USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 91:sc= -0.411 USER MOD Set 1.2: A 31 SER OG : rot 180:sc= 0.00243 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.923 K(o=-0.92,f=-10!) USER MOD Set 2.2: A 19 SER OG : rot -170:sc= 0 USER MOD Single : A 2 SER OG : rot 28:sc= 0.121 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.2) USER MOD Single : A 16 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.232) USER MOD Single : A 26 THR OG1 : rot -150:sc= -2.46 USER MOD Single : A 27 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.3!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 33 SER OG : rot -62:sc= 0.00331 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 43 SER OG : rot 71:sc= 0.177 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.114) USER MOD Single : A 46 SER OG : rot 39:sc= 0.809! USER MOD Single : A 49 THR OG1 : rot -82:sc= -0.502 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= -1.37 (180deg=-1.4) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0963) USER MOD Single : B 257 SER OG : rot 34:sc= 0.171 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 262 SER OG : rot 86:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 122.981 -1.955 -0.413 1.00 0.00 N ATOM 45 CA SER A 2 123.243 -0.850 0.557 1.00 0.00 C ATOM 46 C SER A 2 122.142 0.210 0.459 1.00 0.00 C ATOM 47 O SER A 2 121.339 0.196 -0.455 1.00 0.00 O ATOM 48 CB SER A 2 124.590 -0.264 0.135 1.00 0.00 C ATOM 49 OG SER A 2 125.598 -1.258 0.270 1.00 0.00 O ATOM 0 HA SER A 2 123.257 -1.200 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.541 0.083 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 2 124.832 0.602 0.751 1.00 0.00 H new ATOM 0 HG SER A 2 125.199 -2.146 0.155 1.00 0.00 H new ATOM 55 N VAL A 3 122.104 1.127 1.396 1.00 0.00 N ATOM 56 CA VAL A 3 121.039 2.185 1.386 1.00 0.00 C ATOM 57 C VAL A 3 121.212 3.102 0.165 1.00 0.00 C ATOM 58 O VAL A 3 120.255 3.672 -0.323 1.00 0.00 O ATOM 59 CB VAL A 3 121.226 2.972 2.691 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.177 4.089 2.788 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.063 2.032 3.890 1.00 0.00 C ATOM 0 H VAL A 3 122.765 1.190 2.170 1.00 0.00 H new ATOM 0 HA VAL A 3 120.039 1.756 1.320 1.00 0.00 H new ATOM 0 HB VAL A 3 122.225 3.409 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.318 4.641 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.289 4.767 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.178 3.652 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.196 2.594 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.066 1.591 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.810 1.240 3.836 1.00 0.00 H new ATOM 71 N ALA A 4 122.424 3.251 -0.328 1.00 0.00 N ATOM 72 CA ALA A 4 122.667 4.158 -1.503 1.00 0.00 C ATOM 73 C ALA A 4 121.766 3.763 -2.680 1.00 0.00 C ATOM 74 O ALA A 4 121.369 4.595 -3.475 1.00 0.00 O ATOM 75 CB ALA A 4 124.140 3.956 -1.872 1.00 0.00 C ATOM 0 H ALA A 4 123.256 2.783 0.033 1.00 0.00 H new ATOM 0 HA ALA A 4 122.444 5.198 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.392 4.587 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.768 4.225 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.310 2.911 -2.132 1.00 0.00 H new ATOM 81 N ASP A 5 121.449 2.496 -2.786 1.00 0.00 N ATOM 82 CA ASP A 5 120.481 2.043 -3.838 1.00 0.00 C ATOM 83 C ASP A 5 119.071 2.557 -3.519 1.00 0.00 C ATOM 84 O ASP A 5 118.283 2.815 -4.411 1.00 0.00 O ATOM 85 CB ASP A 5 120.514 0.512 -3.793 1.00 0.00 C ATOM 86 CG ASP A 5 121.894 0.011 -4.230 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.426 0.552 -5.186 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.396 -0.905 -3.599 1.00 0.00 O ATOM 0 H ASP A 5 121.818 1.754 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 5 120.746 2.424 -4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.293 0.164 -2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 5 119.744 0.103 -4.447 1.00 0.00 H new ATOM 93 N PHE A 6 118.753 2.707 -2.254 1.00 0.00 N ATOM 94 CA PHE A 6 117.383 3.165 -1.862 1.00 0.00 C ATOM 95 C PHE A 6 117.344 4.685 -1.618 1.00 0.00 C ATOM 96 O PHE A 6 116.362 5.203 -1.116 1.00 0.00 O ATOM 97 CB PHE A 6 117.070 2.409 -0.570 1.00 0.00 C ATOM 98 CG PHE A 6 116.965 0.913 -0.756 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.119 0.103 -0.631 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.713 0.322 -1.057 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.022 -1.300 -0.805 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.616 -1.081 -1.231 1.00 0.00 C ATOM 103 CZ PHE A 6 116.771 -1.891 -1.104 1.00 0.00 C ATOM 0 H PHE A 6 119.387 2.531 -1.474 1.00 0.00 H new ATOM 0 HA PHE A 6 116.655 2.967 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 6 117.848 2.622 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.132 2.782 -0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.073 0.554 -0.403 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.833 0.941 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 6 118.902 -1.918 -0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.662 -1.532 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.697 -2.960 -1.235 1.00 0.00 H new ATOM 113 N TYR A 7 118.392 5.405 -1.962 1.00 0.00 N ATOM 114 CA TYR A 7 118.344 6.902 -1.862 1.00 0.00 C ATOM 115 C TYR A 7 117.347 7.465 -2.884 1.00 0.00 C ATOM 116 O TYR A 7 117.301 7.030 -4.019 1.00 0.00 O ATOM 117 CB TYR A 7 119.768 7.377 -2.204 1.00 0.00 C ATOM 118 CG TYR A 7 120.710 7.500 -1.014 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.466 6.784 0.189 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.853 8.331 -1.116 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.366 6.904 1.278 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.747 8.451 -0.027 1.00 0.00 C ATOM 123 CZ TYR A 7 122.506 7.737 1.168 1.00 0.00 C ATOM 124 OH TYR A 7 123.387 7.851 2.223 1.00 0.00 O ATOM 0 H TYR A 7 119.273 5.022 -2.305 1.00 0.00 H new ATOM 0 HA TYR A 7 118.026 7.235 -0.874 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.203 6.682 -2.922 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.702 8.347 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.596 6.149 0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.042 8.875 -2.029 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.182 6.360 2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.615 9.089 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 7 124.113 8.462 1.978 1.00 0.00 H new ATOM 134 N GLY A 8 116.554 8.429 -2.482 1.00 0.00 N ATOM 135 CA GLY A 8 115.497 8.977 -3.391 1.00 0.00 C ATOM 136 C GLY A 8 114.239 8.092 -3.358 1.00 0.00 C ATOM 137 O GLY A 8 113.265 8.382 -4.027 1.00 0.00 O ATOM 0 H GLY A 8 116.593 8.862 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.241 9.993 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 8 115.881 9.035 -4.410 1.00 0.00 H new ATOM 141 N SER A 9 114.245 7.019 -2.594 1.00 0.00 N ATOM 142 CA SER A 9 113.032 6.144 -2.515 1.00 0.00 C ATOM 143 C SER A 9 111.966 6.785 -1.622 1.00 0.00 C ATOM 144 O SER A 9 112.259 7.265 -0.542 1.00 0.00 O ATOM 145 CB SER A 9 113.524 4.835 -1.893 1.00 0.00 C ATOM 146 OG SER A 9 112.456 3.896 -1.874 1.00 0.00 O ATOM 0 H SER A 9 115.036 6.715 -2.025 1.00 0.00 H new ATOM 0 HA SER A 9 112.577 5.990 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.362 4.439 -2.466 1.00 0.00 H new ATOM 0 HB3 SER A 9 113.886 5.013 -0.880 1.00 0.00 H new ATOM 0 HG SER A 9 112.767 3.055 -1.478 1.00 0.00 H new ATOM 152 N ASN A 10 110.734 6.796 -2.069 1.00 0.00 N ATOM 153 CA ASN A 10 109.616 7.270 -1.194 1.00 0.00 C ATOM 154 C ASN A 10 109.160 6.130 -0.286 