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+ -160:sc= -2.61! (180deg=-4.53!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -79:sc= 0.591! USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.47) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -121:sc=-0.00119 (180deg=-0.0386) USER MOD Single : A 120 MET CE :methyl 164:sc= -0.0338 (180deg=-0.707) USER MOD Single : A 122 GLN :FLIP amide:sc= -0.223 F(o=-0.81,f=-0.22) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= 0.0254 USER MOD Single : A 137 MET CE :methyl 164:sc= -2.39 (180deg=-3.61!) USER MOD Single : A 138 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00375) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.4!) USER MOD Single : A 144 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.017) USER MOD Single : A 150 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 92 8.251 5.236 1.243 1.00 1.27 N ATOM 28 CA LYS A 92 7.675 3.862 1.218 1.00 1.47 C ATOM 29 C LYS A 92 6.171 3.912 1.501 1.00 1.40 C ATOM 30 O LYS A 92 5.477 4.810 1.067 1.00 1.56 O ATOM 31 CB LYS A 92 8.403 3.108 2.330 1.00 1.61 C ATOM 32 CG LYS A 92 8.496 1.624 1.966 1.00 1.94 C ATOM 33 CD LYS A 92 9.910 1.114 2.253 1.00 2.31 C ATOM 34 CE LYS A 92 10.035 0.759 3.736 1.00 2.59 C ATOM 35 NZ LYS A 92 9.855 2.051 4.454 1.00 3.20 N ATOM 0 HA LYS A 92 7.799 3.380 0.248 1.00 1.47 H new ATOM 0 HB2 LYS A 92 9.401 3.522 2.471 1.00 1.61 H new ATOM 0 HB3 LYS A 92 7.872 3.229 3.274 1.00 1.61 H new ATOM 0 HG2 LYS A 92 7.768 1.052 2.541 1.00 1.94 H new ATOM 0 HG3 LYS A 92 8.254 1.481 0.913 1.00 1.94 H new ATOM 0 HD2 LYS A 92 10.123 0.239 1.640 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.643 1.876 1.988 1.00 2.31 H new ATOM 0 HE2 LYS A 92 9.279 0.033 4.034 1.00 2.59 H new ATOM 0 HE3 LYS A 92 11.006 0.316 3.956 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 10.251 1.974 5.413 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.347 2.807 3.936 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 8.841 2.276 4.515 1.00 3.20 H new ATOM 49 N SER A 93 5.663 2.954 2.228 1.00 1.38 N ATOM 50 CA SER A 93 4.205 2.948 2.539 1.00 1.40 C ATOM 51 C SER A 93 3.798 4.276 3.181 1.00 1.20 C ATOM 52 O SER A 93 4.588 5.193 3.285 1.00 1.08 O ATOM 53 CB SER A 93 4.015 1.796 3.525 1.00 1.60 C ATOM 54 OG SER A 93 2.693 1.287 3.404 1.00 2.20 O ATOM 0 H SER A 93 6.194 2.176 2.620 1.00 1.38 H new ATOM 0 HA SER A 93 3.592 2.825 1.646 1.00 1.40 H new ATOM 0 HB2 SER A 93 4.740 1.007 3.325 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.192 2.141 4.544 1.00 1.60 H new ATOM 0 HG SER A 93 2.569 0.547 4.034 1.00 2.20 H new ATOM 60 N GLU A 94 2.572 4.387 3.613 1.00 1.26 N ATOM 61 CA GLU A 94 2.123 5.658 4.247 1.00 1.17 C ATOM 62 C GLU A 94 2.906 5.905 5.539 1.00 1.12 C ATOM 63 O GLU A 94 2.862 6.976 6.109 1.00 1.09 O ATOM 64 CB GLU A 94 0.638 5.455 4.545 1.00 1.33 C ATOM 65 CG GLU A 94 -0.190 6.326 3.597 1.00 1.28 C ATOM 66 CD GLU A 94 -1.190 5.450 2.842 1.00 1.44 C ATOM 67 OE1 GLU A 94 -0.954 4.256 2.754 1.00 2.09 O ATOM 68 OE2 GLU A 94 -2.176 5.987 2.364 1.00 1.94 O ATOM 0 H GLU A 94 1.864 3.655 3.555 1.00 1.26 H new ATOM 0 HA GLU A 94 2.289 6.522 3.604 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.370 4.406 4.421 1.00 1.33 H new ATOM 0 HB3 GLU A 94 0.423 5.718 5.581 1.00 1.33 H new ATOM 0 HG2 GLU A 94 -0.718 7.096 4.161 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.465 6.839 2.892 1.00 1.28 H new ATOM 75 N GLU A 95 3.627 4.920 6.001 1.00 1.19 N ATOM 76 CA GLU A 95 4.418 5.098 7.252 1.00 1.23 C ATOM 77 C GLU A 95 5.424 6.238 7.078 1.00 1.03 C ATOM 78 O GLU A 95 5.368 7.240 7.763 1.00 1.01 O ATOM 79 CB GLU A 95 5.144 3.768 7.454 1.00 1.45 C ATOM 80 CG GLU A 95 4.119 2.644 7.617 1.00 1.90 C ATOM 81 CD GLU A 95 4.789 1.433 8.268 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.952 1.543 8.622 1.00 2.49 O ATOM 83 OE2 GLU A 95 4.129 0.416 8.402 1.00 2.66 O ATOM 0 H GLU A 95 3.703 4.000 5.567 1.00 1.19 H new ATOM 0 HA GLU A 95 3.791 5.353 8.107 1.00 1.23 H new ATOM 0 HB2 GLU A 95 5.792 3.563 6.602 1.00 1.45 H new ATOM 0 HB3 GLU A 95 5.784 3.821 8.335 1.00 1.45 H new ATOM 0 HG2 GLU A 95 3.285 2.985 8.230 1.00 1.90 H new ATOM 0 HG3 GLU A 95 3.709 2.368 6.646 1.00 1.90 H new ATOM 90 N GLU A 96 6.343 6.094 6.162 1.00 1.02 N ATOM 91 CA GLU A 96 7.350 7.171 5.940 1.00 0.94 C ATOM 92 C GLU A 96 6.748 8.281 5.077 1.00 0.79 C ATOM 93 O GLU A 96 7.206 9.406 5.083 1.00 0.82 O ATOM 94 CB GLU A 96 8.504 6.487 5.206 1.00 1.15 C ATOM 95 CG GLU A 96 9.008 5.306 6.037 1.00 1.62 C ATOM 96 CD GLU A 96 9.664 5.827 7.317 1.00 1.99 C ATOM 97 OE1 GLU A 96 10.266 6.887 7.261 1.00 2.78 O ATOM 98 OE2 GLU A 96 9.552 5.158 8.331 1.00 2.18 O ATOM 0 H GLU A 96 6.440 5.278 5.558 1.00 1.02 H new ATOM 0 HA GLU A 96 7.677 7.633 6.872 1.00 0.94 H new ATOM 0 HB2 GLU A 96 8.172 6.141 4.227 1.00 1.15 H new ATOM 0 HB3 GLU A 96 9.313 7.197 5.036 1.00 1.15 H new ATOM 0 HG2 GLU A 96 8.180 4.642 6.284 1.00 1.62 H new ATOM 0 HG3 GLU A 96 9.725 4.721 5.460 1.00 1.62 H new ATOM 105 N LEU A 97 5.722 7.970 4.334 1.00 0.77 N ATOM 106 CA LEU A 97 5.084 9.001 3.468 1.00 0.71 C ATOM 107 C LEU A 97 4.548 10.153 4.320 1.00 0.67 C ATOM 108 O LEU A 97 4.808 11.310 4.053 1.00 0.75 O ATOM 109 CB LEU A 97 3.936 8.268 2.774 1.00 0.80 C ATOM 110 CG LEU A 97 4.173 8.250 1.264 1.00 0.77 C ATOM 111 CD1 LEU A 97 3.938 9.650 0.696 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.614 7.816 0.980 1.00 1.22 C ATOM 0 H LEU A 97 5.297 7.044 4.289 1.00 0.77 H new ATOM 0 HA LEU A 97 5.785 9.437 2.756 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.862 7.248 3.152 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.990 8.761 2.997 1.00 0.80 H new ATOM 0 HG LEU A 97 3.484 7.548 0.794 1.00 0.77 H new ATOM 0 HD11 LEU A 97 4.107 9.639 -0.381 1.00 1.40 H new ATOM 0 HD12 LEU A 97 2.912 9.958 0.899 1.00 1.40 H new ATOM 0 HD13 LEU A 97 4.627 10.353 1.164 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.785 7.803 -0.096 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.304 8.518 1.448 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.780 6.818 1.386 1.00 1.22 H new ATOM 124 N SER A 98 3.800 9.847 5.344 1.00 0.69 N ATOM 125 CA SER A 98 3.245 10.925 6.212 1.00 0.76 C ATOM 126 C SER A 98 4.351 11.905 6.615 1.00 0.72 C ATOM 127 O SER A 98 4.335 13.061 6.241 1.00 0.77 O ATOM 128 CB SER A 98 2.698 10.202 7.443 1.00 0.92 C ATOM 129 OG SER A 98 3.775 9.607 8.155 1.00 1.57 O ATOM 0 H SER A 98 3.549 8.897 5.618 1.00 0.69 H new ATOM 0 HA SER A 98 2.475 11.506 5.704 1.00 0.76 H new ATOM 0 HB2 SER A 98 2.166 10.904 8.085 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.980 9.439 7.142 1.00 0.92 H new ATOM 0 HG SER A 98 4.035 8.771 7.716 1.00 1.57 H new ATOM 135 N ASP A 99 5.309 11.454 7.379 1.00 0.80 N ATOM 136 CA ASP A 99 6.412 12.363 7.807 1.00 0.86 C ATOM 137 C ASP A 99 7.179 12.881 6.587 1.00 0.81 C ATOM 138 O ASP A 99 7.865 13.882 6.654 1.00 0.91 O ATOM 139 CB ASP A 99 7.319 11.501 8.689 1.00 1.02 C ATOM 140 CG ASP A 99 7.779 10.272 7.904 1.00 1.23 C ATOM 141 OD1 ASP A 99 8.770 10.380 7.201 1.00 1.79 O ATOM 142 OD2 ASP A 99 7.133 9.244 8.021 1.00 1.83 O ATOM 0 H ASP A 99 5.376 10.497 7.725 1.00 0.80 H new ATOM 0 HA ASP A 99 6.040 13.238 8.340 1.00 0.86 H new ATOM 0 HB2 ASP A 99 8.182 12.080 9.016 1.00 1.02 H new ATOM 0 HB3 ASP A 99 6.784 11.192 9.587 1.00 1.02 H new ATOM 147 N LEU A 100 7.068 12.211 5.473 1.00 0.75 N ATOM 148 CA LEU A 100 7.790 12.672 4.252 1.00 0.76 C ATOM 149 C LEU A 100 7.098 13.907 3.666 1.00 0.68 C ATOM 150 O LEU A 100 7.721 14.740 3.039 1.00 0.79 O ATOM 151 CB LEU A 100 7.714 11.495 3.279 1.00 0.86 C ATOM 152 CG LEU A 100 8.397 11.870 1.963 1.00 0.79 C ATOM 153 CD1 LEU A 100 9.873 12.179 2.222 1.00 1.41 C ATOM 154 CD2 LEU A 100 8.285 10.701 0.982 1.00 1.41 C ATOM 0 H LEU A 100 6.510 11.366 5.355 1.00 0.75 H new ATOM 0 HA LEU A 100 8.821 12.957 4.461 1.00 0.76 H new ATOM 0 HB2 LEU A 100 8.196 10.619 