USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 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 57:sc= 1.58 USER MOD Set 1.2: A 150 TYR OH : rot 0:sc= -3.2! USER MOD Single : A 92 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.123) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 155:sc= -0.0961 (180deg=-0.626) USER MOD Single : A 107 ASN : amide:sc= -0.0545 K(o=-0.055,f=-1.2!) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00107) USER MOD Single : A 120 MET CE :methyl -162:sc= -1.34 (180deg=-2.16) USER MOD Single : A 122 GLN : amide:sc= 0.305 X(o=0.31,f=0) USER MOD Single : A 124 THR OG1 : rot -43:sc= 0.0607 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot -83:sc= 0.679 USER MOD Single : A 137 MET CE :methyl -116:sc= -11.2! (180deg=-13.2!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= 0.681 K(o=0.68,f=-3.2!) USER MOD Single : A 144 ASN : amide:sc= -1.34! C(o=-1.3!,f=-5.1!) USER MOD Single : A 157 MET CE :methyl -137:sc=-9.71e-05 (180deg=-0.232) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 7.228 6.150 1.713 1.00 1.27 N ATOM 28 CA LYS A 92 6.779 4.729 1.684 1.00 1.47 C ATOM 29 C LYS A 92 5.251 4.660 1.721 1.00 1.40 C ATOM 30 O LYS A 92 4.596 4.603 0.699 1.00 1.56 O ATOM 31 CB LYS A 92 7.374 4.101 2.944 1.00 1.61 C ATOM 32 CG LYS A 92 8.869 3.850 2.733 1.00 1.94 C ATOM 33 CD LYS A 92 9.644 4.315 3.967 1.00 2.31 C ATOM 34 CE LYS A 92 10.626 3.222 4.396 1.00 2.59 C ATOM 35 NZ LYS A 92 9.783 2.183 5.051 1.00 3.20 N ATOM 0 HA LYS A 92 7.100 4.211 0.780 1.00 1.47 H new ATOM 0 HB2 LYS A 92 7.222 4.761 3.798 1.00 1.61 H new ATOM 0 HB3 LYS A 92 6.866 3.164 3.171 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.049 2.790 2.556 1.00 1.94 H new ATOM 0 HG3 LYS A 92 9.217 4.385 1.849 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.183 5.236 3.745 1.00 2.31 H new ATOM 0 HD3 LYS A 92 8.953 4.538 4.780 1.00 2.31 H new ATOM 0 HE2 LYS A 92 11.161 2.813 3.539 1.00 2.59 H new ATOM 0 HE3 LYS A 92 11.376 3.613 5.083 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 10.090 2.057 6.037 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 8.787 2.483 5.034 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 9.882 1.283 4.540 1.00 3.20 H new ATOM 49 N SER A 93 4.678 4.671 2.892 1.00 1.38 N ATOM 50 CA SER A 93 3.192 4.611 2.996 1.00 1.40 C ATOM 51 C SER A 93 2.684 5.757 3.873 1.00 1.20 C ATOM 52 O SER A 93 3.440 6.607 4.300 1.00 1.08 O ATOM 53 CB SER A 93 2.894 3.263 3.651 1.00 1.60 C ATOM 54 OG SER A 93 2.100 2.479 2.771 1.00 2.20 O ATOM 0 H SER A 93 5.174 4.719 3.782 1.00 1.38 H new ATOM 0 HA SER A 93 2.703 4.708 2.026 1.00 1.40 H new ATOM 0 HB2 SER A 93 3.824 2.743 3.880 1.00 1.60 H new ATOM 0 HB3 SER A 93 2.371 3.412 4.596 1.00 1.60 H new ATOM 0 HG SER A 93 1.908 1.613 3.187 1.00 2.20 H new ATOM 60 N GLU A 94 1.410 5.786 4.151 1.00 1.26 N ATOM 61 CA GLU A 94 0.861 6.878 5.005 1.00 1.17 C ATOM 62 C GLU A 94 1.685 7.011 6.288 1.00 1.12 C ATOM 63 O GLU A 94 1.669 8.034 6.944 1.00 1.09 O ATOM 64 CB GLU A 94 -0.570 6.447 5.324 1.00 1.33 C ATOM 65 CG GLU A 94 -1.305 6.119 4.023 1.00 1.28 C ATOM 66 CD GLU A 94 -2.649 6.849 3.996 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.808 7.785 4.761 1.00 1.94 O ATOM 68 OE2 GLU A 94 -3.496 6.459 3.209 1.00 2.09 O ATOM 0 H GLU A 94 0.726 5.103 3.825 1.00 1.26 H new ATOM 0 HA GLU A 94 0.892 7.848 4.509 1.00 1.17 H new ATOM 0 HB2 GLU A 94 -0.561 5.576 5.979 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -1.090 7.242 5.858 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.700 6.417 3.167 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -1.462 5.043 3.943 1.00 1.28 H new ATOM 75 N GLU A 95 2.410 5.987 6.650 1.00 1.19 N ATOM 76 CA GLU A 95 3.237 6.060 7.888 1.00 1.23 C ATOM 77 C GLU A 95 4.394 7.043 7.687 1.00 1.03 C ATOM 78 O GLU A 95 4.587 7.957 8.464 1.00 1.01 O ATOM 79 CB GLU A 95 3.769 4.642 8.093 1.00 1.45 C ATOM 80 CG GLU A 95 4.615 4.593 9.367 1.00 1.90 C ATOM 81 CD GLU A 95 5.235 3.202 9.514 1.00 2.12 C ATOM 82 OE1 GLU A 95 6.000 2.821 8.643 1.00 2.66 O ATOM 83 OE2 GLU A 95 4.933 2.541 10.494 1.00 2.49 O ATOM 0 H GLU A 95 2.465 5.104 6.142 1.00 1.19 H new ATOM 0 HA GLU A 95 2.666 6.408 8.749 1.00 1.23 H new ATOM 0 HB2 GLU A 95 2.940 3.938 8.167 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.368 4.339 7.234 1.00 1.45 H new ATOM 0 HG2 GLU A 95 5.399 5.350 9.325 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.997 4.821 10.236 1.00 1.90 H new ATOM 90 N GLU A 96 5.162 6.862 6.647 1.00 1.02 N ATOM 91 CA GLU A 96 6.304 7.787 6.394 1.00 0.94 C ATOM 92 C GLU A 96 5.853 8.944 5.499 1.00 0.79 C ATOM 93 O GLU A 96 6.440 10.007 5.499 1.00 0.82 O ATOM 94 CB GLU A 96 7.354 6.935 5.680 1.00 1.15 C ATOM 95 CG GLU A 96 8.751 7.471 6.003 1.00 1.62 C ATOM 96 CD GLU A 96 9.550 6.398 6.746 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.940 5.626 7.467 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.758 6.367 6.580 1.00 2.78 O ATOM 0 H GLU A 96 5.048 6.115 5.962 1.00 1.02 H new ATOM 0 HA GLU A 96 6.693 8.226 7.313 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.270 5.895 5.995 1.00 1.15 H new ATOM 0 HB3 GLU A 96 7.184 6.956 4.603 1.00 1.15 H new ATOM 0 HG2 GLU A 96 9.266 7.752 5.084 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.675 8.371 6.613 1.00 1.62 H new ATOM 105 N LEU A 97 4.812 8.745 4.738 1.00 0.77 N ATOM 106 CA LEU A 97 4.323 9.833 3.845 1.00 0.71 C ATOM 107 C LEU A 97 3.777 10.994 4.682 1.00 0.67 C ATOM 108 O LEU A 97 3.957 12.148 4.350 1.00 0.75 O ATOM 109 CB LEU A 97 3.209 9.195 3.015 1.00 0.80 C ATOM 110 CG LEU A 97 3.815 8.190 2.034 1.00 0.77 C ATOM 111 CD1 LEU A 97 2.704 7.567 1.187 1.00 1.40 C ATOM 112 CD2 LEU A 97 4.810 8.907 1.119 1.00 1.22 C ATOM 0 H LEU A 97 4.279 7.876 4.696 1.00 0.77 H new ATOM 0 HA LEU A 97 5.114 10.240 3.215 1.00 0.71 H new ATOM 0 HB2 LEU A 97 2.494 8.695 3.669 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.660 9.964 2.472 1.00 0.80 H new ATOM 0 HG LEU A 97 4.330 7.407 2.590 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.137 6.851 0.488 1.00 1.40 H new ATOM 0 HD12 LEU A 97 1.994 7.056 1.837 1.00 1.40 H new ATOM 0 HD13 LEU A 97 2.188 8.350 0.631 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.242 8.191 0.420 1.00 1.22 H new ATOM 0 HD22 LEU A 97 4.294 9.691 0.564 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.603 9.351 1.721 1.00 1.22 H new ATOM 124 N SER A 98 3.114 10.698 5.768 1.00 0.69 N ATOM 125 CA SER A 98 2.565 11.789 6.623 1.00 0.76 C ATOM 126 C SER A 98 3.692 12.733 7.046 1.00 0.72 C ATOM 127 O SER A 98 3.648 13.921 6.793 1.00 0.77 O ATOM 128 CB SER A 98 1.968 11.083 7.840 1.00 0.92 C ATOM 129 OG SER A 98 0.716 11.676 8.159 1.00 1.57 O ATOM 0 H SER A 98 2.930 9.751 6.099 1.00 0.69 H new ATOM 0 HA SER A 98 1.820 12.390 6.102 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.838 10.021 7.631 1.00 0.92 H new ATOM 0 HB3 SER A 98 2.647 11.160 8.689 1.00 0.92 H new ATOM 0 HG SER A 98 0.121 11.623 7.382 1.00 1.57 H new ATOM 135 N ASP A 99 4.708 12.212 7.680 1.00 0.80 N ATOM 136 CA ASP A 99 5.842 13.080 8.108 1.00 0.86 C ATOM 137 C ASP A 99 6.638 13.528 6.881 1.00 0.81 C ATOM 138 O ASP A 99 7.312 14.539 6.898 1.00 0.91 O ATOM 139 CB ASP A 99 6.701 12.198 9.015 1.00 1.02 C ATOM 140 CG ASP A 99 7.754 13.059 9.716 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.518 14.247 9.859 1.00 1.83 O ATOM 142 OD2 ASP A 99 8.777 12.516 10.097 1.00 1.79 O ATOM 0 H ASP A 99 4.801 11.225 7.919 1.00 0.80 H new ATOM 0 HA ASP A 99 5.508 13.980 8.624 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.074 11.698 9.754 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.186 11.418 8.428 1.00 1.02 H new ATOM 147 N LEU A 100 6.561 12.781 5.813 1.00 0.75 N ATOM 148 CA LEU A 100 7.307 13.162 4.581 1.00 0.76 C ATOM 149 C LEU A 100 6.508 14.198 3.788 1.00 0.68 C ATOM 150 O LEU A 100 7.059 14.999 3.059 1.00 0.79 O ATOM 151 CB LEU A 100 7.444 11.864 3.784 1.00 0.86 C ATOM 152 CG LEU A 100 8.307 12.115 2.547 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.783 12.122 2.947 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.064 11.004 1.523 1.00 1.41 C ATOM 0 H LEU A 100 6.014 11.923 5.741 1.00 0.75 H new ATOM 0 HA LEU A 