USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 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= -0.928 K(o=-0.93,f=-11!) USER MOD Set 1.2: A 19 SER OG : rot -170:sc= 0 USER MOD Single : A 2 SER OG : rot 39:sc= 0.126 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 9 SER OG : rot -170:sc= -0.0587 USER MOD Single : A 10 ASN : amide:sc= -6.6! C(o=-6.6!,f=-10!) USER MOD Single : A 16 ASN : amide:sc= -1.64 K(o=-1.6,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -2.5 USER MOD Single : A 27 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.3!) 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=-0.64) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 41 ASN : amide:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 43 SER OG : rot 71:sc= 0.145 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 20:sc= 0.899 USER MOD Single : A 49 THR OG1 : rot -80:sc= 0.147 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 257 SER OG : rot 37:sc= 0.248 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) USER MOD Single : B 262 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.767 -1.550 -0.246 1.00 0.00 N ATOM 45 CA SER A 2 123.786 -0.577 0.890 1.00 0.00 C ATOM 46 C SER A 2 122.627 0.416 0.757 1.00 0.00 C ATOM 47 O SER A 2 121.861 0.363 -0.187 1.00 0.00 O ATOM 48 CB SER A 2 125.128 0.146 0.776 1.00 0.00 C ATOM 49 OG SER A 2 126.182 -0.787 0.973 1.00 0.00 O ATOM 0 HA SER A 2 123.672 -1.070 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 2 125.220 0.614 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.189 0.943 1.517 1.00 0.00 H new ATOM 0 HG SER A 2 125.950 -1.637 0.545 1.00 0.00 H new ATOM 55 N VAL A 3 122.500 1.320 1.698 1.00 0.00 N ATOM 56 CA VAL A 3 121.377 2.314 1.656 1.00 0.00 C ATOM 57 C VAL A 3 121.546 3.261 0.456 1.00 0.00 C ATOM 58 O VAL A 3 120.577 3.782 -0.062 1.00 0.00 O ATOM 59 CB VAL A 3 121.459 3.090 2.981 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.350 4.149 3.044 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.290 2.122 4.157 1.00 0.00 C ATOM 0 H VAL A 3 123.127 1.414 2.497 1.00 0.00 H new ATOM 0 HA VAL A 3 120.408 1.828 1.540 1.00 0.00 H new ATOM 0 HB VAL A 3 122.431 3.580 3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.418 4.692 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.465 4.847 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.377 3.662 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.349 2.675 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.320 1.629 4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 3 122.081 1.372 4.128 1.00 0.00 H new ATOM 71 N ALA A 4 122.765 3.487 0.016 1.00 0.00 N ATOM 72 CA ALA A 4 123.002 4.431 -1.132 1.00 0.00 C ATOM 73 C ALA A 4 122.168 4.014 -2.349 1.00 0.00 C ATOM 74 O ALA A 4 121.760 4.839 -3.147 1.00 0.00 O ATOM 75 CB ALA A 4 124.496 4.317 -1.449 1.00 0.00 C ATOM 0 H ALA A 4 123.607 3.059 0.401 1.00 0.00 H new ATOM 0 HA ALA A 4 122.715 5.452 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.743 4.979 -2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 4 125.077 4.602 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.732 3.289 -1.723 1.00 0.00 H new ATOM 81 N ASP A 5 121.919 2.735 -2.491 1.00 0.00 N ATOM 82 CA ASP A 5 121.019 2.252 -3.588 1.00 0.00 C ATOM 83 C ASP A 5 119.572 2.685 -3.317 1.00 0.00 C ATOM 84 O ASP A 5 118.805 2.911 -4.234 1.00 0.00 O ATOM 85 CB ASP A 5 121.133 0.724 -3.569 1.00 0.00 C ATOM 86 CG ASP A 5 122.551 0.310 -3.970 1.00 0.00 C ATOM 87 OD1 ASP A 5 123.384 0.190 -3.087 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.777 0.120 -5.154 1.00 0.00 O ATOM 0 H ASP A 5 122.301 2.002 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 5 121.301 2.665 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.900 0.344 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.408 0.287 -4.255 1.00 0.00 H new ATOM 93 N PHE A 6 119.199 2.799 -2.063 1.00 0.00 N ATOM 94 CA PHE A 6 117.792 3.177 -1.718 1.00 0.00 C ATOM 95 C PHE A 6 117.659 4.692 -1.469 1.00 0.00 C ATOM 96 O PHE A 6 116.634 5.152 -1.001 1.00 0.00 O ATOM 97 CB PHE A 6 117.474 2.399 -0.440 1.00 0.00 C ATOM 98 CG PHE A 6 117.485 0.901 -0.628 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.684 0.173 -0.435 1.00 0.00 C ATOM 100 CD2 PHE A 6 116.296 0.225 -0.997 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.694 -1.233 -0.611 1.00 0.00 C ATOM 102 CE2 PHE A 6 116.307 -1.181 -1.172 1.00 0.00 C ATOM 103 CZ PHE A 6 117.506 -1.909 -0.979 1.00 0.00 C ATOM 0 H PHE A 6 119.812 2.646 -1.262 1.00 0.00 H new ATOM 0 HA PHE A 6 117.107 2.941 -2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.199 2.666 0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.494 2.704 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.590 0.689 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.382 0.781 -1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.608 -1.789 -0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 6 115.401 -1.697 -1.453 1.00 0.00 H new ATOM 0 HZ PHE A 6 117.514 -2.981 -1.113 1.00 0.00 H new ATOM 113 N TYR A 7 118.678 5.469 -1.774 1.00 0.00 N ATOM 114 CA TYR A 7 118.543 6.961 -1.670 1.00 0.00 C ATOM 115 C TYR A 7 117.554 7.475 -2.724 1.00 0.00 C ATOM 116 O TYR A 7 117.541 7.015 -3.850 1.00 0.00 O ATOM 117 CB TYR A 7 119.949 7.514 -1.962 1.00 0.00 C ATOM 118 CG TYR A 7 120.861 7.632 -0.750 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.598 6.899 0.438 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.996 8.481 -0.812 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.469 7.016 1.550 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.860 8.597 0.299 1.00 0.00 C ATOM 123 CZ TYR A 7 122.600 7.865 1.479 1.00 0.00 C ATOM 124 OH TYR A 7 123.451 7.978 2.559 1.00 0.00 O ATOM 0 H TYR A 7 119.590 5.137 -2.088 1.00 0.00 H new ATOM 0 HA TYR A 7 118.172 7.270 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.430 6.870 -2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.848 8.499 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.735 6.253 0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.200 9.041 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.270 6.457 2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.721 9.247 0.246 1.00 0.00 H new ATOM 0 HH TYR A 7 124.175 8.601 2.341 1.00 0.00 H new ATOM 134 N GLY A 8 116.727 8.425 -2.359 1.00 0.00 N ATOM 135 CA GLY A 8 115.687 8.938 -3.306 1.00 0.00 C ATOM 136 C GLY A 8 114.438 8.038 -3.285 1.00 0.00 C ATOM 137 O GLY A 8 113.462 8.328 -3.952 1.00 0.00 O ATOM 0 H GLY A 8 116.728 8.869 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.411 9.957 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.096 8.977 -4.316 1.00 0.00 H new ATOM 141 N SER A 9 114.453 6.955 -2.536 1.00 0.00 N ATOM 142 CA SER A 9 113.256 6.058 -2.483 1.00 0.00 C ATOM 143 C SER A 9 112.152 6.687 -1.630 1.00 0.00 C ATOM 144 O SER A 9 112.414 7.264 -0.590 1.00 0.00 O ATOM 145 CB SER A 9 113.750 4.762 -1.838 1.00 0.00 C ATOM 146 OG SER A 9 114.728 4.162 -2.677 1.00 0.00 O ATOM 0 H SER A 9 115.242 6.657 -1.962 1.00 0.00 H new ATOM 0 HA SER A 9 112.835 5.887 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.175 4.970 -0.856 1.00 0.00 H new ATOM 0 HB3 SER A 9 112.916 4.077 -1.686 1.00 0.00 H new ATOM 0 HG SER A 9 114.931 3.261 -2.350 1.00 0.00 H new ATOM 152 N ASN A 10 110.920 6.580 -2.066 1.00 0.00 N ATOM 153 CA ASN A 10 109.772 7.058 -1.230 1.00 0.00 C ATOM 154 C ASN A 10 109.368 5.961 -0.245 1.00 0.00 C ATOM 155 O ASN A 10 108.975 4.877 -0.640 1.00 0.00 O ATOM 156 CB ASN A 10 108.630 7.326 -2.215 1.00 0.00 C ATOM 157 CG ASN A 10 109.011 8.466 -3.164 1.00 0.00 C ATOM 