USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 300 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 176 GLN : amide:sc= -2.26! C(o=-2.3!,f=-2.5!) USER MOD Single : A 178 SER OG : rot -33:sc= -4.31! USER MOD Single : A 179 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 182 LYS NZ :NH3+ -159:sc= -0.0868 (180deg=-0.642) USER MOD Single : A 183 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 185 MET CE :methyl -149:sc= -0.497 (180deg=-3.41!) USER MOD Single : A 186 THR OG1 : rot -101:sc= 0.975 USER MOD Single : A 188 THR OG1 : rot 170:sc= -0.893! USER MOD Single : A 192 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 193 ASN : amide:sc= -0.798 K(o=-0.8,f=-5!) USER MOD Single : B 176 GLN : amide:sc= -3.24! X(o=-3.2!,f=-3.5) USER MOD Single : B 178 SER OG : rot -36:sc= -4.42! USER MOD Single : B 179 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 182 LYS NZ :NH3+ -159:sc= -0.0624 (180deg=-0.488) USER MOD Single : B 183 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 185 MET CE :methyl -147:sc= -0.835 (180deg=-3.69!) USER MOD Single : B 186 THR OG1 : rot -96:sc= 1.08 USER MOD Single : B 188 THR OG1 : rot -179:sc= -1.04! USER MOD Single : B 192 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : B 193 ASN : amide:sc= -0.918 K(o=-0.92,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 175 101.256 140.240 24.131 1.00 0.00 N ATOM 2 CA GLU A 175 102.291 140.871 24.997 1.00 0.00 C ATOM 3 C GLU A 175 103.661 140.306 24.642 1.00 0.00 C ATOM 4 O GLU A 175 104.346 139.734 25.489 1.00 0.00 O ATOM 5 CB GLU A 175 101.971 140.580 26.465 1.00 0.00 C ATOM 6 CG GLU A 175 100.636 141.230 26.836 1.00 0.00 C ATOM 7 CD GLU A 175 100.771 142.749 26.804 1.00 0.00 C ATOM 8 OE1 GLU A 175 101.894 143.225 26.810 1.00 0.00 O ATOM 9 OE2 GLU A 175 99.749 143.414 26.775 1.00 0.00 O ATOM 0 HA GLU A 175 102.296 141.949 24.838 1.00 0.00 H new ATOM 0 HB2 GLU A 175 101.922 139.504 26.631 1.00 0.00 H new ATOM 0 HB3 GLU A 175 102.765 140.965 27.104 1.00 0.00 H new ATOM 0 HG2 GLU A 175 99.860 140.910 26.140 1.00 0.00 H new ATOM 0 HG3 GLU A 175 100.327 140.905 27.829 1.00 0.00 H new ATOM 16 N GLN A 176 104.056 140.472 23.384 1.00 0.00 N ATOM 17 CA GLN A 176 105.349 139.974 22.927 1.00 0.00 C ATOM 18 C GLN A 176 106.372 141.104 22.881 1.00 0.00 C ATOM 19 O GLN A 176 107.363 141.028 22.154 1.00 0.00 O ATOM 20 CB GLN A 176 105.207 139.354 21.535 1.00 0.00 C ATOM 21 CG GLN A 176 104.317 138.112 21.617 1.00 0.00 C ATOM 22 CD GLN A 176 102.863 138.526 21.808 1.00 0.00 C ATOM 23 OE1 GLN A 176 102.378 139.430 21.129 1.00 0.00 O ATOM 24 NE2 GLN A 176 102.131 137.912 22.699 1.00 0.00 N ATOM 0 H GLN A 176 103.504 140.944 22.667 1.00 0.00 H new ATOM 0 HA GLN A 176 105.694 139.215 23.629 1.00 0.00 H new ATOM 0 HB2 GLN A 176 104.775 140.079 20.845 1.00 0.00 H new ATOM 0 HB3 GLN A 176 106.188 139.086 21.143 1.00 0.00 H new ATOM 0 HG2 GLN A 176 104.419 137.520 20.707 1.00 0.00 H new ATOM 0 HG3 GLN A 176 104.636 137.480 22.446 1.00 0.00 H new ATOM 0 HE21 GLN A 176 102.534 137.163 23.261 1.00 0.00 H new ATOM 0 HE22 GLN A 176 101.156 138.182 22.832 1.00 0.00 H new ATOM 33 N ALA A 177 106.125 142.152 23.661 1.00 0.00 N ATOM 34 CA ALA A 177 107.029 143.296 23.694 1.00 0.00 C ATOM 35 C ALA A 177 108.433 142.858 24.093 1.00 0.00 C ATOM 36 O ALA A 177 108.604 141.961 24.918 1.00 0.00 O ATOM 37 CB ALA A 177 106.515 144.338 24.691 1.00 0.00 C ATOM 0 H ALA A 177 105.314 142.233 24.274 1.00 0.00 H new ATOM 0 HA ALA A 177 107.067 143.734 22.697 1.00 0.00 H new ATOM 0 HB1 ALA A 177 107.195 145.190 24.710 1.00 0.00 H new ATOM 0 HB2 ALA A 177 105.523 144.673 24.388 1.00 0.00 H new ATOM 0 HB3 ALA A 177 106.461 143.894 25.685 1.00 0.00 H new ATOM 43 N SER A 178 109.438 143.497 23.501 1.00 0.00 N ATOM 44 CA SER A 178 110.826 143.163 23.800 1.00 0.00 C ATOM 45 C SER A 178 111.266 141.940 23.001 1.00 0.00 C ATOM 46 O SER A 178 110.576 140.920 22.979 1.00 0.00 O ATOM 47 CB SER A 178 110.986 142.883 25.295 1.00 0.00 C ATOM 48 OG SER A 178 110.832 141.491 25.530 1.00 0.00 O ATOM 0 H SER A 178 109.318 144.244 22.816 1.00 0.00 H new ATOM 0 HA SER A 178 111.452 144.010 23.521 1.00 0.00 H new ATOM 0 HB2 SER A 178 111.967 143.215 25.636 1.00 0.00 H new ATOM 0 HB3 SER A 178 110.244 143.444 25.863 1.00 0.00 H new ATOM 0 HG SER A 178 110.181 141.122 24.897 1.00 0.00 H new ATOM 54 N GLN A 179 112.416 142.050 22.347 1.00 0.00 N ATOM 55 CA GLN A 179 112.939 140.947 21.548 1.00 0.00 C ATOM 56 C GLN A 179 113.256 139.747 22.434 1.00 0.00 C ATOM 57 O GLN A 179 113.056 138.598 22.035 1.00 0.00 O ATOM 58 CB GLN A 179 114.204 141.388 20.810 1.00 0.00 C ATOM 59 CG GLN A 179 113.833 142.392 