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= -0.795 K(o=-0.8,f=-10!) USER MOD Set 1.2: A 19 SER OG : rot -179:sc= 0 USER MOD Set 2.1: A 7 TYR OH : rot 10:sc= 0.74 USER MOD Set 2.2: A 27 ASN : amide:sc= 0 K(o=0.74,f=2.3) USER MOD Single : A 2 SER OG : rot 32:sc= 0.144 USER MOD Single : A 9 SER OG : rot -116:sc= -0.205 USER MOD Single : A 10 ASN : amide:sc= -7.91! C(o=-7.9!,f=-4.2!) USER MOD Single : A 16 ASN : amide:sc= -1.39 K(o=-1.4,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -1.61 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 43 SER OG : rot 72:sc= 0.303 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 13:sc= 1.04 USER MOD Single : A 49 THR OG1 : rot -84:sc= 0.393 USER MOD Single : A 50 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.0708) USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0781) USER MOD Single : B 257 SER OG : rot -84:sc= -0.681 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : B 262 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 122.801 -1.540 0.772 1.00 0.00 N ATOM 45 CA SER A 2 123.142 -0.263 1.472 1.00 0.00 C ATOM 46 C SER A 2 122.055 0.787 1.219 1.00 0.00 C ATOM 47 O SER A 2 121.200 0.613 0.371 1.00 0.00 O ATOM 48 CB SER A 2 124.469 0.180 0.859 1.00 0.00 C ATOM 49 OG SER A 2 125.463 -0.800 1.132 1.00 0.00 O ATOM 0 HA SER A 2 123.214 -0.390 2.552 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.359 0.313 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 2 124.769 1.144 1.271 1.00 0.00 H new ATOM 0 HG SER A 2 125.048 -1.687 1.163 1.00 0.00 H new ATOM 55 N VAL A 3 122.087 1.876 1.952 1.00 0.00 N ATOM 56 CA VAL A 3 121.061 2.957 1.758 1.00 0.00 C ATOM 57 C VAL A 3 121.221 3.595 0.370 1.00 0.00 C ATOM 58 O VAL A 3 120.267 4.092 -0.201 1.00 0.00 O ATOM 59 CB VAL A 3 121.325 3.994 2.865 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.282 5.114 2.786 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.230 3.320 4.239 1.00 0.00 C ATOM 0 H VAL A 3 122.779 2.065 2.677 1.00 0.00 H new ATOM 0 HA VAL A 3 120.046 2.565 1.817 1.00 0.00 H new ATOM 0 HB VAL A 3 122.323 4.411 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.473 5.845 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.345 5.602 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.285 4.693 2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.417 4.057 5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.233 2.899 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.972 2.524 4.306 1.00 0.00 H new ATOM 71 N ALA A 4 122.419 3.585 -0.177 1.00 0.00 N ATOM 72 CA ALA A 4 122.649 4.194 -1.530 1.00 0.00 C ATOM 73 C ALA A 4 121.703 3.570 -2.563 1.00 0.00 C ATOM 74 O ALA A 4 121.285 4.216 -3.507 1.00 0.00 O ATOM 75 CB ALA A 4 124.104 3.868 -1.881 1.00 0.00 C ATOM 0 H ALA A 4 123.248 3.180 0.258 1.00 0.00 H new ATOM 0 HA ALA A 4 122.461 5.268 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.344 4.283 -2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.765 4.302 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.240 2.787 -1.902 1.00 0.00 H new ATOM 81 N ASP A 5 121.370 2.315 -2.383 1.00 0.00 N ATOM 82 CA ASP A 5 120.371 1.658 -3.285 1.00 0.00 C ATOM 83 C ASP A 5 118.981 2.256 -3.049 1.00 0.00 C ATOM 84 O ASP A 5 118.195 2.402 -3.967 1.00 0.00 O ATOM 85 CB ASP A 5 120.386 0.173 -2.907 1.00 0.00 C ATOM 86 CG ASP A 5 121.749 -0.434 -3.252 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.261 -0.128 -4.317 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.258 -1.195 -2.445 1.00 0.00 O ATOM 0 H ASP A 5 121.747 1.716 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 5 120.613 1.805 -4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.185 0.057 -1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 5 119.596 -0.356 -3.440 1.00 0.00 H new ATOM 93 N PHE A 6 118.679 2.602 -1.820 1.00 0.00 N ATOM 94 CA PHE A 6 117.350 3.219 -1.507 1.00 0.00 C ATOM 95 C PHE A 6 117.452 4.753 -1.430 1.00 0.00 C ATOM 96 O PHE A 6 116.521 5.413 -1.009 1.00 0.00 O ATOM 97 CB PHE A 6 116.962 2.640 -0.146 1.00 0.00 C ATOM 98 CG PHE A 6 116.768 1.143 -0.161 1.00 0.00 C ATOM 99 CD1 PHE A 6 117.863 0.285 0.104 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.492 0.597 -0.443 1.00 0.00 C ATOM 101 CE1 PHE A 6 117.682 -1.119 0.090 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.310 -0.807 -0.457 1.00 0.00 C ATOM 103 CZ PHE A 6 116.405 -1.665 -0.191 1.00 0.00 C ATOM 0 H PHE A 6 119.298 2.483 -1.018 1.00 0.00 H new ATOM 0 HA PHE A 6 116.612 3.001 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 6 117.735 2.891 0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.041 3.114 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 6 118.836 0.702 0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.658 1.252 -0.647 1.00 0.00 H new ATOM 0 HE1 PHE A 6 118.517 -1.773 0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.337 -1.224 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.267 -2.736 -0.202 1.00 0.00 H new ATOM 113 N TYR A 7 118.567 5.324 -1.830 1.00 0.00 N ATOM 114 CA TYR A 7 118.708 6.818 -1.802 1.00 0.00 C ATOM 115 C TYR A 7 117.765 7.455 -2.832 1.00 0.00 C ATOM 116 O TYR A 7 117.777 7.098 -3.996 1.00 0.00 O ATOM 117 CB TYR A 7 120.170 7.075 -2.189 1.00 0.00 C ATOM 118 CG TYR A 7 120.737 8.379 -1.670 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.005 9.586 -1.809 1.00 0.00 C ATOM 120 CD2 TYR A 7 122.018 8.398 -1.065 1.00 0.00 C ATOM 121 CE1 TYR A 7 120.557 10.805 -1.345 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.564 9.617 -0.596 1.00 0.00 C ATOM 123 CZ TYR A 7 121.836 10.819 -0.738 1.00 0.00 C ATOM 124 OH TYR A 7 122.381 12.008 -0.297 1.00 0.00 O ATOM 0 H TYR A 7 119.384 4.820 -2.174 1.00 0.00 H new ATOM 0 HA TYR A 7 118.456 7.244 -0.831 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.781 6.253 -1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 7 120.252 7.065 -3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.028 9.575 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.579 7.481 -0.961 1.00 0.00 H new ATOM 0 HE1 TYR A 7 120.002 11.725 -1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.538 9.628 -0.129 1.00 0.00 H new ATOM 0 HH TYR A 7 121.701 12.713 -0.333 1.00 0.00 H new ATOM 134 N GLY A 8 116.952 8.392 -2.407 1.00 0.00 N ATOM 135 CA GLY A 8 115.955 9.014 -3.334 1.00 0.00 C ATOM 136 C GLY A 8 114.703 8.129 -3.459 1.00 0.00 C ATOM 137 O GLY A 8 113.794 8.450 -4.204 1.00 0.00 O ATOM 0 H GLY A 8 116.936 8.754 -1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.674 10.000 -2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.405 9.157 -4.317 1.00 0.00 H new ATOM 141 N SER A 9 114.640 7.023 -2.748 1.00 0.00 N ATOM 142 CA SER A 9 113.395 6.191 -2.763 1.00 0.00 C ATOM 143 C SER A 9 112.328 6.826 -1.867 1.00 0.00 C ATOM 144 O SER A 9 112.631 7.369 -0.821 1.00 0.00 O ATOM 145 CB SER A 9 113.813 4.824 -2.212 1.00 0.00 C ATOM 146 OG SER A 9 114.040 4.922 -0.812 1.00 0.00 O ATOM 0 H SER A 9 115.394 6.665 -2.162 1.00 0.00 H new ATOM 0 HA SER A 9 112.968 6.109 -3.763 1.00 0.00 H new ATOM 0 HB2 SER A 9 113.036 4.087 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.717 4.480 -2.714 1.00 0.00 H new ATOM 0 HG SER A 9 114.982 4.734 -0.619 1.00 0.00 H new ATOM 152 N ASN A 10 111.083 6.760 -2.271 1.00 0.00 N ATOM 153 CA ASN A 10 109.978 7.287 -1.405 1.00 0.00 C ATOM 154 C ASN A 10 109.558 6.201 -0.416 1.00 0.00 C ATOM 155 O ASN A 10 109.090 5.147 -0.807 1.00 0.00 O ATOM 156 CB ASN A 10 108.801 7.617 -2.348 1.00 0.00 C ATOM 157 CG ASN A 10 109.281 8.283 -3.652 1.00 0.00 C ATOM 158 OD1 ASN A 10 108.668 8.112 -4.688 1.00 0.00 O ATOM 159 