158 OD1 ASN A 10 110.111 8.507 -3.676 1.00 0.00 O ATOM 159 ND2 ASN A 10 108.136 9.401 -3.423 1.00 0.00 N ATOM 0 H ASN A 10 110.659 6.181 -2.968 1.00 0.00 H new ATOM 0 HA ASN A 10 110.024 7.949 -0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.413 6.424 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.722 7.584 -1.670 1.00 0.00 H new ATOM 0 HD21 ASN A 10 108.377 10.164 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.212 9.367 -2.993 1.00 0.00 H new ATOM 166 N VAL A 11 109.461 6.235 1.030 1.00 0.00 N ATOM 167 CA VAL A 11 109.102 5.204 2.052 1.00 0.00 C ATOM 168 C VAL A 11 108.420 5.872 3.246 1.00 0.00 C ATOM 169 O VAL A 11 108.518 7.072 3.430 1.00 0.00 O ATOM 170 CB VAL A 11 110.429 4.545 2.471 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.067 3.854 1.263 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.402 5.601 3.019 1.00 0.00 C ATOM 0 H VAL A 11 109.771 7.130 1.410 1.00 0.00 H new ATOM 0 HA VAL A 11 108.406 4.463 1.660 1.00 0.00 H new ATOM 0 HB VAL A 11 110.221 3.811 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.006 3.389 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.390 3.090 0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.260 4.590 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.335 5.119 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.603 6.345 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.959 6.089 3.887 1.00 0.00 H new ATOM 182 N GLU A 12 107.731 5.108 4.057 1.00 0.00 N ATOM 183 CA GLU A 12 107.112 5.691 5.284 1.00 0.00 C ATOM 184 C GLU A 12 107.846 5.191 6.530 1.00 0.00 C ATOM 185 O GLU A 12 108.021 4.003 6.724 1.00 0.00 O ATOM 186 CB GLU A 12 105.667 5.185 5.274 1.00 0.00 C ATOM 187 CG GLU A 12 104.879 5.844 6.411 1.00 0.00 C ATOM 188 CD GLU A 12 103.457 5.276 6.448 1.00 0.00 C ATOM 189 OE1 GLU A 12 102.870 5.132 5.388 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.981 4.996 7.535 1.00 0.00 O ATOM 0 H GLU A 12 107.572 4.110 3.922 1.00 0.00 H new ATOM 0 HA GLU A 12 107.163 6.780 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.199 5.412 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.651 4.101 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.378 5.665 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 12 104.846 6.924 6.266 1.00 0.00 H new ATOM 197 N VAL A 13 108.279 6.093 7.375 1.00 0.00 N ATOM 198 CA VAL A 13 109.037 5.682 8.595 1.00 0.00 C ATOM 199 C VAL A 13 108.156 5.848 9.839 1.00 0.00 C ATOM 200 O VAL A 13 107.651 6.920 10.113 1.00 0.00 O ATOM 201 CB VAL A 13 110.244 6.635 8.655 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.113 6.302 9.872 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.087 6.486 7.382 1.00 0.00 C ATOM 0 H VAL A 13 108.140 7.098 7.272 1.00 0.00 H new ATOM 0 HA VAL A 13 109.347 4.638 8.560 1.00 0.00 H new ATOM 0 HB VAL A 13 109.879 7.659 8.737 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.965 6.981 9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.523 6.413 10.782 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.470 5.275 9.794 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.940 7.163 7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.443 5.459 7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.478 6.730 6.512 1.00 0.00 H new ATOM 213 N LEU A 14 107.971 4.788 10.589 1.00 0.00 N ATOM 214 CA LEU A 14 107.205 4.890 11.867 1.00 0.00 C ATOM 215 C LEU A 14 108.182 5.065 13.036 1.00 0.00 C ATOM 216 O LEU A 14 109.184 4.379 13.119 1.00 0.00 O ATOM 217 CB LEU A 14 106.451 3.562 11.984 1.00 0.00 C ATOM 218 CG LEU A 14 105.493 3.614 13.176 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.263 4.445 12.810 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.055 2.191 13.538 1.00 0.00 C ATOM 0 H LEU A 14 108.319 3.855 10.369 1.00 0.00 H new ATOM 0 HA LEU A 14 106.524 5.741 11.885 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.895 3.367 11.067 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.158 2.742 12.109 1.00 0.00 H new ATOM 0 HG LEU A 14 105.998 4.070 14.027 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.582 4.481 13.660 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.572 5.457 12.550 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.757 3.990 11.959 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.372 2.225 14.387 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.550 1.737 12.685 1.00 0.00 H new ATOM 0 HD23 LEU A 14 105.930 1.596 13.800 1.00 0.00 H new ATOM 232 N LEU A 15 107.896 5.975 13.935 1.00 0.00 N ATOM 233 CA LEU A 15 108.886 6.310 15.007 1.00 0.00 C ATOM 234 C LEU A 15 108.486 5.682 16.348 1.00 0.00 C ATOM 235 O LEU A 15 107.390 5.178 16.509 1.00 0.00 O ATOM 236 CB LEU A 15 108.864 7.838 15.102 1.00 0.00 C ATOM 237 CG LEU A 15 109.429 8.443 13.816 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.145 9.945 13.791 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.941 8.212 13.765 1.00 0.00 C ATOM 0 H LEU A 15 107.022 6.499 13.973 1.00 0.00 H new ATOM 0 HA LEU A 15 109.878 5.924 14.774 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.844 8.187 15.262 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.452 8.167 15.959 1.00 0.00 H new ATOM 0 HG LEU A 15 108.958 7.969 12.955 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.548 10.376 12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.069 10.112 13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.616 10.419 14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.344 8.643 12.849 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.411 8.687 14.627 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.146 7.142 13.784 1.00 0.00 H new ATOM 251 N ASN A 16 109.382 5.715 17.309 1.00 0.00 N ATOM 252 CA ASN A 16 109.114 5.078 18.648 1.00 0.00 C ATOM 253 C ASN A 16 107.874 5.682 19.326 1.00 0.00 C ATOM 254 O ASN A 16 107.272 5.069 20.188 1.00 0.00 O ATOM 255 CB ASN A 16 110.373 5.356 19.491 1.00 0.00 C ATOM 256 CG ASN A 16 110.621 6.867 19.605 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.783 7.597 20.096 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.746 7.365 19.170 1.00 0.00 N ATOM 0 H ASN A 16 110.296 6.159 17.225 1.00 0.00 H new ATOM 0 HA ASN A 16 108.912 4.012 18.541 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.255 4.925 20.485 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.237 4.873 19.035 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.922 8.367 19.242 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.449 6.752 18.758 1.00 0.00 H new ATOM 265 N ASN A 17 107.492 6.877 18.941 1.00 0.00 N ATOM 266 CA ASN A 17 106.357 7.573 19.628 1.00 0.00 C ATOM 267 C ASN A 17 105.028 7.301 18.900 1.00 0.00 C ATOM 268 O ASN A 17 104.100 8.083 18.991 1.00 0.00 O ATOM 269 CB ASN A 17 106.715 9.070 19.585 1.00 0.00 C ATOM 270 CG ASN A 17 106.800 9.573 18.135 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.854 8.792 17.204 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.815 10.858 17.906 1.00 0.00 N ATOM 0 H ASN A 17 107.919 7.402 18.178 1.00 0.00 H new ATOM 0 HA ASN A 17 106.222 7.220 20.650 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.964 9.643 20.129 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.668 9.235 20.088 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.872 11.205 16.948 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.770 11.515 18.685 1.00 0.00 H new ATOM 279 N ASP A 18 104.936 6.202 18.174 1.00 0.00 N ATOM 280 CA ASP A 18 103.654 5.819 17.485 1.00 0.00 C ATOM 281 C ASP A 18 103.217 6.915 16.501 1.00 0.00 C ATOM 282 O ASP A 18 102.047 7.052 16.199 1.00 0.00 O ATOM 283 CB ASP A 18 102.603 