19.716 1.00 0.00 C ATOM 60 CD GLN A 179 115.087 142.836 18.970 1.00 0.00 C ATOM 61 OE1 GLN A 179 115.943 142.012 18.649 1.00 0.00 O ATOM 62 NE2 GLN A 179 115.246 144.096 18.673 1.00 0.00 N ATOM 0 H GLN A 179 113.001 142.885 22.353 1.00 0.00 H new ATOM 0 HA GLN A 179 112.179 140.658 20.822 1.00 0.00 H new ATOM 0 HB2 GLN A 179 114.907 141.840 21.510 1.00 0.00 H new ATOM 0 HB3 GLN A 179 114.702 140.523 20.371 1.00 0.00 H new ATOM 0 HG2 GLN A 179 113.127 141.940 19.020 1.00 0.00 H new ATOM 0 HG3 GLN A 179 113.337 143.256 20.157 1.00 0.00 H new ATOM 0 HE21 GLN A 179 114.535 144.777 18.940 1.00 0.00 H new ATOM 0 HE22 GLN A 179 116.081 144.401 18.173 1.00 0.00 H new ATOM 71 N GLU A 180 113.752 140.020 23.637 1.00 0.00 N ATOM 72 CA GLU A 180 114.108 138.951 24.565 1.00 0.00 C ATOM 73 C GLU A 180 112.893 138.079 24.864 1.00 0.00 C ATOM 74 O GLU A 180 112.985 136.850 24.860 1.00 0.00 O ATOM 75 CB GLU A 180 114.639 139.552 25.869 1.00 0.00 C ATOM 76 CG GLU A 180 115.977 140.245 25.604 1.00 0.00 C ATOM 77 CD GLU A 180 117.043 139.208 25.267 1.00 0.00 C ATOM 78 OE1 GLU A 180 116.828 138.046 25.569 1.00 0.00 O ATOM 79 OE2 GLU A 180 118.059 139.591 24.711 1.00 0.00 O ATOM 0 H GLU A 180 113.916 140.963 23.990 1.00 0.00 H new ATOM 0 HA GLU A 180 114.881 138.335 24.106 1.00 0.00 H new ATOM 0 HB2 GLU A 180 113.921 140.266 26.272 1.00 0.00 H new ATOM 0 HB3 GLU A 180 114.764 138.770 26.618 1.00 0.00 H new ATOM 0 HG2 GLU A 180 115.873 140.952 24.781 1.00 0.00 H new ATOM 0 HG3 GLU A 180 116.279 140.818 26.481 1.00 0.00 H new ATOM 86 N VAL A 181 111.756 138.719 25.117 1.00 0.00 N ATOM 87 CA VAL A 181 110.523 137.987 25.387 1.00 0.00 C ATOM 88 C VAL A 181 110.131 137.142 24.176 1.00 0.00 C ATOM 89 O VAL A 181 109.759 135.977 24.317 1.00 0.00 O ATOM 90 CB VAL A 181 109.395 138.968 25.713 1.00 0.00 C ATOM 91 CG1 VAL A 181 108.065 138.215 25.776 1.00 0.00 C ATOM 92 CG2 VAL A 181 109.673 139.627 27.067 1.00 0.00 C ATOM 0 H VAL A 181 111.662 139.734 25.141 1.00 0.00 H new ATOM 0 HA VAL A 181 110.689 137.329 26.240 1.00 0.00 H new ATOM 0 HB VAL A 181 109.341 139.733 24.938 1.00 0.00 H new ATOM 0 HG11 VAL A 181 107.262 138.914 26.008 1.00 0.00 H new ATOM 0 HG12 VAL A 181 107.868 137.743 24.813 1.00 0.00 H new ATOM 0 HG13 VAL A 181 108.116 137.451 26.551 1.00 0.00 H new ATOM 0 HG21 VAL A 181 108.871 140.327 27.303 1.00 0.00 H new ATOM 0 HG22 VAL A 181 109.725 138.861 27.841 1.00 0.00 H new ATOM 0 HG23 VAL A 181 110.621 140.163 27.023 1.00 0.00 H new ATOM 102 N LYS A 182 110.213 137.739 22.991 1.00 0.00 N ATOM 103 CA LYS A 182 109.865 137.031 21.766 1.00 0.00 C ATOM 104 C LYS A 182 110.812 135.854 21.541 1.00 0.00 C ATOM 105 O LYS A 182 110.388 134.774 21.128 1.00 0.00 O ATOM 106 CB LYS A 182 109.942 137.984 20.572 1.00 0.00 C ATOM 107 CG LYS A 182 109.341 137.307 19.338 1.00 0.00 C ATOM 108 CD LYS A 182 107.828 137.537 19.315 1.00 0.00 C ATOM 109 CE LYS A 182 107.236 136.912 18.051 1.00 0.00 C ATOM 110 NZ LYS A 182 107.807 137.583 16.850 1.00 0.00 N ATOM 0 H LYS A 182 110.515 138.704 22.854 1.00 0.00 H new ATOM 0 HA LYS A 182 108.848 136.652 21.864 1.00 0.00 H new ATOM 0 HB2 LYS A 182 109.403 138.905 20.793 1.00 0.00 H new ATOM 0 HB3 LYS A 182 110.979 138.260 20.380 1.00 0.00 H new ATOM 0 HG2 LYS A 182 109.794 137.710 18.432 1.00 0.00 H new ATOM 0 HG3 LYS A 182 109.557 136.239 19.355 1.00 0.00 H new ATOM 0 HD2 LYS A 182 107.369 137.097 20.200 1.00 0.00 H new ATOM 0 HD3 LYS A 182 107.611 138.605 19.341 1.00 0.00 H new ATOM 0 HE2 LYS A 182 107.456 135.845 18.023 1.00 0.00 H new ATOM 0 HE3 LYS A 182 106.151 137.014 18.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 182 107.178 137.431 16.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 182 107.897 138.603 17.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 182 108.745 137.184 16.642 1.00 0.00 H new ATOM 124 N ASN A 183 112.095 136.073 21.815 1.00 0.00 N ATOM 125 CA ASN A 183 113.091 135.026 21.623 1.00 0.00 C ATOM 126 C ASN A 183 112.758 133.804 22.473 1.00 0.00 C ATOM 127 O ASN A 183 112.728 132.679 21.973 1.00 0.00 O ATOM 128 CB ASN A 183 114.478 135.551 22.011 1.00 0.00 C ATOM 129 CG ASN A 183 115.518 134.450 21.842 1.00 0.00 C ATOM 130 OD1 ASN A 183 115.842 133.749 22.801 1.00 0.00 O ATOM 131 ND2 ASN A 183 116.064 134.255 20.673 1.00 0.00 N ATOM 0 H ASN A 183 112.466 136.956 22.167 1.00 0.00 H new ATOM 0 HA ASN A 183 113.087 134.736 20.572 1.00 0.00 H new ATOM 0 HB2 ASN A 183 114.739 136.407 21.389 1.00 0.00 H new ATOM 0 HB3 ASN A 183 114.469 135.898 23.044 1.00 0.00 H new ATOM 0 HD21 ASN A 183 116.761 133.520 20.552 1.00 0.00 H new ATOM 0 HD22 ASN A 183 115.794 134.837 19.880 1.00 0.00 H new ATOM 138 