USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=18 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= -1.09 K(o=0.069,f=-11!) USER MOD Set 1.2: A 19 SER OG : rot 98:sc= 1.16 USER MOD Set 2.1: A 7 TYR OH : rot 12:sc= 0.572 USER MOD Set 2.2: A 27 ASN : amide:sc= -0.0769 K(o=0.5,f=2.7) USER MOD Single : A 2 SER OG : rot 37:sc= 0.124 USER MOD Single : A 9 SER OG : rot -115:sc= -0.0884 USER MOD Single : A 10 ASN : amide:sc= -7.85! C(o=-7.9!,f=-11!) USER MOD Single : A 16 ASN : amide:sc= -1.69 K(o=-1.7,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -165:sc= -2.32 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=-0.73) USER MOD Single : A 41 ASN : amide:sc= -0.0511 X(o=-0.051,f=-0.016) USER MOD Single : A 43 SER OG : rot 75:sc= 0.0812 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.0393) USER MOD Single : A 46 SER OG : rot 14:sc= 0.909 USER MOD Single : A 49 THR OG1 : rot -79:sc= -0.138 USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0335) USER MOD Single : A 53 LYS NZ :NH3+ -157:sc= 0.234 (180deg=0.108) USER MOD Single : B 257 SER OG : rot 38:sc= 0.293 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 262 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 122.884 -1.382 0.618 1.00 0.00 N ATOM 45 CA SER A 2 122.984 -0.210 1.543 1.00 0.00 C ATOM 46 C SER A 2 121.903 0.825 1.214 1.00 0.00 C ATOM 47 O SER A 2 121.100 0.633 0.319 1.00 0.00 O ATOM 48 CB SER A 2 124.375 0.371 1.294 1.00 0.00 C ATOM 49 OG SER A 2 125.357 -0.576 1.692 1.00 0.00 O ATOM 0 HA SER A 2 122.839 -0.495 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.496 0.616 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 124.500 1.298 1.853 1.00 0.00 H new ATOM 0 HG SER A 2 125.048 -1.480 1.472 1.00 0.00 H new ATOM 55 N VAL A 3 121.883 1.921 1.935 1.00 0.00 N ATOM 56 CA VAL A 3 120.847 2.981 1.690 1.00 0.00 C ATOM 57 C VAL A 3 121.034 3.601 0.297 1.00 0.00 C ATOM 58 O VAL A 3 120.089 4.073 -0.308 1.00 0.00 O ATOM 59 CB VAL A 3 121.061 4.040 2.787 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.012 5.149 2.652 1.00 0.00 C ATOM 61 CG2 VAL A 3 120.926 3.389 4.169 1.00 0.00 C ATOM 0 H VAL A 3 122.541 2.130 2.686 1.00 0.00 H new ATOM 0 HA VAL A 3 119.838 2.571 1.723 1.00 0.00 H new ATOM 0 HB VAL A 3 122.059 4.465 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.169 5.895 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.105 5.621 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.015 4.721 2.755 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.078 4.142 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 3 119.930 2.959 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.674 2.603 4.276 1.00 0.00 H new ATOM 71 N ALA A 4 122.248 3.604 -0.215 1.00 0.00 N ATOM 72 CA ALA A 4 122.510 4.221 -1.561 1.00 0.00 C ATOM 73 C ALA A 4 121.600 3.597 -2.624 1.00 0.00 C ATOM 74 O ALA A 4 121.212 4.244 -3.580 1.00 0.00 O ATOM 75 CB ALA A 4 123.977 3.908 -1.872 1.00 0.00 C ATOM 0 H ALA A 4 123.068 3.206 0.242 1.00 0.00 H new ATOM 0 HA ALA A 4 122.311 5.293 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.241 4.328 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.613 4.345 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.122 2.828 -1.893 1.00 0.00 H new ATOM 81 N ASP A 5 121.261 2.343 -2.456 1.00 0.00 N ATOM 82 CA ASP A 5 120.282 1.690 -3.384 1.00 0.00 C ATOM 83 C ASP A 5 118.888 2.292 -3.182 1.00 0.00 C ATOM 84 O ASP A 5 118.117 2.420 -4.116 1.00 0.00 O ATOM 85 CB ASP A 5 120.285 0.204 -3.007 1.00 0.00 C ATOM 86 CG ASP A 5 121.653 -0.407 -3.321 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.194 -0.097 -4.370 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.138 -1.173 -2.505 1.00 0.00 O ATOM 0 H ASP A 5 121.620 1.741 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 5 120.549 1.838 -4.430 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.059 0.088 -1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 5 119.506 -0.322 -3.559 1.00 0.00 H new ATOM 93 N PHE A 6 118.564 2.659 -1.964 1.00 0.00 N ATOM 94 CA PHE A 6 117.231 3.278 -1.683 1.00 0.00 C ATOM 95 C PHE A 6 117.327 4.813 -1.640 1.00 0.00 C ATOM 96 O PHE A 6 116.390 5.480 -1.246 1.00 0.00 O ATOM 97 CB PHE A 6 116.825 2.735 -0.313 1.00 0.00 C ATOM 98 CG PHE A 6 116.661 1.234 -0.282 1.00 0.00 C ATOM 99 CD1 PHE A 6 117.767 0.407 0.033 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.401 0.653 -0.567 1.00 0.00 C ATOM 101 CE1 PHE A 6 117.613 -1.000 0.063 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.248 -0.754 -0.536 1.00 0.00 C ATOM 103 CZ PHE A 6 116.353 -1.581 -0.221 1.00 0.00 C ATOM 0 H PHE A 6 119.169 2.555 -1.150 1.00 0.00 H new ATOM 0 HA PHE A 6 116.506 3.037 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 6 117.577 3.025 0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 6 115.887 3.201 -0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 6 118.728 0.850 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.558 1.283 -0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 6 118.457 -1.630 0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.287 -1.197 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.235 -2.654 -0.197 1.00 0.00 H new ATOM 113 N TYR A 7 118.446 5.378 -2.040 1.00 0.00 N ATOM 114 CA TYR A 7 118.600 6.870 -1.989 1.00 0.00 C ATOM 115 C TYR A 7 117.655 7.534 -2.999 1.00 0.00 C ATOM 116 O TYR A 7 117.638 7.186 -4.167 1.00 0.00 O ATOM 117 CB TYR A 7 120.060 7.123 -2.386 1.00 0.00 C ATOM 118 CG TYR A 7 120.640 8.417 -1.853 1.00 0.00 C ATOM 119 CD1 TYR A 7 119.919 9.631 -1.979 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.919 8.417 -1.244 1.00 0.00 C ATOM 121 CE1 TYR A 7 120.480 10.841 -1.501 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.475 9.627 -0.761 1.00 0.00 C ATOM 123 CZ TYR A 7 121.757 10.838 -0.891 1.00 0.00 C ATOM 124 OH TYR A 7 122.310 12.016 -0.433 1.00 0.00 O ATOM 0 H TYR A 7 119.256 4.872 -2.398 1.00 0.00 H new ATOM 0 HA TYR A 7 118.359 7.279 -1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.669 6.292 -2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 7 120.132 7.128 -3.474 1.00 0.00 H new ATOM 0 HD1 TYR A 7 118.942 9.634 -2.439 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.471 7.494 -1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 7 119.933 11.766 -1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.448 9.624 -0.293 1.00 0.00 H new ATOM 0 HH TYR A 7 121.628 12.720 -0.433 1.00 0.00 H new ATOM 134 N GLY A 8 116.870 8.485 -2.553 1.00 0.00 N ATOM 135 CA GLY A 8 115.878 9.148 -3.458 1.00 0.00 C ATOM 136 C GLY A 8 114.587 8.316 -3.559 1.00 0.00 C ATOM 137 O GLY A 8 113.649 8.717 -4.223 1.00 0.00 O ATOM 0 H GLY A 8 116.874 8.833 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.645 10.144 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.312 9.275 -4.450 1.00 0.00 H new ATOM 141 N SER A 9 114.521 7.169 -2.917 1.00 0.00 N ATOM 142 CA SER A 9 113.260 6.361 -2.948 1.00 0.00 C ATOM 143 C SER A 9 112.219 6.970 -2.003 1.00 0.00 C ATOM 144 O SER A 9 112.554 7.496 -0.957 1.00 0.00 O ATOM 145 CB SER A 9 113.662 4.961 -2.472 1.00 0.00 C ATOM 146 OG SER A 9 113.907 4.984 -1.071 1.00 0.00 O ATOM 0 H SER A 9 115.284 6.761 -2.376 1.00 0.00 H new ATOM 0 HA SER A 9 112.814 6.337 -3.942 1.00 0.00 H new ATOM 0 HB2 SER A 9 112.871 4.247 -2.701 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.555 4.628 -3.002 1.00 0.00 H new ATOM 0 HG SER A 9 114.851 4.784 -0.901 1.00 0.00 H new ATOM 152 N ASN A 10 110.962 6.901 -2.366 1.00 0.00 N ATOM 153 CA ASN A 10 109.882 7.369 -1.442 1.00 0.00 C ATOM 154 C ASN A 10 109.505 6.242 -0.482 1.00 0.00 C ATOM 155 O ASN A 10 109.065 