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 Single : A 92 LYS NZ :NH3+ -145:sc= -0.151 (180deg=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0887 USER MOD Single : A 103 MET CE :methyl 162:sc= 0 (180deg=-0.198) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.3) 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 152:sc= -12.4! (180deg=-13.4!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 124 THR OG1 : rot -59:sc= 0.861 USER MOD Single : A 127 THR OG1 : rot 61:sc= 1.09 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.174 USER MOD Single : A 137 MET CE :methyl 147:sc= -4.44 (180deg=-7.89!) USER MOD Single : A 138 LYS NZ :NH3+ 142:sc= -0.155 (180deg=-0.977) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -3.72! K(o=-3.7!,f=-3) USER MOD Single : A 144 ASN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 150 TYR OH : rot 180:sc= -1.53! USER MOD Single : A 157 MET CE :methyl -127:sc= -2.48! (180deg=-4.74!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 8.948 6.496 0.838 1.00 1.27 N ATOM 28 CA LYS A 92 8.661 5.225 0.111 1.00 1.47 C ATOM 29 C LYS A 92 7.206 4.806 0.335 1.00 1.40 C ATOM 30 O LYS A 92 6.364 4.961 -0.528 1.00 1.56 O ATOM 31 CB LYS A 92 9.614 4.199 0.723 1.00 1.61 C ATOM 32 CG LYS A 92 10.459 3.562 -0.382 1.00 1.94 C ATOM 33 CD LYS A 92 10.557 2.054 -0.147 1.00 2.31 C ATOM 34 CE LYS A 92 11.974 1.699 0.310 1.00 2.59 C ATOM 35 NZ LYS A 92 12.846 2.014 -0.857 1.00 3.20 N ATOM 0 HA LYS A 92 8.801 5.322 -0.966 1.00 1.47 H new ATOM 0 HB2 LYS A 92 10.260 4.680 1.457 1.00 1.61 H new ATOM 0 HB3 LYS A 92 9.048 3.431 1.251 1.00 1.61 H new ATOM 0 HG2 LYS A 92 10.012 3.760 -1.356 1.00 1.94 H new ATOM 0 HG3 LYS A 92 11.455 4.004 -0.393 1.00 1.94 H new ATOM 0 HD2 LYS A 92 9.832 1.745 0.606 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.314 1.516 -1.063 1.00 2.31 H new ATOM 0 HE2 LYS A 92 12.263 2.279 1.186 1.00 2.59 H new ATOM 0 HE3 LYS A 92 12.048 0.647 0.585 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 13.624 1.325 -0.905 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 12.286 1.965 -1.732 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 13.238 2.971 -0.749 1.00 3.20 H new ATOM 49 N SER A 93 6.904 4.275 1.488 1.00 1.38 N ATOM 50 CA SER A 93 5.504 3.846 1.768 1.00 1.40 C ATOM 51 C SER A 93 4.893 4.722 2.863 1.00 1.20 C ATOM 52 O SER A 93 5.586 5.456 3.539 1.00 1.08 O ATOM 53 CB SER A 93 5.621 2.399 2.244 1.00 1.60 C ATOM 54 OG SER A 93 6.207 1.612 1.215 1.00 2.20 O ATOM 0 H SER A 93 7.566 4.120 2.248 1.00 1.38 H new ATOM 0 HA SER A 93 4.861 3.936 0.892 1.00 1.40 H new ATOM 0 HB2 SER A 93 6.229 2.349 3.147 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.637 2.008 2.501 1.00 1.60 H new ATOM 0 HG SER A 93 6.285 0.683 1.518 1.00 2.20 H new ATOM 60 N GLU A 94 3.600 4.650 3.040 1.00 1.26 N ATOM 61 CA GLU A 94 2.936 5.478 4.090 1.00 1.17 C ATOM 62 C GLU A 94 3.796 5.523 5.356 1.00 1.12 C ATOM 63 O GLU A 94 3.773 6.484 6.098 1.00 1.09 O ATOM 64 CB GLU A 94 1.608 4.776 4.366 1.00 1.33 C ATOM 65 CG GLU A 94 0.466 5.598 3.764 1.00 1.28 C ATOM 66 CD GLU A 94 -0.271 4.760 2.718 1.00 1.44 C ATOM 67 OE1 GLU A 94 0.371 3.936 2.087 1.00 1.94 O ATOM 68 OE2 GLU A 94 -1.465 4.957 2.564 1.00 2.09 O ATOM 0 H GLU A 94 2.973 4.052 2.501 1.00 1.26 H new ATOM 0 HA GLU A 94 2.792 6.510 3.771 1.00 1.17 H new ATOM 0 HB2 GLU A 94 1.617 3.775 3.936 1.00 1.33 H new ATOM 0 HB3 GLU A 94 1.461 4.660 5.440 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.224 5.909 4.548 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.859 6.506 3.307 1.00 1.28 H new ATOM 75 N GLU A 95 4.560 4.494 5.604 1.00 1.19 N ATOM 76 CA GLU A 95 5.424 4.486 6.818 1.00 1.23 C ATOM 77 C GLU A 95 6.166 5.819 6.932 1.00 1.03 C ATOM 78 O GLU A 95 5.943 6.591 7.843 1.00 1.01 O ATOM 79 CB GLU A 95 6.411 3.339 6.597 1.00 1.45 C ATOM 80 CG GLU A 95 6.155 2.238 7.628 1.00 1.90 C ATOM 81 CD GLU A 95 6.677 2.687 8.994 1.00 2.12 C ATOM 82 OE1 GLU A 95 7.885 2.741 9.156 1.00 2.49 O ATOM 83 OE2 GLU A 95 5.860 2.970 9.855 1.00 2.66 O ATOM 0 H GLU A 95 4.623 3.660 5.020 1.00 1.19 H new ATOM 0 HA GLU A 95 4.852 4.354 7.737 1.00 1.23 H new ATOM 0 HB2 GLU A 95 6.301 2.940 5.589 1.00 1.45 H new ATOM 0 HB3 GLU A 95 7.434 3.704 6.686 1.00 1.45 H new ATOM 0 HG2 GLU A 95 5.088 2.022 7.688 1.00 1.90 H new ATOM 0 HG3 GLU A 95 6.651 1.316 7.322 1.00 1.90 H new ATOM 90 N GLU A 96 7.042 6.100 6.005 1.00 1.02 N ATOM 91 CA GLU A 96 7.790 7.388 6.052 1.00 0.94 C ATOM 92 C GLU A 96 7.048 8.444 5.229 1.00 0.79 C ATOM 93 O GLU A 96 7.265 9.630 5.378 1.00 0.82 O ATOM 94 CB GLU A 96 9.153 7.081 5.431 1.00 1.15 C ATOM 95 CG GLU A 96 8.958 6.517 4.022 1.00 1.62 C ATOM 96 CD GLU A 96 9.575 5.119 3.941 1.00 1.99 C ATOM 97 OE1 GLU A 96 8.868 4.164 4.219 1.00 2.18 O ATOM 98 OE2 GLU A 96 10.743 5.027 3.602 1.00 2.78 O ATOM 0 H GLU A 96 7.271 5.493 5.218 1.00 1.02 H new ATOM 0 HA GLU A 96 7.889 7.778 7.065 1.00 0.94 H new ATOM 0 HB2 GLU A 96 9.758 7.987 5.391 1.00 1.15 H new ATOM 0 HB3 GLU A 96 9.693 6.364 6.049 1.00 1.15 H new ATOM 0 HG2 GLU A 96 7.896 6.472 3.781 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.424 7.175 3.288 1.00 1.62 H new ATOM 105 N LEU A 97 6.170 8.016 4.363 1.00 0.77 N ATOM 106 CA LEU A 97 5.404 8.985 3.528 1.00 0.71 C ATOM 107 C LEU A 97 4.861 10.119 4.402 1.00 0.67 C ATOM 108 O LEU A 97 4.915 11.277 4.039 1.00 0.75 O ATOM 109 CB LEU A 97 4.255 8.166 2.939 1.00 0.80 C ATOM 110 CG LEU A 97 4.240 8.306 1.416 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.803 9.722 1.039 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.643 8.038 0.863 1.00 1.22 C ATOM 0 H LEU A 97 5.950 7.034 4.197 1.00 0.77 H new ATOM 0 HA LEU A 97 6.018 9.446 2.755 1.00 0.71 H new ATOM 0 HB2 LEU A 97 4.366 7.117 3.215 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.306 8.506 3.353 1.00 0.80 H new ATOM 0 HG LEU A 97 3.541 7.585 0.992 1.00 0.77 H new ATOM 0 HD11 LEU A 97 3.792 9.823 -0.046 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.804 9.911 1.431 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.501 10.443 1.463 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.632 8.138 -0.222 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.344 8.757 1.286 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.953 7.028 1.131 1.00 1.22 H new ATOM 124 N SER A 98 4.339 9.793 5.553 1.00 0.69 N ATOM 125 CA SER A 98 3.792 10.849 6.452 1.00 0.76 C ATOM 126 C SER A 98 4.875 11.883 6.773 1.00 0.72 C ATOM 127 O SER A 98 4.603 13.059 6.909 1.00 0.77 O ATOM 128 CB SER A 98 3.366 10.109 7.718 1.00 0.92 C ATOM 129 OG SER A 98 4.420 10.164 8.671 1.00 1.57 O ATOM 0 H SER A 98 4.268 8.840 5.910 1.00 0.69 H new ATOM 0 HA SER A 98 2.962 11.389 5.997 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.463 10.560 8.130 1.00 0.92 H new ATOM 0 HB3 SER A 98 3.126 9.072 7.484 1.00 0.92 H new ATOM 0 HG SER A 98 4.149 9.691 9.486 1.00 1.57 H new ATOM 135 N ASP A 99 6.102 11.454 6.895 1.00 0.80 N ATOM 136 CA ASP A 99 7.199 12.414 7.205 1.00 0.86 C ATOM 137 C ASP A 99 7.617 13.160 5.934 1.00 0.81 C ATOM 138 O ASP A 99 8.097 14.275 5.987 1.00 0.91 O ATOM 139 CB ASP A 99 8.349 11.550 7.725 1.00 1.02 C ATOM 140 CG ASP A 99 8.015 11.046 9.130 1.00 1.23 C ATOM 141 OD1 ASP A 99 7.886 11.871 10.020 1.00 1.83 O ATOM 142 OD2 ASP A 99 7.894 9.843 9.293 1.00 1.79 O ATOM 0 H ASP A 99 6.392 10.481 6.793 1.00 0.80 H new ATOM 0 HA ASP A 99 6.898 13.167 7.933 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.516 10.707 7.055 1.00 1.02 H new ATOM 0 HB3 ASP A 99 9.272 12.129 7.745 1.00 1.02 H new ATOM 147 N LEU A 100 7.435 12.554 4.792 1.00 0.75 N ATOM 148 CA LEU A 100 7.818 13.231 3.520 1.00 0.76 C ATOM 149 C LEU A 100 7.016 14.524 3.351 1.00 0.68 C ATOM 150 O LEU A 100 7.571 15.596 3.214 1.00 0.79 O ATOM 151 CB LEU A 100 7.467 12.232 2.415 1.00 0.86 C ATOM 152 CG LEU A 100 8.708 11.951 1.565 1.00 0.79 C ATOM 153 CD1 LEU A 100 8.332 11.039 0.395 1.00 1.41 C ATOM 154 CD2 LEU A 100 9.263 13.270 1.022 1.00 1.41 C ATOM 0 H LEU A 100 7.038 11.620 4.685 1.00 0.75 H new ATOM 0 HA LEU A 100 8.873 13.505 3.498 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.096 