3.714 1.00 0.86 H new ATOM 0 HB3 LEU A 100 6.673 11.228 3.097 1.00 0.86 H new ATOM 0 HG LEU A 100 7.912 12.750 1.539 1.00 0.79 H new ATOM 0 HD11 LEU A 100 10.359 12.446 1.284 1.00 1.41 H new ATOM 0 HD12 LEU A 100 9.953 13.011 2.922 1.00 1.41 H new ATOM 0 HD13 LEU A 100 10.360 11.300 2.645 1.00 1.41 H new ATOM 0 HD21 LEU A 100 8.771 10.966 0.043 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.770 9.822 1.406 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.234 10.481 0.797 1.00 1.41 H new ATOM 166 N PHE A 101 5.814 14.033 3.870 1.00 0.60 N ATOM 167 CA PHE A 101 5.087 15.218 3.329 1.00 0.59 C ATOM 168 C PHE A 101 5.516 16.481 4.080 1.00 0.60 C ATOM 169 O PHE A 101 5.945 17.452 3.489 1.00 0.72 O ATOM 170 CB PHE A 101 3.606 14.922 3.576 1.00 0.61 C ATOM 171 CG PHE A 101 2.758 15.924 2.828 1.00 0.58 C ATOM 172 CD1 PHE A 101 2.962 16.129 1.458 1.00 0.86 C ATOM 173 CD2 PHE A 101 1.768 16.647 3.504 1.00 0.68 C ATOM 174 CE1 PHE A 101 2.175 17.056 0.765 1.00 0.90 C ATOM 175 CE2 PHE A 101 0.981 17.575 2.810 1.00 0.73 C ATOM 176 CZ PHE A 101 1.185 17.779 1.441 1.00 0.69 C ATOM 0 H PHE A 101 5.238 13.368 4.387 1.00 0.60 H new ATOM 0 HA PHE A 101 5.295 15.387 2.273 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.367 13.911 3.247 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.388 14.970 4.643 1.00 0.61 H new ATOM 0 HD1 PHE A 101 3.726 15.572 0.936 1.00 0.86 H new ATOM 0 HD2 PHE A 101 1.611 16.489 4.561 1.00 0.68 H new ATOM 0 HE1 PHE A 101 2.332 17.214 -0.292 1.00 0.90 H new ATOM 0 HE2 PHE A 101 0.217 18.133 3.331 1.00 0.73 H new ATOM 0 HZ PHE A 101 0.579 18.494 0.906 1.00 0.69 H new ATOM 186 N ARG A 102 5.408 16.472 5.380 1.00 0.67 N ATOM 187 CA ARG A 102 5.815 17.669 6.171 1.00 0.76 C ATOM 188 C ARG A 102 7.342 17.776 6.210 1.00 0.68 C ATOM 189 O ARG A 102 7.895 18.742 6.699 1.00 0.78 O ATOM 190 CB ARG A 102 5.258 17.425 7.575 1.00 0.99 C ATOM 191 CG ARG A 102 5.945 16.204 8.191 1.00 1.30 C ATOM 192 CD ARG A 102 5.183 15.764 9.443 1.00 1.45 C ATOM 193 NE ARG A 102 6.077 14.774 10.107 1.00 2.12 N ATOM 194 CZ ARG A 102 5.834 14.383 11.330 1.00 2.71 C ATOM 195 NH1 ARG A 102 4.813 14.867 11.985 1.00 3.07 N ATOM 196 NH2 ARG A 102 6.617 13.509 11.900 1.00 3.37 N ATOM 0 H ARG A 102 5.056 15.688 5.929 1.00 0.67 H new ATOM 0 HA ARG A 102 5.440 18.598 5.741 1.00 0.76 H new ATOM 0 HB2 ARG A 102 5.422 18.302 8.201 1.00 0.99 H new ATOM 0 HB3 ARG A 102 4.181 17.264 7.528 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.978 15.389 7.468 1.00 1.30 H new ATOM 0 HG3 ARG A 102 6.977 16.445 8.447 1.00 1.30 H new ATOM 0 HD2 ARG A 102 4.976 16.611 10.097 1.00 1.45 H new ATOM 0 HD3 ARG A 102 4.222 15.318 9.185 1.00 1.45 H new ATOM 0 HE ARG A 102 6.882 14.400 9.605 1.00 2.12 H new ATOM 0 HH11 ARG A 102 4.202 15.553 11.542 1.00 3.07 H new ATOM 0 HH12 ARG A 102 4.627 14.559 12.939 1.00 3.07 H new ATOM 0 HH21 ARG A 102 7.417 13.132 11.391 1.00 3.37 H new ATOM 0 HH22 ARG A 102 6.429 13.202 12.855 1.00 3.37 H new ATOM 210 N MET A 103 8.026 16.788 5.701 1.00 0.71 N ATOM 211 CA MET A 103 9.517 16.825 5.710 1.00 0.75 C ATOM 212 C MET A 103 10.027 18.059 4.959 1.00 0.68 C ATOM 213 O MET A 103 10.781 18.850 5.490 1.00 0.83 O ATOM 214 CB MET A 103 9.948 15.544 4.994 1.00 0.93 C ATOM 215 CG MET A 103 11.462 15.564 4.775 1.00 1.27 C ATOM 216 SD MET A 103 12.263 14.501 6.001 1.00 1.82 S ATOM 217 CE MET A 103 13.220 13.497 4.839 1.00 2.43 C ATOM 0 H MET A 103 7.616 15.955 5.278 1.00 0.71 H new ATOM 0 HA MET A 103 9.921 16.885 6.721 1.00 0.75 H new ATOM 0 HB2 MET A 103 9.667 14.673 5.586 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.433 15.459 4.037 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.699 15.219 3.769 1.00 1.27 H new ATOM 0 HG3 MET A 103 11.839 16.583 4.860 1.00 1.27 H new ATOM 0 HE1 MET A 103 13.802 12.759 5.390 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.542 12.987 4.155 1.00 2.43 H new ATOM 0 HE3 MET A 103 13.893 14.140 4.271 1.00 2.43 H new ATOM 227 N PHE A 104 9.629 18.229 3.728 1.00 0.68 N ATOM 228 CA PHE A 104 10.102 19.412 2.954 1.00 0.79 C ATOM 229 C PHE A 104 9.206 20.623 3.231 1.00 0.71 C ATOM 230 O PHE A 104 9.594 21.541 3.925 1.00 0.88 O ATOM 231 CB PHE A 104 10.010 18.989 1.487 1.00 0.94 C ATOM 232 CG PHE A 104 10.696 17.657 1.307 1.00 1.31 C ATOM 233 CD1 PHE A 104 12.078 17.604 1.092 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.949 16.473 1.356 1.00 2.03 C ATOM 235 CE1 PHE A 104 12.714 16.368 0.928 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.585 15.237 1.191 1.00 2.65 C ATOM 237 CZ PHE A 104 11.968 15.185 0.977 1.00 2.56 C ATOM 0 H PHE A 104 8.999 17.603 3.226 1.00 0.68 H new ATOM 0 HA PHE A 104 11.115 19.706 3.227 1.00 0.79 H new ATOM 0 HB2 PHE A 104 8.966 18.917 1.182 1.00 0.94 H new ATOM 0 HB3 PHE A 104 10.477 19.740 0.850 1.00 0.94 H new ATOM 0 HD1 PHE A 104 12.654 18.517 1.053 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.882 16.514 1.521 1.00 2.03 H new ATOM 0 HE1 PHE A 104 13.781 16.327 0.764 1.00 1.86 H new ATOM 0 HE2 PHE A 104 10.009 14.324 1.229 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.459 14.232 0.850 1.00 2.56 H new ATOM 247 N ASP A 105 8.010 20.628 2.699 1.00 0.61 N ATOM 248 CA ASP A 105 7.084 21.777 2.933 1.00 0.60 C ATOM 249 C ASP A 105 7.861 23.098 2.931 1.00 0.56 C ATOM 250 O ASP A 105 7.802 23.866 3.871 1.00 0.63 O ATOM 251 CB ASP A 105 6.469 21.513 4.307 1.00 0.68 C ATOM 252 CG ASP A 105 4.979 21.854 4.274 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.564 22.512 3.335 1.00 0.84 O ATOM 254 OD2 ASP A 105 4.278 21.451 5.187 1.00 1.45 O ATOM 0 H ASP A 105 7.634 19.884 2.111 1.00 0.61 H new ATOM 0 HA ASP A 105 6.324 21.861 2.156 1.00 0.60 H new ATOM 0 HB2 ASP A 105 6.608 20.468 4.584 1.00 0.68 H new ATOM 0 HB3 ASP A 105 6.973 22.113 5.064 1.00 0.68 H new ATOM 259 N LYS A 106 8.594 23.360 1.884 1.00 0.59 N ATOM 260 CA LYS A 106 9.385 24.623 1.815 1.00 0.66 C ATOM 261 C LYS A 106 8.579 25.800 2.371 1.00 0.55 C ATOM 262 O LYS A 106 9.103 26.645 3.070 1.00 0.63 O ATOM 263 CB LYS A 106 9.670 24.828 0.328 1.00 0.87 C ATOM 264 CG LYS A 106 11.156 24.587 0.055 1.00 1.21 C ATOM 265 CD LYS A 106 11.994 25.448 1.002 1.00 1.61 C ATOM 266 CE LYS A 106 12.857 24.545 1.886 1.00 1.77 C ATOM 267 NZ LYS A 106 14.068 24.255 1.070 1.00 2.14 N ATOM 0 H LYS A 106 8.680 22.752 1.070 1.00 0.59 H new ATOM 0 HA LYS A 106 10.298 24.564 2.407 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.065 24.144 -0.267 1.00 0.87 H new ATOM 0 HB3 LYS A 106 9.394 25.840 0.030 1.00 0.87 H new ATOM 0 HG2 LYS A 106 11.396 23.533 0.196 1.00 1.21 H new ATOM 0 HG3 LYS A 106 11.391 24.832 -0.981 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.627 26.126 0.430 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.343 26.065 1.621 1.00 1.61 H new ATOM 0 HE2 LYS A 106 13.120 25.041 2.820 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.329 23.628 2.149 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 14.710 23.640 1.609 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.787 23.777 0.190 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.553 25.146 0.840 1.00 2.14 H new ATOM 281 N ASN A 107 7.313 25.869 2.064 1.00 0.48 N ATOM 282 CA ASN A 107 6.489 27.001 2.575 1.00 0.50 C ATOM 283 C ASN A 107 5.889 26.653 3.940 1.00 0.58 C ATOM 284 O ASN A 107 5.542 27.523 4.715 1.00 0.70 O ATOM 285 CB ASN A 107 5.385 27.193 1.535 1.00 0.54 C ATOM 286 CG ASN A 107 4.342 28.173 2.073 1.00 0.70 C ATOM 287 OD1 ASN A 107 4.684 29.191 2.642 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.074 27.907 1.916 1.00 0.78 N ATOM 0 H ASN A 107 6.815 25.194 1.484 1.00 0.48 H new ATOM 0 HA ASN A 107 7.079 27.907 2.713 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.809 27.571 0.605 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.916 26.236 1.306 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.370 28.554 2.271 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.787 