -12.781 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.276 21.195 -14.153 1.00 1.32 H new ATOM 0 HG21 ILE A 128 15.421 18.302 -13.455 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.856 18.857 -14.349 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.418 19.624 -12.804 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.503 19.705 -12.327 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.956 18.752 -13.759 1.00 2.03 H new ATOM 0 HD13 ILE A 128 14.059 18.842 -12.365 1.00 2.03 H new ATOM 614 N THR A 129 14.546 22.530 -16.403 1.00 1.34 N ATOM 615 CA THR A 129 13.667 23.648 -16.850 1.00 1.42 C ATOM 616 C THR A 129 12.494 23.816 -15.880 1.00 1.16 C ATOM 617 O THR A 129 12.058 22.872 -15.250 1.00 0.97 O ATOM 618 CB THR A 129 13.161 23.230 -18.232 1.00 1.64 C ATOM 619 OG1 THR A 129 12.441 22.011 -18.120 1.00 2.23 O ATOM 620 CG2 THR A 129 14.348 23.038 -19.177 1.00 2.28 C ATOM 0 H THR A 129 14.641 21.760 -17.065 1.00 1.34 H new ATOM 0 HA THR A 129 14.196 24.601 -16.881 1.00 1.42 H new ATOM 0 HB THR A 129 12.506 24.006 -18.630 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.114 21.742 -19.004 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.985 22.740 -20.161 1.00 2.28 H new ATOM 0 HG22 THR A 129 14.901 23.974 -19.262 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.005 22.263 -18.783 1.00 2.28 H new ATOM 628 N GLU A 130 11.979 25.008 -15.754 1.00 1.31 N ATOM 629 CA GLU A 130 10.834 25.228 -14.825 1.00 1.28 C ATOM 630 C GLU A 130 9.588 24.503 -15.342 1.00 1.16 C ATOM 631 O GLU A 130 8.658 24.245 -14.605 1.00 1.21 O ATOM 632 CB GLU A 130 10.612 26.742 -14.816 1.00 1.69 C ATOM 633 CG GLU A 130 9.999 27.174 -16.148 1.00 2.05 C ATOM 634 CD GLU A 130 9.943 28.702 -16.213 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.281 29.287 -15.372 1.00 2.70 O ATOM 636 OE2 GLU A 130 10.563 29.260 -17.103 1.00 3.03 O ATOM 0 H GLU A 130 12.300 25.838 -16.253 1.00 1.31 H new ATOM 0 HA GLU A 130 11.034 24.842 -13.825 1.00 1.28 H new ATOM 0 HB2 GLU A 130 9.953 27.019 -13.993 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.558 27.258 -14.654 1.00 1.69 H new ATOM 0 HG2 GLU A 130 10.592 26.786 -16.976 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.997 26.758 -16.251 1.00 2.05 H new ATOM 643 N ASP A 131 9.564 24.170 -16.604 1.00 1.18 N ATOM 644 CA ASP A 131 8.379 23.459 -17.165 1.00 1.19 C ATOM 645 C ASP A 131 8.402 21.985 -16.748 1.00 1.07 C ATOM 646 O ASP A 131 7.373 21.357 -16.595 1.00 1.14 O ATOM 647 CB ASP A 131 8.519 23.589 -18.683 1.00 1.44 C ATOM 648 CG ASP A 131 7.426 22.765 -19.367 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.275 23.161 -19.286 1.00 2.07 O ATOM 650 OD2 ASP A 131 7.759 21.752 -19.959 1.00 1.91 O ATOM 0 H ASP A 131 10.313 24.359 -17.270 1.00 1.18 H new ATOM 0 HA ASP A 131 7.438 23.877 -16.806 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.439 24.635 -18.978 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.503 23.242 -18.999 1.00 1.44 H new ATOM 655 N ASP A 132 9.568 21.430 -16.562 1.00 1.00 N ATOM 656 CA ASP A 132 9.657 19.998 -16.154 1.00 1.03 C ATOM 657 C ASP A 132 8.816 19.751 -14.898 1.00 0.88 C ATOM 658 O ASP A 132 8.172 18.730 -14.762 1.00 1.03 O ATOM 659 CB ASP A 132 11.140 19.762 -15.861 1.00 1.13 C ATOM 660 CG ASP A 132 11.710 18.775 -16.882 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.987 17.872 -17.272 1.00 1.79 O ATOM 662 OD2 ASP A 132 12.859 18.938 -17.256 1.00 1.99 O ATOM 0 H ASP A 132 10.463 21.906 -16.675 1.00 1.00 H new ATOM 0 HA ASP A 132 9.281 19.325 -16.925 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.685 20.705 -15.907 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.265 19.370 -14.851 1.00 1.13 H new ATOM 667 N ILE A 133 8.817 20.678 -13.980 1.00 0.75 N ATOM 668 CA ILE A 133 