USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -87:sc= -0.0929 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.8!) 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 -163:sc= -5.99! (180deg=-6.95!) USER MOD Single : A 122 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -73:sc= 0.798 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 137 MET CE :methyl -177:sc= -7.62! (180deg=-7.75!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ -111:sc= -1.54! (180deg=-3.32!) USER MOD Single : A 143 ASN : amide:sc= -0.226 X(o=-0.23,f=-0.55) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 TYR OH : rot -114:sc= 0.288 USER MOD Single : A 157 MET CE :methyl -112:sc= -0.208 (180deg=-3.05!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 8.259 4.486 2.342 1.00 1.27 N ATOM 28 CA LYS A 92 7.706 3.102 2.397 1.00 1.47 C ATOM 29 C LYS A 92 6.190 3.151 2.619 1.00 1.40 C ATOM 30 O LYS A 92 5.423 3.283 1.686 1.00 1.56 O ATOM 31 CB LYS A 92 8.407 2.444 3.585 1.00 1.61 C ATOM 32 CG LYS A 92 9.813 2.006 3.170 1.00 1.94 C ATOM 33 CD LYS A 92 10.151 0.671 3.837 1.00 2.31 C ATOM 34 CE LYS A 92 10.353 -0.400 2.762 1.00 2.59 C ATOM 35 NZ LYS A 92 11.710 -0.954 3.022 1.00 3.20 N ATOM 0 HA LYS A 92 7.873 2.549 1.472 1.00 1.47 H new ATOM 0 HB2 LYS A 92 8.464 3.143 4.420 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.833 1.583 3.928 1.00 1.61 H new ATOM 0 HG2 LYS A 92 9.869 1.907 2.086 1.00 1.94 H new ATOM 0 HG3 LYS A 92 10.541 2.764 3.459 1.00 1.94 H new ATOM 0 HD2 LYS A 92 11.054 0.772 4.439 1.00 2.31 H new ATOM 0 HD3 LYS A 92 9.348 0.376 4.513 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.590 -1.176 2.829 1.00 2.59 H new ATOM 0 HE3 LYS A 92 10.286 0.027 1.761 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 11.922 -1.696 2.324 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 12.416 -0.194 2.945 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 11.742 -1.360 3.979 1.00 3.20 H new ATOM 49 N SER A 93 5.750 3.053 3.845 1.00 1.38 N ATOM 50 CA SER A 93 4.285 3.103 4.115 1.00 1.40 C ATOM 51 C SER A 93 3.874 4.526 4.498 1.00 1.20 C ATOM 52 O SER A 93 4.702 5.407 4.621 1.00 1.08 O ATOM 53 CB SER A 93 4.063 2.145 5.286 1.00 1.60 C ATOM 54 OG SER A 93 4.251 0.808 4.841 1.00 2.20 O ATOM 0 H SER A 93 6.341 2.941 4.669 1.00 1.38 H new ATOM 0 HA SER A 93 3.692 2.822 3.245 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.758 2.373 6.094 1.00 1.60 H new ATOM 0 HB3 SER A 93 3.057 2.269 5.687 1.00 1.60 H new ATOM 0 HG SER A 93 4.111 0.191 5.590 1.00 2.20 H new ATOM 60 N GLU A 94 2.606 4.762 4.688 1.00 1.26 N ATOM 61 CA GLU A 94 2.157 6.133 5.062 1.00 1.17 C ATOM 62 C GLU A 94 2.680 6.497 6.453 1.00 1.12 C ATOM 63 O GLU A 94 2.580 7.627 6.888 1.00 1.09 O ATOM 64 CB GLU A 94 0.631 6.071 5.058 1.00 1.33 C ATOM 65 CG GLU A 94 0.101 6.778 3.809 1.00 1.28 C ATOM 66 CD GLU A 94 -1.249 7.425 4.123 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.239 6.711 4.129 1.00 2.09 O ATOM 68 OE2 GLU A 94 -1.271 8.623 4.352 1.00 1.94 O ATOM 0 H GLU A 94 1.863 4.068 4.601 1.00 1.26 H new ATOM 0 HA GLU A 94 2.531 6.891 4.374 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.297 5.033 5.072 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.234 6.546 5.955 1.00 1.33 H new ATOM 0 HG2 GLU A 94 0.811 7.536 3.478 1.00 1.28 H new ATOM 0 HG3 GLU A 94 -0.007 6.064 2.992 1.00 1.28 H new ATOM 75 N GLU A 95 3.246 5.550 7.153 1.00 1.19 N ATOM 76 CA GLU A 95 3.781 5.850 8.511 1.00 1.23 C ATOM 77 C GLU A 95 4.828 6.963 8.416 1.00 1.03 C ATOM 78 O GLU A 95 4.722 7.986 9.063 1.00 1.01 O ATOM 79 CB GLU A 95 4.420 4.544 8.984 1.00 1.45 C ATOM 80 CG GLU A 95 5.278 4.814 10.222 1.00 1.90 C ATOM 81 CD GLU A 95 5.730 3.484 10.828 1.00 2.12 C ATOM 82 OE1 GLU A 95 4.931 2.563 10.849 1.00 2.66 O ATOM 83 OE2 GLU A 95 6.868 3.409 11.262 1.00 2.49 O ATOM 0 H GLU A 95 3.360 4.585 6.843 1.00 1.19 H new ATOM 0 HA GLU A 95 3.009 6.191 9.201 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.647 3.812 9.217 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.033 4.118 8.190 1.00 1.45 H new ATOM 0 HG2 GLU A 95 6.145 5.417 9.952 1.00 1.90 H new ATOM 0 HG3 GLU A 95 4.708 5.385 10.955 1.00 1.90 H new ATOM 90 N GLU A 96 5.831 6.774 7.604 1.00 1.02 N ATOM 91 CA GLU A 96 6.877 7.825 7.455 1.00 0.94 C ATOM 92 C GLU A 96 6.486 8.782 6.325 1.00 0.79 C ATOM 93 O GLU A 96 6.785 9.959 6.360 1.00 0.82 O ATOM 94 CB GLU A 96 8.156 7.068 7.097 1.00 1.15 C ATOM 95 CG GLU A 96 8.442 6.009 8.164 1.00 1.62 C ATOM 96 CD GLU A 96 9.400 4.959 7.598 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.590 5.223 7.574 1.00 2.78 O ATOM 98 OE2 GLU A 96 8.926 3.908 7.197 1.00 2.18 O ATOM 0 H GLU A 96 5.972 5.938 7.037 1.00 1.02 H new ATOM 0 HA GLU A 96 7.002 8.421 8.359 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.050 6.595 6.121 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.993 7.762 7.026 1.00 1.15 H new ATOM 0 HG2 GLU A 96 8.878 6.476 9.047 1.00 1.62 H new ATOM 0 HG3 GLU A 96 7.512 5.536 8.480 1.00 1.62 H new ATOM 105 N LEU A 97 5.814 8.279 5.325 1.00 0.77 N ATOM 106 CA LEU A 97 5.393 9.146 4.188 1.00 0.71 C ATOM 107 C LEU A 97 4.706 10.410 4.714 1.00 0.67 C ATOM 108 O LEU A 97 5.065 11.517 4.364 1.00 0.75 O ATOM 109 CB LEU A 97 4.405 8.289 3.394 1.00 0.80 C ATOM 110 CG LEU A 97 4.972 7.992 2.005 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.899 9.253 1.142 1.00 1.40 C ATOM 112 CD2 LEU A 97 6.430 7.542 2.132 1.00 1.22 C ATOM 0 H LEU A 97 5.537 7.300 5.247 1.00 0.77 H new ATOM 0 HA LEU A 97 6.235 9.474 3.579 1.00 0.71 H new ATOM 0 HB2 LEU A 97 4.211 7.357 3.924 1.00 0.80 H new ATOM 0 HB3 LEU A 97 3.451 8.808 3.303 1.00 0.80 H new ATOM 0 HG LEU A 97 4.388 7.199 1.538 1.00 0.77 H new ATOM 0 HD11 LEU A 97 5.303 9.040 0.152 1.00 1.40 H new ATOM 0 HD12 LEU A 97 3.860 9.571 1.049 1.00 1.40 H new ATOM 0 HD13 LEU A 97 5.481 10.048 1.609 1.00 1.40 H new ATOM 0 HD21 LEU A 97 6.833 7.331 1.142 1.00 1.22 H new ATOM 0 HD22 LEU A 97 7.015 8.333 2.601 1.00 1.22 H new ATOM 0 HD23 LEU A 97 6.481 6.642 2.744 1.00 1.22 H new ATOM 124 N SER A 98 3.718 10.252 5.552 1.00 0.69 N ATOM 125 CA SER A 98 3.004 11.441 6.101 1.00 0.76 C ATOM 126 C SER A 98 4.005 12.522 6.514 1.00 0.72 C ATOM 127 O SER A 98 3.967 13.636 6.030 1.00 0.77 O ATOM 128 CB SER A 98 2.249 10.918 7.322 1.00 0.92 C ATOM 129 OG SER A 98 3.185 10.463 8.292 1.00 1.57 O ATOM 0 H SER A 98 3.374 9.350 5.881 1.00 0.69 H new ATOM 0 HA SER A 98 2.336 11.894 5.368 1.00 0.76 H new ATOM 0 HB2 SER A 98 1.625 11.706 7.743 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.584 10.105 7.032 1.00 0.92 H new ATOM 0 HG SER A 98 3.414 9.527 8.112 1.00 1.57 H new ATOM 135 N ASP A 99 4.899 12.203 7.409 1.00 0.80 N ATOM 136 CA ASP A 99 5.901 13.213 7.858 1.00 0.86 C ATOM 137 C ASP A 99 6.693 13.749 6.662 1.00 0.81 C ATOM 138 O ASP A 99 7.144 14.877 6.660 1.00 0.91 O ATOM 139 CB ASP A 99 6.823 12.457 8.815 1.00 1.02 C ATOM 140 CG ASP A 99 6.286 12.572 10.243 1.00 1.23 C ATOM 141 OD1 ASP A 99 5.182 13.066 10.402 1.00 1.79 O ATOM 142 OD2 ASP A 99 6.989 12.164 11.153 1.00 1.83 O ATOM 0 H ASP A 99 4.980 11.287 7.849 1.00 0.80 H new ATOM 0 HA ASP A 99 5.431 14.073 8.335 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.886 11.409 8.523 1.00 1.02 H new ATOM 0 HB3 ASP A 99 7.833 12.865 8.761 1.00 1.02 H new ATOM 147 N LEU A 100 6.871 12.948 5.646 1.00 0.75 N ATOM 148 CA LEU A 100 7.640 13.413 4.455 1.00 0.76 C ATOM 149 C LEU A 100 6.832 14.445 3.662 1.00 0.68 C ATOM 150 O LEU A 100 7.376 15.220 2.901 1.00 0.79 O ATOM 151 CB LEU A 100 7.870 12.154 3.618 1.00 0.86 C ATOM 152 CG LEU A 100 9.211 12.260 2.891 1.00 0.79 C ATOM 153 CD1 LEU A 100 10.269 11.457 3.651 1.00 1.41 C ATOM 154 CD2 LEU A 100 9.067 11.699 1.475 1.00 1.41 C ATOM 0 H LEU A 100 6.518 11.993 5.589 1.00 0.75 H new ATOM 0 HA LEU A 100 8.576 13.897 4.735 1.00 0.76 H new ATOM 0 HB2 LEU A 100 7.861 11.272 4.259 1.00 0.86 H new ATOM 0 HB3 LEU A 100 7.062 12.032 2.896 1.00 0.86 H new ATOM 0 HG LEU A 100 9.515 13.305 2.840 1.00 0.79 H new ATOM 0 HD11 LEU A 100 11.225 11.533 3.133 1.00 1.41 