N TRP A 184 112.500 134.033 23.756 1.00 0.00 N ATOM 139 CA TRP A 184 112.152 132.944 24.661 1.00 0.00 C ATOM 140 C TRP A 184 110.791 132.357 24.298 1.00 0.00 C ATOM 141 O TRP A 184 110.633 131.141 24.208 1.00 0.00 O ATOM 142 CB TRP A 184 112.121 133.453 26.104 1.00 0.00 C ATOM 143 CG TRP A 184 111.430 132.452 26.974 1.00 0.00 C ATOM 144 CD1 TRP A 184 112.041 131.460 27.657 1.00 0.00 C ATOM 145 CD2 TRP A 184 110.005 132.326 27.255 1.00 0.00 C ATOM 146 NE1 TRP A 184 111.087 130.736 28.348 1.00 0.00 N ATOM 147 CE2 TRP A 184 109.815 131.230 28.130 1.00 0.00 C ATOM 148 CE3 TRP A 184 108.872 133.049 26.844 1.00 0.00 C ATOM 149 CZ2 TRP A 184 108.546 130.864 28.580 1.00 0.00 C ATOM 150 CZ3 TRP A 184 107.592 132.683 27.293 1.00 0.00 C ATOM 151 CH2 TRP A 184 107.430 131.593 28.160 1.00 0.00 C ATOM 0 H TRP A 184 112.525 134.956 24.190 1.00 0.00 H new ATOM 0 HA TRP A 184 112.908 132.164 24.566 1.00 0.00 H new ATOM 0 HB2 TRP A 184 113.136 133.622 26.463 1.00 0.00 H new ATOM 0 HB3 TRP A 184 111.603 134.411 26.152 1.00 0.00 H new ATOM 0 HD1 TRP A 184 113.103 131.264 27.663 1.00 0.00 H new ATOM 0 HE1 TRP A 184 111.296 129.936 28.945 1.00 0.00 H new ATOM 0 HE3 TRP A 184 108.986 133.892 26.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 184 108.427 130.024 29.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 184 106.728 133.244 26.969 1.00 0.00 H new ATOM 0 HH2 TRP A 184 106.444 131.317 28.503 1.00 0.00 H new ATOM 162 N MET A 185 109.813 133.234 24.088 1.00 0.00 N ATOM 163 CA MET A 185 108.461 132.788 23.774 1.00 0.00 C ATOM 164 C MET A 185 108.469 131.882 22.547 1.00 0.00 C ATOM 165 O MET A 185 107.854 130.816 22.550 1.00 0.00 O ATOM 166 CB MET A 185 107.563 134.001 23.507 1.00 0.00 C ATOM 167 CG MET A 185 106.117 133.534 23.325 1.00 0.00 C ATOM 168 SD MET A 185 105.020 134.974 23.291 1.00 0.00 S ATOM 169 CE MET A 185 105.261 135.481 25.012 1.00 0.00 C ATOM 0 H MET A 185 109.930 134.246 24.129 1.00 0.00 H new ATOM 0 HA MET A 185 108.075 132.227 24.625 1.00 0.00 H new ATOM 0 HB2 MET A 185 107.628 134.705 24.337 1.00 0.00 H new ATOM 0 HB3 MET A 185 107.901 134.528 22.615 1.00 0.00 H new ATOM 0 HG2 MET A 185 106.020 132.967 22.399 1.00 0.00 H new ATOM 0 HG3 MET A 185 105.834 132.866 24.139 1.00 0.00 H new ATOM 0 HE1 MET A 185 104.351 135.952 25.383 1.00 0.00 H new ATOM 0 HE2 MET A 185 105.491 134.606 25.620 1.00 0.00 H new ATOM 0 HE3 MET A 185 106.086 136.191 25.070 1.00 0.00 H new ATOM 179 N THR A 186 109.170 132.311 21.504 1.00 0.00 N ATOM 180 CA THR A 186 109.231 131.536 20.273 1.00 0.00 C ATOM 181 C THR A 186 110.141 130.325 20.437 1.00 0.00 C ATOM 182 O THR A 186 109.721 129.188 20.229 1.00 0.00 O ATOM 183 CB THR A 186 109.755 132.415 19.130 1.00 0.00 C ATOM 184 OG1 THR A 186 110.982 133.012 19.520 1.00 0.00 O ATOM 185 CG2 THR A 186 108.732 133.506 18.811 1.00 0.00 C ATOM 0 H THR A 186 109.699 133.183 21.486 1.00 0.00 H new ATOM 0 HA THR A 186 108.225 131.188 20.040 1.00 0.00 H new ATOM 0 HB THR A 186 109.915 131.802 18.243 1.00 0.00 H new ATOM 0 HG1 THR A 186 110.823 133.940 19.790 1.00 0.00 H new ATOM 0 HG21 THR A 186 109.106 134.129 17.999 1.00 0.00 H new ATOM 0 HG22 THR A 186 107.791 133.046 18.511 1.00 0.00 H new ATOM 0 HG23 THR A 186 108.569 134.122 19.695 1.00 0.00 H new ATOM 193 N GLU A 187 111.389 130.578 20.821 1.00 0.00 N ATOM 194 CA GLU A 187 112.363 129.503 20.949 1.00 0.00 C ATOM 195 C GLU A 187 111.904 128.472 21.970 1.00 0.00 C ATOM 196 O GLU A 187 111.892 127.271 21.692 1.00 0.00 O ATOM 197 CB GLU A 187 113.718 130.080 21.383 1.00 0.00 C ATOM 198 CG GLU A 187 114.786 128.986 21.316 1.00 0.00 C ATOM 199 CD GLU A 187 115.007 128.560 19.869 1.00 0.00 C ATOM 200 OE1 GLU A 187 114.321 127.652 19.427 1.00 0.00 O ATOM 201 OE2 GLU A 187 115.858 129.148 19.223 1.00 0.00 O ATOM 0 H GLU A 187 111.745 131.507 21.046 1.00 0.00 H new ATOM 0 HA GLU A 187 112.461 129.014 19.980 1.00 0.00 H new ATOM 0 HB2 GLU A 187 113.994 130.912 20.736 1.00 0.00 H new ATOM 0 HB3 GLU A 187 113.649 130.474 22.397 1.00 0.00 H new ATOM 0 HG2 GLU A 187 115.720 129.352 21.743 1.00 0.00 H new ATOM 0 HG3 GLU A 187 114.477 128.128 21.913 1.00 0.00 H new ATOM 208 N THR A 188 111.518 128.947 23.151 1.00 0.00 N ATOM 209 CA THR A 188 111.117 128.047 24.223 1.00 0.00 C ATOM 210 C THR A 188 109.883 127.247 23.829 1.00 0.00 C ATOM 211 O THR A 188 109.875 126.018 23.910 1.00 0.00 O ATOM 212 CB THR A 188 110.815 128.855 25.492 1.00 0.00 C ATOM 213 OG1 THR A 188 111.876 129.769 25.733 1.00 0.00 O ATOM 214 CG2 THR A 188 110.679 127.906 26.685 1.00 0.00 C ATOM 0 H THR A 188 111.475 129.939 23.387 1.00 0.00 H new ATOM 0 HA THR A 188 111.937 127.354 24.411 1.00 0.00 H new ATOM 