8.017 20.493 -12.735 1.00 0.77 C ATOM 669 C ILE A 133 6.585 20.082 -13.087 1.00 0.70 C ATOM 670 O ILE A 133 6.034 19.163 -12.513 1.00 0.82 O ATOM 671 CB ILE A 133 8.026 21.858 -12.043 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.473 22.317 -11.823 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.317 21.747 -10.692 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.303 21.159 -11.263 1.00 1.00 C ATOM 0 H ILE A 133 9.336 21.554 -14.037 1.00 0.75 H new ATOM 0 HA ILE A 133 8.428 19.712 -12.095 1.00 0.77 H new ATOM 0 HB ILE A 133 7.509 22.584 -12.670 1.00 0.87 H new ATOM 0 HG12 ILE A 133 9.902 22.663 -12.764 1.00 0.96 H new ATOM 0 HG13 ILE A 133 9.496 23.160 -11.133 1.00 0.96 H new ATOM 0 HG21 ILE A 133 7.322 22.718 -10.197 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.287 21.424 -10.847 1.00 1.06 H new ATOM 0 HG23 ILE A 133 7.835 21.019 -10.068 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.330 21.489 -11.108 1.00 1.00 H new ATOM 0 HD12 ILE A 133 9.879 20.834 -10.313 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.291 20.328 -11.969 1.00 1.00 H new ATOM 686 N GLU A 134 5.979 20.754 -14.026 1.00 0.61 N ATOM 687 CA GLU A 134 4.583 20.400 -14.415 1.00 0.64 C ATOM 688 C GLU A 134 4.486 18.904 -14.721 1.00 0.64 C ATOM 689 O GLU A 134 3.508 18.257 -14.403 1.00 0.76 O ATOM 690 CB GLU A 134 4.301 21.223 -15.672 1.00 0.73 C ATOM 691 CG GLU A 134 4.132 22.695 -15.291 1.00 0.89 C ATOM 692 CD GLU A 134 2.846 23.240 -15.915 1.00 1.21 C ATOM 693 OE1 GLU A 134 1.789 22.992 -15.359 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.941 23.895 -16.940 1.00 1.86 O ATOM 0 H GLU A 134 6.389 21.533 -14.541 1.00 0.61 H new ATOM 0 HA GLU A 134 3.866 20.611 -13.621 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.119 21.112 -16.383 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.399 20.858 -16.164 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.095 22.799 -14.207 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.990 23.272 -15.637 1.00 0.89 H new ATOM 701 N GLU A 135 5.494 18.350 -15.338 1.00 0.59 N ATOM 702 CA GLU A 135 5.461 16.896 -15.666 1.00 0.67 C ATOM 703 C GLU A 135 5.158 16.078 -14.408 1.00 0.74 C ATOM 704 O GLU A 135 4.504 15.056 -14.463 1.00 0.91 O ATOM 705 CB GLU A 135 6.862 16.579 -16.190 1.00 0.72 C ATOM 706 CG GLU A 135 6.928 15.113 -16.621 1.00 1.16 C ATOM 707 CD GLU A 135 5.940 14.872 -17.765 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.329 15.057 -18.906 1.00 2.29 O ATOM 709 OE2 GLU A 135 4.812 14.506 -17.480 1.00 2.03 O ATOM 0 H GLU A 135 6.339 18.841 -15.629 1.00 0.59 H new ATOM 0 HA GLU A 135 4.688 16.652 -16.395 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.102 17.228 -17.033 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.604 16.775 -15.416 1.00 0.72 H new ATOM 0 HG2 GLU A 135 7.939 14.862 -16.941 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.690 14.464 -15.778 1.00 1.16 H new ATOM 716 N LEU A 136 5.628 16.521 -13.275 1.00 0.73 N ATOM 717 CA LEU A 136 5.366 15.769 -12.015 1.00 0.87 C ATOM 718 C LEU A 136 4.109 16.309 -11.327 1.00 0.81 C ATOM 719 O LEU A 136 3.187 15.575 -11.034 1.00 1.00 O ATOM 720 CB LEU A 136 6.601 16.010 -11.146 1.00 0.99 C ATOM 721 CG LEU A 136 7.805 15.299 -11.765 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.941 16.302 -11.975 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.278 14.187 -10.827 1.00 1.75 C ATOM 0 H LEU A 136 6.182 17.371 -13.167 1.00 0.73 H new ATOM 0 HA LEU A 136 5.196 14.708 -12.195 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.799 17.079 -11.064 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.426 15.640 -10.136 1.00 0.99 H new ATOM 0 HG LEU A 136 7.517 14.870 -12.725 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.798 15.794 -12.416 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.607 17.096 -12.643 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.229 16.732 -11.016 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.136 13.680 -11.268 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.564 14.618 -9.867 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.471 13.470 -10.676 1.00 1.75 H new ATOM 735 N MET A 137 4.066 17.588 -11.067 1.00 0.67 N ATOM 736 CA MET A 137 2.868 18.173 -10.398 1.00 0.71 C ATOM 737 C MET A 137 1.591 17.719 -11.112 1.00 0.68 C ATOM 738 O MET A 137 0.539 17.610 -10.514 1.00 0.70 O ATOM 739 CB MET A 137 3.044 19.687 -10.523 1.00 0.82 C ATOM 740 CG MET A 137 2.721 20.353 -9.184 1.00 0.99 C ATOM 741 SD MET A 137 0.994 20.894 -9.181 1.00 0.94 S ATOM 742 CE MET A 137 0.935 21.455 -7.462 1.00 0.53 C ATOM 0 H MET A 137 4.808 18.252 -11.289 1.00 0.67 H new ATOM 0 HA MET A 137 2.780 17.858 -9.358 1.00 0.71 H new ATOM 0 HB2 MET A 137 4.066 19.921 -10.820 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.389 20.076 -11.302 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.896 19.654 -8.366 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.381 21.205 -9.021 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.255 20.820 -6.895 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.933 21.398 -7.026 1.00 0.53 H new ATOM 0 HE3 MET A 137 0.582 22.486 -7.428 1.00 0.53 H new ATOM 752 N LYS A 138 1.675 17.455 -12.388 1.00 0.76 N ATOM 753 CA LYS A 138 0.466 17.008 -13.139 1.00 0.82 C ATOM 754 C LYS A 138 -0.217 15.851 -12.404 1.00 0.72 C ATOM 755 O LYS A 138 -1.410 15.651 -12.514 1.00 0.84 O ATOM 756 CB LYS A 138 0.993 16.542 -14.497 1.00 0.99 C ATOM 757 CG LYS A 138 0.255 17.283 -15.614 1.00 1.57 C ATOM 758 CD LYS A 138 1.264 18.053 -16.470 1.00 2.09 C ATOM 759 CE LYS A 138 0.818 18.030 -17.934 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.452 18.809 -17.961 1.00 3.43 N ATOM 0 H LYS A 138 2.528 17.529 -12.943 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.274 17.802 -13.239 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.064 16.731 -14.567 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.851 15.467 -14.604 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.296 16.575 -16.232 1.00 1.57 H new ATOM 0 HG3 LYS A 138 -0.476 17.970 -15.188 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.343 19.082 -16.120 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.254 17.606 -16.374 1.00 2.09 H new ATOM 0 HE2 LYS A 138 1.570 18.478 -18.583 1.00 2.74 H new ATOM 0 HE3 LYS A 138 0.663 17.009 -18.284 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -0.678 19.071 -18.942 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -1.223 18.230 -17.571 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -0.343 19.671 -17.389 1.00 3.43 H new ATOM 774 N ASP A 139 0.532 15.087 -11.655 1.00 0.75 N ATOM 775 CA ASP A 139 -0.075 13.945 -10.913 1.00 0.78 C ATOM 776 C ASP A 139 -0.295 14.325 -9.447 1.00 0.70 C ATOM 777 O ASP A 139 -1.129 13.761 -8.768 1.00 0.81 O ATOM 778 CB ASP A 139 0.945 12.812 -11.028 1.00 0.97 C ATOM 779 CG ASP A 139 0.418 11.748 -11.993 1.00 1.16 C ATOM 780 OD1 ASP A 139 -0.581 12.009 -12.643 1.00 1.69 O ATOM 781 OD2 ASP A 139 1.022 10.690 -12.065 1.00 1.66 O ATOM 0 H ASP A 139 1.537 15.204 -11.525 1.00 0.75 H new ATOM 0 HA ASP A 139 -1.047 13.660 -11.315 1.00 0.78 H new ATOM 0 HB2 ASP A 139 1.899 13.201 -11.385 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.127 12.371 -10.048 1.00 0.97 H new ATOM 786 N GLY A 140 0.445 15.281 -8.956 1.00 0.64 N ATOM 787 CA GLY A 140 0.275 15.700 -7.536 1.00 0.62 C ATOM 788 C GLY A 140 -0.968 16.581 -7.415 1.00 0.57 C ATOM 789 O GLY A 140 -1.569 16.686 -6.365 1.00 0.65 O ATOM 0 H GLY A 140 1.160 15.790 -9.476 