27.052 1.438 1.00 0.78 H new ATOM 295 N ALA A 108 5.764 25.390 4.242 1.00 0.65 N ATOM 296 CA ALA A 108 5.187 24.995 5.559 1.00 0.84 C ATOM 297 C ALA A 108 3.786 25.591 5.727 1.00 0.78 C ATOM 298 O ALA A 108 3.614 26.639 6.317 1.00 0.96 O ATOM 299 CB ALA A 108 6.144 25.576 6.600 1.00 1.03 C ATOM 0 H ALA A 108 6.035 24.616 3.636 1.00 0.65 H new ATOM 0 HA ALA A 108 5.084 23.914 5.656 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.788 25.328 7.600 1.00 1.03 H new ATOM 0 HB2 ALA A 108 7.139 25.155 6.454 1.00 1.03 H new ATOM 0 HB3 ALA A 108 6.188 26.659 6.489 1.00 1.03 H new ATOM 305 N ASP A 109 2.784 24.930 5.218 1.00 0.73 N ATOM 306 CA ASP A 109 1.396 25.459 5.353 1.00 0.74 C ATOM 307 C ASP A 109 0.385 24.310 5.281 1.00 0.78 C ATOM 308 O ASP A 109 -0.785 24.514 5.025 1.00 0.96 O ATOM 309 CB ASP A 109 1.219 26.418 4.173 1.00 0.72 C ATOM 310 CG ASP A 109 0.981 25.622 2.888 1.00 1.15 C ATOM 311 OD1 ASP A 109 1.349 24.459 2.859 1.00 1.66 O ATOM 312 OD2 ASP A 109 0.434 26.188 1.956 1.00 1.95 O ATOM 0 H ASP A 109 2.865 24.047 4.714 1.00 0.73 H new ATOM 0 HA ASP A 109 1.233 25.961 6.307 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.378 27.086 4.359 1.00 0.72 H new ATOM 0 HB3 ASP A 109 2.105 27.044 4.065 1.00 0.72 H new ATOM 317 N GLY A 110 0.830 23.103 5.505 1.00 0.76 N ATOM 318 CA GLY A 110 -0.101 21.942 5.450 1.00 0.85 C ATOM 319 C GLY A 110 -0.173 21.412 4.018 1.00 0.70 C ATOM 320 O GLY A 110 -0.617 20.307 3.776 1.00 0.73 O ATOM 0 H GLY A 110 1.799 22.872 5.724 1.00 0.76 H new ATOM 0 HA2 GLY A 110 0.241 21.156 6.123 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -1.093 22.242 5.788 1.00 0.85 H new ATOM 324 N TYR A 111 0.261 22.190 3.065 1.00 0.68 N ATOM 325 CA TYR A 111 0.215 21.726 1.648 1.00 0.60 C ATOM 326 C TYR A 111 1.492 22.143 0.913 1.00 0.58 C ATOM 327 O TYR A 111 2.327 22.845 1.449 1.00 0.83 O ATOM 328 CB TYR A 111 -1.008 22.420 1.043 1.00 0.68 C ATOM 329 CG TYR A 111 -2.171 22.315 2.001 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.322 23.259 3.024 1.00 0.71 C ATOM 331 CD2 TYR A 111 -3.097 21.273 1.868 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.399 23.161 3.914 1.00 0.78 C ATOM 333 CE2 TYR A 111 -4.172 21.174 2.759 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.323 22.119 3.782 1.00 0.80 C ATOM 335 OH TYR A 111 -5.384 22.022 4.659 1.00 0.90 O ATOM 0 H TYR A 111 0.645 23.125 3.205 1.00 0.68 H new ATOM 0 HA TYR A 111 0.146 20.641 1.570 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.783 23.467 0.841 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -1.266 21.960 0.089 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.608 24.063 3.127 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -2.982 20.546 1.078 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.516 23.890 4.702 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -4.885 20.369 2.658 1.00 0.83 H new ATOM 0 HH TYR A 111 -5.931 21.243 4.426 1.00 0.90 H new ATOM 345 N ILE A 112 1.653 21.715 -0.309 1.00 0.50 N ATOM 346 CA ILE A 112 2.878 22.085 -1.075 1.00 0.50 C ATOM 347 C ILE A 112 2.490 22.669 -2.437 1.00 0.49 C ATOM 348 O ILE A 112 1.560 22.218 -3.076 1.00 0.66 O ATOM 349 CB ILE A 112 3.649 20.771 -1.237 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.440 20.490 0.043 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.620 20.875 -2.416 1.00 0.58 C ATOM 352 CD1 ILE A 112 5.165 19.150 -0.087 1.00 0.66 C ATOM 0 H ILE A 112 0.989 21.125 -0.811 1.00 0.50 H new ATOM 0 HA ILE A 112 3.477 22.844 -0.571 1.00 0.50 H new ATOM 0 HB ILE A 112 2.943 19.962 -1.424 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.160 21.289 0.221 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.768 20.470 0.901 1.00 0.62 H new ATOM 0 HG21 ILE A 112 5.164 19.936 -2.523 1.00 0.58 H new ATOM 0 HG22 ILE A 112 4.062 21.078 -3.330 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.327 21.685 -2.235 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.728 18.951 0.825 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.436 18.355 -0.244 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.849 19.187 -0.935 1.00 0.66 H new ATOM 364 N ASP A 113 3.194 23.674 -2.883 1.00 0.47 N ATOM 365 CA ASP A 113 2.863 24.290 -4.201 1.00 0.50 C ATOM 366 C ASP A 113 3.987 24.035 -5.210 1.00 0.50 C ATOM 367 O ASP A 113 5.064 23.593 -4.860 1.00 0.57 O ATOM 368 CB ASP A 113 2.728 25.786 -3.915 1.00 0.60 C ATOM 369 CG ASP A 113 1.371 26.282 -4.419 1.00 1.17 C ATOM 370 OD1 ASP A 113 1.297 26.674 -5.572 1.00 1.85 O ATOM 371 OD2 ASP A 113 0.430 26.261 -3.643 1.00 1.77 O ATOM 0 H ASP A 113 3.983 24.095 -2.393 1.00 0.47 H new ATOM 0 HA ASP A 113 1.954 23.872 -4.633 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.821 25.972 -2.845 1.00 0.60 H new ATOM 0 HB3 ASP A 113 3.532 26.335 -4.405 1.00 0.60 H new ATOM 376 N LEU A 114 3.740 24.313 -6.461 1.00 0.52 N ATOM 377 CA LEU A 114 4.785 24.090 -7.502 1.00 0.57 C ATOM 378 C LEU A 114 6.115 24.721 -7.077 1.00 0.63 C ATOM 379 O LEU A 114 7.177 24.214 -7.379 1.00 0.80 O ATOM 380 CB LEU A 114 4.245 24.783 -8.753 1.00 0.62 C ATOM 381 CG LEU A 114 3.441 23.785 -9.587 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.485 24.544 -10.509 1.00 0.91 C ATOM 383 CD2 LEU A 114 4.397 22.938 -10.431 1.00 0.81 C ATOM 0 H LEU A 114 2.857 24.686 -6.809 1.00 0.52 H new ATOM 0 HA LEU A 114 4.979 23.030 -7.666 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.615 25.626 -8.470 1.00 0.62 H new ATOM 0 HB3 LEU A 114 5.069 25.184 -9.343 1.00 0.62 H new ATOM 0 HG LEU A 114 2.869 23.136 -8.924 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.912 23.833 -11.104 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.804 25.148 -9.909 1.00 0.91 H new ATOM 0 HD13 LEU A 114 3.057 25.193 -11.172 1.00 0.91 H new ATOM 0 HD21 LEU A 114 3.824 22.226 -11.026 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.969 23.587 -11.094 1.00 0.81 H new ATOM 0 HD23 LEU A 114 5.079 22.397 -9.775 1.00 0.81 H new ATOM 395 N ASP A 115 6.066 25.826 -6.386 1.00 0.61 N ATOM 396 CA ASP A 115 7.329 26.493 -5.952 1.00 0.71 C ATOM 397 C ASP A 115 8.053 25.648 -4.900 1.00 0.65 C ATOM 398 O ASP A 115 9.266 25.616 -4.845 1.00 0.89 O ATOM 399 CB ASP A 115 6.886 27.827 -5.352 1.00 0.80 C ATOM 400 CG ASP A 115 6.818 28.886 -6.454 1.00 1.17 C ATOM 401 OD1 ASP A 115 7.866 29.367 -6.851 1.00 1.76 O ATOM 402 OD2 ASP A 115 5.719 29.197 -6.882 1.00 1.76 O ATOM 0 H ASP A 115 5.207 26.297 -6.102 1.00 0.61 H new ATOM 0 HA ASP A 115 8.025 26.625 -6.780 1.00 0.71 H new ATOM 0 HB2 ASP A 115 5.911 27.718 -4.877 1.00 0.80 H new ATOM 0 HB3 ASP A 115 7.585 28.139 -4.576 1.00 0.80 H new ATOM 407 N GLU A 116 7.320 24.969 -4.060 1.00 0.51 N ATOM 408 CA GLU A 116 7.972 24.134 -3.010 1.00 0.48 C ATOM 409 C GLU A 116 8.582 22.873 -3.630 1.00 0.49 C ATOM 410 O GLU A 116 9.716 22.527 -3.363 1.00 0.63 O ATOM 411 CB GLU A 116 6.847 23.763 -2.042 1.00 0.48 C ATOM 412 CG GLU A 116 6.125 25.031 -1.586 1.00 0.57 C ATOM 413 CD GLU A 116 5.225 24.701 -0.394 1.00 0.60 C ATOM 414 OE1 GLU A 116 5.672 23.972 0.475 1.00 1.36 O ATOM 415 OE2 GLU A 116 4.105 25.183 -0.370 1.00 1.19 O ATOM 0 H GLU A 116 6.300 24.956 -4.055 1.00 0.51 H new ATOM 0 HA GLU A 116 8.783 24.664 -2.511 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.144 23.087 -2.528 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.254 23.234 -1.180 1.00 0.48 H new ATOM 0 HG2 GLU A 116 6.850 25.796 -1.308 1.00 0.57 H new ATOM 0 HG3 GLU A 116 5.530 25.438 -2.404 1.00 0.57 H new ATOM 422 N LEU A 117 7.839 22.182 -4.450 1.00 0.48 N ATOM 423 CA LEU A 117 8.379 20.943 -5.080 1.00 0.52 C ATOM 424 C LEU A 117 9.642 21.260 -5.889 1.00 0.58 C ATOM 425 O LEU A 117 10.555 20.463 -5.965 1.00 0.69 O ATOM 426 CB LEU A 117 7.259 20.445 -5.995 1.00 0.55 C ATOM 427 CG LEU A 117 5.974 20.282 -5.181 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.784 20.792 -5.994 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.765 