11.305 2.853 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.668 12.631 1.790 1.00 0.86 H new ATOM 0 HG LEU A 100 9.464 11.461 2.179 1.00 0.79 H new ATOM 0 HD11 LEU A 100 9.217 10.840 -0.210 1.00 1.41 H new ATOM 0 HD12 LEU A 100 7.936 10.099 0.779 1.00 1.41 H new ATOM 0 HD13 LEU A 100 7.576 11.528 -0.219 1.00 1.41 H new ATOM 0 HD21 LEU A 100 10.147 13.071 0.416 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.506 13.758 0.409 1.00 1.41 H new ATOM 0 HD23 LEU A 100 9.532 13.921 1.854 1.00 1.41 H new ATOM 166 N PHE A 101 5.715 14.431 3.363 1.00 0.60 N ATOM 167 CA PHE A 101 4.879 15.657 3.206 1.00 0.59 C ATOM 168 C PHE A 101 5.385 16.761 4.138 1.00 0.60 C ATOM 169 O PHE A 101 5.459 17.915 3.766 1.00 0.72 O ATOM 170 CB PHE A 101 3.465 15.227 3.599 1.00 0.61 C ATOM 171 CG PHE A 101 2.472 16.252 3.108 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.399 16.558 1.743 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.626 16.898 4.016 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.478 17.509 1.288 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.705 17.849 3.561 1.00 0.90 C ATOM 176 CZ PHE A 101 0.631 18.154 2.197 1.00 0.69 C ATOM 0 H PHE A 101 5.194 13.561 3.474 1.00 0.60 H new ATOM 0 HA PHE A 101 4.914 16.055 2.192 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.238 14.251 3.170 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.392 15.124 4.682 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.053 16.061 1.042 1.00 0.68 H new ATOM 0 HD2 PHE A 101 1.684 16.663 5.069 1.00 0.86 H new ATOM 0 HE1 PHE A 101 1.421 17.745 0.236 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.052 18.347 4.262 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.080 18.887 1.846 1.00 0.69 H new ATOM 186 N ARG A 102 5.735 16.415 5.346 1.00 0.67 N ATOM 187 CA ARG A 102 6.236 17.445 6.300 1.00 0.76 C ATOM 188 C ARG A 102 7.290 18.325 5.621 1.00 0.68 C ATOM 189 O ARG A 102 7.091 19.508 5.426 1.00 0.78 O ATOM 190 CB ARG A 102 6.858 16.650 7.448 1.00 0.99 C ATOM 191 CG ARG A 102 5.972 16.769 8.690 1.00 1.30 C ATOM 192 CD ARG A 102 6.328 15.658 9.680 1.00 1.45 C ATOM 193 NE ARG A 102 7.543 16.150 10.388 1.00 2.12 N ATOM 194 CZ ARG A 102 8.171 15.372 11.230 1.00 2.71 C ATOM 195 NH1 ARG A 102 7.738 14.160 11.453 1.00 3.07 N ATOM 196 NH2 ARG A 102 9.234 15.807 11.850 1.00 3.37 N ATOM 0 H ARG A 102 5.696 15.464 5.714 1.00 0.67 H new ATOM 0 HA ARG A 102 5.444 18.109 6.647 1.00 0.76 H new ATOM 0 HB2 ARG A 102 6.965 15.603 7.163 1.00 0.99 H new ATOM 0 HB3 ARG A 102 7.858 17.025 7.664 1.00 0.99 H new ATOM 0 HG2 ARG A 102 6.111 17.744 9.156 1.00 1.30 H new ATOM 0 HG3 ARG A 102 4.921 16.697 8.408 1.00 1.30 H new ATOM 0 HD2 ARG A 102 5.511 15.474 10.378 1.00 1.45 H new ATOM 0 HD3 ARG A 102 6.525 14.718 9.165 1.00 1.45 H new ATOM 0 HE ARG A 102 7.885 17.095 10.215 1.00 2.12 H new ATOM 0 HH11 ARG A 102 6.908 13.818 10.969 1.00 3.07 H new ATOM 0 HH12 ARG A 102 8.230 13.555 12.111 1.00 3.07 H new ATOM 0 HH21 ARG A 102 9.574 16.753 11.677 1.00 3.37 H new ATOM 0 HH22 ARG A 102 9.725 15.201 12.507 1.00 3.37 H new ATOM 210 N MET A 103 8.408 17.759 5.258 1.00 0.71 N ATOM 211 CA MET A 103 9.470 18.566 4.591 1.00 0.75 C ATOM 212 C MET A 103 9.033 18.943 3.173 1.00 0.68 C ATOM 213 O MET A 103 9.485 19.922 2.613 1.00 0.83 O ATOM 214 CB MET A 103 10.697 17.654 4.551 1.00 0.93 C ATOM 215 CG MET A 103 11.403 17.688 5.907 1.00 1.27 C ATOM 216 SD MET A 103 13.085 18.320 5.694 1.00 1.82 S ATOM 217 CE MET A 103 12.635 20.025 5.287 1.00 2.43 C ATOM 0 H MET A 103 8.633 16.773 5.394 1.00 0.71 H new ATOM 0 HA MET A 103 9.674 19.498 5.119 1.00 0.75 H new ATOM 0 HB2 MET A 103 10.397 16.634 4.311 1.00 0.93 H new ATOM 0 HB3 MET A 103 11.379 17.979 3.766 1.00 0.93 H new ATOM 0 HG2 MET A 103 10.850 18.321 6.601 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.431 16.688 6.340 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.501 20.673 5.425 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.305 20.076 4.249 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.828 20.354 5.941 1.00 2.43 H new ATOM 227 N PHE A 104 8.156 18.173 2.590 1.00 0.68 N ATOM 228 CA PHE A 104 7.688 18.485 1.209 1.00 0.79 C ATOM 229 C PHE A 104 7.116 19.904 1.153 1.00 0.71 C ATOM 230 O PHE A 104 7.209 20.583 0.150 1.00 0.88 O ATOM 231 CB PHE A 104 6.595 17.457 0.920 1.00 0.94 C ATOM 232 CG PHE A 104 6.747 16.939 -0.489 1.00 1.31 C ATOM 233 CD1 PHE A 104 6.970 17.832 -1.544 1.00 2.03 C ATOM 234 CD2 PHE A 104 6.661 15.565 -0.742 1.00 1.26 C ATOM 235 CE1 PHE A 104 7.109 17.350 -2.851 1.00 2.65 C ATOM 236 CE2 PHE A 104 6.799 15.083 -2.049 1.00 1.86 C ATOM 237 CZ PHE A 104 7.023 15.976 -3.104 1.00 2.56 C ATOM 0 H PHE A 104 7.743 17.341 3.010 1.00 0.68 H new ATOM 0 HA PHE A 104 8.496 18.438 0.479 1.00 0.79 H new ATOM 0 HB2 PHE A 104 6.660 16.633 1.630 1.00 0.94 H new ATOM 0 HB3 PHE A 104 5.612 17.911 1.047 1.00 0.94 H new ATOM 0 HD1 PHE A 104 7.035 18.892 -1.350 1.00 2.03 H new ATOM 0 HD2 PHE A 104 6.488 14.876 0.072 1.00 1.26 H new ATOM 0 HE1 PHE A 104 7.283 18.039 -3.665 1.00 2.65 H new ATOM 0 HE2 PHE A 104 6.733 14.023 -2.244 1.00 1.86 H new ATOM 0 HZ PHE A 104 7.129 15.605 -4.113 1.00 2.56 H new ATOM 247 N ASP A 105 6.523 20.356 2.224 1.00 0.61 N ATOM 248 CA ASP A 105 5.945 21.730 2.232 1.00 0.60 C ATOM 249 C ASP A 105 7.025 22.755 2.582 1.00 0.56 C ATOM 250 O ASP A 105 6.974 23.397 3.611 1.00 0.63 O ATOM 251 CB ASP A 105 4.865 21.699 3.315 1.00 0.68 C ATOM 252 CG ASP A 105 3.853 22.817 3.059 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.054 23.567 2.118 1.00 0.84 O ATOM 254 OD2 ASP A 105 2.895 22.905 3.809 1.00 1.45 O ATOM 0 H ASP A 105 6.414 19.834 3.093 1.00 0.61 H new ATOM 0 HA ASP A 105 5.540 22.014 1.260 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.362 20.732 3.314 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.318 21.822 4.299 1.00 0.68 H new ATOM 259 N LYS A 106 8.003 22.915 1.732 1.00 0.59 N ATOM 260 CA LYS A 106 9.082 23.902 2.021 1.00 0.66 C ATOM 261 C LYS A 106 8.471 25.201 2.551 1.00 0.55 C ATOM 262 O LYS A 106 9.095 25.937 3.289 1.00 0.63 O ATOM 263 CB LYS A 106 9.771 24.142 0.676 1.00 0.87 C ATOM 264 CG LYS A 106 10.915 25.142 0.860 1.00 1.21 C ATOM 265 CD LYS A 106 12.229 24.384 1.063 1.00 1.61 C ATOM 266 CE LYS A 106 12.458 24.150 2.558 1.00 1.77 C ATOM 267 NZ LYS A 106 13.878 23.710 2.669 1.00 2.14 N ATOM 0 H LYS A 106 8.101 22.407 0.853 1.00 0.59 H new ATOM 0 HA LYS A 106 9.782 23.545 2.777 1.00 0.66 H new ATOM 0 HB2 LYS A 106 10.155 23.202 0.279 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.053 24.524 -0.050 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.988 25.791 -0.013 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.717 25.784 1.719 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.196 23.431 0.536 1.00 1.61 H new ATOM 0 HD3 LYS A 106 13.058 24.953 0.642 1.00 1.61 H new ATOM 0 HE2 LYS A 106 12.281 25.060 3.131 1.00 1.77 H new ATOM 0 HE3 LYS A 106 11.779 23.392 2.947 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.109 23.530 3.667 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 14.015 22.838 2.119 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.502 24.455 2.298 1.00 2.14 H new ATOM 281 N ASN A 107 7.253 25.484 2.178 1.00 0.48 N ATOM 282 CA ASN A 107 6.595 26.734 2.657 1.00 0.50 C ATOM 283 C ASN A 107 5.898 26.485 3.998 1.00 0.58 C ATOM 284 O ASN A 107 5.671 27.396 4.769 1.00 0.70 O ATOM 285 CB ASN A 107 5.569 27.073 1.576 1.00 0.54 C ATOM 286 CG ASN A 107 4.721 28.261 2.032 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.157 29.061 2.836 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.518 28.412 1.550 1.00 0.78 N ATOM 0 H ASN A 107 6.684 24.904 1.562 1.00 0.48 H new ATOM 0 HA ASN A 107 7.307 27.544 2.816 1.00 0.50 H new ATOM 0 HB2 ASN A 107 6.076 27.312 0.641 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.931 26.211 1.382 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.944 29.201 1.848 1.00 0.78 H new ATOM 0 HD22 ASN A 107 3.151 27.741 0.875 1.00 0.78 H new ATOM 295 N ALA A 108 5.561 25.257 