H new ATOM 0 HD12 LEU A 100 10.371 11.854 4.661 1.00 1.41 H new ATOM 0 HD13 LEU A 100 9.965 10.411 3.702 1.00 1.41 H new ATOM 0 HD21 LEU A 100 10.022 11.774 0.955 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.763 10.654 1.527 1.00 1.41 H new ATOM 0 HD23 LEU A 100 8.313 12.269 0.933 1.00 1.41 H new ATOM 166 N PHE A 101 5.538 14.459 3.831 1.00 0.60 N ATOM 167 CA PHE A 101 4.699 15.440 3.082 1.00 0.59 C ATOM 168 C PHE A 101 5.010 16.868 3.542 1.00 0.60 C ATOM 169 O PHE A 101 5.510 17.677 2.786 1.00 0.72 O ATOM 170 CB PHE A 101 3.255 15.068 3.424 1.00 0.61 C ATOM 171 CG PHE A 101 2.315 16.065 2.791 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.944 15.924 1.448 1.00 0.68 C ATOM 173 CD2 PHE A 101 1.813 17.131 3.547 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.072 16.849 0.861 1.00 0.73 C ATOM 175 CE2 PHE A 101 0.941 18.056 2.961 1.00 0.90 C ATOM 176 CZ PHE A 101 0.571 17.915 1.618 1.00 0.69 C ATOM 0 H PHE A 101 5.025 13.835 4.454 1.00 0.60 H new ATOM 0 HA PHE A 101 4.886 15.407 2.009 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.032 14.063 3.065 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.117 15.058 4.505 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.331 15.101 0.865 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.099 17.240 4.583 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.786 16.740 -0.175 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.554 18.878 3.545 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.101 18.629 1.166 1.00 0.69 H new ATOM 186 N ARG A 102 4.718 17.183 4.774 1.00 0.67 N ATOM 187 CA ARG A 102 4.997 18.560 5.279 1.00 0.76 C ATOM 188 C ARG A 102 6.496 18.863 5.194 1.00 0.68 C ATOM 189 O ARG A 102 6.919 19.993 5.338 1.00 0.78 O ATOM 190 CB ARG A 102 4.534 18.549 6.737 1.00 0.99 C ATOM 191 CG ARG A 102 5.521 17.738 7.579 1.00 1.30 C ATOM 192 CD ARG A 102 4.793 17.135 8.782 1.00 1.45 C ATOM 193 NE ARG A 102 5.140 18.024 9.925 1.00 2.12 N ATOM 194 CZ ARG A 102 4.645 17.791 11.111 1.00 2.71 C ATOM 195 NH1 ARG A 102 3.842 16.779 11.301 1.00 3.07 N ATOM 196 NH2 ARG A 102 4.955 18.573 12.109 1.00 3.37 N ATOM 0 H ARG A 102 4.299 16.548 5.453 1.00 0.67 H new ATOM 0 HA ARG A 102 4.486 19.325 4.694 1.00 0.76 H new ATOM 0 HB2 ARG A 102 4.468 19.569 7.116 1.00 0.99 H new ATOM 0 HB3 ARG A 102 3.536 18.116 6.810 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.965 16.946 6.975 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.337 18.377 7.917 1.00 1.30 H new ATOM 0 HD2 ARG A 102 3.716 17.105 8.618 1.00 1.45 H new ATOM 0 HD3 ARG A 102 5.116 16.110 8.966 1.00 1.45 H new ATOM 0 HE ARG A 102 5.766 18.817 9.781 1.00 2.12 H new ATOM 0 HH11 ARG A 102 3.599 16.167 10.522 1.00 3.07 H new ATOM 0 HH12 ARG A 102 3.457 16.600 12.229 1.00 3.07 H new ATOM 0 HH21 ARG A 102 5.582 19.364 11.962 1.00 3.37 H new ATOM 0 HH22 ARG A 102 4.570 18.393 13.036 1.00 3.37 H new ATOM 210 N MET A 103 7.302 17.863 4.963 1.00 0.71 N ATOM 211 CA MET A 103 8.771 18.096 4.872 1.00 0.75 C ATOM 212 C MET A 103 9.101 18.929 3.631 1.00 0.68 C ATOM 213 O MET A 103 9.672 19.998 3.723 1.00 0.83 O ATOM 214 CB MET A 103 9.387 16.700 4.763 1.00 0.93 C ATOM 215 CG MET A 103 10.455 16.530 5.845 1.00 1.27 C ATOM 216 SD MET A 103 11.109 14.843 5.787 1.00 1.82 S ATOM 217 CE MET A 103 12.853 15.271 6.013 1.00 2.43 C ATOM 0 H MET A 103 7.007 16.895 4.833 1.00 0.71 H new ATOM 0 HA MET A 103 9.156 18.645 5.731 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.614 15.940 4.877 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.828 16.561 3.776 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.260 17.249 5.693 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.028 16.733 6.827 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.454 14.362 6.009 1.00 2.43 H new ATOM 0 HE2 MET A 103 13.176 15.923 5.201 1.00 2.43 H new ATOM 0 HE3 MET A 103 12.981 15.786 6.965 1.00 2.43 H new ATOM 227 N PHE A 104 8.746 18.450 2.470 1.00 0.68 N ATOM 228 CA PHE A 104 9.041 19.218 1.225 1.00 0.79 C ATOM 229 C PHE A 104 8.286 20.550 1.235 1.00 0.71 C ATOM 230 O PHE A 104 8.657 21.490 0.561 1.00 0.88 O ATOM 231 CB PHE A 104 8.547 18.329 0.083 1.00 0.94 C ATOM 232 CG PHE A 104 9.241 16.990 0.154 1.00 1.31 C ATOM 233 CD1 PHE A 104 10.563 16.909 0.609 1.00 1.26 C ATOM 234 CD2 PHE A 104 8.563 15.829 -0.236 1.00 2.03 C ATOM 235 CE1 PHE A 104 11.206 15.667 0.674 1.00 1.86 C ATOM 236 CE2 PHE A 104 9.207 14.587 -0.171 1.00 2.65 C ATOM 237 CZ PHE A 104 10.528 14.506 0.284 1.00 2.56 C ATOM 0 H PHE A 104 8.265 17.562 2.329 1.00 0.68 H new ATOM 0 HA PHE A 104 10.101 19.454 1.127 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.467 18.196 0.152 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.749 18.805 -0.877 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.086 17.805 0.910 1.00 1.26 H new ATOM 0 HD2 PHE A 104 7.543 15.891 -0.587 1.00 2.03 H new ATOM 0 HE1 PHE A 104 12.225 15.605 1.025 1.00 1.86 H new ATOM 0 HE2 PHE A 104 8.684 13.691 -0.472 1.00 2.65 H new ATOM 0 HZ PHE A 104 11.024 13.548 0.334 1.00 2.56 H new ATOM 247 N ASP A 105 7.229 20.638 1.995 1.00 0.61 N ATOM 248 CA ASP A 105 6.452 21.910 2.047 1.00 0.60 C ATOM 249 C ASP A 105 7.213 22.962 2.859 1.00 0.56 C ATOM 250 O ASP A 105 7.196 22.954 4.074 1.00 0.63 O ATOM 251 CB ASP A 105 5.139 21.545 2.740 1.00 0.68 C ATOM 252 CG ASP A 105 4.309 22.810 2.961 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.127 23.550 2.008 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.868 23.018 4.079 1.00 1.45 O ATOM 0 H ASP A 105 6.870 19.885 2.582 1.00 0.61 H new ATOM 0 HA ASP A 105 6.286 22.333 1.056 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.581 20.833 2.132 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.342 21.059 3.694 1.00 0.68 H new ATOM 259 N LYS A 106 7.882 23.866 2.198 1.00 0.59 N ATOM 260 CA LYS A 106 8.644 24.916 2.932 1.00 0.66 C ATOM 261 C LYS A 106 7.722 26.079 3.308 1.00 0.55 C ATOM 262 O LYS A 106 8.046 26.894 4.148 1.00 0.63 O ATOM 263 CB LYS A 106 9.721 25.382 1.952 1.00 0.87 C ATOM 264 CG LYS A 106 11.096 25.259 2.608 1.00 1.21 C ATOM 265 CD LYS A 106 12.093 26.158 1.876 1.00 1.61 C ATOM 266 CE LYS A 106 12.934 26.926 2.897 1.00 1.77 C ATOM 267 NZ LYS A 106 14.129 26.069 3.133 1.00 2.14 N ATOM 0 H LYS A 106 7.934 23.923 1.181 1.00 0.59 H new ATOM 0 HA LYS A 106 9.072 24.539 3.861 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.685 24.781 1.043 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.538 26.416 1.658 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.036 25.544 3.658 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.434 24.223 2.578 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.739 25.557 1.236 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.562 26.856 1.228 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.220 27.906 2.516 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.379 27.093 3.820 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.755 26.529 3.824 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.826 25.145 3.502 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.641 25.933 2.238 1.00 2.14 H new ATOM 281 N ASN A 107 6.574 26.162 2.692 1.00 0.48 N ATOM 282 CA ASN A 107 5.635 27.273 3.017 1.00 0.50 C ATOM 283 C ASN A 107 4.888 26.970 4.318 1.00 0.58 C ATOM 284 O ASN A 107 4.249 27.829 4.894 1.00 0.70 O ATOM 285 CB ASN A 107 4.661 27.328 1.839 1.00 0.54 C ATOM 286 CG ASN A 107 3.678 28.480 2.045 1.00 0.70 C ATOM 287 OD1 ASN A 107 3.814 29.251 2.974 1.00 1.00 O ATOM 288 ND2 ASN A 107 2.685 28.632 1.212 1.00 0.78 N ATOM 0 H ASN A 107 6.246 25.510 1.979 1.00 0.48 H new ATOM 0 HA ASN A 107 6.152 28.221 3.161 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.209 27.465 0.907 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.121 26.385 1.756 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.024 29.398 1.341 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.570 27.985 0.432 1.00 0.78 H new ATOM 295 N ALA A 108 4.964 25.755 4.787 1.00 0.65 N ATOM 296 CA ALA A 108 