18.804 -4.846 1.00 0.53 C ATOM 0 H LEU A 117 6.882 22.421 -4.711 1.00 0.48 H new ATOM 0 HA LEU A 117 8.663 20.194 -4.341 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.099 21.151 -6.810 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.539 19.494 -6.447 1.00 0.55 H new ATOM 0 HG LEU A 117 6.056 20.856 -4.258 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.869 20.675 -5.413 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.931 21.846 -6.232 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.702 20.219 -6.918 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.849 18.688 -4.266 1.00 0.53 H new ATOM 0 HD22 LEU A 117 5.685 18.230 -5.769 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.612 18.440 -4.264 1.00 0.53 H new ATOM 441 N LYS A 118 9.703 22.416 -6.491 1.00 0.59 N ATOM 442 CA LYS A 118 10.912 22.775 -7.290 1.00 0.69 C ATOM 443 C LYS A 118 12.132 22.910 -6.374 1.00 0.64 C ATOM 444 O LYS A 118 13.132 22.244 -6.554 1.00 0.73 O ATOM 445 CB LYS A 118 10.579 24.120 -7.938 1.00 0.83 C ATOM 446 CG LYS A 118 11.828 24.676 -8.626 1.00 0.99 C ATOM 447 CD LYS A 118 11.423 25.750 -9.638 1.00 1.35 C ATOM 448 CE LYS A 118 12.486 26.851 -9.670 1.00 1.51 C ATOM 449 NZ LYS A 118 13.630 26.260 -10.419 1.00 1.99 N ATOM 0 H LYS A 118 8.971 23.126 -6.465 1.00 0.59 H new ATOM 0 HA LYS A 118 11.154 22.014 -8.032 1.00 0.69 H new ATOM 0 HB2 LYS A 118 9.775 23.997 -8.664 1.00 0.83 H new ATOM 0 HB3 LYS A 118 10.223 24.822 -7.183 1.00 0.83 H new ATOM 0 HG2 LYS A 118 12.506 25.098 -7.884 1.00 0.99 H new ATOM 0 HG3 LYS A 118 12.366 23.873 -9.129 1.00 0.99 H new ATOM 0 HD2 LYS A 118 11.313 25.308 -10.628 1.00 1.35 H new ATOM 0 HD3 LYS A 118 10.455 26.172 -9.368 1.00 1.35 H new ATOM 0 HE2 LYS A 118 12.111 27.747 -10.164 1.00 1.51 H new ATOM 0 HE3 LYS A 118 12.782 27.143 -8.663 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 14.478 26.262 -9.816 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 13.400 25.283 -10.690 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 13.812 26.822 -11.275 1.00 1.99 H new ATOM 463 N ILE A 119 12.056 23.766 -5.391 1.00 0.68 N ATOM 464 CA ILE A 119 13.211 23.943 -4.464 1.00 0.74 C ATOM 465 C ILE A 119 13.269 22.782 -3.467 1.00 0.75 C ATOM 466 O ILE A 119 14.269 22.561 -2.814 1.00 0.85 O ATOM 467 CB ILE A 119 12.938 25.260 -3.739 1.00 0.98 C ATOM 468 CG1 ILE A 119 12.988 26.413 -4.744 1.00 1.22 C ATOM 469 CG2 ILE A 119 14.000 25.480 -2.660 1.00 1.08 C ATOM 470 CD1 ILE A 119 11.604 27.056 -4.853 1.00 1.06 C ATOM 0 H ILE A 119 11.245 24.350 -5.190 1.00 0.68 H new ATOM 0 HA ILE A 119 14.166 23.958 -4.990 1.00 0.74 H new ATOM 0 HB ILE A 119 11.952 25.222 -3.275 1.00 0.98 H new ATOM 0 HG12 ILE A 119 13.721 27.155 -4.427 1.00 1.22 H new ATOM 0 HG13 ILE A 119 13.308 26.046 -5.719 1.00 1.22 H new ATOM 0 HG21 ILE A 119 13.805 26.420 -2.143 1.00 1.08 H new ATOM 0 HG22 ILE A 119 13.967 24.659 -1.944 1.00 1.08 H new ATOM 0 HG23 ILE A 119 14.986 25.519 -3.123 1.00 1.08 H new ATOM 0 HD11 ILE A 119 11.640 27.877 -5.569 1.00 1.06 H new ATOM 0 HD12 ILE A 119 10.883 26.312 -5.190 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.302 27.438 -3.878 1.00 1.06 H new ATOM 482 N MET A 120 12.202 22.039 -3.348 1.00 0.85 N ATOM 483 CA MET A 120 12.195 20.892 -2.395 1.00 1.01 C ATOM 484 C MET A 120 13.223 19.844 -2.828 1.00 0.95 C ATOM 485 O MET A 120 14.117 19.492 -2.084 1.00 1.11 O ATOM 486 CB MET A 120 10.778 20.321 -2.477 1.00 1.17 C ATOM 487 CG MET A 120 10.755 18.917 -1.868 1.00 1.52 C ATOM 488 SD MET A 120 9.046 18.449 -1.495 1.00 1.88 S ATOM 489 CE MET A 120 9.184 16.702 -1.947 1.00 1.43 C ATOM 0 H MET A 120 11.336 22.176 -3.869 1.00 0.85 H new ATOM 0 HA MET A 120 12.455 21.192 -1.380 1.00 1.01 H new ATOM 0 HB2 MET A 120 10.082 20.970 -1.946 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.450 20.283 -3.516 1.00 1.17 H new ATOM 0 HG2 MET A 120 11.196 18.201 -2.561 1.00 1.52 H new ATOM 0 HG3 MET A 120 11.356 18.893 -0.959 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.338 16.152 -1.536 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.186 16.606 -3.033 1.00 1.43 H new ATOM 0 HE3 MET A 120 10.112 16.294 -1.545 1.00 1.43 H new ATOM 499 N LEU A 121 13.104 19.345 -4.029 1.00 0.87 N ATOM 500 CA LEU A 121 14.076 18.322 -4.510 1.00 0.95 C ATOM 501 C LEU A 121 15.429 18.978 -4.796 1.00 0.87 C ATOM 502 O LEU A 121 16.433 18.312 -4.950 1.00 0.97 O ATOM 503 CB LEU A 121 13.463 17.770 -5.798 1.00 1.09 C ATOM 504 CG LEU A 121 12.900 16.371 -5.539 1.00 1.41 C ATOM 505 CD1 LEU A 121 14.048 15.406 -5.235 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.948 16.421 -4.342 1.00 1.80 C ATOM 0 H LEU A 121 12.377 19.601 -4.697 1.00 0.87 H new ATOM 0 HA LEU A 121 14.252 17.537 -3.775 1.00 0.95 H new ATOM 0 HB2 LEU A 121 12.672 18.432 -6.149 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.217 17.730 -6.584 1.00 1.09 H new ATOM 0 HG LEU A 121 12.361 16.027 -6.422 1.00 1.41 H new ATOM 0 HD11 LEU A 121 13.647 14.410 -5.051 1.00 2.03 H new ATOM 0 HD12 LEU A 121 14.729 15.371 -6.085 1.00 2.03 H new ATOM 0 HD13 LEU A 121 14.587 15.749 -4.352 1.00 2.03 H new ATOM 0 HD21 LEU A 121 11.545 15.425 -4.155 1.00 1.80 H new ATOM 0 HD22 LEU A 121 12.489 16.765 -3.461 1.00 1.80 H new ATOM 0 HD23 LEU A 121 11.130 17.109 -4.556 1.00 1.80 H new ATOM 518 N GLN A 122 15.462 20.281 -4.869 1.00 0.82 N ATOM 519 CA GLN A 122 16.749 20.982 -5.145 1.00 0.95 C ATOM 520 C GLN A 122 17.880 20.356 -4.326 1.00 1.04 C ATOM 521 O GLN A 122 19.004 20.257 -4.776 1.00 1.19 O ATOM 522 CB GLN A 122 16.514 22.428 -4.708 1.00 1.14 C ATOM 523 CG GLN A 122 17.438 23.356 -5.498 1.00 1.42 C ATOM 524 CD GLN A 122 16.805 24.745 -5.596 1.00 1.85 C ATOM 525 OE1 GLN A 122 16.912 25.570 -4.590 1.00 2.44 O flip ATOM 526 NE2 GLN A 122 16.208 25.084 -6.598 1.00 2.28 N flip ATOM 0 H GLN A 122 14.653 20.891 -4.749 1.00 0.82 H new ATOM 0 HA GLN A 122 17.038 20.912 -6.194 1.00 0.95 H new ATOM 0 HB2 GLN A 122 15.473 22.705 -4.875 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.704 22.532 -3.640 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.410 23.421 -5.009 1.00 1.42 H new ATOM 0 HG3 GLN A 122 17.610 22.952 -6.496 1.00 1.42 H new ATOM 0 HE21 GLN A 122 16.124 24.440 -7.384 1.00 2.28 H new ATOM 0 HE22 GLN A 122 15.791 26.013 -6.653 1.00 2.28 H new ATOM 535 N ALA A 123 17.591 19.935 -3.126 1.00 1.09 N ATOM 536 CA ALA A 123 18.648 19.317 -2.275 1.00 1.33 C ATOM 537 C ALA A 123 19.477 18.326 -3.096 1.00 1.38 C ATOM 538 O ALA A 123 20.624 18.061 -2.793 1.00 1.62 O ATOM 539 CB ALA A 123 17.888 18.591 -1.165 1.00 1.45 C ATOM 0 H ALA A 123 16.667 19.992 -2.697 1.00 1.09 H new ATOM 0 HA ALA A 123 19.342 20.057 -1.877 1.00 1.33 H new ATOM 0 HB1 ALA A 123 18.598 18.108 -0.494 1.00 1.45 H new ATOM 0 HB2 ALA A 123 17.289 19.309 -0.604 1.00 1.45 H new ATOM 0 HB3 ALA A 123 17.234 17.838 -1.604 1.00 1.45 H new ATOM 545 N THR A 124 18.907 17.777 -4.133 1.00 1.29 N ATOM 546 CA THR A 124 19.663 16.803 -4.972 1.00 1.47 C ATOM 547 C THR A 124 20.227 17.498 -6.214 1.00 1.44 C ATOM 548 O THR A 124 21.036 16.946 -6.933 1.00 1.72 O ATOM 549 CB THR A 124 18.636 15.741 -5.371 1.00 1.56 C ATOM 550 OG1 THR A 124 19.311 14.603 -5.889 1.00 2.16 O ATOM 551 CG2 THR A 124 17.698 16.310 -6.438 1.00 1.92 C ATOM 0 H THR A 124 17.951 17.960 -4.436 1.00 1.29 H new ATOM 0 HA THR A 124 20.510 16.371 -4.439 1.00 1.47 H new ATOM 0 HB THR A 124 18.054 15.452 -4.496 1.00 1.56 H new ATOM 0 HG1 THR A 124 18.655 13.921 -6.144 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.967 15.553 -6.721 1.00 1.92 H new ATOM 0 HG22 THR A 124 17.180 17.183 -6.040 1.00 1.92 H new ATOM 0 HG23 THR A 124 18.277 16.601 -7.314 1.00 1.92 H new ATOM 559 N GLY A 125 19.802 18.703 -6.475 1.00 1.26 N ATOM 560 CA GLY A 125 20.311 19.427 -7.674 1.00 1.32 C ATOM 561 C GLY A 125 19.337 19.229 -8.835 1.00 1.26 C ATOM 562 O GLY A 125 19.717 19.253 -9.988 1.00 1.63 O ATOM 0 H GLY