5.635 18.592 1.00 0.00 C ATOM 284 CG ASP A 18 103.021 4.487 19.517 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.484 3.479 19.009 1.00 0.00 O ATOM 286 OD2 ASP A 18 102.869 4.637 20.718 1.00 0.00 O ATOM 0 H ASP A 18 105.705 5.548 18.029 1.00 0.00 H new ATOM 0 HA ASP A 18 103.779 4.904 16.906 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.499 6.557 19.165 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.629 5.423 18.150 1.00 0.00 H new ATOM 291 N SER A 19 104.153 7.694 16.005 1.00 0.00 N ATOM 292 CA SER A 19 103.837 8.639 14.892 1.00 0.00 C ATOM 293 C SER A 19 104.249 8.008 13.562 1.00 0.00 C ATOM 294 O SER A 19 105.012 7.060 13.532 1.00 0.00 O ATOM 295 CB SER A 19 104.670 9.887 15.179 1.00 0.00 C ATOM 296 OG SER A 19 104.256 10.456 16.414 1.00 0.00 O ATOM 0 H SER A 19 105.121 7.713 16.326 1.00 0.00 H new ATOM 0 HA SER A 19 102.775 8.875 14.827 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.728 9.630 15.221 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.550 10.611 14.373 1.00 0.00 H new ATOM 0 HG SER A 19 104.673 11.336 16.525 1.00 0.00 H new ATOM 302 N LYS A 20 103.752 8.524 12.465 1.00 0.00 N ATOM 303 CA LYS A 20 104.060 7.903 11.140 1.00 0.00 C ATOM 304 C LYS A 20 104.168 8.980 10.056 1.00 0.00 C ATOM 305 O LYS A 20 103.380 9.907 10.009 1.00 0.00 O ATOM 306 CB LYS A 20 102.894 6.941 10.859 1.00 0.00 C ATOM 307 CG LYS A 20 101.564 7.706 10.783 1.00 0.00 C ATOM 308 CD LYS A 20 100.402 6.741 11.028 1.00 0.00 C ATOM 309 CE LYS A 20 100.270 5.776 9.845 1.00 0.00 C ATOM 310 NZ LYS A 20 98.830 5.395 9.818 1.00 0.00 N ATOM 0 H LYS A 20 103.148 9.345 12.430 1.00 0.00 H new ATOM 0 HA LYS A 20 105.015 7.377 11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.070 6.413 9.922 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.841 6.187 11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.549 8.505 11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.459 8.177 9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.570 6.182 11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 20 99.475 7.299 11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 20 100.570 6.252 8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.907 4.902 9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 98.660 4.734 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.575 4.938 10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 98.248 6.247 9.685 1.00 0.00 H new ATOM 324 N ALA A 21 105.141 8.858 9.187 1.00 0.00 N ATOM 325 CA ALA A 21 105.315 9.866 8.095 1.00 0.00 C ATOM 326 C ALA A 21 106.003 9.226 6.886 1.00 0.00 C ATOM 327 O ALA A 21 106.620 8.183 6.998 1.00 0.00 O ATOM 328 CB ALA A 21 106.194 10.961 8.699 1.00 0.00 C ATOM 0 H ALA A 21 105.825 8.101 9.187 1.00 0.00 H new ATOM 0 HA ALA A 21 104.362 10.260 7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 21 106.367 11.740 7.956 1.00 0.00 H new ATOM 0 HB2 ALA A 21 105.694 11.392 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.149 10.533 9.006 1.00 0.00 H new ATOM 334 N ARG A 22 105.900 9.846 5.734 1.00 0.00 N ATOM 335 CA ARG A 22 106.541 9.278 4.508 1.00 0.00 C ATOM 336 C ARG A 22 107.122 10.391 3.634 1.00 0.00 C ATOM 337 O ARG A 22 106.593 11.484 3.579 1.00 0.00 O ATOM 338 CB ARG A 22 105.423 8.522 3.772 1.00 0.00 C ATOM 339 CG ARG A 22 104.280 9.481 3.402 1.00 0.00 C ATOM 340 CD ARG A 22 103.065 8.675 2.931 1.00 0.00 C ATOM 341 NE ARG A 22 102.046 9.695 2.521 1.00 0.00 N ATOM 342 CZ ARG A 22 100.774 9.376 2.376 1.00 0.00 C ATOM 343 NH1 ARG A 22 100.342 8.151 2.577 1.00 0.00 N ATOM 344 NH2 ARG A 22 99.923 10.300 2.022 1.00 0.00 N ATOM 0 H ARG A 22 105.398 10.723 5.591 1.00 0.00 H new ATOM 0 HA ARG A 22 107.373 8.618 4.755 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.822 8.057 2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.042 7.719 4.403 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.012 10.093 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.604 10.163 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.325 8.023 2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.684 8.037 3.728 1.00 0.00 H new ATOM 0 HE ARG A 22 102.342 10.656 2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 22 100.996 7.418 2.853 1.00 0.00 H new ATOM 0 HH12 ARG A 22 99.353 7.933 2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.244 11.255 1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 22 98.937 10.068 1.906 1.00 0.00 H new ATOM 358 N GLY A 23 108.207 10.109 2.956 1.00 0.00 N ATOM 359 CA GLY A 23 108.900 11.164 2.156 1.00 0.00 C ATOM 360 C GLY A 23 109.998 10.505 1.319 1.00 0.00 C ATOM 361 O GLY A 23 110.290 9.335 1.487 1.00 0.00 O ATOM 0 H GLY A 23 108.644 9.188 2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.188 11.676 1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.329 11.917 2.816 1.00 0.00 H new ATOM 365 N VAL A 24 110.607 11.239 0.420 1.00 0.00 N ATOM 366 CA VAL A 24 111.617 10.621 -0.496 1.00 0.00 C ATOM 367 C VAL A 24 113.017 10.811 0.091 1.00 0.00 C ATOM 368 O VAL A 24 113.457 11.920 0.310 1.00 0.00 O ATOM 369 CB VAL A 24 111.490 11.385 -1.827 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.404 10.740 -2.878 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.032 11.349 -2.326 1.00 0.00 C ATOM 0 H VAL A 24 110.449 12.237 0.281 1.00 0.00 H new ATOM 0 HA VAL A 24 111.454 9.552 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 24 111.786 12.422 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.314 11.281 -3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.438 10.779 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.110 9.701 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.956 11.893 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.725 10.314 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.382 11.814 -1.585 1.00 0.00 H new ATOM 381 N ILE A 25 113.717 9.734 0.343 1.00 0.00 N ATOM 382 CA ILE A 25 115.019 9.833 1.084 1.00 0.00 C ATOM 383 C ILE A 25 116.044 10.633 0.266 1.00 0.00 C ATOM 384 O ILE A 25 116.090 10.545 -0.944 1.00 0.00 O ATOM 385 CB ILE A 25 115.490 8.381 1.288 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.470 7.626 2.149 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.854 8.359 1.992 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.763 6.124 2.095 1.00 0.00 C ATOM 0 H ILE A 25 113.446 8.789 0.069 1.00 0.00 H new ATOM 0 HA ILE A 25 114.906 10.353 2.036 1.00 0.00 H new ATOM 0 HB ILE A 25 115.581 7.902 0.313 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.517 7.979 3.179 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.460 7.823 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.176 7.327 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.586 8.889 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.770 8.846 2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.037 5.589 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.694 5.777 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.767 5.935 2.475 1.00 0.00 H new ATOM 400 N THR A 26 116.860 11.415 0.934 1.00 0.00 N ATOM 401 CA THR A 26 117.897 12.217 0.220 1.00 0.00 C ATOM 402 C THR A 26 119.305 11.870 0.714 1.00 0.00 C ATOM 403 O THR A 26 120.261 11.994 -0.030 1.00 0.00 O ATOM 404 CB THR A 26 117.570 13.680 0.521 1.00 0.00 C ATOM 405 OG1 THR A 26 117.222 13.825 1.891 1.00 0.00 O ATOM 406 CG2 THR A 26 116.403 14.130 -0.356 1.00 0.00 C ATOM 0 H THR A 26 116.850 11.530 1.947 1.00 0.00 H new ATOM 0 HA THR A 26 117.886 12.010 -0.850 1.00 0.00 H new ATOM 0 HB THR A 26 118.444 14.296 0.309 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.719 14.657 2.015 