5.184 -0.898 1.00 0.00 O ATOM 156 CB ASN A 10 108.691 7.710 -2.345 1.00 0.00 C ATOM 157 CG ASN A 10 109.038 8.894 -3.250 1.00 0.00 C ATOM 158 OD1 ASN A 10 110.142 8.996 -3.745 1.00 0.00 O ATOM 159 ND2 ASN A 10 108.131 9.802 -3.490 1.00 0.00 N ATOM 0 H ASN A 10 110.637 6.541 -3.263 1.00 0.00 H new ATOM 0 HA ASN A 10 110.194 8.225 -0.844 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.425 6.844 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.820 7.951 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 10 108.350 10.595 -4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.203 9.718 -3.075 1.00 0.00 H new ATOM 166 N VAL A 11 109.673 6.461 0.796 1.00 0.00 N ATOM 167 CA VAL A 11 109.323 5.404 1.795 1.00 0.00 C ATOM 168 C VAL A 11 108.712 6.051 3.040 1.00 0.00 C ATOM 169 O VAL A 11 108.894 7.230 3.283 1.00 0.00 O ATOM 170 CB VAL A 11 110.643 4.689 2.134 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.200 4.013 0.877 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.675 5.694 2.666 1.00 0.00 C ATOM 0 H VAL A 11 110.038 7.327 1.193 1.00 0.00 H new ATOM 0 HA VAL A 11 108.588 4.699 1.407 1.00 0.00 H new ATOM 0 HB VAL A 11 110.446 3.940 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.135 3.507 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.479 3.285 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.383 4.765 0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.603 5.173 2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.867 6.453 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 11 111.288 6.170 3.567 1.00 0.00 H new ATOM 182 N GLU A 12 107.990 5.290 3.827 1.00 0.00 N ATOM 183 CA GLU A 12 107.387 5.862 5.068 1.00 0.00 C ATOM 184 C GLU A 12 108.095 5.303 6.305 1.00 0.00 C ATOM 185 O GLU A 12 108.251 4.106 6.453 1.00 0.00 O ATOM 186 CB GLU A 12 105.926 5.408 5.037 1.00 0.00 C ATOM 187 CG GLU A 12 105.148 6.103 6.158 1.00 0.00 C ATOM 188 CD GLU A 12 103.717 5.564 6.200 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.128 5.412 5.141 1.00 0.00 O ATOM 190 OE2 GLU A 12 103.232 5.310 7.290 1.00 0.00 O ATOM 0 H GLU A 12 107.794 4.302 3.663 1.00 0.00 H new ATOM 0 HA GLU A 12 107.479 6.947 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.481 5.646 4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.868 4.326 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.640 5.932 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.137 7.180 5.993 1.00 0.00 H new ATOM 197 N VAL A 13 108.523 6.167 7.189 1.00 0.00 N ATOM 198 CA VAL A 13 109.238 5.702 8.416 1.00 0.00 C ATOM 199 C VAL A 13 108.326 5.846 9.639 1.00 0.00 C ATOM 200 O VAL A 13 107.774 6.902 9.890 1.00 0.00 O ATOM 201 CB VAL A 13 110.461 6.627 8.540 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.298 6.226 9.760 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.329 6.515 7.279 1.00 0.00 C ATOM 0 H VAL A 13 108.408 7.178 7.114 1.00 0.00 H new ATOM 0 HA VAL A 13 109.528 4.653 8.356 1.00 0.00 H new ATOM 0 HB VAL A 13 110.114 7.654 8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 13 112.162 6.885 9.841 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.691 6.311 10.661 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.637 5.196 9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 13 112.193 7.172 7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.667 5.486 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.744 6.807 6.407 1.00 0.00 H new ATOM 213 N LEU A 14 108.166 4.789 10.396 1.00 0.00 N ATOM 214 CA LEU A 14 107.407 4.883 11.679 1.00 0.00 C ATOM 215 C LEU A 14 108.394 5.089 12.832 1.00 0.00 C ATOM 216 O LEU A 14 109.343 4.340 12.984 1.00 0.00 O ATOM 217 CB LEU A 14 106.680 3.537 11.807 1.00 0.00 C ATOM 218 CG LEU A 14 105.869 3.488 13.110 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.639 4.388 12.988 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.419 2.050 13.373 1.00 0.00 C ATOM 0 H LEU A 14 108.530 3.861 10.179 1.00 0.00 H new ATOM 0 HA LEU A 14 106.705 5.716 11.703 1.00 0.00 H new ATOM 0 HB2 LEU A 14 106.018 3.392 10.953 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.404 2.722 11.791 1.00 0.00 H new ATOM 0 HG LEU A 14 106.491 3.836 13.935 1.00 0.00 H new ATOM 0 HD11 LEU A 14 104.067 4.350 13.915 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.956 5.414 12.799 1.00 0.00 H new ATOM 0 HD13 LEU A 14 104.016 4.043 12.163 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.843 2.012 14.298 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.799 1.706 12.545 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.294 1.406 13.464 1.00 0.00 H new ATOM 232 N LEU A 15 108.176 6.094 13.641 1.00 0.00 N ATOM 233 CA LEU A 15 109.183 6.449 14.688 1.00 0.00 C ATOM 234 C LEU A 15 108.823 5.816 16.037 1.00 0.00 C ATOM 235 O LEU A 15 107.735 5.305 16.225 1.00 0.00 O ATOM 236 CB LEU A 15 109.139 7.976 14.783 1.00 0.00 C ATOM 237 CG LEU A 15 109.634 8.591 13.472 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.330 10.090 13.464 1.00 0.00 C ATOM 239 CD2 LEU A 15 111.146 8.381 13.346 1.00 0.00 C ATOM 0 H LEU A 15 107.345 6.685 13.622 1.00 0.00 H new ATOM 0 HA LEU A 15 110.176 6.081 14.432 1.00 0.00 H new ATOM 0 HB2 LEU A 15 108.121 8.308 14.990 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.760 8.316 15.612 1.00 0.00 H new ATOM 0 HG LEU A 15 109.128 8.111 12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.683 10.528 12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.255 10.244 13.553 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.836 10.568 14.303 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.498 8.819 12.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.651 8.860 14.185 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.367 7.314 13.352 1.00 0.00 H new ATOM 251 N ASN A 16 109.744 5.852 16.976 1.00 0.00 N ATOM 252 CA ASN A 16 109.504 5.230 18.326 1.00 0.00 C ATOM 253 C ASN A 16 108.267 5.833 19.012 1.00 0.00 C ATOM 254 O ASN A 16 107.678 5.224 19.886 1.00 0.00 O ATOM 255 CB ASN A 16 110.771 5.530 19.146 1.00 0.00 C ATOM 256 CG ASN A 16 111.011 7.044 19.234 1.00 0.00 C ATOM 257 OD1 ASN A 16 110.172 7.777 19.720 1.00 0.00 O ATOM 258 ND2 ASN A 16 112.129 7.543 18.781 1.00 0.00 N ATOM 0 H ASN A 16 110.659 6.289 16.865 1.00 0.00 H new ATOM 0 HA ASN A 16 109.313 4.160 18.238 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.669 5.113 20.148 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.632 5.046 18.685 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.298 8.547 18.835 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.833 6.928 18.373 1.00 0.00 H new ATOM 265 N ASN A 17 107.874 7.022 18.618 1.00 0.00 N ATOM 266 CA ASN A 17 106.712 7.697 19.282 1.00 0.00 C ATOM 267 C ASN A 17 105.392 7.363 18.562 1.00 0.00 C ATOM 268 O ASN A 17 104.426 8.094 18.666 1.00 0.00 O ATOM 269 CB ASN A 17 107.015 9.206 19.212 1.00 0.00 C ATOM 270 CG ASN A 17 107.154 9.668 17.755 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.266 9.465 16.953 1.00 0.00 O ATOM 272 ND2 ASN A 17 108.242 10.285 17.381 1.00 0.00 N ATOM 0 H ASN A 17 108.308 7.555 17.864 1.00 0.00 H new ATOM 0 HA ASN A 17 106.588 7.361 20.311 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.217 9.765 19.701 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.934 9.422 19.756 1.00 0.00 H new ATOM 0 HD21 ASN A 17 108.345 10.596 16.415 1.00 0.00 H new ATOM 0 HD22 ASN A 17 108.989 10.456 18.055 1.00 0.00 H new ATOM 279 N ASP A 18 105.348 6.265 17.830 1.00 0.00 N ATOM 280 CA ASP A 18 104.060 5.775 17.222 1.00 0.00 C ATOM 281 C ASP A 18 103.469 6.828 16.274 1.00 0.00 C ATOM 282 O ASP A 18 102.266 6.894 