100 8.278 13.606 4.802 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.895 11.090 4.404 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.460 11.501 3.487 1.00 0.86 H new ATOM 0 HG LEU A 100 8.044 13.078 2.110 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.398 12.301 2.065 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.958 12.911 3.678 1.00 1.41 H new ATOM 0 HD13 LEU A 100 10.046 11.159 3.384 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.679 11.182 0.641 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.328 10.041 1.961 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.012 10.996 1.237 1.00 1.41 H new ATOM 166 N PHE A 101 5.210 14.191 3.929 1.00 0.60 N ATOM 167 CA PHE A 101 4.373 15.178 3.190 1.00 0.59 C ATOM 168 C PHE A 101 4.653 16.590 3.708 1.00 0.60 C ATOM 169 O PHE A 101 4.833 17.518 2.945 1.00 0.72 O ATOM 170 CB PHE A 101 2.930 14.771 3.488 1.00 0.61 C ATOM 171 CG PHE A 101 1.985 15.767 2.860 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.245 16.269 1.579 1.00 0.68 C ATOM 173 CD2 PHE A 101 0.848 16.189 3.560 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.367 17.192 0.997 1.00 0.73 C ATOM 175 CE2 PHE A 101 -0.030 17.112 2.978 1.00 0.90 C ATOM 176 CZ PHE A 101 0.230 17.614 1.697 1.00 0.69 C ATOM 0 H PHE A 101 4.693 13.544 4.524 1.00 0.60 H new ATOM 0 HA PHE A 101 4.580 15.184 2.120 1.00 0.59 H new ATOM 0 HB2 PHE A 101 2.735 13.772 3.097 1.00 0.61 H new ATOM 0 HB3 PHE A 101 2.768 14.729 4.565 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.123 15.944 1.040 1.00 0.68 H new ATOM 0 HD2 PHE A 101 0.648 15.803 4.549 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.567 17.578 0.008 1.00 0.73 H new ATOM 0 HE2 PHE A 101 -0.908 17.437 3.517 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.446 18.327 1.249 1.00 0.69 H new ATOM 186 N ARG A 102 4.696 16.757 5.002 1.00 0.67 N ATOM 187 CA ARG A 102 4.971 18.106 5.571 1.00 0.76 C ATOM 188 C ARG A 102 6.479 18.368 5.593 1.00 0.68 C ATOM 189 O ARG A 102 6.924 19.485 5.762 1.00 0.78 O ATOM 190 CB ARG A 102 4.415 18.055 6.995 1.00 0.99 C ATOM 191 CG ARG A 102 5.246 17.083 7.834 1.00 1.30 C ATOM 192 CD ARG A 102 4.411 16.590 9.019 1.00 1.45 C ATOM 193 NE ARG A 102 4.912 17.362 10.190 1.00 2.12 N ATOM 194 CZ ARG A 102 4.575 17.009 11.401 1.00 2.71 C ATOM 195 NH1 ARG A 102 3.797 15.977 11.593 1.00 3.07 N ATOM 196 NH2 ARG A 102 5.019 17.688 12.424 1.00 3.37 N ATOM 0 H ARG A 102 4.552 16.017 5.689 1.00 0.67 H new ATOM 0 HA ARG A 102 4.516 18.905 4.985 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.439 19.049 7.442 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.372 17.738 6.978 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.564 16.238 7.223 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.150 17.576 8.192 1.00 1.30 H new ATOM 0 HD2 ARG A 102 3.348 16.768 8.854 1.00 1.45 H new ATOM 0 HD3 ARG A 102 4.535 15.518 9.171 1.00 1.45 H new ATOM 0 HE ARG A 102 5.520 18.168 10.046 1.00 2.12 H new ATOM 0 HH11 ARG A 102 3.451 15.444 10.795 1.00 3.07 H new ATOM 0 HH12 ARG A 102 3.536 15.704 12.541 1.00 3.07 H new ATOM 0 HH21 ARG A 102 5.628 18.493 12.276 1.00 3.37 H new ATOM 0 HH22 ARG A 102 4.757 17.414 13.371 1.00 3.37 H new ATOM 210 N MET A 103 7.267 17.342 5.421 1.00 0.71 N ATOM 211 CA MET A 103 8.747 17.527 5.431 1.00 0.75 C ATOM 212 C MET A 103 9.200 18.218 4.142 1.00 0.68 C ATOM 213 O MET A 103 9.824 19.260 4.174 1.00 0.83 O ATOM 214 CB MET A 103 9.322 16.112 5.512 1.00 0.93 C ATOM 215 CG MET A 103 10.842 16.167 5.349 1.00 1.27 C ATOM 216 SD MET A 103 11.523 14.495 5.482 1.00 1.82 S ATOM 217 CE MET A 103 13.243 14.974 5.776 1.00 2.43 C ATOM 0 H MET A 103 6.951 16.384 5.274 1.00 0.71 H new ATOM 0 HA MET A 103 9.081 18.150 6.260 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.065 15.658 6.469 1.00 0.93 H new ATOM 0 HB3 MET A 103 8.885 15.486 4.734 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.100 16.600 4.383 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.278 16.811 6.113 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.855 14.080 5.890 1.00 2.43 H new ATOM 0 HE2 MET A 103 13.608 15.558 4.931 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.304 15.573 6.684 1.00 2.43 H new ATOM 227 N PHE A 104 8.891 17.648 3.009 1.00 0.68 N ATOM 228 CA PHE A 104 9.307 18.278 1.723 1.00 0.79 C ATOM 229 C PHE A 104 8.713 19.684 1.608 1.00 0.71 C ATOM 230 O PHE A 104 9.299 20.568 1.014 1.00 0.88 O ATOM 231 CB PHE A 104 8.740 17.371 0.628 1.00 0.94 C ATOM 232 CG PHE A 104 9.466 16.045 0.622 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.838 15.986 0.906 1.00 1.26 C ATOM 234 CD2 PHE A 104 8.764 14.869 0.328 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.503 14.754 0.895 1.00 1.86 C ATOM 236 CE2 PHE A 104 9.430 13.638 0.317 1.00 2.65 C ATOM 237 CZ PHE A 104 10.799 13.581 0.601 1.00 2.56 C ATOM 0 H PHE A 104 8.370 16.776 2.918 1.00 0.68 H new ATOM 0 HA PHE A 104 10.390 18.379 1.648 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.675 17.210 0.794 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.842 17.854 -0.344 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.382 16.891 1.133 1.00 1.26 H new ATOM 0 HD2 PHE A 104 7.707 14.912 0.109 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.560 14.709 1.114 1.00 1.86 H new ATOM 0 HE2 PHE A 104 8.887 12.732 0.089 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.313 12.631 0.593 1.00 2.56 H new ATOM 247 N ASP A 105 7.555 19.899 2.170 1.00 0.61 N ATOM 248 CA ASP A 105 6.928 21.250 2.088 1.00 0.60 C ATOM 249 C ASP A 105 7.802 22.284 2.802 1.00 0.56 C ATOM 250 O ASP A 105 7.527 22.680 3.917 1.00 0.63 O ATOM 251 CB ASP A 105 5.581 21.106 2.798 1.00 0.68 C ATOM 252 CG ASP A 105 4.918 22.479 2.916 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.800 23.147 1.901 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.541 22.841 4.018 1.00 1.45 O ATOM 0 H ASP A 105 7.016 19.200 2.681 1.00 0.61 H new ATOM 0 HA ASP A 105 6.812 21.589 1.058 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.936 20.425 2.243 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.724 20.673 3.788 1.00 0.68 H new ATOM 259 N LYS A 106 8.854 22.726 2.167 1.00 0.59 N ATOM 260 CA LYS A 106 9.743 23.734 2.810 1.00 0.66 C ATOM 261 C LYS A 106 8.924 24.942 3.274 1.00 0.55 C ATOM 262 O LYS A 106 9.349 25.705 4.119 1.00 0.63 O ATOM 263 CB LYS A 106 10.734 24.143 1.719 1.00 0.87 C ATOM 264 CG LYS A 106 12.153 23.775 2.155 1.00 1.21 C ATOM 265 CD LYS A 106 12.994 25.046 2.286 1.00 1.61 C ATOM 266 CE LYS A 106 14.478 24.691 2.174 1.00 1.77 C ATOM 267 NZ LYS A 106 14.793 24.820 0.724 1.00 2.14 N ATOM 0 H LYS A 106 9.135 22.432 1.232 1.00 0.59 H new ATOM 0 HA LYS A 106 10.249 23.337 3.690 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.488 23.642 0.783 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.665 25.215 1.534 1.00 0.87 H new ATOM 0 HG2 LYS A 106 12.126 23.245 3.107 1.00 1.21 H new ATOM 0 HG3 LYS A 106 12.605 23.101 1.427 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.720 25.758 1.507 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.796 25.529 3.243 1.00 1.61 H new ATOM 0 HE2 LYS A 106 15.092 25.364 2.773 1.00 1.77 H new ATOM 0 HE3 LYS A 106 14.671 23.680 2.532 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.808 25.014 0.605 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.551 23.934 0.236 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.241 25.602 0.317 1.00 2.14 H new ATOM 281 N ASN A 107 7.752 25.121 2.729 1.00 0.48 N ATOM 282 CA ASN A 107 6.907 26.278 3.142 1.00 0.50 C ATOM 283 C ASN A 107 6.162 25.951 4.438 1.00 0.58 C ATOM 284 O ASN A 107 5.664 26.827 5.117 1.00 0.70 O ATOM 285 CB ASN A 107 5.920 26.480 1.992 1.00 0.54 C ATOM 286 CG ASN A 107 5.319 27.884 2.077 1.00 0.70 C ATOM 287 OD1 ASN A 107 6.003 28.832 2.407 1.00 1.00 O ATOM 288 ND2 ASN A 107 4.058 28.060 1.790 1.00 0.78 N ATOM 0 H ASN A 107 7.343 24.517 2.016 1.00 0.48 H new ATOM 0 HA ASN A 107 7.498 27.174 3.332 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.427 26.347 1.036 1.00 0.54 H new ATOM 0 HB3 ASN A 107 5.130 25.731 2.041 1.00 0.54 H new ATOM 0 HD21 ASN A 107 3.648 28.993 1.843 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.482 