ND2 ASN A 10 110.350 9.034 -3.650 1.00 0.00 N ATOM 0 H ASN A 10 110.783 6.365 -3.162 1.00 0.00 H new ATOM 0 HA ASN A 10 110.290 8.168 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.258 6.702 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 10 108.101 8.279 -1.838 1.00 0.00 H new ATOM 0 HD21 ASN A 10 110.666 9.473 -4.515 1.00 0.00 H new ATOM 0 HD22 ASN A 10 110.868 9.181 -2.784 1.00 0.00 H new ATOM 166 N VAL A 11 109.720 6.451 0.856 1.00 0.00 N ATOM 167 CA VAL A 11 109.347 5.423 1.878 1.00 0.00 C ATOM 168 C VAL A 11 108.730 6.102 3.101 1.00 0.00 C ATOM 169 O VAL A 11 108.934 7.281 3.331 1.00 0.00 O ATOM 170 CB VAL A 11 110.653 4.699 2.249 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.208 3.978 1.018 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.696 5.706 2.756 1.00 0.00 C ATOM 0 H VAL A 11 110.094 7.321 1.234 1.00 0.00 H new ATOM 0 HA VAL A 11 108.607 4.719 1.496 1.00 0.00 H new ATOM 0 HB VAL A 11 110.440 3.977 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.133 3.466 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.479 3.250 0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.408 4.704 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.615 5.179 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.905 6.438 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 11 111.310 6.217 3.638 1.00 0.00 H new ATOM 182 N GLU A 12 107.977 5.369 3.885 1.00 0.00 N ATOM 183 CA GLU A 12 107.368 5.966 5.110 1.00 0.00 C ATOM 184 C GLU A 12 108.043 5.401 6.362 1.00 0.00 C ATOM 185 O GLU A 12 108.180 4.203 6.518 1.00 0.00 O ATOM 186 CB GLU A 12 105.897 5.549 5.059 1.00 0.00 C ATOM 187 CG GLU A 12 105.119 6.251 6.175 1.00 0.00 C ATOM 188 CD GLU A 12 103.681 5.727 6.208 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.099 5.578 5.146 1.00 0.00 O ATOM 190 OE2 GLU A 12 103.185 5.484 7.296 1.00 0.00 O ATOM 0 H GLU A 12 107.759 4.385 3.728 1.00 0.00 H new ATOM 0 HA GLU A 12 107.485 7.049 5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.470 5.805 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.812 4.468 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.603 6.075 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.120 7.329 6.010 1.00 0.00 H new ATOM 197 N VAL A 13 108.468 6.262 7.253 1.00 0.00 N ATOM 198 CA VAL A 13 109.159 5.792 8.491 1.00 0.00 C ATOM 199 C VAL A 13 108.229 5.946 9.700 1.00 0.00 C ATOM 200 O VAL A 13 107.686 7.008 9.942 1.00 0.00 O ATOM 201 CB VAL A 13 110.387 6.709 8.630 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.194 6.318 9.874 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.281 6.571 7.391 1.00 0.00 C ATOM 0 H VAL A 13 108.365 7.274 7.175 1.00 0.00 H new ATOM 0 HA VAL A 13 109.441 4.740 8.439 1.00 0.00 H new ATOM 0 HB VAL A 13 110.046 7.740 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 13 112.061 6.972 9.965 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.568 6.420 10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.527 5.284 9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 13 112.149 7.222 7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.612 5.537 7.295 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.718 6.856 6.502 1.00 0.00 H new ATOM 213 N LEU A 14 108.047 4.890 10.453 1.00 0.00 N ATOM 214 CA LEU A 14 107.266 4.993 11.721 1.00 0.00 C ATOM 215 C LEU A 14 108.234 5.189 12.891 1.00 0.00 C ATOM 216 O LEU A 14 109.172 4.431 13.062 1.00 0.00 O ATOM 217 CB LEU A 14 106.525 3.652 11.839 1.00 0.00 C ATOM 218 CG LEU A 14 105.683 3.619 13.122 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.461 4.523 12.964 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.221 2.184 13.386 1.00 0.00 C ATOM 0 H LEU A 14 108.407 3.959 10.242 1.00 0.00 H new ATOM 0 HA LEU A 14 106.571 5.833 11.730 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.883 3.506 10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.243 2.832 11.846 1.00 0.00 H new ATOM 0 HG LEU A 14 106.286 3.973 13.958 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.867 4.495 13.878 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.787 5.546 12.774 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.856 4.174 12.127 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.623 2.156 14.297 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.620 1.835 12.546 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.091 1.538 13.504 1.00 0.00 H new ATOM 232 N LEU A 15 108.013 6.198 13.695 1.00 0.00 N ATOM 233 CA LEU A 15 109.005 6.544 14.759 1.00 0.00 C ATOM 234 C LEU A 15 108.610 5.926 16.107 1.00 0.00 C ATOM 235 O LEU A 15 107.518 5.417 16.273 1.00 0.00 O ATOM 236 CB LEU A 15 108.984 8.072 14.840 1.00 0.00 C ATOM 237 CG LEU A 15 109.551 8.665 13.548 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.275 10.169 13.514 1.00 0.00 C ATOM 239 CD2 LEU A 15 111.063 8.426 13.496 1.00 0.00 C ATOM 0 H LEU A 15 107.188 6.798 13.661 1.00 0.00 H new ATOM 0 HA LEU A 15 109.997 6.157 14.526 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.964 8.424 14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.571 8.409 15.694 1.00 0.00 H new ATOM 0 HG LEU A 15 109.077 8.187 12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.679 10.592 12.594 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.200 10.343 13.552 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.750 10.646 14.372 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.467 8.848 12.576 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.537 8.904 14.353 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.263 7.355 13.522 1.00 0.00 H new ATOM 251 N ASN A 16 109.508 5.974 17.066 1.00 0.00 N ATOM 252 CA ASN A 16 109.250 5.341 18.409 1.00 0.00 C ATOM 253 C ASN A 16 107.984 5.910 19.070 1.00 0.00 C ATOM 254 O ASN A 16 107.391 5.281 19.927 1.00 0.00 O ATOM 255 CB ASN A 16 110.491 5.666 19.260 1.00 0.00 C ATOM 256 CG ASN A 16 110.692 7.184 19.361 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.825 7.894 19.834 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.806 7.713 18.935 1.00 0.00 N ATOM 0 H ASN A 16 110.417 6.428 16.978 1.00 0.00 H new ATOM 0 HA ASN A 16 109.085 4.268 18.311 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.376 5.241 20.257 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.374 5.205 18.817 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.949 8.721 18.999 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.534 7.119 18.538 1.00 0.00 H new ATOM 265 N ASN A 17 107.570 7.091 18.676 1.00 0.00 N ATOM 266 CA ASN A 17 106.383 7.735 19.324 1.00 0.00 C ATOM 267 C ASN A 17 105.089 7.397 18.560 1.00 0.00 C ATOM 268 O ASN A 17 104.112 8.117 18.646 1.00 0.00 O ATOM 269 CB ASN A 17 106.670 9.247 19.286 1.00 0.00 C ATOM 270 CG ASN A 17 106.766 9.751 17.837 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.922 8.974 16.915 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.681 11.032 17.601 1.00 0.00 N ATOM 0 H ASN A 17 108.004 7.638 17.932 1.00 0.00 H new ATOM 0 HA ASN A 17 106.235 7.379 20.344 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.880 9.784 19.811 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.602 9.458 19.811 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.745 11.380 16.644 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.550 11.685 18.373 1.00 0.00 H new ATOM 279 N ASP A 18 105.080 6.308 17.810 1.00 0.00 N ATOM 280 CA ASP A 18 103.833 5.855 17.099 1.00 0.00 C ATOM 281 C ASP A 18 103.325 6.948 16.148 1.00 0.00 C ATOM 282 O ASP A 18 102.144 7.030 15.866 1.00 0.00 O ATOM 283 CB ASP A 18 102.793 5.564 18.194 1.00 0.00 C ATOM 284 