A 125 19.125 19.217 -5.911 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.420 20.489 -7.453 1.00 1.32 H new ATOM 0 HA3 GLY A 125 21.299 19.055 -7.946 1.00 1.32 H new ATOM 566 N GLU A 126 18.082 19.031 -8.537 1.00 1.02 N ATOM 567 CA GLU A 126 17.081 18.830 -9.622 1.00 1.08 C ATOM 568 C GLU A 126 17.226 19.921 -10.687 1.00 0.89 C ATOM 569 O GLU A 126 16.624 20.972 -10.599 1.00 0.87 O ATOM 570 CB GLU A 126 15.722 18.936 -8.930 1.00 1.34 C ATOM 571 CG GLU A 126 15.674 20.219 -8.097 1.00 1.45 C ATOM 572 CD GLU A 126 14.531 21.106 -8.593 1.00 1.61 C ATOM 573 OE1 GLU A 126 13.406 20.635 -8.610 1.00 2.16 O ATOM 574 OE2 GLU A 126 14.800 22.242 -8.948 1.00 2.09 O ATOM 0 H GLU A 126 17.707 19.000 -7.589 1.00 1.02 H new ATOM 0 HA GLU A 126 17.209 17.873 -10.129 1.00 1.08 H new ATOM 0 HB2 GLU A 126 14.923 18.941 -9.672 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.558 18.068 -8.291 1.00 1.34 H new ATOM 0 HG2 GLU A 126 15.530 19.977 -7.044 1.00 1.45 H new ATOM 0 HG3 GLU A 126 16.622 20.751 -8.175 1.00 1.45 H new ATOM 581 N THR A 127 18.016 19.675 -11.696 1.00 1.09 N ATOM 582 CA THR A 127 18.192 20.693 -12.770 1.00 1.21 C ATOM 583 C THR A 127 17.552 20.188 -14.062 1.00 1.29 C ATOM 584 O THR A 127 18.163 19.474 -14.832 1.00 1.60 O ATOM 585 CB THR A 127 19.705 20.832 -12.938 1.00 1.57 C ATOM 586 OG1 THR A 127 19.983 21.585 -14.110 1.00 1.91 O ATOM 587 CG2 THR A 127 20.332 19.442 -13.060 1.00 2.18 C ATOM 0 H THR A 127 18.547 18.813 -11.823 1.00 1.09 H new ATOM 0 HA THR A 127 17.724 21.647 -12.527 1.00 1.21 H new ATOM 0 HB THR A 127 20.124 21.344 -12.072 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.953 21.676 -14.218 1.00 1.91 H new ATOM 0 HG21 THR A 127 21.411 19.539 -13.180 1.00 2.18 H new ATOM 0 HG22 THR A 127 20.117 18.866 -12.160 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.915 18.930 -13.927 1.00 2.18 H new ATOM 595 N ILE A 128 16.323 20.547 -14.304 1.00 1.08 N ATOM 596 CA ILE A 128 15.643 20.080 -15.543 1.00 1.20 C ATOM 597 C ILE A 128 14.859 21.229 -16.183 1.00 1.18 C ATOM 598 O ILE A 128 14.655 22.265 -15.582 1.00 1.15 O ATOM 599 CB ILE A 128 14.695 18.967 -15.088 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.711 19.519 -14.045 1.00 1.32 C ATOM 601 CG2 ILE A 128 15.501 17.811 -14.487 1.00 1.62 C ATOM 602 CD1 ILE A 128 14.379 19.610 -12.667 1.00 2.03 C ATOM 0 H ILE A 128 15.760 21.143 -13.698 1.00 1.08 H new ATOM 0 HA ILE A 128 16.352 19.725 -16.291 1.00 1.20 H new ATOM 0 HB ILE A 128 14.135 18.599 -15.947 1.00 1.12 H new ATOM 0 HG12 ILE A 128 13.363 20.505 -14.352 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.834 18.875 -13.988 1.00 1.32 H new ATOM 0 HG21 ILE A 128 14.821 17.022 -14.165 1.00 1.62 H new ATOM 0 HG22 ILE A 128 16.186 17.416 -15.238 1.00 1.62 H new ATOM 0 HG23 ILE A 128 16.070 18.171 -13.630 1.00 1.62 H new ATOM 0 HD11 ILE A 128 13.666 20.003 -11.942 1.00 2.03 H new ATOM 0 HD12 ILE A 128 14.705 18.618 -12.354 1.00 2.03 H new ATOM 0 HD13 ILE A 128 15.242 20.274 -12.724 1.00 2.03 H new ATOM 614 N THR A 129 14.416 21.051 -17.398 1.00 1.34 N ATOM 615 CA THR A 129 13.643 22.132 -18.074 1.00 1.42 C ATOM 616 C THR A 129 12.376 22.447 -17.274 1.00 1.16 C ATOM 617 O THR A 129 11.857 21.612 -16.561 1.00 0.97 O ATOM 618 CB THR A 129 13.285 21.562 -19.448 1.00 1.64 C ATOM 619 OG1 THR A 129 14.436 20.957 -20.019 1.00 2.23 O ATOM 620 CG2 THR A 129 12.794 22.688 -20.359 1.00 2.28 C ATOM 0 H THR A 129 14.556 20.205 -17.951 1.00 1.34 H new ATOM 0 HA THR A 129 14.208 23.060 -18.155 1.00 1.42 H new ATOM 0 HB THR A 129 12.496 20.818 -19.339 1.00 1.64 H new ATOM 0 HG1 THR A 129 14.210 20.589 -20.899 1.00 2.23 H new ATOM 0 HG21 THR A 129 12.540 22.280 -21.337 1.00 2.28 H new ATOM 0 HG22 THR A 129 11.912 23.153 -19.919 1.00 2.28 H new ATOM 0 HG23 THR A 129 13.580 23.435 -20.471 1.00 2.28 H new ATOM 628 N GLU A 130 11.877 23.647 -17.385 1.00 1.31 N ATOM 629 CA GLU A 130 10.646 24.016 -16.627 1.00 1.28 C ATOM 630 C GLU A 130 9.523 23.014 -16.912 1.00 1.16 C ATOM 631 O GLU A 130 8.826 22.580 -16.018 1.00 1.21 O ATOM 632 CB GLU A 130 10.268 25.406 -17.141 1.00 1.69 C ATOM 633 CG GLU A 130 8.915 25.820 -16.557 1.00 2.05 C ATOM 634 CD GLU A 130 9.128 26.511 -15.209 1.00 2.43 C ATOM 635 OE1 GLU A 130 9.628 25.861 -14.305 1.00 2.70 O ATOM 636 OE2 GLU A 130 8.788 27.677 -15.103 1.00 3.03 O ATOM 0 H GLU A 130 12.267 24.388 -17.967 1.00 1.31 H new ATOM 0 HA GLU A 130 10.808 24.008 -15.549 1.00 1.28 H new ATOM 0 HB2 GLU A 130 11.033 26.129 -16.860 1.00 1.69 H new ATOM 0 HB3 GLU A 130 10.219 25.401 -18.230 1.00 1.69 H new ATOM 0 HG2 GLU A 130 8.401 26.492 -17.244 1.00 2.05 H new ATOM 0 HG3 GLU A 130 8.278 24.944 -16.432 1.00 2.05 H new ATOM 643 N ASP A 131 9.340 22.648 -18.151 1.00 1.18 N ATOM 644 CA ASP A 131 8.258 21.678 -18.490 1.00 1.19 C ATOM 645 C ASP A 131 8.426 20.386 -17.685 1.00 1.07 C ATOM 646 O ASP A 131 7.511 19.595 -17.566 1.00 1.14 O ATOM 647 CB ASP A 131 8.427 21.404 -19.985 1.00 1.44 C ATOM 648 CG ASP A 131 7.202 20.651 -20.506 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.148 20.789 -19.908 1.00 2.07 O ATOM 650 OD2 ASP A 131 7.340 19.948 -21.493 1.00 1.91 O ATOM 0 H ASP A 131 9.892 22.978 -18.943 1.00 1.18 H new ATOM 0 HA ASP A 131 7.268 22.068 -18.255 1.00 1.19 H new ATOM 0 HB2 ASP A 131 8.548 22.342 -20.526 1.00 1.44 H new ATOM 0 HB3 ASP A 131 9.329 20.817 -20.159 1.00 1.44 H new ATOM 655 N ASP A 132 9.588 20.164 -17.134 1.00 1.00 N ATOM 656 CA ASP A 132 9.812 18.920 -16.340 1.00 1.03 C ATOM 657 C ASP A 132 9.444 19.153 -14.872 1.00 0.88 C ATOM 658 O ASP A 132 9.366 18.227 -14.089 1.00 1.03 O ATOM 659 CB ASP A 132 11.307 18.629 -16.473 1.00 1.13 C ATOM 660 CG ASP A 132 11.508 17.322 -17.242 1.00 1.39 C ATOM 661 OD1 ASP A 132 10.634 16.974 -18.018 1.00 1.99 O ATOM 662 OD2 ASP A 132 12.533 16.691 -17.040 1.00 1.79 O ATOM 0 H ASP A 132 10.392 20.789 -17.198 1.00 1.00 H new ATOM 0 HA ASP A 132 9.199 18.091 -16.694 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.803 19.449 -16.993 1.00 1.13 H new ATOM 0 HB3 ASP A 132 11.763 18.556 -15.486 1.00 1.13 H new ATOM 667 N ILE A 133 9.223 20.381 -14.492 1.00 0.75 N ATOM 668 CA ILE A 133 8.868 20.668 -13.072 1.00 0.77 C ATOM 669 C ILE A 133 7.346 20.697 -12.895 1.00 0.70 C ATOM 670 O ILE A 133 6.799 20.028 -12.042 1.00 0.82 O ATOM 671 CB ILE A 133 9.466 22.046 -12.781 1.00 0.87 C ATOM 672 CG1 ILE A 133 10.880 22.128 -13.369 1.00 0.96 C ATOM 673 CG2 ILE A 133 9.530 22.261 -11.268 1.00 1.06 C ATOM 674 CD1 ILE A 133 11.597 23.359 -12.812 1.00 1.00 C ATOM 0 H ILE A 133 9.273 21.197 -15.101 1.00 0.75 H new ATOM 0 HA ILE A 133 9.250 19.905 -12.394 1.00 0.77 H new ATOM 0 HB ILE A 133 8.841 22.816 -13.234 1.00 0.87 H new ATOM 0 HG12 ILE A 133 11.440 21.226 -13.123 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.830 22.185 -14.456 1.00 0.96 H new ATOM 0 HG21 ILE A 133 9.956 23.242 -11.058 1.00 1.06 H new ATOM 0 HG22 ILE A 133 8.525 22.204 -10.850 1.00 1.06 H new ATOM 0 HG23 ILE A 133 10.155 21.490 -10.817 1.00 1.06 H new ATOM 0 HD11 ILE A 133 12.602 23.416 -13.231 1.00 1.00 H new ATOM 0 HD12 ILE A 133 11.041 24.257 -13.081 1.00 1.00 H new ATOM 0 HD13 ILE A 133 11.660 23.283 -11.726 1.00 1.00 H new ATOM 686 N GLU A 134 6.660 21.470 -13.692 1.00 0.61 N ATOM 687 CA GLU A 134 5.175 21.543 -13.563 1.00 0.64 C ATOM 688 C GLU A 134 4.550 20.174 -13.845 1.00 0.64 C ATOM 689 O GLU A 134 3.394 19.937 -13.553 1.00 0.76 O ATOM 690 CB GLU A 134 4.736 22.559 -14.618 1.00 0.73 C ATOM 691 CG GLU A 134 5.214 23.955 -14.214 1.00 0.89 C ATOM 692 CD GLU A 134 5.381 24.817 -15.467 1.00 1.21 C ATOM 693 OE1 GLU A 134 4.471 24.828 -16.280 1.00 1.87 O ATOM 694 OE2 GLU A 134 6.415 25.451 -15.592 1.00 1.86 O ATOM 0 H GLU A 134 7.062 22.053 -14.426 1.00 0.61 H new ATOM 0 HA GLU A 134 4.862 21.834 -12.560 1.00 0.64 H new ATOM 0 HB2 GLU A 134 5.148 22.290 -15.591 1.00 0.73 H new ATOM 0 HB3 GLU A 134 3.651 22.550 -14.718 1.00 0.73 H new ATOM 0 HG2 GLU A 134 