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.169 15.173 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.676 14.027 -1.406 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.530 13.512 -0.146 1.00 0.00 H new ATOM 414 N ASN A 27 119.459 11.436 1.953 1.00 0.00 N ATOM 415 CA ASN A 27 120.843 11.142 2.452 1.00 0.00 C ATOM 416 C ASN A 27 120.824 10.248 3.696 1.00 0.00 C ATOM 417 O ASN A 27 119.827 10.127 4.378 1.00 0.00 O ATOM 418 CB ASN A 27 121.444 12.509 2.790 1.00 0.00 C ATOM 419 CG ASN A 27 122.961 12.473 2.587 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.451 11.814 1.691 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.730 13.161 3.386 1.00 0.00 N ATOM 0 H ASN A 27 118.705 11.278 2.621 1.00 0.00 H new ATOM 0 HA ASN A 27 121.423 10.602 1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 27 121.001 13.278 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.212 12.773 3.822 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.742 13.146 3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.319 13.714 4.138 1.00 0.00 H new ATOM 428 N PHE A 28 121.943 9.621 3.976 1.00 0.00 N ATOM 429 CA PHE A 28 122.133 8.901 5.277 1.00 0.00 C ATOM 430 C PHE A 28 123.618 8.931 5.653 1.00 0.00 C ATOM 431 O PHE A 28 124.469 8.531 4.879 1.00 0.00 O ATOM 432 CB PHE A 28 121.659 7.464 5.030 1.00 0.00 C ATOM 433 CG PHE A 28 121.894 6.534 6.202 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.080 6.629 7.358 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.934 5.573 6.145 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.308 5.761 8.455 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.159 4.707 7.242 1.00 0.00 C ATOM 438 CZ PHE A 28 122.345 4.800 8.396 1.00 0.00 C ATOM 0 H PHE A 28 122.745 9.577 3.348 1.00 0.00 H new ATOM 0 HA PHE A 28 121.576 9.358 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.594 7.477 4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.173 7.067 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.287 7.361 7.403 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.555 5.501 5.264 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.689 5.833 9.337 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.952 3.975 7.198 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.515 4.137 9.232 1.00 0.00 H new ATOM 448 N ASP A 29 123.928 9.401 6.835 1.00 0.00 N ATOM 449 CA ASP A 29 125.356 9.515 7.253 1.00 0.00 C ATOM 450 C ASP A 29 125.711 8.330 8.142 1.00 0.00 C ATOM 451 O ASP A 29 125.020 8.051 9.096 1.00 0.00 O ATOM 452 CB ASP A 29 125.434 10.824 8.042 1.00 0.00 C ATOM 453 CG ASP A 29 126.899 11.151 8.346 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.379 10.722 9.382 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.514 11.826 7.536 1.00 0.00 O ATOM 0 H ASP A 29 123.250 9.712 7.530 1.00 0.00 H new ATOM 0 HA ASP A 29 126.048 9.514 6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 29 124.981 11.633 7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.870 10.735 8.970 1.00 0.00 H new ATOM 460 N SER A 30 126.778 7.634 7.837 1.00 0.00 N ATOM 461 CA SER A 30 127.120 6.402 8.620 1.00 0.00 C ATOM 462 C SER A 30 127.491 6.763 10.061 1.00 0.00 C ATOM 463 O SER A 30 127.025 6.145 11.001 1.00 0.00 O ATOM 464 CB SER A 30 128.318 5.779 7.899 1.00 0.00 C ATOM 465 OG SER A 30 127.987 5.574 6.532 1.00 0.00 O ATOM 0 H SER A 30 127.426 7.863 7.083 1.00 0.00 H new ATOM 0 HA SER A 30 126.277 5.714 8.675 1.00 0.00 H new ATOM 0 HB2 SER A 30 129.187 6.432 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.586 4.832 8.366 1.00 0.00 H new ATOM 0 HG SER A 30 128.752 5.177 6.066 1.00 0.00 H new ATOM 471 N SER A 31 128.322 7.761 10.242 1.00 0.00 N ATOM 472 CA SER A 31 128.837 8.087 11.616 1.00 0.00 C ATOM 473 C SER A 31 127.681 8.388 12.578 1.00 0.00 C ATOM 474 O SER A 31 127.631 7.869 13.678 1.00 0.00 O ATOM 475 CB SER A 31 129.714 9.329 11.437 1.00 0.00 C ATOM 476 OG SER A 31 130.423 9.580 12.643 1.00 0.00 O ATOM 0 H SER A 31 128.668 8.367 9.498 1.00 0.00 H new ATOM 0 HA SER A 31 129.391 7.251 12.043 1.00 0.00 H new ATOM 0 HB2 SER A 31 130.414 9.179 10.615 1.00 0.00 H new ATOM 0 HB3 SER A 31 129.097 10.190 11.178 1.00 0.00 H new ATOM 0 HG SER A 31 130.987 10.374 12.532 1.00 0.00 H new ATOM 482 N ASN A 32 126.756 9.222 12.169 1.00 0.00 N ATOM 483 CA ASN A 32 125.616 9.589 13.067 1.00 0.00 C ATOM 484 C ASN A 32 124.314 8.881 12.650 1.00 0.00 C ATOM 485 O ASN A 32 123.311 8.988 13.332 1.00 0.00 O ATOM 486 CB ASN A 32 125.468 11.103 12.911 1.00 0.00 C ATOM 487 CG ASN A 32 126.706 11.804 13.477 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.245 11.391 14.484 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.183 12.854 12.866 1.00 0.00 N ATOM 0 H ASN A 32 126.741 9.665 11.250 1.00 0.00 H new ATOM 0 HA ASN A 32 125.807 9.287 14.097 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.342 11.359 11.859 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.574 11.446 13.432 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.008 13.327 13.234 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.731 13.201 12.020 1.00 0.00 H new ATOM 496 N SER A 33 124.314 8.158 11.543 1.00 0.00 N ATOM 497 CA SER A 33 123.043 7.545 11.013 1.00 0.00 C ATOM 498 C SER A 33 121.915 8.588 10.949 1.00 0.00 C ATOM 499 O SER A 33 120.937 8.509 11.672 1.00 0.00 O ATOM 500 CB SER A 33 122.697 6.415 11.990 1.00 0.00 C ATOM 501 OG SER A 33 123.734 5.443 11.969 1.00 0.00 O ATOM 0 H SER A 33 125.145 7.967 10.983 1.00 0.00 H new ATOM 0 HA SER A 33 123.168 7.172 9.997 1.00 0.00 H new ATOM 0 HB2 SER A 33 122.577 6.814 12.997 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.748 5.957 11.713 1.00 0.00 H new ATOM 0 HG SER A 33 123.517 4.720 12.594 1.00 0.00 H new ATOM 507 N ILE A 34 122.054 9.563 10.083 1.00 0.00 N ATOM 508 CA ILE A 34 121.056 10.681 10.036 1.00 0.00 C ATOM 509 C ILE A 34 120.422 10.735 8.646 1.00 0.00 C ATOM 510 O ILE A 34 121.112 10.810 7.649 1.00 0.00 O ATOM 511 CB ILE A 34 121.857 11.964 10.322 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.621 11.839 11.660 1.00 0.00 C ATOM 513 CG2 ILE A 34 120.906 13.169 10.381 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.654 11.672 12.846 1.00 0.00 C ATOM 0 H ILE A 34 122.814 9.634 9.407 1.00 0.00 H new ATOM 0 HA ILE A 34 120.250 10.552 10.759 1.00 0.00 H new ATOM 0 HB ILE A 34 122.579 12.109 9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.297 10.985 11.616 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.237 12.725 11.813 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.478 14.074 10.584 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.390 13.272 9.427 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.175 13.017 11.175 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.224 11.587 13.771 1.00 0.00 H new ATOM 0 HD12 ILE A 34 120.996 12.539 12.904 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.056 10.772 12.704 1.00 0.00 H new ATOM 526 N LEU A 35 119.115 10.706 8.577 1.00 0.00 N ATOM 527 CA LEU A 35 118.433 10.510 7.262 1.00 0.00 C ATOM 528 C LEU A 35 117.617 11.747 6.893 1.00 0.00 C ATOM 529 O LEU A 35 116.717 12.145 7.608 1.00 0.00 O ATOM 530 CB LEU A 35 117.512 9.308 7.479 1.00 0.00 C ATOM 531 CG LEU A 35 116.930 8.857 6.138 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.947 7.973 5.414 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.647 8.061 6.382 1.00 0.00 C ATOM 0 H LEU A 35 118.490 10.810 9.376 1.00 0.00 H new ATOM 0 HA LEU A 35 119.141 10.348 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.067 8.490 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.708 9.573 8.165 1.00 0.00 H new ATOM 0 HG LEU A 35 116.706 