27.265 1.513 1.00 0.78 H new ATOM 295 N ALA A 108 6.080 24.696 4.786 1.00 0.65 N ATOM 296 CA ALA A 108 5.366 24.315 6.038 1.00 0.84 C ATOM 297 C ALA A 108 3.979 24.963 6.073 1.00 0.78 C ATOM 298 O ALA A 108 3.742 25.903 6.806 1.00 0.96 O ATOM 299 CB ALA A 108 6.241 24.853 7.170 1.00 1.03 C ATOM 0 H ALA A 108 6.476 23.918 4.258 1.00 0.65 H new ATOM 0 HA ALA A 108 5.214 23.239 6.118 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.783 24.613 8.129 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.229 24.396 7.115 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.336 25.935 7.074 1.00 1.03 H new ATOM 305 N ASP A 109 3.062 24.469 5.286 1.00 0.73 N ATOM 306 CA ASP A 109 1.692 25.061 5.275 1.00 0.74 C ATOM 307 C ASP A 109 0.633 23.957 5.183 1.00 0.78 C ATOM 308 O ASP A 109 -0.545 24.226 5.054 1.00 0.96 O ATOM 309 CB ASP A 109 1.653 25.944 4.028 1.00 0.72 C ATOM 310 CG ASP A 109 1.788 25.070 2.780 1.00 1.15 C ATOM 311 OD1 ASP A 109 2.663 24.219 2.770 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.016 25.264 1.857 1.00 1.95 O ATOM 0 H ASP A 109 3.201 23.683 4.651 1.00 0.73 H new ATOM 0 HA ASP A 109 1.481 25.625 6.184 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.718 26.503 3.994 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.460 26.675 4.062 1.00 0.72 H new ATOM 317 N GLY A 110 1.040 22.719 5.248 1.00 0.76 N ATOM 318 CA GLY A 110 0.052 21.606 5.164 1.00 0.85 C ATOM 319 C GLY A 110 -0.137 21.196 3.702 1.00 0.70 C ATOM 320 O GLY A 110 -0.428 20.056 3.400 1.00 0.73 O ATOM 0 H GLY A 110 2.012 22.430 5.355 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.398 20.754 5.749 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.901 21.919 5.590 1.00 0.85 H new ATOM 324 N TYR A 111 0.026 22.117 2.791 1.00 0.68 N ATOM 325 CA TYR A 111 -0.145 21.775 1.349 1.00 0.60 C ATOM 326 C TYR A 111 1.146 22.063 0.579 1.00 0.58 C ATOM 327 O TYR A 111 2.006 22.789 1.038 1.00 0.83 O ATOM 328 CB TYR A 111 -1.271 22.684 0.853 1.00 0.68 C ATOM 329 CG TYR A 111 -2.531 22.411 1.639 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.660 22.894 2.947 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.574 21.680 1.058 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.830 22.644 3.674 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.744 21.430 1.785 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.872 21.913 3.093 1.00 0.80 C ATOM 335 OH TYR A 111 -6.026 21.668 3.808 1.00 0.90 O ATOM 0 H TYR A 111 0.270 23.089 2.982 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.377 20.720 1.204 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.982 23.729 0.963 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.449 22.512 -0.209 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.857 23.460 3.395 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.476 21.309 0.049 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.928 23.015 4.683 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.548 20.865 1.337 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.648 21.148 3.257 1.00 0.90 H new ATOM 345 N ILE A 112 1.287 21.501 -0.590 1.00 0.50 N ATOM 346 CA ILE A 112 2.520 21.746 -1.393 1.00 0.50 C ATOM 347 C ILE A 112 2.158 22.434 -2.712 1.00 0.49 C ATOM 348 O ILE A 112 1.172 22.108 -3.342 1.00 0.66 O ATOM 349 CB ILE A 112 3.107 20.359 -1.653 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.686 19.800 -0.351 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.218 20.463 -2.700 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.004 18.314 -0.528 1.00 0.66 C ATOM 0 H ILE A 112 0.602 20.883 -1.025 1.00 0.50 H new ATOM 0 HA ILE A 112 3.228 22.395 -0.878 1.00 0.50 H new ATOM 0 HB ILE A 112 2.324 19.695 -2.019 1.00 0.50 H new ATOM 0 HG12 ILE A 112 4.589 20.346 -0.079 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.974 19.936 0.463 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.637 19.474 -2.886 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.808 20.863 -3.627 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.002 21.126 -2.334 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.416 17.917 0.400 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.091 17.774 -0.780 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.731 18.191 -1.330 1.00 0.66 H new ATOM 364 N ASP A 113 2.947 23.384 -3.133 1.00 0.47 N ATOM 365 CA ASP A 113 2.642 24.092 -4.409 1.00 0.50 C ATOM 366 C ASP A 113 3.674 23.726 -5.480 1.00 0.50 C ATOM 367 O ASP A 113 4.555 22.919 -5.259 1.00 0.57 O ATOM 368 CB ASP A 113 2.728 25.580 -4.067 1.00 0.60 C ATOM 369 CG ASP A 113 1.470 26.002 -3.305 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.440 25.816 -2.099 1.00 1.77 O ATOM 371 OD2 ASP A 113 0.558 26.505 -3.940 1.00 1.85 O ATOM 0 H ASP A 113 3.788 23.700 -2.650 1.00 0.47 H new ATOM 0 HA ASP A 113 1.664 23.821 -4.807 1.00 0.50 H new ATOM 0 HB2 ASP A 113 3.614 25.775 -3.463 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.828 26.168 -4.979 1.00 0.60 H new ATOM 376 N LEU A 114 3.569 24.315 -6.640 1.00 0.52 N ATOM 377 CA LEU A 114 4.541 24.003 -7.728 1.00 0.57 C ATOM 378 C LEU A 114 5.908 24.614 -7.411 1.00 0.63 C ATOM 379 O LEU A 114 6.938 24.020 -7.663 1.00 0.80 O ATOM 380 CB LEU A 114 3.948 24.644 -8.983 1.00 0.62 C ATOM 381 CG LEU A 114 2.767 23.807 -9.477 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.540 24.704 -9.649 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.123 23.169 -10.821 1.00 0.81 C ATOM 0 H LEU A 114 2.852 24.999 -6.882 1.00 0.52 H new ATOM 0 HA LEU A 114 4.694 22.930 -7.849 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.620 25.660 -8.764 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.708 24.714 -9.761 1.00 0.62 H new ATOM 0 HG LEU A 114 2.546 23.026 -8.749 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.699 24.107 -10.001 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.286 25.160 -8.692 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.760 25.485 -10.376 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.282 22.572 -11.174 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.344 23.951 -11.548 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.997 22.529 -10.700 1.00 0.81 H new ATOM 395 N ASP A 115 5.926 25.799 -6.865 1.00 0.61 N ATOM 396 CA ASP A 115 7.227 26.450 -6.538 1.00 0.71 C ATOM 397 C ASP A 115 7.941 25.687 -5.418 1.00 0.65 C ATOM 398 O ASP A 115 9.141 25.783 -5.256 1.00 0.89 O ATOM 399 CB ASP A 115 6.857 27.859 -6.074 1.00 0.80 C ATOM 400 CG ASP A 115 6.968 28.830 -7.251 1.00 1.17 C ATOM 401 OD1 ASP A 115 6.058 28.852 -8.064 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.961 29.535 -7.320 1.00 1.76 O ATOM 0 H ASP A 115 5.097 26.345 -6.631 1.00 0.61 H new ATOM 0 HA ASP A 115 7.905 26.464 -7.391 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.842 27.868 -5.676 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.518 28.173 -5.266 1.00 0.80 H new ATOM 407 N GLU A 116 7.213 24.931 -4.642 1.00 0.51 N ATOM 408 CA GLU A 116 7.855 24.167 -3.533 1.00 0.48 C ATOM 409 C GLU A 116 8.086 22.711 -3.950 1.00 0.49 C ATOM 410 O GLU A 116 8.824 21.984 -3.315 1.00 0.63 O ATOM 411 CB GLU A 116 6.859 24.240 -2.375 1.00 0.48 C ATOM 412 CG GLU A 116 6.611 25.704 -2.006 1.00 0.57 C ATOM 413 CD GLU A 116 5.179 25.864 -1.492 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.401 24.941 -1.666 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.884 26.908 -0.933 1.00 1.36 O ATOM 0 H GLU A 116 6.204 24.809 -4.727 1.00 0.51 H new ATOM 0 HA GLU A 116 8.829 24.576 -3.263 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.921 23.761 -2.657 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.247 23.697 -1.513 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.321 26.023 -1.243 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.770 26.342 -2.876 1.00 0.57 H new ATOM 422 N LEU A 117 7.457 22.278 -5.008 1.00 0.48 N ATOM 423 CA LEU A 117 7.639 20.867 -5.458 1.00 0.52 C ATOM 424 C LEU A 117 9.047 20.659 -6.025 1.00 0.58 C ATOM 425 O LEU A 117 9.591 19.574 -5.973 1.00 0.69 O ATOM 426 CB LEU A 117 6.589 20.662 -6.551 1.00 0.55 C ATOM 427 CG LEU A 117 5.249 20.294 -5.911 