4.496 24.415 -13.536 1.00 0.89 H new ATOM 0 HG3 GLU A 134 6.160 23.886 -13.678 1.00 0.89 H new ATOM 701 N GLU A 135 5.304 19.271 -14.410 1.00 0.59 N ATOM 702 CA GLU A 135 4.750 17.919 -14.711 1.00 0.67 C ATOM 703 C GLU A 135 4.455 17.165 -13.411 1.00 0.74 C ATOM 704 O GLU A 135 3.371 16.654 -13.213 1.00 0.91 O ATOM 705 CB GLU A 135 5.848 17.211 -15.506 1.00 0.72 C ATOM 706 CG GLU A 135 5.544 17.316 -17.002 1.00 1.16 C ATOM 707 CD GLU A 135 6.778 16.896 -17.803 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.776 16.563 -17.185 1.00 2.29 O ATOM 709 OE2 GLU A 135 6.704 16.916 -19.021 1.00 2.03 O ATOM 0 H GLU A 135 6.279 19.410 -14.676 1.00 0.59 H new ATOM 0 HA GLU A 135 3.813 17.970 -15.266 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.817 17.661 -15.289 1.00 0.72 H new ATOM 0 HB3 GLU A 135 5.909 16.164 -15.209 1.00 0.72 H new ATOM 0 HG2 GLU A 135 4.697 16.679 -17.258 1.00 1.16 H new ATOM 0 HG3 GLU A 135 5.263 18.338 -17.256 1.00 1.16 H new ATOM 716 N LEU A 136 5.411 17.093 -12.526 1.00 0.73 N ATOM 717 CA LEU A 136 5.183 16.372 -11.241 1.00 0.87 C ATOM 718 C LEU A 136 3.883 16.848 -10.590 1.00 0.81 C ATOM 719 O LEU A 136 3.125 16.065 -10.050 1.00 1.00 O ATOM 720 CB LEU A 136 6.384 16.733 -10.368 1.00 0.99 C ATOM 721 CG LEU A 136 7.649 16.110 -10.959 1.00 1.09 C ATOM 722 CD1 LEU A 136 8.878 16.855 -10.439 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.733 14.639 -10.546 1.00 1.75 C ATOM 0 H LEU A 136 6.339 17.502 -12.636 1.00 0.73 H new ATOM 0 HA LEU A 136 5.090 15.295 -11.382 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.492 17.816 -10.310 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.229 16.373 -9.351 1.00 0.99 H new ATOM 0 HG LEU A 136 7.614 16.182 -12.046 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.779 16.410 -10.861 1.00 1.74 H new ATOM 0 HD12 LEU A 136 8.819 17.903 -10.733 1.00 1.74 H new ATOM 0 HD13 LEU A 136 8.913 16.784 -9.352 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.635 14.194 -10.967 1.00 1.75 H new ATOM 0 HD22 LEU A 136 7.767 14.568 -9.459 1.00 1.75 H new ATOM 0 HD23 LEU A 136 6.858 14.106 -10.918 1.00 1.75 H new ATOM 735 N MET A 137 3.616 18.124 -10.636 1.00 0.67 N ATOM 736 CA MET A 137 2.363 18.645 -10.021 1.00 0.71 C ATOM 737 C MET A 137 1.146 17.974 -10.664 1.00 0.68 C ATOM 738 O MET A 137 0.199 17.610 -9.994 1.00 0.70 O ATOM 739 CB MET A 137 2.373 20.148 -10.312 1.00 0.82 C ATOM 740 CG MET A 137 0.960 20.717 -10.158 1.00 0.99 C ATOM 741 SD MET A 137 0.247 20.164 -8.587 1.00 0.94 S ATOM 742 CE MET A 137 1.209 21.249 -7.505 1.00 0.53 C ATOM 0 H MET A 137 4.211 18.828 -11.073 1.00 0.67 H new ATOM 0 HA MET A 137 2.308 18.442 -8.951 1.00 0.71 H new ATOM 0 HB2 MET A 137 3.055 20.655 -9.630 1.00 0.82 H new ATOM 0 HB3 MET A 137 2.740 20.329 -11.322 1.00 0.82 H new ATOM 0 HG2 MET A 137 0.990 21.806 -10.191 1.00 0.99 H new ATOM 0 HG3 MET A 137 0.333 20.390 -10.988 1.00 0.99 H new ATOM 0 HE1 MET A 137 0.743 21.287 -6.520 1.00 0.53 H new ATOM 0 HE2 MET A 137 2.224 20.863 -7.412 1.00 0.53 H new ATOM 0 HE3 MET A 137 1.240 22.252 -7.930 1.00 0.53 H new ATOM 752 N LYS A 138 1.166 17.802 -11.958 1.00 0.76 N ATOM 753 CA LYS A 138 0.011 17.150 -12.639 1.00 0.82 C ATOM 754 C LYS A 138 -0.334 15.836 -11.935 1.00 0.72 C ATOM 755 O LYS A 138 -1.460 15.610 -11.538 1.00 0.84 O ATOM 756 CB LYS A 138 0.487 16.885 -14.068 1.00 0.99 C ATOM 757 CG LYS A 138 -0.314 17.751 -15.042 1.00 1.57 C ATOM 758 CD LYS A 138 -1.799 17.391 -14.946 1.00 2.09 C ATOM 759 CE LYS A 138 -2.627 18.671 -14.822 1.00 2.74 C ATOM 760 NZ LYS A 138 -3.720 18.332 -13.869 1.00 3.43 N ATOM 0 H LYS A 138 1.930 18.084 -12.572 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.886 17.770 -12.621 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.550 17.109 -14.156 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.362 15.831 -14.315 1.00 0.99 H new ATOM 0 HG2 LYS A 138 -0.169 18.806 -14.810 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.043 17.597 -16.060 1.00 1.57 H new ATOM 0 HD2 LYS A 138 -2.106 16.831 -15.829 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -1.973 16.748 -14.084 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -2.022 19.498 -14.451 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -3.027 18.978 -15.789 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -4.341 19.157 -13.746 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -4.273 17.535 -14.244 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -3.310 18.067 -12.951 1.00 3.43 H new ATOM 774 N ASP A 139 0.628 14.970 -11.773 1.00 0.75 N ATOM 775 CA ASP A 139 0.356 13.675 -11.089 1.00 0.78 C ATOM 776 C ASP A 139 0.149 13.912 -9.591 1.00 0.70 C ATOM 777 O ASP A 139 -0.610 13.220 -8.941 1.00 0.81 O ATOM 778 CB ASP A 139 1.606 12.827 -11.328 1.00 0.97 C ATOM 779 CG ASP A 139 1.412 11.972 -12.581 1.00 1.16 C ATOM 780 OD1 ASP A 139 0.442 12.199 -13.286 1.00 1.66 O ATOM 781 OD2 ASP A 139 2.237 11.104 -12.815 1.00 1.69 O ATOM 0 H ASP A 139 1.590 15.103 -12.085 1.00 0.75 H new ATOM 0 HA ASP A 139 -0.543 13.187 -11.466 1.00 0.78 H new ATOM 0 HB2 ASP A 139 2.478 13.471 -11.446 1.00 0.97 H new ATOM 0 HB3 ASP A 139 1.795 12.188 -10.465 1.00 0.97 H new ATOM 786 N GLY A 140 0.818 14.888 -9.041 1.00 0.64 N ATOM 787 CA GLY A 140 0.661 15.175 -7.587 1.00 0.62 C ATOM 788 C GLY A 140 -0.716 15.792 -7.337 1.00 0.57 C ATOM 789 O GLY A 140 -1.260 15.701 -6.254 1.00 0.65 O ATOM 0 H GLY A 140 1.467 15.500 -9.536 1.00 0.64 H new ATOM 0 HA2 GLY A 140 0.771 14.257 -7.010 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.443 15.857 -7.253 1.00 0.62 H new ATOM 793 N ASP A 141 -1.285 16.417 -8.331 1.00 0.56 N ATOM 794 CA ASP A 141 -2.629 17.037 -8.151 1.00 0.56 C ATOM 795 C ASP A 141 -3.406 17.009 -9.467 1.00 0.58 C ATOM 796 O ASP A 141 -3.773 18.037 -10.000 1.00 0.64 O ATOM 797 CB ASP A 141 -2.355 18.480 -7.728 1.00 0.60 C ATOM 798 CG ASP A 141 -3.285 18.857 -6.574 1.00 0.75 C ATOM 799 OD1 ASP A 141 -3.420 18.058 -5.663 1.00 1.23 O ATOM 800 OD2 ASP A 141 -3.848 19.939 -6.621 1.00 1.14 O ATOM 0 H ASP A 141 -0.878 16.525 -9.260 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.228 16.503 -7.413 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.315 18.589 -7.422 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.512 19.153 -8.571 1.00 0.60 H new ATOM 805 N LYS A 142 -3.664 15.845 -9.996 1.00 0.62 N ATOM 806 CA LYS A 142 -4.424 15.768 -11.274 1.00 0.70 C ATOM 807 C LYS A 142 -5.696 16.612 -11.163 1.00 0.79 C ATOM 808 O LYS A 142 -6.243 17.068 -12.147 1.00 0.92 O ATOM 809 CB LYS A 142 -4.766 14.288 -11.448 1.00 0.79 C ATOM 810 CG LYS A 142 -3.747 13.636 -12.385 1.00 0.88 C ATOM 811 CD LYS A 142 -4.439 12.561 -13.226 1.00 1.37 C ATOM 812 CE LYS A 142 -4.859 13.159 -14.572 1.00 1.79 C ATOM 813 NZ LYS A 142 -3.768 12.794 -15.522 1.00 2.44 N ATOM 0 H LYS A 142 -3.383 14.948 -9.600 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.858 16.148 -12.124 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.760 13.786 -10.480 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.771 14.181 -11.856 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -3.301 14.389 -13.034 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -2.936 13.194 -11.806 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -3.766 11.718 -13.384 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.312 12.177 -12.698 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -5.817 12.756 -14.900 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -4.975 14.241 -14.503 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -3.989 13.171 -16.466 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -2.869 13.197 -15.189 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -3.685 11.759 -15.574 1.00 2.44 H new ATOM 827 N ASN A 143 -6.163 16.828 -9.963 1.00 0.80 N ATOM 828 CA ASN A 143 -7.393 17.648 -9.771 1.00 0.95 C ATOM 829 C ASN A 143 -7.089 19.119 -10.081 