16.091 1.00 0.00 O ATOM 283 CB ASP A 18 103.105 5.508 18.396 1.00 0.00 C ATOM 284 CG ASP A 18 103.670 4.391 19.278 1.00 0.00 C ATOM 285 OD1 ASP A 18 104.171 3.423 18.729 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.589 4.522 20.489 1.00 0.00 O ATOM 0 H ASP A 18 106.160 5.682 17.627 1.00 0.00 H new ATOM 0 HA ASP A 18 104.223 4.874 16.630 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.973 6.417 18.984 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.122 5.225 18.020 1.00 0.00 H new ATOM 291 N SER A 19 104.301 7.650 15.673 1.00 0.00 N ATOM 292 CA SER A 19 103.813 8.563 14.596 1.00 0.00 C ATOM 293 C SER A 19 104.400 8.129 13.251 1.00 0.00 C ATOM 294 O SER A 19 105.510 7.630 13.185 1.00 0.00 O ATOM 295 CB SER A 19 104.322 9.950 14.980 1.00 0.00 C ATOM 296 OG SER A 19 103.928 10.243 16.314 1.00 0.00 O ATOM 0 H SER A 19 105.296 7.725 15.885 1.00 0.00 H new ATOM 0 HA SER A 19 102.727 8.549 14.499 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.408 9.988 14.893 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.921 10.699 14.297 1.00 0.00 H new ATOM 0 HG SER A 19 104.672 10.056 16.923 1.00 0.00 H new ATOM 302 N LYS A 20 103.666 8.315 12.182 1.00 0.00 N ATOM 303 CA LYS A 20 104.151 7.859 10.845 1.00 0.00 C ATOM 304 C LYS A 20 104.511 9.058 9.965 1.00 0.00 C ATOM 305 O LYS A 20 103.940 10.125 10.094 1.00 0.00 O ATOM 306 CB LYS A 20 102.968 7.103 10.238 1.00 0.00 C ATOM 307 CG LYS A 20 102.825 5.740 10.914 1.00 0.00 C ATOM 308 CD LYS A 20 101.628 4.996 10.317 1.00 0.00 C ATOM 309 CE LYS A 20 101.425 3.675 11.061 1.00 0.00 C ATOM 310 NZ LYS A 20 100.179 3.097 10.485 1.00 0.00 N ATOM 0 H LYS A 20 102.750 8.764 12.179 1.00 0.00 H new ATOM 0 HA LYS A 20 105.046 7.242 10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.052 7.680 10.364 1.00 0.00 H new ATOM 0 HB3 LYS A 20 103.118 6.974 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.735 5.156 10.775 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.688 5.868 11.988 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.730 5.610 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.796 4.806 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 20 102.274 3.006 10.917 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.326 3.837 12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.973 2.188 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.387 3.752 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.306 2.947 9.464 1.00 0.00 H new ATOM 324 N ALA A 21 105.454 8.883 9.074 1.00 0.00 N ATOM 325 CA ALA A 21 105.806 9.979 8.118 1.00 0.00 C ATOM 326 C ALA A 21 106.381 9.385 6.829 1.00 0.00 C ATOM 327 O ALA A 21 106.929 8.300 6.832 1.00 0.00 O ATOM 328 CB ALA A 21 106.857 10.819 8.842 1.00 0.00 C ATOM 0 H ALA A 21 105.997 8.026 8.967 1.00 0.00 H new ATOM 0 HA ALA A 21 104.939 10.576 7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.166 11.646 8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.434 11.214 9.766 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.722 10.198 9.075 1.00 0.00 H new ATOM 334 N ARG A 22 106.261 10.092 5.728 1.00 0.00 N ATOM 335 CA ARG A 22 106.804 9.576 4.435 1.00 0.00 C ATOM 336 C ARG A 22 107.493 10.698 3.658 1.00 0.00 C ATOM 337 O ARG A 22 107.135 11.854 3.778 1.00 0.00 O ATOM 338 CB ARG A 22 105.589 9.031 3.665 1.00 0.00 C ATOM 339 CG ARG A 22 104.561 10.146 3.424 1.00 0.00 C ATOM 340 CD ARG A 22 103.270 9.538 2.867 1.00 0.00 C ATOM 341 NE ARG A 22 102.674 8.776 4.008 1.00 0.00 N ATOM 342 CZ ARG A 22 102.052 9.387 5.000 1.00 0.00 C ATOM 343 NH1 ARG A 22 101.939 10.695 5.041 1.00 0.00 N ATOM 344 NH2 ARG A 22 101.540 8.674 5.965 1.00 0.00 N ATOM 0 H ARG A 22 105.809 11.005 5.672 1.00 0.00 H new ATOM 0 HA ARG A 22 107.555 8.801 4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.913 8.614 2.711 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.129 8.219 4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.355 10.673 4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.962 10.880 2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 22 102.590 10.313 2.513 1.00 0.00 H new ATOM 0 HD3 ARG A 22 103.476 8.883 2.020 1.00 0.00 H new ATOM 0 HE ARG A 22 102.750 7.759 4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 22 102.337 11.265 4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 22 101.453 11.141 5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 22 101.623 7.658 5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 22 101.057 9.133 6.737 1.00 0.00 H new ATOM 358 N GLY A 23 108.483 10.358 2.870 1.00 0.00 N ATOM 359 CA GLY A 23 109.221 11.398 2.096 1.00 0.00 C ATOM 360 C GLY A 23 110.175 10.710 1.118 1.00 0.00 C ATOM 361 O GLY A 23 110.360 9.507 1.168 1.00 0.00 O ATOM 0 H GLY A 23 108.811 9.402 2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.519 12.032 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.779 12.046 2.773 1.00 0.00 H new ATOM 365 N VAL A 24 110.777 11.462 0.231 1.00 0.00 N ATOM 366 CA VAL A 24 111.788 10.868 -0.700 1.00 0.00 C ATOM 367 C VAL A 24 113.186 11.057 -0.107 1.00 0.00 C ATOM 368 O VAL A 24 113.587 12.159 0.208 1.00 0.00 O ATOM 369 CB VAL A 24 111.657 11.661 -2.015 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.576 11.046 -3.080 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.200 11.635 -2.516 1.00 0.00 C ATOM 0 H VAL A 24 110.613 12.461 0.110 1.00 0.00 H new ATOM 0 HA VAL A 24 111.630 9.802 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 24 111.948 12.695 -1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.482 11.608 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.609 11.085 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.290 10.009 -3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 24 110.125 12.200 -3.445 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.894 10.604 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.549 12.083 -1.765 1.00 0.00 H new ATOM 381 N ILE A 25 113.929 9.989 0.041 1.00 0.00 N ATOM 382 CA ILE A 25 115.232 10.071 0.788 1.00 0.00 C ATOM 383 C ILE A 25 116.201 11.045 0.093 1.00 0.00 C ATOM 384 O ILE A 25 116.333 11.051 -1.115 1.00 0.00 O ATOM 385 CB ILE A 25 115.778 8.628 0.798 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.992 7.806 1.823 1.00 0.00 C ATOM 387 CG2 ILE A 25 117.269 8.605 1.169 1.00 0.00 C ATOM 388 CD1 ILE A 25 115.249 6.316 1.593 1.00 0.00 C ATOM 0 H ILE A 25 113.695 9.064 -0.320 1.00 0.00 H new ATOM 0 HA ILE A 25 115.106 10.455 1.800 1.00 0.00 H new ATOM 0 HB ILE A 25 115.664 8.205 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 25 115.291 8.085 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.927 8.019 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.628 7.576 1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.834 9.187 0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.404 9.036 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.688 5.733 2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.929 6.042 0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.313 6.109 1.703 1.00 0.00 H new ATOM 400 N THR A 26 116.873 11.864 0.869 1.00 0.00 N ATOM 401 CA THR A 26 117.808 12.872 0.287 1.00 0.00 C ATOM 402 C THR A 26 119.239 12.683 0.810 1.00 0.00 C ATOM 403 O THR A 26 120.175 13.161 0.199 1.00 0.00 O ATOM 404 CB THR A 26 117.260 14.235 0.716 1.00 0.00 C ATOM 405 OG1 THR A 26 116.889 14.194 2.087 1.00 0.00 O ATOM 406 CG2 THR A 26 116.040 14.589 -0.137 1.00 0.00 C ATOM 0 H THR A 26 116.811 11.875 1.887 1.00 0.00 H new ATOM 0 HA THR A 26 117.864 12.773 -0.797 1.00 0.00 H new ATOM 0 HB THR A 26 118.031 14.993 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.328 