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.119 20.555 -6.909 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.257 18.812 -5.529 1.00 0.53 C ATOM 0 H LEU A 117 6.826 22.839 -5.580 1.00 0.48 H new ATOM 0 HA LEU A 117 7.523 20.159 -4.637 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.483 21.571 -7.143 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.907 19.873 -7.232 1.00 0.55 H new ATOM 0 HG LEU A 117 5.094 20.900 -5.018 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.164 20.293 -6.454 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.113 21.610 -7.184 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.274 19.948 -7.801 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.303 18.549 -5.073 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.411 18.207 -6.422 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.063 18.624 -4.819 1.00 0.53 H new ATOM 441 N LYS A 118 9.639 21.687 -6.569 1.00 0.59 N ATOM 442 CA LYS A 118 11.009 21.539 -7.143 1.00 0.69 C ATOM 443 C LYS A 118 12.072 21.844 -6.083 1.00 0.64 C ATOM 444 O LYS A 118 13.248 21.618 -6.288 1.00 0.73 O ATOM 445 CB LYS A 118 11.074 22.563 -8.278 1.00 0.83 C ATOM 446 CG LYS A 118 11.192 23.971 -7.692 1.00 0.99 C ATOM 447 CD LYS A 118 10.062 24.847 -8.238 1.00 1.35 C ATOM 448 CE LYS A 118 10.433 26.322 -8.068 1.00 1.51 C ATOM 449 NZ LYS A 118 9.869 27.001 -9.268 1.00 1.99 N ATOM 0 H LYS A 118 9.236 22.621 -6.641 1.00 0.59 H new ATOM 0 HA LYS A 118 11.199 20.525 -7.494 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.928 22.353 -8.922 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.181 22.490 -8.899 1.00 0.83 H new ATOM 0 HG2 LYS A 118 11.141 23.929 -6.604 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.159 24.404 -7.949 1.00 0.99 H new ATOM 0 HD2 LYS A 118 9.890 24.623 -9.291 1.00 1.35 H new ATOM 0 HD3 LYS A 118 9.133 24.631 -7.710 1.00 1.35 H new ATOM 0 HE2 LYS A 118 10.013 26.731 -7.149 1.00 1.51 H new ATOM 0 HE3 LYS A 118 11.514 26.453 -8.011 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 10.068 28.020 -9.216 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 10.304 26.607 -10.126 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 8.840 26.850 -9.301 1.00 1.99 H new ATOM 463 N ILE A 119 11.671 22.360 -4.954 1.00 0.68 N ATOM 464 CA ILE A 119 12.664 22.681 -3.888 1.00 0.74 C ATOM 465 C ILE A 119 12.874 21.474 -2.970 1.00 0.75 C ATOM 466 O ILE A 119 13.851 21.393 -2.251 1.00 0.85 O ATOM 467 CB ILE A 119 12.046 23.843 -3.112 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.826 25.027 -4.056 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.989 24.262 -1.983 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.223 26.196 -3.277 1.00 1.06 C ATOM 0 H ILE A 119 10.701 22.573 -4.723 1.00 0.68 H new ATOM 0 HA ILE A 119 13.641 22.935 -4.299 1.00 0.74 H new ATOM 0 HB ILE A 119 11.091 23.530 -2.691 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.772 25.326 -4.507 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.162 24.738 -4.870 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.548 25.091 -1.429 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.147 23.420 -1.310 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.945 24.574 -2.404 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.066 27.039 -3.950 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.268 25.893 -2.847 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.904 26.491 -2.478 1.00 1.06 H new ATOM 482 N MET A 120 11.966 20.537 -2.984 1.00 0.85 N ATOM 483 CA MET A 120 12.117 19.340 -2.106 1.00 1.01 C ATOM 484 C MET A 120 13.024 18.299 -2.770 1.00 0.95 C ATOM 485 O MET A 120 13.606 17.460 -2.111 1.00 1.11 O ATOM 486 CB MET A 120 10.700 18.789 -1.941 1.00 1.17 C ATOM 487 CG MET A 120 10.205 18.241 -3.280 1.00 1.52 C ATOM 488 SD MET A 120 10.318 16.434 -3.270 1.00 1.88 S ATOM 489 CE MET A 120 8.610 16.103 -2.772 1.00 1.43 C ATOM 0 H MET A 120 11.127 20.547 -3.564 1.00 0.85 H new ATOM 0 HA MET A 120 12.574 19.589 -1.148 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.691 18.001 -1.188 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.032 19.575 -1.589 1.00 1.17 H new ATOM 0 HG2 MET A 120 9.174 18.551 -3.454 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.802 18.649 -4.095 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.532 15.083 -2.395 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.317 16.803 -1.989 1.00 1.43 H new ATOM 0 HE3 MET A 120 7.951 16.224 -3.631 1.00 1.43 H new ATOM 499 N LEU A 121 13.149 18.343 -4.068 1.00 0.87 N ATOM 500 CA LEU A 121 14.018 17.353 -4.767 1.00 0.95 C ATOM 501 C LEU A 121 15.463 17.856 -4.818 1.00 0.87 C ATOM 502 O LEU A 121 16.384 17.104 -5.072 1.00 0.97 O ATOM 503 CB LEU A 121 13.437 17.241 -6.177 1.00 1.09 C ATOM 504 CG LEU A 121 11.998 16.728 -6.096 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.365 16.761 -7.488 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.999 15.291 -5.572 1.00 1.80 C ATOM 0 H LEU A 121 12.688 19.021 -4.675 1.00 0.87 H new ATOM 0 HA LEU A 121 14.038 16.390 -4.257 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.461 18.213 -6.670 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.043 16.563 -6.779 1.00 1.09 H new ATOM 0 HG LEU A 121 11.424 17.362 -5.421 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.340 16.395 -7.430 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.365 17.784 -7.863 1.00 2.03 H new ATOM 0 HD13 LEU A 121 11.939 16.127 -8.164 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.974 14.924 -5.514 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.573 14.658 -6.248 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.450 15.266 -4.580 1.00 1.80 H new ATOM 518 N GLN A 122 15.671 19.121 -4.578 1.00 0.82 N ATOM 519 CA GLN A 122 17.058 19.669 -4.612 1.00 0.95 C ATOM 520 C GLN A 122 18.016 18.739 -3.862 1.00 1.04 C ATOM 521 O GLN A 122 19.177 18.625 -4.201 1.00 1.19 O ATOM 522 CB GLN A 122 16.964 21.023 -3.908 1.00 1.14 C ATOM 523 CG GLN A 122 17.678 22.086 -4.746 1.00 1.42 C ATOM 524 CD GLN A 122 19.071 22.341 -4.168 1.00 1.85 C ATOM 525 OE1 GLN A 122 19.421 23.466 -3.869 1.00 2.44 O ATOM 526 NE2 GLN A 122 19.886 21.337 -3.997 1.00 2.28 N ATOM 0 H GLN A 122 14.941 19.800 -4.360 1.00 0.82 H new ATOM 0 HA GLN A 122 17.440 19.762 -5.629 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.919 21.299 -3.765 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.415 20.962 -2.918 1.00 1.14 H new ATOM 0 HG2 GLN A 122 17.757 21.755 -5.781 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.100 23.010 -4.750 1.00 1.42 H new ATOM 0 HE21 GLN A 122 19.592 20.393 -4.248 1.00 2.28 H new ATOM 0 HE22 GLN A 122 20.817 21.496 -3.612 1.00 2.28 H new ATOM 535 N ALA A 123 17.540 18.075 -2.845 1.00 1.09 N ATOM 536 CA ALA A 123 18.426 17.155 -2.073 1.00 1.33 C ATOM 537 C ALA A 123 19.026 16.092 -2.997 1.00 1.38 C ATOM 538 O ALA A 123 20.044 15.500 -2.698 1.00 1.62 O ATOM 539 CB ALA A 123 17.514 16.507 -1.031 1.00 1.45 C ATOM 0 H ALA A 123 16.577 18.129 -2.514 1.00 1.09 H new ATOM 0 HA ALA A 123 19.263 17.681 -1.613 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.093 15.814 -0.421 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.084 17.279 -0.393 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.714 15.965 -1.535 1.00 1.45 H new ATOM 545 N THR A 124 18.404 15.843 -4.118 1.00 1.29 N ATOM 546 CA THR A 124 18.942 14.818 -5.057 1.00 1.47 C ATOM 547 C THR A 124 19.566 15.495 -6.281 1.00 1.44 C ATOM 548 O THR A 124 20.123 14.848 -7.144 1.00 1.72 O ATOM 549 CB THR A 124 17.728 13.982 -5.468 1.00 1.56 C ATOM 550 OG1 THR A 124 18.164 12.837 -6.188 1.00 2.16 O ATOM 551 CG2 THR A 124 16.803 14.821 -6.351 1.00 1.92 C ATOM 0 H THR A 124 17.547 16.305 -4.424 1.00 1.29 H new ATOM 0 HA THR A 124 19.722 14.209 -4.600 1.00 1.47 H new ATOM 0 HB THR A 124 17.186 13.666 -4.576 1.00 1.56 H new ATOM 0 HG1 THR A 124 18.862 13.097 -6.825 1.00 2.16 H new ATOM 0 HG21 THR A 124 15.939 14.224 -6.643 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.468 15.698 -5.797 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.342 15.140 -7.243 1.00 1.92 H new ATOM 559 N GLY A 125 19.474 16.795 -6.362 1.00 1.26 N ATOM 560 CA