1.00 0.00 C ATOM 155 O ASN A 10 108.739 5.086 -0.751 1.00 0.00 O ATOM 156 CB ASN A 10 108.490 7.671 -2.150 1.00 0.00 C ATOM 157 CG ASN A 10 107.570 8.687 -1.466 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.351 8.621 -0.272 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.017 9.630 -2.178 1.00 0.00 N ATOM 0 H ASN A 10 110.454 6.497 -3.003 1.00 0.00 H new ATOM 0 HA ASN A 10 109.914 8.102 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.908 8.100 -3.061 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.920 6.790 -2.445 1.00 0.00 H new ATOM 0 HD21 ASN A 10 106.402 10.311 -1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.200 9.686 -3.180 1.00 0.00 H new ATOM 166 N VAL A 11 109.241 6.328 1.002 1.00 0.00 N ATOM 167 CA VAL A 11 108.850 5.249 1.958 1.00 0.00 C ATOM 168 C VAL A 11 108.165 5.869 3.176 1.00 0.00 C ATOM 169 O VAL A 11 108.240 7.064 3.393 1.00 0.00 O ATOM 170 CB VAL A 11 110.160 4.543 2.355 1.00 0.00 C ATOM 171 CG1 VAL A 11 110.809 3.918 1.115 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.139 5.546 2.985 1.00 0.00 C ATOM 0 H VAL A 11 109.562 7.193 1.436 1.00 0.00 H new ATOM 0 HA VAL A 11 108.147 4.541 1.519 1.00 0.00 H new ATOM 0 HB VAL A 11 109.928 3.765 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 11 111.735 3.420 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.127 3.191 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.027 4.698 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.060 5.032 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.364 6.334 2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.688 5.984 3.875 1.00 0.00 H new ATOM 182 N GLU A 12 107.502 5.066 3.969 1.00 0.00 N ATOM 183 CA GLU A 12 106.877 5.600 5.216 1.00 0.00 C ATOM 184 C GLU A 12 107.640 5.083 6.440 1.00 0.00 C ATOM 185 O GLU A 12 107.833 3.895 6.606 1.00 0.00 O ATOM 186 CB GLU A 12 105.445 5.055 5.200 1.00 0.00 C ATOM 187 CG GLU A 12 104.666 5.587 6.408 1.00 0.00 C ATOM 188 CD GLU A 12 103.275 4.950 6.444 1.00 0.00 C ATOM 189 OE1 GLU A 12 102.656 4.864 5.395 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.851 4.558 7.519 1.00 0.00 O ATOM 0 H GLU A 12 107.367 4.068 3.808 1.00 0.00 H new ATOM 0 HA GLU A 12 106.896 6.689 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 12 104.946 5.350 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.462 3.965 5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.204 5.361 7.329 1.00 0.00 H new ATOM 0 HG3 GLU A 12 104.579 6.672 6.348 1.00 0.00 H new ATOM 197 N VAL A 13 108.072 5.974 7.295 1.00 0.00 N ATOM 198 CA VAL A 13 108.861 5.554 8.492 1.00 0.00 C ATOM 199 C VAL A 13 107.999 5.676 9.754 1.00 0.00 C ATOM 200 O VAL A 13 107.457 6.726 10.044 1.00 0.00 O ATOM 201 CB VAL A 13 110.050 6.528 8.553 1.00 0.00 C ATOM 202 CG1 VAL A 13 110.966 6.156 9.724 1.00 0.00 C ATOM 203 CG2 VAL A 13 110.851 6.455 7.245 1.00 0.00 C ATOM 0 H VAL A 13 107.912 6.978 7.215 1.00 0.00 H new ATOM 0 HA VAL A 13 109.192 4.517 8.428 1.00 0.00 H new ATOM 0 HB VAL A 13 109.670 7.540 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.807 6.849 9.763 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.405 6.213 10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.339 5.141 9.586 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.692 7.147 7.294 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.224 5.441 7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.207 6.726 6.408 1.00 0.00 H new ATOM 213 N LEU A 14 107.875 4.608 10.501 1.00 0.00 N ATOM 214 CA LEU A 14 107.148 4.677 11.804 1.00 0.00 C ATOM 215 C LEU A 14 108.158 4.880 12.938 1.00 0.00 C ATOM 216 O LEU A 14 109.126 4.150 13.051 1.00 0.00 O ATOM 217 CB LEU A 14 106.442 3.322 11.938 1.00 0.00 C ATOM 218 CG LEU A 14 105.601 3.293 13.219 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.348 4.149 13.032 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.189 1.851 13.523 1.00 0.00 C ATOM 0 H LEU A 14 108.247 3.689 10.263 1.00 0.00 H new ATOM 0 HA LEU A 14 106.438 5.503 11.850 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.805 3.147 11.071 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.179 2.519 11.959 1.00 0.00 H new ATOM 0 HG LEU A 14 106.189 3.689 14.047 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.752 4.126 13.945 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.639 5.177 12.814 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.759 3.755 12.204 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.591 1.828 14.434 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.602 1.458 12.693 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.081 1.239 13.659 1.00 0.00 H new ATOM 232 N LEU A 15 107.936 5.862 13.775 1.00 0.00 N ATOM 233 CA LEU A 15 108.949 6.204 14.821 1.00 0.00 C ATOM 234 C LEU A 15 108.600 5.544 16.161 1.00 0.00 C ATOM 235 O LEU A 15 107.523 5.004 16.339 1.00 0.00 O ATOM 236 CB LEU A 15 108.898 7.728 14.941 1.00 0.00 C ATOM 237 CG LEU A 15 109.417 8.363 13.648 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.107 9.862 13.657 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.931 8.159 13.550 1.00 0.00 C ATOM 0 H LEU A 15 107.097 6.442 13.780 1.00 0.00 H new ATOM 0 HA LEU A 15 109.943 5.846 14.553 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.876 8.054 15.133 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.501 8.057 15.787 1.00 0.00 H new ATOM 0 HG LEU A 15 108.930 7.894 12.793 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.476 10.315 12.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.029 10.010 13.728 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.595 10.329 14.513 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.300 8.611 12.629 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.417 8.628 14.405 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.155 7.092 13.545 1.00 0.00 H new ATOM 251 N ASN A 16 109.515 5.588 17.104 1.00 0.00 N ATOM 252 CA ASN A 16 109.300 4.913 18.432 1.00 0.00 C ATOM 253 C ASN A 16 108.035 5.434 19.134 1.00 0.00 C ATOM 254 O ASN A 16 107.474 4.768 19.986 1.00 0.00 O ATOM 255 CB ASN A 16 110.551 5.241 19.267 1.00 0.00 C ATOM 256 CG ASN A 16 110.723 6.761 19.407 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.849 7.439 19.909 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.820 7.322 18.980 1.00 0.00 N ATOM 0 H ASN A 16 110.411 6.067 17.011 1.00 0.00 H new ATOM 0 HA ASN A 16 109.157 3.840 18.307 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.466 4.787 20.254 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.434 4.812 18.794 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.944 8.331 19.067 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.554 6.752 18.559 1.00 0.00 H new ATOM 265 N ASN A 17 107.587 6.616 18.782 1.00 0.00 N ATOM 266 CA ASN A 17 106.400 7.215 19.470 1.00 0.00 C ATOM 267 C ASN A 17 105.101 6.880 18.714 1.00 0.00 C ATOM 268 O ASN A 17 104.115 7.584 18.833 1.00 0.00 O ATOM 269 CB ASN A 17 106.660 8.732 19.480 1.00 0.00 C ATOM 270 CG ASN A 17 106.723 9.288 18.048 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.889 8.547 17.098 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.595 10.572 17.855 1.00 0.00 N ATOM 0 H ASN A 17 107.994 7.193 18.046 1.00 0.00 H new ATOM 0 HA ASN A 17 106.274 6.822 20.479 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.870 9.237 20.036 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.597 8.941 19.997 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.634 10.952 16.909 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.456 11.196 18.650 1.00 0.00 H new ATOM 279 N ASP A 18 105.097 5.815 17.932 1.00 0.00 N ATOM 280 CA