4.282 1.00 0.65 N ATOM 296 CA ALA A 108 4.881 24.949 5.574 1.00 0.84 C ATOM 297 C ALA A 108 3.531 25.668 5.650 1.00 0.78 C ATOM 298 O ALA A 108 3.425 26.751 6.190 1.00 0.96 O ATOM 299 CB ALA A 108 5.830 25.473 6.652 1.00 1.03 C ATOM 0 H ALA A 108 5.727 24.453 3.676 1.00 0.65 H new ATOM 0 HA ALA A 108 4.677 23.885 5.690 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.402 25.285 7.637 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.790 24.964 6.570 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.976 26.545 6.519 1.00 1.03 H new ATOM 305 N ASP A 109 2.499 25.076 5.114 1.00 0.73 N ATOM 306 CA ASP A 109 1.158 25.730 5.159 1.00 0.74 C ATOM 307 C ASP A 109 0.045 24.685 5.016 1.00 0.78 C ATOM 308 O ASP A 109 -1.085 25.007 4.706 1.00 0.96 O ATOM 309 CB ASP A 109 1.149 26.695 3.973 1.00 0.72 C ATOM 310 CG ASP A 109 1.155 25.897 2.669 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.450 24.715 2.724 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.866 26.481 1.638 1.00 1.95 O ATOM 0 H ASP A 109 2.525 24.169 4.647 1.00 0.73 H new ATOM 0 HA ASP A 109 0.983 26.244 6.104 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.267 27.334 4.017 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.020 27.349 4.016 1.00 0.72 H new ATOM 317 N GLY A 110 0.354 23.437 5.245 1.00 0.76 N ATOM 318 CA GLY A 110 -0.689 22.376 5.130 1.00 0.85 C ATOM 319 C GLY A 110 -0.822 21.922 3.674 1.00 0.70 C ATOM 320 O GLY A 110 -1.544 20.993 3.371 1.00 0.73 O ATOM 0 H GLY A 110 1.283 23.106 5.507 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.426 21.527 5.761 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.646 22.756 5.489 1.00 0.85 H new ATOM 324 N TYR A 111 -0.137 22.565 2.768 1.00 0.68 N ATOM 325 CA TYR A 111 -0.238 22.157 1.336 1.00 0.60 C ATOM 326 C TYR A 111 1.074 22.454 0.602 1.00 0.58 C ATOM 327 O TYR A 111 1.956 23.105 1.125 1.00 0.83 O ATOM 328 CB TYR A 111 -1.378 23.000 0.763 1.00 0.68 C ATOM 329 CG TYR A 111 -2.610 22.824 1.620 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.472 21.744 1.394 1.00 0.71 C ATOM 331 CD2 TYR A 111 -2.887 23.740 2.642 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.612 21.580 2.191 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.027 23.575 3.439 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.889 22.495 3.213 1.00 0.80 C ATOM 335 OH TYR A 111 -6.012 22.332 3.998 1.00 0.90 O ATOM 0 H TYR A 111 0.485 23.351 2.955 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.425 21.089 1.225 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.089 24.051 0.733 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.589 22.698 -0.263 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -3.258 21.038 0.605 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -2.222 24.573 2.816 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -5.277 20.747 2.017 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -4.241 24.281 4.228 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.055 23.053 4.661 1.00 0.90 H new ATOM 345 N ILE A 112 1.209 21.978 -0.606 1.00 0.50 N ATOM 346 CA ILE A 112 2.463 22.232 -1.372 1.00 0.50 C ATOM 347 C ILE A 112 2.155 23.030 -2.641 1.00 0.49 C ATOM 348 O ILE A 112 1.247 22.709 -3.382 1.00 0.66 O ATOM 349 CB ILE A 112 2.995 20.845 -1.733 1.00 0.50 C ATOM 350 CG1 ILE A 112 3.389 20.102 -0.454 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.220 20.986 -2.639 1.00 0.58 C ATOM 352 CD1 ILE A 112 4.198 18.855 -0.816 1.00 0.66 C ATOM 0 H ILE A 112 0.506 21.425 -1.095 1.00 0.50 H new ATOM 0 HA ILE A 112 3.186 22.811 -0.797 1.00 0.50 H new ATOM 0 HB ILE A 112 2.220 20.284 -2.256 1.00 0.50 H new ATOM 0 HG12 ILE A 112 3.976 20.755 0.192 1.00 0.62 H new ATOM 0 HG13 ILE A 112 2.497 19.820 0.105 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.598 19.997 -2.896 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.940 21.515 -3.550 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.996 21.547 -2.118 1.00 0.58 H new ATOM 0 HD11 ILE A 112 4.478 18.326 0.095 1.00 0.66 H new ATOM 0 HD12 ILE A 112 3.595 18.200 -1.445 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.098 19.149 -1.356 1.00 0.66 H new ATOM 364 N ASP A 113 2.905 24.066 -2.899 1.00 0.47 N ATOM 365 CA ASP A 113 2.655 24.880 -4.123 1.00 0.50 C ATOM 366 C ASP A 113 3.500 24.354 -5.287 1.00 0.50 C ATOM 367 O ASP A 113 4.547 23.769 -5.091 1.00 0.57 O ATOM 368 CB ASP A 113 3.077 26.301 -3.748 1.00 0.60 C ATOM 369 CG ASP A 113 2.716 27.257 -4.887 1.00 1.17 C ATOM 370 OD1 ASP A 113 2.015 26.832 -5.790 1.00 1.85 O ATOM 371 OD2 ASP A 113 3.146 28.397 -4.836 1.00 1.77 O ATOM 0 H ASP A 113 3.679 24.384 -2.316 1.00 0.47 H new ATOM 0 HA ASP A 113 1.614 24.838 -4.443 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.579 26.609 -2.829 1.00 0.60 H new ATOM 0 HB3 ASP A 113 4.150 26.335 -3.556 1.00 0.60 H new ATOM 376 N LEU A 114 3.053 24.556 -6.496 1.00 0.52 N ATOM 377 CA LEU A 114 3.829 24.065 -7.673 1.00 0.57 C ATOM 378 C LEU A 114 5.273 24.571 -7.612 1.00 0.63 C ATOM 379 O LEU A 114 6.170 23.989 -8.191 1.00 0.80 O ATOM 380 CB LEU A 114 3.110 24.650 -8.888 1.00 0.62 C ATOM 381 CG LEU A 114 1.864 23.819 -9.192 1.00 0.61 C ATOM 382 CD1 LEU A 114 0.617 24.690 -9.027 1.00 0.91 C ATOM 383 CD2 LEU A 114 1.938 23.302 -10.629 1.00 0.81 C ATOM 0 H LEU A 114 2.184 25.040 -6.721 1.00 0.52 H new ATOM 0 HA LEU A 114 3.878 22.977 -7.708 1.00 0.57 H new ATOM 0 HB2 LEU A 114 2.831 25.686 -8.695 1.00 0.62 H new ATOM 0 HB3 LEU A 114 3.776 24.655 -9.751 1.00 0.62 H new ATOM 0 HG LEU A 114 1.811 22.976 -8.503 1.00 0.61 H new ATOM 0 HD11 LEU A 114 -0.272 24.098 -9.244 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.565 25.061 -8.003 1.00 0.91 H new ATOM 0 HD13 LEU A 114 0.668 25.533 -9.716 1.00 0.91 H new ATOM 0 HD21 LEU A 114 1.050 22.709 -10.848 1.00 0.81 H new ATOM 0 HD22 LEU A 114 1.990 24.146 -11.317 1.00 0.81 H new ATOM 0 HD23 LEU A 114 2.827 22.682 -10.747 1.00 0.81 H new ATOM 395 N ASP A 115 5.503 25.653 -6.922 1.00 0.61 N ATOM 396 CA ASP A 115 6.889 26.202 -6.832 1.00 0.71 C ATOM 397 C ASP A 115 7.651 25.557 -5.670 1.00 0.65 C ATOM 398 O ASP A 115 8.853 25.695 -5.554 1.00 0.89 O ATOM 399 CB ASP A 115 6.705 27.700 -6.586 1.00 0.80 C ATOM 400 CG ASP A 115 6.223 28.373 -7.873 1.00 1.17 C ATOM 401 OD1 ASP A 115 6.012 27.665 -8.844 1.00 1.76 O ATOM 402 OD2 ASP A 115 6.075 29.584 -7.866 1.00 1.76 O ATOM 0 H ASP A 115 4.793 26.182 -6.416 1.00 0.61 H new ATOM 0 HA ASP A 115 7.467 26.002 -7.734 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.983 27.862 -5.786 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.646 28.144 -6.261 1.00 0.80 H new ATOM 407 N GLU A 116 6.968 24.854 -4.809 1.00 0.51 N ATOM 408 CA GLU A 116 7.665 24.206 -3.660 1.00 0.48 C ATOM 409 C GLU A 116 8.048 22.768 -4.015 1.00 0.49 C ATOM 410 O GLU A 116 8.732 22.095 -3.269 1.00 0.63 O ATOM 411 CB GLU A 116 6.653 24.223 -2.515 1.00 0.48 C ATOM 412 CG GLU A 116 6.281 25.669 -2.184 1.00 0.57 C ATOM 413 CD GLU A 116 5.166 25.682 -1.136 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.120 24.761 -0.338 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.377 26.612 -1.151 1.00 1.19 O ATOM 0 H GLU A 116 5.961 24.700 -4.850 1.00 0.51 H new ATOM 0 HA GLU A 116 8.586 24.724 -3.395 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.761 23.662 -2.795 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.074 23.734 -1.636 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.154 26.203 -1.809 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.953 26.187 -3.085 1.00 0.57 H new ATOM 422 N LEU A 117 7.610 22.289 -5.146 1.00 0.48 N ATOM 423 CA LEU A 117 7.948 20.894 -5.546 1.00 0.52 C ATOM 424 C LEU A 117 9.261 20.870 -6.334 1.00 0.58 C ATOM 425 O LEU A 117 9.841 19.827 -6.562 1.00 0.69 O ATOM 426 CB LEU A 117 6.785 20.443 -6.432 1.00 0.55 C ATOM 427 CG LEU A 117 5.481 20.492 -5.633 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.364 21.058 -6.512 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.107 19.078 -5.183 1.00 0.53 C ATOM 0 H LEU A 117 7.032 22.803 -5.811 1.00 0.48 H new ATOM 0 HA LEU A 117 