14.970 2.298 1.00 0.00 H new ATOM 0 HG21 THR A 26 115.651 15.560 0.170 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.330 14.629 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.269 13.830 -0.002 1.00 0.00 H new ATOM 414 N ASN A 27 119.434 12.004 1.930 1.00 0.00 N ATOM 415 CA ASN A 27 120.841 11.752 2.399 1.00 0.00 C ATOM 416 C ASN A 27 120.897 10.677 3.490 1.00 0.00 C ATOM 417 O ASN A 27 119.924 10.403 4.164 1.00 0.00 O ATOM 418 CB ASN A 27 121.327 13.093 2.955 1.00 0.00 C ATOM 419 CG ASN A 27 122.852 13.162 2.867 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.413 13.115 1.789 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.553 13.272 3.962 1.00 0.00 N ATOM 0 H ASN A 27 118.697 11.624 2.524 1.00 0.00 H new ATOM 0 HA ASN A 27 121.463 11.386 1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.883 13.914 2.392 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.007 13.206 3.991 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.571 13.319 3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.083 13.312 4.867 1.00 0.00 H new ATOM 428 N PHE A 28 122.051 10.071 3.651 1.00 0.00 N ATOM 429 CA PHE A 28 122.288 9.122 4.783 1.00 0.00 C ATOM 430 C PHE A 28 123.770 9.157 5.164 1.00 0.00 C ATOM 431 O PHE A 28 124.631 8.863 4.356 1.00 0.00 O ATOM 432 CB PHE A 28 121.893 7.745 4.245 1.00 0.00 C ATOM 433 CG PHE A 28 122.085 6.626 5.244 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.064 6.322 6.176 1.00 0.00 C ATOM 435 CD2 PHE A 28 123.291 5.881 5.247 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.247 5.275 7.112 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.473 4.833 6.182 1.00 0.00 C ATOM 438 CZ PHE A 28 122.452 4.530 7.114 1.00 0.00 C ATOM 0 H PHE A 28 122.852 10.198 3.033 1.00 0.00 H new ATOM 0 HA PHE A 28 121.715 9.374 5.675 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.848 7.771 3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.482 7.530 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.145 6.889 6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.071 6.113 4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.468 5.045 7.824 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.391 4.265 6.184 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.591 3.731 7.827 1.00 0.00 H new ATOM 448 N ASP A 29 124.069 9.515 6.388 1.00 0.00 N ATOM 449 CA ASP A 29 125.494 9.638 6.812 1.00 0.00 C ATOM 450 C ASP A 29 125.912 8.368 7.543 1.00 0.00 C ATOM 451 O ASP A 29 125.247 7.942 8.459 1.00 0.00 O ATOM 452 CB ASP A 29 125.526 10.841 7.757 1.00 0.00 C ATOM 453 CG ASP A 29 126.976 11.188 8.099 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.594 11.898 7.321 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.445 10.738 9.131 1.00 0.00 O ATOM 0 H ASP A 29 123.384 9.728 7.113 1.00 0.00 H new ATOM 0 HA ASP A 29 126.176 9.772 5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.038 11.696 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.971 10.615 8.668 1.00 0.00 H new ATOM 460 N SER A 30 127.002 7.761 7.147 1.00 0.00 N ATOM 461 CA SER A 30 127.405 6.460 7.771 1.00 0.00 C ATOM 462 C SER A 30 127.805 6.664 9.236 1.00 0.00 C ATOM 463 O SER A 30 127.363 5.944 10.111 1.00 0.00 O ATOM 464 CB SER A 30 128.600 5.966 6.953 1.00 0.00 C ATOM 465 OG SER A 30 128.236 5.905 5.580 1.00 0.00 O ATOM 0 H SER A 30 127.630 8.107 6.421 1.00 0.00 H new ATOM 0 HA SER A 30 126.586 5.741 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 30 129.449 6.636 7.087 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.913 4.982 7.302 1.00 0.00 H new ATOM 0 HG SER A 30 129.000 5.591 5.053 1.00 0.00 H new ATOM 471 N SER A 31 128.634 7.644 9.506 1.00 0.00 N ATOM 472 CA SER A 31 129.175 7.823 10.896 1.00 0.00 C ATOM 473 C SER A 31 128.037 8.036 11.903 1.00 0.00 C ATOM 474 O SER A 31 128.024 7.443 12.966 1.00 0.00 O ATOM 475 CB SER A 31 130.065 9.065 10.830 1.00 0.00 C ATOM 476 OG SER A 31 131.035 8.894 9.805 1.00 0.00 O ATOM 0 H SER A 31 128.961 8.329 8.825 1.00 0.00 H new ATOM 0 HA SER A 31 129.725 6.942 11.227 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.460 9.950 10.630 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.557 9.225 11.789 1.00 0.00 H new ATOM 0 HG SER A 31 131.606 9.689 9.759 1.00 0.00 H new ATOM 482 N ASN A 32 127.088 8.878 11.574 1.00 0.00 N ATOM 483 CA ASN A 32 125.971 9.169 12.526 1.00 0.00 C ATOM 484 C ASN A 32 124.662 8.487 12.094 1.00 0.00 C ATOM 485 O ASN A 32 123.679 8.532 12.810 1.00 0.00 O ATOM 486 CB ASN A 32 125.812 10.691 12.487 1.00 0.00 C ATOM 487 CG ASN A 32 127.058 11.357 13.075 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.642 10.858 14.017 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.494 12.472 12.554 1.00 0.00 N ATOM 0 H ASN A 32 127.039 9.377 10.686 1.00 0.00 H new ATOM 0 HA ASN A 32 126.192 8.792 13.524 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.661 11.024 11.460 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.929 10.988 13.052 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.324 12.924 12.937 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.004 12.891 11.763 1.00 0.00 H new ATOM 496 N SER A 33 124.632 7.852 10.934 1.00 0.00 N ATOM 497 CA SER A 33 123.347 7.274 10.396 1.00 0.00 C ATOM 498 C SER A 33 122.215 8.312 10.446 1.00 0.00 C ATOM 499 O SER A 33 121.259 8.172 11.189 1.00 0.00 O ATOM 500 CB SER A 33 123.035 6.070 11.290 1.00 0.00 C ATOM 501 OG SER A 33 123.988 5.043 11.045 1.00 0.00 O ATOM 0 H SER A 33 125.446 7.710 10.336 1.00 0.00 H new ATOM 0 HA SER A 33 123.442 6.981 9.350 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.062 6.365 12.339 1.00 0.00 H new ATOM 0 HB3 SER A 33 122.028 5.704 11.088 1.00 0.00 H new ATOM 0 HG SER A 33 123.792 4.272 11.617 1.00 0.00 H new ATOM 507 N ILE A 34 122.323 9.353 9.656 1.00 0.00 N ATOM 508 CA ILE A 34 121.314 10.459 9.720 1.00 0.00 C ATOM 509 C ILE A 34 120.594 10.563 8.374 1.00 0.00 C ATOM 510 O ILE A 34 121.221 10.698 7.342 1.00 0.00 O ATOM 511 CB ILE A 34 122.119 11.740 10.006 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.981 11.568 11.278 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.161 12.925 10.188 1.00 0.00 C ATOM 514 CD1 ILE A 34 122.105 11.327 12.521 1.00 0.00 C ATOM 0 H ILE A 34 123.066 9.485 8.970 1.00 0.00 H new ATOM 0 HA ILE A 34 120.558 10.290 10.487 1.00 0.00 H new ATOM 0 HB ILE A 34 122.779 11.932 9.160 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.665 10.730 11.145 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.592 12.458 11.428 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.735 13.829 10.390 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.576 13.063 9.279 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.491 12.726 11.024 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.742 11.210 13.398 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.439 12.177 12.667 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.513 10.423 12.379 1.00 0.00 H new ATOM 526 N LEU A 35 119.286 10.510 8.382 1.00 0.00 N ATOM 527 CA LEU A 35 118.528 10.393 7.100 1.00 0.00 C ATOM 528 C LEU A 35 117.666 11.633 6.874 1.00 0.00 C ATOM 529 O LEU A 35 116.787 11.942 7.659 1.00 0.00 O ATOM 530 CB LEU A 35 117.649 9.154 7.282 1.00 0.00 C ATOM 531 CG LEU A 35 116.951 8.816 5.962 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.893 7.994 5.080 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.686 8.005 6.252 1.00 0.00 C ATOM 0 H LEU A 35 118.710 10.543 9.223 1.00 0.00 H new ATOM 0 HA LEU A 35 119.187 10.309 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.257 8.310 7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.908 