0 HB THR A 188 109.883 129.404 25.359 1.00 0.00 H new ATOM 0 HG1 THR A 188 111.616 130.391 26.444 1.00 0.00 H new ATOM 0 HG21 THR A 188 110.465 128.482 27.585 1.00 0.00 H new ATOM 0 HG22 THR A 188 109.866 127.204 26.501 1.00 0.00 H new ATOM 0 HG23 THR A 188 111.610 127.355 26.820 1.00 0.00 H new ATOM 222 N LEU A 189 108.843 127.949 23.391 1.00 0.00 N ATOM 223 CA LEU A 189 107.593 127.296 23.019 1.00 0.00 C ATOM 224 C LEU A 189 107.773 126.485 21.741 1.00 0.00 C ATOM 225 O LEU A 189 107.137 125.446 21.558 1.00 0.00 O ATOM 226 CB LEU A 189 106.498 128.343 22.814 1.00 0.00 C ATOM 227 CG LEU A 189 106.323 129.158 24.098 1.00 0.00 C ATOM 228 CD1 LEU A 189 105.241 130.218 23.884 1.00 0.00 C ATOM 229 CD2 LEU A 189 105.904 128.227 25.239 1.00 0.00 C ATOM 0 H LEU A 189 108.840 128.964 23.285 1.00 0.00 H new ATOM 0 HA LEU A 189 107.302 126.622 23.825 1.00 0.00 H new ATOM 0 HB2 LEU A 189 106.760 129.001 21.986 1.00 0.00 H new ATOM 0 HB3 LEU A 189 105.560 127.856 22.549 1.00 0.00 H new ATOM 0 HG LEU A 189 107.265 129.644 24.352 1.00 0.00 H new ATOM 0 HD11 LEU A 189 105.115 130.799 24.798 1.00 0.00 H new ATOM 0 HD12 LEU A 189 105.536 130.880 23.070 1.00 0.00 H new ATOM 0 HD13 LEU A 189 104.299 129.731 23.631 1.00 0.00 H new ATOM 0 HD21 LEU A 189 105.779 128.806 26.154 1.00 0.00 H new ATOM 0 HD22 LEU A 189 104.962 127.742 24.985 1.00 0.00 H new ATOM 0 HD23 LEU A 189 106.673 127.469 25.391 1.00 0.00 H new ATOM 241 N LEU A 190 108.643 126.967 20.859 1.00 0.00 N ATOM 242 CA LEU A 190 108.904 126.274 19.601 1.00 0.00 C ATOM 243 C LEU A 190 109.384 124.851 19.869 1.00 0.00 C ATOM 244 O LEU A 190 108.894 123.897 19.261 1.00 0.00 O ATOM 245 CB LEU A 190 109.964 127.031 18.800 1.00 0.00 C ATOM 246 CG LEU A 190 110.339 126.221 17.558 1.00 0.00 C ATOM 247 CD1 LEU A 190 109.089 125.979 16.709 1.00 0.00 C ATOM 248 CD2 LEU A 190 111.369 127.000 16.735 1.00 0.00 C ATOM 0 H LEU A 190 109.175 127.827 20.990 1.00 0.00 H new ATOM 0 HA LEU A 190 107.978 126.233 19.027 1.00 0.00 H new ATOM 0 HB2 LEU A 190 109.584 128.010 18.508 1.00 0.00 H new ATOM 0 HB3 LEU A 190 110.847 127.202 19.416 1.00 0.00 H new ATOM 0 HG LEU A 190 110.762 125.264 17.863 1.00 0.00 H new ATOM 0 HD11 LEU A 190 109.356 125.402 15.824 1.00 0.00 H new ATOM 0 HD12 LEU A 190 108.353 125.427 17.294 1.00 0.00 H new ATOM 0 HD13 LEU A 190 108.666 126.936 16.404 1.00 0.00 H new ATOM 0 HD21 LEU A 190 111.638 126.424 15.849 1.00 0.00 H new ATOM 0 HD22 LEU A 190 110.944 127.956 16.431 1.00 0.00 H new ATOM 0 HD23 LEU A 190 112.260 127.175 17.338 1.00 0.00 H new ATOM 260 N VAL A 191 110.345 124.715 20.776 1.00 0.00 N ATOM 261 CA VAL A 191 110.869 123.399 21.129 1.00 0.00 C ATOM 262 C VAL A 191 109.789 122.560 21.809 1.00 0.00 C ATOM 263 O VAL A 191 109.604 121.388 21.482 1.00 0.00 O ATOM 264 CB VAL A 191 112.067 123.549 22.065 1.00 0.00 C ATOM 265 CG1 VAL A 191 112.491 122.171 22.577 1.00 0.00 C ATOM 266 CG2 VAL A 191 113.231 124.189 21.304 1.00 0.00 C ATOM 0 H VAL A 191 110.775 125.493 21.277 1.00 0.00 H new ATOM 0 HA VAL A 191 111.185 122.895 20.216 1.00 0.00 H new ATOM 0 HB VAL A 191 111.791 124.181 22.909 1.00 0.00 H new ATOM 0 HG11 VAL A 191 113.346 122.278 23.245 1.00 0.00 H new ATOM 0 HG12 VAL A 191 111.663 121.713 23.118 1.00 0.00 H new ATOM 0 HG13 VAL A 191 112.767 121.538 21.733 1.00 0.00 H new ATOM 0 HG21 VAL A 191 114.086 124.297 21.971 1.00 0.00 H new ATOM 0 HG22 VAL A 191 113.506 123.556 20.460 1.00 0.00 H new ATOM 0 HG23 VAL A 191 112.931 125.171 20.938 1.00 0.00 H new ATOM 276 N GLN A 192 109.082 123.169 22.756 1.00 0.00 N ATOM 277 CA GLN A 192 108.022 122.469 23.471 1.00 0.00 C ATOM 278 C GLN A 192 106.932 122.017 22.504 1.00 0.00 C ATOM 279 O GLN A 192 106.450 120.887 22.580 1.00 0.00 O ATOM 280 CB GLN A 192 107.415 123.387 24.533 1.00 0.00 C ATOM 281 CG GLN A 192 106.339 122.626 25.311 1.00 0.00 C ATOM 282 CD GLN A 192 105.833 123.479 26.470 1.00 0.00 C ATOM 283 OE1 GLN A 192 106.621 123.920 27.306 1.00 0.00 O ATOM 284 NE2 GLN A 192 104.559 123.738 26.570 1.00 0.00 N ATOM 0 H GLN A 192 109.222 124.137 23.044 1.00 0.00 H new ATOM 0 HA GLN A 192 108.452 121.591 23.952 1.00 0.00 H new ATOM 0 HB2 GLN A 192 108.191 123.737 25.213 1.00 0.00 H new ATOM 0 HB3 GLN A 192 106.982 124.270 24.062 1.00 0.00 H new ATOM 0 HG2 GLN A 192 105.512 122.370 24.649 1.00 0.00 H new ATOM 0 HG3 GLN A 192 106.746 121.688 25.689 1.00 0.00 H new ATOM 0 HE21 GLN A 192 103.908 123.371 25.876 1.00 0.00 H new ATOM 0 HE22 GLN A 192 104.213 124.307 27.343 1.00 0.00 H new ATOM 293 N ASN A 193 106.550 122.907 21.593 1.00 0.00 N ATOM 294 CA ASN A 193 105.521 122.586 20.611 1.00 0.00 C ATOM 295 C ASN A 193 106.110 121.759 19.471 1.00 