ASP A 18 103.847 5.365 17.223 1.00 0.00 C ATOM 281 C ASP A 18 103.314 6.478 16.309 1.00 0.00 C ATOM 282 O ASP A 18 102.129 6.553 16.043 1.00 0.00 O ATOM 283 CB ASP A 18 102.824 5.031 18.321 1.00 0.00 C ATOM 284 CG ASP A 18 103.340 3.868 19.173 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.881 2.934 18.603 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.184 3.931 20.381 1.00 0.00 O ATOM 0 H ASP A 18 105.916 5.234 17.754 1.00 0.00 H new ATOM 0 HA ASP A 18 104.043 4.500 16.590 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.652 5.905 18.949 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.867 4.768 17.871 1.00 0.00 H new ATOM 291 N SER A 19 104.183 7.342 15.828 1.00 0.00 N ATOM 292 CA SER A 19 103.760 8.354 14.814 1.00 0.00 C ATOM 293 C SER A 19 104.321 7.971 13.443 1.00 0.00 C ATOM 294 O SER A 19 105.404 7.426 13.340 1.00 0.00 O ATOM 295 CB SER A 19 104.363 9.673 15.294 1.00 0.00 C ATOM 296 OG SER A 19 103.882 9.961 16.600 1.00 0.00 O ATOM 0 H SER A 19 105.166 7.386 16.097 1.00 0.00 H new ATOM 0 HA SER A 19 102.677 8.421 14.713 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.451 9.608 15.301 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.096 10.479 14.610 1.00 0.00 H new ATOM 0 HG SER A 19 104.137 10.874 16.849 1.00 0.00 H new ATOM 302 N LYS A 20 103.591 8.253 12.391 1.00 0.00 N ATOM 303 CA LYS A 20 104.041 7.840 11.027 1.00 0.00 C ATOM 304 C LYS A 20 104.462 9.060 10.206 1.00 0.00 C ATOM 305 O LYS A 20 103.875 10.121 10.310 1.00 0.00 O ATOM 306 CB LYS A 20 102.813 7.181 10.396 1.00 0.00 C ATOM 307 CG LYS A 20 102.560 5.826 11.057 1.00 0.00 C ATOM 308 CD LYS A 20 101.324 5.176 10.432 1.00 0.00 C ATOM 309 CE LYS A 20 101.019 3.857 11.149 1.00 0.00 C ATOM 310 NZ LYS A 20 101.861 2.841 10.460 1.00 0.00 N ATOM 0 H LYS A 20 102.702 8.752 12.419 1.00 0.00 H new ATOM 0 HA LYS A 20 104.902 7.172 11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.941 7.824 10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.968 7.051 9.325 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.428 5.179 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.413 5.954 12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.470 5.849 10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.494 4.994 9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.263 3.919 12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 20 99.961 3.605 11.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 102.076 2.065 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 101.348 2.466 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 102.748 3.282 10.144 1.00 0.00 H new ATOM 324 N ALA A 21 105.478 8.910 9.391 1.00 0.00 N ATOM 325 CA ALA A 21 105.904 10.032 8.497 1.00 0.00 C ATOM 326 C ALA A 21 106.588 9.475 7.245 1.00 0.00 C ATOM 327 O ALA A 21 107.556 8.745 7.335 1.00 0.00 O ATOM 328 CB ALA A 21 106.888 10.854 9.330 1.00 0.00 C ATOM 0 H ALA A 21 106.031 8.057 9.306 1.00 0.00 H new ATOM 0 HA ALA A 21 105.061 10.634 8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.247 11.698 8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.387 11.223 10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.732 10.228 9.618 1.00 0.00 H new ATOM 334 N ARG A 22 106.092 9.820 6.079 1.00 0.00 N ATOM 335 CA ARG A 22 106.658 9.253 4.813 1.00 0.00 C ATOM 336 C ARG A 22 107.227 10.370 3.937 1.00 0.00 C ATOM 337 O ARG A 22 106.729 11.479 3.938 1.00 0.00 O ATOM 338 CB ARG A 22 105.485 8.547 4.113 1.00 0.00 C ATOM 339 CG ARG A 22 104.356 9.545 3.812 1.00 0.00 C ATOM 340 CD ARG A 22 103.289 8.867 2.947 1.00 0.00 C ATOM 341 NE ARG A 22 102.626 7.876 3.851 1.00 0.00 N ATOM 342 CZ ARG A 22 101.755 8.251 4.769 1.00 0.00 C ATOM 343 NH1 ARG A 22 101.443 9.516 4.947 1.00 0.00 N ATOM 344 NH2 ARG A 22 101.194 7.347 5.523 1.00 0.00 N ATOM 0 H ARG A 22 105.318 10.471 5.950 1.00 0.00 H new ATOM 0 HA ARG A 22 107.477 8.561 5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.830 8.089 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.108 7.743 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 22 103.913 9.900 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.756 10.418 3.296 1.00 0.00 H new ATOM 0 HD2 ARG A 22 102.572 9.593 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 22 103.736 8.375 2.083 1.00 0.00 H new ATOM 0 HE ARG A 22 102.853 6.886 3.755 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.877 10.235 4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.766 9.778 5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 22 101.430 6.362 5.400 1.00 0.00 H new ATOM 0 HH22 ARG A 22 100.519 7.625 6.236 1.00 0.00 H new ATOM 358 N GLY A 23 108.266 10.077 3.194 1.00 0.00 N ATOM 359 CA GLY A 23 108.934 11.135 2.375 1.00 0.00 C ATOM 360 C GLY A 23 109.972 10.477 1.463 1.00 0.00 C ATOM 361 O GLY A 23 110.256 9.299 1.590 1.00 0.00 O ATOM 0 H GLY A 23 108.681 9.148 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.196 11.672 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.414 11.867 3.024 1.00 0.00 H new ATOM 365 N VAL A 24 110.542 11.224 0.545 1.00 0.00 N ATOM 366 CA VAL A 24 111.523 10.622 -0.413 1.00 0.00 C ATOM 367 C VAL A 24 112.943 10.821 0.123 1.00 0.00 C ATOM 368 O VAL A 24 113.393 11.935 0.310 1.00 0.00 O ATOM 369 CB VAL A 24 111.330 11.387 -1.734 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.240 10.794 -2.819 1.00 0.00 C ATOM 371 CG2 VAL A 24 109.872 11.275 -2.195 1.00 0.00 C ATOM 0 H VAL A 24 110.370 12.221 0.419 1.00 0.00 H new ATOM 0 HA VAL A 24 111.370 9.551 -0.550 1.00 0.00 H new ATOM 0 HB VAL A 24 111.585 12.434 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.098 11.340 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.281 10.875 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 24 111.988 9.745 -2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.743 11.819 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.618 10.226 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.216 11.700 -1.435 1.00 0.00 H new ATOM 381 N ILE A 25 113.647 9.745 0.367 1.00 0.00 N ATOM 382 CA ILE A 25 114.976 9.844 1.060 1.00 0.00 C ATOM 383 C ILE A 25 115.975 10.625 0.195 1.00 0.00 C ATOM 384 O ILE A 25 115.974 10.521 -1.015 1.00 0.00 O ATOM 385 CB ILE A 25 115.438 8.387 1.261 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.451 7.659 2.181 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.836 8.354 1.893 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.652 6.147 2.056 1.00 0.00 C ATOM 0 H ILE A 25 113.361 8.798 0.117 1.00 0.00 H new ATOM 0 HA ILE A 25 114.906 10.377 2.009 1.00 0.00 H new ATOM 0 HB ILE A 25 115.474 7.893 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.603 7.972 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.428 7.923 1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.149 7.319 2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.543 8.864 1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.810 8.855 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 25 113.950 5.631 2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.478 5.841 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.672 5.890 2.344 1.00 0.00 H new ATOM 400 N THR A 26 116.821 11.407 0.820 1.00 0.00 N ATOM 401 CA THR A 26 117.838 12.188 0.056 1.00 0.00 C ATOM 402 C THR A 26 119.260 11.835 0.504 1.00 0.00 C ATOM 403 O THR A 26 120.191 11.953 -0.274 1.00 0.00 O ATOM 404 CB THR A 26 117.528 13.655 0.355 1.00 0.00 C ATOM 405 OG1 THR A 26 117.374 13.831 1.753 1.00 0.00 O ATOM 406 CG2 THR A 26 116.237 14.066 -0.357 1.00 0.00 C ATOM 0 H THR A 26 116.849 11.537 1.831 1.00 0.00 H new ATOM 0 HA THR A 26 117.791 11.968 -1.011 1.00 0.00 H