1.00 0.92 C ATOM 830 O ASN A 143 -7.980 19.939 -10.185 1.00 1.08 O ATOM 831 CB ASN A 143 -7.758 17.458 -8.294 1.00 1.07 C ATOM 832 CG ASN A 143 -8.597 18.641 -7.801 1.00 1.36 C ATOM 833 OD1 ASN A 143 -9.529 19.057 -8.460 1.00 1.95 O ATOM 834 ND2 ASN A 143 -8.303 19.203 -6.659 1.00 1.70 N ATOM 0 H ASN A 143 -5.744 16.470 -9.105 1.00 0.80 H new ATOM 0 HA ASN A 143 -8.210 17.351 -10.429 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.314 16.529 -8.166 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -6.851 17.371 -7.696 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -8.856 19.991 -6.321 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -7.521 18.854 -6.105 1.00 1.70 H new ATOM 841 N ASN A 144 -5.836 19.456 -10.228 1.00 0.86 N ATOM 842 CA ASN A 144 -5.473 20.871 -10.532 1.00 0.93 C ATOM 843 C ASN A 144 -6.162 21.817 -9.547 1.00 1.03 C ATOM 844 O ASN A 144 -7.171 22.422 -9.852 1.00 1.71 O ATOM 845 CB ASN A 144 -5.978 21.110 -11.952 1.00 1.08 C ATOM 846 CG ASN A 144 -5.108 22.166 -12.635 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.608 23.164 -13.115 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.817 21.987 -12.701 1.00 1.97 N ATOM 0 H ASN A 144 -5.048 18.813 -10.151 1.00 0.86 H new ATOM 0 HA ASN A 144 -4.402 21.052 -10.445 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -5.951 20.180 -12.520 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -7.017 21.440 -11.929 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.228 22.685 -13.155 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -3.397 21.149 -12.298 1.00 1.97 H new ATOM 855 N ASP A 145 -5.625 21.947 -8.366 1.00 0.88 N ATOM 856 CA ASP A 145 -6.246 22.851 -7.356 1.00 0.92 C ATOM 857 C ASP A 145 -5.271 23.975 -6.988 1.00 0.91 C ATOM 858 O ASP A 145 -5.668 25.029 -6.533 1.00 1.07 O ATOM 859 CB ASP A 145 -6.524 21.949 -6.149 1.00 0.93 C ATOM 860 CG ASP A 145 -6.682 22.800 -4.888 1.00 1.40 C ATOM 861 OD1 ASP A 145 -7.450 23.748 -4.927 1.00 1.89 O ATOM 862 OD2 ASP A 145 -6.032 22.487 -3.903 1.00 2.06 O ATOM 0 H ASP A 145 -4.781 21.466 -8.055 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.153 23.332 -7.721 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -7.429 21.366 -6.320 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -5.707 21.239 -6.019 1.00 0.93 H new ATOM 867 N GLY A 146 -4.000 23.756 -7.181 1.00 0.84 N ATOM 868 CA GLY A 146 -3.003 24.809 -6.840 1.00 0.92 C ATOM 869 C GLY A 146 -2.205 24.375 -5.610 1.00 0.66 C ATOM 870 O GLY A 146 -1.247 25.014 -5.222 1.00 0.74 O ATOM 0 H GLY A 146 -3.609 22.894 -7.560 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.332 24.976 -7.682 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.509 25.754 -6.644 1.00 0.92 H new ATOM 874 N ARG A 147 -2.593 23.294 -4.990 1.00 0.56 N ATOM 875 CA ARG A 147 -1.857 22.822 -3.783 1.00 0.54 C ATOM 876 C ARG A 147 -1.926 21.296 -3.689 1.00 0.46 C ATOM 877 O ARG A 147 -2.951 20.695 -3.940 1.00 0.45 O ATOM 878 CB ARG A 147 -2.579 23.466 -2.600 1.00 0.77 C ATOM 879 CG ARG A 147 -1.670 24.513 -1.954 1.00 1.39 C ATOM 880 CD ARG A 147 -2.302 25.899 -2.100 1.00 1.79 C ATOM 881 NE ARG A 147 -3.376 25.945 -1.070 1.00 2.55 N ATOM 882 CZ ARG A 147 -3.069 25.968 0.200 1.00 2.87 C ATOM 883 NH1 ARG A 147 -1.818 25.952 0.575 1.00 3.10 N ATOM 884 NH2 ARG A 147 -4.016 26.010 1.097 1.00 3.37 N ATOM 0 H ARG A 147 -3.388 22.718 -5.267 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.801 23.092 -3.810 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -3.506 23.931 -2.936 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.851 22.705 -1.869 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -1.520 24.279 -0.900 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -0.688 24.498 -2.426 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -1.566 26.687 -1.938 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -2.709 26.043 -3.101 1.00 1.79 H new ATOM 0 HE ARG A 147 -4.355 25.959 -1.357 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -1.076 25.921 -0.124 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -1.583 25.970 1.567 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -4.994 26.025 0.806 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -3.779 26.028 2.089 1.00 3.37 H new ATOM 898 N ILE A 148 -0.842 20.665 -3.330 1.00 0.49 N ATOM 899 CA ILE A 148 -0.849 19.179 -3.223 1.00 0.44 C ATOM 900 C ILE A 148 -1.271 18.752 -1.815 1.00 0.46 C ATOM 901 O ILE A 148 -0.529 18.892 -0.863 1.00 0.63 O ATOM 902 CB ILE A 148 0.592 18.758 -3.507 1.00 0.46 C ATOM 903 CG1 ILE A 148 1.065 19.429 -4.801 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.657 17.237 -3.660 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.329 18.735 -5.314 1.00 0.63 C ATOM 0 H ILE A 148 0.047 21.113 -3.107 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.552 18.716 -3.915 1.00 0.44 H new ATOM 0 HB ILE A 148 1.236 19.063 -2.682 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.280 19.378 -5.555 1.00 0.56 H new ATOM 0 HG13 ILE A 148 1.267 20.485 -4.621 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.685 16.935 -3.863 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.315 16.764 -2.740 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.018 16.927 -4.487 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.660 19.216 -6.234 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.115 18.809 -4.562 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.113 17.685 -5.511 1.00 0.63 H new ATOM 917 N ASP A 149 -2.461 18.235 -1.677 1.00 0.48 N ATOM 918 CA ASP A 149 -2.938 17.802 -0.333 1.00 0.53 C ATOM 919 C ASP A 149 -2.398 16.409 0.000 1.00 0.53 C ATOM 920 O ASP A 149 -1.985 15.668 -0.870 1.00 0.63 O ATOM 921 CB ASP A 149 -4.462 17.771 -0.447 1.00 0.58 C ATOM 922 CG ASP A 149 -4.991 19.196 -0.620 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.447 19.913 -1.443 1.00 1.84 O ATOM 924 OD2 ASP A 149 -5.932 19.546 0.073 1.00 1.65 O ATOM 0 H ASP A 149 -3.125 18.093 -2.438 1.00 0.48 H new ATOM 0 HA ASP A 149 -2.600 18.470 0.459 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.761 17.155 -1.295 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.895 17.317 0.445 1.00 0.58 H new ATOM 929 N TYR A 150 -2.401 16.047 1.253 1.00 0.58 N ATOM 930 CA TYR A 150 -1.891 14.702 1.642 1.00 0.60 C ATOM 931 C TYR A 150 -2.548 13.622 0.777 1.00 0.59 C ATOM 932 O TYR A 150 -1.880 12.822 0.153 1.00 0.63 O ATOM 933 CB TYR A 150 -2.294 14.537 3.109 1.00 0.73 C ATOM 934 CG TYR A 150 -2.186 13.084 3.504 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.957 12.561 3.925 1.00 1.22 C ATOM 936 CD2 TYR A 150 -3.315 12.258 3.450 1.00 1.15 C ATOM 937 CE1 TYR A 150 -0.858 11.213 4.292 1.00 1.56 C ATOM 938 CE2 TYR A 150 -3.216 10.911 3.816 1.00 1.43 C ATOM 939 CZ TYR A 150 -1.988 10.388 4.237 1.00 1.48 C ATOM 940 OH TYR A 150 -1.890 9.060 4.598 1.00 1.96 O ATOM 0 H TYR A 150 -2.735 16.625 2.025 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.814 14.609 1.504 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -1.650 15.146 3.744 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -3.314 14.890 3.258 1.00 0.73 H new ATOM 0 HD1 TYR A 150 -0.085 13.197 3.967 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -4.263 12.661 3.126 1.00 1.15 H new ATOM 0 HE1 TYR A 150 0.090 10.810 4.617 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -4.088 10.275 3.774 1.00 1.43 H new ATOM 0 HH TYR A 150 -2.765 8.630 4.503 1.00 1.96 H new ATOM 950 N ASP A 151 -3.852 13.595 0.736 1.00 0.64 N ATOM 951 CA ASP A 151 -4.552 12.569 -0.088 1.00 0.70 C ATOM 952 C ASP A 151 -3.970 12.542 -1.504 1.00 0.63 C ATOM 953 O ASP A 151 -3.671 11.495 -2.042 1.00 0.77 O ATOM 954 CB ASP A 151 -6.014 13.016 -0.115 1.00 0.79 C ATOM 955 CG ASP A 151 -6.783 12.192 -1.149 1.00 1.24 C ATOM 956 OD1 ASP A 151 -6.457 11.028 -1.313 1.00 1.83 O ATOM 957 OD2 ASP A 151 -7.687 12.739 -1.759 1.00 1.90 O ATOM 