9.334 8.061 1.00 0.00 H new ATOM 0 HG LEU A 35 116.684 9.738 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.395 7.754 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.795 8.570 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.161 7.071 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.186 7.763 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.955 7.084 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 35 115.015 8.590 6.880 1.00 0.00 H new ATOM 545 N GLN A 36 117.915 12.342 5.804 1.00 0.00 N ATOM 546 CA GLN A 36 117.011 13.459 5.411 1.00 0.00 C ATOM 547 C GLN A 36 115.941 12.932 4.460 1.00 0.00 C ATOM 548 O GLN A 36 116.242 12.212 3.526 1.00 0.00 O ATOM 549 CB GLN A 36 117.909 14.470 4.696 1.00 0.00 C ATOM 550 CG GLN A 36 118.855 15.118 5.709 1.00 0.00 C ATOM 551 CD GLN A 36 119.734 16.152 5.001 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.285 16.841 4.107 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.980 16.290 5.366 1.00 0.00 N ATOM 0 H GLN A 36 118.711 12.193 5.183 1.00 0.00 H new ATOM 0 HA GLN A 36 116.503 13.907 6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.482 13.973 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.301 15.233 4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.282 15.596 6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.478 14.357 6.179 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.359 15.712 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.575 16.976 4.901 1.00 0.00 H new ATOM 562 N LEU A 37 114.697 13.280 4.692 1.00 0.00 N ATOM 563 CA LEU A 37 113.619 12.900 3.732 1.00 0.00 C ATOM 564 C LEU A 37 112.972 14.156 3.148 1.00 0.00 C ATOM 565 O LEU A 37 112.483 15.006 3.871 1.00 0.00 O ATOM 566 CB LEU A 37 112.597 12.124 4.567 1.00 0.00 C ATOM 567 CG LEU A 37 113.185 10.773 4.980 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.362 10.193 6.134 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.138 9.810 3.791 1.00 0.00 C ATOM 0 H LEU A 37 114.385 13.811 5.505 1.00 0.00 H new ATOM 0 HA LEU A 37 114.000 12.311 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.325 12.699 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.683 11.973 3.992 1.00 0.00 H new ATOM 0 HG LEU A 37 114.219 10.909 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.779 9.230 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.391 10.877 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.329 10.058 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.557 8.848 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.104 9.674 3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.719 10.222 2.966 1.00 0.00 H new ATOM 581 N ARG A 38 112.970 14.276 1.845 1.00 0.00 N ATOM 582 CA ARG A 38 112.244 15.407 1.189 1.00 0.00 C ATOM 583 C ARG A 38 110.951 14.898 0.539 1.00 0.00 C ATOM 584 O ARG A 38 110.981 14.263 -0.499 1.00 0.00 O ATOM 585 CB ARG A 38 113.210 15.926 0.122 1.00 0.00 C ATOM 586 CG ARG A 38 112.645 17.201 -0.510 1.00 0.00 C ATOM 587 CD ARG A 38 113.629 17.734 -1.557 1.00 0.00 C ATOM 588 NE ARG A 38 113.555 16.765 -2.699 1.00 0.00 N ATOM 589 CZ ARG A 38 114.012 17.080 -3.897 1.00 0.00 C ATOM 590 NH1 ARG A 38 114.556 18.249 -4.143 1.00 0.00 N ATOM 591 NH2 ARG A 38 113.923 16.204 -4.861 1.00 0.00 N ATOM 0 H ARG A 38 113.441 13.637 1.204 1.00 0.00 H new ATOM 0 HA ARG A 38 111.959 16.185 1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.184 16.130 0.568 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.363 15.166 -0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.681 16.993 -0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 38 112.472 17.954 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 38 113.357 18.740 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 38 114.640 17.790 -1.154 1.00 0.00 H new ATOM 0 HE ARG A 38 113.143 15.844 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.634 18.942 -3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 38 114.900 18.464 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 38 113.505 15.291 -4.683 1.00 0.00 H new ATOM 0 HH22 ARG A 38 114.272 16.433 -5.792 1.00 0.00 H new ATOM 605 N LEU A 39 109.823 15.172 1.144 1.00 0.00 N ATOM 606 CA LEU A 39 108.529 14.631 0.616 1.00 0.00 C ATOM 607 C LEU A 39 107.986 15.528 -0.510 1.00 0.00 C ATOM 608 O LEU A 39 108.305 16.702 -0.594 1.00 0.00 O ATOM 609 CB LEU A 39 107.592 14.616 1.835 1.00 0.00 C ATOM 610 CG LEU A 39 106.176 14.142 1.458 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.202 12.716 0.892 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.315 14.152 2.719 1.00 0.00 C ATOM 0 H LEU A 39 109.740 15.748 1.982 1.00 0.00 H new ATOM 0 HA LEU A 39 108.634 13.639 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.003 13.960 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.539 15.616 2.266 1.00 0.00 H new ATOM 0 HG LEU A 39 105.772 14.809 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.189 12.408 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.827 12.690 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.609 12.035 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.307 13.819 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.748 13.481 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.275 15.163 3.124 1.00 0.00 H new ATOM 624 N ALA A 40 107.161 14.969 -1.368 1.00 0.00 N ATOM 625 CA ALA A 40 106.738 15.687 -2.618 1.00 0.00 C ATOM 626 C ALA A 40 105.847 16.905 -2.316 1.00 0.00 C ATOM 627 O ALA A 40 105.463 17.625 -3.219 1.00 0.00 O ATOM 628 CB ALA A 40 105.955 14.652 -3.430 1.00 0.00 C ATOM 0 H ALA A 40 106.759 14.038 -1.255 1.00 0.00 H new ATOM 0 HA ALA A 40 107.605 16.076 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.612 15.104 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.600 13.802 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.095 14.312 -2.853 1.00 0.00 H new ATOM 634 N ASN A 41 105.512 17.144 -1.068 1.00 0.00 N ATOM 635 CA ASN A 41 104.765 18.393 -0.710 1.00 0.00 C ATOM 636 C ASN A 41 105.739 19.558 -0.455 1.00 0.00 C ATOM 637 O ASN A 41 105.445 20.448 0.321 1.00 0.00 O ATOM 638 CB ASN A 41 103.998 18.048 0.571 1.00 0.00 C ATOM 639 CG ASN A 41 102.918 17.009 0.258 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.852 15.975 0.890 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.064 17.244 -0.700 1.00 0.00 N ATOM 0 H ASN A 41 105.724 16.528 -0.283 1.00 0.00 H new ATOM 0 HA ASN A 41 104.101 18.711 -1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.684 17.659 1.324 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.543 18.946 0.988 1.00 0.00 H new ATOM 0 HD21 ASN A 41 101.341 16.559 -0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 41 102.120 18.113 -1.231 1.00 0.00 H new ATOM 648 N ASP A 42 106.901 19.561 -1.097 1.00 0.00 N ATOM 649 CA ASP A 42 107.865 20.711 -0.974 1.00 0.00 C ATOM 650 C ASP A 42 108.304 20.883 0.486 1.00 0.00 C ATOM 651 O ASP A 42 108.579 21.984 0.929 1.00 0.00 O ATOM 652 CB ASP A 42 107.118 21.964 -1.466 1.00 0.00 C ATOM 653 CG ASP A 42 106.729 21.790 -2.937 1.00 0.00 C ATOM 654 OD1 ASP A 42 107.545 21.287 -3.692 1.00 0.00 O ATOM 655 OD2 ASP A 42 105.621 22.164 -3.285 1.00 0.00 O ATOM 0 H ASP A 42 107.219 18.806 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 42 108.765 20.537 -1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 42 106.226 22.128 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 42 107.749 22.845 -1.349 1.00 0.00 H new ATOM 660 N SER A 43 108.373 19.802 1.238 1.00 0.00 N ATOM 661 CA SER A 43 108.851 19.897 2.650 1.00 0.00 C ATOM 662 C SER A 43 110.008 18.922 2.877 1.00 