GLY A 125 20.058 17.511 -7.531 1.00 1.32 C ATOM 561 C GLY A 125 19.024 17.569 -8.656 1.00 1.26 C ATOM 562 O GLY A 125 19.356 17.510 -9.823 1.00 1.63 O ATOM 0 H GLY A 125 19.020 17.391 -5.670 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.356 18.519 -7.243 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.957 16.999 -7.874 1.00 1.32 H new ATOM 566 N GLU A 126 17.770 17.680 -8.312 1.00 1.02 N ATOM 567 CA GLU A 126 16.709 17.739 -9.358 1.00 1.08 C ATOM 568 C GLU A 126 17.103 18.724 -10.462 1.00 0.89 C ATOM 569 O GLU A 126 16.820 19.903 -10.385 1.00 0.87 O ATOM 570 CB GLU A 126 15.460 18.228 -8.625 1.00 1.34 C ATOM 571 CG GLU A 126 15.709 19.635 -8.077 1.00 1.45 C ATOM 572 CD GLU A 126 14.877 20.647 -8.866 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.878 20.246 -9.438 1.00 2.09 O ATOM 574 OE2 GLU A 126 15.254 21.808 -8.884 1.00 2.16 O ATOM 0 H GLU A 126 17.434 17.732 -7.350 1.00 1.02 H new ATOM 0 HA GLU A 126 16.550 16.774 -9.839 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.607 18.236 -9.303 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.213 17.547 -7.810 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.445 19.677 -7.020 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.768 19.883 -8.151 1.00 1.45 H new ATOM 581 N THR A 127 17.747 18.249 -11.493 1.00 1.09 N ATOM 582 CA THR A 127 18.150 19.161 -12.601 1.00 1.21 C ATOM 583 C THR A 127 17.329 18.851 -13.855 1.00 1.29 C ATOM 584 O THR A 127 17.667 17.979 -14.631 1.00 1.60 O ATOM 585 CB THR A 127 19.633 18.871 -12.842 1.00 1.57 C ATOM 586 OG1 THR A 127 20.035 19.467 -14.068 1.00 1.91 O ATOM 587 CG2 THR A 127 19.859 17.360 -12.909 1.00 2.18 C ATOM 0 H THR A 127 18.011 17.271 -11.616 1.00 1.09 H new ATOM 0 HA THR A 127 17.980 20.210 -12.357 1.00 1.21 H new ATOM 0 HB THR A 127 20.222 19.285 -12.023 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.985 19.284 -14.225 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.916 17.157 -13.081 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.550 16.904 -11.968 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.272 16.940 -13.726 1.00 2.18 H new ATOM 595 N ILE A 128 16.252 19.558 -14.058 1.00 1.08 N ATOM 596 CA ILE A 128 15.407 19.305 -15.260 1.00 1.20 C ATOM 597 C ILE A 128 14.990 20.631 -15.901 1.00 1.18 C ATOM 598 O ILE A 128 15.202 21.692 -15.349 1.00 1.15 O ATOM 599 CB ILE A 128 14.184 18.557 -14.731 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.349 19.500 -13.862 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.639 17.363 -13.891 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.200 18.720 -13.221 1.00 2.03 C ATOM 0 H ILE A 128 15.920 20.301 -13.443 1.00 1.08 H new ATOM 0 HA ILE A 128 15.935 18.735 -16.025 1.00 1.20 H new ATOM 0 HB ILE A 128 13.584 18.204 -15.569 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.974 19.948 -13.089 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.955 20.316 -14.467 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.766 16.830 -13.514 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.236 16.691 -14.507 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.239 17.716 -13.052 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.605 19.392 -12.602 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.570 18.293 -14.001 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.605 17.919 -12.602 1.00 2.03 H new ATOM 614 N THR A 129 14.398 20.579 -17.063 1.00 1.34 N ATOM 615 CA THR A 129 13.967 21.838 -17.737 1.00 1.42 C ATOM 616 C THR A 129 12.749 22.429 -17.023 1.00 1.16 C ATOM 617 O THR A 129 12.036 21.742 -16.318 1.00 0.97 O ATOM 618 CB THR A 129 13.604 21.419 -19.163 1.00 1.64 C ATOM 619 OG1 THR A 129 12.531 20.488 -19.122 1.00 2.23 O ATOM 620 CG2 THR A 129 14.818 20.775 -19.834 1.00 2.28 C ATOM 0 H THR A 129 14.194 19.721 -17.575 1.00 1.34 H new ATOM 0 HA THR A 129 14.744 22.602 -17.723 1.00 1.42 H new ATOM 0 HB THR A 129 13.302 22.297 -19.734 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.884 19.589 -18.959 1.00 2.23 H new ATOM 0 HG21 THR A 129 14.557 20.477 -20.850 1.00 2.28 H new ATOM 0 HG22 THR A 129 15.639 21.491 -19.865 1.00 2.28 H new ATOM 0 HG23 THR A 129 15.124 19.897 -19.266 1.00 2.28 H new ATOM 628 N GLU A 130 12.504 23.698 -17.201 1.00 1.31 N ATOM 629 CA GLU A 130 11.330 24.332 -16.534 1.00 1.28 C ATOM 630 C GLU A 130 10.039 23.628 -16.957 1.00 1.16 C ATOM 631 O GLU A 130 9.105 23.508 -16.189 1.00 1.21 O ATOM 632 CB GLU A 130 11.335 25.781 -17.020 1.00 1.69 C ATOM 633 CG GLU A 130 11.014 25.818 -18.516 1.00 2.05 C ATOM 634 CD GLU A 130 11.335 27.206 -19.073 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.163 28.169 -18.345 1.00 3.03 O ATOM 636 OE2 GLU A 130 11.747 27.282 -20.219 1.00 2.70 O ATOM 0 H GLU A 130 13.065 24.324 -17.779 1.00 1.31 H new ATOM 0 HA GLU A 130 11.386 24.266 -15.447 1.00 1.28 H new ATOM 0 HB2 GLU A 130 10.601 26.365 -16.465 1.00 1.69 H new ATOM 0 HB3 GLU A 130 12.309 26.235 -16.835 1.00 1.69 H new ATOM 0 HG2 GLU A 130 11.595 25.060 -19.042 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.962 25.584 -18.679 1.00 2.05 H new ATOM 643 N ASP A 131 9.979 23.162 -18.174 1.00 1.18 N ATOM 644 CA ASP A 131 8.748 22.465 -18.645 1.00 1.19 C ATOM 645 C ASP A 131 8.535 21.178 -17.845 1.00 1.07 C ATOM 646 O ASP A 131 7.448 20.637 -17.800 1.00 1.14 O ATOM 647 CB ASP A 131 9.013 22.146 -20.117 1.00 1.44 C ATOM 648 CG ASP A 131 8.897 23.426 -20.947 1.00 1.48 C ATOM 649 OD1 ASP A 131 8.699 24.475 -20.356 1.00 2.07 O ATOM 650 OD2 ASP A 131 9.009 23.335 -22.158 1.00 1.91 O ATOM 0 H ASP A 131 10.728 23.233 -18.862 1.00 1.18 H new ATOM 0 HA ASP A 131 7.852 23.072 -18.516 1.00 1.19 H new ATOM 0 HB2 ASP A 131 10.007 21.714 -20.233 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.299 21.403 -20.473 1.00 1.44 H new ATOM 655 N ASP A 132 9.565 20.683 -17.214 1.00 1.00 N ATOM 656 CA ASP A 132 9.422 19.431 -16.418 1.00 1.03 C ATOM 657 C ASP A 132 9.085 19.765 -14.962 1.00 0.88 C ATOM 658 O ASP A 132 8.419 19.012 -14.281 1.00 1.03 O ATOM 659 CB ASP A 132 10.785 18.745 -16.511 1.00 1.13 C ATOM 660 CG ASP A 132 10.903 18.026 -17.856 1.00 1.39 C ATOM 661 OD1 ASP A 132 9.893 17.536 -18.334 1.00 1.79 O ATOM 662 OD2 ASP A 132 12.001 17.978 -18.385 1.00 1.99 O ATOM 0 H ASP A 132 10.500 21.092 -17.215 1.00 1.00 H new ATOM 0 HA ASP A 132 8.620 18.794 -16.790 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.582 19.481 -16.409 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.902 18.033 -15.694 1.00 1.13 H new ATOM 667 N ILE A 133 9.538 20.890 -14.482 1.00 0.75 N ATOM 668 CA ILE A 133 9.240 21.272 -13.072 1.00 0.77 C ATOM 669 C ILE A 133 7.732 21.203 -12.819 1.00 0.70 C ATOM 670 O ILE A 133 7.285 20.703 -11.805 1.00 0.82 O ATOM 671 CB ILE A 133 9.742 22.709 -12.937 1.00 0.87 C ATOM 672 CG1 ILE A 133 11.256 22.739 -13.153 1.00 0.96 C ATOM 673 CG2 ILE A 133 9.415 23.235 -11.538 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.958 22.109 -11.949 1.00 1.00 C ATOM 0 H ILE A 133 10.101 21.561 -15.004 1.00 0.75 H new ATOM 0 HA ILE A 133 9.716 20.607 -12.351 1.00 0.77 H new ATOM 0 HB ILE A 133 9.255 23.337 -13.683 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.515 22.197 -14.062 1.00 0.96 H new ATOM 0 HG13 ILE A 133 11.594 23.766 -13.287 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.773 24.260 -11.442 1.00 1.06 H new ATOM 0 HG22 ILE A 133 8.336 23.211 -11.383 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.902 22.609 -10.791 1.00 1.06 H new ATOM 0 HD11 ILE A 133 13.037 22.131 -12.104 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.709 22.670 -11.048 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.629 21.076 -11.835 1.00 1.00 H new ATOM 686 N GLU A 134 6.946 21.698 -13.735 1.00 0.61 N ATOM 687 CA GLU A 134 5.467 21.657 -13.549 1.00 0.64 C ATOM 688 C GLU A 134 4.951 20.233 -13.767 1.00 0.64 C ATOM 689 O GLU A 134 3.965 19.824 -13.187 1.00 0.76 O ATOM 690 CB GLU A 134 4.907 22.600 -14.615 1.00 0.73 C ATOM 691 CG GLU A 134 5.305 24.039 -14.284 1.00 0.89 C ATOM 692 CD GLU A 134 6.496 24.450 -15.150 1.00 1.21 C ATOM 693 OE1 GLU A 134 6.537 24.042 -16.299 1.00 1.87 O ATOM 694 OE2 GLU A 134 7.349 25.165 -14.649 1.00 1.86 O ATOM 0 H GLU A 134 7.263 