CG ASP A 18 103.283 4.415 19.081 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.820 3.462 18.541 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.114 4.511 20.285 1.00 0.00 O ATOM 0 H ASP A 18 105.893 5.710 17.661 1.00 0.00 H new ATOM 0 HA ASP A 18 104.025 4.970 16.492 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.627 6.456 18.797 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.837 5.303 17.740 1.00 0.00 H new ATOM 291 N SER A 19 104.210 7.787 15.654 1.00 0.00 N ATOM 292 CA SER A 19 103.815 8.771 14.604 1.00 0.00 C ATOM 293 C SER A 19 104.380 8.333 13.252 1.00 0.00 C ATOM 294 O SER A 19 105.475 7.806 13.173 1.00 0.00 O ATOM 295 CB SER A 19 104.436 10.095 15.045 1.00 0.00 C ATOM 296 OG SER A 19 103.957 10.431 16.340 1.00 0.00 O ATOM 0 H SER A 19 105.189 7.828 15.937 1.00 0.00 H new ATOM 0 HA SER A 19 102.734 8.853 14.491 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.523 10.014 15.057 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.183 10.883 14.335 1.00 0.00 H new ATOM 0 HG SER A 19 104.343 11.287 16.619 1.00 0.00 H new ATOM 302 N LYS A 20 103.644 8.548 12.190 1.00 0.00 N ATOM 303 CA LYS A 20 104.097 8.070 10.849 1.00 0.00 C ATOM 304 C LYS A 20 104.495 9.253 9.963 1.00 0.00 C ATOM 305 O LYS A 20 103.951 10.336 10.077 1.00 0.00 O ATOM 306 CB LYS A 20 102.879 7.361 10.255 1.00 0.00 C ATOM 307 CG LYS A 20 102.686 6.008 10.941 1.00 0.00 C ATOM 308 CD LYS A 20 101.442 5.321 10.375 1.00 0.00 C ATOM 309 CE LYS A 20 101.220 3.987 11.094 1.00 0.00 C ATOM 310 NZ LYS A 20 99.747 3.766 11.051 1.00 0.00 N ATOM 0 H LYS A 20 102.748 9.035 12.195 1.00 0.00 H new ATOM 0 HA LYS A 20 104.967 7.418 10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.989 7.976 10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 20 103.015 7.220 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.564 5.381 10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.580 6.146 12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.570 5.963 10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.562 5.153 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.755 3.177 10.598 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.583 4.027 12.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.516 2.869 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.264 4.549 11.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.431 3.725 10.061 1.00 0.00 H new ATOM 324 N ALA A 21 105.443 9.047 9.081 1.00 0.00 N ATOM 325 CA ALA A 21 105.830 10.124 8.118 1.00 0.00 C ATOM 326 C ALA A 21 106.404 9.506 6.840 1.00 0.00 C ATOM 327 O ALA A 21 106.924 8.407 6.857 1.00 0.00 O ATOM 328 CB ALA A 21 106.895 10.945 8.846 1.00 0.00 C ATOM 0 H ALA A 21 105.966 8.177 8.987 1.00 0.00 H new ATOM 0 HA ALA A 21 104.980 10.738 7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.231 11.758 8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.473 11.358 9.762 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.742 10.305 9.094 1.00 0.00 H new ATOM 334 N ARG A 22 106.312 10.206 5.734 1.00 0.00 N ATOM 335 CA ARG A 22 106.865 9.670 4.450 1.00 0.00 C ATOM 336 C ARG A 22 107.574 10.777 3.670 1.00 0.00 C ATOM 337 O ARG A 22 107.235 11.941 3.786 1.00 0.00 O ATOM 338 CB ARG A 22 105.652 9.132 3.672 1.00 0.00 C ATOM 339 CG ARG A 22 104.641 10.256 3.406 1.00 0.00 C ATOM 340 CD ARG A 22 103.347 9.659 2.843 1.00 0.00 C ATOM 341 NE ARG A 22 102.487 10.836 2.492 1.00 0.00 N ATOM 342 CZ ARG A 22 101.455 10.714 1.679 1.00 0.00 C ATOM 343 NH1 ARG A 22 101.126 9.559 1.148 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.739 11.770 1.400 1.00 0.00 N ATOM 0 H ARG A 22 105.877 11.126 5.665 1.00 0.00 H new ATOM 0 HA ARG A 22 107.606 8.888 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.981 8.700 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.175 8.332 4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.433 10.798 4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 22 105.058 10.975 2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.547 9.043 1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.857 9.019 3.577 1.00 0.00 H new ATOM 0 HE ARG A 22 102.704 11.750 2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.674 8.725 1.361 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.323 9.495 0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.981 12.673 1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.938 11.692 0.773 1.00 0.00 H new ATOM 358 N GLY A 23 108.560 10.419 2.884 1.00 0.00 N ATOM 359 CA GLY A 23 109.318 11.447 2.113 1.00 0.00 C ATOM 360 C GLY A 23 110.261 10.742 1.140 1.00 0.00 C ATOM 361 O GLY A 23 110.424 9.536 1.190 1.00 0.00 O ATOM 0 H GLY A 23 108.871 9.458 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.629 12.093 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.885 12.085 2.791 1.00 0.00 H new ATOM 365 N VAL A 24 110.882 11.482 0.255 1.00 0.00 N ATOM 366 CA VAL A 24 111.894 10.870 -0.660 1.00 0.00 C ATOM 367 C VAL A 24 113.288 11.046 -0.055 1.00 0.00 C ATOM 368 O VAL A 24 113.702 12.148 0.246 1.00 0.00 O ATOM 369 CB VAL A 24 111.795 11.653 -1.981 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.695 10.990 -3.034 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.341 11.672 -2.483 1.00 0.00 C ATOM 0 H VAL A 24 110.732 12.483 0.127 1.00 0.00 H new ATOM 0 HA VAL A 24 111.719 9.805 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 24 112.121 12.679 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.627 11.543 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.728 10.994 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.370 9.962 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 24 110.286 12.229 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 24 110.000 10.650 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.705 12.150 -1.738 1.00 0.00 H new ATOM 381 N ILE A 25 114.016 9.972 0.120 1.00 0.00 N ATOM 382 CA ILE A 25 115.313 10.053 0.874 1.00 0.00 C ATOM 383 C ILE A 25 116.304 10.987 0.159 1.00 0.00 C ATOM 384 O ILE A 25 116.475 10.928 -1.044 1.00 0.00 O ATOM 385 CB ILE A 25 115.833 8.602 0.936 1.00 0.00 C ATOM 386 CG1 ILE A 25 115.018 7.825 1.974 1.00 0.00 C ATOM 387 CG2 ILE A 25 117.319 8.567 1.329 1.00 0.00 C ATOM 388 CD1 ILE A 25 115.289 6.327 1.824 1.00 0.00 C ATOM 0 H ILE A 25 113.773 9.043 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 25 115.186 10.470 1.873 1.00 0.00 H new ATOM 0 HB ILE A 25 115.726 8.149 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 25 115.283 8.154 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.955 8.027 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.661 7.533 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.903 9.117 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.447 9.027 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.708 5.776 2.564 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.002 6.004 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.350 6.132 1.978 1.00 0.00 H new ATOM 400 N THR A 26 116.951 11.848 0.911 1.00 0.00 N ATOM 401 CA THR A 26 117.900 12.831 0.306 1.00 0.00 C ATOM 402 C THR A 26 119.316 12.677 0.880 1.00 0.00 C ATOM 403 O THR A 26 120.261 13.175 0.297 1.00 0.00 O ATOM 404 CB THR A 26 117.333 14.210 0.653 1.00 0.00 C ATOM 405 OG1 THR A 26 116.931 14.232 2.017 1.00 0.00 O ATOM 406 CG2 THR A 26 116.131 14.510 -0.242 1.00 0.00 C ATOM 0 H THR A 26 116.860 11.910 1.925 1.00 0.00 H new ATOM 0 HA THR A 26 117.989 12.678 -0.770 1.00 0.00 H new ATOM 0 HB THR A 26 118.101 14.967 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.427 15.053 2.196 1.00 0.00 H new ATOM 0 HG21 