4.259 25.397 6.052 1.00 0.84 C ATOM 297 C ALA A 108 2.816 25.909 6.019 1.00 0.78 C ATOM 298 O ALA A 108 2.415 26.714 6.836 1.00 0.96 O ATOM 299 CB ALA A 108 5.050 26.095 7.158 1.00 1.03 C ATOM 0 H ALA A 108 5.484 24.994 4.350 1.00 0.65 H new ATOM 0 HA ALA A 108 4.209 24.319 6.205 1.00 0.84 H new ATOM 0 HB1 ALA A 108 4.593 25.880 8.124 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.078 25.732 7.154 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.044 27.171 6.986 1.00 1.03 H new ATOM 305 N ASP A 109 2.033 25.448 5.082 1.00 0.73 N ATOM 306 CA ASP A 109 0.617 25.909 5.000 1.00 0.74 C ATOM 307 C ASP A 109 -0.334 24.711 5.053 1.00 0.78 C ATOM 308 O ASP A 109 -1.532 24.863 5.191 1.00 0.96 O ATOM 309 CB ASP A 109 0.510 26.622 3.652 1.00 0.72 C ATOM 310 CG ASP A 109 0.662 25.603 2.523 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.355 24.620 2.729 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.084 25.822 1.471 1.00 1.95 O ATOM 0 H ASP A 109 2.312 24.773 4.370 1.00 0.73 H new ATOM 0 HA ASP A 109 0.347 26.563 5.829 1.00 0.74 H new ATOM 0 HB2 ASP A 109 -0.452 27.129 3.572 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.281 27.388 3.571 1.00 0.72 H new ATOM 317 N GLY A 110 0.189 23.519 4.946 1.00 0.76 N ATOM 318 CA GLY A 110 -0.687 22.314 4.992 1.00 0.85 C ATOM 319 C GLY A 110 -0.775 21.686 3.600 1.00 0.70 C ATOM 320 O GLY A 110 -1.348 20.630 3.421 1.00 0.73 O ATOM 0 H GLY A 110 1.184 23.328 4.829 1.00 0.76 H new ATOM 0 HA2 GLY A 110 -0.289 21.590 5.703 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.682 22.589 5.341 1.00 0.85 H new ATOM 324 N TYR A 111 -0.213 22.325 2.611 1.00 0.68 N ATOM 325 CA TYR A 111 -0.269 21.759 1.233 1.00 0.60 C ATOM 326 C TYR A 111 1.031 22.063 0.482 1.00 0.58 C ATOM 327 O TYR A 111 1.947 22.653 1.020 1.00 0.83 O ATOM 328 CB TYR A 111 -1.452 22.462 0.565 1.00 0.68 C ATOM 329 CG TYR A 111 -2.711 22.197 1.355 1.00 0.68 C ATOM 330 CD1 TYR A 111 -3.060 23.037 2.419 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.531 21.112 1.023 1.00 0.78 C ATOM 332 CE1 TYR A 111 -4.228 22.792 3.151 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.699 20.867 1.754 1.00 0.83 C ATOM 334 CZ TYR A 111 -5.048 21.707 2.819 1.00 0.80 C ATOM 335 OH TYR A 111 -6.199 21.466 3.540 1.00 0.90 O ATOM 0 H TYR A 111 0.282 23.213 2.697 1.00 0.68 H new ATOM 0 HA TYR A 111 -0.387 20.675 1.236 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -1.266 23.534 0.508 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.570 22.104 -0.458 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -2.428 23.874 2.675 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -3.262 20.464 0.202 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -4.496 23.440 3.972 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -5.331 20.030 1.497 1.00 0.83 H new ATOM 0 HH TYR A 111 -6.652 20.676 3.178 1.00 0.90 H new ATOM 345 N ILE A 112 1.117 21.667 -0.759 1.00 0.50 N ATOM 346 CA ILE A 112 2.356 21.935 -1.545 1.00 0.50 C ATOM 347 C ILE A 112 2.025 22.776 -2.781 1.00 0.49 C ATOM 348 O ILE A 112 1.048 22.537 -3.462 1.00 0.66 O ATOM 349 CB ILE A 112 2.874 20.557 -1.956 1.00 0.50 C ATOM 350 CG1 ILE A 112 2.925 19.646 -0.727 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.278 20.694 -2.546 1.00 0.58 C ATOM 352 CD1 ILE A 112 3.419 18.258 -1.140 1.00 0.66 C ATOM 0 H ILE A 112 0.383 21.169 -1.263 1.00 0.50 H new ATOM 0 HA ILE A 112 3.097 22.492 -0.971 1.00 0.50 H new ATOM 0 HB ILE A 112 2.207 20.126 -2.703 1.00 0.50 H new ATOM 0 HG12 ILE A 112 3.589 20.071 0.026 1.00 0.62 H new ATOM 0 HG13 ILE A 112 1.936 19.572 -0.275 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.647 19.711 -2.839 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.243 21.344 -3.420 1.00 0.58 H new ATOM 0 HG23 ILE A 112 4.946 21.125 -1.800 1.00 0.58 H new ATOM 0 HD11 ILE A 112 3.455 17.609 -0.265 1.00 0.66 H new ATOM 0 HD12 ILE A 112 2.738 17.834 -1.878 1.00 0.66 H new ATOM 0 HD13 ILE A 112 4.416 18.340 -1.572 1.00 0.66 H new ATOM 364 N ASP A 113 2.830 23.760 -3.073 1.00 0.47 N ATOM 365 CA ASP A 113 2.558 24.617 -4.264 1.00 0.50 C ATOM 366 C ASP A 113 3.525 24.269 -5.399 1.00 0.50 C ATOM 367 O ASP A 113 4.438 23.486 -5.232 1.00 0.57 O ATOM 368 CB ASP A 113 2.791 26.049 -3.783 1.00 0.60 C ATOM 369 CG ASP A 113 1.792 26.985 -4.465 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.025 26.505 -5.283 1.00 1.77 O ATOM 371 OD2 ASP A 113 1.813 28.166 -4.159 1.00 1.85 O ATOM 0 H ASP A 113 3.663 24.008 -2.540 1.00 0.47 H new ATOM 0 HA ASP A 113 1.549 24.476 -4.652 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.676 26.104 -2.700 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.811 26.359 -4.011 1.00 0.60 H new ATOM 376 N LEU A 114 3.332 24.848 -6.552 1.00 0.52 N ATOM 377 CA LEU A 114 4.241 24.552 -7.696 1.00 0.57 C ATOM 378 C LEU A 114 5.644 25.092 -7.408 1.00 0.63 C ATOM 379 O LEU A 114 6.626 24.607 -7.934 1.00 0.80 O ATOM 380 CB LEU A 114 3.619 25.274 -8.891 1.00 0.62 C ATOM 381 CG LEU A 114 2.560 24.377 -9.533 1.00 0.61 C ATOM 382 CD1 LEU A 114 1.263 25.167 -9.718 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.062 23.894 -10.895 1.00 0.81 C ATOM 0 H LEU A 114 2.585 25.513 -6.752 1.00 0.52 H new ATOM 0 HA LEU A 114 4.346 23.482 -7.877 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.169 26.213 -8.568 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.390 25.524 -9.620 1.00 0.62 H new ATOM 0 HG LEU A 114 2.371 23.519 -8.888 1.00 0.61 H new ATOM 0 HD11 LEU A 114 0.509 24.527 -10.176 1.00 0.91 H new ATOM 0 HD12 LEU A 114 0.906 25.512 -8.748 1.00 0.91 H new ATOM 0 HD13 LEU A 114 1.449 26.026 -10.363 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.309 23.254 -11.355 1.00 0.81 H new ATOM 0 HD22 LEU A 114 3.250 24.753 -11.539 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.985 23.330 -10.763 1.00 0.81 H new ATOM 395 N ASP A 115 5.746 26.090 -6.573 1.00 0.61 N ATOM 396 CA ASP A 115 7.086 26.657 -6.249 1.00 0.71 C ATOM 397 C ASP A 115 7.746 25.840 -5.134 1.00 0.65 C ATOM 398 O ASP A 115 8.952 25.707 -5.079 1.00 0.89 O ATOM 399 CB ASP A 115 6.810 28.085 -5.778 1.00 0.80 C ATOM 400 CG ASP A 115 7.724 29.055 -6.528 1.00 1.17 C ATOM 401 OD1 ASP A 115 8.930 28.929 -6.390 1.00 1.76 O ATOM 402 OD2 ASP A 115 7.204 29.908 -7.228 1.00 1.76 O ATOM 0 H ASP A 115 4.960 26.537 -6.101 1.00 0.61 H new ATOM 0 HA ASP A 115 7.763 26.636 -7.103 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.766 28.342 -5.955 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.980 28.165 -4.704 1.00 0.80 H new ATOM 407 N GLU A 116 6.961 25.291 -4.248 1.00 0.51 N ATOM 408 CA GLU A 116 7.540 24.479 -3.139 1.00 0.48 C ATOM 409 C GLU A 116 7.829 23.055 -3.625 1.00 0.49 C ATOM 410 O GLU A 116 8.408 22.253 -2.920 1.00 0.63 O ATOM 411 CB GLU A 116 6.462 24.467 -2.052 1.00 0.48 C ATOM 412 CG GLU A 116 5.992 25.898 -1.781 1.00 0.57 C ATOM 413 CD GLU A 116 4.864 25.880 -0.748 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.966 25.115 0.198 1.00 1.19 O ATOM 415 OE2 GLU A 116 3.918 26.631 -0.919 1.00 1.36 O ATOM 0 H GLU A 116 5.944 25.369 -4.244 1.00 0.51 H new ATOM 0 HA GLU A 116 8.482 24.888 -2.773 1.00 0.48 H new ATOM 0 HB2 GLU A 116 5.620 23.850 -2.367 1.00 0.48 H new ATOM 0 HB3 GLU A 116 6.857 24.024 -1.138 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.823 26.502 -1.416 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.645 26.359 -2.706 1.00 0.57 H new ATOM 422 N LEU A 117 7.425 22.736 -4.825 1.00 0.48 N ATOM 423 CA LEU A 117 7.670 21.364 -5.360 1.00 0.52 C ATOM 424 C LEU A 117 9.083 21.257 -5.942 1.00 0.58 C ATOM 425 O LEU A 117 9.673 20.195 -5.969 1.00 0.69 O ATOM 426 CB LEU A 117 6.628 21.180 -6.464 1.00 0.55 C ATOM 427 CG LEU A 117 5.309 20.703 -5.855 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.253 20.585 -6.955 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.514 19.336 -5.199 1.00 0.53 C ATOM 0 H LEU A 117 6.935 23.367 -5.459 1.00 0.48 H new ATOM 0 HA LEU A 117 7.590 20.603 -4.584 1.00 0.52 H new ATOM 0 HB2 LEU A 117 6.476 22.120 -6.994 