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.177 14.824 -6.895 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.156 16.246 -7.198 1.00 0.62 H new ATOM 793 N ASP A 141 -1.360 17.213 -8.487 1.00 0.56 N ATOM 794 CA ASP A 141 -2.568 18.087 -8.441 1.00 0.56 C ATOM 795 C ASP A 141 -3.272 18.075 -9.799 1.00 0.58 C ATOM 796 O ASP A 141 -3.543 19.107 -10.379 1.00 0.64 O ATOM 797 CB ASP A 141 -2.037 19.486 -8.125 1.00 0.60 C ATOM 798 CG ASP A 141 -2.428 19.869 -6.697 1.00 0.75 C ATOM 799 OD1 ASP A 141 -2.228 19.056 -5.810 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.921 20.970 -6.515 1.00 1.23 O ATOM 0 H ASP A 141 -0.896 17.162 -9.394 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.294 17.753 -7.700 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.953 19.509 -8.235 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.444 20.209 -8.831 1.00 0.60 H new ATOM 805 N LYS A 142 -3.567 16.911 -10.311 1.00 0.62 N ATOM 806 CA LYS A 142 -4.251 16.826 -11.633 1.00 0.70 C ATOM 807 C LYS A 142 -5.430 17.801 -11.687 1.00 0.79 C ATOM 808 O LYS A 142 -5.784 18.302 -12.736 1.00 0.92 O ATOM 809 CB LYS A 142 -4.745 15.383 -11.728 1.00 0.79 C ATOM 810 CG LYS A 142 -3.779 14.565 -12.588 1.00 0.88 C ATOM 811 CD LYS A 142 -4.509 13.348 -13.160 1.00 1.37 C ATOM 812 CE LYS A 142 -5.121 13.709 -14.516 1.00 1.79 C ATOM 813 NZ LYS A 142 -4.834 12.538 -15.390 1.00 2.44 N ATOM 0 H LYS A 142 -3.364 16.014 -9.870 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.588 17.088 -12.458 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.819 14.947 -10.732 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.745 15.358 -12.162 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.386 15.180 -13.398 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.927 14.243 -11.990 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -3.815 12.515 -13.273 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.289 13.023 -12.472 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -6.193 13.885 -14.431 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.679 14.620 -14.919 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -5.223 12.710 -16.339 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -3.806 12.399 -15.457 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -5.273 11.687 -14.985 1.00 2.44 H new ATOM 827 N ASN A 143 -6.045 18.072 -10.568 1.00 0.80 N ATOM 828 CA ASN A 143 -7.203 19.012 -10.567 1.00 0.95 C ATOM 829 C ASN A 143 -6.729 20.436 -10.245 1.00 0.92 C ATOM 830 O ASN A 143 -7.449 21.225 -9.667 1.00 1.08 O ATOM 831 CB ASN A 143 -8.156 18.461 -9.488 1.00 1.07 C ATOM 832 CG ASN A 143 -7.986 19.217 -8.163 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.839 19.995 -7.783 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.917 19.021 -7.442 1.00 1.70 N ATOM 0 H ASN A 143 -5.797 17.685 -9.657 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.700 19.076 -11.535 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -9.187 18.548 -9.830 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.960 17.400 -9.333 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.798 19.520 -6.561 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -6.200 18.368 -7.760 1.00 1.70 H new ATOM 841 N ASN A 144 -5.523 20.769 -10.615 1.00 0.86 N ATOM 842 CA ASN A 144 -5.008 22.138 -10.327 1.00 0.93 C ATOM 843 C ASN A 144 -5.151 22.442 -8.834 1.00 1.03 C ATOM 844 O ASN A 144 -4.261 22.178 -8.051 1.00 1.71 O ATOM 845 CB ASN A 144 -5.888 23.077 -11.154 1.00 1.08 C ATOM 846 CG ASN A 144 -5.737 24.510 -10.638 1.00 1.49 C ATOM 847 OD1 ASN A 144 -6.644 25.049 -10.035 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.622 25.153 -10.850 1.00 1.97 N ATOM 0 H ASN A 144 -4.873 20.154 -11.104 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.953 