0 H ASP A 151 -4.463 14.239 1.238 1.00 0.64 H new ATOM 0 HA ASP A 151 -4.441 11.564 0.319 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -6.462 12.890 0.871 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -6.076 14.076 -0.361 1.00 0.79 H new ATOM 962 N GLU A 152 -3.806 13.686 -2.110 1.00 0.54 N ATOM 963 CA GLU A 152 -3.242 13.724 -3.490 1.00 0.56 C ATOM 964 C GLU A 152 -1.742 13.422 -3.455 1.00 0.52 C ATOM 965 O GLU A 152 -1.186 12.885 -4.392 1.00 0.65 O ATOM 966 CB GLU A 152 -3.494 15.149 -3.983 1.00 0.60 C ATOM 967 CG GLU A 152 -4.970 15.309 -4.350 1.00 0.77 C ATOM 968 CD GLU A 152 -5.361 16.786 -4.267 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.803 17.480 -3.434 1.00 1.40 O ATOM 970 OE2 GLU A 152 -6.213 17.198 -5.038 1.00 1.17 O ATOM 0 H GLU A 152 -4.038 14.595 -1.710 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.699 12.982 -4.145 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -3.221 15.866 -3.209 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.868 15.361 -4.850 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -5.148 14.931 -5.357 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.589 14.720 -3.674 1.00 0.77 H new ATOM 977 N PHE A 153 -1.082 13.761 -2.380 1.00 0.46 N ATOM 978 CA PHE A 153 0.381 13.488 -2.289 1.00 0.46 C ATOM 979 C PHE A 153 0.651 11.998 -2.506 1.00 0.50 C ATOM 980 O PHE A 153 1.723 11.604 -2.921 1.00 0.64 O ATOM 981 CB PHE A 153 0.775 13.905 -0.871 1.00 0.49 C ATOM 982 CG PHE A 153 2.269 13.764 -0.699 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.135 14.225 -1.698 1.00 0.62 C ATOM 984 CD2 PHE A 153 2.788 13.172 0.459 1.00 0.52 C ATOM 985 CE1 PHE A 153 4.520 14.094 -1.539 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.173 13.041 0.618 1.00 0.61 C ATOM 987 CZ PHE A 153 5.039 13.502 -0.381 1.00 0.68 C ATOM 0 H PHE A 153 -1.492 14.214 -1.563 1.00 0.46 H new ATOM 0 HA PHE A 153 0.952 14.029 -3.044 1.00 0.46 H new ATOM 0 HB2 PHE A 153 0.473 14.936 -0.687 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.254 13.285 -0.141 1.00 0.49 H new ATOM 0 HD1 PHE A 153 2.735 14.682 -2.591 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.120 12.816 1.230 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.188 14.450 -2.310 1.00 0.73 H new ATOM 0 HE2 PHE A 153 4.573 12.584 1.511 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.107 13.401 -0.258 1.00 0.68 H new ATOM 997 N LEU A 154 -0.317 11.166 -2.230 1.00 0.53 N ATOM 998 CA LEU A 154 -0.119 9.700 -2.421 1.00 0.62 C ATOM 999 C LEU A 154 -0.243 9.338 -3.902 1.00 0.65 C ATOM 1000 O LEU A 154 0.598 8.657 -4.455 1.00 0.83 O ATOM 1001 CB LEU A 154 -1.234 9.044 -1.607 1.00 0.75 C ATOM 1002 CG LEU A 154 -1.171 9.550 -0.166 1.00 0.91 C ATOM 1003 CD1 LEU A 154 -2.121 8.731 0.709 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.259 9.404 0.357 1.00 1.20 C ATOM 0 H LEU A 154 -1.236 11.438 -1.881 1.00 0.53 H new ATOM 0 HA LEU A 154 0.868 9.368 -2.099 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -2.205 9.277 -2.044 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.126 7.960 -1.629 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.468 10.598 -0.135 1.00 0.91 H new ATOM 0 HD11 LEU A 154 -2.074 9.094 1.736 1.00 1.65 H new ATOM 0 HD12 LEU A 154 -3.140 8.833 0.334 1.00 1.65 H new ATOM 0 HD13 LEU A 154 -1.828 7.682 0.681 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.309 9.764 1.385 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.553 8.355 0.325 1.00 1.20 H new ATOM 0 HD23 LEU A 154 0.936 9.989 -0.266 1.00 1.20 H new ATOM 1016 N GLU A 155 -1.282 9.789 -4.553 1.00 0.69 N ATOM 1017 CA GLU A 155 -1.443 9.467 -5.999 1.00 0.81 C ATOM 1018 C GLU A 155 -0.125 9.723 -6.732 1.00 0.76 C ATOM 1019 O GLU A 155 0.194 9.069 -7.705 1.00 0.90 O ATOM 1020 CB GLU A 155 -2.533 10.413 -6.502 1.00 0.97 C ATOM 1021 CG GLU A 155 -3.882 10.005 -5.905 1.00 1.41 C ATOM 1022 CD GLU A 155 -4.412 8.769 -6.636 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.723 8.286 -7.519 1.00 2.77 O ATOM 1024 OE2 GLU A 155 -5.499 8.328 -6.300 1.00 2.57 O ATOM 0 H GLU A 155 -2.022 10.363 -4.148 1.00 0.69 H new ATOM 0 HA GLU A 155 -1.710 8.424 -6.168 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.295 11.439 -6.222 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -2.581 10.382 -7.590 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -3.771 9.792 -4.842 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -4.594 10.826 -5.993 1.00 1.41 H new ATOM 1031 N PHE A 156 0.645 10.668 -6.266 1.00 0.66 N ATOM 1032 CA PHE A 156 1.946 10.965 -6.928 1.00 0.77 C ATOM 1033 C PHE A 156 2.863 9.743 -6.847 1.00 0.71 C ATOM 1034 O PHE A 156 3.426 9.311 -7.833 1.00 0.88 O ATOM 1035 CB PHE A 156 2.539 12.131 -6.138 1.00 0.84 C ATOM 1036 CG PHE A 156 3.939 12.411 -6.628 1.00 1.01 C ATOM 1037 CD1 PHE A 156 5.029 11.751 -6.046 1.00 1.49 C ATOM 1038 CD2 PHE A 156 4.149 13.329 -7.664 1.00 1.09 C ATOM 1039 CE1 PHE A 156 6.328 12.010 -6.501 1.00 1.72 C ATOM 1040 CE2 PHE A 156 5.447 13.588 -8.118 1.00 1.31 C ATOM 1041 CZ PHE A 156 6.537 12.929 -7.536 1.00 1.53 C ATOM 0 H PHE A 156 0.429 11.247 -5.455 1.00 0.66 H new ATOM 0 HA PHE A 156 1.827 11.210 -7.984 1.00 0.77 H new ATOM 0 HB2 PHE A 156 1.917 13.018 -6.256 1.00 0.84 H new ATOM 0 HB3 PHE A 156 2.555 11.893 -5.075 1.00 0.84 H new ATOM 0 HD1 PHE A 156 4.868 11.043 -5.247 1.00 1.49 H new ATOM 0 HD2 PHE A 156 3.309 13.838 -8.113 1.00 1.09 H new ATOM 0 HE1 PHE A 156 7.169 11.501 -6.053 1.00 1.72 H new ATOM 0 HE2 PHE A 156 5.608 14.296 -8.917 1.00 1.31 H new ATOM 0 HZ PHE A 156 7.539 13.130 -7.886 1.00 1.53 H new ATOM 1051 N MET A 157 3.015 9.181 -5.678 1.00 0.61 N ATOM 1052 CA MET A 157 3.894 7.985 -5.538 1.00 0.69 C ATOM 1053 C MET A 157 3.427 6.878 -6.487 1.00 0.83 C ATOM 1054 O MET A 157 4.205 6.057 -6.929 1.00 1.17 O ATOM 1055 CB MET A 157 3.740 7.543 -4.082 1.00 0.84 C ATOM 1056 CG MET A 157 3.945 8.744 -3.156 1.00 0.92 C ATOM 1057 SD MET A 157 5.466 8.516 -2.202 1.00 1.56 S ATOM 1058 CE MET A 157 6.377 9.918 -2.893 1.00 0.90 C ATOM 0 H MET A 157 2.570 9.497 -4.816 1.00 0.61 H new ATOM 0 HA MET A 157 4.932 8.204 -5.787 1.00 0.69 H new ATOM 0 HB2 MET A 157 2.750 7.114 -3.924 1.00 0.84 H new ATOM 0 HB3 MET A 157 4.466 6.764 -3.849 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.004 9.662 -3.741 1.00 0.92 H new ATOM 0 HG3 MET A 157 3.093 8.848 -2.484 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.366 9.970 -2.437 1.00 0.90 H new ATOM 0 HE2 MET A 157 6.481 9.789 -3.970 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.834 10.841 -2.688 1.00 0.90 H new ATOM 1068 N LYS A 158 2.160 6.850 -6.801 1.00 0.86 N ATOM 1069 CA LYS A 158 1.642 5.796 -7.720 1.00 1.07 C ATOM 1070 C LYS A 158 2.106 6.067 -9.154 1.00 1.36 C ATOM 1071 O LYS A 158 2.091 5.192 -9.996 1.00 1.73 O ATOM 1072 CB LYS A 158 0.120 5.896 -7.618 1.00 1.28 C ATOM 1073 CG LYS A 158 -0.434 4.620 -6.984 1.00 1.66 C ATOM 1074 CD LYS A 158 -1.746 4.934 -6.265 1.00 2.24 C ATOM 1075 CE LYS A 158 -2.043 3.836 -5.242 1.00 2.85 C ATOM 1076 NZ LYS A 158 -2.787 4.520 -4.149 1.00 3.52 N ATOM 0 H LYS A 158 1.461 7.511 -6.461 1.00 0.86 H new ATOM 0 HA LYS A 158 2.003 4.802 -7.455 1.00 1.07 H new ATOM 0 HB2 LYS A 158 -0.159 6.763 -7.019 1.00 1.28 H new ATOM 0 HB3 LYS A 158 -0.313 6.040 -8.608 1.00 1.28 H new ATOM 0 HG2 LYS A 158 -0.600 3.863 -7.751 1.00 1.66 H new ATOM 0 HG3 LYS A 158 0.289 4.208 -6.280 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -1.678 5.901 -5.767 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -2.560 5.004 -6.986 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -2.637 3.036 -5.683 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -1.124 3.383 -4.871 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -3.027 3.831 -3.408 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.194 5.272 -3.744 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -3.661 4.935 -4.531 1.00 3.52 H new