0.00 C ATOM 663 O SER A 43 109.981 17.797 2.412 1.00 0.00 O ATOM 664 CB SER A 43 107.645 19.512 3.506 1.00 0.00 C ATOM 665 OG SER A 43 106.607 20.463 3.307 1.00 0.00 O ATOM 0 H SER A 43 108.118 18.864 0.930 1.00 0.00 H new ATOM 0 HA SER A 43 109.220 20.892 2.897 1.00 0.00 H new ATOM 0 HB2 SER A 43 107.297 18.515 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 43 107.927 19.479 4.558 1.00 0.00 H new ATOM 0 HG SER A 43 106.185 20.309 2.436 1.00 0.00 H new ATOM 671 N THR A 44 111.022 19.347 3.592 1.00 0.00 N ATOM 672 CA THR A 44 112.187 18.450 3.868 1.00 0.00 C ATOM 673 C THR A 44 112.477 18.416 5.372 1.00 0.00 C ATOM 674 O THR A 44 112.279 19.395 6.069 1.00 0.00 O ATOM 675 CB THR A 44 113.365 19.052 3.085 1.00 0.00 C ATOM 676 OG1 THR A 44 114.522 18.253 3.291 1.00 0.00 O ATOM 677 CG2 THR A 44 113.646 20.487 3.550 1.00 0.00 C ATOM 0 H THR A 44 111.092 20.280 3.998 1.00 0.00 H new ATOM 0 HA THR A 44 111.999 17.421 3.562 1.00 0.00 H new ATOM 0 HB THR A 44 113.109 19.073 2.026 1.00 0.00 H new ATOM 0 HG1 THR A 44 115.275 18.633 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 44 114.483 20.896 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.762 21.103 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.893 20.484 4.612 1.00 0.00 H new ATOM 685 N LYS A 45 112.943 17.299 5.872 1.00 0.00 N ATOM 686 CA LYS A 45 113.205 17.181 7.339 1.00 0.00 C ATOM 687 C LYS A 45 114.344 16.191 7.601 1.00 0.00 C ATOM 688 O LYS A 45 114.398 15.126 7.014 1.00 0.00 O ATOM 689 CB LYS A 45 111.891 16.666 7.934 1.00 0.00 C ATOM 690 CG LYS A 45 111.746 17.164 9.375 1.00 0.00 C ATOM 691 CD LYS A 45 112.504 16.229 10.320 1.00 0.00 C ATOM 692 CE LYS A 45 112.140 16.561 11.768 1.00 0.00 C ATOM 693 NZ LYS A 45 112.952 17.764 12.103 1.00 0.00 N ATOM 0 H LYS A 45 113.153 16.463 5.327 1.00 0.00 H new ATOM 0 HA LYS A 45 113.509 18.130 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.049 17.011 7.334 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.873 15.576 7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.136 18.178 9.461 1.00 0.00 H new ATOM 0 HG3 LYS A 45 110.693 17.203 9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 45 112.254 15.191 10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 45 113.578 16.336 10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 45 111.074 16.763 11.871 1.00 0.00 H new ATOM 0 HE3 LYS A 45 112.372 15.730 12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 113.703 17.501 12.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 113.380 18.146 11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 112.341 18.486 12.535 1.00 0.00 H new ATOM 707 N SER A 46 115.252 16.541 8.481 1.00 0.00 N ATOM 708 CA SER A 46 116.376 15.615 8.820 1.00 0.00 C ATOM 709 C SER A 46 116.025 14.789 10.061 1.00 0.00 C ATOM 710 O SER A 46 115.707 15.330 11.104 1.00 0.00 O ATOM 711 CB SER A 46 117.569 16.528 9.103 1.00 0.00 C ATOM 712 OG SER A 46 117.323 17.270 10.289 1.00 0.00 O ATOM 0 H SER A 46 115.262 17.431 8.980 1.00 0.00 H new ATOM 0 HA SER A 46 116.585 14.908 8.017 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.477 15.935 9.213 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.730 17.205 8.264 1.00 0.00 H new ATOM 0 HG SER A 46 116.564 16.878 10.769 1.00 0.00 H new ATOM 718 N ILE A 47 116.083 13.484 9.952 1.00 0.00 N ATOM 719 CA ILE A 47 115.771 12.608 11.125 1.00 0.00 C ATOM 720 C ILE A 47 116.901 11.591 11.314 1.00 0.00 C ATOM 721 O ILE A 47 117.352 10.976 10.366 1.00 0.00 O ATOM 722 CB ILE A 47 114.448 11.904 10.774 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.346 12.947 10.548 1.00 0.00 C ATOM 724 CG2 ILE A 47 114.031 10.980 11.925 1.00 0.00 C ATOM 725 CD1 ILE A 47 112.122 12.274 9.921 1.00 0.00 C ATOM 0 H ILE A 47 116.334 12.986 9.098 1.00 0.00 H new ATOM 0 HA ILE A 47 115.680 13.169 12.055 1.00 0.00 H new ATOM 0 HB ILE A 47 114.591 11.319 9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 47 113.072 13.413 11.495 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.711 13.741 9.896 1.00 0.00 H new ATOM 0 HG21 ILE A 47 113.094 10.484 11.672 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.806 10.231 12.089 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.897 11.568 12.833 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.340 13.017 9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.401 11.829 8.966 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.752 11.496 10.589 1.00 0.00 H new ATOM 737 N VAL A 48 117.357 11.414 12.530 1.00 0.00 N ATOM 738 CA VAL A 48 118.449 10.421 12.783 1.00 0.00 C ATOM 739 C VAL A 48 117.838 9.014 12.888 1.00 0.00 C ATOM 740 O VAL A 48 116.915 8.784 13.643 1.00 0.00 O ATOM 741 CB VAL A 48 119.094 10.861 14.113 1.00 0.00 C ATOM 742 CG1 VAL A 48 120.239 9.906 14.482 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.635 12.297 13.983 1.00 0.00 C ATOM 0 H VAL A 48 117.023 11.911 13.355 1.00 0.00 H new ATOM 0 HA VAL A 48 119.191 10.386 11.985 1.00 0.00 H new ATOM 0 HB VAL A 48 118.339 10.833 14.899 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.689 10.224 15.422 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.848 8.894 14.590 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.993 9.921 13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 48 120.089 12.601 14.926 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.383 12.334 13.191 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.816 12.974 13.740 1.00 0.00 H new ATOM 753 N THR A 49 118.355 8.074 12.131 1.00 0.00 N ATOM 754 CA THR A 49 117.665 6.745 11.967 1.00 0.00 C ATOM 755 C THR A 49 117.442 6.047 13.311 1.00 0.00 C ATOM 756 O THR A 49 116.548 5.233 13.453 1.00 0.00 O ATOM 757 CB THR A 49 118.601 5.899 11.091 1.00 0.00 C ATOM 758 OG1 THR A 49 119.849 5.727 11.754 1.00 0.00 O ATOM 759 CG2 THR A 49 118.823 6.587 9.738 1.00 0.00 C ATOM 0 H THR A 49 119.230 8.167 11.615 1.00 0.00 H new ATOM 0 HA THR A 49 116.679 6.878 11.522 1.00 0.00 H new ATOM 0 HB THR A 49 118.144 4.924 10.920 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.393 6.534 11.641 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.488 5.979 9.125 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.867 6.705 9.229 1.00 0.00 H new ATOM 0 HG23 THR A 49 119.272 7.567 9.898 1.00 0.00 H new ATOM 767 N LYS A 50 118.248 6.356 14.296 1.00 0.00 N ATOM 768 CA LYS A 50 118.129 5.664 15.623 1.00 0.00 C ATOM 769 C LYS A 50 116.718 5.822 16.201 1.00 0.00 C ATOM 770 O LYS A 50 116.266 4.995 16.974 1.00 0.00 O ATOM 771 CB LYS A 50 119.166 6.340 16.531 1.00 0.00 C ATOM 772 CG LYS A 50 119.259 5.596 17.867 1.00 0.00 C ATOM 773 CD LYS A 50 119.996 6.470 18.886 1.00 0.00 C ATOM 774 CE LYS A 50 119.053 7.557 19.406 1.00 0.00 C ATOM 775 NZ LYS A 50 118.293 6.910 20.511 1.00 0.00 N ATOM 0 H LYS A 50 118.986 7.058 14.241 1.00 0.00 H new ATOM 0 HA LYS A 50 118.306 4.592 15.533 1.00 0.00 H new ATOM 0 HB2 LYS A 50 120.140 6.348 16.041 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.888 7.380 16.703 1.00 0.00 H new ATOM 0 HG2 LYS A 50 118.261 5.356 18.232 1.00 0.00 H new ATOM 0 HG3 LYS A 50 119.786 4.651 17.734 1.00 0.00 H new ATOM 0 HD2 LYS A 50 120.354 5.858 19.714 1.00 0.00 H new ATOM 0 HD3 LYS A 50 120.872 6.925 18.424 1.00 0.00 H new ATOM 0 HE2 LYS A 50 119.609 8.424 19.764 1.00 0.00 H new ATOM 0 HE3 LYS A 50 118.385 7.909 18.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 117.342 7.326 20.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 118.214 5.889 20.