8.083 20.240 -4.684 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.711 21.088 -7.308 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.963 19.431 -6.795 1.00 0.55 H new ATOM 0 HG LEU A 117 5.614 21.130 -4.759 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.435 21.093 -5.943 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.630 22.065 -6.835 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.230 20.420 -7.386 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.178 19.111 -4.614 1.00 0.53 H new ATOM 0 HD22 LEU A 117 4.974 18.441 -6.058 1.00 0.53 H new ATOM 0 HD23 LEU A 117 5.902 18.673 -4.557 1.00 0.53 H new ATOM 441 N LYS A 118 9.731 22.013 -6.758 1.00 0.59 N ATOM 442 CA LYS A 118 11.003 22.055 -7.538 1.00 0.69 C ATOM 443 C LYS A 118 12.199 22.302 -6.613 1.00 0.64 C ATOM 444 O LYS A 118 13.339 22.132 -6.999 1.00 0.73 O ATOM 445 CB LYS A 118 10.829 23.224 -8.508 1.00 0.83 C ATOM 446 CG LYS A 118 10.450 24.484 -7.727 1.00 0.99 C ATOM 447 CD LYS A 118 10.952 25.720 -8.476 1.00 1.35 C ATOM 448 CE LYS A 118 9.785 26.679 -8.721 1.00 1.51 C ATOM 449 NZ LYS A 118 10.423 27.973 -9.089 1.00 1.99 N ATOM 0 H LYS A 118 9.290 22.919 -6.598 1.00 0.59 H new ATOM 0 HA LYS A 118 11.197 21.114 -8.053 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.753 23.391 -9.062 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.056 22.991 -9.240 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.368 24.536 -7.602 1.00 0.99 H new ATOM 0 HG3 LYS A 118 10.885 24.450 -6.728 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.730 26.218 -7.897 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.400 25.426 -9.425 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.137 26.317 -9.519 1.00 1.51 H new ATOM 0 HE3 LYS A 118 9.166 26.783 -7.830 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 9.686 28.684 -9.273 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.028 28.296 -8.308 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 11.001 27.844 -9.944 1.00 1.99 H new ATOM 463 N ILE A 119 11.955 22.709 -5.398 1.00 0.68 N ATOM 464 CA ILE A 119 13.086 22.972 -4.460 1.00 0.74 C ATOM 465 C ILE A 119 13.449 21.701 -3.686 1.00 0.75 C ATOM 466 O ILE A 119 14.599 21.461 -3.376 1.00 0.85 O ATOM 467 CB ILE A 119 12.569 24.047 -3.506 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.507 25.390 -4.237 1.00 1.22 C ATOM 469 CG2 ILE A 119 13.515 24.162 -2.309 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.226 26.127 -3.842 1.00 1.06 C ATOM 0 H ILE A 119 11.024 22.871 -5.013 1.00 0.68 H new ATOM 0 HA ILE A 119 13.987 23.289 -4.986 1.00 0.74 H new ATOM 0 HB ILE A 119 11.572 23.776 -3.158 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.379 25.994 -3.985 1.00 1.22 H new ATOM 0 HG13 ILE A 119 12.530 25.231 -5.315 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.147 24.929 -1.627 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.561 23.205 -1.788 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.511 24.434 -2.657 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.181 27.084 -4.362 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.360 25.524 -4.116 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.222 26.299 -2.766 1.00 1.06 H new ATOM 482 N MET A 120 12.479 20.890 -3.366 1.00 0.85 N ATOM 483 CA MET A 120 12.775 19.641 -2.607 1.00 1.01 C ATOM 484 C MET A 120 13.549 18.652 -3.484 1.00 0.95 C ATOM 485 O MET A 120 14.120 17.695 -2.999 1.00 1.11 O ATOM 486 CB MET A 120 11.408 19.068 -2.234 1.00 1.17 C ATOM 487 CG MET A 120 11.537 18.242 -0.953 1.00 1.52 C ATOM 488 SD MET A 120 11.389 16.483 -1.353 1.00 1.88 S ATOM 489 CE MET A 120 9.583 16.389 -1.286 1.00 1.43 C ATOM 0 H MET A 120 11.496 21.037 -3.596 1.00 0.85 H new ATOM 0 HA MET A 120 13.391 19.833 -1.729 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.690 19.875 -2.089 1.00 1.17 H new ATOM 0 HB3 MET A 120 11.028 18.446 -3.045 1.00 1.17 H new ATOM 0 HG2 MET A 120 12.497 18.438 -0.476 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.763 18.531 -0.242 1.00 1.52 H new ATOM 0 HE1 MET A 120 9.235 15.596 -1.948 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.267 16.174 -0.265 1.00 1.43 H new ATOM 0 HE3 MET A 120 9.157 17.341 -1.604 1.00 1.43 H new ATOM 499 N LEU A 121 13.572 18.874 -4.770 1.00 0.87 N ATOM 500 CA LEU A 121 14.308 17.943 -5.673 1.00 0.95 C ATOM 501 C LEU A 121 15.815 18.210 -5.599 1.00 0.87 C ATOM 502 O LEU A 121 16.620 17.388 -5.992 1.00 0.97 O ATOM 503 CB LEU A 121 13.776 18.247 -7.073 1.00 1.09 C ATOM 504 CG LEU A 121 12.268 17.998 -7.109 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.763 18.122 -8.547 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.973 16.592 -6.584 1.00 1.80 C ATOM 0 H LEU A 121 13.114 19.658 -5.234 1.00 0.87 H new ATOM 0 HA LEU A 121 14.159 16.899 -5.398 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.991 19.282 -7.339 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.277 17.618 -7.809 1.00 1.09 H new ATOM 0 HG LEU A 121 11.763 18.734 -6.484 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.688 17.944 -8.572 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.974 19.124 -8.922 1.00 2.03 H new ATOM 0 HD13 LEU A 121 12.267 17.387 -9.174 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.898 16.412 -6.609 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.478 15.856 -7.210 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.332 16.504 -5.559 1.00 1.80 H new ATOM 518 N GLN A 122 16.204 19.351 -5.098 1.00 0.82 N ATOM 519 CA GLN A 122 17.659 19.664 -5.001 1.00 0.95 C ATOM 520 C GLN A 122 18.408 18.496 -4.354 1.00 1.04 C ATOM 521 O GLN A 122 19.577 18.282 -4.604 1.00 1.19 O ATOM 522 CB GLN A 122 17.740 20.909 -4.118 1.00 1.14 C ATOM 523 CG GLN A 122 17.677 22.161 -4.995 1.00 1.42 C ATOM 524 CD GLN A 122 18.342 23.329 -4.267 1.00 1.85 C ATOM 525 OE1 GLN A 122 19.517 23.279 -3.962 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.636 24.387 -3.975 1.00 2.28 N ATOM 0 H GLN A 122 15.579 20.079 -4.752 1.00 0.82 H new ATOM 0 HA GLN A 122 18.112 19.829 -5.979 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.920 20.913 -3.400 1.00 1.14 H new ATOM 0 HB3 GLN A 122 18.666 20.901 -3.543 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.179 21.978 -5.945 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.640 22.405 -5.224 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.650 24.429 -4.231 1.00 2.28 H new ATOM 0 HE22 GLN A 122 18.071 25.172 -3.491 1.00 2.28 H new ATOM 535 N ALA A 123 17.743 17.738 -3.526 1.00 1.09 N ATOM 536 CA ALA A 123 18.419 16.585 -2.868 1.00 1.33 C ATOM 537 C ALA A 123 18.921 15.598 -3.924 1.00 1.38 C ATOM 538 O ALA A 123 19.742 14.744 -3.651 1.00 1.62 O ATOM 539 CB ALA A 123 17.342 15.939 -1.998 1.00 1.45 C ATOM 0 H ALA A 123 16.762 17.867 -3.277 1.00 1.09 H new ATOM 0 HA ALA A 123 19.285 16.891 -2.282 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.762 15.078 -1.478 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.981 16.663 -1.268 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.513 15.614 -2.627 1.00 1.45 H new ATOM 545 N THR A 124 18.435 15.712 -5.129 1.00 1.29 N ATOM 546 CA THR A 124 18.883 14.785 -6.207 1.00 1.47 C ATOM 547 C THR A 124 19.487 15.584 -7.365 1.00 1.44 C ATOM 548 O THR A 124 19.648 15.084 -8.460 1.00 1.72 O ATOM 549 CB THR A 124 17.614 14.060 -6.657 1.00 1.56 C ATOM 550 OG1 THR A 124 16.682 15.009 -7.157 1.00 2.16 O ATOM 551 CG2 THR A 124 17.000 13.318 -5.469 1.00 1.92 C ATOM 0 H THR A 124 17.746 16.408 -5.414 1.00 1.29 H new ATOM 0 HA THR A 124 19.649 14.088 -5.866 1.00 1.47 H new ATOM 0 HB THR A 124 17.862 13.344 -7.441 1.00 1.56 H new ATOM 0 HG1 THR A 124 16.473 15.663 -6.457 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.096 12.802 -5.791 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.716 12.591 -5.085 1.00 1.92 H new ATOM 0 HG23 THR A 124 16.751 14.032 -4.684 1.00 1.92 H new ATOM 559 N GLY A 125 19.819 16.824 -7.131 1.00 1.26 N ATOM 560 CA GLY A 125 20.409 17.655 -8.217 1.00 1.32 C ATOM 561 C GLY A 125 19.334 18.578 -8.792 1.00 1.26 C ATOM 562 O GLY A 