new ATOM 0 HB THR A 26 118.349 14.276 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.746 14.564 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.020 15.112 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.357 13.935 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.414 13.444 -0.005 1.00 0.00 H new ATOM 414 N ASN A 27 119.453 11.403 1.737 1.00 0.00 N ATOM 415 CA ASN A 27 120.849 11.082 2.184 1.00 0.00 C ATOM 416 C ASN A 27 120.857 10.188 3.428 1.00 0.00 C ATOM 417 O ASN A 27 119.882 10.085 4.144 1.00 0.00 O ATOM 418 CB ASN A 27 121.486 12.438 2.500 1.00 0.00 C ATOM 419 CG ASN A 27 122.994 12.373 2.239 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.435 11.724 1.312 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.807 13.025 3.024 1.00 0.00 N ATOM 0 H ASN A 27 118.722 11.263 2.434 1.00 0.00 H new ATOM 0 HA ASN A 27 121.392 10.532 1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 27 121.034 13.215 1.884 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.298 12.705 3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.813 12.990 2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.437 13.570 3.803 1.00 0.00 H new ATOM 428 N PHE A 28 121.973 9.540 3.670 1.00 0.00 N ATOM 429 CA PHE A 28 122.196 8.830 4.968 1.00 0.00 C ATOM 430 C PHE A 28 123.693 8.829 5.294 1.00 0.00 C ATOM 431 O PHE A 28 124.513 8.448 4.478 1.00 0.00 O ATOM 432 CB PHE A 28 121.686 7.399 4.759 1.00 0.00 C ATOM 433 CG PHE A 28 121.889 6.505 5.962 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.174 6.753 7.160 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.802 5.422 5.895 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.370 5.918 8.287 1.00 0.00 C ATOM 437 CE2 PHE A 28 122.996 4.589 7.022 1.00 0.00 C ATOM 438 CZ PHE A 28 122.281 4.837 8.218 1.00 0.00 C ATOM 0 H PHE A 28 122.749 9.473 3.012 1.00 0.00 H new ATOM 0 HA PHE A 28 121.677 9.311 5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.624 7.432 4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.196 6.962 3.901 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.480 7.579 7.214 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.349 5.233 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.824 6.106 9.200 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.690 3.763 6.970 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.431 4.201 9.078 1.00 0.00 H new ATOM 448 N ASP A 29 124.047 9.255 6.481 1.00 0.00 N ATOM 449 CA ASP A 29 125.488 9.320 6.863 1.00 0.00 C ATOM 450 C ASP A 29 125.831 8.106 7.717 1.00 0.00 C ATOM 451 O ASP A 29 125.134 7.805 8.660 1.00 0.00 O ATOM 452 CB ASP A 29 125.625 10.608 7.676 1.00 0.00 C ATOM 453 CG ASP A 29 127.104 10.886 7.951 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.595 10.421 8.966 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.721 11.560 7.142 1.00 0.00 O ATOM 0 H ASP A 29 123.396 9.561 7.204 1.00 0.00 H new ATOM 0 HA ASP A 29 126.158 9.318 6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.183 11.442 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 29 125.081 10.516 8.616 1.00 0.00 H new ATOM 460 N SER A 30 126.891 7.409 7.395 1.00 0.00 N ATOM 461 CA SER A 30 127.220 6.155 8.146 1.00 0.00 C ATOM 462 C SER A 30 127.651 6.481 9.579 1.00 0.00 C ATOM 463 O SER A 30 127.167 5.892 10.527 1.00 0.00 O ATOM 464 CB SER A 30 128.371 5.506 7.374 1.00 0.00 C ATOM 465 OG SER A 30 129.531 6.320 7.492 1.00 0.00 O ATOM 0 H SER A 30 127.542 7.651 6.648 1.00 0.00 H new ATOM 0 HA SER A 30 126.358 5.492 8.220 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.571 4.509 7.766 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.100 5.388 6.325 1.00 0.00 H new ATOM 0 HG SER A 30 130.053 6.034 8.271 1.00 0.00 H new ATOM 471 N SER A 31 128.553 7.421 9.740 1.00 0.00 N ATOM 472 CA SER A 31 129.119 7.706 11.102 1.00 0.00 C ATOM 473 C SER A 31 128.011 8.119 12.080 1.00 0.00 C ATOM 474 O SER A 31 127.977 7.672 13.211 1.00 0.00 O ATOM 475 CB SER A 31 130.103 8.859 10.899 1.00 0.00 C ATOM 476 OG SER A 31 131.049 8.499 9.900 1.00 0.00 O ATOM 0 H SER A 31 128.923 8.004 8.989 1.00 0.00 H new ATOM 0 HA SER A 31 129.600 6.825 11.527 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.568 9.761 10.601 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.614 9.086 11.835 1.00 0.00 H new ATOM 0 HG SER A 31 131.680 9.237 9.766 1.00 0.00 H new ATOM 482 N ASN A 32 127.111 8.968 11.648 1.00 0.00 N ATOM 483 CA ASN A 32 126.023 9.446 12.559 1.00 0.00 C ATOM 484 C ASN A 32 124.678 8.769 12.240 1.00 0.00 C ATOM 485 O ASN A 32 123.723 8.919 12.979 1.00 0.00 O ATOM 486 CB ASN A 32 125.932 10.952 12.302 1.00 0.00 C ATOM 487 CG ASN A 32 127.216 11.636 12.777 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.794 11.249 13.774 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.691 12.646 12.101 1.00 0.00 N ATOM 0 H ASN A 32 127.082 9.351 10.703 1.00 0.00 H new ATOM 0 HA ASN A 32 126.242 9.208 13.600 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.780 11.141 11.239 1.00 0.00 H new ATOM 0 HB3 ASN A 32 125.072 11.369 12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.546 13.109 12.409 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.208 12.972 11.264 1.00 0.00 H new ATOM 496 N SER A 33 124.589 8.025 11.150 1.00 0.00 N ATOM 497 CA SER A 33 123.270 7.438 10.715 1.00 0.00 C ATOM 498 C SER A 33 122.171 8.513 10.693 1.00 0.00 C ATOM 499 O SER A 33 121.237 8.481 11.476 1.00 0.00 O ATOM 500 CB SER A 33 122.953 6.342 11.736 1.00 0.00 C ATOM 501 OG SER A 33 123.787 5.216 11.492 1.00 0.00 O ATOM 0 H SER A 33 125.377 7.800 10.543 1.00 0.00 H new ATOM 0 HA SER A 33 123.321 7.037 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.113 6.715 12.748 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.904 6.054 11.664 1.00 0.00 H new ATOM 0 HG SER A 33 123.597 4.855 10.601 1.00 0.00 H new ATOM 507 N ILE A 34 122.284 9.463 9.795 1.00 0.00 N ATOM 508 CA ILE A 34 121.310 10.603 9.775 1.00 0.00 C ATOM 509 C ILE A 34 120.633 10.667 8.406 1.00 0.00 C ATOM 510 O ILE A 34 121.293 10.730 7.388 1.00 0.00 O ATOM 511 CB ILE A 34 122.145 11.872 10.027 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.973 11.731 11.325 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.218 13.091 10.135 1.00 0.00 C ATOM 514 CD1 ILE A 34 122.064 11.577 12.556 1.00 0.00 C ATOM 0 H ILE A 34 123.007 9.499 9.076 1.00 0.00 H new ATOM 0 HA ILE A 34 120.528 10.493 10.526 1.00 0.00 H new ATOM 0 HB ILE A 34 122.830 12.008 9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.631 10.866 11.246 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.611 12.606 11.449 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.814 13.986 10.313 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.659 13.206 9.207 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.523 12.947 10.962 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.678 11.480 13.452 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.424 12.455 12.648 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.445 10.687 12.442 1.00 0.00 H new ATOM 526 N LEU A 35 119.324 10.661 8.378 1.00 0.00 N ATOM 527 CA LEU A 35 118.597 10.485 7.085 1.00 0.00 C ATOM 528 C LEU A 35 117.791 11.736 6.748 1.00 0.00 C ATOM 529 O LEU A 35 116.924 12.148 7.496 1.00 0.00 O ATOM 530 CB LEU A 35 117.662 9.299 7.325 1.00 0.00 C ATOM 531 CG LEU A 35 117.061 8.845 5.995 1.00 0.00 C ATOM 532 CD1 LEU A 35 118.069 7.963 5.258 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.782 8.047 6.261 1.00 0.00 C ATOM 0 H LEU A 35 118.727 10.771 9.197 1.00 0.00 H new ATOM 0 HA LEU A 35 119.277 10.316 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.210 8.478 