THR A 26 115.729 15.492 0.006 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.443 14.499 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.363 13.753 -0.085 1.00 0.00 H new ATOM 414 N ASN A 27 119.489 12.008 2.009 1.00 0.00 N ATOM 415 CA ASN A 27 120.885 11.773 2.517 1.00 0.00 C ATOM 416 C ASN A 27 120.916 10.712 3.622 1.00 0.00 C ATOM 417 O ASN A 27 119.929 10.449 4.279 1.00 0.00 O ATOM 418 CB ASN A 27 121.348 13.123 3.070 1.00 0.00 C ATOM 419 CG ASN A 27 122.876 13.181 3.065 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.495 13.111 2.022 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.516 13.307 4.195 1.00 0.00 N ATOM 0 H ASN A 27 118.740 11.624 2.586 1.00 0.00 H new ATOM 0 HA ASN A 27 121.532 11.404 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.941 13.934 2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 27 120.972 13.261 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.535 13.347 4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 27 122.997 13.366 5.071 1.00 0.00 H new ATOM 428 N PHE A 28 122.064 10.103 3.813 1.00 0.00 N ATOM 429 CA PHE A 28 122.265 9.154 4.952 1.00 0.00 C ATOM 430 C PHE A 28 123.735 9.182 5.378 1.00 0.00 C ATOM 431 O PHE A 28 124.622 8.922 4.586 1.00 0.00 O ATOM 432 CB PHE A 28 121.882 7.778 4.403 1.00 0.00 C ATOM 433 CG PHE A 28 122.031 6.662 5.410 1.00 0.00 C ATOM 434 CD1 PHE A 28 120.961 6.344 6.281 1.00 0.00 C ATOM 435 CD2 PHE A 28 123.245 5.934 5.484 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.103 5.298 7.226 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.388 4.889 6.429 1.00 0.00 C ATOM 438 CZ PHE A 28 122.317 4.571 7.299 1.00 0.00 C ATOM 0 H PHE A 28 122.882 10.227 3.217 1.00 0.00 H new ATOM 0 HA PHE A 28 121.667 9.410 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.849 7.809 4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.502 7.557 3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.036 6.899 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.061 6.176 4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.287 5.055 7.890 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.313 4.335 6.486 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.426 3.773 8.019 1.00 0.00 H new ATOM 448 N ASP A 29 123.994 9.497 6.623 1.00 0.00 N ATOM 449 CA ASP A 29 125.404 9.588 7.100 1.00 0.00 C ATOM 450 C ASP A 29 125.771 8.298 7.823 1.00 0.00 C ATOM 451 O ASP A 29 125.043 7.849 8.680 1.00 0.00 O ATOM 452 CB ASP A 29 125.421 10.772 8.069 1.00 0.00 C ATOM 453 CG ASP A 29 126.864 11.098 8.459 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.707 11.113 7.576 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.103 11.326 9.633 1.00 0.00 O ATOM 0 H ASP A 29 123.286 9.695 7.330 1.00 0.00 H new ATOM 0 HA ASP A 29 126.118 9.726 6.288 1.00 0.00 H new ATOM 0 HB2 ASP A 29 124.954 11.641 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.838 10.534 8.959 1.00 0.00 H new ATOM 460 N SER A 30 126.885 7.700 7.487 1.00 0.00 N ATOM 461 CA SER A 30 127.245 6.385 8.106 1.00 0.00 C ATOM 462 C SER A 30 127.618 6.569 9.579 1.00 0.00 C ATOM 463 O SER A 30 127.089 5.899 10.446 1.00 0.00 O ATOM 464 CB SER A 30 128.445 5.871 7.308 1.00 0.00 C ATOM 465 OG SER A 30 128.119 5.862 5.924 1.00 0.00 O ATOM 0 H SER A 30 127.560 8.062 6.813 1.00 0.00 H new ATOM 0 HA SER A 30 126.411 5.684 8.077 1.00 0.00 H new ATOM 0 HB2 SER A 30 129.313 6.506 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.712 4.867 7.637 1.00 0.00 H new ATOM 0 HG SER A 30 128.886 5.535 5.409 1.00 0.00 H new ATOM 471 N SER A 31 128.522 7.476 9.866 1.00 0.00 N ATOM 472 CA SER A 31 129.022 7.632 11.273 1.00 0.00 C ATOM 473 C SER A 31 127.874 8.000 12.223 1.00 0.00 C ATOM 474 O SER A 31 127.796 7.502 13.332 1.00 0.00 O ATOM 475 CB SER A 31 130.048 8.765 11.218 1.00 0.00 C ATOM 476 OG SER A 31 131.049 8.444 10.259 1.00 0.00 O ATOM 0 H SER A 31 128.936 8.116 9.188 1.00 0.00 H new ATOM 0 HA SER A 31 129.456 6.705 11.648 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.559 9.702 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.500 8.910 12.199 1.00 0.00 H new ATOM 0 HG SER A 31 131.708 9.168 10.219 1.00 0.00 H new ATOM 482 N ASN A 32 126.988 8.865 11.793 1.00 0.00 N ATOM 483 CA ASN A 32 125.872 9.311 12.686 1.00 0.00 C ATOM 484 C ASN A 32 124.540 8.640 12.307 1.00 0.00 C ATOM 485 O ASN A 32 123.572 8.743 13.036 1.00 0.00 O ATOM 486 CB ASN A 32 125.782 10.824 12.472 1.00 0.00 C ATOM 487 CG ASN A 32 127.049 11.498 13.004 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.607 11.076 13.999 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.532 12.536 12.379 1.00 0.00 N ATOM 0 H ASN A 32 126.989 9.282 10.862 1.00 0.00 H new ATOM 0 HA ASN A 32 126.061 9.042 13.725 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.660 11.044 11.411 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.905 11.222 12.983 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.376 12.992 12.725 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.066 12.891 11.544 1.00 0.00 H new ATOM 496 N SER A 33 124.477 7.951 11.179 1.00 0.00 N ATOM 497 CA SER A 33 123.171 7.372 10.695 1.00 0.00 C ATOM 498 C SER A 33 122.062 8.435 10.708 1.00 0.00 C ATOM 499 O SER A 33 121.116 8.357 11.474 1.00 0.00 O ATOM 500 CB SER A 33 122.850 6.224 11.660 1.00 0.00 C ATOM 501 OG SER A 33 123.981 5.371 11.766 1.00 0.00 O ATOM 0 H SER A 33 125.276 7.766 10.573 1.00 0.00 H new ATOM 0 HA SER A 33 123.241 7.021 9.666 1.00 0.00 H new ATOM 0 HB2 SER A 33 122.586 6.621 12.640 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.988 5.662 11.301 1.00 0.00 H new ATOM 0 HG SER A 33 123.780 4.637 12.383 1.00 0.00 H new ATOM 507 N ILE A 34 122.179 9.427 9.859 1.00 0.00 N ATOM 508 CA ILE A 34 121.192 10.555 9.875 1.00 0.00 C ATOM 509 C ILE A 34 120.509 10.647 8.510 1.00 0.00 C ATOM 510 O ILE A 34 121.163 10.746 7.492 1.00 0.00 O ATOM 511 CB ILE A 34 122.016 11.825 10.158 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.842 11.660 11.454 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.080 13.033 10.294 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.930 11.468 12.681 1.00 0.00 C ATOM 0 H ILE A 34 122.914 9.505 9.156 1.00 0.00 H new ATOM 0 HA ILE A 34 120.413 10.417 10.625 1.00 0.00 H new ATOM 0 HB ILE A 34 122.700 11.986 9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.508 10.803 11.356 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.471 12.538 11.600 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.668 13.928 10.494 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.521 13.166 9.368 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.385 12.864 11.117 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.543 11.355 13.575 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.282 12.337 12.792 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.319 10.576 12.544 1.00 0.00 H new ATOM 526 N LEU A 35 119.201 10.622 8.487 1.00 0.00 N ATOM 527 CA LEU A 35 118.470 10.498 7.191 1.00 0.00 C ATOM 528 C LEU A 35 117.641 11.752 6.924 1.00 0.00 C ATOM 529 O LEU A 35 116.753 12.093 7.683 1.00 0.00 O ATOM 530 CB LEU A 35 117.562 9.281 7.373 1.00 0.00 C ATOM 531 CG LEU A 35 116.897 8.927 6.041 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.890 8.171 5.157 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.676 8.045 6.306 1.00 0.00 C ATOM 0 H LEU A 35 118.606 10.682 9.313 1.00 0.00 H new ATOM 0 HA LEU A 35 119.146 10.385 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.143 8.433 7.737 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.802 9.492 8.125 1.00 0.00 H new ATOM 0 HG LEU A 35 116.586 9.841 