USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 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 17 ASN : amide:sc= -0.969 K(o=-0.97,f=-9.2!) USER MOD Set 1.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 TYR OH : rot 7:sc= 0.858 USER MOD Set 2.2: A 27 ASN : amide:sc= 0.265 K(o=1.1,f=0.24) USER MOD Single : A 2 SER OG : rot 34:sc= 0.111 USER MOD Single : A 9 SER OG : rot -114:sc= -0.285 USER MOD Single : A 10 ASN : amide:sc= -0.896 K(o=-0.9,f=-2.2!) USER MOD Single : A 16 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0736) USER MOD Single : A 26 THR OG1 : rot -150:sc= -2.17 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00272 USER MOD Single : A 32 ASN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc=-0.00418 K(o=-0.0042,f=-2.5) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.022 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 34:sc= 0.73! USER MOD Single : A 49 THR OG1 : rot -82:sc= 0.239 USER MOD Single : A 50 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0695) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 257 SER OG : rot 37:sc= 0.214 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : B 262 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 122.852 -1.423 0.431 1.00 0.00 N ATOM 45 CA SER A 2 123.001 -0.252 1.347 1.00 0.00 C ATOM 46 C SER A 2 121.931 0.801 1.039 1.00 0.00 C ATOM 47 O SER A 2 121.104 0.617 0.165 1.00 0.00 O ATOM 48 CB SER A 2 124.396 0.301 1.059 1.00 0.00 C ATOM 49 OG SER A 2 125.370 -0.657 1.450 1.00 0.00 O ATOM 0 HA SER A 2 122.881 -0.529 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.498 0.528 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 2 124.549 1.234 1.601 1.00 0.00 H new ATOM 0 HG SER A 2 125.023 -1.560 1.292 1.00 0.00 H new ATOM 55 N VAL A 3 121.946 1.901 1.754 1.00 0.00 N ATOM 56 CA VAL A 3 120.919 2.974 1.527 1.00 0.00 C ATOM 57 C VAL A 3 121.095 3.595 0.132 1.00 0.00 C ATOM 58 O VAL A 3 120.145 4.079 -0.458 1.00 0.00 O ATOM 59 CB VAL A 3 121.160 4.024 2.625 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.124 5.149 2.506 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.027 3.370 4.005 1.00 0.00 C ATOM 0 H VAL A 3 122.626 2.105 2.487 1.00 0.00 H new ATOM 0 HA VAL A 3 119.904 2.578 1.572 1.00 0.00 H new ATOM 0 HB VAL A 3 122.163 4.434 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.300 5.890 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.213 5.623 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.122 4.734 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.198 4.117 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.025 2.955 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.763 2.572 4.102 1.00 0.00 H new ATOM 71 N ALA A 4 122.300 3.586 -0.398 1.00 0.00 N ATOM 72 CA ALA A 4 122.551 4.210 -1.743 1.00 0.00 C ATOM 73 C ALA A 4 121.619 3.602 -2.797 1.00 0.00 C ATOM 74 O ALA A 4 121.210 4.264 -3.733 1.00 0.00 O ATOM 75 CB ALA A 4 124.010 3.883 -2.075 1.00 0.00 C ATOM 0 H ALA A 4 123.122 3.173 0.043 1.00 0.00 H new ATOM 0 HA ALA A 4 122.365 5.284 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.266 4.307 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.661 4.307 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.143 2.802 -2.106 1.00 0.00 H new ATOM 81 N ASP A 5 121.287 2.344 -2.642 1.00 0.00 N ATOM 82 CA ASP A 5 120.290 1.705 -3.559 1.00 0.00 C ATOM 83 C ASP A 5 118.898 2.297 -3.313 1.00 0.00 C ATOM 84 O ASP A 5 118.107 2.446 -4.226 1.00 0.00 O ATOM 85 CB ASP A 5 120.307 0.214 -3.208 1.00 0.00 C ATOM 86 CG ASP A 5 121.637 -0.405 -3.648 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.662 0.217 -3.425 1.00 0.00 O ATOM 88 OD2 ASP A 5 121.606 -1.492 -4.201 1.00 0.00 O ATOM 0 H ASP A 5 121.663 1.730 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 5 120.532 1.873 -4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.171 0.082 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 5 119.478 -0.295 -3.700 1.00 0.00 H new ATOM 93 N PHE A 6 118.602 2.635 -2.081 1.00 0.00 N ATOM 94 CA PHE A 6 117.274 3.246 -1.753 1.00 0.00 C ATOM 95 C PHE A 6 117.371 4.780 -1.680 1.00 0.00 C ATOM 96 O PHE A 6 116.444 5.439 -1.247 1.00 0.00 O ATOM 97 CB PHE A 6 116.904 2.668 -0.387 1.00 0.00 C ATOM 98 CG PHE A 6 116.723 1.169 -0.399 1.00 0.00 C ATOM 99 CD1 PHE A 6 117.839 0.320 -0.204 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.437 0.611 -0.606 1.00 0.00 C ATOM 101 CE1 PHE A 6 117.671 -1.086 -0.215 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.268 -0.794 -0.617 1.00 0.00 C ATOM 103 CZ PHE A 6 116.386 -1.643 -0.422 1.00 0.00 C ATOM 0 H PHE A 6 119.227 2.513 -1.284 1.00 0.00 H new ATOM 0 HA PHE A 6 116.527 3.023 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 6 117.682 2.927 0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 6 115.982 3.135 -0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 6 118.819 0.745 -0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.585 1.258 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 6 118.523 -1.733 -0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.288 -1.219 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.258 -2.715 -0.431 1.00 0.00 H new ATOM 113 N TYR A 7 118.479 5.353 -2.098 1.00 0.00 N ATOM 114 CA TYR A 7 118.629 6.845 -2.046 1.00 0.00 C ATOM 115 C TYR A 7 117.662 7.505 -3.039 1.00 0.00 C ATOM 116 O TYR A 7 117.615 7.147 -4.202 1.00 0.00 O ATOM 117 CB TYR A 7 120.080 7.100 -2.469 1.00 0.00 C ATOM 118 CG TYR A 7 120.668 8.396 -1.952 1.00 0.00 C ATOM 119 CD1 TYR A 7 119.951 9.612 -2.081 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.955 8.397 -1.359 1.00 0.00 C ATOM 121 CE1 TYR A 7 120.521 10.823 -1.621 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.520 9.609 -0.892 1.00 0.00 C ATOM 123 CZ TYR A 7 121.805 10.820 -1.025 1.00 0.00 C ATOM 124 OH TYR A 7 122.369 12.000 -0.586 1.00 0.00 O ATOM 0 H TYR A 7 119.285 4.852 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 7 118.406 7.255 -1.061 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.697 6.272 -2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 7 120.133 7.101 -3.558 1.00 0.00 H new ATOM 0 HD1 TYR A 7 118.969 9.614 -2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.506 7.473 -1.263 1.00 0.00 H new ATOM 0 HE1 TYR A 7 119.976 11.750 -1.725 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.498 9.607 -0.434 1.00 0.00 H new ATOM 0 HH TYR A 7 121.712 12.724 -0.660 1.00 0.00 H new ATOM 134 N GLY A 8 116.893 8.465 -2.582 1.00 0.00 N ATOM 135 CA GLY A 8 115.867 9.108 -3.462 1.00 0.00 C ATOM 136 C GLY A 8 114.579 8.267 -3.506 1.00 0.00 C ATOM 137 O GLY A 8 113.625 8.640 -4.165 1.00 0.00 O ATOM 0 H GLY A 8 116.933 8.832 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.641 10.108 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.266 9.223 -4.470 1.00 0.00 H new ATOM 141 N SER A 9 114.535 7.142 -2.823 1.00 0.00 N ATOM 142 CA SER A 9 113.276 6.332 -2.793 1.00 0.00 C ATOM 143 C SER A 9 112.251 6.975 -1.851 1.00 0.00 C ATOM 144 O SER A 9 112.593 7.443 -0.780 1.00 0.00 O ATOM 145 CB SER A 9 113.692 4.953 -2.268 1.00 0.00 C ATOM 146 OG SER A 9 113.970 5.036 -0.875 1.00 0.00 O ATOM 0 H SER A 9 115.313 6.755 -2.289 1.00 0.00 H new ATOM 0 HA SER A 9 112.810 6.268 -3.776 1.00 0.00 H new ATOM 0 HB2 SER A 9 112.897 4.229 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.572 4.599 -2.804 1.00 0.00 H new ATOM 0 HG SER A 9 114.922 4.862 -0.720 1.00 0.00 H new ATOM 152 N ASN A 10 111.002 7.000 -2.245 1.00 0.00 N ATOM 153 CA ASN A 10 109.930 7.492 -1.325 1.00 0.00 C ATOM 154 C ASN A 10 109.470 6.357 -0.414 1.00 0.00 C ATOM 