1.00 0.55 H new ATOM 0 HB3 LEU A 117 6.984 20.456 -7.196 1.00 0.55 H new ATOM 0 HG LEU A 117 4.976 21.420 -5.105 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.312 20.245 -6.522 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.106 21.558 -7.424 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.587 19.868 -7.705 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.574 18.996 -4.765 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.848 18.619 -5.949 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.267 19.418 -4.415 1.00 0.53 H new ATOM 441 N LYS A 118 9.626 22.344 -6.417 1.00 0.59 N ATOM 442 CA LYS A 118 10.996 22.296 -7.005 1.00 0.69 C ATOM 443 C LYS A 118 12.050 22.628 -5.945 1.00 0.64 C ATOM 444 O LYS A 118 13.184 22.200 -6.030 1.00 0.73 O ATOM 445 CB LYS A 118 10.992 23.357 -8.108 1.00 0.83 C ATOM 446 CG LYS A 118 10.902 24.752 -7.484 1.00 0.99 C ATOM 447 CD LYS A 118 11.361 25.796 -8.503 1.00 1.35 C ATOM 448 CE LYS A 118 10.167 26.649 -8.936 1.00 1.51 C ATOM 449 NZ LYS A 118 10.632 27.368 -10.155 1.00 1.99 N ATOM 0 H LYS A 118 9.182 23.262 -6.424 1.00 0.59 H new ATOM 0 HA LYS A 118 11.241 21.306 -7.389 1.00 0.69 H new ATOM 0 HB2 LYS A 118 11.898 23.275 -8.708 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.149 23.194 -8.780 1.00 0.83 H new ATOM 0 HG2 LYS A 118 9.878 24.958 -7.173 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.523 24.803 -6.590 1.00 0.99 H new ATOM 0 HD2 LYS A 118 12.134 26.429 -8.067 1.00 1.35 H new ATOM 0 HD3 LYS A 118 11.803 25.304 -9.369 1.00 1.35 H new ATOM 0 HE2 LYS A 118 9.296 26.030 -9.151 1.00 1.51 H new ATOM 0 HE3 LYS A 118 9.876 27.348 -8.152 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 9.867 27.975 -10.513 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 11.458 27.954 -9.918 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 10.896 26.677 -10.886 1.00 1.99 H new ATOM 463 N ILE A 119 11.691 23.392 -4.950 1.00 0.68 N ATOM 464 CA ILE A 119 12.681 23.751 -3.895 1.00 0.74 C ATOM 465 C ILE A 119 13.033 22.520 -3.055 1.00 0.75 C ATOM 466 O ILE A 119 14.170 22.322 -2.677 1.00 0.85 O ATOM 467 CB ILE A 119 11.985 24.807 -3.037 1.00 0.98 C ATOM 468 CG1 ILE A 119 11.878 26.117 -3.825 1.00 1.22 C ATOM 469 CG2 ILE A 119 12.797 25.045 -1.764 1.00 1.08 C ATOM 470 CD1 ILE A 119 10.713 26.947 -3.281 1.00 1.06 C ATOM 0 H ILE A 119 10.757 23.782 -4.822 1.00 0.68 H new ATOM 0 HA ILE A 119 13.615 24.122 -4.317 1.00 0.74 H new ATOM 0 HB ILE A 119 10.986 24.459 -2.773 1.00 0.98 H new ATOM 0 HG12 ILE A 119 12.808 26.679 -3.744 1.00 1.22 H new ATOM 0 HG13 ILE A 119 11.725 25.906 -4.883 1.00 1.22 H new ATOM 0 HG21 ILE A 119 12.301 25.798 -1.152 1.00 1.08 H new ATOM 0 HG22 ILE A 119 12.874 24.114 -1.202 1.00 1.08 H new ATOM 0 HG23 ILE A 119 13.795 25.393 -2.029 1.00 1.08 H new ATOM 0 HD11 ILE A 119 10.637 27.879 -3.842 1.00 1.06 H new ATOM 0 HD12 ILE A 119 9.785 26.384 -3.385 1.00 1.06 H new ATOM 0 HD13 ILE A 119 10.886 27.170 -2.228 1.00 1.06 H new ATOM 482 N MET A 120 12.069 21.692 -2.760 1.00 0.85 N ATOM 483 CA MET A 120 12.356 20.477 -1.945 1.00 1.01 C ATOM 484 C MET A 120 13.100 19.440 -2.790 1.00 0.95 C ATOM 485 O MET A 120 13.766 18.564 -2.273 1.00 1.11 O ATOM 486 CB MET A 120 10.984 19.943 -1.528 1.00 1.17 C ATOM 487 CG MET A 120 10.295 19.305 -2.736 1.00 1.52 C ATOM 488 SD MET A 120 10.657 17.531 -2.767 1.00 1.88 S ATOM 489 CE MET A 120 8.953 16.955 -2.964 1.00 1.43 C ATOM 0 H MET A 120 11.097 21.803 -3.047 1.00 0.85 H new ATOM 0 HA MET A 120 12.985 20.698 -1.083 1.00 1.01 H new ATOM 0 HB2 MET A 120 11.095 19.209 -0.730 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.371 20.753 -1.133 1.00 1.17 H new ATOM 0 HG2 MET A 120 9.218 19.467 -2.682 1.00 1.52 H new ATOM 0 HG3 MET A 120 10.642 19.774 -3.656 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.895 15.897 -2.708 1.00 1.43 H new ATOM 0 HE2 MET A 120 8.298 17.524 -2.305 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.638 17.096 -3.998 1.00 1.43 H new ATOM 499 N LEU A 121 12.992 19.532 -4.087 1.00 0.87 N ATOM 500 CA LEU A 121 13.691 18.553 -4.967 1.00 0.95 C ATOM 501 C LEU A 121 15.165 18.937 -5.125 1.00 0.87 C ATOM 502 O LEU A 121 15.997 18.117 -5.458 1.00 0.97 O ATOM 503 CB LEU A 121 12.967 18.646 -6.311 1.00 1.09 C ATOM 504 CG LEU A 121 12.370 17.284 -6.667 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.205 16.972 -5.726 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.863 17.314 -8.111 1.00 1.80 C ATOM 0 H LEU A 121 12.449 20.244 -4.576 1.00 0.87 H new ATOM 0 HA LEU A 121 13.670 17.543 -4.559 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.179 19.398 -6.260 1.00 1.09 H new ATOM 0 HB3 LEU A 121 13.661 18.964 -7.088 1.00 1.09 H new ATOM 0 HG LEU A 121 13.135 16.515 -6.563 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.781 16.001 -5.981 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.564 16.952 -4.697 1.00 2.03 H new ATOM 0 HD13 LEU A 121 10.439 17.741 -5.828 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.437 16.344 -8.367 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.099 18.084 -8.212 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.692 17.535 -8.783 1.00 1.80 H new ATOM 518 N GLN A 122 15.494 20.179 -4.893 1.00 0.82 N ATOM 519 CA GLN A 122 16.915 20.611 -5.034 1.00 0.95 C ATOM 520 C GLN A 122 17.817 19.761 -4.137 1.00 1.04 C ATOM 521 O GLN A 122 19.014 19.688 -4.334 1.00 1.19 O ATOM 522 CB GLN A 122 16.935 22.073 -4.588 1.00 1.14 C ATOM 523 CG GLN A 122 17.132 22.974 -5.808 1.00 1.42 C ATOM 524 CD GLN A 122 16.862 24.429 -5.419 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.986 24.792 -4.172 1.00 2.44 O flip ATOM 526 NE2 GLN A 122 16.535 25.244 -6.259 1.00 2.28 N flip ATOM 0 H GLN A 122 14.842 20.912 -4.613 1.00 0.82 H new ATOM 0 HA GLN A 122 17.282 20.494 -6.054 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.002 22.324 -4.084 1.00 1.14 H new ATOM 0 HB3 GLN A 122 17.739 22.234 -3.869 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.148 22.871 -6.189 1.00 1.42 H new ATOM 0 HG3 GLN A 122 16.459 22.670 -6.610 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.438 24.961 -7.234 1.00 2.28 H new ATOM 0 HE22 GLN A 122 16.358 26.211 -5.989 1.00 2.28 H new ATOM 535 N ALA A 123 17.253 19.116 -3.153 1.00 1.09 N ATOM 536 CA ALA A 123 18.080 18.269 -2.246 1.00 1.33 C ATOM 537 C ALA A 123 18.987 17.353 -3.071 1.00 1.38 C ATOM 538 O ALA A 123 20.132 17.128 -2.734 1.00 1.62 O ATOM 539 CB ALA A 123 17.073 17.445 -1.442 1.00 1.45 C ATOM 0 H ALA A 123 16.256 19.138 -2.937 1.00 1.09 H new ATOM 0 HA ALA A 123 18.726 18.862 -1.599 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.606 16.794 -0.749 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.420 18.114 -0.882 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.474 16.839 -2.121 1.00 1.45 H new ATOM 545 N THR A 124 18.483 16.826 -4.154 1.00 1.29 N ATOM 546 CA THR A 124 19.315 15.930 -5.006 1.00 1.47 C ATOM 547 C THR A 124 19.966 16.736 -6.131 1.00 1.44 C ATOM 548 O THR A 124 20.837 16.257 -6.830 1.00 1.72 O ATOM 549 CB THR A 124 18.335 14.903 -5.577 1.00 1.56 C ATOM 550 OG1 THR A 124 19.053 13.929 -6.322 1.00 2.16 O ATOM 551 CG2 THR A 124 17.330 15.608 -6.490 1.00 1.92 C ATOM 0 H THR A 124 17.530 16.978 -4.485 1.00 1.29 H new ATOM 0 HA THR A 124 20.120 15.454 -4.447 1.00 1.47 H new ATOM 0 HB THR A 124 17.802 14.416 -4.761 1.00 1.56 H new ATOM 0 HG1 THR A 124 18.427 13.269 -6.687 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.632 14.876 -6.897 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.780 16.355 -5.918 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.861 16.096 -7.307 1.00 1.92 H new ATOM 559 N GLY A 125 19.547 17.959 -6.311 1.00 1.26 N ATOM 560 CA GLY A 125 20.139 18.800 -7.390 1.00 1.32 C ATOM 561 C GLY A 125 19.175 18.863 -8.576 1.00 1.26 C ATOM 562 O GLY A 125 19.585 18.939 -9.717 1.00 1.63 O ATOM 0 H GLY A 125 18.820 18.412 -5.757 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.337 19.804 -7.015 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.095 18.383 -7.707 1.00 1.32 H new ATOM 566 N GLU A 126 17.896 18.831 -8.318 1.00 1.02 N ATOM 567 CA GLU A 126 16.911 18.889 -9.435 1.00 1.08 C ATOM 568 C GLU A 126 17.270 20.026 -10.396 1.00 0.89 C ATOM 569 O GLU A 126 16.857 21.155 -10.221 1.00 0.87 O ATOM 570 CB GLU A 126 15.560 19.154 -8.766 1.00 1.34 C ATOM 571 CG GLU A 126 15.578 20.529 -8.093 1.00 1.45 C ATOM 572 CD GLU A 126 14.609 21.465 -8.817 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.418 21.205 -8.768 1.00 2.16 O ATOM 574 OE2 GLU A 126 15.073 22.426 -9.406 1.00 2.09 O ATOM 0 H GLU A 126 17.491 18.767 -7.384 1.00 1.02 H new ATOM 0 HA GLU A 126 16.898 17.970 -10.021 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.762 19.112 -9.507 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.351 18.380 -8.028 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.295 20.436 -7.044 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.586 20.943 -8.116 1.00 1.45 H new ATOM 581 N THR A 127 18.033 19.737 -11.414 1.00 1.09 N ATOM 582 CA THR A 127 18.409 20.804 -12.382 1.00 1.21 C ATOM 583 C THR A 127 17.698 20.565 -13.713 1.00 1.29 C ATOM 584 O THR A 127 18.174 19.841 -14.565 1.00 1.60 O ATOM 585 CB THR A 127 19.924 20.674 -12.547 1.00 1.57 C ATOM 586 OG1 THR A 127 20.300 19.314 -12.381 1.00 1.91 O ATOM 587 CG2 THR A 127 20.630 21.533 -11.496 1.00 2.18 C ATOM 0 H THR A 127 18.411 18.811 -11.616 1.00 1.09 H new ATOM 0 HA THR A 127 18.126 21.800 -12.040 1.00 1.21 H new ATOM 0 HB THR A 127 20.213 21.013 -13.542 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.240 19.071 -11.433 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.709 21.439 -11.615 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.340 22.576 -11.624 1.00 2.18 H new ATOM 0 HG23 THR A 127 20.344 21.197 -10.499 1.00 2.18 H new ATOM 595 N ILE A 128 16.559 21.169 -13.895 1.00 1.08 N ATOM 596 CA ILE A 128 15.808 20.979 -15.165 1.00 1.20 C ATOM 597 C ILE A 128 15.249 22.319 -15.648 1.00 1.18 C ATOM 598 O ILE A 128 15.278 23.305 -14.939 1.00 1.15 O ATOM 599 CB ILE A 128 14.678 20.017 -14.806 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.839 20.619 -13.677 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.270 18.683 -14.346 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.856 19.571 -13.153 1.00 2.03 C ATOM 0 H ILE A 128 16.114 21.788 -13.217 1.00 1.08 H new ATOM 0 HA ILE A 128 16.433 20.591 -15.969 1.00 1.20 H new ATOM 0 HB ILE A 128 14.048 19.852 -15.680 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.488 20.959 -12.870 1.00 1.32 H new ATOM 0 HG13 ILE A 128 13.296 21.492 -14.039 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.463 17.996 -14.090 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.870 18.255 -15.149 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.899 18.847 -13.471 1.00 1.62 H new ATOM 0 HD11 ILE A 128 12.259 20.002 -12.349 1.00 2.03 H new ATOM 0 HD12 ILE A 128 12.199 19.252 -13.962 1.00 2.03 H new ATOM 0 HD13 ILE A 128 13.409 18.711 -12.774 1.00 2.03 H new ATOM 614 N THR A 129 14.736 22.364 -16.847 1.00 1.34 N ATOM 615 CA THR A 129 14.174 23.644 -17.364 1.00 1.42 C ATOM 616 C THR A 129 12.956 24.055 -16.531 1.00 1.16 C ATOM 617 O THR A 129 12.685 23.489 -15.491 1.00 0.97 O ATOM 618 CB THR A 129 13.767 23.345 -18.808 1.00 1.64 C ATOM 619 OG1 THR A 129 13.286 24.534 -19.418 1.00 2.23 O ATOM 620 CG2 THR A 129 12.670 22.281 -18.821 1.00 2.28 C ATOM 0 H THR A 129 14.682 21.573 -17.489 1.00 1.34 H new ATOM 0 HA THR A 129 14.889 24.465 -17.308 1.00 1.42 H new ATOM 0 HB THR A 129 14.631 22.977 -19.361 1.00 1.64 H new ATOM 0 HG1 THR A 129 13.026 24.345 -20.344 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.381 22.069 -19.850 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.042 21.369 -18.353 1.00 2.28 H new ATOM 0 HG23 THR A 129 11.804 22.645 -18.269 1.00 2.28 H new ATOM 628 N GLU A 130 12.222 25.038 -16.977 1.00 1.31 N ATOM 629 CA GLU A 130 11.027 25.486 -16.204 1.00 1.28 C ATOM 630 C GLU A 130 9.788 24.679 -16.610 1.00 1.16 C ATOM 631 O GLU A 130 9.012 24.255 -15.776 1.00 1.21 O ATOM 632 CB GLU A 130 10.850 26.960 -16.573 1.00 1.69 C ATOM 633 CG GLU A 130 9.532 27.477 -15.993 1.00 2.05 C ATOM 634 CD GLU A 130 9.823 28.393 -14.803 1.00 2.43 C ATOM 635 OE1 GLU A 130 10.310 27.895 -13.802 1.00 2.70 O ATOM 636 OE2 GLU A 130 9.552 29.578 -14.913 1.00 3.03 O ATOM 0 H GLU A 130 12.397 25.550 -17.842 1.00 1.31 H new ATOM 0 HA GLU A 130 11.156 25.342 -15.131 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.684 27.545 -16.186 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.854 27.077 -17.657 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.975 28.020 -16.756 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.908 26.641 -15.678 1.00 2.05 H new ATOM 643 N ASP A 131 9.594 24.469 -17.882 1.00 1.18 N ATOM 644 CA ASP A 131 8.402 23.697 -18.340 1.00 1.19 C ATOM 645 C ASP A 131 8.439 22.267 -17.793 1.00 1.07 C ATOM 646 O ASP A 131 7.477 21.531 -17.892 1.00 1.14 O ATOM 647 CB ASP A 131 8.499 23.689 -19.866 1.00 1.44 C ATOM 648 CG ASP A 131 7.101 23.526 -20.467 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.157 23.416 -19.702 1.00 1.91 O ATOM 650 OD2 ASP A 131 6.999 23.513 -21.683 1.00 2.07 O ATOM 0 H ASP A 131 10.209 24.798 -18.626 1.00 1.18 H new ATOM 0 HA ASP A 131 7.470 24.140 -17.989 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.951 24.617 -20.217 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.145 22.875 -20.195 1.00 1.44 H new ATOM 655 N ASP A 132 9.541 21.862 -17.223 1.00 1.00 N ATOM 656 CA ASP A 132 9.631 20.476 -16.679 1.00 1.03 C ATOM 657 C ASP A 132 9.276 20.462 -15.189 1.00 0.88 C ATOM 658 O ASP A 132 9.098 19.418 -14.595 1.00 1.03 O ATOM 659 CB ASP A 132 11.088 20.065 -16.889 1.00 1.13 C ATOM 660 CG ASP A 132 11.211 19.284 -18.198 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.445 18.353 -18.384 1.00 1.79 O ATOM 662 OD2 ASP A 132 12.070 19.630 -18.993 1.00 1.99 O ATOM 0 H ASP A 132 10.381 22.429 -17.110 1.00 1.00 H new ATOM 0 HA ASP A 132 8.938 19.794 -17.172 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.726 20.948 -16.918 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.429 19.453 -16.054 1.00 1.13 H new ATOM 667 N ILE A 133 9.175 21.612 -14.581 1.00 0.75 N ATOM 668 CA ILE A 133 8.834 21.660 -13.130 1.00 0.77 C ATOM 669 C ILE A 133 7.409 21.153 -12.896 1.00 0.70 C ATOM 670 O ILE A 133 7.103 20.588 -11.865 1.00 0.82 O ATOM 671 CB ILE A 133 8.943 23.135 -12.747 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.410 23.568 -12.801 1.00 0.96 C ATOM 673 CG2 ILE A 133 8.406 23.335 -11.329 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.207 22.806 -11.741 1.00 1.00 C ATOM 0 H ILE A 133 9.314 22.520 -15.025 1.00 0.75 H new ATOM 0 HA ILE A 133 9.494 21.030 -12.534 1.00 0.77 H new ATOM 0 HB ILE A 133 8.360 23.736 -13.445 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.822 23.372 -13.791 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.490 24.641 -12.629 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.484 24.387 -11.056 1.00 1.06 H new ATOM 0 HG22 ILE A 133 7.362 23.026 -11.288 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.989 22.735 -10.631 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.252 23.115 -11.780 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.801 23.024 -10.753 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.138 21.735 -11.933 1.00 1.00 H new ATOM 686 N GLU A 134 6.533 21.354 -13.842 1.00 0.61 N ATOM 687 CA GLU A 134 5.127 20.888 -13.667 1.00 0.64 C ATOM 688 C GLU A 134 5.022 19.384 -13.940 1.00 0.64 C ATOM 689 O GLU A 134 4.100 18.728 -13.499 1.00 0.76 O ATOM 690 CB GLU A 134 4.316 21.678 -14.695 1.00 0.73 C ATOM 691 CG GLU A 134 3.891 23.017 -14.089 1.00 0.89 C ATOM 692 CD GLU A 134 3.324 23.918 -15.188 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.112 24.544 -15.878 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.113 23.967 -15.320 1.00 1.86 O ATOM 0 H GLU A 134 6.729 21.820 -14.728 1.00 0.61 H new ATOM 0 HA GLU A 134 4.766 21.048 -12.651 