5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.415 7.920 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.762 8.798 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.202 7.256 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.199 7.790 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.990 7.132 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.968 8.584 6.936 1.00 0.00 H new ATOM 545 N GLN A 36 117.931 12.436 5.849 1.00 0.00 N ATOM 546 CA GLN A 36 117.062 13.565 5.415 1.00 0.00 C ATOM 547 C GLN A 36 115.996 13.039 4.458 1.00 0.00 C ATOM 548 O GLN A 36 116.299 12.299 3.542 1.00 0.00 O ATOM 549 CB GLN A 36 117.995 14.537 4.692 1.00 0.00 C ATOM 550 CG GLN A 36 118.938 15.189 5.705 1.00 0.00 C ATOM 551 CD GLN A 36 119.866 16.170 4.986 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.457 16.847 4.063 1.00 0.00 O ATOM 553 NE2 GLN A 36 121.108 16.277 5.373 1.00 0.00 N ATOM 0 H GLN A 36 118.738 12.259 5.250 1.00 0.00 H new ATOM 0 HA GLN A 36 116.551 14.047 6.249 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.570 14.008 3.932 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.413 15.301 4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.362 15.711 6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.525 14.425 6.215 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.452 15.709 6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.735 16.929 4.901 1.00 0.00 H new ATOM 562 N LEU A 37 114.756 13.410 4.665 1.00 0.00 N ATOM 563 CA LEU A 37 113.683 13.013 3.706 1.00 0.00 C ATOM 564 C LEU A 37 113.062 14.257 3.075 1.00 0.00 C ATOM 565 O LEU A 37 112.576 15.138 3.763 1.00 0.00 O ATOM 566 CB LEU A 37 112.640 12.279 4.553 1.00 0.00 C ATOM 567 CG LEU A 37 113.220 10.961 5.070 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.353 10.440 6.219 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.235 9.930 3.938 1.00 0.00 C ATOM 0 H LEU A 37 114.442 13.971 5.457 1.00 0.00 H new ATOM 0 HA LEU A 37 114.065 12.391 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.334 12.905 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.748 12.085 3.958 1.00 0.00 H new ATOM 0 HG LEU A 37 114.237 11.126 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.765 9.501 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.339 11.173 7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.337 10.275 5.862 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.648 8.991 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.218 9.764 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.850 10.300 3.117 1.00 0.00 H new ATOM 581 N ARG A 38 113.076 14.333 1.770 1.00 0.00 N ATOM 582 CA ARG A 38 112.365 15.446 1.068 1.00 0.00 C ATOM 583 C ARG A 38 111.062 14.928 0.452 1.00 0.00 C ATOM 584 O ARG A 38 111.074 14.248 -0.557 1.00 0.00 O ATOM 585 CB ARG A 38 113.334 15.899 -0.027 1.00 0.00 C ATOM 586 CG ARG A 38 112.780 17.142 -0.728 1.00 0.00 C ATOM 587 CD ARG A 38 113.730 17.559 -1.856 1.00 0.00 C ATOM 588 NE ARG A 38 113.147 18.821 -2.409 1.00 0.00 N ATOM 589 CZ ARG A 38 112.093 18.807 -3.203 1.00 0.00 C ATOM 590 NH1 ARG A 38 111.493 17.686 -3.533 1.00 0.00 N ATOM 591 NH2 ARG A 38 111.632 19.936 -3.668 1.00 0.00 N ATOM 0 H ARG A 38 113.551 13.670 1.157 1.00 0.00 H new ATOM 0 HA ARG A 38 112.098 16.261 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.310 16.119 0.406 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.480 15.097 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.789 16.934 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 38 112.668 17.957 -0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.740 17.723 -1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.796 16.786 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 38 113.575 19.715 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 38 111.840 16.797 -3.174 1.00 0.00 H new ATOM 0 HH12 ARG A 38 110.680 17.705 -4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.086 20.814 -3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 38 110.818 19.940 -4.283 1.00 0.00 H new ATOM 605 N LEU A 39 109.944 15.245 1.052 1.00 0.00 N ATOM 606 CA LEU A 39 108.639 14.706 0.553 1.00 0.00 C ATOM 607 C LEU A 39 108.088 15.586 -0.579 1.00 0.00 C ATOM 608 O LEU A 39 108.419 16.756 -0.689 1.00 0.00 O ATOM 609 CB LEU A 39 107.718 14.718 1.784 1.00 0.00 C ATOM 610 CG LEU A 39 106.297 14.241 1.434 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.311 12.807 0.889 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.452 14.271 2.707 1.00 0.00 C ATOM 0 H LEU A 39 109.876 15.854 1.867 1.00 0.00 H new ATOM 0 HA LEU A 39 108.731 13.705 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.137 14.076 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.673 15.726 2.195 1.00 0.00 H new ATOM 0 HG LEU A 39 105.885 14.898 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.293 12.498 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.923 12.766 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.727 12.136 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.440 13.936 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.894 13.610 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.418 15.288 3.098 1.00 0.00 H new ATOM 624 N ALA A 40 107.242 15.021 -1.413 1.00 0.00 N ATOM 625 CA ALA A 40 106.800 15.724 -2.665 1.00 0.00 C ATOM 626 C ALA A 40 105.950 16.969 -2.363 1.00 0.00 C ATOM 627 O ALA A 40 105.558 17.681 -3.270 1.00 0.00 O ATOM 628 CB ALA A 40 105.967 14.693 -3.431 1.00 0.00 C ATOM 0 H ALA A 40 106.836 14.095 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 40 107.660 16.079 -3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.608 15.134 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.583 13.823 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.116 14.387 -2.822 1.00 0.00 H new ATOM 634 N ASN A 41 105.657 17.245 -1.111 1.00 0.00 N ATOM 635 CA ASN A 41 104.980 18.534 -0.759 1.00 0.00 C ATOM 636 C ASN A 41 106.015 19.660 -0.566 1.00 0.00 C ATOM 637 O ASN A 41 105.788 20.580 0.197 1.00 0.00 O ATOM 638 CB ASN A 41 104.243 18.255 0.555 1.00 0.00 C ATOM 639 CG ASN A 41 103.117 17.248 0.309 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.472 17.278 -0.721 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.853 16.349 1.217 1.00 0.00 N ATOM 0 H ASN A 41 105.858 16.633 -0.320 1.00 0.00 H new ATOM 0 HA ASN A 41 104.303 18.863 -1.547 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.938 17.864 1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.834 19.182 0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 41 102.106 15.672 1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 41 103.394 16.323 2.081 1.00 0.00 H new ATOM 648 N ASP A 42 107.154 19.593 -1.244 1.00 0.00 N ATOM 649 CA ASP A 42 108.158 20.712 -1.206 1.00 0.00 C ATOM 650 C ASP A 42 108.627 20.962 0.234 1.00 0.00 C ATOM 651 O ASP A 42 108.948 22.078 0.598 1.00 0.00 O ATOM 652 CB ASP A 42 107.439 21.954 -1.762 1.00 0.00 C ATOM 653 CG ASP A 42 107.043 21.709 -3.220 1.00 0.00 C ATOM 654 OD1 ASP A 42 105.950 21.214 -3.442 1.00 0.00 O ATOM 655 OD2 ASP A 42 107.841 22.019 -4.089 1.00 0.00 O ATOM 0 H ASP A 42 107.426 18.800 -1.825 1.00 0.00 H new ATOM 0 HA ASP A 42 109.043 20.471 -1.795 1.00 0.00 H new ATOM 0 HB2 ASP A 42 106.553 22.171 -1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 42 108.091 22.825 -1.693 1.00 0.00 H new ATOM 660 N SER A 43 108.669 19.930 1.056 1.00 0.00 N ATOM 661 CA SER A 43 109.143 20.116 2.463 1.00 0.00 C ATOM 662 C SER A 43 110.300 19.161 2.768 1.00 0.00 C ATOM 663 O SER A 43 110.275 18.002 2.393 1.00 0.00 O ATOM 664 CB