155 O ASN A 10 108.979 5.340 -0.872 1.00 0.00 O ATOM 156 CB ASN A 10 108.785 7.942 -2.235 1.00 0.00 C ATOM 157 CG ASN A 10 107.924 8.972 -1.503 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.676 8.844 -0.320 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.455 9.998 -2.159 1.00 0.00 N ATOM 0 H ASN A 10 110.678 6.701 -3.165 1.00 0.00 H new ATOM 0 HA ASN A 10 110.277 8.304 -0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 10 109.184 8.373 -3.153 1.00 0.00 H new ATOM 0 HB3 ASN A 10 108.178 7.084 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 10 106.881 10.691 -1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.662 10.107 -3.152 1.00 0.00 H new ATOM 166 N VAL A 11 109.626 6.526 0.872 1.00 0.00 N ATOM 167 CA VAL A 11 109.214 5.458 1.831 1.00 0.00 C ATOM 168 C VAL A 11 108.599 6.101 3.075 1.00 0.00 C ATOM 169 O VAL A 11 108.762 7.285 3.308 1.00 0.00 O ATOM 170 CB VAL A 11 110.501 4.687 2.183 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.081 4.047 0.917 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.545 5.637 2.790 1.00 0.00 C ATOM 0 H VAL A 11 110.023 7.361 1.302 1.00 0.00 H new ATOM 0 HA VAL A 11 108.465 4.787 1.409 1.00 0.00 H new ATOM 0 HB VAL A 11 110.255 3.914 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 11 111.991 3.502 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.352 3.358 0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.313 4.825 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.448 5.077 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.786 6.420 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 11 111.143 6.088 3.697 1.00 0.00 H new ATOM 182 N GLU A 12 107.897 5.335 3.873 1.00 0.00 N ATOM 183 CA GLU A 12 107.321 5.900 5.128 1.00 0.00 C ATOM 184 C GLU A 12 108.060 5.336 6.343 1.00 0.00 C ATOM 185 O GLU A 12 108.244 4.140 6.469 1.00 0.00 O ATOM 186 CB GLU A 12 105.858 5.448 5.128 1.00 0.00 C ATOM 187 CG GLU A 12 105.116 6.094 6.302 1.00 0.00 C ATOM 188 CD GLU A 12 103.674 5.585 6.339 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.437 4.582 6.992 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.831 6.207 5.713 1.00 0.00 O ATOM 0 H GLU A 12 107.700 4.348 3.709 1.00 0.00 H new ATOM 0 HA GLU A 12 107.411 6.985 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.382 5.726 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.803 4.362 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.620 5.857 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.127 7.179 6.200 1.00 0.00 H new ATOM 197 N VAL A 13 108.488 6.193 7.236 1.00 0.00 N ATOM 198 CA VAL A 13 109.222 5.723 8.448 1.00 0.00 C ATOM 199 C VAL A 13 108.319 5.841 9.681 1.00 0.00 C ATOM 200 O VAL A 13 107.761 6.888 9.953 1.00 0.00 O ATOM 201 CB VAL A 13 110.433 6.665 8.570 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.280 6.273 9.787 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.298 6.563 7.308 1.00 0.00 C ATOM 0 H VAL A 13 108.359 7.203 7.176 1.00 0.00 H new ATOM 0 HA VAL A 13 109.528 4.679 8.373 1.00 0.00 H new ATOM 0 HB VAL A 13 110.073 7.687 8.689 1.00 0.00 H new ATOM 0 HG11 VAL A 13 112.135 6.944 9.867 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.675 6.347 10.691 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.633 5.248 9.670 1.00 0.00 H new ATOM 0 HG21 VAL A 13 112.154 7.232 7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.649 5.538 7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.707 6.847 6.438 1.00 0.00 H new ATOM 213 N LEU A 14 108.175 4.771 10.422 1.00 0.00 N ATOM 214 CA LEU A 14 107.415 4.837 11.707 1.00 0.00 C ATOM 215 C LEU A 14 108.400 5.039 12.862 1.00 0.00 C ATOM 216 O LEU A 14 109.340 4.282 13.022 1.00 0.00 O ATOM 217 CB LEU A 14 106.709 3.478 11.818 1.00 0.00 C ATOM 218 CG LEU A 14 105.881 3.414 13.107 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.644 4.300 12.972 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.445 1.969 13.358 1.00 0.00 C ATOM 0 H LEU A 14 108.552 3.852 10.191 1.00 0.00 H new ATOM 0 HA LEU A 14 106.701 5.660 11.741 1.00 0.00 H new ATOM 0 HB2 LEU A 14 106.062 3.324 10.954 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.446 2.675 11.811 1.00 0.00 H new ATOM 0 HG LEU A 14 106.487 3.766 13.942 1.00 0.00 H new ATOM 0 HD11 LEU A 14 104.059 4.251 13.891 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.952 5.330 12.793 1.00 0.00 H new ATOM 0 HD13 LEU A 14 104.037 3.952 12.136 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.856 1.921 14.274 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.842 1.620 12.520 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.326 1.335 13.459 1.00 0.00 H new ATOM 232 N LEU A 15 108.191 6.052 13.663 1.00 0.00 N ATOM 233 CA LEU A 15 109.207 6.414 14.698 1.00 0.00 C ATOM 234 C LEU A 15 108.847 5.817 16.065 1.00 0.00 C ATOM 235 O LEU A 15 107.745 5.349 16.280 1.00 0.00 O ATOM 236 CB LEU A 15 109.187 7.943 14.754 1.00 0.00 C ATOM 237 CG LEU A 15 109.747 8.512 13.448 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.457 10.011 13.380 1.00 0.00 C ATOM 239 CD2 LEU A 15 111.260 8.284 13.399 1.00 0.00 C ATOM 0 H LEU A 15 107.361 6.644 13.646 1.00 0.00 H new ATOM 0 HA LEU A 15 110.193 6.023 14.448 1.00 0.00 H new ATOM 0 HB2 LEU A 15 108.168 8.298 14.910 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.780 8.294 15.599 1.00 0.00 H new ATOM 0 HG LEU A 15 109.276 8.011 12.602 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.856 10.417 12.450 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.380 10.175 13.415 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.928 10.512 14.226 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.659 8.689 12.469 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.731 8.785 14.245 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.469 7.215 13.448 1.00 0.00 H new ATOM 251 N ASN A 16 109.785 5.835 16.987 1.00 0.00 N ATOM 252 CA ASN A 16 109.558 5.221 18.344 1.00 0.00 C ATOM 253 C ASN A 16 108.349 5.852 19.055 1.00 0.00 C ATOM 254 O ASN A 16 107.772 5.261 19.950 1.00 0.00 O ATOM 255 CB ASN A 16 110.849 5.494 19.139 1.00 0.00 C ATOM 256 CG ASN A 16 111.123 7.003 19.219 1.00 0.00 C ATOM 257 OD1 ASN A 16 110.307 7.756 19.710 1.00 0.00 O ATOM 258 ND2 ASN A 16 112.247 7.474 18.751 1.00 0.00 N ATOM 0 H ASN A 16 110.707 6.252 16.858 1.00 0.00 H new ATOM 0 HA ASN A 16 109.341 4.156 18.261 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.758 5.081 20.144 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.690 4.991 18.662 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.440 8.475 18.798 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.933 6.841 18.338 1.00 0.00 H new ATOM 265 N ASN A 17 107.966 7.043 18.661 1.00 0.00 N ATOM 266 CA ASN A 17 106.824 7.740 19.332 1.00 0.00 C ATOM 267 C ASN A 17 105.506 7.458 18.587 1.00 0.00 C ATOM 268 O ASN A 17 104.598 8.263 18.617 1.00 0.00 O ATOM 269 CB ASN A 17 107.179 9.238 19.285 1.00 0.00 C ATOM 270 CG ASN A 17 107.268 9.737 17.834 1.00 0.00 C ATOM 271 OD1 ASN A 17 107.384 8.954 16.912 1.00 0.00 O ATOM 272 ND2 ASN A 17 107.217 11.019 17.596 1.00 0.00 N ATOM 0 H ASN A 17 108.398 7.565 17.899 1.00 0.00 H new ATOM 0 HA ASN A 17 106.678 7.396 20.356 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.425 9.811 19.825 1.00 0.00 H new ATOM 0 HB3 ASN A 17 108.130 9.406 19.790 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.274 11.362 16.637 1.00 0.00 H new ATOM 0 HD22 ASN A 17 107.120 11.678 18.369 1.00 0.00 H new ATOM 279 N ASP A 18 105.416 6.326 17.909 1.00 0.00 N ATOM 280 CA ASP A 18 104.124 5.866 17.287 1.00 0.00 C ATOM 281 C ASP A 18 103.521 6.963 