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.911 21.845 -15.593 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.437 21.108 -14.997 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.142 22.856 -13.314 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.744 23.500 -13.612 1.00 0.89 H new ATOM 701 N GLU A 135 5.957 18.833 -14.664 1.00 0.59 N ATOM 702 CA GLU A 135 5.902 17.372 -14.962 1.00 0.67 C ATOM 703 C GLU A 135 5.714 16.571 -13.671 1.00 0.74 C ATOM 704 O GLU A 135 4.857 15.715 -13.579 1.00 0.91 O ATOM 705 CB GLU A 135 7.250 17.047 -15.604 1.00 0.72 C ATOM 706 CG GLU A 135 7.157 15.704 -16.329 1.00 1.16 C ATOM 707 CD GLU A 135 8.544 15.062 -16.397 1.00 1.56 C ATOM 708 OE1 GLU A 135 9.182 14.966 -15.362 1.00 2.03 O ATOM 709 OE2 GLU A 135 8.944 14.677 -17.484 1.00 2.29 O ATOM 0 H GLU A 135 6.755 19.329 -15.062 1.00 0.59 H new ATOM 0 HA GLU A 135 5.067 17.117 -15.615 1.00 0.67 H new ATOM 0 HB2 GLU A 135 7.530 17.833 -16.306 1.00 0.72 H new ATOM 0 HB3 GLU A 135 8.028 17.008 -14.842 1.00 0.72 H new ATOM 0 HG2 GLU A 135 6.465 15.044 -15.806 1.00 1.16 H new ATOM 0 HG3 GLU A 135 6.762 15.848 -17.335 1.00 1.16 H new ATOM 716 N LEU A 136 6.511 16.839 -12.673 1.00 0.73 N ATOM 717 CA LEU A 136 6.376 16.090 -11.390 1.00 0.87 C ATOM 718 C LEU A 136 5.017 16.380 -10.747 1.00 0.81 C ATOM 719 O LEU A 136 4.526 15.618 -9.938 1.00 1.00 O ATOM 720 CB LEU A 136 7.508 16.614 -10.505 1.00 0.99 C ATOM 721 CG LEU A 136 8.853 16.353 -11.186 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.838 17.461 -10.812 1.00 1.74 C ATOM 723 CD2 LEU A 136 9.405 15.004 -10.721 1.00 1.75 C ATOM 0 H LEU A 136 7.249 17.543 -12.690 1.00 0.73 H new ATOM 0 HA LEU A 136 6.435 15.011 -11.534 1.00 0.87 H new ATOM 0 HB2 LEU A 136 7.380 17.682 -10.327 1.00 0.99 H new ATOM 0 HB3 LEU A 136 7.480 16.123 -9.532 1.00 0.99 H new ATOM 0 HG LEU A 136 8.716 16.338 -12.267 1.00 1.09 H new ATOM 0 HD11 LEU A 136 10.796 17.275 -11.297 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.445 18.423 -11.141 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.976 17.476 -9.731 1.00 1.74 H new ATOM 0 HD21 LEU A 136 10.363 14.817 -11.205 1.00 1.75 H new ATOM 0 HD22 LEU A 136 9.542 15.020 -9.640 1.00 1.75 H new ATOM 0 HD23 LEU A 136 8.704 14.213 -10.986 1.00 1.75 H new ATOM 735 N MET A 137 4.409 17.480 -11.098 1.00 0.67 N ATOM 736 CA MET A 137 3.085 17.823 -10.503 1.00 0.71 C ATOM 737 C MET A 137 1.968 17.022 -11.180 1.00 0.68 C ATOM 738 O MET A 137 0.992 16.655 -10.557 1.00 0.70 O ATOM 739 CB MET A 137 2.909 19.317 -10.770 1.00 0.82 C ATOM 740 CG MET A 137 2.655 20.044 -9.448 1.00 0.99 C ATOM 741 SD MET A 137 0.949 20.648 -9.410 1.00 0.94 S ATOM 742 CE MET A 137 0.997 21.355 -7.745 1.00 0.53 C ATOM 0 H MET A 137 4.771 18.156 -11.771 1.00 0.67 H new ATOM 0 HA MET A 137 3.039 17.587 -9.440 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.800 19.719 -11.253 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.075 19.480 -11.453 1.00 0.82 H new ATOM 0 HG2 MET A 137 2.832 19.370 -8.610 1.00 0.99 H new ATOM 0 HG3 MET A 137 3.350 20.877 -9.339 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.012 21.745 -7.487 1.00 0.53 H new ATOM 0 HE2 MET A 137 1.281 20.583 -7.030 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.727 22.164 -7.714 1.00 0.53 H new ATOM 752 N LYS A 138 2.101 16.751 -12.450 1.00 0.76 N ATOM 753 CA LYS A 138 1.041 15.977 -13.160 1.00 0.82 C ATOM 754 C LYS A 138 0.594 14.788 -12.306 1.00 0.72 C ATOM 755 O LYS A 138 -0.581 14.499 -12.194 1.00 0.84 O ATOM 756 CB LYS A 138 1.698 15.492 -14.452 1.00 0.99 C ATOM 757 CG LYS A 138 1.518 16.547 -15.545 1.00 1.57 C ATOM 758 CD LYS A 138 2.140 16.045 -16.850 1.00 2.09 C ATOM 759 CE LYS A 138 1.676 16.929 -18.011 1.00 2.74 C ATOM 760 NZ LYS A 138 0.700 16.092 -18.763 1.00 3.43 N ATOM 0 H LYS A 138 2.895 17.031 -13.026 1.00 0.76 H new ATOM 0 HA LYS A 138 0.154 16.579 -13.357 1.00 0.82 H new ATOM 0 HB2 LYS A 138 2.759 15.304 -14.285 1.00 0.99 H new ATOM 0 HB3 LYS A 138 1.253 14.548 -14.766 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.458 16.756 -15.692 1.00 1.57 H new ATOM 0 HG3 LYS A 138 1.988 17.483 -15.242 1.00 1.57 H new ATOM 0 HD2 LYS A 138 3.227 16.063 -16.777 1.00 2.09 H new ATOM 0 HD3 LYS A 138 1.850 15.010 -17.029 1.00 2.09 H new ATOM 0 HE2 LYS A 138 1.213 17.847 -17.648 1.00 2.74 H new ATOM 0 HE3 LYS A 138 2.514 17.223 -18.643 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 0.336 16.629 -19.576 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 1.171 15.229 -19.101 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -0.090 15.833 -18.138 1.00 3.43 H new ATOM 774 N ASP A 139 1.522 14.096 -11.704 1.00 0.75 N ATOM 775 CA ASP A 139 1.147 12.926 -10.859 1.00 0.78 C ATOM 776 C ASP A 139 0.788 13.390 -9.444 1.00 0.70 C ATOM 777 O ASP A 139 -0.116 12.869 -8.820 1.00 0.81 O ATOM 778 CB ASP A 139 2.393 12.039 -10.835 1.00 0.97 C ATOM 779 CG ASP A 139 2.209 10.875 -11.811 1.00 1.16 C ATOM 780 OD1 ASP A 139 1.213 10.181 -11.692 1.00 1.69 O ATOM 781 OD2 ASP A 139 3.067 10.698 -12.660 1.00 1.66 O ATOM 0 H ASP A 139 2.522 14.289 -11.760 1.00 0.75 H new ATOM 0 HA ASP A 139 0.278 12.396 -11.248 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.273 12.622 -11.109 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.563 11.659 -9.827 1.00 0.97 H new ATOM 786 N GLY A 140 1.487 14.367 -8.933 1.00 0.64 N ATOM 787 CA GLY A 140 1.185 14.863 -7.560 1.00 0.62 C ATOM 788 C GLY A 140 -0.157 15.595 -7.566 1.00 0.57 C ATOM 789 O GLY A 140 -0.805 15.732 -6.547 1.00 0.65 O ATOM 0 H GLY A 140 2.254 14.843 -9.407 1.00 0.64 H new ATOM 0 HA2 GLY A 140 1.153 14.029 -6.859 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.975 15.533 -7.222 1.00 0.62 H new ATOM 793 N ASP A 141 -0.581 16.067 -8.706 1.00 0.56 N ATOM 794 CA ASP A 141 -1.883 16.789 -8.777 1.00 0.56 C ATOM 795 C ASP A 141 -2.701 16.290 -9.968 1.00 0.58 C ATOM 796 O ASP A 141 -3.319 17.061 -10.673 1.00 0.64 O ATOM 797 CB ASP A 141 -1.515 18.261 -8.966 1.00 0.60 C ATOM 798 CG ASP A 141 -2.325 19.119 -7.993 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.391 18.679 -7.591 1.00 1.14 O ATOM 800 OD2 ASP A 141 -1.867 20.201 -7.666 1.00 1.23 O ATOM 0 H ASP A 141 -0.082 15.984 -9.592 1.00 0.56 H new ATOM 0 HA ASP A 141 -2.488 16.630 -7.884 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -0.448 18.405 -8.793 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -1.716 18.568 -9.992 1.00 0.60 H new ATOM 805 N LYS A 142 -2.710 15.006 -10.201 1.00 0.62 N ATOM 806 CA LYS A 142 -3.491 14.467 -11.349 1.00 0.70 C ATOM 807 C LYS A 142 -4.913 15.035 -11.327 1.00 0.79 C ATOM 808 O LYS A 142 -5.571 15.130 -12.344 1.00 0.92 O ATOM 809 CB LYS A 142 -3.511 12.953 -11.142 1.00 0.79 C ATOM 810 CG LYS A 142 -2.524 12.295 -12.107 1.00 0.88 C ATOM 811 CD LYS A 142 -2.963 10.856 -12.387 1.00 1.37 C ATOM 812 CE LYS A 142 -4.313 10.866 -13.112 1.00 1.79 C ATOM 813 NZ LYS A 142 -5.331 10.567 -12.062 1.00 2.44 N ATOM 0 H LYS A 142 -2.212 14.309 -9.648 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.055 14.736 -12.311 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -3.245 12.712 -10.113 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -4.515 12.565 -11.311 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -2.479 12.860 -13.038 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -1.521 12.304 -11.680 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -2.215 10.348 -12.996 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -3.044 10.301 -11.453 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.502 11.833 -13.577 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.338 10.120 -13.906 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -5.737 9.624 -12.230 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -4.880 10.587 -11.125 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -6.087 11.281 -12.098 1.00 2.44 H new ATOM 827 N ASN A 143 -5.390 15.417 -10.173 1.00 0.80 N ATOM 828 CA ASN A 143 -6.767 15.983 -10.086 1.00 0.95 C ATOM 829 C ASN A 143 -6.784 17.411 -10.640 1.00 0.92 C ATOM 830 O ASN A 143 -7.823 18.025 -10.773 1.00 1.08 O ATOM 831 CB ASN A 143 -7.102 15.982 -8.594 1.00 1.07 C ATOM 832 CG ASN A 143 -8.476 16.616 -8.377 1.00 1.36 C ATOM 833 OD1 ASN A 143 -9.406 16.345 -9.111 1.00 1.95 O ATOM 834 ND2 ASN A 143 -8.646 17.456 -7.392 1.00 1.70 N ATOM 0 H ASN A 143 -4.886 15.362 -9.288 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.489 15.408 -10.665 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -7.096 14.962 -8.210 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -6.343 16.535 -8.040 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -9.559 17.884 -7.239 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.866 17.684 -6.776 1.00 1.70 H new ATOM 841 N ASN A 144 -5.636 17.941 -10.963 1.00 0.86 N ATOM 842 CA ASN A 144 -5.578 19.327 -11.509 1.00 0.93 C ATOM 843 C ASN A 144 -6.521 20.245 -10.727 1.00 1.03 C ATOM 844 O ASN A 144 -7.598 20.579 -11.178 1.00 1.71 O ATOM 845 CB ASN A 144 -6.032 19.198 -12.963 1.00 1.08 C ATOM 846 CG ASN A 144 -5.399 20.313 -13.796 1.00 1.49 C ATOM 847 OD1 ASN A 144 -4.295 20.170 -14.284 1.00 2.18 O ATOM 848 ND2 ASN A 144 -6.055 21.425 -13.981 1.00 1.97 N ATOM 0 H ASN A 144 -4.734 17.473 -10.872 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.581 19.761 -11.431 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.744 18.225 -13.360 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -7.119 19.257 -13.022 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -5.642 22.175 -14.535 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -6.981 21.545 -13.571 1.00 1.97 H new ATOM 855 N ASP A 145 -6.119 20.654 -9.556 1.00 0.88 N ATOM 856 CA ASP A 145 -6.983 21.550 -8.736 1.00 0.92 C ATOM 857 C ASP A 145 -6.199 22.811 -8.345 1.00 0.91 C ATOM 858 O ASP A 145 -6.740 23.741 -7.780 1.00 1.07 O ATOM 859 CB ASP A 145 -7.352 20.703 -7.508 1.00 0.93 C ATOM 860 CG ASP A 145 -7.473 21.579 -6.256 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.174 22.575 -6.319 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.861 21.234 -5.258 1.00 2.06 O ATOM 0 H ASP A 145 -5.226 20.406 -9.130 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.872 21.896 -9.263 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -8.295 20.186 -7.688 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -6.594 19.937 -7.349 1.00 0.93 H new ATOM 867 N GLY A 146 -4.929 22.847 -8.645 1.00 0.84 N ATOM 868 CA GLY A 146 -4.114 24.045 -8.294 1.00 0.92 C ATOM 869 C GLY A 146 -3.351 23.785 -6.994 1.00 0.66 C ATOM 870 O GLY A 146 -2.533 24.579 -6.575 1.00 0.74 O ATOM 0 H GLY A 146 -4.421 22.099 -9.118 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -3.414 24.270 -9.099 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -4.760 24.916 -8.180 1.00 0.92 H new ATOM 874 N ARG A 147 -3.611 22.680 -6.351 1.00 0.56 N ATOM 875 CA ARG A 147 -2.898 22.375 -5.077 1.00 0.54 C ATOM 876 C ARG A 147 -2.710 20.864 -4.921 1.00 0.46 C ATOM 877 O ARG A 147 -3.431 20.076 -5.501 1.00 0.45 O ATOM 878 CB ARG A 147 -3.809 22.918 -3.976 1.00 0.77 C ATOM 879 CG ARG A 147 -3.075 24.012 -3.198 1.00 1.39 C ATOM 880 CD ARG A 147 -4.078 24.790 -2.343 1.00 1.79 C ATOM 881 NE ARG A 147 -3.327 25.158 -1.111 1.00 2.55 N ATOM 882 CZ ARG A 147 -2.387 26.064 -1.162 1.00 2.87 C ATOM 883 NH1 ARG A 147 -2.103 26.653 -2.292 1.00 3.10 N ATOM 884 NH2 ARG A 147 -1.730 26.381 -0.079 1.00 3.37 N ATOM 0 H ARG A 147 -4.285 21.976 -6.651 1.00 0.56 H new ATOM 0 HA ARG A 147 -1.904 22.822 -5.044 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -4.724 23.319 -4.412 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -4.103 22.113 -3.302 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -2.307 23.569 -2.564 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -2.569 24.687 -3.888 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -4.439 25.676 -2.865 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.951 24.182 -2.107 1.00 1.79 H new ATOM 0 HE ARG A 147 -3.547 24.702 -0.226 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -2.616 26.406 -3.139 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -1.369 27.360 -2.328 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -1.951 25.922 0.804 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -0.996 27.088 -0.116 1.00 3.37 H new ATOM 898 N ILE A 148 -1.748 20.454 -4.141 1.00 0.49 N ATOM 899 CA ILE A 148 -1.514 18.994 -3.945 1.00 0.44 C ATOM 900 C ILE A 148 -1.692 18.626 -2.470 1.00 0.46 C ATOM 901 O ILE A 148 -0.806 18.818 -1.662 1.00 0.63 O ATOM 902 CB ILE A 148 -0.070 18.760 -4.386 1.00 0.46 C ATOM 903 CG1 ILE A 148 0.015 18.830 -5.913 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.390 17.380 -3.912 1.00 0.47 C ATOM 905 CD1 ILE A 148 1.378 18.309 -6.374 1.00 0.63 C ATOM 0 H ILE A 148 -1.113 21.067 -3.630 1.00 0.49 H new ATOM 0 HA ILE A 148 -2.216 18.383 -4.513 1.00 0.44 H new ATOM 0 HB ILE A 148 0.572 19.526 -3.951 1.00 0.46 H new ATOM 0 HG12 ILE A 148 -0.783 18.237 -6.360 1.00 0.56 H new ATOM 0 HG13 ILE A 148 -0.126 19.857 -6.249 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.420 17.212 -4.226 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.329 17.330 -2.825 1.00 0.47 H new ATOM 0 HG23 ILE A 148 -0.251 16.613 -4.347 1.00 0.47 H new ATOM 0 HD11 ILE A 148 1.438 18.359 -7.461 1.00 0.63 H new ATOM 0 HD12 ILE A 148 2.168 18.921 -5.938 1.00 0.63 H new ATOM 0 HD13 ILE A 148 1.501 17.275 -6.051 1.00 0.63 H new ATOM 917 N ASP A 149 -2.831 18.100 -2.113 1.00 0.48 N ATOM 918 CA ASP A 149 -3.065 17.722 -0.690 1.00 0.53 C ATOM 919 C ASP A 149 -2.219 16.502 -0.319 1.00 0.53 C ATOM 920 O ASP A 149 -1.320 16.115 -1.039 1.00 0.63 O ATOM 921 CB ASP A 149 -4.555 17.388 -0.607 1.00 0.58 C ATOM 922 CG ASP A 149 -4.886 16.273 -1.600 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.016 15.456 -1.855 1.00 1.84 O ATOM 924 OD2 ASP A 149 -6.003 16.254 -2.089 1.00 1.65 O ATOM 0 H ASP A 149 -3.610 17.915 -2.745 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.788 18.520 -0.001 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.812 17.076 0.405 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -5.150 18.274 -0.828 1.00 0.58 H new ATOM 929 N TYR A 150 -2.499 15.894 0.801 1.00 0.58 N ATOM 930 CA TYR A 150 -1.711 14.699 1.220 1.00 0.60 C ATOM 931 C TYR A 150 -2.320 13.428 0.621 1.00 0.59 C ATOM 932 O TYR A 150 -1.630 12.465 0.353 1.00 0.63 O ATOM 933 CB TYR A 150 -1.810 14.677 2.747 1.00 0.73 C ATOM 934 CG TYR A 150 -1.107 13.453 3.289 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.109 12.822 2.536 1.00 1.22 C ATOM 936 CD2 TYR A 150 -1.457 12.950 4.548 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.539 11.688 3.043 1.00 1.56 C ATOM 938 CE2 TYR A 150 -0.810 11.817 5.054 1.00 1.43 C ATOM 939 CZ TYR A 150 0.188 11.186 4.302 1.00 1.48 C ATOM 940 OH TYR A 150 0.826 10.069 4.801 1.00 1.96 O ATOM 0 H TYR A 150 -3.240 16.173 1.445 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.676 14.744 0.880 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.361 15.579 3.163 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.856 14.672 3.053 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.161 13.209 1.565 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -2.227 13.437 5.129 1.00 1.15 H new ATOM 0 HE1 TYR A 150 1.309 11.201 2.463 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -1.081 11.429 6.025 1.00 1.43 H new ATOM 0 HH TYR A 150 0.185 9.331 4.874 1.00 1.96 H new ATOM 950 N ASP A 151 -3.608 13.420 0.406 1.00 0.64 N ATOM 951 CA ASP A 151 -4.260 12.212 -0.178 1.00 0.70 C ATOM 952 C ASP A 151 -3.715 11.946 -1.583 1.00 0.63 C ATOM 953 O ASP A 151 -3.480 10.817 -1.965 1.00 0.77 O ATOM 954 CB ASP A 151 -5.749 12.554 -0.238 1.00 0.79 C ATOM 955 CG ASP A 151 -6.566 11.384 0.312 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.260 10.935 1.404 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.484 10.956 -0.368 1.00 1.83 O ATOM 0 H ASP A 151 -4.237 14.197 0.609 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.072 11.315 0.412 