125 19.629 19.574 -9.422 1.00 1.63 O ATOM 0 H GLY A 125 19.707 17.297 -6.234 1.00 1.26 H new ATOM 0 HA2 GLY A 125 21.240 18.244 -7.829 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.812 17.015 -9.002 1.00 1.32 H new ATOM 566 N GLU A 126 18.086 18.255 -8.579 1.00 1.02 N ATOM 567 CA GLU A 126 16.991 19.115 -9.113 1.00 1.08 C ATOM 568 C GLU A 126 17.317 19.558 -10.541 1.00 0.89 C ATOM 569 O GLU A 126 17.232 20.724 -10.873 1.00 0.87 O ATOM 570 CB GLU A 126 16.944 20.321 -8.175 1.00 1.34 C ATOM 571 CG GLU A 126 15.926 21.336 -8.698 1.00 1.45 C ATOM 572 CD GLU A 126 16.606 22.695 -8.876 1.00 1.61 C ATOM 573 OE1 GLU A 126 17.265 22.878 -9.886 1.00 2.09 O ATOM 574 OE2 GLU A 126 16.456 23.530 -7.999 1.00 2.16 O ATOM 0 H GLU A 126 17.778 17.433 -8.059 1.00 1.02 H new ATOM 0 HA GLU A 126 16.036 18.592 -9.153 1.00 1.08 H new ATOM 0 HB2 GLU A 126 16.671 20.002 -7.169 1.00 1.34 H new ATOM 0 HB3 GLU A 126 17.930 20.781 -8.107 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.513 20.997 -9.648 1.00 1.45 H new ATOM 0 HG3 GLU A 126 15.092 21.423 -8.001 1.00 1.45 H new ATOM 581 N THR A 127 17.684 18.638 -11.391 1.00 1.09 N ATOM 582 CA THR A 127 18.008 19.012 -12.795 1.00 1.21 C ATOM 583 C THR A 127 16.950 18.442 -13.739 1.00 1.29 C ATOM 584 O THR A 127 17.044 17.316 -14.187 1.00 1.60 O ATOM 585 CB THR A 127 19.373 18.378 -13.071 1.00 1.57 C ATOM 586 OG1 THR A 127 19.219 16.974 -13.221 1.00 1.91 O ATOM 587 CG2 THR A 127 20.317 18.668 -11.903 1.00 2.18 C ATOM 0 H THR A 127 17.773 17.645 -11.173 1.00 1.09 H new ATOM 0 HA THR A 127 18.027 20.091 -12.946 1.00 1.21 H new ATOM 0 HB THR A 127 19.791 18.798 -13.986 1.00 1.57 H new ATOM 0 HG1 THR A 127 18.623 16.789 -13.977 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.289 18.216 -12.100 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.434 19.746 -11.789 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.901 18.249 -10.987 1.00 2.18 H new ATOM 595 N ILE A 128 15.945 19.210 -14.046 1.00 1.08 N ATOM 596 CA ILE A 128 14.882 18.712 -14.960 1.00 1.20 C ATOM 597 C ILE A 128 14.489 19.806 -15.957 1.00 1.18 C ATOM 598 O ILE A 128 14.869 20.951 -15.816 1.00 1.15 O ATOM 599 CB ILE A 128 13.714 18.360 -14.040 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.480 19.503 -13.050 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.040 17.080 -13.269 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.269 19.180 -12.173 1.00 2.03 C ATOM 0 H ILE A 128 15.813 20.162 -13.704 1.00 1.08 H new ATOM 0 HA ILE A 128 15.203 17.855 -15.552 1.00 1.20 H new ATOM 0 HB ILE A 128 12.816 18.207 -14.638 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.364 19.647 -12.429 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.314 20.436 -13.588 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.207 16.829 -12.613 1.00 1.62 H new ATOM 0 HG22 ILE A 128 14.207 16.264 -13.972 1.00 1.62 H new ATOM 0 HG23 ILE A 128 14.939 17.234 -12.672 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.103 19.994 -11.468 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.387 19.058 -12.801 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.453 18.257 -11.624 1.00 2.03 H new ATOM 614 N THR A 129 13.729 19.466 -16.962 1.00 1.34 N ATOM 615 CA THR A 129 13.315 20.493 -17.960 1.00 1.42 C ATOM 616 C THR A 129 12.543 21.619 -17.266 1.00 1.16 C ATOM 617 O THR A 129 12.119 21.488 -16.135 1.00 0.97 O ATOM 618 CB THR A 129 12.413 19.749 -18.945 1.00 1.64 C ATOM 619 OG1 THR A 129 12.670 18.354 -18.857 1.00 2.23 O ATOM 620 CG2 THR A 129 12.697 20.233 -20.368 1.00 2.28 C ATOM 0 H THR A 129 13.378 18.524 -17.135 1.00 1.34 H new ATOM 0 HA THR A 129 14.168 20.953 -18.460 1.00 1.42 H new ATOM 0 HB THR A 129 11.369 19.944 -18.700 1.00 1.64 H new ATOM 0 HG1 THR A 129 12.092 17.874 -19.486 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.053 19.701 -21.068 1.00 2.28 H new ATOM 0 HG22 THR A 129 12.500 21.303 -20.434 1.00 2.28 H new ATOM 0 HG23 THR A 129 13.741 20.040 -20.616 1.00 2.28 H new ATOM 628 N GLU A 130 12.359 22.725 -17.933 1.00 1.31 N ATOM 629 CA GLU A 130 11.617 23.858 -17.307 1.00 1.28 C ATOM 630 C GLU A 130 10.133 23.509 -17.163 1.00 1.16 C ATOM 631 O GLU A 130 9.446 24.022 -16.301 1.00 1.21 O ATOM 632 CB GLU A 130 11.801 25.030 -18.272 1.00 1.69 C ATOM 633 CG GLU A 130 11.352 24.611 -19.673 1.00 2.05 C ATOM 634 CD GLU A 130 10.853 25.839 -20.438 1.00 2.43 C ATOM 635 OE1 GLU A 130 11.586 26.813 -20.497 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.748 25.784 -20.951 1.00 3.03 O ATOM 0 H GLU A 130 12.689 22.894 -18.883 1.00 1.31 H new ATOM 0 HA GLU A 130 11.984 24.089 -16.307 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.220 25.888 -17.934 1.00 1.69 H new ATOM 0 HB3 GLU A 130 12.846 25.339 -18.291 1.00 1.69 H new ATOM 0 HG2 GLU A 130 12.181 24.148 -20.209 1.00 2.05 H new ATOM 0 HG3 GLU A 130 10.560 23.865 -19.605 1.00 2.05 H new ATOM 643 N ASP A 131 9.633 22.643 -18.000 1.00 1.18 N ATOM 644 CA ASP A 131 8.192 22.265 -17.911 1.00 1.19 C ATOM 645 C ASP A 131 8.009 21.087 -16.949 1.00 1.07 C ATOM 646 O ASP A 131 6.981 20.945 -16.316 1.00 1.14 O ATOM 647 CB ASP A 131 7.802 21.863 -19.333 1.00 1.44 C ATOM 648 CG ASP A 131 7.212 23.072 -20.062 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.043 23.351 -19.854 1.00 1.91 O ATOM 650 OD2 ASP A 131 7.938 23.697 -20.817 1.00 2.07 O ATOM 0 H ASP A 131 10.158 22.180 -18.742 1.00 1.18 H new ATOM 0 HA ASP A 131 7.574 23.079 -17.532 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.675 21.492 -19.870 1.00 1.44 H new ATOM 0 HB3 ASP A 131 7.075 21.051 -19.306 1.00 1.44 H new ATOM 655 N ASP A 132 8.995 20.240 -16.836 1.00 1.00 N ATOM 656 CA ASP A 132 8.873 19.073 -15.915 1.00 1.03 C ATOM 657 C ASP A 132 8.660 19.552 -14.477 1.00 0.88 C ATOM 658 O ASP A 132 8.284 18.791 -13.608 1.00 1.03 O ATOM 659 CB ASP A 132 10.202 18.328 -16.040 1.00 1.13 C ATOM 660 CG ASP A 132 9.934 16.850 -16.331 1.00 1.39 C ATOM 661 OD1 ASP A 132 8.825 16.538 -16.733 1.00 1.79 O ATOM 662 OD2 ASP A 132 10.841 16.056 -16.145 1.00 1.99 O ATOM 0 H ASP A 132 9.879 20.305 -17.341 1.00 1.00 H new ATOM 0 HA ASP A 132 8.024 18.437 -16.166 1.00 1.03 H new ATOM 0 HB2 ASP A 132 10.801 18.764 -16.839 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.776 18.430 -15.119 1.00 1.13 H new ATOM 667 N ILE A 133 8.899 20.809 -14.220 1.00 0.75 N ATOM 668 CA ILE A 133 8.712 21.336 -12.838 1.00 0.77 C ATOM 669 C ILE A 133 7.287 21.057 -12.353 1.00 0.70 C ATOM 670 O ILE A 133 7.075 20.304 -11.424 1.00 0.82 O ATOM 671 CB ILE A 133 8.954 22.841 -12.951 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.397 23.093 -13.395 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.716 23.500 -11.591 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.359 22.556 -12.334 1.00 1.00 C ATOM 0 H ILE A 133 9.215 21.494 -14.907 1.00 0.75 H new ATOM 0 HA ILE A 133 9.388 20.867 -12.123 1.00 0.77 H new ATOM 0 HB ILE A 133 8.268 23.265 -13.685 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.585 22.605 -14.351 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.562 24.160 -13.544 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.889 24.573 -11.672 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.689 23.320 -11.275 1.00 1.06 H new ATOM 0 HG23 ILE A 133 9.401 23.076 -10.857 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.387 22.735 -12.650 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.177 23.064 -11.387 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.200 21.485 -12.207 1.00 1.00 H new ATOM 686 N GLU A 134 6.309 21.657 -12.975 1.00 0.61 N ATOM 687 CA GLU A 134 4.901 21.422 -12.546 1.00 0.64 C ATOM 688 C GLU A 134 4.416 20.062 -13.056 1.00 0.64 C ATOM 689 O GLU A 134 3.448 19.515 -12.568 1.00 0.76 O ATOM 690 CB GLU A 134 4.095 22.557 -13.179 1.00 0.73 C ATOM 691 CG GLU A 134 4.377 22.612 -14.681 1.00 0.89 C ATOM 692 CD GLU A 134 4.904 23.999 -15.052 1.00 1.21 C ATOM 693 OE1 GLU A 134 5.778 24.487 -14.354 1.00 1.86 O ATOM 694 OE2 GLU A 134 4.424 24.552 -16.028 1.00 1.87 O ATOM 0 H GLU A 134 6.424 22.298 -13.760 1.00 0.61 H new ATOM 0 HA GLU A 134 