16.389 1.00 0.00 C ATOM 282 O ASP A 18 102.323 7.027 16.192 1.00 0.00 O ATOM 283 CB ASP A 18 103.191 5.464 18.459 1.00 0.00 C ATOM 284 CG ASP A 18 102.547 6.682 19.138 1.00 0.00 C ATOM 285 OD1 ASP A 18 101.587 7.203 18.595 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.023 7.064 20.195 1.00 0.00 O ATOM 0 H ASP A 18 106.201 5.692 17.760 1.00 0.00 H new ATOM 0 HA ASP A 18 104.276 5.012 16.627 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.408 4.803 18.087 1.00 0.00 H new ATOM 0 HB3 ASP A 18 103.761 4.899 19.197 1.00 0.00 H new ATOM 291 N SER A 19 104.357 7.823 15.845 1.00 0.00 N ATOM 292 CA SER A 19 103.884 8.787 14.811 1.00 0.00 C ATOM 293 C SER A 19 104.426 8.363 13.444 1.00 0.00 C ATOM 294 O SER A 19 105.511 7.821 13.344 1.00 0.00 O ATOM 295 CB SER A 19 104.467 10.136 15.227 1.00 0.00 C ATOM 296 OG SER A 19 104.014 10.460 16.535 1.00 0.00 O ATOM 0 H SER A 19 105.348 7.893 16.078 1.00 0.00 H new ATOM 0 HA SER A 19 102.797 8.829 14.736 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.556 10.096 15.206 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.163 10.910 14.522 1.00 0.00 H new ATOM 0 HG SER A 19 104.388 11.325 16.806 1.00 0.00 H new ATOM 302 N LYS A 20 103.682 8.607 12.395 1.00 0.00 N ATOM 303 CA LYS A 20 104.099 8.114 11.047 1.00 0.00 C ATOM 304 C LYS A 20 104.530 9.281 10.156 1.00 0.00 C ATOM 305 O LYS A 20 104.016 10.379 10.265 1.00 0.00 O ATOM 306 CB LYS A 20 102.846 7.453 10.470 1.00 0.00 C ATOM 307 CG LYS A 20 102.546 6.165 11.235 1.00 0.00 C ATOM 308 CD LYS A 20 101.280 5.518 10.671 1.00 0.00 C ATOM 309 CE LYS A 20 100.911 4.293 11.511 1.00 0.00 C ATOM 310 NZ LYS A 20 100.165 4.841 12.679 1.00 0.00 N ATOM 0 H LYS A 20 102.804 9.126 12.414 1.00 0.00 H new ATOM 0 HA LYS A 20 104.945 7.430 11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.998 8.135 10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.993 7.234 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.387 5.476 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.415 6.382 12.295 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.460 6.236 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.441 5.225 9.633 1.00 0.00 H new ATOM 0 HE2 LYS A 20 100.297 3.594 10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.801 3.750 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.469 4.353 13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.360 5.859 12.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.145 4.695 12.539 1.00 0.00 H new ATOM 324 N ALA A 21 105.472 9.045 9.276 1.00 0.00 N ATOM 325 CA ALA A 21 105.891 10.107 8.310 1.00 0.00 C ATOM 326 C ALA A 21 106.447 9.469 7.034 1.00 0.00 C ATOM 327 O ALA A 21 106.895 8.339 7.047 1.00 0.00 O ATOM 328 CB ALA A 21 106.978 10.900 9.036 1.00 0.00 C ATOM 0 H ALA A 21 105.970 8.160 9.185 1.00 0.00 H new ATOM 0 HA ALA A 21 105.059 10.744 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.338 11.701 8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.567 11.329 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.806 10.237 9.287 1.00 0.00 H new ATOM 334 N ARG A 22 106.420 10.187 5.936 1.00 0.00 N ATOM 335 CA ARG A 22 106.978 9.639 4.661 1.00 0.00 C ATOM 336 C ARG A 22 107.649 10.749 3.852 1.00 0.00 C ATOM 337 O ARG A 22 107.298 11.908 3.966 1.00 0.00 O ATOM 338 CB ARG A 22 105.775 9.051 3.904 1.00 0.00 C ATOM 339 CG ARG A 22 104.730 10.140 3.623 1.00 0.00 C ATOM 340 CD ARG A 22 103.445 9.493 3.098 1.00 0.00 C ATOM 341 NE ARG A 22 102.547 10.635 2.728 1.00 0.00 N ATOM 342 CZ ARG A 22 101.501 10.461 1.941 1.00 0.00 C ATOM 343 NH1 ARG A 22 101.195 9.281 1.453 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.752 11.487 1.644 1.00 0.00 N ATOM 0 H ARG A 22 106.035 11.129 5.869 1.00 0.00 H new ATOM 0 HA ARG A 22 107.741 8.882 4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 22 106.109 8.609 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.325 8.250 4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.521 10.702 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 22 105.117 10.850 2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.649 8.858 2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.985 8.861 3.857 1.00 0.00 H new ATOM 0 HE ARG A 22 102.748 11.566 3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.771 8.470 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.381 9.175 0.847 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.978 12.409 2.018 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.941 11.368 1.037 1.00 0.00 H new ATOM 358 N GLY A 23 108.618 10.398 3.040 1.00 0.00 N ATOM 359 CA GLY A 23 109.314 11.426 2.211 1.00 0.00 C ATOM 360 C GLY A 23 110.247 10.726 1.221 1.00 0.00 C ATOM 361 O GLY A 23 110.456 9.529 1.299 1.00 0.00 O ATOM 0 H GLY A 23 108.955 9.443 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.584 12.033 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.883 12.102 2.850 1.00 0.00 H new ATOM 365 N VAL A 24 110.806 11.463 0.291 1.00 0.00 N ATOM 366 CA VAL A 24 111.807 10.864 -0.648 1.00 0.00 C ATOM 367 C VAL A 24 113.217 11.110 -0.104 1.00 0.00 C ATOM 368 O VAL A 24 113.595 12.230 0.177 1.00 0.00 O ATOM 369 CB VAL A 24 111.608 11.595 -1.987 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.531 10.989 -3.053 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.152 11.453 -2.449 1.00 0.00 C ATOM 0 H VAL A 24 110.612 12.453 0.142 1.00 0.00 H new ATOM 0 HA VAL A 24 111.679 9.788 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 24 111.847 12.650 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.386 11.511 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.569 11.093 -2.737 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.295 9.933 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 24 110.019 11.973 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.912 10.397 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.489 11.887 -1.701 1.00 0.00 H new ATOM 381 N ILE A 25 113.996 10.067 0.039 1.00 0.00 N ATOM 382 CA ILE A 25 115.311 10.191 0.754 1.00 0.00 C ATOM 383 C ILE A 25 116.254 11.151 0.011 1.00 0.00 C ATOM 384 O ILE A 25 116.347 11.137 -1.202 1.00 0.00 O ATOM 385 CB ILE A 25 115.877 8.756 0.796 1.00 0.00 C ATOM 386 CG1 ILE A 25 115.108 7.944 1.840 1.00 0.00 C ATOM 387 CG2 ILE A 25 117.370 8.761 1.160 1.00 0.00 C ATOM 388 CD1 ILE A 25 115.394 6.454 1.644 1.00 0.00 C ATOM 0 H ILE A 25 113.781 9.132 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 25 115.199 10.608 1.755 1.00 0.00 H new ATOM 0 HB ILE A 25 115.764 8.310 -0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 25 115.402 8.252 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 25 114.039 8.135 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.742 7.737 1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.924 9.333 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.504 9.217 2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.845 5.877 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.078 6.151 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.462 6.271 1.758 1.00 0.00 H new ATOM 400 N THR A 26 116.950 11.984 0.750 1.00 0.00 N ATOM 401 CA THR A 26 117.902 12.949 0.128 1.00 0.00 C ATOM 402 C THR A 26 119.331 12.749 0.652 1.00 0.00 C ATOM 403 O THR A 26 120.274 13.196 0.028 1.00 0.00 O ATOM 404 CB THR A 26 117.381 14.332 0.513 1.00 0.00 C ATOM 405 OG1 THR A 26 117.089 14.363 1.904 1.00 0.00 O ATOM 406 CG2 THR A 26 116.114 14.637 -0.286 1.00 0.00 C ATOM 0 H THR A 26 116.895 12.034 1.767 1.00 0.00 H new ATOM 0 HA THR A 26 117.954 12.812 -0.952 1.00 0.00 H new ATOM 0 HB THR A 26 118.140 