0.00 C ATOM 296 O ASN A 193 107.314 121.817 19.283 1.00 0.00 O ATOM 297 CB ASN A 193 104.914 123.873 20.050 1.00 0.00 C ATOM 298 CG ASN A 193 103.690 123.546 19.202 1.00 0.00 C ATOM 299 OD1 ASN A 193 103.568 122.434 18.689 1.00 0.00 O ATOM 300 ND2 ASN A 193 102.769 124.454 19.025 1.00 0.00 N ATOM 0 H ASN A 193 106.934 123.849 21.515 1.00 0.00 H new ATOM 0 HA ASN A 193 104.743 122.004 21.104 1.00 0.00 H new ATOM 0 HB2 ASN A 193 104.634 124.539 20.866 1.00 0.00 H new ATOM 0 HB3 ASN A 193 105.653 124.401 19.448 1.00 0.00 H new ATOM 0 HD21 ASN A 193 101.946 124.243 18.461 1.00 0.00 H new ATOM 0 HD22 ASN A 193 102.872 125.375 19.451 1.00 0.00 H new TER 307 ASN A 193 ATOM 308 N GLU B 175 115.267 131.611 30.080 1.00 0.00 N ATOM 309 CA GLU B 175 114.127 130.858 30.672 1.00 0.00 C ATOM 310 C GLU B 175 113.390 131.751 31.663 1.00 0.00 C ATOM 311 O GLU B 175 112.164 131.702 31.767 1.00 0.00 O ATOM 312 CB GLU B 175 114.660 129.613 31.389 1.00 0.00 C ATOM 313 CG GLU B 175 113.489 128.815 31.964 1.00 0.00 C ATOM 314 CD GLU B 175 114.002 127.539 32.621 1.00 0.00 C ATOM 315 OE1 GLU B 175 115.207 127.351 32.647 1.00 0.00 O ATOM 316 OE2 GLU B 175 113.182 126.766 33.089 1.00 0.00 O ATOM 0 HA GLU B 175 113.438 130.553 29.884 1.00 0.00 H new ATOM 0 HB2 GLU B 175 115.228 128.995 30.694 1.00 0.00 H new ATOM 0 HB3 GLU B 175 115.342 129.904 32.188 1.00 0.00 H new ATOM 0 HG2 GLU B 175 112.950 129.419 32.694 1.00 0.00 H new ATOM 0 HG3 GLU B 175 112.783 128.567 31.172 1.00 0.00 H new ATOM 323 N GLN B 176 114.144 132.569 32.391 1.00 0.00 N ATOM 324 CA GLN B 176 113.551 133.465 33.377 1.00 0.00 C ATOM 325 C GLN B 176 114.413 134.710 33.556 1.00 0.00 C ATOM 326 O GLN B 176 114.455 135.298 34.637 1.00 0.00 O ATOM 327 CB GLN B 176 113.410 132.742 34.719 1.00 0.00 C ATOM 328 CG GLN B 176 112.309 133.410 35.546 1.00 0.00 C ATOM 329 CD GLN B 176 110.942 133.088 34.951 1.00 0.00 C ATOM 330 OE1 GLN B 176 110.399 133.875 34.177 1.00 0.00 O ATOM 331 NE2 GLN B 176 110.351 131.969 35.270 1.00 0.00 N ATOM 0 H GLN B 176 115.160 132.630 32.318 1.00 0.00 H new ATOM 0 HA GLN B 176 112.566 133.767 33.021 1.00 0.00 H new ATOM 0 HB2 GLN B 176 113.169 131.692 34.555 1.00 0.00 H new ATOM 0 HB3 GLN B 176 114.355 132.771 35.261 1.00 0.00 H new ATOM 0 HG2 GLN B 176 112.357 133.063 36.578 1.00 0.00 H new ATOM 0 HG3 GLN B 176 112.461 134.489 35.565 1.00 0.00 H new ATOM 0 HE21 GLN B 176 110.803 131.318 35.912 1.00 0.00 H new ATOM 0 HE22 GLN B 176 109.437 131.745 34.877 1.00 0.00 H new ATOM 340 N ALA B 177 115.100 135.106 32.491 1.00 0.00 N ATOM 341 CA ALA B 177 115.965 136.279 32.544 1.00 0.00 C ATOM 342 C ALA B 177 115.189 137.536 32.170 1.00 0.00 C ATOM 343 O ALA B 177 114.260 137.486 31.361 1.00 0.00 O ATOM 344 CB ALA B 177 117.146 136.101 31.587 1.00 0.00 C ATOM 0 H ALA B 177 115.076 134.636 31.586 1.00 0.00 H new ATOM 0 HA ALA B 177 116.337 136.387 33.563 1.00 0.00 H new ATOM 0 HB1 ALA B 177 117.787 136.981 31.633 1.00 0.00 H new ATOM 0 HB2 ALA B 177 117.719 135.220 31.876 1.00 0.00 H new ATOM 0 HB3 ALA B 177 116.774 135.975 30.570 1.00 0.00 H new ATOM 350 N SER B 178 115.574 138.664 32.760 1.00 0.00 N ATOM 351 CA SER B 178 114.908 139.929 32.475 1.00 0.00 C ATOM 352 C SER B 178 113.625 140.055 33.291 1.00 0.00 C ATOM 353 O SER B 178 112.817 139.128 33.342 1.00 0.00 O ATOM 354 CB SER B 178 114.579 140.024 30.985 1.00 0.00 C ATOM 355 OG SER B 178 113.266 139.528 30.762 1.00 0.00 O ATOM 0 H SER B 178 116.338 138.727 33.433 1.00 0.00 H new ATOM 0 HA SER B 178 115.581 140.741 32.749 1.00 0.00 H new ATOM 0 HB2 SER B 178 114.651 141.059 30.650 1.00 0.00 H new ATOM 0 HB3 SER B 178 115.301 139.450 30.404 1.00 0.00 H new ATOM 0 HG SER B 178 113.094 138.775 31.365 1.00 0.00 H new ATOM 361 N GLN B 179 113.444 141.208 33.926 1.00 0.00 N ATOM 362 CA GLN B 179 112.255 141.445 34.736 1.00 0.00 C ATOM 363 C GLN B 179 111.004 141.450 33.864 1.00 0.00 C ATOM 364 O GLN B 179 109.952 140.952 34.264 1.00 0.00 O ATOM 365 CB GLN B 179 112.377 142.783 35.465 1.00 0.00 C ATOM 366 CG GLN B 179 113.455 142.681 36.546 1.00 0.00 C ATOM 367 CD GLN B 179 113.573 144.005 37.293 1.00 0.00 C ATOM 368 OE1 GLN B 179 112.563 144.644 37.588 1.00 0.00 O ATOM 369 NE2 GLN B 179 114.753 144.457 37.617 1.00 0.00 N ATOM 0 H GLN B 179 114.100 141.988 33.896 1.00 0.00 H new ATOM 0 HA GLN B 179 112.171 140.641 35.467 1.00 0.00 H new ATOM 0 HB2 GLN B 179 112.631 143.572 34.758 1.00 0.00 H new ATOM 0 HB3 GLN B 179 111.421 143.052 35.914 1.00 0.00 H new ATOM 0 HG2 GLN B 179 113.207 141.881 37.244 1.00 0.00 H new ATOM 0 HG3 GLN B 179 114.412 142.423 36.093 1.00 0.00 H new ATOM 0 HE21 GLN B 179 115.588 143.925 37.371 1.00 0.00 H new ATOM 