9.731 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.534 7.651 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.863 8.538 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.170 7.099 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.231 7.739 5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.872 7.187 6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.922 8.689 6.900 1.00 0.00 H new ATOM 545 N GLN A 36 117.932 12.352 5.775 1.00 0.00 N ATOM 546 CA GLN A 36 117.111 13.492 5.276 1.00 0.00 C ATOM 547 C GLN A 36 116.014 12.964 4.354 1.00 0.00 C ATOM 548 O GLN A 36 116.268 12.132 3.503 1.00 0.00 O ATOM 549 CB GLN A 36 118.087 14.374 4.496 1.00 0.00 C ATOM 550 CG GLN A 36 119.097 15.001 5.460 1.00 0.00 C ATOM 551 CD GLN A 36 120.082 15.871 4.676 1.00 0.00 C ATOM 552 OE1 GLN A 36 120.473 15.529 3.578 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.502 16.991 5.198 1.00 0.00 N ATOM 0 H GLN A 36 118.726 12.103 5.186 1.00 0.00 H new ATOM 0 HA GLN A 36 116.625 14.043 6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.607 13.781 3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.542 15.155 3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.578 15.603 6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.634 14.220 5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 36 120.174 17.279 6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.158 17.579 4.684 1.00 0.00 H new ATOM 562 N LEU A 37 114.802 13.436 4.520 1.00 0.00 N ATOM 563 CA LEU A 37 113.706 13.060 3.574 1.00 0.00 C ATOM 564 C LEU A 37 113.182 14.309 2.860 1.00 0.00 C ATOM 565 O LEU A 37 112.765 15.262 3.492 1.00 0.00 O ATOM 566 CB LEU A 37 112.594 12.453 4.446 1.00 0.00 C ATOM 567 CG LEU A 37 113.106 11.224 5.213 1.00 0.00 C ATOM 568 CD1 LEU A 37 111.982 10.683 6.102 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.544 10.129 4.228 1.00 0.00 C ATOM 0 H LEU A 37 114.525 14.067 5.272 1.00 0.00 H new ATOM 0 HA LEU A 37 114.052 12.361 2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.230 13.201 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.749 12.169 3.819 1.00 0.00 H new ATOM 0 HG LEU A 37 113.960 11.515 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.339 9.810 6.649 1.00 0.00 H new ATOM 0 HD12 LEU A 37 111.674 11.454 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.132 10.399 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.905 9.263 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.696 9.836 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 37 114.342 10.510 3.592 1.00 0.00 H new ATOM 581 N ARG A 38 113.202 14.308 1.551 1.00 0.00 N ATOM 582 CA ARG A 38 112.610 15.448 0.785 1.00 0.00 C ATOM 583 C ARG A 38 111.181 15.100 0.357 1.00 0.00 C ATOM 584 O ARG A 38 110.972 14.273 -0.513 1.00 0.00 O ATOM 585 CB ARG A 38 113.516 15.621 -0.437 1.00 0.00 C ATOM 586 CG ARG A 38 113.061 16.835 -1.255 1.00 0.00 C ATOM 587 CD ARG A 38 113.920 16.951 -2.517 1.00 0.00 C ATOM 588 NE ARG A 38 113.478 18.222 -3.172 1.00 0.00 N ATOM 589 CZ ARG A 38 113.854 19.403 -2.717 1.00 0.00 C ATOM 590 NH1 ARG A 38 114.620 19.521 -1.656 1.00 0.00 N ATOM 591 NH2 ARG A 38 113.451 20.480 -3.334 1.00 0.00 N ATOM 0 H ARG A 38 113.603 13.566 0.978 1.00 0.00 H new ATOM 0 HA ARG A 38 112.553 16.363 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.550 15.753 -0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.485 14.723 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 38 112.010 16.731 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 38 113.148 17.743 -0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.981 16.983 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.771 16.095 -3.176 1.00 0.00 H new ATOM 0 HE ARG A 38 112.871 18.175 -3.990 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.939 18.688 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 38 114.895 20.446 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.853 20.403 -4.157 1.00 0.00 H new ATOM 0 HH22 ARG A 38 113.734 21.399 -2.993 1.00 0.00 H new ATOM 605 N LEU A 39 110.204 15.723 0.963 1.00 0.00 N ATOM 606 CA LEU A 39 108.785 15.343 0.692 1.00 0.00 C ATOM 607 C LEU A 39 108.252 16.064 -0.552 1.00 0.00 C ATOM 608 O LEU A 39 108.706 17.140 -0.902 1.00 0.00 O ATOM 609 CB LEU A 39 108.018 15.767 1.952 1.00 0.00 C ATOM 610 CG LEU A 39 106.601 15.163 1.969 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.656 13.642 1.796 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.955 15.468 3.317 1.00 0.00 C ATOM 0 H LEU A 39 110.328 16.480 1.635 1.00 0.00 H new ATOM 0 HA LEU A 39 108.676 14.278 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.564 15.446 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.954 16.854 1.994 1.00 0.00 H new ATOM 0 HG LEU A 39 106.027 15.595 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.644 13.237 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 39 107.129 13.401 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 39 107.234 13.204 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.950 15.046 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 39 106.554 15.029 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.899 16.547 3.458 1.00 0.00 H new ATOM 624 N ALA A 40 107.284 15.470 -1.211 1.00 0.00 N ATOM 625 CA ALA A 40 106.814 15.993 -2.539 1.00 0.00 C ATOM 626 C ALA A 40 106.204 17.400 -2.419 1.00 0.00 C ATOM 627 O ALA A 40 105.936 18.040 -3.419 1.00 0.00 O ATOM 628 CB ALA A 40 105.751 14.998 -3.011 1.00 0.00 C ATOM 0 H ALA A 40 106.794 14.637 -0.884 1.00 0.00 H new ATOM 0 HA ALA A 40 107.646 16.082 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.360 15.315 -3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.196 14.008 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 40 104.938 14.962 -2.285 1.00 0.00 H new ATOM 634 N ASN A 41 105.982 17.890 -1.219 1.00 0.00 N ATOM 635 CA ASN A 41 105.480 19.292 -1.056 1.00 0.00 C ATOM 636 C ASN A 41 106.647 20.297 -1.037 1.00 0.00 C ATOM 637 O ASN A 41 106.541 21.355 -0.444 1.00 0.00 O ATOM 638 CB ASN A 41 104.746 19.301 0.288 1.00 0.00 C ATOM 639 CG ASN A 41 103.491 18.430 0.192 1.00 0.00 C ATOM 640 OD1 ASN A 41 103.288 17.547 1.000 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.634 18.644 -0.769 1.00 0.00 N ATOM 0 H ASN A 41 106.127 17.379 -0.348 1.00 0.00 H new ATOM 0 HA ASN A 41 104.832 19.585 -1.882 1.00 0.00 H new ATOM 0 HB2 ASN A 41 105.401 18.927 1.075 1.00 0.00 H new ATOM 0 HB3 ASN A 41 104.473 20.321 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 41 101.794 18.069 -0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 41 102.804 19.386 -1.448 1.00 0.00 H new ATOM 648 N ASP A 42 107.765 19.983 -1.679 1.00 0.00 N ATOM 649 CA ASP A 42 108.904 20.959 -1.785 1.00 0.00 C ATOM 650 C ASP A 42 109.463 21.289 -0.395 1.00 0.00 C ATOM 651 O ASP A 42 109.973 22.372 -0.172 1.00 0.00 O ATOM 652 CB ASP A 42 108.320 22.222 -2.439 1.00 0.00 C ATOM 653 CG ASP A 42 109.453 23.056 -3.042 1.00 0.00 C ATOM 654 OD1 ASP A 42 110.320 22.475 -3.675 1.00 0.00 O ATOM 655 OD2 ASP A 42 109.434 24.262 -2.860 1.00 0.00 O ATOM 0 H ASP A 42 107.931 19.085 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 42 109.726 20.547 -2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 42 107.605 21.946 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 42 107.776 22.809 -1.699 1.00 0.00 H new ATOM 660 N SER A 43 109.372 20.367 0.544 1.00 0.00 N ATOM 661 CA SER A 43 109.893 20.645 1.919 1.00 0.00 C ATOM 662 C SER A 43 110.933 19.595 2.318 1.00 0.00 C ATOM 663 O SER A 43 110.763 18.416 2.070 1.00 0.00 O ATOM 664 CB SER A 43 108.669 20.558 2.830 1.00 0.00 C ATOM 665 OG SER A 