15.082 0.290 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.360 14.996 2.071 1.00 0.00 H new ATOM 0 HG21 THR A 26 115.740 15.624 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.342 14.618 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.355 13.887 -0.064 1.00 0.00 H new ATOM 414 N ASN A 27 119.515 12.095 1.788 1.00 0.00 N ATOM 415 CA ASN A 27 120.916 11.804 2.252 1.00 0.00 C ATOM 416 C ASN A 27 120.938 10.750 3.363 1.00 0.00 C ATOM 417 O ASN A 27 119.958 10.529 4.048 1.00 0.00 O ATOM 418 CB ASN A 27 121.452 13.139 2.777 1.00 0.00 C ATOM 419 CG ASN A 27 122.973 13.180 2.620 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.699 13.057 3.587 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.490 13.349 1.434 1.00 0.00 N ATOM 0 H ASN A 27 118.771 11.758 2.399 1.00 0.00 H new ATOM 0 HA ASN A 27 121.522 11.401 1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.998 13.965 2.230 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.181 13.264 3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.503 13.378 1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 27 122.881 13.452 0.622 1.00 0.00 H new ATOM 428 N PHE A 28 122.067 10.101 3.530 1.00 0.00 N ATOM 429 CA PHE A 28 122.260 9.150 4.667 1.00 0.00 C ATOM 430 C PHE A 28 123.739 9.126 5.059 1.00 0.00 C ATOM 431 O PHE A 28 124.595 8.813 4.252 1.00 0.00 O ATOM 432 CB PHE A 28 121.816 7.786 4.138 1.00 0.00 C ATOM 433 CG PHE A 28 121.892 6.685 5.169 1.00 0.00 C ATOM 434 CD1 PHE A 28 120.775 6.410 5.995 1.00 0.00 C ATOM 435 CD2 PHE A 28 123.081 5.930 5.312 1.00 0.00 C ATOM 436 CE1 PHE A 28 120.847 5.379 6.964 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.153 4.898 6.280 1.00 0.00 C ATOM 438 CZ PHE A 28 122.036 4.623 7.106 1.00 0.00 C ATOM 0 H PHE A 28 122.875 10.194 2.914 1.00 0.00 H new ATOM 0 HA PHE A 28 121.691 9.433 5.552 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.791 7.862 3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.438 7.517 3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 28 119.868 6.986 5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.933 6.141 4.683 1.00 0.00 H new ATOM 0 HE1 PHE A 28 119.995 5.170 7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.060 4.321 6.388 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.091 3.837 7.844 1.00 0.00 H new ATOM 448 N ASP A 29 124.041 9.455 6.289 1.00 0.00 N ATOM 449 CA ASP A 29 125.466 9.526 6.725 1.00 0.00 C ATOM 450 C ASP A 29 125.834 8.232 7.440 1.00 0.00 C ATOM 451 O ASP A 29 125.124 7.795 8.318 1.00 0.00 O ATOM 452 CB ASP A 29 125.530 10.713 7.688 1.00 0.00 C ATOM 453 CG ASP A 29 126.989 11.009 8.041 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.470 10.445 9.009 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.599 11.796 7.336 1.00 0.00 O ATOM 0 H ASP A 29 123.358 9.678 7.013 1.00 0.00 H new ATOM 0 HA ASP A 29 126.159 9.651 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.071 11.590 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.964 10.491 8.593 1.00 0.00 H new ATOM 460 N SER A 30 126.929 7.617 7.072 1.00 0.00 N ATOM 461 CA SER A 30 127.294 6.304 7.692 1.00 0.00 C ATOM 462 C SER A 30 127.712 6.495 9.152 1.00 0.00 C ATOM 463 O SER A 30 127.196 5.843 10.041 1.00 0.00 O ATOM 464 CB SER A 30 128.465 5.771 6.864 1.00 0.00 C ATOM 465 OG SER A 30 128.769 4.445 7.279 1.00 0.00 O ATOM 0 H SER A 30 127.585 7.964 6.372 1.00 0.00 H new ATOM 0 HA SER A 30 126.452 5.612 7.694 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.211 5.783 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 30 129.337 6.413 6.991 1.00 0.00 H new ATOM 0 HG SER A 30 129.518 4.100 6.749 1.00 0.00 H new ATOM 471 N SER A 31 128.640 7.389 9.403 1.00 0.00 N ATOM 472 CA SER A 31 129.181 7.553 10.795 1.00 0.00 C ATOM 473 C SER A 31 128.065 7.946 11.770 1.00 0.00 C ATOM 474 O SER A 31 128.012 7.465 12.887 1.00 0.00 O ATOM 475 CB SER A 31 130.219 8.672 10.697 1.00 0.00 C ATOM 476 OG SER A 31 131.173 8.342 9.697 1.00 0.00 O ATOM 0 H SER A 31 129.047 8.013 8.706 1.00 0.00 H new ATOM 0 HA SER A 31 129.613 6.625 11.169 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.731 9.616 10.453 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.715 8.809 11.658 1.00 0.00 H new ATOM 0 HG SER A 31 131.839 9.058 9.631 1.00 0.00 H new ATOM 482 N ASN A 32 127.178 8.816 11.355 1.00 0.00 N ATOM 483 CA ASN A 32 126.096 9.292 12.274 1.00 0.00 C ATOM 484 C ASN A 32 124.744 8.637 11.944 1.00 0.00 C ATOM 485 O ASN A 32 123.799 8.765 12.702 1.00 0.00 O ATOM 486 CB ASN A 32 126.021 10.803 12.043 1.00 0.00 C ATOM 487 CG ASN A 32 127.322 11.464 12.511 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.935 12.211 11.774 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.770 11.220 13.711 1.00 0.00 N ATOM 0 H ASN A 32 127.156 9.218 10.418 1.00 0.00 H new ATOM 0 HA ASN A 32 126.313 9.034 13.311 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.856 11.011 10.986 1.00 0.00 H new ATOM 0 HB3 ASN A 32 125.174 11.222 12.586 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.635 11.656 14.031 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.256 10.593 14.330 1.00 0.00 H new ATOM 496 N SER A 33 124.635 7.936 10.829 1.00 0.00 N ATOM 497 CA SER A 33 123.307 7.372 10.391 1.00 0.00 C ATOM 498 C SER A 33 122.214 8.451 10.430 1.00 0.00 C ATOM 499 O SER A 33 121.292 8.391 11.226 1.00 0.00 O ATOM 500 CB SER A 33 123.001 6.237 11.374 1.00 0.00 C ATOM 501 OG SER A 33 124.153 5.414 11.515 1.00 0.00 O ATOM 0 H SER A 33 125.413 7.730 10.202 1.00 0.00 H new ATOM 0 HA SER A 33 123.340 7.012 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 33 122.712 6.647 12.342 1.00 0.00 H new ATOM 0 HB3 SER A 33 122.159 5.646 11.014 1.00 0.00 H new ATOM 0 HG SER A 33 123.961 4.688 12.145 1.00 0.00 H new ATOM 507 N ILE A 34 122.317 9.436 9.571 1.00 0.00 N ATOM 508 CA ILE A 34 121.342 10.574 9.608 1.00 0.00 C ATOM 509 C ILE A 34 120.631 10.675 8.259 1.00 0.00 C ATOM 510 O ILE A 34 121.262 10.771 7.226 1.00 0.00 O ATOM 511 CB ILE A 34 122.186 11.835 9.875 1.00 0.00 C ATOM 512 CG1 ILE A 34 123.033 11.661 11.157 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.265 13.054 10.026 1.00 0.00 C ATOM 514 CD1 ILE A 34 122.142 11.477 12.398 1.00 0.00 C ATOM 0 H ILE A 34 123.032 9.502 8.847 1.00 0.00 H new ATOM 0 HA ILE A 34 120.577 10.443 10.374 1.00 0.00 H new ATOM 0 HB ILE A 34 122.858 11.988 9.031 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.689 10.798 11.047 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.673 12.533 11.293 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.866 13.943 10.215 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.691 13.192 9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.583 12.893 10.861 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.769 11.357 13.282 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.504 12.352 12.521 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.521 10.591 12.272 1.00 0.00 H new ATOM 526 N LEU A 35 119.321 10.663 8.265 1.00 0.00 N ATOM 527 CA LEU A 35 118.558 10.558 6.985 1.00 0.00 C ATOM 528 C LEU A 35 117.729 11.820 6.750 1.00 0.00 C ATOM 529 O LEU A 35 116.861 12.157 7.533 1.00 0.00 O ATOM 530 CB LEU A 35 117.648 9.343 7.178 1.00 0.00 C ATOM 531 CG LEU A 35 116.930 9.017 5.867 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.890 8.294 4.922 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.728 8.117 6.162 1.00 0.00 C ATOM 0 H LEU A 35 118.746 10.722 9.105 1.00 0.00 H new ATOM 0 HA LEU A 35 119.212 10.451 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.236 8.485 7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.918 