7.787 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.869 9.582 8.017 1.00 0.00 H new ATOM 0 HG LEU A 35 116.825 9.716 5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.643 7.638 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.981 8.531 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.304 7.091 5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.352 7.722 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 35 116.018 7.175 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 35 115.064 8.675 6.789 1.00 0.00 H new ATOM 545 N GLN A 36 118.079 12.341 5.622 1.00 0.00 N ATOM 546 CA GLN A 36 117.261 13.496 5.157 1.00 0.00 C ATOM 547 C GLN A 36 116.125 12.992 4.268 1.00 0.00 C ATOM 548 O GLN A 36 116.341 12.188 3.382 1.00 0.00 O ATOM 549 CB GLN A 36 118.226 14.365 4.351 1.00 0.00 C ATOM 550 CG GLN A 36 119.260 14.988 5.292 1.00 0.00 C ATOM 551 CD GLN A 36 120.272 15.801 4.480 1.00 0.00 C ATOM 552 OE1 GLN A 36 120.621 15.433 3.376 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.761 16.901 4.985 1.00 0.00 N ATOM 0 H GLN A 36 118.849 12.081 5.005 1.00 0.00 H new ATOM 0 HA GLN A 36 116.810 14.050 5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.726 13.764 3.591 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.677 15.148 3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.764 15.630 6.020 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.773 14.207 5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 36 120.469 17.211 5.912 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.435 17.451 4.453 1.00 0.00 H new ATOM 562 N LEU A 37 114.922 13.459 4.502 1.00 0.00 N ATOM 563 CA LEU A 37 113.775 13.082 3.620 1.00 0.00 C ATOM 564 C LEU A 37 113.205 14.330 2.942 1.00 0.00 C ATOM 565 O LEU A 37 112.821 15.279 3.601 1.00 0.00 O ATOM 566 CB LEU A 37 112.730 12.476 4.562 1.00 0.00 C ATOM 567 CG LEU A 37 113.027 10.992 4.787 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.252 10.496 6.010 1.00 0.00 C ATOM 569 CD2 LEU A 37 112.591 10.193 3.557 1.00 0.00 C ATOM 0 H LEU A 37 114.685 14.088 5.270 1.00 0.00 H new ATOM 0 HA LEU A 37 114.072 12.388 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.737 13.005 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.733 12.596 4.138 1.00 0.00 H new ATOM 0 HG LEU A 37 114.096 10.858 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.463 9.439 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.556 11.064 6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.183 10.631 5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 37 112.802 9.136 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 37 111.522 10.329 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.138 10.544 2.682 1.00 0.00 H new ATOM 581 N ARG A 38 113.148 14.334 1.632 1.00 0.00 N ATOM 582 CA ARG A 38 112.515 15.484 0.911 1.00 0.00 C ATOM 583 C ARG A 38 111.063 15.146 0.563 1.00 0.00 C ATOM 584 O ARG A 38 110.800 14.352 -0.321 1.00 0.00 O ATOM 585 CB ARG A 38 113.341 15.676 -0.366 1.00 0.00 C ATOM 586 CG ARG A 38 114.427 16.729 -0.123 1.00 0.00 C ATOM 587 CD ARG A 38 114.930 17.268 -1.465 1.00 0.00 C ATOM 588 NE ARG A 38 115.419 18.652 -1.172 1.00 0.00 N ATOM 589 CZ ARG A 38 116.572 18.863 -0.565 1.00 0.00 C ATOM 590 NH1 ARG A 38 117.341 17.870 -0.177 1.00 0.00 N ATOM 591 NH2 ARG A 38 116.959 20.090 -0.342 1.00 0.00 N ATOM 0 H ARG A 38 113.511 13.593 1.032 1.00 0.00 H new ATOM 0 HA ARG A 38 112.501 16.389 1.518 1.00 0.00 H new ATOM 0 HB2 ARG A 38 113.796 14.731 -0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 38 112.694 15.989 -1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 38 114.029 17.544 0.481 1.00 0.00 H new ATOM 0 HG3 ARG A 38 115.253 16.291 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 38 115.729 16.644 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 38 114.133 17.281 -2.208 1.00 0.00 H new ATOM 0 HE ARG A 38 114.848 19.451 -1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 38 117.052 16.906 -0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 38 118.227 18.063 0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 38 116.373 20.871 -0.636 1.00 0.00 H new ATOM 0 HH22 ARG A 38 117.848 20.267 0.126 1.00 0.00 H new ATOM 605 N LEU A 39 110.127 15.744 1.254 1.00 0.00 N ATOM 606 CA LEU A 39 108.692 15.379 1.051 1.00 0.00 C ATOM 607 C LEU A 39 108.094 16.155 -0.129 1.00 0.00 C ATOM 608 O LEU A 39 108.525 17.250 -0.450 1.00 0.00 O ATOM 609 CB LEU A 39 108.001 15.755 2.371 1.00 0.00 C ATOM 610 CG LEU A 39 106.589 15.148 2.454 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.629 13.637 2.201 1.00 0.00 C ATOM 612 CD2 LEU A 39 106.038 15.382 3.857 1.00 0.00 C ATOM 0 H LEU A 39 110.294 16.470 1.951 1.00 0.00 H new ATOM 0 HA LEU A 39 108.564 14.323 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.600 15.404 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.939 16.840 2.455 1.00 0.00 H new ATOM 0 HG LEU A 39 105.961 15.620 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.620 13.231 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 39 107.035 13.445 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 39 107.261 13.159 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 39 105.037 14.957 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 39 106.690 14.904 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.993 16.453 4.056 1.00 0.00 H new ATOM 624 N ALA A 40 107.097 15.585 -0.769 1.00 0.00 N ATOM 625 CA ALA A 40 106.563 16.168 -2.046 1.00 0.00 C ATOM 626 C ALA A 40 105.882 17.529 -1.819 1.00 0.00 C ATOM 627 O ALA A 40 105.484 18.182 -2.766 1.00 0.00 O ATOM 628 CB ALA A 40 105.542 15.148 -2.558 1.00 0.00 C ATOM 0 H ALA A 40 106.627 14.735 -0.459 1.00 0.00 H new ATOM 0 HA ALA A 40 107.370 16.350 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.107 15.505 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.037 14.193 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 40 104.753 15.019 -1.817 1.00 0.00 H new ATOM 634 N ASN A 41 105.743 17.965 -0.587 1.00 0.00 N ATOM 635 CA ASN A 41 105.197 19.337 -0.329 1.00 0.00 C ATOM 636 C ASN A 41 106.322 20.388 -0.349 1.00 0.00 C ATOM 637 O ASN A 41 106.225 21.410 0.304 1.00 0.00 O ATOM 638 CB ASN A 41 104.562 19.261 1.063 1.00 0.00 C ATOM 639 CG ASN A 41 103.348 18.330 1.026 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.620 18.299 0.053 1.00 0.00 O ATOM 641 ND2 ASN A 41 103.098 17.563 2.052 1.00 0.00 N ATOM 0 H ASN A 41 105.984 17.431 0.248 1.00 0.00 H new ATOM 0 HA ASN A 41 104.479 19.635 -1.093 1.00 0.00 H new ATOM 0 HB2 ASN A 41 105.291 18.895 1.786 1.00 0.00 H new ATOM 0 HB3 ASN A 41 104.260 20.256 1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 41 102.292 16.938 2.037 1.00 0.00 H new ATOM 0 HD22 ASN A 41 103.709 17.589 2.869 1.00 0.00 H new ATOM 648 N ASP A 42 107.396 20.151 -1.091 1.00 0.00 N ATOM 649 CA ASP A 42 108.491 21.173 -1.233 1.00 0.00 C ATOM 650 C ASP A 42 109.146 21.450 0.127 1.00 0.00 C ATOM 651 O ASP A 42 109.637 22.539 0.367 1.00 0.00 O ATOM 652 CB ASP A 42 107.818 22.445 -1.770 1.00 0.00 C ATOM 653 CG ASP A 42 108.877 23.364 -2.380 1.00 0.00 C ATOM 654 OD1 ASP A 42 109.411 24.185 -1.651 1.00 0.00 O ATOM 655 OD2 ASP A 42 109.137 23.232 -3.564 1.00 0.00 O ATOM 0 H ASP A 42 107.556 19.285 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 42 109.276 20.823 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 42 107.071 22.185 -2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 42 107.295 22.960 -0.964 1.00 0.00 H new ATOM 660 N SER A 43 109.160 20.478 1.019 1.00 0.00 N ATOM 661 CA SER A 43 109.776 20.705 2.363 1.00 0.00 C ATOM 662 C SER A 43 110.857 19.657 2.641 1.00 0.00 