SER A 43 107.932 19.785 3.334 1.00 0.00 C ATOM 665 OG SER A 43 106.879 20.695 3.040 1.00 0.00 O ATOM 0 H SER A 43 108.397 18.978 0.811 1.00 0.00 H new ATOM 0 HA SER A 43 109.513 21.126 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 43 107.606 18.761 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.200 19.849 4.389 1.00 0.00 H new ATOM 0 HG SER A 43 106.504 20.487 2.159 1.00 0.00 H new ATOM 671 N THR A 44 111.311 19.646 3.447 1.00 0.00 N ATOM 672 CA THR A 44 112.446 18.760 3.859 1.00 0.00 C ATOM 673 C THR A 44 112.342 18.423 5.352 1.00 0.00 C ATOM 674 O THR A 44 111.814 19.197 6.132 1.00 0.00 O ATOM 675 CB THR A 44 113.726 19.565 3.563 1.00 0.00 C ATOM 676 OG1 THR A 44 114.858 18.792 3.934 1.00 0.00 O ATOM 677 CG2 THR A 44 113.739 20.888 4.345 1.00 0.00 C ATOM 0 H THR A 44 111.400 20.621 3.735 1.00 0.00 H new ATOM 0 HA THR A 44 112.441 17.811 3.322 1.00 0.00 H new ATOM 0 HB THR A 44 113.754 19.793 2.497 1.00 0.00 H new ATOM 0 HG1 THR A 44 115.676 19.298 3.746 1.00 0.00 H new ATOM 0 HG21 THR A 44 114.653 21.436 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.875 21.488 4.059 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.698 20.679 5.414 1.00 0.00 H new ATOM 685 N LYS A 45 112.840 17.279 5.751 1.00 0.00 N ATOM 686 CA LYS A 45 112.807 16.907 7.199 1.00 0.00 C ATOM 687 C LYS A 45 114.001 16.013 7.547 1.00 0.00 C ATOM 688 O LYS A 45 114.152 14.933 7.006 1.00 0.00 O ATOM 689 CB LYS A 45 111.492 16.148 7.384 1.00 0.00 C ATOM 690 CG LYS A 45 111.231 15.933 8.876 1.00 0.00 C ATOM 691 CD LYS A 45 110.021 15.016 9.057 1.00 0.00 C ATOM 692 CE LYS A 45 108.741 15.779 8.704 1.00 0.00 C ATOM 693 NZ LYS A 45 107.630 14.857 9.066 1.00 0.00 N ATOM 0 H LYS A 45 113.268 16.587 5.136 1.00 0.00 H new ATOM 0 HA LYS A 45 112.868 17.779 7.850 1.00 0.00 H new ATOM 0 HB2 LYS A 45 110.671 16.709 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.539 15.188 6.870 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.108 15.492 9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.052 16.890 9.366 1.00 0.00 H new ATOM 0 HD2 LYS A 45 110.120 14.137 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 45 109.972 14.660 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.674 16.715 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 45 108.713 16.034 7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 106.719 15.311 8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.716 13.978 8.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 107.678 14.638 10.081 1.00 0.00 H new ATOM 707 N SER A 46 114.845 16.459 8.447 1.00 0.00 N ATOM 708 CA SER A 46 116.034 15.642 8.840 1.00 0.00 C ATOM 709 C SER A 46 115.720 14.816 10.090 1.00 0.00 C ATOM 710 O SER A 46 115.378 15.355 11.127 1.00 0.00 O ATOM 711 CB SER A 46 117.134 16.660 9.134 1.00 0.00 C ATOM 712 OG SER A 46 116.790 17.405 10.295 1.00 0.00 O ATOM 0 H SER A 46 114.760 17.355 8.926 1.00 0.00 H new ATOM 0 HA SER A 46 116.327 14.939 8.060 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.086 16.150 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.262 17.330 8.283 1.00 0.00 H new ATOM 0 HG SER A 46 116.043 16.968 10.755 1.00 0.00 H new ATOM 718 N ILE A 47 115.834 13.513 9.996 1.00 0.00 N ATOM 719 CA ILE A 47 115.554 12.637 11.176 1.00 0.00 C ATOM 720 C ILE A 47 116.726 11.672 11.381 1.00 0.00 C ATOM 721 O ILE A 47 117.220 11.082 10.437 1.00 0.00 O ATOM 722 CB ILE A 47 114.264 11.874 10.831 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.120 12.867 10.586 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.882 10.950 11.993 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.929 12.134 9.963 1.00 0.00 C ATOM 0 H ILE A 47 116.110 13.017 9.149 1.00 0.00 H new ATOM 0 HA ILE A 47 115.435 13.204 12.099 1.00 0.00 H new ATOM 0 HB ILE A 47 114.435 11.283 9.931 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.822 13.333 11.525 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.454 13.667 9.925 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.968 10.412 11.744 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.687 10.236 12.170 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.720 11.544 12.892 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.117 12.840 9.790 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.231 11.689 9.015 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.589 11.350 10.640 1.00 0.00 H new ATOM 737 N VAL A 48 117.170 11.506 12.603 1.00 0.00 N ATOM 738 CA VAL A 48 118.273 10.532 12.874 1.00 0.00 C ATOM 739 C VAL A 48 117.681 9.117 12.970 1.00 0.00 C ATOM 740 O VAL A 48 116.752 8.877 13.713 1.00 0.00 O ATOM 741 CB VAL A 48 118.892 10.981 14.212 1.00 0.00 C ATOM 742 CG1 VAL A 48 120.040 10.039 14.603 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.421 12.422 14.088 1.00 0.00 C ATOM 0 H VAL A 48 116.818 12.001 13.422 1.00 0.00 H new ATOM 0 HA VAL A 48 119.028 10.509 12.088 1.00 0.00 H new ATOM 0 HB VAL A 48 118.124 10.947 14.985 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.471 10.364 15.550 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.658 9.024 14.708 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.807 10.059 13.829 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.857 12.732 15.038 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.181 12.465 13.308 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.599 13.090 13.830 1.00 0.00 H new ATOM 753 N THR A 49 118.219 8.184 12.223 1.00 0.00 N ATOM 754 CA THR A 49 117.549 6.849 12.056 1.00 0.00 C ATOM 755 C THR A 49 117.340 6.143 13.401 1.00 0.00 C ATOM 756 O THR A 49 116.459 5.315 13.541 1.00 0.00 O ATOM 757 CB THR A 49 118.500 6.026 11.178 1.00 0.00 C ATOM 758 OG1 THR A 49 119.779 5.971 11.793 1.00 0.00 O ATOM 759 CG2 THR A 49 118.621 6.674 9.796 1.00 0.00 C ATOM 0 H THR A 49 119.099 8.287 11.717 1.00 0.00 H new ATOM 0 HA THR A 49 116.560 6.965 11.613 1.00 0.00 H new ATOM 0 HB THR A 49 118.106 5.016 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.289 6.775 11.561 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.298 6.086 9.176 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.639 6.713 9.325 1.00 0.00 H new ATOM 0 HG23 THR A 49 119.013 7.686 9.902 1.00 0.00 H new ATOM 767 N LYS A 50 118.141 6.463 14.385 1.00 0.00 N ATOM 768 CA LYS A 50 118.035 5.765 15.710 1.00 0.00 C ATOM 769 C LYS A 50 116.622 5.899 16.291 1.00 0.00 C ATOM 770 O LYS A 50 116.181 5.061 17.057 1.00 0.00 O ATOM 771 CB LYS A 50 119.057 6.454 16.619 1.00 0.00 C ATOM 772 CG LYS A 50 119.194 5.670 17.927 1.00 0.00 C ATOM 773 CD LYS A 50 119.994 4.391 17.675 1.00 0.00 C ATOM 774 CE LYS A 50 120.217 3.659 19.001 1.00 0.00 C ATOM 775 NZ LYS A 50 121.395 4.331 19.617 1.00 0.00 N ATOM 0 H LYS A 50 118.866 7.178 14.332 1.00 0.00 H new ATOM 0 HA LYS A 50 118.230 4.697 15.614 1.00 0.00 H new ATOM 0 HB2 LYS A 50 120.023 6.514 16.117 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.742 7.476 16.828 1.00 0.00 H new ATOM 0 HG2 LYS A 50 119.693 6.281 18.679 1.00 0.00 H new ATOM 0 HG3 LYS A 50 118.208 5.423 18.320 1.00 0.00 H new ATOM 0 HD2 LYS A 50 119.460 3.747 16.977 1.00 0.00 H new ATOM 0 HD3 LYS A 50 120.952 4.633 17.215 1.00 0.00 H new ATOM 0 HE2 LYS A 50 119.340 3.731 19.644 1.00 0.00 H new ATOM 0 HE3 LYS A 50 120.407 2.598 18.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 122.186 3.658 19.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 121.676 5.144 19.