22.248 -10.578 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.604 23.026 -12.205 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -6.930 22.765 -11.090 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -4.511 26.108 -10.510 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -3.861 24.701 -11.356 1.00 1.97 H new ATOM 855 N ASP A 145 -6.267 22.987 -8.433 1.00 0.88 N ATOM 856 CA ASP A 145 -6.468 23.300 -6.989 1.00 0.92 C ATOM 857 C ASP A 145 -5.510 24.409 -6.544 1.00 0.91 C ATOM 858 O ASP A 145 -5.924 25.449 -6.071 1.00 1.07 O ATOM 859 CB ASP A 145 -6.152 21.996 -6.254 1.00 0.93 C ATOM 860 CG ASP A 145 -7.368 21.558 -5.436 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.144 22.419 -5.057 1.00 1.89 O ATOM 862 OD2 ASP A 145 -7.501 20.368 -5.202 1.00 2.06 O ATOM 0 H ASP A 145 -7.048 23.229 -9.042 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.478 23.653 -6.783 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -5.884 21.219 -6.970 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -5.292 22.136 -5.599 1.00 0.93 H new ATOM 867 N GLY A 146 -4.232 24.192 -6.686 1.00 0.84 N ATOM 868 CA GLY A 146 -3.247 25.227 -6.265 1.00 0.92 C ATOM 869 C GLY A 146 -2.503 24.737 -5.022 1.00 0.66 C ATOM 870 O GLY A 146 -1.786 25.480 -4.381 1.00 0.74 O ATOM 0 H GLY A 146 -3.827 23.341 -7.076 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.541 25.424 -7.072 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.757 26.166 -6.051 1.00 0.92 H new ATOM 874 N ARG A 147 -2.669 23.488 -4.677 1.00 0.56 N ATOM 875 CA ARG A 147 -1.975 22.944 -3.475 1.00 0.54 C ATOM 876 C ARG A 147 -1.978 21.413 -3.515 1.00 0.46 C ATOM 877 O ARG A 147 -2.898 20.797 -4.017 1.00 0.45 O ATOM 878 CB ARG A 147 -2.791 23.450 -2.285 1.00 0.77 C ATOM 879 CG ARG A 147 -4.221 22.913 -2.381 1.00 1.39 C ATOM 880 CD ARG A 147 -5.187 24.072 -2.637 1.00 1.79 C ATOM 881 NE ARG A 147 -6.476 23.639 -2.028 1.00 2.55 N ATOM 882 CZ ARG A 147 -7.467 24.484 -1.921 1.00 2.87 C ATOM 883 NH1 ARG A 147 -7.334 25.710 -2.350 1.00 3.10 N ATOM 884 NH2 ARG A 147 -8.595 24.100 -1.387 1.00 3.37 N ATOM 0 H ARG A 147 -3.256 22.820 -5.177 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.933 23.260 -3.419 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.331 23.126 -1.351 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.800 24.540 -2.274 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.293 22.182 -3.186 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.490 22.399 -1.458 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.826 24.995 -2.183 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -5.299 24.264 -3.704 1.00 1.79 H new ATOM 0 HE ARG A 147 -6.585 22.681 -1.694 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -6.455 26.011 -2.770 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -8.110 26.367 -2.265 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -8.702 23.142 -1.054 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -9.370 24.758 -1.303 1.00 3.37 H new ATOM 898 N ILE A 148 -0.955 20.796 -2.991 1.00 0.49 N ATOM 899 CA ILE A 148 -0.897 19.306 -2.998 1.00 0.44 C ATOM 900 C ILE A 148 -1.179 18.764 -1.593 1.00 0.46 C ATOM 901 O ILE A 148 -0.298 18.681 -0.760 1.00 0.63 O ATOM 902 CB ILE A 148 0.530 18.975 -3.432 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.795 19.592 -4.807 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.706 17.457 -3.511 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.100 19.033 -5.378 1.00 0.63 C ATOM 0 H ILE A 148 -0.156 21.259 -2.558 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.637 18.860 -3.662 1.00 0.44 H new ATOM 0 HB ILE A 148 1.234 19.381 -2.706 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.033 19.372 -5.481 