9.545 7.962 1.00 0.00 H new ATOM 0 HG LEU A 35 116.591 9.940 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.377 8.063 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.748 8.934 4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.231 7.369 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.213 7.882 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 35 116.071 7.194 6.630 1.00 0.00 H new ATOM 0 HD23 LEU A 35 115.043 8.633 6.835 1.00 0.00 H new ATOM 545 N GLN A 36 117.997 12.514 5.675 1.00 0.00 N ATOM 546 CA GLN A 36 117.114 13.645 5.268 1.00 0.00 C ATOM 547 C GLN A 36 116.036 13.130 4.320 1.00 0.00 C ATOM 548 O GLN A 36 116.331 12.428 3.371 1.00 0.00 O ATOM 549 CB GLN A 36 118.032 14.632 4.549 1.00 0.00 C ATOM 550 CG GLN A 36 118.872 15.388 5.578 1.00 0.00 C ATOM 551 CD GLN A 36 119.879 16.289 4.859 1.00 0.00 C ATOM 552 OE1 GLN A 36 120.389 15.940 3.814 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.189 17.445 5.381 1.00 0.00 N ATOM 0 H GLN A 36 118.793 12.345 5.060 1.00 0.00 H new ATOM 0 HA GLN A 36 116.611 14.110 6.116 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.681 14.101 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.440 15.333 3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.226 15.987 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.396 14.683 6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 36 119.761 17.739 6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 36 120.859 18.054 4.911 1.00 0.00 H new ATOM 562 N LEU A 37 114.795 13.468 4.568 1.00 0.00 N ATOM 563 CA LEU A 37 113.702 13.063 3.633 1.00 0.00 C ATOM 564 C LEU A 37 113.030 14.302 3.040 1.00 0.00 C ATOM 565 O LEU A 37 112.544 15.157 3.759 1.00 0.00 O ATOM 566 CB LEU A 37 112.706 12.290 4.500 1.00 0.00 C ATOM 567 CG LEU A 37 113.335 10.976 4.963 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.554 10.433 6.163 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.283 9.957 3.822 1.00 0.00 C ATOM 0 H LEU A 37 114.492 14.008 5.379 1.00 0.00 H new ATOM 0 HA LEU A 37 114.074 12.466 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.418 12.890 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.796 12.089 3.934 1.00 0.00 H new ATOM 0 HG LEU A 37 114.372 11.150 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 37 113.001 9.496 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.586 11.158 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.518 10.258 5.874 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.731 9.019 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.246 9.783 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.835 10.342 2.965 1.00 0.00 H new ATOM 581 N ARG A 38 113.001 14.403 1.735 1.00 0.00 N ATOM 582 CA ARG A 38 112.200 15.486 1.080 1.00 0.00 C ATOM 583 C ARG A 38 110.898 14.913 0.513 1.00 0.00 C ATOM 584 O ARG A 38 110.904 14.222 -0.488 1.00 0.00 O ATOM 585 CB ARG A 38 113.076 16.014 -0.060 1.00 0.00 C ATOM 586 CG ARG A 38 114.047 17.068 0.477 1.00 0.00 C ATOM 587 CD ARG A 38 114.672 17.828 -0.697 1.00 0.00 C ATOM 588 NE ARG A 38 115.839 18.560 -0.111 1.00 0.00 N ATOM 589 CZ ARG A 38 115.684 19.687 0.559 1.00 0.00 C ATOM 590 NH1 ARG A 38 114.498 20.215 0.758 1.00 0.00 N ATOM 591 NH2 ARG A 38 116.737 20.289 1.039 1.00 0.00 N ATOM 0 H ARG A 38 113.496 13.784 1.094 1.00 0.00 H new ATOM 0 HA ARG A 38 111.932 16.271 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 38 113.631 15.193 -0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 38 112.451 16.447 -0.841 1.00 0.00 H new ATOM 0 HG2 ARG A 38 113.522 17.761 1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 38 114.826 16.591 1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.990 17.145 -1.484 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.958 18.519 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 38 116.777 18.179 -0.232 1.00 0.00 H new ATOM 0 HH11 ARG A 38 113.666 19.753 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 38 114.409 21.087 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 38 117.664 19.888 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 38 116.634 21.160 1.559 1.00 0.00 H new ATOM 605 N LEU A 39 109.786 15.193 1.145 1.00 0.00 N ATOM 606 CA LEU A 39 108.482 14.633 0.667 1.00 0.00 C ATOM 607 C LEU A 39 107.904 15.503 -0.462 1.00 0.00 C ATOM 608 O LEU A 39 108.147 16.697 -0.529 1.00 0.00 O ATOM 609 CB LEU A 39 107.579 14.641 1.910 1.00 0.00 C ATOM 610 CG LEU A 39 106.174 14.096 1.594 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.245 12.659 1.060 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.357 14.097 2.883 1.00 0.00 C ATOM 0 H LEU A 39 109.723 15.786 1.973 1.00 0.00 H new ATOM 0 HA LEU A 39 108.580 13.631 0.249 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.035 14.039 2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.497 15.658 2.295 1.00 0.00 H new ATOM 0 HG LEU A 39 105.715 14.727 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.238 12.300 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.839 12.639 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.708 12.015 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.357 13.714 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.845 13.463 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.285 15.114 3.267 1.00 0.00 H new ATOM 624 N ALA A 40 107.135 14.904 -1.343 1.00 0.00 N ATOM 625 CA ALA A 40 106.693 15.612 -2.593 1.00 0.00 C ATOM 626 C ALA A 40 105.708 16.756 -2.295 1.00 0.00 C ATOM 627 O ALA A 40 105.297 17.464 -3.197 1.00 0.00 O ATOM 628 CB ALA A 40 106.010 14.538 -3.444 1.00 0.00 C ATOM 0 H ALA A 40 106.791 13.948 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 40 107.543 16.072 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.659 14.981 -4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.721 13.742 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.162 14.125 -2.897 1.00 0.00 H new ATOM 634 N ASN A 41 105.324 16.950 -1.052 1.00 0.00 N ATOM 635 CA ASN A 41 104.460 18.122 -0.701 1.00 0.00 C ATOM 636 C ASN A 41 105.321 19.359 -0.385 1.00 0.00 C ATOM 637 O ASN A 41 104.919 20.207 0.391 1.00 0.00 O ATOM 638 CB ASN A 41 103.679 17.686 0.542 1.00 0.00 C ATOM 639 CG ASN A 41 102.719 16.551 0.174 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.148 16.546 -0.898 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.517 15.583 1.026 1.00 0.00 N ATOM 0 H ASN A 41 105.572 16.347 -0.268 1.00 0.00 H new ATOM 0 HA ASN A 41 103.802 18.400 -1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.368 17.355 1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.122 18.530 0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 41 101.879 14.822 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 41 102.997 15.587 1.926 1.00 0.00 H new ATOM 648 N ASP A 42 106.504 19.472 -0.974 1.00 0.00 N ATOM 649 CA ASP A 42 107.359 20.697 -0.787 1.00 0.00 C ATOM 650 C ASP A 42 107.806 20.819 0.676 1.00 0.00 C ATOM 651 O ASP A 42 108.032 21.909 1.167 1.00 0.00 O ATOM 652 CB ASP A 42 106.483 21.898 -1.181 1.00 0.00 C ATOM 653 CG ASP A 42 107.378 23.089 -1.529 1.00 0.00 C ATOM 654 OD1 ASP A 42 107.842 23.147 -2.656 1.00 0.00 O ATOM 655 OD2 ASP A 42 107.583 23.923 -0.663 1.00 0.00 O ATOM 0 H ASP A 42 106.911 18.759 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 42 108.261 20.647 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 42 105.855 21.640 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 42 105.815 22.159 -0.361 1.00 0.00 H new ATOM 660 N SER A 43 107.936 19.710 1.375 1.00 0.00 N ATOM 661 CA SER A 43 108.414 19.764 2.790 1.00 