43 107.724 21.547 2.441 1.00 0.00 O ATOM 0 H SER A 43 108.962 19.442 0.414 1.00 0.00 H new ATOM 0 HA SER A 43 110.384 21.616 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 43 108.222 19.566 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.963 20.708 3.869 1.00 0.00 H new ATOM 0 HG SER A 43 107.326 21.299 1.580 1.00 0.00 H new ATOM 671 N THR A 44 112.009 20.022 2.932 1.00 0.00 N ATOM 672 CA THR A 44 113.040 19.055 3.420 1.00 0.00 C ATOM 673 C THR A 44 112.833 18.765 4.912 1.00 0.00 C ATOM 674 O THR A 44 112.337 19.600 5.648 1.00 0.00 O ATOM 675 CB THR A 44 114.396 19.744 3.176 1.00 0.00 C ATOM 676 OG1 THR A 44 115.440 18.873 3.585 1.00 0.00 O ATOM 677 CG2 THR A 44 114.497 21.062 3.963 1.00 0.00 C ATOM 0 H THR A 44 112.218 21.003 3.117 1.00 0.00 H new ATOM 0 HA THR A 44 112.981 18.097 2.903 1.00 0.00 H new ATOM 0 HB THR A 44 114.484 19.970 2.113 1.00 0.00 H new ATOM 0 HG1 THR A 44 116.306 19.305 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.464 21.527 3.772 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.702 21.737 3.647 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.397 20.858 5.029 1.00 0.00 H new ATOM 685 N LYS A 45 113.209 17.592 5.357 1.00 0.00 N ATOM 686 CA LYS A 45 113.082 17.259 6.810 1.00 0.00 C ATOM 687 C LYS A 45 114.185 16.283 7.227 1.00 0.00 C ATOM 688 O LYS A 45 114.274 15.182 6.716 1.00 0.00 O ATOM 689 CB LYS A 45 111.703 16.611 6.949 1.00 0.00 C ATOM 690 CG LYS A 45 111.374 16.418 8.431 1.00 0.00 C ATOM 691 CD LYS A 45 110.012 15.733 8.568 1.00 0.00 C ATOM 692 CE LYS A 45 109.605 15.691 10.043 1.00 0.00 C ATOM 693 NZ LYS A 45 108.116 15.681 10.031 1.00 0.00 N ATOM 0 H LYS A 45 113.599 16.850 4.776 1.00 0.00 H new ATOM 0 HA LYS A 45 113.182 18.138 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 110.946 17.237 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.688 15.650 6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.146 15.815 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.361 17.382 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.262 16.272 7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.060 14.722 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 45 110.002 14.804 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.990 16.556 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 107.761 15.653 11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.767 16.540 9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 107.779 14.843 9.516 1.00 0.00 H new ATOM 707 N SER A 46 115.023 16.681 8.154 1.00 0.00 N ATOM 708 CA SER A 46 116.129 15.785 8.611 1.00 0.00 C ATOM 709 C SER A 46 115.705 15.015 9.865 1.00 0.00 C ATOM 710 O SER A 46 115.323 15.601 10.862 1.00 0.00 O ATOM 711 CB SER A 46 117.294 16.723 8.926 1.00 0.00 C ATOM 712 OG SER A 46 116.964 17.519 10.057 1.00 0.00 O ATOM 0 H SER A 46 114.987 17.591 8.614 1.00 0.00 H new ATOM 0 HA SER A 46 116.395 15.042 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.197 16.146 9.124 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.505 17.360 8.067 1.00 0.00 H new ATOM 0 HG SER A 46 116.242 17.089 10.560 1.00 0.00 H new ATOM 718 N ILE A 47 115.771 13.706 9.818 1.00 0.00 N ATOM 719 CA ILE A 47 115.398 12.882 11.010 1.00 0.00 C ATOM 720 C ILE A 47 116.519 11.879 11.306 1.00 0.00 C ATOM 721 O ILE A 47 117.033 11.235 10.410 1.00 0.00 O ATOM 722 CB ILE A 47 114.097 12.157 10.621 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.007 13.187 10.289 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.619 11.286 11.789 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.818 12.482 9.630 1.00 0.00 C ATOM 0 H ILE A 47 116.068 13.171 9.002 1.00 0.00 H new ATOM 0 HA ILE A 47 115.256 13.484 11.907 1.00 0.00 H new ATOM 0 HB ILE A 47 114.289 11.531 9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.684 13.695 11.198 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.406 13.951 9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.698 10.775 11.509 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.384 10.548 12.030 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.434 11.915 12.660 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.045 13.214 9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.147 11.995 8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.414 11.735 10.313 1.00 0.00 H new ATOM 737 N VAL A 48 116.897 11.744 12.553 1.00 0.00 N ATOM 738 CA VAL A 48 117.976 10.770 12.910 1.00 0.00 C ATOM 739 C VAL A 48 117.368 9.364 13.043 1.00 0.00 C ATOM 740 O VAL A 48 116.408 9.161 13.758 1.00 0.00 O ATOM 741 CB VAL A 48 118.543 11.269 14.253 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.664 10.335 14.732 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.093 12.699 14.090 1.00 0.00 C ATOM 0 H VAL A 48 116.506 12.265 13.338 1.00 0.00 H new ATOM 0 HA VAL A 48 118.760 10.707 12.156 1.00 0.00 H new ATOM 0 HB VAL A 48 117.743 11.273 14.993 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.058 10.697 15.682 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.267 9.328 14.863 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.463 10.316 13.991 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.492 13.046 15.043 1.00 0.00 H new ATOM 0 HG22 VAL A 48 119.886 12.701 13.342 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.290 13.363 13.770 1.00 0.00 H new ATOM 753 N THR A 49 117.929 8.397 12.356 1.00 0.00 N ATOM 754 CA THR A 49 117.275 7.044 12.241 1.00 0.00 C ATOM 755 C THR A 49 117.043 6.403 13.612 1.00 0.00 C ATOM 756 O THR A 49 116.168 5.572 13.770 1.00 0.00 O ATOM 757 CB THR A 49 118.247 6.182 11.423 1.00 0.00 C ATOM 758 OG1 THR A 49 119.500 6.103 12.095 1.00 0.00 O ATOM 759 CG2 THR A 49 118.439 6.793 10.029 1.00 0.00 C ATOM 0 H THR A 49 118.819 8.483 11.865 1.00 0.00 H new ATOM 0 HA THR A 49 116.295 7.132 11.771 1.00 0.00 H new ATOM 0 HB THR A 49 117.834 5.179 11.316 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.015 6.919 11.924 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.130 6.177 9.454 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.478 6.837 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.845 7.800 10.126 1.00 0.00 H new ATOM 767 N LYS A 50 117.817 6.776 14.599 1.00 0.00 N ATOM 768 CA LYS A 50 117.685 6.138 15.952 1.00 0.00 C ATOM 769 C LYS A 50 116.255 6.274 16.491 1.00 0.00 C ATOM 770 O LYS A 50 115.829 5.498 17.327 1.00 0.00 O ATOM 771 CB LYS A 50 118.676 6.888 16.854 1.00 0.00 C ATOM 772 CG LYS A 50 118.758 6.207 18.226 1.00 0.00 C ATOM 773 CD LYS A 50 119.448 7.144 19.219 1.00 0.00 C ATOM 774 CE LYS A 50 119.609 6.434 20.565 1.00 0.00 C ATOM 775 NZ LYS A 50 119.720 7.530 21.566 1.00 0.00 N ATOM 0 H LYS A 50 118.537 7.495 14.530 1.00 0.00 H new ATOM 0 HA LYS A 50 117.897 5.070 15.912 1.00 0.00 H new ATOM 0 HB2 LYS A 50 119.662 6.906 16.389 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.360 7.925 16.972 1.00 0.00 H new ATOM 0 HG2 LYS A 50 117.758 5.957 18.580 1.00 0.00 H new ATOM 0 HG3 LYS A 50 119.312 5.271 18.147 1.00 0.00 H new ATOM 0 HD2 LYS A 50 120.423 7.443 18.835 1.00 0.00 H new ATOM 0 HD3 LYS A 50 118.861 8.054 19.344 1.00 0.00 H new ATOM 0 HE2 LYS A 50 118.755 5.791 20.777 1.00 0.00 H new ATOM 0 HE3 LYS A 50 120.496 5.800 20.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 119.833 7.122 22.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 120.545 8.122 21.