4.795 21.410 -11.461 1.00 0.64 H new ATOM 0 HB2 GLU A 134 3.030 22.402 -13.004 1.00 0.73 H new ATOM 0 HB3 GLU A 134 4.359 23.507 -12.714 1.00 0.73 H new ATOM 0 HG2 GLU A 134 5.107 21.850 -14.953 1.00 0.89 H new ATOM 0 HG3 GLU A 134 3.467 22.396 -15.241 1.00 0.89 H new ATOM 701 N GLU A 135 5.085 19.510 -14.033 1.00 0.59 N ATOM 702 CA GLU A 135 4.662 18.183 -14.567 1.00 0.67 C ATOM 703 C GLU A 135 4.560 17.171 -13.423 1.00 0.74 C ATOM 704 O GLU A 135 3.756 16.260 -13.455 1.00 0.91 O ATOM 705 CB GLU A 135 5.762 17.780 -15.550 1.00 0.72 C ATOM 706 CG GLU A 135 5.498 16.360 -16.058 1.00 1.16 C ATOM 707 CD GLU A 135 5.892 16.262 -17.534 1.00 1.56 C ATOM 708 OE1 GLU A 135 6.702 17.065 -17.966 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.376 15.384 -18.207 1.00 2.03 O ATOM 0 H GLU A 135 5.904 19.919 -14.483 1.00 0.59 H new ATOM 0 HA GLU A 135 3.685 18.220 -15.050 1.00 0.67 H new ATOM 0 HB2 GLU A 135 5.790 18.478 -16.387 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.736 17.828 -15.062 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.068 15.641 -15.470 1.00 1.16 H new ATOM 0 HG3 GLU A 135 4.445 16.109 -15.935 1.00 1.16 H new ATOM 716 N LEU A 136 5.369 17.327 -12.410 1.00 0.73 N ATOM 717 CA LEU A 136 5.318 16.379 -11.260 1.00 0.87 C ATOM 718 C LEU A 136 4.044 16.613 -10.445 1.00 0.81 C ATOM 719 O LEU A 136 3.586 15.746 -9.727 1.00 1.00 O ATOM 720 CB LEU A 136 6.557 16.706 -10.425 1.00 0.99 C ATOM 721 CG LEU A 136 7.818 16.367 -11.221 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.974 17.253 -10.752 1.00 1.74 C ATOM 723 CD2 LEU A 136 8.180 14.897 -10.997 1.00 1.75 C ATOM 0 H LEU A 136 6.063 18.070 -12.329 1.00 0.73 H new ATOM 0 HA LEU A 136 5.306 15.337 -11.579 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.558 17.762 -10.156 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.540 16.140 -9.494 1.00 0.99 H new ATOM 0 HG LEU A 136 7.636 16.541 -12.281 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.872 17.010 -11.320 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.717 18.300 -10.910 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.158 17.080 -9.692 1.00 1.74 H new ATOM 0 HD21 LEU A 136 9.079 14.653 -11.564 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.362 14.725 -9.936 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.358 14.265 -11.331 1.00 1.75 H new ATOM 735 N MET A 137 3.468 17.780 -10.551 1.00 0.67 N ATOM 736 CA MET A 137 2.224 18.070 -9.782 1.00 0.71 C ATOM 737 C MET A 137 1.018 17.410 -10.456 1.00 0.68 C ATOM 738 O MET A 137 0.012 17.149 -9.826 1.00 0.70 O ATOM 739 CB MET A 137 2.087 19.593 -9.808 1.00 0.82 C ATOM 740 CG MET A 137 1.571 20.081 -8.452 1.00 0.99 C ATOM 741 SD MET A 137 0.053 21.038 -8.695 1.00 0.94 S ATOM 742 CE MET A 137 0.044 21.863 -7.084 1.00 0.53 C ATOM 0 H MET A 137 3.805 18.544 -11.136 1.00 0.67 H new ATOM 0 HA MET A 137 2.269 17.683 -8.764 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.051 20.052 -10.029 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.401 19.894 -10.600 1.00 0.82 H new ATOM 0 HG2 MET A 137 1.377 19.231 -7.797 1.00 0.99 H new ATOM 0 HG3 MET A 137 2.327 20.695 -7.963 1.00 0.99 H new ATOM 0 HE1 MET A 137 -0.386 22.859 -7.188 1.00 0.53 H new ATOM 0 HE2 MET A 137 -0.553 21.282 -6.381 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.065 21.945 -6.712 1.00 0.53 H new ATOM 752 N LYS A 138 1.109 17.139 -11.730 1.00 0.76 N ATOM 753 CA LYS A 138 -0.035 16.494 -12.439 1.00 0.82 C ATOM 754 C LYS A 138 -0.633 15.384 -11.573 1.00 0.72 C ATOM 755 O LYS A 138 -1.836 15.240 -11.474 1.00 0.84 O ATOM 756 CB LYS A 138 0.568 15.911 -13.717 1.00 0.99 C ATOM 757 CG LYS A 138 0.238 16.824 -14.900 1.00 1.57 C ATOM 758 CD LYS A 138 -0.565 16.042 -15.942 1.00 2.09 C ATOM 759 CE LYS A 138 0.001 16.318 -17.337 1.00 2.74 C ATOM 760 NZ LYS A 138 1.361 15.710 -17.330 1.00 3.43 N ATOM 0 H LYS A 138 1.924 17.336 -12.310 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.839 17.198 -12.653 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.648 15.813 -13.610 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.173 14.911 -13.895 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.333 17.687 -14.558 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.157 17.206 -15.345 1.00 1.57 H new ATOM 0 HD2 LYS A 138 -0.520 14.975 -15.725 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -1.615 16.332 -15.900 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -0.625 15.875 -18.111 1.00 2.74 H new ATOM 0 HE3 LYS A 138 0.048 17.388 -17.539 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 1.552 15.276 -18.256 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 2.070 16.447 -17.140 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 1.412 14.982 -16.589 1.00 3.43 H new ATOM 774 N ASP A 139 0.197 14.602 -10.940 1.00 0.75 N ATOM 775 CA ASP A 139 -0.325 13.505 -10.077 1.00 0.78 C ATOM 776 C ASP A 139 -0.664 14.049 -8.687 1.00 0.70 C ATOM 777 O ASP A 139 -1.689 13.731 -8.117 1.00 0.81 O ATOM 778 CB ASP A 139 0.813 12.487 -9.995 1.00 0.97 C ATOM 779 CG ASP A 139 0.244 11.073 -10.122 1.00 1.16 C ATOM 780 OD1 ASP A 139 -0.960 10.926 -9.994 1.00 1.66 O ATOM 781 OD2 ASP A 139 1.023 10.160 -10.345 1.00 1.69 O ATOM 0 H ASP A 139 1.213 14.675 -10.983 1.00 0.75 H new ATOM 0 HA ASP A 139 -1.237 13.060 -10.476 1.00 0.78 H new ATOM 0 HB2 ASP A 139 1.538 12.671 -10.788 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.343 12.593 -9.048 1.00 0.97 H new ATOM 786 N GLY A 140 0.188 14.873 -8.139 1.00 0.64 N ATOM 787 CA GLY A 140 -0.088 15.441 -6.789 1.00 0.62 C ATOM 788 C GLY A 140 -1.348 16.305 -6.853 1.00 0.57 C ATOM 789 O GLY A 140 -2.029 16.503 -5.866 1.00 0.65 O ATOM 0 H GLY A 140 1.062 15.177 -8.568 1.00 0.64 H new ATOM 0 HA2 GLY A 140 -0.220 14.638 -6.064 1.00 0.62 H new ATOM 0 HA3 GLY A 140 0.760 16.038 -6.453 1.00 0.62 H new ATOM 793 N ASP A 141 -1.666 16.818 -8.011 1.00 0.56 N ATOM 794 CA ASP A 141 -2.884 17.667 -8.145 1.00 0.56 C ATOM 795 C ASP A 141 -3.636 17.303 -9.429 1.00 0.58 C ATOM 796 O ASP A 141 -3.979 18.156 -10.222 1.00 0.64 O ATOM 797 CB ASP A 141 -2.363 19.104 -8.215 1.00 0.60 C ATOM 798 CG ASP A 141 -3.290 20.023 -7.417 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.413 19.621 -7.161 1.00 1.14 O ATOM 800 OD2 ASP A 141 -2.862 21.114 -7.077 1.00 1.23 O ATOM 0 H ASP A 141 -1.134 16.685 -8.871 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.579 17.529 -7.317 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.350 19.155 -7.815 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.312 19.433 -9.253 1.00 0.60 H new ATOM 805 N LYS A 142 -3.891 16.040 -9.640 1.00 0.62 N ATOM 806 CA LYS A 142 -4.617 15.618 -10.873 1.00 0.70 C ATOM 807 C LYS A 142 -5.873 16.469 -11.069 1.00 0.79 C ATOM 808 O LYS A 142 -6.379 16.603 -12.166 1.00 0.92 O ATOM 809 CB LYS A 142 -4.995 14.157 -10.625 1.00 0.79 C ATOM 810 CG LYS A 142 -3.809 13.256 -10.972 1.00 0.88 C ATOM 811 CD LYS A 142 -4.319 11.861 -11.340 1.00 1.37 C ATOM 812 CE LYS A 142 -3.165 11.024 -11.898 1.00 1.79 C ATOM 813 NZ LYS A 142 -3.391 10.991 -13.370 1.00 2.44 N ATOM 0 H LYS A 142 -3.628 15.281 -9.011 1.00 0.62 H new ATOM 0 HA LYS A 142 -4.010 15.739 -11.771 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -5.279 14.016 -9.582 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.860 13.886 -11.231 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.247 13.681 -11.804 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.126 13.193 -10.125 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -4.743 11.374 -10.462 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.117 11.937 -12.079 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -2.200 11.471 -11.656 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -3.166 10.019 -11.476 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -2.639 10.434 -13.824 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.314 10.555 -13.570 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.378 11.961 -13.745 1.00 2.44 H new ATOM 827 N ASN A 143 -6.382 17.043 -10.014 1.00 0.80 N ATOM 828 CA ASN