0.00 C ATOM 662 C SER A 43 109.650 18.878 2.960 1.00 0.00 C ATOM 663 O SER A 43 109.725 17.793 2.413 1.00 0.00 O ATOM 664 CB SER A 43 107.249 19.227 3.622 1.00 0.00 C ATOM 665 OG SER A 43 106.132 20.095 3.478 1.00 0.00 O ATOM 0 H SER A 43 107.731 18.775 1.023 1.00 0.00 H new ATOM 0 HA SER A 43 108.700 20.771 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 43 106.987 18.221 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 43 107.537 19.157 4.671 1.00 0.00 H new ATOM 0 HG SER A 43 105.382 19.754 4.008 1.00 0.00 H new ATOM 671 N THR A 44 110.618 19.338 3.715 1.00 0.00 N ATOM 672 CA THR A 44 111.856 18.529 3.942 1.00 0.00 C ATOM 673 C THR A 44 112.137 18.414 5.444 1.00 0.00 C ATOM 674 O THR A 44 111.850 19.322 6.204 1.00 0.00 O ATOM 675 CB THR A 44 112.984 19.286 3.221 1.00 0.00 C ATOM 676 OG1 THR A 44 114.210 18.590 3.409 1.00 0.00 O ATOM 677 CG2 THR A 44 113.118 20.710 3.776 1.00 0.00 C ATOM 0 H THR A 44 110.603 20.243 4.186 1.00 0.00 H new ATOM 0 HA THR A 44 111.761 17.512 3.560 1.00 0.00 H new ATOM 0 HB THR A 44 112.746 19.345 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 44 114.953 19.144 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 44 113.921 21.230 3.254 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.181 21.248 3.628 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.347 20.665 4.841 1.00 0.00 H new ATOM 685 N LYS A 45 112.693 17.309 5.871 1.00 0.00 N ATOM 686 CA LYS A 45 112.943 17.111 7.333 1.00 0.00 C ATOM 687 C LYS A 45 114.135 16.178 7.556 1.00 0.00 C ATOM 688 O LYS A 45 114.231 15.126 6.951 1.00 0.00 O ATOM 689 CB LYS A 45 111.656 16.484 7.872 1.00 0.00 C ATOM 690 CG LYS A 45 111.699 16.457 9.401 1.00 0.00 C ATOM 691 CD LYS A 45 110.293 16.205 9.951 1.00 0.00 C ATOM 692 CE LYS A 45 109.887 14.754 9.682 1.00 0.00 C ATOM 693 NZ LYS A 45 108.399 14.773 9.632 1.00 0.00 N ATOM 0 H LYS A 45 112.985 16.536 5.273 1.00 0.00 H new ATOM 0 HA LYS A 45 113.185 18.046 7.838 1.00 0.00 H new ATOM 0 HB2 LYS A 45 110.792 17.055 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.542 15.472 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.379 15.676 9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 45 112.085 17.403 9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 45 110.269 16.407 11.022 1.00 0.00 H new ATOM 0 HD3 LYS A 45 109.581 16.885 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 45 110.309 14.394 8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.247 14.091 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.045 13.812 9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.025 15.114 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.085 15.407 8.869 1.00 0.00 H new ATOM 707 N SER A 46 115.042 16.561 8.423 1.00 0.00 N ATOM 708 CA SER A 46 116.209 15.682 8.738 1.00 0.00 C ATOM 709 C SER A 46 115.917 14.847 9.989 1.00 0.00 C ATOM 710 O SER A 46 115.603 15.378 11.038 1.00 0.00 O ATOM 711 CB SER A 46 117.372 16.641 8.993 1.00 0.00 C ATOM 712 OG SER A 46 117.126 17.371 10.188 1.00 0.00 O ATOM 0 H SER A 46 115.023 17.448 8.927 1.00 0.00 H new ATOM 0 HA SER A 46 116.429 14.982 7.932 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.305 16.084 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.485 17.325 8.152 1.00 0.00 H new ATOM 0 HG SER A 46 116.642 16.804 10.824 1.00 0.00 H new ATOM 718 N ILE A 47 116.020 13.544 9.881 1.00 0.00 N ATOM 719 CA ILE A 47 115.757 12.660 11.059 1.00 0.00 C ATOM 720 C ILE A 47 116.926 11.686 11.233 1.00 0.00 C ATOM 721 O ILE A 47 117.396 11.099 10.276 1.00 0.00 O ATOM 722 CB ILE A 47 114.459 11.903 10.729 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.317 12.900 10.487 1.00 0.00 C ATOM 724 CG2 ILE A 47 114.081 10.989 11.901 1.00 0.00 C ATOM 725 CD1 ILE A 47 112.114 12.168 9.883 1.00 0.00 C ATOM 0 H ILE A 47 116.276 13.054 9.024 1.00 0.00 H new ATOM 0 HA ILE A 47 115.657 13.222 11.988 1.00 0.00 H new ATOM 0 HB ILE A 47 114.619 11.306 9.831 1.00 0.00 H new ATOM 0 HG12 ILE A 47 113.032 13.376 11.425 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.648 13.692 9.815 1.00 0.00 H new ATOM 0 HG21 ILE A 47 113.161 10.455 11.664 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.883 10.272 12.076 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.930 11.590 12.797 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.305 12.878 9.712 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.403 11.712 8.936 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.777 11.392 10.571 1.00 0.00 H new ATOM 737 N VAL A 48 117.394 11.511 12.445 1.00 0.00 N ATOM 738 CA VAL A 48 118.501 10.532 12.686 1.00 0.00 C ATOM 739 C VAL A 48 117.908 9.119 12.788 1.00 0.00 C ATOM 740 O VAL A 48 116.996 8.876 13.551 1.00 0.00 O ATOM 741 CB VAL A 48 119.152 10.972 14.012 1.00 0.00 C ATOM 742 CG1 VAL A 48 120.311 10.028 14.366 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.674 12.415 13.888 1.00 0.00 C ATOM 0 H VAL A 48 117.059 12.001 13.275 1.00 0.00 H new ATOM 0 HA VAL A 48 119.238 10.512 11.883 1.00 0.00 H new ATOM 0 HB VAL A 48 118.404 10.930 14.804 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.766 10.346 15.304 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.933 9.011 14.472 1.00 0.00 H new ATOM 0 HG13 VAL A 48 121.058 10.056 13.573 1.00 0.00 H new ATOM 0 HG21 VAL A 48 120.132 12.718 14.829 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.415 12.467 13.090 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.845 13.083 13.657 1.00 0.00 H new ATOM 753 N THR A 49 118.428 8.189 12.024 1.00 0.00 N ATOM 754 CA THR A 49 117.746 6.857 11.852 1.00 0.00 C ATOM 755 C THR A 49 117.546 6.142 13.190 1.00 0.00 C ATOM 756 O THR A 49 116.662 5.317 13.332 1.00 0.00 O ATOM 757 CB THR A 49 118.684 6.039 10.955 1.00 0.00 C ATOM 758 OG1 THR A 49 119.968 5.969 11.557 1.00 0.00 O ATOM 759 CG2 THR A 49 118.797 6.698 9.577 1.00 0.00 C ATOM 0 H THR A 49 119.301 8.292 11.507 1.00 0.00 H new ATOM 0 HA THR A 49 116.752 6.981 11.422 1.00 0.00 H new ATOM 0 HB THR A 49 118.281 5.033 10.835 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.469 6.787 11.356 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.465 6.111 8.947 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.811 6.746 9.115 1.00 0.00 H new ATOM 0 HG23 THR A 49 119.196 7.706 9.688 1.00 0.00 H new ATOM 767 N LYS A 50 118.360 6.446 14.169 1.00 0.00 N ATOM 768 CA LYS A 50 118.261 5.738 15.491 1.00 0.00 C ATOM 769 C LYS A 50 116.853 5.876 16.085 1.00 0.00 C ATOM 770 O LYS A 50 116.428 5.052 16.874 1.00 0.00 O ATOM 771 CB LYS A 50 119.299 6.416 16.396 1.00 0.00 C ATOM 772 CG LYS A 50 119.417 5.656 17.722 1.00 0.00 C ATOM 773 CD LYS A 50 120.164 6.521 18.740 1.00 0.00 C ATOM 774 CE LYS A 50 120.415 5.711 20.014 1.00 0.00 C ATOM 775 NZ LYS A 50 121.644 4.918 19.729 1.00 0.00 N ATOM 0 H LYS A 50 119.092 7.155 14.114 1.00 0.00 H new ATOM 0 HA LYS A 50 118.448 4.669 15.388 1.00 0.00 H new ATOM 0 HB2 LYS A 50 120.267 6.443 15.896 1.00 0.00 H new ATOM 0 HB3 LYS A 50 119.009 7.450 16.585 1.00 0.00 H new ATOM 0 HG2 LYS A 50 118.426 5.405 18.099 1.00 0.00 H new ATOM 0 HG3 LYS A 50 119.947 4.716 17.569 1.00 0.00 H new ATOM 0 HD2 LYS A 50 121.111 6.860 18.320 1.00 0.00 H new ATOM 0 HD3 LYS A 50 119.581 7.412 18.972 1.00 0.00 H new ATOM 0 HE2 LYS A 50 120.557 6.364 20.875 1.00 0.00 H new ATOM 0 HE3 LYS A 50 119.570 5.061 20.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 121.531 3.955 20.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 121.797 4.872 18.