0 HE22 GLN B 179 114.841 145.342 38.116 1.00 0.00 H new ATOM 378 N GLU B 180 111.128 142.017 32.666 1.00 0.00 N ATOM 379 CA GLU B 180 109.994 142.093 31.749 1.00 0.00 C ATOM 380 C GLU B 180 109.450 140.698 31.457 1.00 0.00 C ATOM 381 O GLU B 180 108.237 140.481 31.475 1.00 0.00 O ATOM 382 CB GLU B 180 110.429 142.756 30.441 1.00 0.00 C ATOM 383 CG GLU B 180 110.764 144.226 30.699 1.00 0.00 C ATOM 384 CD GLU B 180 109.495 144.996 31.050 1.00 0.00 C ATOM 385 OE1 GLU B 180 108.423 144.509 30.731 1.00 0.00 O ATOM 386 OE2 GLU B 180 109.614 146.062 31.631 1.00 0.00 O ATOM 0 H GLU B 180 111.992 142.426 32.311 1.00 0.00 H new ATOM 0 HA GLU B 180 109.209 142.687 32.216 1.00 0.00 H new ATOM 0 HB2 GLU B 180 111.298 142.241 30.032 1.00 0.00 H new ATOM 0 HB3 GLU B 180 109.634 142.678 29.700 1.00 0.00 H new ATOM 0 HG2 GLU B 180 111.485 144.306 31.513 1.00 0.00 H new ATOM 0 HG3 GLU B 180 111.231 144.662 29.816 1.00 0.00 H new ATOM 393 N VAL B 181 110.350 139.758 31.196 1.00 0.00 N ATOM 394 CA VAL B 181 109.948 138.381 30.930 1.00 0.00 C ATOM 395 C VAL B 181 109.238 137.790 32.146 1.00 0.00 C ATOM 396 O VAL B 181 108.209 137.128 32.013 1.00 0.00 O ATOM 397 CB VAL B 181 111.176 137.535 30.591 1.00 0.00 C ATOM 398 CG1 VAL B 181 110.780 136.058 30.540 1.00 0.00 C ATOM 399 CG2 VAL B 181 111.725 137.962 29.228 1.00 0.00 C ATOM 0 H VAL B 181 111.356 139.921 31.163 1.00 0.00 H new ATOM 0 HA VAL B 181 109.262 138.377 30.083 1.00 0.00 H new ATOM 0 HB VAL B 181 111.940 137.680 31.355 1.00 0.00 H new ATOM 0 HG11 VAL B 181 111.655 135.455 30.298 1.00 0.00 H new ATOM 0 HG12 VAL B 181 110.386 135.753 31.509 1.00 0.00 H new ATOM 0 HG13 VAL B 181 110.017 135.912 29.776 1.00 0.00 H new ATOM 0 HG21 VAL B 181 112.601 137.361 28.984 1.00 0.00 H new ATOM 0 HG22 VAL B 181 110.960 137.816 28.466 1.00 0.00 H new ATOM 0 HG23 VAL B 181 112.006 139.015 29.262 1.00 0.00 H new ATOM 409 N LYS B 182 109.799 138.031 33.327 1.00 0.00 N ATOM 410 CA LYS B 182 109.204 137.527 34.558 1.00 0.00 C ATOM 411 C LYS B 182 107.829 138.151 34.783 1.00 0.00 C ATOM 412 O LYS B 182 106.890 137.472 35.199 1.00 0.00 O ATOM 413 CB LYS B 182 110.111 137.851 35.748 1.00 0.00 C ATOM 414 CG LYS B 182 109.609 137.114 36.991 1.00 0.00 C ATOM 415 CD LYS B 182 110.211 135.708 37.030 1.00 0.00 C ATOM 416 CE LYS B 182 109.740 134.986 38.293 1.00 0.00 C ATOM 417 NZ LYS B 182 110.288 135.677 39.494 1.00 0.00 N ATOM 0 H LYS B 182 110.657 138.567 33.457 1.00 0.00 H new ATOM 0 HA LYS B 182 109.092 136.446 34.469 1.00 0.00 H new ATOM 0 HB2 LYS B 182 111.137 137.556 35.527 1.00 0.00 H new ATOM 0 HB3 LYS B 182 110.120 138.926 35.929 1.00 0.00 H new ATOM 0 HG2 LYS B 182 109.886 137.665 37.890 1.00 0.00 H new ATOM 0 HG3 LYS B 182 108.521 137.055 36.977 1.00 0.00 H new ATOM 0 HD2 LYS B 182 109.911 135.148 36.145 1.00 0.00 H new ATOM 0 HD3 LYS B 182 111.299 135.766 37.016 1.00 0.00 H new ATOM 0 HE2 LYS B 182 108.651 134.974 38.333 1.00 0.00 H new ATOM 0 HE3 LYS B 182 110.070 133.947 38.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 182 110.282 135.024 40.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 182 111.263 135.983 39.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 182 109.701 136.507 39.715 1.00 0.00 H new ATOM 431 N ASN B 183 107.720 139.447 34.505 1.00 0.00 N ATOM 432 CA ASN B 183 106.458 140.152 34.698 1.00 0.00 C ATOM 433 C ASN B 183 105.353 139.517 33.859 1.00 0.00 C ATOM 434 O ASN B 183 104.272 139.218 34.367 1.00 0.00 O ATOM 435 CB ASN B 183 106.619 141.622 34.300 1.00 0.00 C ATOM 436 CG ASN B 183 105.300 142.362 34.495 1.00 0.00 C ATOM 437 OD1 ASN B 183 104.509 142.482 33.560 1.00 0.00 O ATOM 438 ND2 ASN B 183 105.014 142.869 35.663 1.00 0.00 N ATOM 0 H ASN B 183 108.482 140.025 34.149 1.00 0.00 H new ATOM 0 HA ASN B 183 106.183 140.085 35.751 1.00 0.00 H new ATOM 0 HB2 ASN B 183 107.399 142.087 34.903 1.00 0.00 H new ATOM 0 HB3 ASN B 183 106.935 141.693 33.259 1.00 0.00 H new ATOM 0 HD21 ASN B 183 104.134 143.365 35.802 1.00 0.00 H new ATOM 0 HD22 ASN B 183 105.671 142.769 36.437 1.00 0.00 H new ATOM 445 N TRP B 184 105.635 139.310 32.577 1.00 0.00 N ATOM 446 CA TRP B 184 104.662 138.696 31.682 1.00 0.00 C ATOM 447 C TRP B 184 104.440 137.231 32.050 1.00 0.00 C ATOM 448 O TRP B 184 103.305 136.770 32.144 1.00 0.00 O ATOM 449 CB TRP B 184 105.149 138.792 30.236 1.00 0.00 C ATOM 450 CG TRP B 184 104.349 137.867 29.374 1.00 0.00 C ATOM 451 CD1 TRP B 184 103.228 138.203 28.703 1.00 0.00 C ATOM 452 CD2 TRP B 184 104.589 136.457 29.092 1.00 0.00 C ATOM 453 NE1 TRP B 184 102.765 137.095 28.017 1.00 0.00 N ATOM 454 CE2 TRP B 184 103.570 135.993 28.228 1.00 0.00 C ATOM 455 CE3 TRP B 184 105.583 