22.129 -14.604 1.00 0.61 H new ATOM 0 HA GLU A 134 5.167 21.955 -12.545 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.289 22.323 -15.598 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.821 22.513 -14.659 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.464 24.710 -14.461 1.00 0.89 H new ATOM 0 HG3 GLU A 134 5.563 24.123 -13.228 1.00 0.89 H new ATOM 701 N GLU A 135 5.613 19.474 -14.598 1.00 0.59 N ATOM 702 CA GLU A 135 5.160 18.077 -14.848 1.00 0.67 C ATOM 703 C GLU A 135 5.080 17.308 -13.527 1.00 0.74 C ATOM 704 O GLU A 135 4.333 16.360 -13.393 1.00 0.91 O ATOM 705 CB GLU A 135 6.227 17.469 -15.759 1.00 0.72 C ATOM 706 CG GLU A 135 5.776 16.079 -16.214 1.00 1.16 C ATOM 707 CD GLU A 135 6.270 15.030 -15.216 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.475 14.895 -15.077 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.436 14.381 -14.608 1.00 2.03 O ATOM 0 H GLU A 135 6.446 19.761 -15.113 1.00 0.59 H new ATOM 0 HA GLU A 135 4.170 18.038 -15.302 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.391 18.111 -16.624 1.00 0.72 H new ATOM 0 HB3 GLU A 135 7.177 17.400 -15.229 1.00 0.72 H new ATOM 0 HG2 GLU A 135 4.689 16.044 -16.287 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.169 15.865 -17.208 1.00 1.16 H new ATOM 716 N LEU A 136 5.845 17.712 -12.549 1.00 0.73 N ATOM 717 CA LEU A 136 5.810 17.007 -11.236 1.00 0.87 C ATOM 718 C LEU A 136 4.438 17.185 -10.583 1.00 0.81 C ATOM 719 O LEU A 136 4.035 16.410 -9.738 1.00 1.00 O ATOM 720 CB LEU A 136 6.896 17.680 -10.396 1.00 0.99 C ATOM 721 CG LEU A 136 8.231 16.968 -10.619 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.327 18.004 -10.871 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.584 16.146 -9.377 1.00 1.75 C ATOM 0 H LEU A 136 6.492 18.499 -12.603 1.00 0.73 H new ATOM 0 HA LEU A 136 5.980 15.935 -11.335 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.983 18.731 -10.670 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.626 17.647 -9.340 1.00 0.99 H new ATOM 0 HG LEU A 136 8.150 16.308 -11.482 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.278 17.496 -11.030 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.077 18.591 -11.755 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.408 18.665 -10.008 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.535 15.638 -9.535 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.664 16.807 -8.514 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.804 15.407 -9.196 1.00 1.75 H new ATOM 735 N MET A 137 3.716 18.201 -10.969 1.00 0.67 N ATOM 736 CA MET A 137 2.369 18.428 -10.372 1.00 0.71 C ATOM 737 C MET A 137 1.317 17.602 -11.117 1.00 0.68 C ATOM 738 O MET A 137 0.394 17.077 -10.527 1.00 0.70 O ATOM 739 CB MET A 137 2.101 19.923 -10.546 1.00 0.82 C ATOM 740 CG MET A 137 0.712 20.263 -9.999 1.00 0.99 C ATOM 741 SD MET A 137 0.530 19.573 -8.334 1.00 0.94 S ATOM 742 CE MET A 137 0.807 21.108 -7.418 1.00 0.53 C ATOM 0 H MET A 137 4.000 18.884 -11.672 1.00 0.67 H new ATOM 0 HA MET A 137 2.326 18.129 -9.325 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.861 20.502 -10.022 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.164 20.194 -11.600 1.00 0.82 H new ATOM 0 HG2 MET A 137 0.575 21.344 -9.973 1.00 0.99 H new ATOM 0 HG3 MET A 137 -0.058 19.860 -10.657 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.714 21.017 -6.821 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.916 21.935 -8.119 1.00 0.53 H new ATOM 0 HE3 MET A 137 -0.042 21.298 -6.762 1.00 0.53 H new ATOM 752 N LYS A 138 1.450 17.481 -12.410 1.00 0.76 N ATOM 753 CA LYS A 138 0.457 16.686 -13.187 1.00 0.82 C ATOM 754 C LYS A 138 0.253 15.320 -12.528 1.00 0.72 C ATOM 755 O LYS A 138 -0.771 14.686 -12.690 1.00 0.84 O ATOM 756 CB LYS A 138 1.074 16.528 -14.577 1.00 0.99 C ATOM 757 CG LYS A 138 0.488 17.582 -15.517 1.00 1.57 C ATOM 758 CD LYS A 138 1.088 17.412 -16.915 1.00 2.09 C ATOM 759 CE LYS A 138 0.105 16.647 -17.804 1.00 2.74 C ATOM 760 NZ LYS A 138 -0.237 17.594 -18.903 1.00 3.43 N ATOM 0 H LYS A 138 2.201 17.897 -12.961 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.519 17.168 -13.232 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.157 16.637 -14.521 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.874 15.529 -14.964 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.597 17.482 -15.561 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.701 18.581 -15.138 1.00 1.57 H new ATOM 0 HD2 LYS A 138 1.305 18.388 -17.350 1.00 2.09 H new ATOM 0 HD3 LYS A 138 2.034 16.873 -16.853 1.00 2.09 H new ATOM 0 HE2 LYS A 138 0.554 15.734 -18.195 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -0.784 16.351 -17.247 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -0.908 17.141 -19.555 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -0.669 18.451 -18.501 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 0.627 17.852 -19.420 1.00 3.43 H new ATOM 774 N ASP A 139 1.221 14.864 -11.779 1.00 0.75 N ATOM 775 CA ASP A 139 1.084 13.543 -11.103 1.00 0.78 C ATOM 776 C ASP A 139 0.581 13.741 -9.671 1.00 0.70 C ATOM 777 O ASP A 139 -0.297 13.040 -9.208 1.00 0.81 O ATOM 778 CB ASP A 139 2.494 12.951 -11.098 1.00 0.97 C ATOM 779 CG ASP A 139 2.791 12.327 -12.463 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.901 12.325 -13.297 1.00 1.66 O ATOM 781 OD2 ASP A 139 3.903 11.861 -12.650 1.00 1.69 O ATOM 0 H ASP A 139 2.101 15.350 -11.606 1.00 0.75 H new ATOM 0 HA ASP A 139 0.372 12.890 -11.607 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.225 13.728 -10.875 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.581 12.197 -10.315 1.00 0.97 H new ATOM 786 N GLY A 140 1.129 14.695 -8.969 1.00 0.64 N ATOM 787 CA GLY A 140 0.682 14.941 -7.569 1.00 0.62 C ATOM 788 C GLY A 140 -0.737 15.513 -7.582 1.00 0.57 C ATOM 789 O GLY A 140 -1.453 15.444 -6.602 1.00 0.65 O ATOM 0 H GLY A 140 1.867 15.314 -9.304 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.706 14.012 -6.999 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.362 15.636 -7.075 1.00 0.62 H new ATOM 793 N ASP A 141 -1.150 16.078 -8.684 1.00 0.56 N ATOM 794 CA ASP A 141 -2.524 16.654 -8.757 1.00 0.56 C ATOM 795 C ASP A 141 -3.024 16.653 -10.203 1.00 0.58 C ATOM 796 O ASP A 141 -3.184 17.692 -10.814 1.00 0.64 O ATOM 797 CB ASP A 141 -2.381 18.087 -8.243 1.00 0.60 C ATOM 798 CG ASP A 141 -3.563 18.424 -7.331 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.091 17.512 -6.718 1.00 1.23 O ATOM 800 OD2 ASP A 141 -3.919 19.589 -7.262 1.00 1.14 O ATOM 0 H ASP A 141 -0.596 16.166 -9.536 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.242 16.079 -8.172 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.444 18.197 -7.697 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.345 18.783 -9.081 1.00 0.60 H new ATOM 805 N LYS A 142 -3.277 15.498 -10.756 1.00 0.62 N ATOM 806 CA LYS A 142 -3.771 15.441 -12.162 1.00 0.70 C ATOM 807 C LYS A 142 -4.923 16.432 -12.346 1.00 0.79 C ATOM 808 O LYS A 142 -5.195 16.891 -13.437 1.00 0.92 O ATOM 809 CB LYS A 142 -4.259 14.005 -12.355 1.00 0.79 C ATOM 810 CG LYS A 142 -3.326 13.273 -13.322 1.00 0.88 C ATOM 811 CD LYS A 142 -4.149 12.638 -14.445 1.00 1.37 C ATOM 812 CE LYS A 142 -3.925 13.413 -15.745 1.00 1.79 C ATOM 813 NZ LYS A 142 -2.686 12.830 -16.332 1.00 2.44 N ATOM 0 H LYS A 142 -3.164 14.594 -10.297 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.001 15.705 -12.886 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.285 13.487 -11.396 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.277 14.005 -12.745 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.599 13.969 -13.739 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.764 12.505 -12.790 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -3.860 11.595 -14.577 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.207 12.645 -14.183 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.772 13.302 -16.422 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.807 14.480 -15.554 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.467 13.311 -17.228 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -1.895 12.956 -15.669 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -2.830 