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.858 20.677 -4.724 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.725 17.224 -3.821 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.515 17.017 -2.532 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.004 17.047 -4.236 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.287 19.474 -6.357 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.924 19.276 -4.707 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.020 17.950 -5.477 1.00 0.63 H new ATOM 917 N ASP A 149 -2.403 18.403 -1.322 1.00 0.48 N ATOM 918 CA ASP A 149 -2.747 17.876 0.030 1.00 0.53 C ATOM 919 C ASP A 149 -2.196 16.458 0.212 1.00 0.53 C ATOM 920 O ASP A 149 -1.872 15.778 -0.742 1.00 0.63 O ATOM 921 CB ASP A 149 -4.275 17.868 0.073 1.00 0.58 C ATOM 922 CG ASP A 149 -4.817 17.138 -1.157 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.337 16.053 -1.437 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.705 17.677 -1.798 1.00 1.65 O ATOM 0 H ASP A 149 -3.182 18.450 -1.979 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.317 18.482 0.828 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.621 17.377 0.982 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.654 18.890 0.099 1.00 0.58 H new ATOM 929 N TYR A 150 -2.090 16.009 1.433 1.00 0.58 N ATOM 930 CA TYR A 150 -1.562 14.637 1.687 1.00 0.60 C ATOM 931 C TYR A 150 -2.340 13.607 0.863 1.00 0.59 C ATOM 932 O TYR A 150 -1.764 12.754 0.217 1.00 0.63 O ATOM 933 CB TYR A 150 -1.778 14.405 3.184 1.00 0.73 C ATOM 934 CG TYR A 150 -1.410 12.983 3.544 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.548 12.247 2.720 1.00 1.15 C ATOM 936 CD2 TYR A 150 -1.930 12.401 4.707 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.208 10.932 3.058 1.00 1.43 C ATOM 938 CE2 TYR A 150 -1.589 11.085 5.045 1.00 1.56 C ATOM 939 CZ TYR A 150 -0.728 10.351 4.221 1.00 1.48 C ATOM 940 OH TYR A 150 -0.392 9.055 4.556 1.00 1.96 O ATOM 0 H TYR A 150 -2.347 16.535 2.269 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.514 14.537 1.405 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.171 15.104 3.760 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.819 14.597 3.444 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.146 12.695 1.823 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -2.594 12.967 5.343 1.00 1.22 H new ATOM 0 HE1 TYR A 150 0.456 10.365 2.422 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -1.991 10.637 5.942 1.00 1.56 H new ATOM 0 HH TYR A 150 -0.838 8.807 5.393 1.00 1.96 H new ATOM 950 N ASP A 151 -3.643 13.678 0.878 1.00 0.64 N ATOM 951 CA ASP A 151 -4.450 12.700 0.093 1.00 0.70 C ATOM 952 C ASP A 151 -3.888 12.573 -1.326 1.00 0.63 C ATOM 953 O ASP A 151 -3.659 11.487 -1.819 1.00 0.77 O ATOM 954 CB ASP A 151 -5.863 13.284 0.063 1.00 0.79 C ATOM 955 CG ASP A 151 -6.679 12.695 1.215 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.075 12.263 2.183 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.894 12.686 1.110 1.00 1.83 O ATOM 0 H ASP A 151 -4.183 14.369 1.399 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.433 11.702 0.532 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.822 14.370 0.149 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.342 13.058 -0.890 1.00 0.79 H new ATOM 962 N GLU A 152 -3.661 13.677 -1.984 1.00 0.54 N ATOM 963 CA GLU A 152 -3.111 13.621 -3.370 1.00 0.56 C ATOM 964 C GLU A 152 -1.615 13.295 -3.331 1.00 0.52 C ATOM 965 O GLU A 152 -0.996 13.055 -4.349 1.00 0.65 O ATOM 966 CB GLU A 152 -3.336 15.020 -3.944 1.00 0.60 C ATOM 967 CG GLU A 152 -4.827 15.234 -4.210 1.00 0.77 C ATOM 968 CD GLU A 152 -5.028 16.563 -4.940 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.049 17.099 -5.433 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.157 