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 118.859 8.113 21.540 1.00 0.00 H new ATOM 789 N ASP A 51 115.512 7.248 16.020 1.00 0.00 N ATOM 790 CA ASP A 51 114.086 7.376 16.460 1.00 0.00 C ATOM 791 C ASP A 51 113.159 6.466 15.628 1.00 0.00 C ATOM 792 O ASP A 51 111.959 6.459 15.832 1.00 0.00 O ATOM 793 CB ASP A 51 113.719 8.860 16.274 1.00 0.00 C ATOM 794 CG ASP A 51 113.850 9.299 14.803 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.980 8.443 13.942 1.00 0.00 O ATOM 796 OD2 ASP A 51 113.818 10.495 14.566 1.00 0.00 O ATOM 0 H ASP A 51 115.828 7.954 15.355 1.00 0.00 H new ATOM 0 HA ASP A 51 113.963 7.063 17.497 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.697 9.028 16.614 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.367 9.476 16.897 1.00 0.00 H new ATOM 801 N ILE A 52 113.698 5.700 14.699 1.00 0.00 N ATOM 802 CA ILE A 52 112.828 4.787 13.886 1.00 0.00 C ATOM 803 C ILE A 52 112.429 3.562 14.718 1.00 0.00 C ATOM 804 O ILE A 52 113.267 2.885 15.284 1.00 0.00 O ATOM 805 CB ILE A 52 113.675 4.365 12.672 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.033 5.602 11.837 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.879 3.385 11.797 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.035 5.213 10.744 1.00 0.00 C ATOM 0 H ILE A 52 114.692 5.670 14.473 1.00 0.00 H new ATOM 0 HA ILE A 52 111.907 5.279 13.573 1.00 0.00 H new ATOM 0 HB ILE A 52 114.586 3.883 13.026 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.134 6.022 11.387 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.460 6.374 12.477 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.483 3.090 10.939 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.622 2.501 12.381 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.966 3.868 11.449 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.288 6.093 10.152 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.939 4.813 11.204 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.592 4.456 10.097 1.00 0.00 H new ATOM 820 N LYS A 53 111.152 3.283 14.789 1.00 0.00 N ATOM 821 CA LYS A 53 110.690 1.986 15.371 1.00 0.00 C ATOM 822 C LYS A 53 110.540 0.946 14.255 1.00 0.00 C ATOM 823 O LYS A 53 110.730 -0.235 14.475 1.00 0.00 O ATOM 824 CB LYS A 53 109.334 2.289 16.015 1.00 0.00 C ATOM 825 CG LYS A 53 108.853 1.066 16.799 1.00 0.00 C ATOM 826 CD LYS A 53 109.657 0.940 18.094 1.00 0.00 C ATOM 827 CE LYS A 53 109.104 -0.218 18.929 1.00 0.00 C ATOM 828 NZ LYS A 53 109.693 -0.031 20.284 1.00 0.00 N ATOM 0 H LYS A 53 110.406 3.900 14.468 1.00 0.00 H new ATOM 0 HA LYS A 53 111.394 1.582 16.099 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.420 3.149 16.679 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.606 2.551 15.247 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.791 1.161 17.026 1.00 0.00 H new ATOM 0 HG3 LYS A 53 108.971 0.165 16.196 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.709 0.768 17.866 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.602 1.870 18.661 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.015 -0.194 18.965 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.387 -1.181 18.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 109.360 -0.788 20.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 110.730 -0.065 20.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 109.400 0.891 20.665 1.00 0.00 H new ATOM 842 N ASP A 54 110.205 1.385 13.061 1.00 0.00 N ATOM 843 CA ASP A 54 110.006 0.432 11.921 1.00 0.00 C ATOM 844 C ASP A 54 110.022 1.197 10.593 1.00 0.00 C ATOM 845 O ASP A 54 109.805 2.394 10.555 1.00 0.00 O ATOM 846 CB ASP A 54 108.632 -0.209 12.151 1.00 0.00 C ATOM 847 CG ASP A 54 108.776 -1.480 12.993 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.724 -2.215 12.766 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.936 -1.696 13.850 1.00 0.00 O ATOM 0 H ASP A 54 110.061 2.367 12.828 1.00 0.00 H new ATOM 0 HA ASP A 54 110.795 -0.319 11.875 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.973 0.497 12.655 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.169 -0.449 11.194 1.00 0.00 H new ATOM 854 N LEU A 55 110.277 0.507 9.505 1.00 0.00 N ATOM 855 CA LEU A 55 110.328 1.181 8.170 1.00 0.00 C ATOM 856 C LEU A 55 109.519 0.386 7.141 1.00 0.00 C ATOM 857 O LEU A 55 109.415 -0.825 7.224 1.00 0.00 O ATOM 858 CB LEU A 55 111.809 1.192 7.786 1.00 0.00 C ATOM 859 CG LEU A 55 112.581 2.124 8.722 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.083 1.906 8.532 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.234 3.577 8.392 1.00 0.00 C ATOM 0 H LEU A 55 110.452 -0.498 9.486 1.00 0.00 H new ATOM 0 HA LEU A 55 109.905 2.185 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.217 0.183 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.924 1.522 6.754 1.00 0.00 H new ATOM 0 HG LEU A 55 112.309 1.909 9.755 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.634 2.570 9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.332 0.870 8.763 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.354 2.122 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.783 4.243 9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.508 3.791 7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.163 3.734 8.524 1.00 0.00 H new ATOM 873 N ARG A 56 108.949 1.062 6.173 1.00 0.00 N ATOM 874 CA ARG A 56 108.208 0.352 5.085 1.00 0.00 C ATOM 875 C ARG A 56 108.275 1.167 3.787 1.00 0.00 C ATOM 876 O ARG A 56 108.130 2.374 3.805 1.00 0.00 O ATOM 877 CB ARG A 56 106.761 0.239 5.595 1.00 0.00 C ATOM 878 CG ARG A 56 106.091 1.625 5.623 1.00 0.00 C ATOM 879 CD ARG A 56 105.109 1.716 6.796 1.00 0.00 C ATOM 880 NE ARG A 56 104.083 0.648 6.551 1.00 0.00 N ATOM 881 CZ ARG A 56 103.316 0.194 7.523 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.401 0.662 8.748 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.444 -0.742 7.260 1.00 0.00 N ATOM 0 H ARG A 56 108.966 2.078 6.090 1.00 0.00 H new ATOM 0 HA ARG A 56 108.630 -0.628 4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.193 -0.433 4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.754 -0.195 6.595 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.850 2.402 5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.565 1.802 4.685 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.619 1.558 7.746 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.645 2.701 6.843 1.00 0.00 H new ATOM 0 HE ARG A 56 103.977 0.265 5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 56 104.074 1.396 8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.794 0.291 9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.363 -1.112 6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.844 -1.103 8.002 1.00 0.00 H new ATOM 897 N ILE A 57 108.492 0.521 2.670 1.00 0.00 N ATOM 898 CA ILE A 57 108.459 1.253 1.367 1.00 0.00 C ATOM 899 C ILE A 57 107.014 1.349 0.860 1.00 0.00 C ATOM 900 O ILE A 57 106.285 0.374 0.857 1.00 0.00 O ATOM 901 CB ILE A 57 109.317 0.433 0.392 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.733 0.247 0.962 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.410 1.183 -0.941 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.493 -0.784 0.122 1.00 0.00 C ATOM 0 H ILE A 57 108.690 -0.477 2.603 1.00 0.00 H new ATOM 0 HA ILE A 57 108.841 2.269 1.466 1.00 0.00 H new ATOM 0 HB ILE A 57 108.859 -0.545 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.265 1.198 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.678 -0.083 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 57 110.018 0.608 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.410 1.317 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.869 2.158 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.496 -0.915 0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.964 -1.737 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.560 -0.435 -0.909 1.00 