11.816 -16.510 1.00 2.44 H new ATOM 827 N ASN A 143 -5.595 16.769 -11.280 1.00 0.80 N ATOM 828 CA ASN A 143 -6.727 17.738 -11.383 1.00 0.95 C ATOM 829 C ASN A 143 -6.212 19.166 -11.193 1.00 0.92 C ATOM 830 O ASN A 143 -6.934 20.047 -10.767 1.00 1.08 O ATOM 831 CB ASN A 143 -7.701 17.362 -10.259 1.00 1.07 C ATOM 832 CG ASN A 143 -6.934 17.138 -8.953 1.00 1.36 C ATOM 833 OD1 ASN A 143 -6.285 16.125 -8.785 1.00 1.95 O ATOM 834 ND2 ASN A 143 -6.979 18.044 -8.014 1.00 1.70 N ATOM 0 H ASN A 143 -5.411 16.416 -10.341 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.211 17.696 -12.359 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.438 18.154 -10.126 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -8.248 16.459 -10.528 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -6.470 17.900 -7.142 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.523 18.896 -8.153 1.00 1.70 H new ATOM 841 N ASN A 144 -4.968 19.401 -11.507 1.00 0.86 N ATOM 842 CA ASN A 144 -4.399 20.770 -11.349 1.00 0.93 C ATOM 843 C ASN A 144 -4.851 21.385 -10.021 1.00 1.03 C ATOM 844 O ASN A 144 -4.236 21.182 -8.993 1.00 1.71 O ATOM 845 CB ASN A 144 -4.952 21.567 -12.531 1.00 1.08 C ATOM 846 CG ASN A 144 -4.520 23.029 -12.407 1.00 1.49 C ATOM 847 OD1 ASN A 144 -3.828 23.393 -11.477 1.00 2.18 O ATOM 848 ND2 ASN A 144 -4.902 23.889 -13.311 1.00 1.97 N ATOM 0 H ASN A 144 -4.319 18.702 -11.867 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.309 20.765 -11.336 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -4.588 21.147 -13.469 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -6.040 21.499 -12.552 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -4.620 24.866 -13.237 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -5.483 23.584 -14.092 1.00 1.97 H new ATOM 855 N ASP A 145 -5.919 22.140 -10.030 1.00 0.88 N ATOM 856 CA ASP A 145 -6.401 22.767 -8.765 1.00 0.92 C ATOM 857 C ASP A 145 -5.406 23.831 -8.289 1.00 0.91 C ATOM 858 O ASP A 145 -5.750 24.983 -8.119 1.00 1.07 O ATOM 859 CB ASP A 145 -6.487 21.620 -7.756 1.00 0.93 C ATOM 860 CG ASP A 145 -7.838 21.667 -7.041 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.847 21.712 -7.726 1.00 1.89 O ATOM 862 OD2 ASP A 145 -7.841 21.658 -5.822 1.00 2.06 O ATOM 0 H ASP A 145 -6.477 22.349 -10.858 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.362 23.266 -8.893 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.367 20.664 -8.266 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -5.677 21.699 -7.031 1.00 0.93 H new ATOM 867 N GLY A 146 -4.175 23.453 -8.075 1.00 0.84 N ATOM 868 CA GLY A 146 -3.163 24.443 -7.612 1.00 0.92 C ATOM 869 C GLY A 146 -2.741 24.114 -6.180 1.00 0.66 C ATOM 870 O GLY A 146 -2.012 24.856 -5.552 1.00 0.74 O ATOM 0 H GLY A 146 -3.827 22.502 -8.201 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.295 24.426 -8.271 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.577 25.450 -7.657 1.00 0.92 H new ATOM 874 N ARG A 147 -3.190 23.005 -5.657 1.00 0.56 N ATOM 875 CA ARG A 147 -2.810 22.631 -4.266 1.00 0.54 C ATOM 876 C ARG A 147 -2.742 21.108 -4.126 1.00 0.46 C ATOM 877 O ARG A 147 -3.641 20.396 -4.530 1.00 0.45 O ATOM 878 CB ARG A 147 -3.918 23.203 -3.383 1.00 0.77 C ATOM 879 CG ARG A 147 -3.358 24.355 -2.546 1.00 1.39 C ATOM 880 CD ARG A 147 -4.367 24.735 -1.460 1.00 1.79 C ATOM 881 NE ARG A 147 -5.510 25.346 -2.195 1.00 2.55 N ATOM 882 CZ ARG A 147 -5.377 26.517 -2.759 1.00 2.87 C ATOM 883 NH1 ARG A 147 -4.244 27.162 -2.676 1.00 3.10 N ATOM 884 NH2 ARG A 147 -6.380 27.044 -3.406 1.00 3.37 N ATOM 0 H ARG A 147 -3.803 22.343 -6.133 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.829 23.018 -3.989 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.744 23.556 -4.000 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.316 22.426 -2.731 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.412 24.062 -2.091 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.152 25.215 -3.183 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.685 23.860 -0.892 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -3.935 25.438 -0.748 1.00 1.79 H new ATOM 0 HE ARG A 147 -6.398 24.849 -2.258 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -3.459 26.752 -2.170 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -4.144 28.076 -3.118 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -7.266 26.542 -3.471 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -6.279 27.958 -3.847 1.00 3.37 H new ATOM 898 N ILE A 148 -1.682 20.604 -3.556 1.00 0.49 N ATOM 899 CA ILE A 148 -1.553 19.128 -3.390 1.00 0.44 C ATOM 900 C ILE A 148 -1.937 18.723 -1.964 1.00 0.46 C ATOM 901 O ILE A 148 -1.281 19.084 -1.008 1.00 0.63 O ATOM 902 CB ILE A 148 -0.078 18.829 -3.657 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.325 19.434 -5.004 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.138 17.316 -3.694 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.802 19.142 -5.275 1.00 0.63 C ATOM 0 H ILE A 148 -0.899 21.151 -3.198 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.208 18.575 -4.063 1.00 0.44 H new ATOM 0 HB ILE A 148 0.531 19.263 -2.864 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.291 19.017 -5.801 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.152 20.510 -4.997 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.190 17.103 -3.884 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.152 16.884 -2.736 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.470 16.881 -4.488 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.088 19.573 -6.234 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.411 19.580 -4.484 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.961 18.064 -5.300 1.00 0.63 H new ATOM 917 N ASP A 149 -2.996 17.975 -1.816 1.00 0.48 N ATOM 918 CA ASP A 149 -3.423 17.549 -0.452 1.00 0.53 C ATOM 919 C ASP A 149 -2.897 16.144 -0.145 1.00 0.53 C ATOM 920 O ASP A 149 -2.400 15.453 -1.012 1.00 0.63 O ATOM 921 CB ASP A 149 -4.952 17.549 -0.498 1.00 0.58 C ATOM 922 CG ASP A 149 -5.506 17.672 0.922 1.00 1.05 C ATOM 923 OD1 ASP A 149 -5.481 18.770 1.453 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.945 16.667 1.455 1.00 1.65 O ATOM 0 H ASP A 149 -3.584 17.640 -2.579 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.037 18.209 0.325 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.308 18.377 -1.111 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.312 16.631 -0.962 1.00 0.58 H new ATOM 929 N TYR A 150 -3.002 15.717 1.084 1.00 0.58 N ATOM 930 CA TYR A 150 -2.510 14.357 1.448 1.00 0.60 C ATOM 931 C TYR A 150 -2.937 13.338 0.388 1.00 0.59 C ATOM 932 O TYR A 150 -2.121 12.802 -0.335 1.00 0.63 O ATOM 933 CB TYR A 150 -3.171 14.044 2.790 1.00 0.73 C ATOM 934 CG TYR A 150 -2.261 13.160 3.608 1.00 0.72 C ATOM 935 CD1 TYR A 150 -1.558 12.117 2.992 1.00 1.15 C ATOM 936 CD2 TYR A 150 -2.121 13.382 4.983 1.00 1.22 C ATOM 937 CE1 TYR A 150 -0.715 11.298 3.751 1.00 1.43 C ATOM 938 CE2 TYR A 150 -1.278 12.562 5.742 1.00 1.56 C ATOM 939 CZ TYR A 150 -0.575 11.520 5.126 1.00 1.48 C ATOM 940 OH TYR A 150 0.255 10.711 5.875 1.00 1.96 O ATOM 0 H TYR A 150 -3.407 16.251 1.852 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.423 14.314 1.509 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -3.378 14.968 3.329 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -4.128 13.548 2.629 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -1.667 11.945 1.931 1.00 1.15 H new ATOM 0 HD2 TYR A 150 -2.663 14.186 5.458 1.00 1.22 H new ATOM 0 HE1 TYR A 150 -0.172 10.494 3.276 1.00 1.43 H new ATOM 0 HE2 TYR A 150 -1.170 12.733 6.803 1.00 1.56 H new ATOM 0 HH TYR A 150 0.665 10.037 5.294 1.00 1.96 H new ATOM 950 N ASP A 151 -4.210 13.067 0.292 1.00 0.64 N ATOM 951 CA ASP A 151 -4.686 12.082 -0.721 1.00 0.70 C ATOM 952 C ASP A 151 -3.992 12.326 -2.063 1.00 0.63 C ATOM 953 O ASP A 151 -3.509 11.410 -2.699 1.00 0.77 O ATOM 954 CB ASP A 151 -6.190 12.332 -0.841 1.00 0.79 C ATOM 955 CG ASP A 151 -6.876 11.075 -1.379 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.234 10.038 -1.400 1.00 1.83 O ATOM 957 OD2 ASP A 151 -8.031 11.171 -1.759 1.00 1.90 O ATOM 0 H ASP A 151 -4.940 13.484 0.870 