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 121.147 4.661 20.572 1.00 0.00 H new ATOM 789 N ASP A 51 115.912 6.942 15.935 1.00 0.00 N ATOM 790 CA ASP A 51 114.499 7.078 16.414 1.00 0.00 C ATOM 791 C ASP A 51 113.520 6.317 15.501 1.00 0.00 C ATOM 792 O ASP A 51 112.319 6.420 15.668 1.00 0.00 O ATOM 793 CB ASP A 51 114.194 8.588 16.426 1.00 0.00 C ATOM 794 CG ASP A 51 114.340 9.198 15.025 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.804 8.634 14.086 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.983 10.230 14.919 1.00 0.00 O ATOM 0 H ASP A 51 116.245 7.699 15.339 1.00 0.00 H new ATOM 0 HA ASP A 51 114.379 6.644 17.407 1.00 0.00 H new ATOM 0 HB2 ASP A 51 113.181 8.754 16.793 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.870 9.092 17.117 1.00 0.00 H new ATOM 801 N ILE A 52 114.014 5.556 14.541 1.00 0.00 N ATOM 802 CA ILE A 52 113.087 4.728 13.699 1.00 0.00 C ATOM 803 C ILE A 52 112.605 3.511 14.498 1.00 0.00 C ATOM 804 O ILE A 52 113.396 2.731 14.996 1.00 0.00 O ATOM 805 CB ILE A 52 113.907 4.287 12.472 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.313 5.522 11.657 1.00 0.00 C ATOM 807 CG2 ILE A 52 113.063 3.359 11.585 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.281 5.110 10.542 1.00 0.00 C ATOM 0 H ILE A 52 115.004 5.475 14.310 1.00 0.00 H new ATOM 0 HA ILE A 52 112.202 5.288 13.397 1.00 0.00 H new ATOM 0 HB ILE A 52 114.797 3.757 12.812 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.429 5.993 11.228 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.784 6.260 12.307 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.649 3.051 10.719 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.769 2.478 12.156 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.171 3.888 11.250 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.567 5.990 9.965 1.00 0.00 H new ATOM 0 HD12 ILE A 52 116.171 4.659 10.981 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.794 4.388 9.886 1.00 0.00 H new ATOM 820 N LYS A 53 111.310 3.352 14.618 1.00 0.00 N ATOM 821 CA LYS A 53 110.752 2.096 15.205 1.00 0.00 C ATOM 822 C LYS A 53 110.460 1.083 14.089 1.00 0.00 C ATOM 823 O LYS A 53 110.518 -0.113 14.305 1.00 0.00 O ATOM 824 CB LYS A 53 109.457 2.515 15.902 1.00 0.00 C ATOM 825 CG LYS A 53 108.908 1.341 16.716 1.00 0.00 C ATOM 826 CD LYS A 53 109.747 1.160 17.983 1.00 0.00 C ATOM 827 CE LYS A 53 109.157 0.030 18.829 1.00 0.00 C ATOM 828 NZ LYS A 53 109.663 -1.224 18.204 1.00 0.00 N ATOM 0 H LYS A 53 110.614 4.041 14.333 1.00 0.00 H new ATOM 0 HA LYS A 53 111.446 1.621 15.899 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.643 3.368 16.555 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.722 2.834 15.163 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.866 1.524 16.980 1.00 0.00 H new ATOM 0 HG3 LYS A 53 108.930 0.429 16.119 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.779 0.930 17.719 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.764 2.087 18.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.474 0.109 19.869 1.00 0.00 H new ATOM 0 HE3 LYS A 53 108.067 0.061 18.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.881 -1.902 18.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 110.057 -1.010 17.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 110.405 -1.637 18.805 1.00 0.00 H new ATOM 842 N ASP A 54 110.154 1.559 12.902 1.00 0.00 N ATOM 843 CA ASP A 54 109.815 0.635 11.770 1.00 0.00 C ATOM 844 C ASP A 54 109.899 1.384 10.435 1.00 0.00 C ATOM 845 O ASP A 54 109.758 2.592 10.383 1.00 0.00 O ATOM 846 CB ASP A 54 108.376 0.172 12.032 1.00 0.00 C ATOM 847 CG ASP A 54 108.379 -1.104 12.879 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.209 -1.961 12.624 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.550 -1.201 13.769 1.00 0.00 O ATOM 0 H ASP A 54 110.125 2.552 12.669 1.00 0.00 H new ATOM 0 HA ASP A 54 110.505 -0.207 11.713 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.821 0.957 12.545 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.867 -0.012 11.086 1.00 0.00 H new ATOM 854 N LEU A 55 110.130 0.669 9.359 1.00 0.00 N ATOM 855 CA LEU A 55 110.248 1.326 8.019 1.00 0.00 C ATOM 856 C LEU A 55 109.411 0.574 6.979 1.00 0.00 C ATOM 857 O LEU A 55 109.223 -0.625 7.072 1.00 0.00 O ATOM 858 CB LEU A 55 111.734 1.240 7.659 1.00 0.00 C ATOM 859 CG LEU A 55 112.556 2.096 8.625 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.043 1.788 8.439 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.307 3.578 8.335 1.00 0.00 C ATOM 0 H LEU A 55 110.242 -0.345 9.352 1.00 0.00 H new ATOM 0 HA LEU A 55 109.888 2.355 8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.068 0.203 7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.889 1.581 6.635 1.00 0.00 H new ATOM 0 HG LEU A 55 112.260 1.870 9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.630 2.397 9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.224 0.733 8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.336 2.014 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.893 4.187 9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.603 3.803 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.248 3.801 8.464 1.00 0.00 H new ATOM 873 N ARG A 56 108.909 1.276 5.991 1.00 0.00 N ATOM 874 CA ARG A 56 108.159 0.606 4.886 1.00 0.00 C ATOM 875 C ARG A 56 108.291 1.423 3.594 1.00 0.00 C ATOM 876 O ARG A 56 108.277 2.638 3.626 1.00 0.00 O ATOM 877 CB ARG A 56 106.697 0.559 5.366 1.00 0.00 C ATOM 878 CG ARG A 56 106.080 1.970 5.349 1.00 0.00 C ATOM 879 CD ARG A 56 105.025 2.102 6.452 1.00 0.00 C ATOM 880 NE ARG A 56 103.982 1.070 6.144 1.00 0.00 N ATOM 881 CZ ARG A 56 103.106 0.684 7.052 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.102 1.191 8.266 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.219 -0.219 6.739 1.00 0.00 N ATOM 0 H ARG A 56 108.988 2.289 5.904 1.00 0.00 H new ATOM 0 HA ARG A 56 108.539 -0.392 4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.118 -0.105 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.652 0.148 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.861 2.717 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.626 2.164 4.377 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.464 1.933 7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.594 3.103 6.463 1.00 0.00 H new ATOM 0 HE ARG A 56 103.949 0.657 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.788 1.901 8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.413 0.874 8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.208 -0.619 5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.537 -0.525 7.432 1.00 0.00 H new ATOM 897 N ILE A 57 108.421 0.771 2.468 1.00 0.00 N ATOM 898 CA ILE A 57 108.413 1.516 1.170 1.00 0.00 C ATOM 899 C ILE A 57 106.967 1.718 0.696 1.00 0.00 C ATOM 900 O ILE A 57 106.173 0.796 0.702 1.00 0.00 O ATOM 901 CB ILE A 57 109.190 0.641 0.173 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.601 0.354 0.710 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.307 1.388 -1.159 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.267 -0.725 -0.148 1.00 0.00 C ATOM 0 H ILE A 57 108.532 -0.240 2.389 1.00 0.00 H new ATOM 0 HA ILE A 57 108.868 2.502 1.265 1.00 0.00 H new ATOM 0 HB ILE A 57 108.660 -0.301 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.199 1.265 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.546 0.025 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.857 0.775 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.310 1.594 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.837 2.328 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.268 -0.927 0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.673 -1.638 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.336 -0.379 -1.179 1.00 0.00 