0.00 H new ATOM 916 N LEU A 58 106.600 2.518 0.432 1.00 0.00 N ATOM 917 CA LEU A 58 105.207 2.682 -0.089 1.00 0.00 C ATOM 918 C LEU A 58 105.151 2.304 -1.581 1.00 0.00 C ATOM 919 O LEU A 58 105.791 2.948 -2.390 1.00 0.00 O ATOM 920 CB LEU A 58 104.883 4.167 0.091 1.00 0.00 C ATOM 921 CG LEU A 58 104.737 4.483 1.579 1.00 0.00 C ATOM 922 CD1 LEU A 58 104.817 5.996 1.790 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.384 3.969 2.077 1.00 0.00 C ATOM 0 H LEU A 58 107.167 3.366 0.421 1.00 0.00 H new ATOM 0 HA LEU A 58 104.497 2.042 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.674 4.778 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.962 4.415 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 58 105.539 3.997 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.713 6.221 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.780 6.363 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.015 6.484 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.278 4.193 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.583 4.456 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.327 2.891 1.927 1.00 0.00 H new ATOM 1736 N SER B 257 111.669 -4.527 3.016 1.00 0.00 N ATOM 1737 CA SER B 257 111.472 -3.431 4.026 1.00 0.00 C ATOM 1738 C SER B 257 112.117 -3.813 5.362 1.00 0.00 C ATOM 1739 O SER B 257 112.661 -2.978 6.062 1.00 0.00 O ATOM 1740 CB SER B 257 109.955 -3.311 4.194 1.00 0.00 C ATOM 1741 OG SER B 257 109.363 -3.037 2.930 1.00 0.00 O ATOM 0 HA SER B 257 111.928 -2.495 3.704 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.549 -4.235 4.606 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.717 -2.515 4.900 1.00 0.00 H new ATOM 0 HG SER B 257 109.845 -3.525 2.230 1.00 0.00 H new ATOM 1747 N SER B 258 112.054 -5.075 5.709 1.00 0.00 N ATOM 1748 CA SER B 258 112.675 -5.540 6.991 1.00 0.00 C ATOM 1749 C SER B 258 114.202 -5.470 6.897 1.00 0.00 C ATOM 1750 O SER B 258 114.879 -5.217 7.876 1.00 0.00 O ATOM 1751 CB SER B 258 112.215 -6.990 7.164 1.00 0.00 C ATOM 1752 OG SER B 258 112.649 -7.471 8.429 1.00 0.00 O ATOM 0 H SER B 258 111.599 -5.805 5.160 1.00 0.00 H new ATOM 0 HA SER B 258 112.378 -4.919 7.836 1.00 0.00 H new ATOM 0 HB2 SER B 258 111.129 -7.051 7.092 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.623 -7.611 6.366 1.00 0.00 H new ATOM 0 HG SER B 258 112.355 -8.399 8.545 1.00 0.00 H new ATOM 1758 N GLN B 259 114.746 -5.693 5.722 1.00 0.00 N ATOM 1759 CA GLN B 259 116.237 -5.656 5.553 1.00 0.00 C ATOM 1760 C GLN B 259 116.776 -4.253 5.854 1.00 0.00 C ATOM 1761 O GLN B 259 117.832 -4.100 6.442 1.00 0.00 O ATOM 1762 CB GLN B 259 116.490 -6.023 4.088 1.00 0.00 C ATOM 1763 CG GLN B 259 117.987 -6.257 3.870 1.00 0.00 C ATOM 1764 CD GLN B 259 118.248 -6.549 2.391 1.00 0.00 C ATOM 1765 OE1 GLN B 259 118.014 -7.647 1.926 1.00 0.00 O ATOM 1766 NE2 GLN B 259 118.727 -5.606 1.627 1.00 0.00 N ATOM 0 H GLN B 259 114.222 -5.899 4.872 1.00 0.00 H new ATOM 0 HA GLN B 259 116.739 -6.342 6.235 1.00 0.00 H new ATOM 0 HB2 GLN B 259 115.929 -6.920 3.825 1.00 0.00 H new ATOM 0 HB3 GLN B 259 116.138 -5.224 3.436 1.00 0.00 H new ATOM 0 HG2 GLN B 259 118.552 -5.380 4.184 1.00 0.00 H new ATOM 0 HG3 GLN B 259 118.328 -7.092 4.482 1.00 0.00 H new ATOM 0 HE21 GLN B 259 118.924 -4.684 2.017 1.00 0.00 H new ATOM 0 HE22 GLN B 259 118.905 -5.791 0.640 1.00 0.00 H new ATOM 1775 N LEU B 260 116.056 -3.231 5.454 1.00 0.00 N ATOM 1776 CA LEU B 260 116.519 -1.829 5.716 1.00 0.00 C ATOM 1777 C LEU B 260 116.492 -1.534 7.218 1.00 0.00 C ATOM 1778 O LEU B 260 117.403 -0.929 7.754 1.00 0.00 O ATOM 1779 CB LEU B 260 115.530 -0.924 4.974 1.00 0.00 C ATOM 1780 CG LEU B 260 115.663 -1.142 3.465 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.498 -0.458 2.746 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.984 -0.541 2.976 1.00 0.00 C ATOM 0 H LEU B 260 115.168 -3.307 4.958 1.00 0.00 H new ATOM 0 HA LEU B 260 117.542 -1.669 5.377 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.511 -1.143 5.294 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.724 0.120 5.219 1.00 0.00 H new ATOM 0 HG LEU B 260 115.647 -2.211 3.251 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.592 -0.613 1.671 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.556 -0.883 3.093 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.514 0.610 2.961 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.079 -0.696 1.901 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.999 0.527 3.191 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.816 -1.026 3.487 1.00 0.00 H new ATOM 1794 N LEU B 261 115.453 -1.959 7.898 1.00 0.00 N ATOM 1795 CA LEU B 261 115.393 -1.768 9.381 1.00 0.00 C ATOM 1796 C LEU B 261 116.419 -2.678 10.062 1.00 0.00 C ATOM 1797 O LEU B 261 117.029 -2.310 11.049 1.00 0.00 O ATOM 1798 CB LEU B 261 113.969 -2.157 9.789 1.00 0.00 C ATOM 1799 CG LEU B 261 113.717 -1.744 11.242 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.625 -0.220 11.334 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.401 -2.360 11.726 1.00 0.00 C ATOM 0 H LEU B 261 114.645 -2.429 7.490 1.00 0.00 H new ATOM 0 HA LEU B 261 115.623 -0.744 9.675 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.247 -1.672 9.132 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.829 -3.232 9.677 1.00 0.00 H new ATOM 0 HG LEU B 261 114.539 -2.097 11.865 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.446 0.072 12.369 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.560 0.222 10.989 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.804 0.133 10.710 1.00 0.00 H new ATOM 0 HD21 LEU B 261 112.221 -2.067 12.760 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.582 -2.006 11.100 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.463 -3.446 11.663 1.00 0.00 H new ATOM 1813 N SER B 262 116.608 -3.867 9.536 1.00 0.00 N ATOM 1814 CA SER B 262 117.642 -4.797 10.100 1.00 0.00 C ATOM 1815 C SER B 262 119.041 -4.182 9.971 1.00 0.00 C ATOM 1816 O SER B 262 119.875 -4.330 10.846 1.00 0.00 O ATOM 1817 CB SER B 262 117.545 -6.071 9.259 1.00 0.00 C ATOM 1818 OG SER B 262 118.387 -7.069 9.819 1.00 0.00 O ATOM 0 H SER B 262 116.089 -4.235 8.738 1.00 0.00 H new ATOM 0 HA SER B 262 117.474 -4.994 11.159 1.00 0.00 H new ATOM 0 HB2 SER B 262 116.514 -6.423 9.230 1.00 0.00 H new ATOM 0 HB3 SER B 262 117.841 -5.865 8.230 1.00 0.00 H new ATOM 0 HG SER B 262 118.326 -7.887 9.283 1.00 0.00 H new ATOM 1824 N LEU B 263 119.299 -3.494 8.882 1.00 0.00 N ATOM 1825 CA LEU B 263 120.641 -2.850 8.690 1.00 0.00 C ATOM 1826 C LEU B 263 120.862 -1.758 9.741 1.00 0.00 C ATOM 1827 O LEU B 263 121.939 -1.628 10.293 1.00 0.00 O ATOM 1828 CB LEU B 263 120.602 -2.237 7.287 1.00 0.00 C ATOM 1829 CG LEU B 263 120.702 -3.348 6.239 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.150 -2.843 4.904 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.168 -3.750 6.063 1.00 0.00 C ATOM 0 H LEU B 263 118.639 -3.350 8.118 1.00 0.00 H new ATOM 0 HA LEU B 263 121.454 -3.568 8.797 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.678 -1.676 7.150 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.424 -1.532 7.164 1.00 0.00 H new ATOM 0 HG LEU B 263 120.123 -4.211 6.568 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.221 -3.634 4.158 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.106 -2.554 5.028 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.729 -1.980 4.574 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.241 -4.541 5.317 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.745 -2.886 5.734 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.563 -4.109 7.013 1.00 0.00 H new