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.466 11.054 -0.433 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.604 12.597 0.132 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.377 13.174 -1.507 1.00 0.79 H new ATOM 962 N GLU A 152 -3.936 13.555 -2.499 1.00 0.54 N ATOM 963 CA GLU A 152 -3.271 13.852 -3.800 1.00 0.56 C ATOM 964 C GLU A 152 -1.763 13.611 -3.688 1.00 0.52 C ATOM 965 O GLU A 152 -1.094 13.340 -4.666 1.00 0.65 O ATOM 966 CB GLU A 152 -3.563 15.330 -4.068 1.00 0.60 C ATOM 967 CG GLU A 152 -5.076 15.545 -4.138 1.00 0.77 C ATOM 968 CD GLU A 152 -5.374 17.036 -4.304 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.430 17.800 -4.430 1.00 1.17 O ATOM 970 OE2 GLU A 152 -6.542 17.389 -4.303 1.00 1.40 O ATOM 0 H GLU A 152 -4.321 14.364 -2.012 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.635 13.215 -4.606 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.133 15.946 -3.278 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.097 15.640 -5.003 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.495 14.985 -4.974 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.550 15.168 -3.232 1.00 0.77 H new ATOM 977 N PHE A 153 -1.223 13.703 -2.502 1.00 0.46 N ATOM 978 CA PHE A 153 0.241 13.475 -2.327 1.00 0.46 C ATOM 979 C PHE A 153 0.595 12.029 -2.683 1.00 0.50 C ATOM 980 O PHE A 153 1.738 11.703 -2.937 1.00 0.64 O ATOM 981 CB PHE A 153 0.511 13.743 -0.846 1.00 0.49 C ATOM 982 CG PHE A 153 2.000 13.848 -0.613 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.746 14.825 -1.283 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.635 12.968 0.273 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.127 14.922 -1.067 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.015 13.065 0.488 1.00 0.61 C ATOM 987 CZ PHE A 153 4.761 14.042 -0.182 1.00 0.68 C ATOM 0 H PHE A 153 -1.732 13.926 -1.647 1.00 0.46 H new ATOM 0 HA PHE A 153 0.839 14.118 -2.972 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.019 14.665 -0.537 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.093 12.940 -0.239 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.257 15.504 -1.966 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.060 12.214 0.790 1.00 0.52 H new ATOM 0 HE1 PHE A 153 4.703 15.676 -1.583 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.504 12.386 1.171 1.00 0.61 H new ATOM 0 HZ PHE A 153 5.826 14.117 -0.016 1.00 0.68 H new ATOM 997 N LEU A 154 -0.376 11.159 -2.706 1.00 0.53 N ATOM 998 CA LEU A 154 -0.094 9.736 -3.049 1.00 0.62 C ATOM 999 C LEU A 154 0.182 9.603 -4.549 1.00 0.65 C ATOM 1000 O LEU A 154 1.267 9.243 -4.961 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.364 8.976 -2.665 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.023 7.896 -1.636 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.149 7.056 -2.146 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.636 8.559 -0.312 1.00 1.20 C ATOM 0 H LEU A 154 -1.353 11.371 -2.502 1.00 0.53 H new ATOM 0 HA LEU A 154 0.782 9.349 -2.529 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.102 9.665 -2.254 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.810 8.522 -3.550 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.890 7.254 -1.483 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.392 6.287 -1.413 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.125 6.584 -3.090 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.017 7.697 -2.300 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.393 7.791 0.422 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.231 9.201 -0.466 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.470 9.158 0.053 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.790 9.896 -5.369 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.580 9.791 -6.842 1.00 0.81 C ATOM 1018 C GLU A 155 0.684 10.555 -7.247 1.00 0.76 C ATOM 1019 O GLU A 155 1.294 10.275 -8.259 1.00 0.90 O ATOM 1020 CB GLU A 155 -1.817 10.434 -7.469 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.057 9.609 -7.120 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.349 8.622 -8.251 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -2.472 7.833 -8.563 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -4.444 8.671 -8.786 1.00 2.77 O ATOM 0 H GLU A 155 -1.720 10.203 -5.084 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.450 8.759 -7.168 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -1.933 11.455 -7.105 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.700 10.493 -8.551 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.897 9.071 -6.186 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.913 10.266 -6.967 1.00 1.41 H new ATOM 1031 N PHE A 156 1.080 11.520 -6.462 1.00 0.66 N ATOM 1032 CA PHE A 156 2.303 12.304 -6.799 1.00 0.77 C ATOM 1033 C PHE A 156 3.479 11.359 -7.060 1.00 0.71 C ATOM 1034 O PHE A 156 3.989 11.276 -8.160 1.00 0.88 O ATOM 1035 CB PHE A 156 2.570 13.168 -5.566 1.00 0.84 C ATOM 1036 CG PHE A 156 3.930 13.812 -5.685 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.259 14.546 -6.831 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.863 13.676 -4.649 1.00 1.09 C ATOM 1039 CE1 PHE A 156 5.520 15.145 -6.941 1.00 1.72 C ATOM 1040 CE2 PHE A 156 6.124 14.274 -4.759 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.453 15.008 -5.905 1.00 1.53 C ATOM 0 H PHE A 156 0.609 11.800 -5.601 1.00 0.66 H new ATOM 0 HA PHE A 156 2.175 12.907 -7.698 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.800 13.934 -5.473 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.523 12.557 -4.664 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.540 14.650 -7.630 1.00 1.49 H new ATOM 0 HD2 PHE A 156 4.609 13.110 -3.765 1.00 1.09 H new ATOM 0 HE1 PHE A 156 5.773 15.712 -7.824 1.00 1.72 H new ATOM 0 HE2 PHE A 156 6.843 14.169 -3.960 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.426 15.469 -5.990 1.00 1.53 H new ATOM 1051 N MET A 157 3.913 10.647 -6.057 1.00 0.61 N ATOM 1052 CA MET A 157 5.054 9.708 -6.249 1.00 0.69 C ATOM 1053 C MET A 157 4.535 8.282 -6.465 1.00 0.83 C ATOM 1054 O MET A 157 5.195 7.454 -7.061 1.00 1.17 O ATOM 1055 CB MET A 157 5.864 9.801 -4.955 1.00 0.84 C ATOM 1056 CG MET A 157 5.066 9.185 -3.806 1.00 0.92 C ATOM 1057 SD MET A 157 5.114 10.294 -2.376 1.00 1.56 S ATOM 1058 CE MET A 157 6.888 10.160 -2.043 1.00 0.90 C ATOM 0 H MET A 157 3.527 10.675 -5.113 1.00 0.61 H new ATOM 0 HA MET A 157 5.656 9.959 -7.122 1.00 0.69 H new ATOM 0 HB2 MET A 157 6.815 9.281 -5.071 1.00 0.84 H new ATOM 0 HB3 MET A 157 6.096 10.843 -4.733 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.034 9.017 -4.115 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.482 8.213 -3.540 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.050 10.061 -0.970 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.289 9.284 -2.553 1.00 0.90 H new ATOM 0 HE3 MET A 157 7.395 11.054 -2.405 1.00 0.90 H new ATOM 1068 N LYS A 158 3.355 7.993 -5.987 1.00 0.86 N ATOM 1069 CA LYS A 158 2.789 6.624 -6.167 1.00 1.07 C ATOM 1070 C LYS A 158 3.684 5.582 -5.491 1.00 1.36 C ATOM 1071 O LYS A 158 3.727 4.435 -5.891 1.00 1.73 O ATOM 1072 CB LYS A 158 2.758 6.404 -7.680 1.00 1.28 C ATOM 1073 CG LYS A 158 1.638 5.420 -8.030 1.00 1.66 C ATOM 1074 CD LYS A 158 1.987 4.691 -9.330 1.00 2.24 C ATOM 1075 CE LYS A 158 1.081 3.468 -9.490 1.00 2.85 C ATOM 1076 NZ LYS A 158 0.880 3.330 -10.960 1.00 3.52 N ATOM 0 H LYS A 158 2.758 8.646 -5.479 1.00 0.86 H new ATOM 0 HA LYS A 158 1.800 6.527 -5.719 1.00 1.07 H new ATOM 0 HB2 LYS A 158 2.597 7.352 -8.193 1.00 1.28 H new ATOM 0 HB3 LYS A 158 3.718 6.016 -8.022 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.505 4.701 -7.222 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.693 5.952 -8.141 1.00 1.66 H new ATOM 0 HD2 LYS A 158 1.863 5.362 -10.180 1.00 2.24 H new ATOM 0 HD3 LYS A 158 3.032 4.383 -9.317 1.00 2.24 H new ATOM 0 HE2 LYS A 158 1.544 2.576 -9.069 1.00 2.85 H new ATOM 0 HE3 LYS A 158 0.132 3.609 -8.973 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 0.268 2.511 -11.151 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 0.432 4.192 -11.332 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 1.800 3.190 -11.425 1.00 3.52 H new