17.023 -4.994 1.00 1.40 O ATOM 0 H GLU A 152 -3.832 14.615 -1.623 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.591 12.850 -3.973 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.969 15.773 -3.247 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.771 15.140 -4.868 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.222 14.414 -4.810 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.379 15.236 -3.270 1.00 0.77 H new ATOM 977 N PHE A 153 -1.029 13.293 -2.166 1.00 0.46 N ATOM 978 CA PHE A 153 0.427 12.989 -2.063 1.00 0.46 C ATOM 979 C PHE A 153 0.691 11.521 -2.409 1.00 0.50 C ATOM 980 O PHE A 153 1.780 11.154 -2.805 1.00 0.64 O ATOM 981 CB PHE A 153 0.787 13.268 -0.604 1.00 0.49 C ATOM 982 CG PHE A 153 2.286 13.227 -0.439 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.072 14.276 -0.928 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.890 12.139 0.203 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.463 14.238 -0.775 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.281 12.101 0.355 1.00 0.61 C ATOM 987 CZ PHE A 153 5.067 13.151 -0.133 1.00 0.68 C ATOM 0 H PHE A 153 -1.495 13.489 -1.280 1.00 0.46 H new ATOM 0 HA PHE A 153 1.022 13.588 -2.753 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.404 14.243 -0.304 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.319 12.528 0.045 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.606 15.115 -1.423 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.283 11.330 0.581 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.070 15.048 -1.152 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.748 11.261 0.849 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.140 13.122 -0.014 1.00 0.68 H new ATOM 997 N LEU A 154 -0.293 10.679 -2.260 1.00 0.53 N ATOM 998 CA LEU A 154 -0.093 9.236 -2.580 1.00 0.62 C ATOM 999 C LEU A 154 -0.196 9.008 -4.090 1.00 0.65 C ATOM 1000 O LEU A 154 0.724 8.524 -4.719 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.223 8.509 -1.848 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.700 7.956 -0.521 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.509 7.057 -0.783 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.283 9.116 0.386 1.00 1.20 C ATOM 0 H LEU A 154 -1.226 10.926 -1.931 1.00 0.53 H new ATOM 0 HA LEU A 154 0.889 8.877 -2.273 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.052 9.193 -1.667 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.608 7.698 -2.466 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.485 7.377 -0.035 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.881 6.663 0.163 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.214 6.230 -1.429 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.294 7.636 -1.269 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.090 8.723 1.332 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.502 9.695 -0.101 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.143 9.758 0.574 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.310 9.351 -4.677 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.472 9.151 -6.146 1.00 0.81 C ATOM 1018 C GLU A 155 -0.416 9.951 -6.913 1.00 0.76 C ATOM 1019 O GLU A 155 -0.211 9.752 -8.094 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.874 9.672 -6.465 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.479 8.845 -7.601 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.400 7.773 -7.016 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -4.195 7.403 -5.872 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -5.295 7.339 -7.723 1.00 2.57 O ATOM 0 H GLU A 155 -2.115 9.761 -4.203 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.348 8.107 -6.434 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.507 9.611 -5.579 