A 143 -7.609 17.883 -10.138 1.00 0.95 C ATOM 829 C ASN A 143 -7.231 19.328 -10.482 1.00 0.92 C ATOM 830 O ASN A 143 -8.073 20.201 -10.547 1.00 1.08 O ATOM 831 CB ASN A 143 -8.275 17.805 -8.762 1.00 1.07 C ATOM 832 CG ASN A 143 -9.276 18.950 -8.604 1.00 1.36 C ATOM 833 OD1 ASN A 143 -10.125 19.153 -9.450 1.00 1.95 O ATOM 834 ND2 ASN A 143 -9.213 19.712 -7.547 1.00 1.70 N ATOM 0 H ASN A 143 -6.002 16.967 -9.070 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.273 17.539 -10.931 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.783 16.847 -8.648 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -7.519 17.860 -7.979 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -9.876 20.478 -7.430 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -8.501 19.542 -6.837 1.00 1.70 H new ATOM 841 N ASN A 144 -5.970 19.582 -10.704 1.00 0.86 N ATOM 842 CA ASN A 144 -5.533 20.968 -11.047 1.00 0.93 C ATOM 843 C ASN A 144 -6.267 21.991 -10.176 1.00 1.03 C ATOM 844 O ASN A 144 -6.994 22.832 -10.667 1.00 1.71 O ATOM 845 CB ASN A 144 -5.906 21.148 -12.519 1.00 1.08 C ATOM 846 CG ASN A 144 -4.982 22.189 -13.154 1.00 1.49 C ATOM 847 OD1 ASN A 144 -4.078 21.847 -13.890 1.00 2.18 O ATOM 848 ND2 ASN A 144 -5.172 23.455 -12.899 1.00 1.97 N ATOM 0 H ASN A 144 -5.222 18.890 -10.663 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.467 21.117 -10.875 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.819 20.198 -13.046 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -6.945 21.466 -12.606 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -4.562 24.157 -13.318 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -5.931 23.742 -12.281 1.00 1.97 H new ATOM 855 N ASP A 145 -6.081 21.924 -8.887 1.00 0.88 N ATOM 856 CA ASP A 145 -6.765 22.891 -7.980 1.00 0.92 C ATOM 857 C ASP A 145 -5.745 23.886 -7.413 1.00 0.91 C ATOM 858 O ASP A 145 -6.100 24.874 -6.802 1.00 1.07 O ATOM 859 CB ASP A 145 -7.375 22.020 -6.874 1.00 0.93 C ATOM 860 CG ASP A 145 -7.491 22.812 -5.568 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.092 23.874 -5.593 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.978 22.341 -4.567 1.00 2.06 O ATOM 0 H ASP A 145 -5.484 21.241 -8.421 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.526 23.485 -8.486 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -8.360 21.669 -7.182 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.756 21.136 -6.716 1.00 0.93 H new ATOM 867 N GLY A 146 -4.481 23.632 -7.614 1.00 0.84 N ATOM 868 CA GLY A 146 -3.441 24.562 -7.091 1.00 0.92 C ATOM 869 C GLY A 146 -3.122 24.211 -5.637 1.00 0.66 C ATOM 870 O GLY A 146 -2.442 24.945 -4.947 1.00 0.74 O ATOM 0 H GLY A 146 -4.124 22.820 -8.118 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.539 24.493 -7.699 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.793 25.592 -7.158 1.00 0.92 H new ATOM 874 N ARG A 147 -3.606 23.096 -5.163 1.00 0.56 N ATOM 875 CA ARG A 147 -3.326 22.704 -3.751 1.00 0.54 C ATOM 876 C ARG A 147 -3.085 21.194 -3.656 1.00 0.46 C ATOM 877 O ARG A 147 -3.735 20.408 -4.317 1.00 0.45 O ATOM 878 CB ARG A 147 -4.580 23.100 -2.971 1.00 0.77 C ATOM 879 CG ARG A 147 -4.263 24.294 -2.070 1.00 1.39 C ATOM 880 CD ARG A 147 -5.536 25.108 -1.829 1.00 1.79 C ATOM 881 NE ARG A 147 -5.732 25.889 -3.082 1.00 2.55 N ATOM 882 CZ ARG A 147 -6.476 26.963 -3.078 1.00 2.87 C ATOM 883 NH1 ARG A 147 -7.060 27.354 -1.977 1.00 3.10 N ATOM 884 NH2 ARG A 147 -6.638 27.646 -4.178 1.00 3.37 N ATOM 0 H ARG A 147 -4.182 22.440 -5.690 1.00 0.56 H new ATOM 0 HA ARG A 147 -2.433 23.191 -3.358 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -5.385 23.354 -3.660 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.928 22.260 -2.370 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -3.856 23.948 -1.120 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -3.501 24.920 -2.534 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -6.389 24.459 -1.630 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -5.428 25.765 -0.966 1.00 1.79 H new ATOM 0 HE ARG A 147 -5.284 25.584 -3.946 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -6.936 26.820 -1.117 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -7.640 28.193 -1.978 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -6.184 27.341 -5.039 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -7.219 28.485 -4.177 1.00 3.37 H new ATOM 898 N ILE A 148 -2.155 20.785 -2.835 1.00 0.49 N ATOM 899 CA ILE A 148 -1.870 19.327 -2.693 1.00 0.44 C ATOM 900 C ILE A 148 -2.118 18.883 -1.248 1.00 0.46 C ATOM 901 O ILE A 148 -1.293 19.081 -0.378 1.00 0.63 O ATOM 902 CB ILE A 148 -0.390 19.176 -3.051 1.00 0.46 C ATOM 903 CG1 ILE A 148 -0.076 20.002 -4.302 1.00 0.56 C ATOM 904 CG2 ILE A 148 -0.077 17.704 -3.327 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.334 19.668 -4.793 1.00 0.63 C ATOM 0 H ILE A 148 -1.580 21.397 -2.256 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.508 18.716 -3.331 1.00 0.44 H new ATOM 0 HB ILE A 148 0.218 19.530 -2.218 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.805 19.789 -5.084 1.00 0.56 H new ATOM 0 HG13 ILE A 148 -0.152 21.066 -4.077 1.00 0.56 H new ATOM 0 HG21 ILE A 148 0.977 17.598 -3.582 1.00 0.47 H new ATOM 0 HG22 ILE A 148 -0.297 17.112 -2.438 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.688 17.352 -4.158 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.558 20.256 -5.683 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.057 19.903 -4.012 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.393 18.607 -5.034 1.00 0.63 H new ATOM 917 N ASP A 149 -3.250 18.287 -0.982 1.00 0.48 N ATOM 918 CA ASP A 149 -3.546 17.836 0.410 1.00 0.53 C ATOM 919 C ASP A 149 -2.805 16.529 0.714 1.00 0.53 C ATOM 920 O ASP A 149 -1.917 16.125 -0.009 1.00 0.63 O ATOM 921 CB ASP A 149 -5.060 17.619 0.448 1.00 0.58 C ATOM 922 CG ASP A 149 -5.411 16.348 -0.325 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.591 15.917 -1.116 1.00 1.84 O ATOM 924 OD2 ASP A 149 -6.495 15.829 -0.113 1.00 1.65 O ATOM 0 H ASP A 149 -3.981 18.093 -1.666 1.00 0.48 H new ATOM 0 HA ASP A 149 -3.223 18.563 1.155 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -5.401 17.536 1.480 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.572 18.476 0.011 1.00 0.58 H new ATOM 929 N TYR A 150 -3.164 15.869 1.782 1.00 0.58 N ATOM 930 CA TYR A 150 -2.480 14.591 2.139 1.00 0.60 C ATOM 931 C TYR A 150 -3.073 13.425 1.343 1.00 0.59 C ATOM 932 O TYR A 150 -2.469 12.378 1.214 1.00 0.63 O ATOM 933 CB TYR A 150 -2.750 14.408 3.633 1.00 0.73 C ATOM 934 CG TYR A 150 -1.772 13.412 4.209 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.525 13.846 4.674 1.00 1.22 C ATOM 936 CD2 TYR A 150 -2.111 12.055 4.279 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.383 12.924 5.209 1.00 1.56 C ATOM 938 CE2 TYR A 150 -1.203 11.133 4.814 1.00 1.43 C ATOM 939 CZ TYR A 150 0.044 11.567 5.279 1.00 1.48 C ATOM 940 OH TYR A 150 0.939 10.659 5.807 1.00 1.96 O ATOM 0 H TYR A 150 -3.902 16.159 2.424 1.00 0.58 H new ATOM 0 HA TYR A 150 -1.414 14.617 1.912 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -2.657 15.364 4.149 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.771 14.060 3.788 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.263 14.892 4.620 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -3.073 11.720 3.920 1.00 1.15 H new ATOM 0 HE1 TYR A 150 1.345 13.259 5.568 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -1.465 10.087 4.868 1.00 1.43 H new ATOM 0 HH TYR A 150 0.547 9.761 5.783 1.00 1.96 H new ATOM 950 N ASP A 151 -4.253 13.594 0.812 1.00 0.64 N ATOM 951 CA ASP A 151 -4.884 12.491 0.030 1.00 0.70 C ATOM 952 C ASP A 151 -4.347 12.478 -1.404 1.00 0.63 C ATOM 953 O ASP A 151 -4.004 11.443 -1.940 1.00 0.77 O ATOM 954 CB ASP A 151 -6.379 12.810 0.039 1.00 0.79 C ATOM 955 CG ASP A 151 -7.180 11.514 0.178 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.564 10.462 0.229 1.00 1.90 O ATOM 957 OD2 ASP A 151 -8.396 11.596 0.231 1.00 1.83 O ATOM 0 H ASP A 151 -4.808 14.447 0.885 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.671 