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 118.792 7.062 21.411 1.00 0.00 H new ATOM 789 N ASP A 51 116.022 6.871 15.837 1.00 0.00 N ATOM 790 CA ASP A 51 114.612 7.030 16.317 1.00 0.00 C ATOM 791 C ASP A 51 113.622 6.268 15.415 1.00 0.00 C ATOM 792 O ASP A 51 112.422 6.377 15.589 1.00 0.00 O ATOM 793 CB ASP A 51 114.324 8.543 16.310 1.00 0.00 C ATOM 794 CG ASP A 51 114.474 9.134 14.900 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.937 8.559 13.968 1.00 0.00 O ATOM 796 OD2 ASP A 51 115.122 10.161 14.782 1.00 0.00 O ATOM 0 H ASP A 51 116.364 7.619 15.234 1.00 0.00 H new ATOM 0 HA ASP A 51 114.489 6.611 17.316 1.00 0.00 H new ATOM 0 HB2 ASP A 51 113.314 8.725 16.677 1.00 0.00 H new ATOM 0 HB3 ASP A 51 115.007 9.048 16.993 1.00 0.00 H new ATOM 801 N ILE A 52 114.106 5.501 14.456 1.00 0.00 N ATOM 802 CA ILE A 52 113.170 4.678 13.618 1.00 0.00 C ATOM 803 C ILE A 52 112.686 3.462 14.417 1.00 0.00 C ATOM 804 O ILE A 52 113.474 2.702 14.949 1.00 0.00 O ATOM 805 CB ILE A 52 113.984 4.233 12.388 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.393 5.467 11.572 1.00 0.00 C ATOM 807 CG2 ILE A 52 113.134 3.307 11.505 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.352 5.049 10.452 1.00 0.00 C ATOM 0 H ILE A 52 115.095 5.412 14.222 1.00 0.00 H new ATOM 0 HA ILE A 52 112.286 5.243 13.321 1.00 0.00 H new ATOM 0 HB ILE A 52 114.873 3.699 12.724 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.509 5.944 11.148 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.872 6.201 12.220 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.716 2.996 10.637 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.839 2.428 12.078 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.243 3.839 11.172 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.641 5.927 9.874 1.00 0.00 H new ATOM 0 HD12 ILE A 52 116.241 4.592 10.886 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.857 4.331 9.798 1.00 0.00 H new ATOM 820 N LYS A 53 111.391 3.283 14.500 1.00 0.00 N ATOM 821 CA LYS A 53 110.834 2.023 15.077 1.00 0.00 C ATOM 822 C LYS A 53 110.565 1.010 13.958 1.00 0.00 C ATOM 823 O LYS A 53 110.629 -0.186 14.170 1.00 0.00 O ATOM 824 CB LYS A 53 109.526 2.432 15.758 1.00 0.00 C ATOM 825 CG LYS A 53 108.974 1.252 16.560 1.00 0.00 C ATOM 826 CD LYS A 53 107.634 1.643 17.189 1.00 0.00 C ATOM 827 CE LYS A 53 107.159 0.522 18.116 1.00 0.00 C ATOM 828 NZ LYS A 53 105.719 0.813 18.364 1.00 0.00 N ATOM 0 H LYS A 53 110.693 3.960 14.191 1.00 0.00 H new ATOM 0 HA LYS A 53 111.522 1.552 15.779 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.698 3.284 16.416 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.799 2.749 15.011 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.844 0.386 15.910 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.682 0.964 17.337 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.740 2.572 17.749 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.893 1.824 16.410 1.00 0.00 H new ATOM 0 HE2 LYS A 53 107.290 -0.456 17.653 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.726 0.512 19.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 105.422 0.361 19.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.580 1.841 18.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 105.149 0.440 17.578 1.00 0.00 H new ATOM 842 N ASP A 54 110.271 1.487 12.767 1.00 0.00 N ATOM 843 CA ASP A 54 109.947 0.563 11.630 1.00 0.00 C ATOM 844 C ASP A 54 110.042 1.314 10.297 1.00 0.00 C ATOM 845 O ASP A 54 109.891 2.522 10.245 1.00 0.00 O ATOM 846 CB ASP A 54 108.507 0.096 11.877 1.00 0.00 C ATOM 847 CG ASP A 54 108.504 -1.181 12.723 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.323 -2.045 12.459 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.681 -1.270 13.619 1.00 0.00 O ATOM 0 H ASP A 54 110.242 2.480 12.534 1.00 0.00 H new ATOM 0 HA ASP A 54 110.640 -0.277 11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.945 0.879 12.385 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.008 -0.088 10.925 1.00 0.00 H new ATOM 854 N LEU A 55 110.291 0.604 9.222 1.00 0.00 N ATOM 855 CA LEU A 55 110.416 1.263 7.884 1.00 0.00 C ATOM 856 C LEU A 55 109.598 0.505 6.834 1.00 0.00 C ATOM 857 O LEU A 55 109.444 -0.701 6.909 1.00 0.00 O ATOM 858 CB LEU A 55 111.906 1.195 7.541 1.00 0.00 C ATOM 859 CG LEU A 55 112.699 2.087 8.497 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.193 1.792 8.347 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.438 3.556 8.158 1.00 0.00 C ATOM 0 H LEU A 55 110.413 -0.409 9.215 1.00 0.00 H new ATOM 0 HA LEU A 55 110.044 2.287 7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.258 0.166 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 55 112.067 1.516 6.512 1.00 0.00 H new ATOM 0 HG LEU A 55 112.387 1.887 9.522 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.759 2.427 9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.383 0.745 8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.502 1.993 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 55 113.003 4.192 8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.751 3.754 7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.374 3.770 8.260 1.00 0.00 H new ATOM 873 N ARG A 56 109.076 1.208 5.858 1.00 0.00 N ATOM 874 CA ARG A 56 108.341 0.533 4.745 1.00 0.00 C ATOM 875 C ARG A 56 108.438 1.376 3.466 1.00 0.00 C ATOM 876 O ARG A 56 108.399 2.589 3.519 1.00 0.00 O ATOM 877 CB ARG A 56 106.884 0.432 5.233 1.00 0.00 C ATOM 878 CG ARG A 56 106.234 1.829 5.277 1.00 0.00 C ATOM 879 CD ARG A 56 105.238 1.914 6.438 1.00 0.00 C ATOM 880 NE ARG A 56 104.191 0.886 6.141 1.00 0.00 N ATOM 881 CZ ARG A 56 103.265 1.088 5.221 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.225 2.194 4.514 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.369 0.164 5.007 1.00 0.00 N ATOM 0 H ARG A 56 109.128 2.224 5.785 1.00 0.00 H new ATOM 0 HA ARG A 56 108.751 -0.448 4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.316 -0.220 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.856 -0.020 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 56 107.003 2.592 5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.724 2.030 4.335 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.727 1.712 7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.801 2.910 6.509 1.00 0.00 H new ATOM 0 HE ARG A 56 104.193 0.009 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.921 2.924 4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.498 2.323 3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.389 -0.701 5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.648 0.307 4.300 1.00 0.00 H new ATOM 897 N ILE A 57 108.567 0.746 2.328 1.00 0.00 N ATOM 898 CA ILE A 57 108.499 1.506 1.041 1.00 0.00 C ATOM 899 C ILE A 57 107.035 1.667 0.613 1.00 0.00 C ATOM 900 O ILE A 57 106.270 0.720 0.634 1.00 0.00 O ATOM 901 CB ILE A 57 109.274 0.671 0.009 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.708 0.423 0.501 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.327 1.441 -1.315 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.387 -0.616 -0.395 1.00 0.00 C ATOM 0 H ILE A 57 108.716 -0.258 2.232 1.00 0.00 H new ATOM 0 HA ILE A 57 108.926 2.504 1.136 1.00 0.00 H new ATOM 0 HB ILE A 57 108.772 -0.286 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.274 1.355 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.694 0.074 1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.875 0.857 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.313 1.620 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.831 2.395 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.404 -0.790 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.826 -1.550 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.415 -0.249 -1.421 1.00 0.00 H new ATOM 916 N LEU A 58 106.641 2.858 0.229 1.00 0.00 N ATOM 917 CA LEU A 58 105.214 3.093 -0.158 1.00 0.00 C ATOM 918 C LEU A 58 104.986 2.682 -1.625 1.00 0.00 C ATOM 919 O LEU A 58 105.577 3.266 -2.514 1.00 0.00 O ATOM 920 CB LEU A 58 104.989 4.598 0.007 1.00 0.00 C ATOM 921 CG LEU A 58 104.887 4.944 1.493 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.100 6.449 1.680 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.500 4.558 2.011 1.00 0.00 C ATOM 0 H LEU A 58 107.246 3.677 0.167 1.00 0.00 H new ATOM 0 HA LEU A 58 104.527 2.509 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.810 5.150 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 58 104.077 4.898 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 58 105.648 4.396 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.028 6.698 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.087 6.726 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.337 6.996 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.426 4.804 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.739 5.107 1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.346 3.487 1.876 1.00 0.00 H new ATOM 1736 N SER B 257 111.792 -4.036 2.729 1.00 0.00 N ATOM 1737 CA SER B 257 111.544 -3.038 3.825 1.00 0.00 C ATOM 1738 C SER B 257 112.162 -3.517 5.142 1.00 0.00 C ATOM 1739 O SER B 257 112.702 -2.737 5.905 1.00 0.00 O ATOM 1740 CB SER B 257 110.022 -2.965 3.960 1.00 0.00 C ATOM 1741 OG SER B 257 109.455 -2.618 2.703 1.00 0.00 O ATOM 0 HA SER B 257 111.989 -2.069 3.597 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.629 -3.924 4.297 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.747 -2.226 4.712 1.00 0.00 H new ATOM 0 HG SER B 257 109.951 -3.065 1.986 1.00 0.00 H new ATOM 1747 N SER B 258 112.082 -4.799 5.404 1.00 0.00 N ATOM 1748 CA SER B 258 112.627 -5.343 6.691 1.00 0.00 C ATOM 1749 C SER B 258 114.160 -5.277 6.695 1.00 0.00 C ATOM 1750 O SER B 258 114.777 -5.145 7.735 1.00 0.00 O ATOM 1751 CB SER B 258 112.149 -6.796 6.759 1.00 0.00 C ATOM 1752 OG SER B 258 112.859 -7.576 5.807 1.00 0.00 O ATOM 0 H SER B 258 111.664 -5.493 4.784 1.00 0.00 H new ATOM 0 HA SER B 258 112.284 -4.767 7.551 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.307 -7.195 7.761 1.00 0.00 H new ATOM 0 HB3 SER B 258 111.078 -6.847 6.560 1.00 0.00 H new ATOM 0 HG SER B 258 112.553 -8.506 5.853 1.00 0.00 H new ATOM 1758 N GLN B 259 114.775 -5.369 5.538 1.00 0.00 N ATOM 1759 CA GLN B 259 116.274 -5.319 5.467 1.00 0.00 C ATOM 1760 C GLN B 259 116.788 -3.955 5.939 1.00 0.00 C ATOM 1761 O GLN B 259 117.800 -3.866 6.612 1.00 0.00 O ATOM 1762 CB GLN B 259 116.623 -5.538 3.992 1.00 0.00 C ATOM 1763 CG GLN B 259 116.235 -6.960 3.580 1.00 0.00 C ATOM 1764 CD GLN B 259 116.563 -7.172 2.099 1.00 0.00 C ATOM 1765 OE1 GLN B 259 116.421 -6.271 1.297 1.00 0.00 O ATOM 1766 NE2 GLN B 259 116.997 -8.337 1.700 1.00 0.00 N ATOM 0 H GLN B 259 114.304 -5.477 4.639 1.00 0.00 H new ATOM 0 HA GLN B 259 116.733 -6.072 6.108 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.097 -4.812 3.372 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.690 -5.380 3.833 1.00 0.00 H new ATOM 0 HG2 GLN B 259 116.773 -7.686 4.190 1.00 0.00 H new ATOM 0 HG3 GLN B 259 115.171 -7.123 3.755 1.00 0.00 H new ATOM 0 HE21 GLN B 259 117.117 -9.094 2.373 1.00 0.00 H new ATOM 0 HE22 GLN B 259 117.216 -8.490 0.716 1.00 0.00 H new ATOM 1775 N LEU B 260 116.097 -2.895 5.593 1.00 0.00 N ATOM 1776 CA LEU B 260 116.539 -1.528 6.026 1.00 0.00 C ATOM 1777 C LEU B 260 116.391 -1.379 7.542 1.00 0.00 C ATOM 1778 O LEU B 260 117.270 -0.868 8.210 1.00 0.00 O ATOM 1779 CB LEU B 260 115.615 -0.547 5.299 1.00 0.00 C ATOM 1780 CG LEU B 260 115.933 -0.556 3.803 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.832 0.184 3.042 1.00 0.00 C ATOM 1782 CD2 LEU B 260 117.274 0.143 3.564 1.00 0.00 C ATOM 0 H LEU B 260 115.247 -2.916 5.030 1.00 0.00 H new ATOM 0 HA LEU B 260 117.587 -1.346 5.787 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.573 -0.824 5.461 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.744 0.457 5.703 1.00 0.00 H new ATOM 0 HG LEU B 260 115.990 -1.586 3.450 1.00 0.00 H new ATOM 0 HD11 LEU B 260 115.059 0.177 1.976 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.876 -0.311 3.213 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.775 1.214 3.394 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.502 0.138 2.498 1.00 0.00 H new ATOM 0 HD22 LEU B 260 117.216 1.172 3.917 1.00 0.00 H new ATOM 0 HD23 LEU B 260 118.060 -0.383 4.106 1.00 0.00 H new ATOM 1794 N LEU B 261 115.283 -1.823 8.086 1.00 0.00 N ATOM 1795 CA LEU B 261 115.100 -1.776 9.571 1.00 0.00 C ATOM 1796 C LEU B 261 116.055 -2.767 10.243 1.00 0.00 C ATOM 1797 O LEU B 261 116.573 -2.513 11.315 1.00 0.00 O ATOM 1798 CB LEU B 261 113.643 -2.176 9.819 1.00 0.00 C ATOM 1799 CG LEU B 261 113.285 -1.933 11.288 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.194 -0.428 11.551 1.00 0.00 C ATOM 1801 CD2 LEU B 261 111.936 -2.584 11.598 1.00 0.00 C ATOM 0 H LEU B 261 114.498 -2.216 7.566 1.00 0.00 H new ATOM 0 HA LEU B 261 115.316 -0.790 9.982 1.00 0.00 H new ATOM 0 HB2 LEU B 261 112.982 -1.598 9.173 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.496 -3.226 9.568 1.00 0.00 H new ATOM 0 HG LEU B 261 114.056 -2.368 11.925 1.00 0.00 H new ATOM 0 HD11 LEU B 261 112.939 -0.256 12.597 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.154 0.039 11.330 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.424 0.007 10.914 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.680 -2.412 12.643 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.167 -2.149 10.960 1.00 0.00 H new ATOM 0 HD23 LEU B 261 111.998 -3.656 11.412 1.00 0.00 H new ATOM 1813 N SER B 262 116.286 -3.897 9.614 1.00 0.00 N ATOM 1814 CA SER B 262 117.251 -4.900 10.174 1.00 0.00 C ATOM 1815 C SER B 262 118.661 -4.303 10.249 1.00 0.00 C ATOM 1816 O SER B 262 119.405 -4.570 11.175 1.00 0.00 O ATOM 1817 CB SER B 262 117.226 -6.076 9.194 1.00 0.00 C ATOM 1818 OG SER B 262 117.992 -7.148 9.730 1.00 0.00 O ATOM 0 H SER B 262 115.847 -4.169 8.734 1.00 0.00 H new ATOM 0 HA SER B 262 116.978 -5.204 11.185 1.00 0.00 H new ATOM 0 HB2 SER B 262 116.199 -6.398 9.020 1.00 0.00 H new ATOM 0 HB3 SER B 262 117.632 -5.770 8.230 1.00 0.00 H new ATOM 0 HG SER B 262 117.978 -7.904 9.107 1.00 0.00 H new ATOM 1824 N LEU B 263 119.028 -3.497 9.279 1.00 0.00 N ATOM 1825 CA LEU B 263 120.391 -2.868 9.291 1.00 0.00 C ATOM 1826 C LEU B 263 120.517 -1.908 10.477 1.00 0.00 C ATOM 1827 O LEU B 263 121.502 -1.918 11.193 1.00 0.00 O ATOM 1828 CB LEU B 263 120.497 -2.099 7.971 1.00 0.00 C ATOM 1829 CG LEU B 263 120.706 -3.083 6.817 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.273 -2.429 5.503 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.188 -3.460 6.733 1.00 0.00 C ATOM 0 H LEU B 263 118.444 -3.247 8.481 1.00 0.00 H new ATOM 0 HA LEU B 263 121.182 -3.611 9.391 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.591 -1.516 7.805 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.327 -1.394 8.015 1.00 0.00 H new ATOM 0 HG LEU B 263 120.110 -3.979 6.991 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.422 -3.130 4.681 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.219 -2.157 5.562 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.869 -1.533 5.329 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.339 -4.161 5.912 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.782 -2.563 6.559 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.499 -3.925 7.669 1.00 0.00 H new