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.827 10.723 -6.751 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.039 9.491 -8.277 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -2.687 8.379 -8.188 1.00 1.41 H new ATOM 1031 N PHE A 156 0.255 10.855 -6.253 1.00 0.66 N ATOM 1032 CA PHE A 156 1.295 11.666 -6.950 1.00 0.77 C ATOM 1033 C PHE A 156 2.499 10.791 -7.309 1.00 0.71 C ATOM 1034 O PHE A 156 2.980 10.808 -8.424 1.00 0.88 O ATOM 1035 CB PHE A 156 1.698 12.744 -5.943 1.00 0.84 C ATOM 1036 CG PHE A 156 2.951 13.435 -6.422 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.182 13.596 -7.793 1.00 1.49 C ATOM 1038 CD2 PHE A 156 3.884 13.915 -5.495 1.00 1.09 C ATOM 1039 CE1 PHE A 156 4.346 14.237 -8.237 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.047 14.556 -5.938 1.00 1.31 C ATOM 1041 CZ PHE A 156 5.278 14.717 -7.309 1.00 1.53 C ATOM 0 H PHE A 156 0.129 11.067 -5.263 1.00 0.66 H new ATOM 0 HA PHE A 156 0.926 12.095 -7.882 1.00 0.77 H new ATOM 0 HB2 PHE A 156 0.892 13.468 -5.827 1.00 0.84 H new ATOM 0 HB3 PHE A 156 1.868 12.297 -4.964 1.00 0.84 H new ATOM 0 HD1 PHE A 156 2.463 13.226 -8.509 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.706 13.791 -4.437 1.00 1.09 H new ATOM 0 HE1 PHE A 156 4.524 14.361 -9.295 1.00 1.72 H new ATOM 0 HE2 PHE A 156 5.766 14.926 -5.222 1.00 1.31 H new ATOM 0 HZ PHE A 156 6.175 15.211 -7.651 1.00 1.53 H new ATOM 1051 N MET A 157 2.991 10.029 -6.371 1.00 0.61 N ATOM 1052 CA MET A 157 4.167 9.158 -6.659 1.00 0.69 C ATOM 1053 C MET A 157 3.709 7.732 -6.982 1.00 0.83 C ATOM 1054 O MET A 157 4.314 7.044 -7.780 1.00 1.17 O ATOM 1055 CB MET A 157 4.999 9.179 -5.376 1.00 0.84 C ATOM 1056 CG MET A 157 4.188 8.578 -4.226 1.00 0.92 C ATOM 1057 SD MET A 157 5.258 8.354 -2.783 1.00 1.56 S ATOM 1058 CE MET A 157 6.163 9.914 -2.927 1.00 0.90 C ATOM 0 H MET A 157 2.631 9.971 -5.419 1.00 0.61 H new ATOM 0 HA MET A 157 4.737 9.507 -7.520 1.00 0.69 H new ATOM 0 HB2 MET A 157 5.920 8.614 -5.519 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.287 10.202 -5.135 1.00 0.84 H new ATOM 0 HG2 MET A 157 3.353 9.233 -3.975 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.763 7.621 -4.528 1.00 0.92 H new ATOM 0 HE1 MET A 157 6.649 10.142 -1.978 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.917 9.826 -3.709 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.469 10.715 -3.181 1.00 0.90 H new ATOM 1068 N LYS A 158 2.647 7.284 -6.369 1.00 0.86 N ATOM 1069 CA LYS A 158 2.154 5.902 -6.640 1.00 1.07 C ATOM 1070 C LYS A 158 3.330 4.924 -6.724 1.00 1.36 C ATOM 1071 O LYS A 158 3.371 4.059 -7.576 1.00 1.73 O ATOM 1072 CB LYS A 158 1.436 5.993 -7.988 1.00 1.28 C ATOM 1073 CG LYS A 158 0.335 4.933 -8.051 1.00 1.66 C ATOM 1074 CD LYS A 158 -1.004 5.604 -8.365 1.00 2.24 C ATOM 1075 CE LYS A 158 -2.078 4.532 -8.560 1.00 2.85 C ATOM 1076 NZ LYS A 158 -2.759 4.897 -9.833 1.00 3.52 N ATOM 0 H LYS A 158 2.099 7.815 -5.692 1.00 0.86 H new ATOM 0 HA LYS A 158 1.496 5.539 -5.851 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.007 6.987 -8.117 1.00 1.28 H new ATOM 0 HB3 LYS A 158 2.146 5.844 -8.801 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.571 4.193 -8.816 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.273 4.401 -7.102 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.287 6.274 -7.553 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.916 6.213 -9.264 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -1.637 3.537 -8.620 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -2.780 4.520 -7.726 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -3.510 4.207 -10.035 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -3.175 5.846 -9.744 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -2.068 4.894 -10.610 1.00 3.52 H new