135.547 29.494 1.00 0.00 C ATOM 456 CZ2 TRP B 184 103.537 134.672 27.779 1.00 0.00 C ATOM 457 CZ3 TRP B 184 105.552 134.217 29.046 1.00 0.00 C ATOM 458 CH2 TRP B 184 104.531 133.780 28.190 1.00 0.00 C ATOM 0 H TRP B 184 106.522 139.556 32.137 1.00 0.00 H new ATOM 0 HA TRP B 184 103.717 139.230 31.784 1.00 0.00 H new ATOM 0 HB2 TRP B 184 105.051 139.816 29.876 1.00 0.00 H new ATOM 0 HB3 TRP B 184 106.207 138.534 30.180 1.00 0.00 H new ATOM 0 HD1 TRP B 184 102.767 139.179 28.702 1.00 0.00 H new ATOM 0 HE1 TRP B 184 101.932 137.092 27.428 1.00 0.00 H new ATOM 0 HE3 TRP B 184 106.375 135.873 30.152 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 102.749 134.342 27.119 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 106.319 133.526 29.363 1.00 0.00 H new ATOM 0 HH2 TRP B 184 104.513 132.755 27.849 1.00 0.00 H new ATOM 469 N MET B 185 105.539 136.510 32.261 1.00 0.00 N ATOM 470 CA MET B 185 105.450 135.092 32.585 1.00 0.00 C ATOM 471 C MET B 185 104.567 134.877 33.810 1.00 0.00 C ATOM 472 O MET B 185 103.682 134.020 33.804 1.00 0.00 O ATOM 473 CB MET B 185 106.852 134.536 32.866 1.00 0.00 C ATOM 474 CG MET B 185 106.771 133.022 33.060 1.00 0.00 C ATOM 475 SD MET B 185 108.441 132.325 33.074 1.00 0.00 S ATOM 476 CE MET B 185 108.841 132.666 31.342 1.00 0.00 C ATOM 0 H MET B 185 106.488 136.880 32.214 1.00 0.00 H new ATOM 0 HA MET B 185 105.010 134.570 31.736 1.00 0.00 H new ATOM 0 HB2 MET B 185 107.521 134.772 32.038 1.00 0.00 H new ATOM 0 HB3 MET B 185 107.269 135.006 33.757 1.00 0.00 H new ATOM 0 HG2 MET B 185 106.261 132.791 33.995 1.00 0.00 H new ATOM 0 HG3 MET B 185 106.185 132.573 32.258 1.00 0.00 H new ATOM 0 HE1 MET B 185 109.492 131.881 30.957 1.00 0.00 H new ATOM 0 HE2 MET B 185 107.923 132.696 30.756 1.00 0.00 H new ATOM 0 HE3 MET B 185 109.350 133.627 31.268 1.00 0.00 H new ATOM 486 N THR B 186 104.806 135.662 34.855 1.00 0.00 N ATOM 487 CA THR B 186 104.040 135.528 36.084 1.00 0.00 C ATOM 488 C THR B 186 102.644 136.112 35.922 1.00 0.00 C ATOM 489 O THR B 186 101.644 135.420 36.107 1.00 0.00 O ATOM 490 CB THR B 186 104.764 136.248 37.230 1.00 0.00 C ATOM 491 OG1 THR B 186 105.040 137.587 36.843 1.00 0.00 O ATOM 492 CG2 THR B 186 106.074 135.525 37.545 1.00 0.00 C ATOM 0 H THR B 186 105.519 136.392 34.874 1.00 0.00 H new ATOM 0 HA THR B 186 103.949 134.466 36.314 1.00 0.00 H new ATOM 0 HB THR B 186 104.131 136.248 38.118 1.00 0.00 H new ATOM 0 HG1 THR B 186 105.957 137.647 36.503 1.00 0.00 H new ATOM 0 HG21 THR B 186 106.586 136.038 38.359 1.00 0.00 H new ATOM 0 HG22 THR B 186 105.861 134.498 37.841 1.00 0.00 H new ATOM 0 HG23 THR B 186 106.710 135.523 36.660 1.00 0.00 H new ATOM 500 N GLU B 187 102.582 137.393 35.564 1.00 0.00 N ATOM 501 CA GLU B 187 101.300 138.071 35.439 1.00 0.00 C ATOM 502 C GLU B 187 100.409 137.368 34.423 1.00 0.00 C ATOM 503 O GLU B 187 99.248 137.066 34.707 1.00 0.00 O ATOM 504 CB GLU B 187 101.524 139.525 34.999 1.00 0.00 C ATOM 505 CG GLU B 187 100.200 140.289 35.066 1.00 0.00 C ATOM 506 CD GLU B 187 99.736 140.403 36.514 1.00 0.00 C ATOM 507 OE1 GLU B 187 99.048 139.504 36.968 1.00 0.00 O ATOM 508 OE2 GLU B 187 100.075 141.389 37.149 1.00 0.00 O ATOM 0 H GLU B 187 103.395 137.974 35.358 1.00 0.00 H new ATOM 0 HA GLU B 187 100.806 138.049 36.410 1.00 0.00 H new ATOM 0 HB2 GLU B 187 102.264 140.001 35.643 1.00 0.00 H new ATOM 0 HB3 GLU B 187 101.921 139.552 33.984 1.00 0.00 H new ATOM 0 HG2 GLU B 187 100.322 141.283 34.635 1.00 0.00 H new ATOM 0 HG3 GLU B 187 99.444 139.775 34.473 1.00 0.00 H new ATOM 515 N THR B 188 100.961 137.105 33.243 1.00 0.00 N ATOM 516 CA THR B 188 100.182 136.494 32.174 1.00 0.00 C ATOM 517 C THR B 188 99.713 135.100 32.571 1.00 0.00 C ATOM 518 O THR B 188 98.524 134.787 32.491 1.00 0.00 O ATOM 519 CB THR B 188 101.033 136.401 30.901 1.00 0.00 C ATOM 520 OG1 THR B 188 101.652 137.656 30.656 1.00 0.00 O ATOM 521 CG2 THR B 188 100.140 136.031 29.714 1.00 0.00 C ATOM 0 H THR B 188 101.933 137.303 33.005 1.00 0.00 H new ATOM 0 HA THR B 188 99.307 137.117 31.990 1.00 0.00 H new ATOM 0 HB THR B 188 101.798 135.636 31.030 1.00 0.00 H new ATOM 0 HG1 THR B 188 102.179 137.606 29.831 1.00 0.00 H new ATOM 0 HG21 THR B 188 100.745 135.965 28.810 1.00 0.00 H new ATOM 0 HG22 THR B 188 99.664 135.069 29.903 1.00 0.00 H new ATOM 0 HG23 THR B 188 99.374 136.795 29.583 1.00 0.00 H new ATOM 529 N LEU B 189 100.652 134.269 33.009 1.00 0.00 N ATOM 530 CA LEU B 189 100.329 132.896 33.385 1.00 0.00 C ATOM 531 C LEU B 189 99.513 132.873 34.673 1.00 0.00 C ATOM 532 O LEU B 189 98.672 131.995 34.870 1.00 0.00 O ATOM 533 CB LEU B 189 101.616 132.092 33.577 1.00 0.00 C ATOM 534 CG LEU B 189 102.437 