C ATOM 663 O SER A 43 110.685 18.486 2.356 1.00 0.00 O ATOM 664 CB SER A 43 108.623 20.559 3.354 1.00 0.00 C ATOM 665 OG SER A 43 107.614 21.512 3.045 1.00 0.00 O ATOM 0 H SER A 43 108.773 19.546 0.871 1.00 0.00 H new ATOM 0 HA SER A 43 110.258 21.680 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 43 108.213 19.550 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.982 20.710 4.372 1.00 0.00 H new ATOM 0 HG SER A 43 107.164 21.254 2.213 1.00 0.00 H new ATOM 671 N THR A 44 111.967 20.077 3.195 1.00 0.00 N ATOM 672 CA THR A 44 113.034 19.105 3.593 1.00 0.00 C ATOM 673 C THR A 44 112.924 18.781 5.087 1.00 0.00 C ATOM 674 O THR A 44 112.471 19.596 5.871 1.00 0.00 O ATOM 675 CB THR A 44 114.369 19.806 3.277 1.00 0.00 C ATOM 676 OG1 THR A 44 115.441 18.938 3.612 1.00 0.00 O ATOM 677 CG2 THR A 44 114.511 21.115 4.072 1.00 0.00 C ATOM 0 H THR A 44 112.182 21.055 3.390 1.00 0.00 H new ATOM 0 HA THR A 44 112.947 18.159 3.059 1.00 0.00 H new ATOM 0 HB THR A 44 114.390 20.045 2.214 1.00 0.00 H new ATOM 0 HG1 THR A 44 116.293 19.378 3.411 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.463 21.587 3.828 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.695 21.789 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.477 20.898 5.140 1.00 0.00 H new ATOM 685 N LYS A 45 113.332 17.602 5.484 1.00 0.00 N ATOM 686 CA LYS A 45 113.279 17.235 6.932 1.00 0.00 C ATOM 687 C LYS A 45 114.409 16.259 7.275 1.00 0.00 C ATOM 688 O LYS A 45 114.482 15.172 6.736 1.00 0.00 O ATOM 689 CB LYS A 45 111.915 16.569 7.123 1.00 0.00 C ATOM 690 CG LYS A 45 111.660 16.337 8.614 1.00 0.00 C ATOM 691 CD LYS A 45 110.320 15.622 8.798 1.00 0.00 C ATOM 692 CE LYS A 45 109.996 15.521 10.291 1.00 0.00 C ATOM 693 NZ LYS A 45 109.413 16.844 10.647 1.00 0.00 N ATOM 0 H LYS A 45 113.700 16.877 4.868 1.00 0.00 H new ATOM 0 HA LYS A 45 113.403 18.101 7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.130 17.198 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.884 15.621 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.465 15.740 9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.652 17.289 9.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.531 16.167 8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.363 14.626 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.292 14.713 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.892 15.314 10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.792 17.155 11.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.660 17.541 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.378 16.762 10.711 1.00 0.00 H new ATOM 707 N SER A 46 115.287 16.645 8.170 1.00 0.00 N ATOM 708 CA SER A 46 116.405 15.739 8.573 1.00 0.00 C ATOM 709 C SER A 46 116.030 14.969 9.843 1.00 0.00 C ATOM 710 O SER A 46 115.727 15.557 10.865 1.00 0.00 O ATOM 711 CB SER A 46 117.591 16.667 8.840 1.00 0.00 C ATOM 712 OG SER A 46 117.316 17.463 9.985 1.00 0.00 O ATOM 0 H SER A 46 115.276 17.551 8.639 1.00 0.00 H new ATOM 0 HA SER A 46 116.632 14.998 7.807 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.497 16.082 8.999 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.771 17.304 7.974 1.00 0.00 H new ATOM 0 HG SER A 46 116.850 16.921 10.656 1.00 0.00 H new ATOM 718 N ILE A 47 116.049 13.660 9.781 1.00 0.00 N ATOM 719 CA ILE A 47 115.708 12.836 10.984 1.00 0.00 C ATOM 720 C ILE A 47 116.807 11.794 11.216 1.00 0.00 C ATOM 721 O ILE A 47 117.249 11.136 10.291 1.00 0.00 O ATOM 722 CB ILE A 47 114.365 12.162 10.656 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.297 13.231 10.387 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.916 11.296 11.840 1.00 0.00 C ATOM 725 CD1 ILE A 47 112.052 12.573 9.786 1.00 0.00 C ATOM 0 H ILE A 47 116.287 13.124 8.946 1.00 0.00 H new ATOM 0 HA ILE A 47 115.633 13.433 11.893 1.00 0.00 H new ATOM 0 HB ILE A 47 114.491 11.539 9.771 1.00 0.00 H new ATOM 0 HG12 ILE A 47 113.039 13.743 11.314 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.687 13.986 9.704 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.964 10.821 11.603 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.666 10.529 12.035 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.798 11.922 12.725 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.295 13.333 9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.316 12.082 8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.658 11.835 10.484 1.00 0.00 H new ATOM 737 N VAL A 48 117.247 11.641 12.441 1.00 0.00 N ATOM 738 CA VAL A 48 118.307 10.625 12.737 1.00 0.00 C ATOM 739 C VAL A 48 117.655 9.242 12.899 1.00 0.00 C ATOM 740 O VAL A 48 116.723 9.068 13.660 1.00 0.00 O ATOM 741 CB VAL A 48 118.974 11.094 14.045 1.00 0.00 C ATOM 742 CG1 VAL A 48 120.127 10.149 14.409 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.514 12.524 13.872 1.00 0.00 C ATOM 0 H VAL A 48 116.920 12.173 13.247 1.00 0.00 H new ATOM 0 HA VAL A 48 119.044 10.537 11.939 1.00 0.00 H new ATOM 0 HB VAL A 48 118.234 11.084 14.845 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.595 10.485 15.334 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.741 9.139 14.544 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.866 10.151 13.608 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.984 12.850 14.800 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.249 12.540 13.067 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.692 13.196 13.626 1.00 0.00 H new ATOM 753 N THR A 49 118.151 8.261 12.182 1.00 0.00 N ATOM 754 CA THR A 49 117.408 6.962 12.025 1.00 0.00 C ATOM 755 C THR A 49 117.130 6.285 13.369 1.00 0.00 C ATOM 756 O THR A 49 116.202 5.509 13.491 1.00 0.00 O ATOM 757 CB THR A 49 118.326 6.079 11.176 1.00 0.00 C ATOM 758 OG1 THR A 49 119.621 6.048 11.759 1.00 0.00 O ATOM 759 CG2 THR A 49 118.412 6.648 9.760 1.00 0.00 C ATOM 0 H THR A 49 119.046 8.302 11.694 1.00 0.00 H new ATOM 0 HA THR A 49 116.433 7.129 11.567 1.00 0.00 H new ATOM 0 HB THR A 49 117.924 5.067 11.134 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.123 6.844 11.484 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.066 6.020 9.155 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.417 6.670 9.316 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.815 7.660 9.798 1.00 0.00 H new ATOM 767 N LYS A 50 117.925 6.563 14.371 1.00 0.00 N ATOM 768 CA LYS A 50 117.761 5.858 15.690 1.00 0.00 C ATOM 769 C LYS A 50 116.337 6.035 16.243 1.00 0.00 C ATOM 770 O LYS A 50 115.878 5.245 17.049 1.00 0.00 O ATOM 771 CB LYS A 50 118.808 6.481 16.632 1.00 0.00 C ATOM 772 CG LYS A 50 118.445 7.937 16.958 1.00 0.00 C ATOM 773 CD LYS A 50 119.579 8.581 17.760 1.00 0.00 C ATOM 774 CE LYS A 50 119.061 9.840 18.462 1.00 0.00 C ATOM 775 NZ LYS A 50 118.794 10.813 17.367 1.00 0.00 N ATOM 0 H LYS A 50 118.682 7.246 14.338 1.00 0.00 H new ATOM 0 HA LYS A 50 117.910 4.783 15.587 1.00 0.00 H new ATOM 0 HB2 LYS A 50 118.867 5.901 17.553 1.00 0.00 H new ATOM 0 HB3 LYS A 50 119.793 6.442 16.166 1.00 0.00 H new ATOM 0 HG2 LYS A 50 118.275 8.495 16.037 1.00 0.00 H new ATOM 0 HG3 LYS A 50 117.517 7.972 17.528 1.00 0.00 H new ATOM 0 HD2 LYS A 50 119.964 7.875 18.495 1.00 0.00 H new ATOM 0 HD3 LYS A 50 120.407 8.836 17.098 1.00 0.00 H new ATOM 0 HE2 LYS A 50 118.156 9.630 19.032 1.00 0.00 H new ATOM 0 HE3 LYS A 50 119.797 10.230 19.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 118.251 11.617 17.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 119.696 11.155 16.