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.949 13.455 0.342 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.043 12.765 -1.266 1.00 0.79 H new ATOM 962 N GLU A 152 -3.514 12.978 -2.355 1.00 0.54 N ATOM 963 CA GLU A 152 -2.984 12.785 -3.736 1.00 0.56 C ATOM 964 C GLU A 152 -1.504 12.400 -3.684 1.00 0.52 C ATOM 965 O GLU A 152 -1.036 11.587 -4.456 1.00 0.65 O ATOM 966 CB GLU A 152 -3.160 14.140 -4.420 1.00 0.60 C ATOM 967 CG GLU A 152 -4.615 14.306 -4.861 1.00 0.77 C ATOM 968 CD GLU A 152 -4.888 15.778 -5.176 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.943 16.563 -4.244 1.00 1.17 O ATOM 970 OE2 GLU A 152 -5.038 16.096 -6.344 1.00 1.40 O ATOM 0 H GLU A 152 -3.693 13.947 -2.090 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.502 11.988 -4.270 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.883 14.943 -3.737 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.497 14.212 -5.282 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.812 13.692 -5.740 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.286 13.961 -4.075 1.00 0.77 H new ATOM 977 N PHE A 153 -0.764 12.979 -2.778 1.00 0.46 N ATOM 978 CA PHE A 153 0.686 12.650 -2.675 1.00 0.46 C ATOM 979 C PHE A 153 0.888 11.132 -2.674 1.00 0.50 C ATOM 980 O PHE A 153 1.804 10.618 -3.285 1.00 0.64 O ATOM 981 CB PHE A 153 1.133 13.253 -1.343 1.00 0.49 C ATOM 982 CG PHE A 153 2.636 13.169 -1.232 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.443 13.998 -2.020 1.00 0.52 C ATOM 984 CD2 PHE A 153 3.222 12.262 -0.340 1.00 0.62 C ATOM 985 CE1 PHE A 153 4.837 13.920 -1.917 1.00 0.61 C ATOM 986 CE2 PHE A 153 4.616 12.184 -0.237 1.00 0.73 C ATOM 987 CZ PHE A 153 5.423 13.013 -1.025 1.00 0.68 C ATOM 0 H PHE A 153 -1.101 13.666 -2.104 1.00 0.46 H new ATOM 0 HA PHE A 153 1.260 13.043 -3.514 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.810 14.292 -1.275 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.666 12.719 -0.515 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.990 14.698 -2.707 1.00 0.52 H new ATOM 0 HD2 PHE A 153 2.599 11.623 0.268 1.00 0.62 H new ATOM 0 HE1 PHE A 153 5.460 14.559 -2.525 1.00 0.61 H new ATOM 0 HE2 PHE A 153 5.069 11.484 0.450 1.00 0.73 H new ATOM 0 HZ PHE A 153 6.498 12.953 -0.945 1.00 0.68 H new ATOM 997 N LEU A 154 0.039 10.411 -1.993 1.00 0.53 N ATOM 998 CA LEU A 154 0.185 8.927 -1.956 1.00 0.62 C ATOM 999 C LEU A 154 0.149 8.357 -3.377 1.00 0.65 C ATOM 1000 O LEU A 154 1.018 7.608 -3.778 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.016 8.431 -1.149 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.604 8.237 0.312 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.404 7.092 0.412 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.035 9.525 0.835 1.00 1.20 C ATOM 0 H LEU A 154 -0.748 10.784 -1.462 1.00 0.53 H new ATOM 0 HA LEU A 154 1.131 8.616 -1.513 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.834 9.149 -1.215 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.383 7.491 -1.562 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.484 7.998 0.909 1.00 0.91 H new ATOM 0 HD11 LEU A 154 0.697 6.955 1.453 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -0.050 6.174 0.039 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.285 7.330 -0.184 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.329 9.389 1.876 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.915 9.763 0.237 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -0.683 10.342 0.765 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.849 8.707 -4.141 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.938 8.186 -5.535 1.00 0.81 C ATOM 1018 C GLU A 155 0.312 8.575 -6.328 1.00 0.76 C ATOM 1019 O GLU A 155 0.631 7.979 -7.337 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.178 8.856 -6.128 1.00 0.97 C ATOM 1021 CG GLU A 155 -2.496 8.231 -7.487 1.00 1.41 C ATOM 1022 CD GLU A 155 -1.797 9.026 -8.590 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -2.003 10.227 -8.649 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -1.067 8.421 -9.358 1.00 2.77 O ATOM 0 H GLU A 155 -1.606 9.331 -3.861 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.006 7.099 -5.565 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -3.026 8.737 -5.454 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.007 9.927 -6.239 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -2.166 7.192 -7.508 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -3.573 8.227 -7.654 1.00 1.41 H new ATOM 1031 N PHE A 156 1.023 9.573 -5.878 1.00 0.66 N ATOM 1032 CA PHE A 156 2.252 10.000 -6.605 1.00 0.77 C ATOM 1033 C PHE A 156 3.457 9.186 -6.126 1.00 0.71 C ATOM 1034 O PHE A 156 4.294 8.780 -6.908 1.00 0.88 O ATOM 1035 CB PHE A 156 2.425 11.478 -6.251 1.00 0.84 C ATOM 1036 CG PHE A 156 3.809 11.935 -6.646 1.00 1.01 C ATOM 1037 CD1 PHE A 156 4.342 11.569 -7.888 1.00 1.09 C ATOM 1038 CD2 PHE A 156 4.559 12.729 -5.769 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.624 11.995 -8.253 1.00 1.31 C ATOM 1040 CE2 PHE A 156 5.841 13.156 -6.134 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.374 12.789 -7.376 1.00 1.53 C ATOM 0 H PHE A 156 0.806 10.111 -5.039 1.00 0.66 H new ATOM 0 HA PHE A 156 2.173 9.846 -7.681 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.673 12.076 -6.766 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.273 11.626 -5.182 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.763 10.958 -8.565 1.00 1.09 H new ATOM 0 HD2 PHE A 156 4.148 13.012 -4.811 1.00 1.49 H new ATOM 0 HE1 PHE A 156 6.035 11.712 -9.211 1.00 1.31 H new ATOM 0 HE2 PHE A 156 6.419 13.768 -5.458 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.363 13.118 -7.658 1.00 1.53 H new ATOM 1051 N MET A 157 3.550 8.944 -4.847 1.00 0.61 N ATOM 1052 CA MET A 157 4.700 8.155 -4.320 1.00 0.69 C ATOM 1053 C MET A 157 4.369 6.660 -4.341 1.00 0.83 C ATOM 1054 O MET A 157 5.231 5.821 -4.170 1.00 1.17 O ATOM 1055 CB MET A 157 4.889 8.642 -2.883 1.00 0.84 C ATOM 1056 CG MET A 157 4.985 10.168 -2.869 1.00 0.92 C ATOM 1057 SD MET A 157 6.473 10.686 -3.762 1.00 1.56 S ATOM 1058 CE MET A 157 7.578 10.771 -2.331 1.00 0.90 C ATOM 0 H MET A 157 2.880 9.258 -4.145 1.00 0.61 H new ATOM 0 HA MET A 157 5.602 8.289 -4.918 1.00 0.69 H new ATOM 0 HB2 MET A 157 4.054 8.314 -2.264 1.00 0.84 H new ATOM 0 HB3 MET A 157 5.792 8.206 -2.456 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.100 10.603 -3.332 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.019 10.532 -1.842 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.850 11.810 -2.142 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.072 10.364 -1.456 1.00 0.90 H new ATOM 0 HE3 MET A 157 8.479 10.191 -2.532 1.00 0.90 H new ATOM 1068 N LYS A 158 3.126 6.322 -4.549 1.00 0.86 N ATOM 1069 CA LYS A 158 2.741 4.882 -4.580 1.00 1.07 C ATOM 1070 C LYS A 158 3.454 4.167 -5.731 1.00 1.36 C ATOM 1071 O LYS A 158 2.860 3.857 -6.745 1.00 1.73 O ATOM 1072 CB LYS A 158 1.228 4.883 -4.802 1.00 1.28 C ATOM 1073 CG LYS A 158 0.694 3.453 -4.693 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.275 3.356 -3.512 1.00 2.24 C ATOM 1075 CE LYS A 158 -1.685 3.730 -3.975 1.00 2.85 C ATOM 1076 NZ LYS A 158 -2.104 4.837 -3.070 1.00 3.52 N ATOM 0 H LYS A 158 2.361 6.980 -4.699 1.00 0.86 H new ATOM 0 HA LYS A 158 3.019 4.360 -3.664 1.00 1.07 H new ATOM 0 HB2 LYS A 158 0.742 5.521 -4.064 1.00 1.28 H new ATOM 0 HB3 LYS A 158 0.994 5.296 -5.783 1.00 1.28 H new ATOM 0 HG2 LYS A 158 0.187 3.172 -5.616 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.520 2.755 -4.557 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.271 2.344 -3.107 1.00 2.24 H new ATOM 0 HD3 LYS A 158 0.044 4.022 -2.710 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -1.687 4.049 -5.017 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -2.364 2.880 -3.901 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -3.063 5.149 -3.324 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.099 4.501 -2.086 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.443 5.634 -3.168 1.00 3.52 H new