132.126 32.286 1.00 0.00 C ATOM 535 CD1 LEU B 189 103.746 131.360 32.495 1.00 0.00 C ATOM 536 CD2 LEU B 189 101.639 131.473 31.156 1.00 0.00 C ATOM 0 H LEU B 189 101.636 134.518 33.112 1.00 0.00 H new ATOM 0 HA LEU B 189 99.738 132.448 32.586 1.00 0.00 H new ATOM 0 HB2 LEU B 189 102.197 132.507 34.401 1.00 0.00 H new ATOM 0 HB3 LEU B 189 101.378 131.062 33.842 1.00 0.00 H new ATOM 0 HG LEU B 189 102.658 133.160 32.023 1.00 0.00 H new ATOM 0 HD11 LEU B 189 104.332 131.383 31.576 1.00 0.00 H new ATOM 0 HD12 LEU B 189 104.315 131.825 33.300 1.00 0.00 H new ATOM 0 HD13 LEU B 189 103.524 130.326 32.758 1.00 0.00 H new ATOM 0 HD21 LEU B 189 102.224 131.497 30.236 1.00 0.00 H new ATOM 0 HD22 LEU B 189 101.417 130.438 31.418 1.00 0.00 H new ATOM 0 HD23 LEU B 189 100.706 132.017 31.007 1.00 0.00 H new ATOM 548 N LEU B 190 99.768 133.842 35.546 1.00 0.00 N ATOM 549 CA LEU B 190 99.042 133.929 36.809 1.00 0.00 C ATOM 550 C LEU B 190 97.541 134.041 36.554 1.00 0.00 C ATOM 551 O LEU B 190 96.743 133.339 37.175 1.00 0.00 O ATOM 552 CB LEU B 190 99.520 135.145 37.603 1.00 0.00 C ATOM 553 CG LEU B 190 98.643 135.321 38.844 1.00 0.00 C ATOM 554 CD1 LEU B 190 98.706 134.054 39.699 1.00 0.00 C ATOM 555 CD2 LEU B 190 99.152 136.512 39.660 1.00 0.00 C ATOM 0 H LEU B 190 100.466 134.573 35.405 1.00 0.00 H new ATOM 0 HA LEU B 190 99.236 133.023 37.383 1.00 0.00 H new ATOM 0 HB2 LEU B 190 100.562 135.015 37.896 1.00 0.00 H new ATOM 0 HB3 LEU B 190 99.473 136.039 36.982 1.00 0.00 H new ATOM 0 HG LEU B 190 97.612 135.501 38.538 1.00 0.00 H new ATOM 0 HD11 LEU B 190 98.081 134.180 40.583 1.00 0.00 H new ATOM 0 HD12 LEU B 190 98.346 133.205 39.118 1.00 0.00 H new ATOM 0 HD13 LEU B 190 99.736 133.873 40.006 1.00 0.00 H new ATOM 0 HD21 LEU B 190 98.529 136.640 40.545 1.00 0.00 H new ATOM 0 HD22 LEU B 190 100.183 136.330 39.965 1.00 0.00 H new ATOM 0 HD23 LEU B 190 99.108 137.415 39.052 1.00 0.00 H new ATOM 567 N VAL B 191 97.166 134.931 35.642 1.00 0.00 N ATOM 568 CA VAL B 191 95.759 135.114 35.300 1.00 0.00 C ATOM 569 C VAL B 191 95.206 133.860 34.626 1.00 0.00 C ATOM 570 O VAL B 191 94.108 133.405 34.945 1.00 0.00 O ATOM 571 CB VAL B 191 95.601 136.311 34.363 1.00 0.00 C ATOM 572 CG1 VAL B 191 94.159 136.375 33.854 1.00 0.00 C ATOM 573 CG2 VAL B 191 95.930 137.597 35.122 1.00 0.00 C ATOM 0 H VAL B 191 97.810 135.533 35.129 1.00 0.00 H new ATOM 0 HA VAL B 191 95.201 135.297 36.218 1.00 0.00 H new ATOM 0 HB VAL B 191 96.280 136.203 33.517 1.00 0.00 H new ATOM 0 HG11 VAL B 191 94.047 137.229 33.186 1.00 0.00 H new ATOM 0 HG12 VAL B 191 93.923 135.458 33.314 1.00 0.00 H new ATOM 0 HG13 VAL B 191 93.479 136.484 34.699 1.00 0.00 H new ATOM 0 HG21 VAL B 191 95.818 138.452 34.455 1.00 0.00 H new ATOM 0 HG22 VAL B 191 95.250 137.705 35.967 1.00 0.00 H new ATOM 0 HG23 VAL B 191 96.957 137.553 35.485 1.00 0.00 H new ATOM 583 N GLN B 192 95.974 133.310 33.691 1.00 0.00 N ATOM 584 CA GLN B 192 95.554 132.105 32.983 1.00 0.00 C ATOM 585 C GLN B 192 95.396 130.940 33.956 1.00 0.00 C ATOM 586 O GLN B 192 94.424 130.187 33.884 1.00 0.00 O ATOM 587 CB GLN B 192 96.584 131.742 31.912 1.00 0.00 C ATOM 588 CG GLN B 192 96.110 130.506 31.146 1.00 0.00 C ATOM 589 CD GLN B 192 97.038 130.236 29.967 1.00 0.00 C ATOM 590 OE1 GLN B 192 97.237 131.108 29.120 1.00 0.00 O ATOM 591 NE2 GLN B 192 97.622 129.074 29.860 1.00 0.00 N ATOM 0 H GLN B 192 96.883 133.675 33.407 1.00 0.00 H new ATOM 0 HA GLN B 192 94.592 132.301 32.509 1.00 0.00 H new ATOM 0 HB2 GLN B 192 96.721 132.578 31.226 1.00 0.00 H new ATOM 0 HB3 GLN B 192 97.552 131.547 32.374 1.00 0.00 H new ATOM 0 HG2 GLN B 192 96.091 129.642 31.810 1.00 0.00 H new ATOM 0 HG3 GLN B 192 95.091 130.657 30.790 1.00 0.00 H new ATOM 0 HE21 GLN B 192 97.456 128.353 30.562 1.00 0.00 H new ATOM 0 HE22 GLN B 192 98.245 128.887 29.074 1.00 0.00 H new ATOM 600 N ASN B 193 96.356 130.799 34.864 1.00 0.00 N ATOM 601 CA ASN B 193 96.311 129.725 35.849 1.00 0.00 C ATOM 602 C ASN B 193 95.396 130.103 37.011 1.00 0.00 C ATOM 603 O ASN B 193 95.088 131.276 37.140 1.00 0.00 O ATOM 604 CB ASN B 193 97.718 129.440 36.376 1.00 0.00 C ATOM 605 CG ASN B 193 97.702 128.194 37.256 1.00 0.00 C ATOM 606 OD1 ASN B 193 96.662 127.836 37.808 1.00 0.00 O ATOM 607 ND2 ASN B 193 98.800 127.508 37.418 1.00 0.00 N ATOM 0 H ASN B 193 97.169 131.410 34.938 1.00 0.00 H new ATOM 0 HA ASN B 193 95.917 128.830 35.367 1.00 0.00 H new ATOM 0 HB2 ASN B 193 98.406 129.298 35.542 1.00 0.00 H new ATOM 0 HB3 ASN B 193 98.081 130.294 36.947 1.00 0.00 H new ATOM 0 HD21 ASN B 193 98.798 126.673 38.003 1.00 0.00 H new ATOM 0 HD22 ASN B 193 99.661 127.807 36.959 1.00 0.00 H new TER 614 ASN B 193