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 118.248 10.347 16.614 1.00 0.00 H new ATOM 789 N ASP A 51 115.643 7.061 15.817 1.00 0.00 N ATOM 790 CA ASP A 51 114.220 7.237 16.257 1.00 0.00 C ATOM 791 C ASP A 51 113.263 6.383 15.403 1.00 0.00 C ATOM 792 O ASP A 51 112.065 6.391 15.623 1.00 0.00 O ATOM 793 CB ASP A 51 113.909 8.739 16.107 1.00 0.00 C ATOM 794 CG ASP A 51 114.116 9.212 14.659 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.735 8.492 13.751 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.653 10.293 14.486 1.00 0.00 O ATOM 0 H ASP A 51 115.996 7.782 15.187 1.00 0.00 H new ATOM 0 HA ASP A 51 114.083 6.907 17.287 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.880 8.931 16.411 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.551 9.314 16.775 1.00 0.00 H new ATOM 801 N ILE A 52 113.774 5.649 14.435 1.00 0.00 N ATOM 802 CA ILE A 52 112.886 4.761 13.614 1.00 0.00 C ATOM 803 C ILE A 52 112.530 3.499 14.406 1.00 0.00 C ATOM 804 O ILE A 52 113.395 2.803 14.905 1.00 0.00 O ATOM 805 CB ILE A 52 113.701 4.402 12.358 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.035 5.681 11.576 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.884 3.463 11.459 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.014 5.356 10.443 1.00 0.00 C ATOM 0 H ILE A 52 114.762 5.628 14.181 1.00 0.00 H new ATOM 0 HA ILE A 52 111.949 5.252 13.352 1.00 0.00 H new ATOM 0 HB ILE A 52 114.623 3.906 12.663 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.123 6.117 11.167 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.471 6.423 12.244 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.465 3.212 10.572 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.646 2.551 12.007 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.960 3.958 11.160 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.248 6.267 9.892 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.930 4.940 10.862 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.561 4.629 9.768 1.00 0.00 H new ATOM 820 N LYS A 53 111.260 3.208 14.520 1.00 0.00 N ATOM 821 CA LYS A 53 110.831 1.895 15.090 1.00 0.00 C ATOM 822 C LYS A 53 110.647 0.874 13.962 1.00 0.00 C ATOM 823 O LYS A 53 110.836 -0.312 14.157 1.00 0.00 O ATOM 824 CB LYS A 53 109.499 2.173 15.791 1.00 0.00 C ATOM 825 CG LYS A 53 109.067 0.935 16.583 1.00 0.00 C ATOM 826 CD LYS A 53 107.707 1.194 17.233 1.00 0.00 C ATOM 827 CE LYS A 53 107.340 0.014 18.136 1.00 0.00 C ATOM 828 NZ LYS A 53 108.059 0.270 19.415 1.00 0.00 N ATOM 0 H LYS A 53 110.498 3.826 14.242 1.00 0.00 H new ATOM 0 HA LYS A 53 111.567 1.483 15.780 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.600 3.028 16.460 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.737 2.431 15.056 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.007 0.070 15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.809 0.702 17.347 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.740 2.115 17.815 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.945 1.329 16.465 1.00 0.00 H new ATOM 0 HE2 LYS A 53 106.263 -0.043 18.293 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.648 -0.933 17.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.470 -0.618 19.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 108.818 0.963 19.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 107.392 0.645 20.119 1.00 0.00 H new ATOM 842 N ASP A 54 110.283 1.332 12.783 1.00 0.00 N ATOM 843 CA ASP A 54 110.036 0.397 11.637 1.00 0.00 C ATOM 844 C ASP A 54 110.015 1.177 10.317 1.00 0.00 C ATOM 845 O ASP A 54 109.770 2.369 10.295 1.00 0.00 O ATOM 846 CB ASP A 54 108.663 -0.233 11.904 1.00 0.00 C ATOM 847 CG ASP A 54 108.822 -1.516 12.725 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.755 -2.257 12.457 1.00 0.00 O ATOM 849 OD2 ASP A 54 108.008 -1.736 13.607 1.00 0.00 O ATOM 0 H ASP A 54 110.146 2.319 12.566 1.00 0.00 H new ATOM 0 HA ASP A 54 110.816 -0.360 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 54 108.028 0.473 12.439 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.167 -0.456 10.959 1.00 0.00 H new ATOM 854 N LEU A 55 110.274 0.505 9.219 1.00 0.00 N ATOM 855 CA LEU A 55 110.290 1.192 7.889 1.00 0.00 C ATOM 856 C LEU A 55 109.489 0.387 6.862 1.00 0.00 C ATOM 857 O LEU A 55 109.424 -0.827 6.929 1.00 0.00 O ATOM 858 CB LEU A 55 111.766 1.244 7.485 1.00 0.00 C ATOM 859 CG LEU A 55 112.527 2.192 8.413 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.030 1.983 8.234 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.172 3.639 8.065 1.00 0.00 C ATOM 0 H LEU A 55 110.476 -0.494 9.188 1.00 0.00 H new ATOM 0 HA LEU A 55 109.841 2.184 7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.201 0.246 7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.858 1.581 6.452 1.00 0.00 H new ATOM 0 HG LEU A 55 112.251 1.986 9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.573 2.659 8.895 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.286 0.952 8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.305 2.189 7.200 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.714 4.316 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.449 3.843 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.100 3.791 8.190 1.00 0.00 H new ATOM 873 N ARG A 56 108.880 1.058 5.915 1.00 0.00 N ATOM 874 CA ARG A 56 108.158 0.341 4.818 1.00 0.00 C ATOM 875 C ARG A 56 108.170 1.193 3.542 1.00 0.00 C ATOM 876 O ARG A 56 108.040 2.399 3.601 1.00 0.00 O ATOM 877 CB ARG A 56 106.726 0.144 5.344 1.00 0.00 C ATOM 878 CG ARG A 56 105.990 1.495 5.423 1.00 0.00 C ATOM 879 CD ARG A 56 105.017 1.501 6.607 1.00 0.00 C ATOM 880 NE ARG A 56 104.031 0.406 6.329 1.00 0.00 N ATOM 881 CZ ARG A 56 103.268 -0.093 7.283 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.329 0.351 8.518 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.429 -1.049 6.991 1.00 0.00 N ATOM 0 H ARG A 56 108.852 2.076 5.855 1.00 0.00 H new ATOM 0 HA ARG A 56 108.621 -0.612 4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.182 -0.536 4.688 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.755 -0.319 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.712 2.304 5.532 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.446 1.676 4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.542 1.326 7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.516 2.465 6.697 1.00 0.00 H new ATOM 0 HE ARG A 56 103.948 0.039 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.978 1.100 8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.727 -0.053 9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.369 -1.401 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.833 -1.444 7.718 1.00 0.00 H new ATOM 897 N ILE A 57 108.324 0.578 2.398 1.00 0.00 N ATOM 898 CA ILE A 57 108.258 1.351 1.118 1.00 0.00 C ATOM 899 C ILE A 57 106.801 1.481 0.658 1.00 0.00 C ATOM 900 O ILE A 57 106.058 0.515 0.650 1.00 0.00 O ATOM 901 CB ILE A 57 109.077 0.554 0.091 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.507 0.327 0.610 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.145 1.356 -1.213 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.196 -0.750 -0.233 1.00 0.00 C ATOM 0 H ILE A 57 108.492 -0.423 2.293 1.00 0.00 H new ATOM 0 HA ILE A 57 108.654 2.359 1.238 1.00 0.00 H new ATOM 0 HB ILE A 57 108.601 -0.412 -0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.073 1.257 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.481 0.022 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.724 0.801 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.136 1.521 -1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.623 2.317 -1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.209 -0.909 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.634 -1.681 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.236 -0.427 -1.273 1.00 0.00 H new ATOM 916 N LEU A 58 106.391 2.667 0.275 1.00 0.00 N ATOM 917 CA LEU A 58 104.975 2.871 -0.170 1.00 0.00 C ATOM 918 C LEU A 58 104.829 2.481 -1.653 1.00 0.00 C ATOM 919 O LEU A 58 105.444 3.098 -2.502 1.00 0.00 O ATOM 920 CB LEU A 58 104.707 4.367 0.015 1.00 0.00 C ATOM 921 CG LEU A 58 104.714 4.709 1.508 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.032 6.194 1.689 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.338 4.405 2.105 1.00 0.00 C ATOM 0 H LEU A 58 106.976 3.503 0.251 1.00 0.00 H new ATOM 0 HA LEU A 58 104.273 2.260 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.467 4.950 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.745 4.632 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 58 105.471 4.111 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.037 6.438 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.011 6.411 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.275 6.793 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.341 4.648 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.581 5.004 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.111 3.347 1.975 1.00 0.00 H new ATOM 1736 N SER B 257 112.166 -4.747 2.599 1.00 0.00 N ATOM 1737 CA SER B 257 112.004 -3.525 3.458 1.00 0.00 C ATOM 1738 C SER B 257 112.497 -3.802 4.882 1.00 0.00 C ATOM 1739 O SER B 257 113.047 -2.939 5.541 1.00 0.00 O ATOM 1740 CB SER B 257 110.502 -3.239 3.471 1.00 0.00 C ATOM 1741 OG SER B 257 110.059 -2.992 2.143 1.00 0.00 O ATOM 0 HA SER B 257 112.581 -2.683 3.076 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.963 -4.086 3.895 1.00 0.00 H new ATOM 0 HB3 SER B 257 110.290 -2.377 4.104 1.00 0.00 H new ATOM 0 HG SER B 257 110.579 -3.539 1.518 1.00 0.00 H new ATOM 1747 N SER B 258 112.297 -5.010 5.353 1.00 0.00 N ATOM 1748 CA SER B 258 112.739 -5.370 6.738 1.00 0.00 C ATOM 1749 C SER B 258 114.270 -5.374 6.821 1.00 0.00 C ATOM 1750 O SER B 258 114.843 -5.047 7.843 1.00 0.00 O ATOM 1751 CB SER B 258 112.185 -6.772 6.996 1.00 0.00 C ATOM 1752 OG SER B 258 110.778 -6.765 6.791 1.00 0.00 O ATOM 0 H SER B 258 111.845 -5.764 4.836 1.00 0.00 H new ATOM 0 HA SER B 258 112.379 -4.655 7.478 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.658 -7.491 6.328 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.414 -7.085 8.015 1.00 0.00 H new ATOM 0 HG SER B 258 110.419 -7.662 6.954 1.00 0.00 H new ATOM 1758 N GLN B 259 114.932 -5.744 5.748 1.00 0.00 N ATOM 1759 CA GLN B 259 116.432 -5.749 5.746 1.00 0.00 C ATOM 1760 C GLN B 259 116.969 -4.323 5.903 1.00 0.00 C ATOM 1761 O GLN B 259 118.002 -4.105 6.508 1.00 0.00 O ATOM 1762 CB GLN B 259 116.841 -6.326 4.386 1.00 0.00 C ATOM 1763 CG GLN B 259 116.400 -7.789 4.295 1.00 0.00 C ATOM 1764 CD GLN B 259 116.769 -8.352 2.920 1.00 0.00 C ATOM 1765 OE1 GLN B 259 116.708 -7.654 1.926 1.00 0.00 O ATOM 1766 NE2 GLN B 259 117.152 -9.595 2.820 1.00 0.00 N ATOM 0 H GLN B 259 114.499 -6.042 4.874 1.00 0.00 H new ATOM 0 HA GLN B 259 116.835 -6.336 6.571 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.385 -5.748 3.582 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.921 -6.253 4.258 1.00 0.00 H new ATOM 0 HG2 GLN B 259 116.881 -8.374 5.079 1.00 0.00 H new ATOM 0 HG3 GLN B 259 115.324 -7.866 4.454 1.00 0.00 H new ATOM 0 HE21 GLN B 259 117.204 -10.181 3.653 1.00 0.00 H new ATOM 0 HE22 GLN B 259 117.400 -9.981 1.909 1.00 0.00 H new ATOM 1775 N LEU B 260 116.269 -3.352 5.363 1.00 0.00 N ATOM 1776 CA LEU B 260 116.716 -1.926 5.497 1.00 0.00 C ATOM 1777 C LEU B 260 116.656 -1.489 6.964 1.00 0.00 C ATOM 1778 O LEU B 260 117.530 -0.791 7.447 1.00 0.00 O ATOM 1779 CB LEU B 260 115.734 -1.106 4.655 1.00 0.00 C ATOM 1780 CG LEU B 260 115.909 -1.458 3.176 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.739 -0.884 2.374 1.00 0.00 C ATOM 1782 CD2 LEU B 260 117.221 -0.858 2.662 1.00 0.00 C ATOM 0 H LEU B 260 115.407 -3.485 4.835 1.00 0.00 H new ATOM 0 HA LEU B 260 117.744 -1.790 5.162 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.711 -1.310 4.969 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.908 -0.041 4.809 1.00 0.00 H new ATOM 0 HG LEU B 260 115.933 -2.542 3.060 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.863 -1.134 1.320 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.804 -1.308 2.740 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.716 0.200 2.489 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.347 -1.108 1.609 1.00 0.00 H new ATOM 0 HD22 LEU B 260 117.195 0.226 2.777 1.00 0.00 H new ATOM 0 HD23 LEU B 260 118.055 -1.264 3.234 1.00 0.00 H new ATOM 1794 N LEU B 261 115.630 -1.896 7.672 1.00 0.00 N ATOM 1795 CA LEU B 261 115.542 -1.571 9.133 1.00 0.00 C ATOM 1796 C LEU B 261 116.612 -2.348 9.904 1.00 0.00 C ATOM 1797 O LEU B 261 117.229 -1.829 10.817 1.00 0.00 O ATOM 1798 CB LEU B 261 114.137 -2.009 9.566 1.00 0.00 C ATOM 1799 CG LEU B 261 113.867 -1.535 10.997 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.698 -0.015 11.012 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.586 -2.193 11.517 1.00 0.00 C ATOM 0 H LEU B 261 114.850 -2.439 7.303 1.00 0.00 H new ATOM 0 HA LEU B 261 115.708 -0.512 9.331 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.391 -1.594 8.888 1.00 0.00 H new ATOM 0 HB3 LEU B 261 114.050 -3.094 9.509 1.00 0.00 H new ATOM 0 HG LEU B 261 114.707 -1.812 11.634 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.506 0.320 12.031 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.608 0.456 10.641 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.859 0.264 10.374 1.00 0.00 H new ATOM 0 HD21 LEU B 261 112.392 -1.857 12.536 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.748 -1.915 10.877 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.704 -3.277 11.509 1.00 0.00 H new ATOM 1813 N SER B 262 116.833 -3.590 9.539 1.00 0.00 N ATOM 1814 CA SER B 262 117.899 -4.406 10.212 1.00 0.00 C ATOM 1815 C SER B 262 119.280 -3.779 9.983 1.00 0.00 C ATOM 1816 O SER B 262 120.126 -3.790 10.857 1.00 0.00 O ATOM 1817 CB SER B 262 117.830 -5.786 9.554 1.00 0.00 C ATOM 1818 OG SER B 262 116.504 -6.289 9.661 1.00 0.00 O ATOM 0 H SER B 262 116.321 -4.076 8.803 1.00 0.00 H new ATOM 0 HA SER B 262 117.746 -4.459 11.290 1.00 0.00 H new ATOM 0 HB2 SER B 262 118.122 -5.718 8.506 1.00 0.00 H new ATOM 0 HB3 SER B 262 118.530 -6.468 10.037 1.00 0.00 H new ATOM 0 HG SER B 262 115.967 -5.957 8.911 1.00 0.00 H new ATOM 1824 N LEU B 263 119.508 -3.234 8.810 1.00 0.00 N ATOM 1825 CA LEU B 263 120.831 -2.590 8.515 1.00 0.00 C ATOM 1826 C LEU B 263 121.043 -1.373 9.419 1.00 0.00 C ATOM 1827 O LEU B 263 122.130 -1.143 9.919 1.00 0.00 O ATOM 1828 CB LEU B 263 120.757 -2.157 7.047 1.00 0.00 C ATOM 1829 CG LEU B 263 120.858 -3.387 6.143 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.282 -3.058 4.765 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.328 -3.791 5.997 1.00 0.00 C ATOM 0 H LEU B 263 118.835 -3.207 8.044 1.00 0.00 H new ATOM 0 HA LEU B 263 121.663 -3.271 8.695 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.821 -1.631 6.859 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.565 -1.460 6.822 1.00 0.00 H new ATOM 0 HG LEU B 263 120.295 -4.209 6.584 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.354 -3.935 4.122 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.236 -2.768 4.867 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.844 -2.236 4.322 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.402 -4.667 5.353 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.889 -2.968 5.555 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.740 -4.026 6.978 1.00 0.00 H new