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 122.463 5.372 20.181 1.00 0.00 H new ATOM 789 N ASP A 51 116.131 6.907 15.714 1.00 0.00 N ATOM 790 CA ASP A 51 114.723 7.045 16.209 1.00 0.00 C ATOM 791 C ASP A 51 113.741 6.235 15.341 1.00 0.00 C ATOM 792 O ASP A 51 112.544 6.279 15.561 1.00 0.00 O ATOM 793 CB ASP A 51 114.402 8.551 16.157 1.00 0.00 C ATOM 794 CG ASP A 51 114.506 9.105 14.724 1.00 0.00 C ATOM 795 OD1 ASP A 51 114.530 8.321 13.787 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.559 10.317 14.590 1.00 0.00 O ATOM 0 H ASP A 51 116.451 7.652 15.096 1.00 0.00 H new ATOM 0 HA ASP A 51 114.621 6.653 17.221 1.00 0.00 H new ATOM 0 HB2 ASP A 51 113.397 8.723 16.542 1.00 0.00 H new ATOM 0 HB3 ASP A 51 115.089 9.092 16.808 1.00 0.00 H new ATOM 801 N ILE A 52 114.229 5.499 14.360 1.00 0.00 N ATOM 802 CA ILE A 52 113.305 4.662 13.524 1.00 0.00 C ATOM 803 C ILE A 52 112.863 3.423 14.314 1.00 0.00 C ATOM 804 O ILE A 52 113.679 2.654 14.787 1.00 0.00 O ATOM 805 CB ILE A 52 114.114 4.259 12.278 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.483 5.514 11.478 1.00 0.00 C ATOM 807 CG2 ILE A 52 113.278 3.326 11.389 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.442 5.141 10.343 1.00 0.00 C ATOM 0 H ILE A 52 115.216 5.444 14.107 1.00 0.00 H new ATOM 0 HA ILE A 52 112.401 5.204 13.246 1.00 0.00 H new ATOM 0 HB ILE A 52 115.020 3.742 12.596 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.583 5.974 11.070 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.949 6.250 12.133 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.858 3.046 10.510 1.00 0.00 H new ATOM 0 HG22 ILE A 52 113.013 2.430 11.950 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.369 3.840 11.076 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.702 6.036 9.777 1.00 0.00 H new ATOM 0 HD12 ILE A 52 116.347 4.701 10.761 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.960 4.421 9.682 1.00 0.00 H new ATOM 820 N LYS A 53 111.574 3.233 14.452 1.00 0.00 N ATOM 821 CA LYS A 53 111.051 1.959 15.033 1.00 0.00 C ATOM 822 C LYS A 53 110.735 0.962 13.910 1.00 0.00 C ATOM 823 O LYS A 53 110.803 -0.237 14.104 1.00 0.00 O ATOM 824 CB LYS A 53 109.775 2.350 15.781 1.00 0.00 C ATOM 825 CG LYS A 53 109.262 1.151 16.583 1.00 0.00 C ATOM 826 CD LYS A 53 107.954 1.526 17.283 1.00 0.00 C ATOM 827 CE LYS A 53 107.523 0.386 18.207 1.00 0.00 C ATOM 828 NZ LYS A 53 106.545 1.002 19.147 1.00 0.00 N ATOM 0 H LYS A 53 110.859 3.909 14.186 1.00 0.00 H new ATOM 0 HA LYS A 53 111.773 1.480 15.694 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.975 3.188 16.449 1.00 0.00 H new ATOM 0 HB3 LYS A 53 109.014 2.680 15.074 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.102 0.300 15.922 1.00 0.00 H new ATOM 0 HG3 LYS A 53 110.006 0.847 17.319 1.00 0.00 H new ATOM 0 HD2 LYS A 53 108.087 2.443 17.857 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.177 1.722 16.544 1.00 0.00 H new ATOM 0 HE2 LYS A 53 107.069 -0.429 17.643 1.00 0.00 H new ATOM 0 HE3 LYS A 53 108.375 -0.032 18.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 106.203 0.281 19.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.007 1.770 19.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 105.741 1.386 18.610 1.00 0.00 H new ATOM 842 N ASP A 54 110.394 1.455 12.738 1.00 0.00 N ATOM 843 CA ASP A 54 110.029 0.547 11.602 1.00 0.00 C ATOM 844 C ASP A 54 110.081 1.316 10.276 1.00 0.00 C ATOM 845 O ASP A 54 109.909 2.521 10.243 1.00 0.00 O ATOM 846 CB ASP A 54 108.598 0.079 11.892 1.00 0.00 C ATOM 847 CG ASP A 54 108.624 -1.208 12.721 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.428 -2.073 12.414 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.838 -1.307 13.649 1.00 0.00 O ATOM 0 H ASP A 54 110.353 2.451 12.521 1.00 0.00 H new ATOM 0 HA ASP A 54 110.717 -0.294 11.516 1.00 0.00 H new ATOM 0 HB2 ASP A 54 108.055 0.856 12.429 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.066 -0.093 10.956 1.00 0.00 H new ATOM 854 N LEU A 55 110.317 0.623 9.186 1.00 0.00 N ATOM 855 CA LEU A 55 110.416 1.303 7.856 1.00 0.00 C ATOM 856 C LEU A 55 109.585 0.556 6.808 1.00 0.00 C ATOM 857 O LEU A 55 109.428 -0.649 6.874 1.00 0.00 O ATOM 858 CB LEU A 55 111.900 1.247 7.486 1.00 0.00 C ATOM 859 CG LEU A 55 112.713 2.102 8.459 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.203 1.814 8.267 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.444 3.583 8.185 1.00 0.00 C ATOM 0 H LEU A 55 110.446 -0.389 9.162 1.00 0.00 H new ATOM 0 HA LEU A 55 110.039 2.325 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.252 0.216 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 55 112.043 1.605 6.467 1.00 0.00 H new ATOM 0 HG LEU A 55 112.423 1.862 9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.784 2.423 8.960 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.398 0.759 8.460 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.491 2.055 7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 55 113.023 4.192 8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.734 3.822 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.382 3.791 8.319 1.00 0.00 H new ATOM 873 N ARG A 56 109.052 1.269 5.844 1.00 0.00 N ATOM 874 CA ARG A 56 108.318 0.606 4.723 1.00 0.00 C ATOM 875 C ARG A 56 108.405 1.464 3.455 1.00 0.00 C ATOM 876 O ARG A 56 108.411 2.676 3.524 1.00 0.00 O ATOM 877 CB ARG A 56 106.863 0.488 5.205 1.00 0.00 C ATOM 878 CG ARG A 56 106.252 1.884 5.398 1.00 0.00 C ATOM 879 CD ARG A 56 104.816 1.755 5.914 1.00 0.00 C ATOM 880 NE ARG A 56 104.930 1.125 7.270 1.00 0.00 N ATOM 881 CZ ARG A 56 103.887 0.573 7.861 1.00 0.00 C ATOM 882 NH1 ARG A 56 102.702 0.554 7.294 1.00 0.00 N ATOM 883 NH2 ARG A 56 104.037 0.034 9.040 1.00 0.00 N ATOM 0 H ARG A 56 109.095 2.286 5.787 1.00 0.00 H new ATOM 0 HA ARG A 56 108.738 -0.369 4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.277 -0.076 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.827 -0.065 6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.851 2.459 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.261 2.429 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.332 2.730 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.213 1.140 5.246 1.00 0.00 H new ATOM 0 HE ARG A 56 105.832 1.123 7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.570 0.973 6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.914 0.120 7.774 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.951 0.043 9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.240 -0.396 9.509 1.00 0.00 H new ATOM 897 N ILE A 57 108.476 0.844 2.306 1.00 0.00 N ATOM 898 CA ILE A 57 108.392 1.616 1.028 1.00 0.00 C ATOM 899 C ILE A 57 106.923 1.813 0.637 1.00 0.00 C ATOM 900 O ILE A 57 106.138 0.882 0.672 1.00 0.00 O ATOM 901 CB ILE A 57 109.122 0.774 -0.031 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.559 0.475 0.425 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.170 1.564 -1.344 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.183 -0.572 -0.500 1.00 0.00 C ATOM 0 H ILE A 57 108.589 -0.164 2.196 1.00 0.00 H new ATOM 0 HA ILE A 57 108.843 2.604 1.122 1.00 0.00 H new ATOM 0 HB ILE A 57 108.590 -0.167 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.154 1.388 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.557 0.112 1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.686 0.976 -2.103 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.154 1.777 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.704 2.501 -1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.202 -0.783 -0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.593 -1.488 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.199 -0.192 -1.521 1.00 0.00 H new ATOM 916 N LEU