H new ATOM 916 N LEU A 58 106.626 2.916 0.287 1.00 0.00 N ATOM 917 CA LEU A 58 105.242 3.178 -0.218 1.00 0.00 C ATOM 918 C LEU A 58 105.144 2.805 -1.706 1.00 0.00 C ATOM 919 O LEU A 58 106.155 2.699 -2.374 1.00 0.00 O ATOM 920 CB LEU A 58 105.013 4.679 -0.030 1.00 0.00 C ATOM 921 CG LEU A 58 104.887 4.997 1.461 1.00 0.00 C ATOM 922 CD1 LEU A 58 104.965 6.512 1.669 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.543 4.481 1.980 1.00 0.00 C ATOM 0 H LEU A 58 107.248 3.725 0.281 1.00 0.00 H new ATOM 0 HA LEU A 58 104.496 2.587 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.841 5.240 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 58 104.109 4.988 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 58 105.698 4.513 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.875 6.738 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.921 6.881 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.154 6.996 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.452 4.707 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.732 4.965 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.486 3.403 1.832 1.00 0.00 H new ATOM 1736 N SER B 257 112.038 -4.704 2.962 1.00 0.00 N ATOM 1737 CA SER B 257 111.759 -3.549 3.885 1.00 0.00 C ATOM 1738 C SER B 257 112.245 -3.871 5.303 1.00 0.00 C ATOM 1739 O SER B 257 112.711 -3.005 6.024 1.00 0.00 O ATOM 1740 CB SER B 257 110.237 -3.391 3.877 1.00 0.00 C ATOM 1741 OG SER B 257 109.881 -2.251 4.648 1.00 0.00 O ATOM 0 HA SER B 257 112.270 -2.641 3.567 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.876 -3.280 2.854 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.765 -4.284 4.287 1.00 0.00 H new ATOM 0 HG SER B 257 109.831 -2.499 5.595 1.00 0.00 H new ATOM 1747 N SER B 258 112.134 -5.116 5.697 1.00 0.00 N ATOM 1748 CA SER B 258 112.606 -5.528 7.057 1.00 0.00 C ATOM 1749 C SER B 258 114.133 -5.433 7.139 1.00 0.00 C ATOM 1750 O SER B 258 114.688 -5.159 8.188 1.00 0.00 O ATOM 1751 CB SER B 258 112.150 -6.979 7.228 1.00 0.00 C ATOM 1752 OG SER B 258 110.746 -7.058 7.018 1.00 0.00 O ATOM 0 H SER B 258 111.736 -5.867 5.134 1.00 0.00 H new ATOM 0 HA SER B 258 112.202 -4.885 7.839 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.672 -7.622 6.520 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.401 -7.336 8.227 1.00 0.00 H new ATOM 0 HG SER B 258 110.451 -7.986 7.125 1.00 0.00 H new ATOM 1758 N GLN B 259 114.813 -5.656 6.037 1.00 0.00 N ATOM 1759 CA GLN B 259 116.309 -5.553 6.032 1.00 0.00 C ATOM 1760 C GLN B 259 116.746 -4.120 6.353 1.00 0.00 C ATOM 1761 O GLN B 259 117.733 -3.904 7.032 1.00 0.00 O ATOM 1762 CB GLN B 259 116.740 -5.938 4.613 1.00 0.00 C ATOM 1763 CG GLN B 259 118.261 -6.101 4.565 1.00 0.00 C ATOM 1764 CD GLN B 259 118.707 -6.328 3.120 1.00 0.00 C ATOM 1765 OE1 GLN B 259 118.399 -5.541 2.247 1.00 0.00 O ATOM 1766 NE2 GLN B 259 119.424 -7.378 2.828 1.00 0.00 N ATOM 0 H GLN B 259 114.396 -5.905 5.140 1.00 0.00 H new ATOM 0 HA GLN B 259 116.763 -6.200 6.782 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.255 -6.867 4.314 1.00 0.00 H new ATOM 0 HB3 GLN B 259 116.424 -5.172 3.905 1.00 0.00 H new ATOM 0 HG2 GLN B 259 118.745 -5.212 4.970 1.00 0.00 H new ATOM 0 HG3 GLN B 259 118.567 -6.942 5.187 1.00 0.00 H new ATOM 0 HE21 GLN B 259 119.683 -8.039 3.561 1.00 0.00 H new ATOM 0 HE22 GLN B 259 119.726 -7.538 1.867 1.00 0.00 H new ATOM 1775 N LEU B 260 116.015 -3.142 5.870 1.00 0.00 N ATOM 1776 CA LEU B 260 116.371 -1.713 6.158 1.00 0.00 C ATOM 1777 C LEU B 260 116.248 -1.428 7.658 1.00 0.00 C ATOM 1778 O LEU B 260 117.103 -0.788 8.245 1.00 0.00 O ATOM 1779 CB LEU B 260 115.360 -0.872 5.373 1.00 0.00 C ATOM 1780 CG LEU B 260 115.607 -1.040 3.873 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.421 -0.469 3.093 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.883 -0.292 3.480 1.00 0.00 C ATOM 0 H LEU B 260 115.187 -3.271 5.289 1.00 0.00 H new ATOM 0 HA LEU B 260 117.397 -1.485 5.870 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.345 -1.181 5.621 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.451 0.178 5.651 1.00 0.00 H new ATOM 0 HG LEU B 260 115.719 -2.099 3.640 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.597 -0.589 2.024 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.512 -1.001 3.373 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.308 0.590 3.326 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.060 -0.411 2.411 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.771 0.767 3.713 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.728 -0.698 4.035 1.00 0.00 H new ATOM 1794 N LEU B 261 115.194 -1.898 8.278 1.00 0.00 N ATOM 1795 CA LEU B 261 115.056 -1.735 9.760 1.00 0.00 C ATOM 1796 C LEU B 261 116.066 -2.635 10.475 1.00 0.00 C ATOM 1797 O LEU B 261 116.643 -2.260 11.479 1.00 0.00 O ATOM 1798 CB LEU B 261 113.621 -2.161 10.089 1.00 0.00 C ATOM 1799 CG LEU B 261 113.267 -1.719 11.511 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.105 -0.197 11.549 1.00 0.00 C ATOM 1801 CD2 LEU B 261 111.954 -2.379 11.938 1.00 0.00 C ATOM 0 H LEU B 261 114.423 -2.387 7.823 1.00 0.00 H new ATOM 0 HA LEU B 261 115.249 -0.712 10.083 1.00 0.00 H new ATOM 0 HB2 LEU B 261 112.927 -1.717 9.376 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.522 -3.243 9.998 1.00 0.00 H new ATOM 0 HG LEU B 261 114.064 -2.017 12.192 1.00 0.00 H new ATOM 0 HD11 LEU B 261 112.853 0.117 12.562 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.039 0.276 11.244 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.308 0.101 10.868 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.701 -2.065 12.951 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.158 -2.080 11.256 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.066 -3.463 11.912 1.00 0.00 H new ATOM 1813 N SER B 262 116.281 -3.824 9.959 1.00 0.00 N ATOM 1814 CA SER B 262 117.310 -4.741 10.553 1.00 0.00 C ATOM 1815 C SER B 262 118.707 -4.116 10.456 1.00 0.00 C ATOM 1816 O SER B 262 119.530 -4.280 11.337 1.00 0.00 O ATOM 1817 CB SER B 262 117.244 -6.021 9.717 1.00 0.00 C ATOM 1818 OG SER B 262 118.084 -7.007 10.300 1.00 0.00 O ATOM 0 H SER B 262 115.787 -4.200 9.150 1.00 0.00 H new ATOM 0 HA SER B 262 117.119 -4.932 11.609 1.00 0.00 H new ATOM 0 HB2 SER B 262 116.218 -6.384 9.668 1.00 0.00 H new ATOM 0 HB3 SER B 262 117.559 -5.817 8.694 1.00 0.00 H new ATOM 0 HG SER B 262 118.042 -7.829 9.767 1.00 0.00 H new ATOM 1824 N LEU B 263 118.973 -3.399 9.388 1.00 0.00 N ATOM 1825 CA LEU B 263 120.316 -2.749 9.224 1.00 0.00 C ATOM 1826 C LEU B 263 120.530 -1.692 10.312 1.00 0.00 C ATOM 1827 O LEU B 263 121.603 -1.580 10.876 1.00 0.00 O ATOM 1828 CB LEU B 263 120.287 -2.091 7.841 1.00 0.00 C ATOM 1829 CG LEU B 263 120.524 -3.151 6.763 1.00 0.00 C ATOM 1830 CD1 LEU B 263 119.975 -2.651 5.426 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.027 -3.413 6.629 1.00 0.00 C ATOM 0 H LEU B 263 118.319 -3.236 8.623 1.00 0.00 H new ATOM 0 HA LEU B 263 121.129 -3.470 9.312 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.326 -1.602 7.680 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.052 -1.317 7.779 1.00 0.00 H new ATOM 0 HG LEU B 263 120.016 -4.074 7.043 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.144 -3.406 4.658 1.00 0.00 H new ATOM 0 HD12 LEU B 263 118.906 -2.462 5.520 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.484 -1.729 5.146 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.198 -4.168 5.861 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.534 -2.490 6.349 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.421 -3.768 7.581 1.00 0.00 H new