11.510 0.454 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.612 13.484 0.864 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.657 13.324 -0.881 1.00 0.79 H new ATOM 962 N GLU A 152 -4.276 13.620 -2.031 1.00 0.54 N ATOM 963 CA GLU A 152 -3.767 13.675 -3.431 1.00 0.56 C ATOM 964 C GLU A 152 -2.259 13.414 -3.463 1.00 0.52 C ATOM 965 O GLU A 152 -1.726 12.920 -4.437 1.00 0.65 O ATOM 966 CB GLU A 152 -4.073 15.095 -3.910 1.00 0.60 C ATOM 967 CG GLU A 152 -5.525 15.174 -4.384 1.00 0.77 C ATOM 968 CD GLU A 152 -5.883 16.628 -4.697 1.00 0.72 C ATOM 969 OE1 GLU A 152 -6.137 17.370 -3.763 1.00 1.40 O ATOM 970 OE2 GLU A 152 -5.896 16.975 -5.867 1.00 1.17 O ATOM 0 H GLU A 152 -4.549 14.519 -1.634 1.00 0.54 H new ATOM 0 HA GLU A 152 -4.232 12.920 -4.065 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.904 15.807 -3.102 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -3.399 15.369 -4.722 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.663 14.556 -5.271 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -6.191 14.782 -3.615 1.00 0.77 H new ATOM 977 N PHE A 153 -1.564 13.743 -2.408 1.00 0.46 N ATOM 978 CA PHE A 153 -0.092 13.512 -2.390 1.00 0.46 C ATOM 979 C PHE A 153 0.213 12.019 -2.532 1.00 0.50 C ATOM 980 O PHE A 153 1.099 11.624 -3.263 1.00 0.64 O ATOM 981 CB PHE A 153 0.379 14.028 -1.030 1.00 0.49 C ATOM 982 CG PHE A 153 1.854 13.747 -0.872 1.00 0.48 C ATOM 983 CD1 PHE A 153 2.738 14.038 -1.918 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.337 13.193 0.319 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.106 13.775 -1.772 1.00 0.73 C ATOM 986 CE2 PHE A 153 3.704 12.930 0.465 1.00 0.61 C ATOM 987 CZ PHE A 153 4.589 13.221 -0.581 1.00 0.68 C ATOM 0 H PHE A 153 -1.950 14.160 -1.561 1.00 0.46 H new ATOM 0 HA PHE A 153 0.412 14.019 -3.213 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.191 15.099 -0.949 1.00 0.49 H new ATOM 0 HB3 PHE A 153 -0.183 13.545 -0.231 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.365 14.465 -2.837 1.00 0.62 H new ATOM 0 HD2 PHE A 153 1.655 12.968 1.126 1.00 0.52 H new ATOM 0 HE1 PHE A 153 4.788 14.000 -2.579 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.076 12.503 1.384 1.00 0.61 H new ATOM 0 HZ PHE A 153 5.644 13.018 -0.468 1.00 0.68 H new ATOM 997 N LEU A 154 -0.514 11.185 -1.839 1.00 0.53 N ATOM 998 CA LEU A 154 -0.261 9.719 -1.939 1.00 0.62 C ATOM 999 C LEU A 154 -0.217 9.292 -3.408 1.00 0.65 C ATOM 1000 O LEU A 154 0.489 8.376 -3.779 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.440 9.062 -1.220 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.993 8.593 0.165 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.091 7.524 0.016 1.00 1.65 C ATOM 1004 CD2 LEU A 154 -0.431 9.781 0.948 1.00 1.20 C ATOM 0 H LEU A 154 -1.270 11.454 -1.210 1.00 0.53 H new ATOM 0 HA LEU A 154 0.693 9.432 -1.497 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.264 9.770 -1.128 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.809 8.217 -1.801 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.846 8.175 0.700 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.410 7.189 1.003 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.307 6.677 -0.543 1.00 1.65 H new ATOM 0 HD13 LEU A 154 0.944 7.943 -0.518 1.00 1.65 H new ATOM 0 HD21 LEU A 154 -0.112 9.448 1.936 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.422 10.199 0.413 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -1.202 10.544 1.054 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.965 9.954 -4.249 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.964 9.590 -5.696 1.00 0.81 C ATOM 1018 C GLU A 155 0.291 10.145 -6.374 1.00 0.76 C ATOM 1019 O GLU A 155 0.682 9.703 -7.437 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.220 10.246 -6.270 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.225 9.163 -6.665 1.00 1.41 C ATOM 1022 CD GLU A 155 -3.628 8.364 -5.424 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.834 8.979 -4.390 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -3.725 7.153 -5.529 1.00 2.77 O ATOM 0 H GLU A 155 -1.576 10.731 -3.997 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.962 8.511 -5.854 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.662 10.916 -5.533 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.962 10.852 -7.138 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -4.105 9.617 -7.120 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -2.787 8.500 -7.411 1.00 1.41 H new ATOM 1031 N PHE A 156 0.925 11.109 -5.766 1.00 0.66 N ATOM 1032 CA PHE A 156 2.156 11.693 -6.372 1.00 0.77 C ATOM 1033 C PHE A 156 3.301 10.677 -6.318 1.00 0.71 C ATOM 1034 O PHE A 156 4.037 10.508 -7.269 1.00 0.88 O ATOM 1035 CB PHE A 156 2.475 12.915 -5.511 1.00 0.84 C ATOM 1036 CG PHE A 156 3.801 13.502 -5.932 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.895 14.244 -7.116 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.936 13.305 -5.138 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.125 14.790 -7.504 1.00 1.31 C ATOM 1040 CE2 PHE A 156 6.165 13.850 -5.525 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.260 14.592 -6.709 1.00 1.53 C ATOM 0 H PHE A 156 0.644 11.518 -4.875 1.00 0.66 H new ATOM 0 HA PHE A 156 2.020 11.959 -7.420 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.687 13.661 -5.615 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.509 12.632 -4.459 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.019 14.395 -7.730 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.863 12.732 -4.226 1.00 1.49 H new ATOM 0 HE1 PHE A 156 5.198 15.364 -8.416 1.00 1.31 H new ATOM 0 HE2 PHE A 156 7.040 13.699 -4.911 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.209 15.011 -7.009 1.00 1.53 H new ATOM 1051 N MET A 157 3.453 9.997 -5.213 1.00 0.61 N ATOM 1052 CA MET A 157 4.547 8.989 -5.102 1.00 0.69 C ATOM 1053 C MET A 157 4.095 7.658 -5.708 1.00 0.83 C ATOM 1054 O MET A 157 4.708 7.139 -6.619 1.00 1.17 O ATOM 1055 CB MET A 157 4.799 8.838 -3.601 1.00 0.84 C ATOM 1056 CG MET A 157 4.841 10.220 -2.946 1.00 0.92 C ATOM 1057 SD MET A 157 5.896 10.160 -1.475 1.00 1.56 S ATOM 1058 CE MET A 157 7.432 9.698 -2.314 1.00 0.90 C ATOM 0 H MET A 157 2.868 10.096 -4.383 1.00 0.61 H new ATOM 0 HA MET A 157 5.448 9.294 -5.635 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.012 8.234 -3.149 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.740 8.315 -3.431 1.00 0.84 H new ATOM 0 HG2 MET A 157 5.224 10.957 -3.652 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.834 10.535 -2.672 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.853 8.811 -1.840 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.224 9.485 -3.363 1.00 0.90 H new ATOM 0 HE3 MET A 157 8.145 10.519 -2.245 1.00 0.90 H new ATOM 1068 N LYS A 158 3.023 7.104 -5.209 1.00 0.86 N ATOM 1069 CA LYS A 158 2.524 5.809 -5.757 1.00 1.07 C ATOM 1070 C LYS A 158 3.567 4.706 -5.555 1.00 1.36 C ATOM 1071 O LYS A 158 3.484 3.646 -6.143 1.00 1.73 O ATOM 1072 CB LYS A 158 2.299 6.072 -7.247 1.00 1.28 C ATOM 1073 CG LYS A 158 1.479 4.930 -7.852 1.00 1.66 C ATOM 1074 CD LYS A 158 2.317 4.206 -8.908 1.00 2.24 C ATOM 1075 CE LYS A 158 1.713 4.445 -10.293 1.00 2.85 C ATOM 1076 NZ LYS A 158 2.160 3.283 -11.111 1.00 3.52 N ATOM 0 H LYS A 158 2.470 7.492 -4.445 1.00 0.86 H new ATOM 0 HA LYS A 158 1.614 5.474 -5.259 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.778 7.020 -7.385 1.00 1.28 H new ATOM 0 HB3 LYS A 158 3.257 6.157 -7.760 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.176 4.232 -7.071 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.566 5.321 -8.302 1.00 1.66 H new ATOM 0 HD2 LYS A 158 3.345 4.567 -8.881 1.00 2.24 H new ATOM 0 HD3 LYS A 158 2.348 3.138 -8.693 1.00 2.24 H new ATOM 0 HE2 LYS A 158 0.625 4.500 -10.246 1.00 2.85 H new ATOM 0 HE3 LYS A 158 2.062 5.386 -10.719 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 1.785 3.374 -12.077 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 3.199 3.260 -11.143 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 1.808 2.402 -10.685 1.00 3.52 H new