A 58 106.545 3.014 0.265 1.00 0.00 N ATOM 917 CA LEU A 58 105.110 3.280 -0.068 1.00 0.00 C ATOM 918 C LEU A 58 104.802 2.775 -1.491 1.00 0.00 C ATOM 919 O LEU A 58 105.460 3.179 -2.431 1.00 0.00 O ATOM 920 CB LEU A 58 104.944 4.799 0.011 1.00 0.00 C ATOM 921 CG LEU A 58 104.856 5.228 1.476 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.130 6.729 1.585 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.454 4.927 2.012 1.00 0.00 C ATOM 0 H LEU A 58 107.166 3.818 0.178 1.00 0.00 H new ATOM 0 HA LEU A 58 104.429 2.769 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.786 5.293 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 58 104.045 5.105 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 58 105.595 4.680 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.067 7.035 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.127 6.945 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.391 7.277 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.390 5.233 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.715 5.476 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.256 3.858 1.934 1.00 0.00 H new ATOM 1736 N SER B 257 112.251 -4.203 2.488 1.00 0.00 N ATOM 1737 CA SER B 257 112.000 -3.117 3.497 1.00 0.00 C ATOM 1738 C SER B 257 112.443 -3.568 4.893 1.00 0.00 C ATOM 1739 O SER B 257 112.928 -2.782 5.687 1.00 0.00 O ATOM 1740 CB SER B 257 110.487 -2.895 3.477 1.00 0.00 C ATOM 1741 OG SER B 257 110.082 -2.524 2.166 1.00 0.00 O ATOM 0 HA SER B 257 112.555 -2.209 3.261 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.971 -3.804 3.785 1.00 0.00 H new ATOM 0 HB3 SER B 257 110.213 -2.116 4.188 1.00 0.00 H new ATOM 0 HG SER B 257 110.612 -3.020 1.507 1.00 0.00 H new ATOM 1747 N SER B 258 112.277 -4.835 5.185 1.00 0.00 N ATOM 1748 CA SER B 258 112.678 -5.364 6.529 1.00 0.00 C ATOM 1749 C SER B 258 114.203 -5.332 6.678 1.00 0.00 C ATOM 1750 O SER B 258 114.722 -5.129 7.760 1.00 0.00 O ATOM 1751 CB SER B 258 112.166 -6.805 6.571 1.00 0.00 C ATOM 1752 OG SER B 258 112.375 -7.340 7.871 1.00 0.00 O ATOM 0 H SER B 258 111.880 -5.528 4.550 1.00 0.00 H new ATOM 0 HA SER B 258 112.265 -4.766 7.341 1.00 0.00 H new ATOM 0 HB2 SER B 258 111.106 -6.834 6.319 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.686 -7.410 5.828 1.00 0.00 H new ATOM 0 HG SER B 258 112.047 -8.263 7.902 1.00 0.00 H new ATOM 1758 N GLN B 259 114.920 -5.531 5.596 1.00 0.00 N ATOM 1759 CA GLN B 259 116.418 -5.508 5.662 1.00 0.00 C ATOM 1760 C GLN B 259 116.914 -4.109 6.049 1.00 0.00 C ATOM 1761 O GLN B 259 117.902 -3.966 6.746 1.00 0.00 O ATOM 1762 CB GLN B 259 116.898 -5.873 4.254 1.00 0.00 C ATOM 1763 CG GLN B 259 116.506 -7.319 3.939 1.00 0.00 C ATOM 1764 CD GLN B 259 117.038 -7.706 2.557 1.00 0.00 C ATOM 1765 OE1 GLN B 259 118.116 -7.297 2.171 1.00 0.00 O ATOM 1766 NE2 GLN B 259 116.325 -8.484 1.791 1.00 0.00 N ATOM 0 H GLN B 259 114.532 -5.708 4.669 1.00 0.00 H new ATOM 0 HA GLN B 259 116.800 -6.202 6.411 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.456 -5.198 3.521 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.979 -5.755 4.185 1.00 0.00 H new ATOM 0 HG2 GLN B 259 116.911 -7.990 4.697 1.00 0.00 H new ATOM 0 HG3 GLN B 259 115.422 -7.426 3.966 1.00 0.00 H new ATOM 0 HE21 GLN B 259 115.421 -8.828 2.114 1.00 0.00 H new ATOM 0 HE22 GLN B 259 116.672 -8.749 0.869 1.00 0.00 H new ATOM 1775 N LEU B 260 116.231 -3.082 5.601 1.00 0.00 N ATOM 1776 CA LEU B 260 116.646 -1.683 5.951 1.00 0.00 C ATOM 1777 C LEU B 260 116.486 -1.443 7.455 1.00 0.00 C ATOM 1778 O LEU B 260 117.340 -0.849 8.088 1.00 0.00 O ATOM 1779 CB LEU B 260 115.708 -0.766 5.161 1.00 0.00 C ATOM 1780 CG LEU B 260 115.984 -0.915 3.664 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.872 -0.227 2.869 1.00 0.00 C ATOM 1782 CD2 LEU B 260 117.328 -0.264 3.327 1.00 0.00 C ATOM 0 H LEU B 260 115.404 -3.151 5.008 1.00 0.00 H new ATOM 0 HA LEU B 260 117.692 -1.497 5.706 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.670 -1.019 5.376 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.854 0.270 5.466 1.00 0.00 H new ATOM 0 HG LEU B 260 116.016 -1.973 3.404 1.00 0.00 H new ATOM 0 HD11 LEU B 260 115.068 -0.333 1.802 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.914 -0.688 3.109 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.840 0.831 3.129 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.526 -0.369 2.260 1.00 0.00 H new ATOM 0 HD22 LEU B 260 117.295 0.794 3.587 1.00 0.00 H new ATOM 0 HD23 LEU B 260 118.121 -0.752 3.893 1.00 0.00 H new ATOM 1794 N LEU B 261 115.399 -1.902 8.026 1.00 0.00 N ATOM 1795 CA LEU B 261 115.215 -1.774 9.507 1.00 0.00 C ATOM 1796 C LEU B 261 116.194 -2.703 10.232 1.00 0.00 C ATOM 1797 O LEU B 261 116.722 -2.368 11.276 1.00 0.00 O ATOM 1798 CB LEU B 261 113.767 -2.196 9.779 1.00 0.00 C ATOM 1799 CG LEU B 261 113.403 -1.872 11.230 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.275 -0.357 11.402 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.068 -2.534 11.578 1.00 0.00 C ATOM 0 H LEU B 261 114.632 -2.359 7.532 1.00 0.00 H new ATOM 0 HA LEU B 261 115.407 -0.761 9.861 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.092 -1.676 9.099 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.647 -3.263 9.593 1.00 0.00 H new ATOM 0 HG LEU B 261 114.184 -2.248 11.891 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.016 -0.129 12.436 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.223 0.119 11.152 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.495 0.020 10.741 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.807 -2.305 12.611 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.290 -2.156 10.914 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.155 -3.614 11.457 1.00 0.00 H new ATOM 1813 N SER B 262 116.436 -3.869 9.678 1.00 0.00 N ATOM 1814 CA SER B 262 117.429 -4.814 10.288 1.00 0.00 C ATOM 1815 C SER B 262 118.829 -4.190 10.297 1.00 0.00 C ATOM 1816 O SER B 262 119.597 -4.384 11.223 1.00 0.00 O ATOM 1817 CB SER B 262 117.409 -6.056 9.394 1.00 0.00 C ATOM 1818 OG SER B 262 118.207 -7.073 9.987 1.00 0.00 O ATOM 0 H SER B 262 115.987 -4.208 8.827 1.00 0.00 H new ATOM 0 HA SER B 262 117.179 -5.051 11.322 1.00 0.00 H new ATOM 0 HB2 SER B 262 116.386 -6.409 9.265 1.00 0.00 H new ATOM 0 HB3 SER B 262 117.789 -5.811 8.402 1.00 0.00 H new ATOM 0 HG SER B 262 118.196 -7.871 9.418 1.00 0.00 H new ATOM 1824 N LEU B 263 119.162 -3.442 9.271 1.00 0.00 N ATOM 1825 CA LEU B 263 120.513 -2.792 9.209 1.00 0.00 C ATOM 1826 C LEU B 263 120.657 -1.765 10.337 1.00 0.00 C ATOM 1827 O LEU B 263 121.675 -1.700 11.003 1.00 0.00 O ATOM 1828 CB LEU B 263 120.570 -2.095 7.845 1.00 0.00 C ATOM 1829 CG LEU B 263 120.813 -3.132 6.746 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.307 -2.589 5.408 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.313 -3.422 6.640 1.00 0.00 C ATOM 0 H LEU B 263 118.556 -3.253 8.472 1.00 0.00 H new ATOM 0 HA LEU B 263 121.319 -3.517 9.327 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.637 -1.564 7.658 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.367 -1.351 7.839 1.00 0.00 H new ATOM 0 HG LEU B 263 120.279 -4.050 6.992 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.481 -3.328 4.626 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.239 -2.381 5.480 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.840 -1.670 5.163 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.486 -4.161 5.857 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.845 -2.503 6.396 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.677 -3.810 7.592 1.00 0.00 H new