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 7 TYR OH : rot 148:sc= -0.187 USER MOD Set 1.2: A 27 ASN : amide:sc= 0.845 K(o=0.58,f=1.7!) USER MOD Set 1.3: A 36 GLN : amide:sc= -0.0792 K(o=0.58,f=1.7) USER MOD Set 2.1: A 17 ASN : amide:sc= -0.838 K(o=-0.84,f=-9.8!) USER MOD Set 2.2: A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 42:sc= 0.167 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.2!) USER MOD Single : A 16 ASN : amide:sc= -1.45 K(o=-1.4,f=-4.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -166:sc= -2.29 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=-0.69) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0487 X(o=-0.049,f=-0.019) USER MOD Single : A 43 SER OG : rot 70:sc= 0.135 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= -0.053 (180deg=-0.255) USER MOD Single : A 46 SER OG : rot 34:sc= 0.748! USER MOD Single : A 49 THR OG1 : rot -90:sc= 0.171 USER MOD Single : A 50 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0324) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00539) USER MOD Single : B 257 SER OG : rot 29:sc= 0.0986 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= -0.0651 X(o=-0.065,f=-0.092) USER MOD Single : B 262 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 122.714 -1.453 0.523 1.00 0.00 N ATOM 45 CA SER A 2 123.070 -0.231 1.306 1.00 0.00 C ATOM 46 C SER A 2 122.041 0.875 1.051 1.00 0.00 C ATOM 47 O SER A 2 121.199 0.758 0.179 1.00 0.00 O ATOM 48 CB SER A 2 124.445 0.186 0.788 1.00 0.00 C ATOM 49 OG SER A 2 125.382 -0.848 1.061 1.00 0.00 O ATOM 0 HA SER A 2 123.080 -0.416 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.400 0.378 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 2 124.760 1.114 1.265 1.00 0.00 H new ATOM 0 HG SER A 2 124.974 -1.718 0.868 1.00 0.00 H new ATOM 55 N VAL A 3 122.104 1.946 1.808 1.00 0.00 N ATOM 56 CA VAL A 3 121.117 3.065 1.626 1.00 0.00 C ATOM 57 C VAL A 3 121.294 3.710 0.244 1.00 0.00 C ATOM 58 O VAL A 3 120.356 4.238 -0.321 1.00 0.00 O ATOM 59 CB VAL A 3 121.418 4.082 2.742 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.416 5.239 2.672 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.301 3.400 4.110 1.00 0.00 C ATOM 0 H VAL A 3 122.795 2.095 2.544 1.00 0.00 H new ATOM 0 HA VAL A 3 120.089 2.708 1.684 1.00 0.00 H new ATOM 0 HB VAL A 3 122.430 4.465 2.609 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.633 5.956 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.497 5.732 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.405 4.853 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.515 4.123 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.290 3.013 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 3 122.015 2.578 4.169 1.00 0.00 H new ATOM 71 N ALA A 4 122.490 3.669 -0.302 1.00 0.00 N ATOM 72 CA ALA A 4 122.733 4.273 -1.657 1.00 0.00 C ATOM 73 C ALA A 4 121.779 3.664 -2.691 1.00 0.00 C ATOM 74 O ALA A 4 121.366 4.319 -3.630 1.00 0.00 O ATOM 75 CB ALA A 4 124.183 3.922 -2.003 1.00 0.00 C ATOM 0 H ALA A 4 123.309 3.243 0.132 1.00 0.00 H new ATOM 0 HA ALA A 4 122.562 5.350 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.433 4.331 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.849 4.346 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.300 2.839 -2.022 1.00 0.00 H new ATOM 81 N ASP A 5 121.434 2.412 -2.516 1.00 0.00 N ATOM 82 CA ASP A 5 120.432 1.767 -3.424 1.00 0.00 C ATOM 83 C ASP A 5 119.046 2.375 -3.188 1.00 0.00 C ATOM 84 O ASP A 5 118.266 2.535 -4.109 1.00 0.00 O ATOM 85 CB ASP A 5 120.435 0.281 -3.051 1.00 0.00 C ATOM 86 CG ASP A 5 121.791 -0.335 -3.403 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.666 -0.317 -2.552 1.00 0.00 O ATOM 88 OD2 ASP A 5 121.932 -0.812 -4.517 1.00 0.00 O ATOM 0 H ASP A 5 121.803 1.807 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 5 120.677 1.916 -4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.236 0.163 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 5 119.639 -0.239 -3.583 1.00 0.00 H new ATOM 93 N PHE A 6 118.740 2.713 -1.959 1.00 0.00 N ATOM 94 CA PHE A 6 117.415 3.336 -1.648 1.00 0.00 C ATOM 95 C PHE A 6 117.527 4.869 -1.557 1.00 0.00 C ATOM 96 O PHE A 6 116.598 5.533 -1.135 1.00 0.00 O ATOM 97 CB PHE A 6 117.015 2.752 -0.292 1.00 0.00 C ATOM 98 CG PHE A 6 116.835 1.252 -0.310 1.00 0.00 C ATOM 99 CD1 PHE A 6 117.934 0.404 -0.032 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.568 0.694 -0.607 1.00 0.00 C ATOM 101 CE1 PHE A 6 117.767 -1.003 -0.050 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.399 -0.712 -0.625 1.00 0.00 C ATOM 103 CZ PHE A 6 116.498 -1.560 -0.346 1.00 0.00 C ATOM 0 H PHE A 6 119.354 2.584 -1.154 1.00 0.00 H new ATOM 0 HA PHE A 6 116.681 3.128 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 6 117.776 3.010 0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.085 3.217 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 6 118.900 0.830 0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.730 1.341 -0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 6 118.606 -1.650 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.432 -1.137 -0.851 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.369 -2.632 -0.359 1.00 0.00 H new ATOM 113 N TYR A 7 118.649 5.434 -1.947 1.00 0.00 N ATOM 114 CA TYR A 7 118.805 6.925 -1.898 1.00 0.00 C ATOM 115 C TYR A 7 117.871 7.582 -2.921 1.00 0.00 C ATOM 116 O TYR A 7 117.866 7.228 -4.086 1.00 0.00 O ATOM 117 CB TYR A 7 120.270 7.176 -2.278 1.00 0.00 C ATOM 118 CG TYR A 7 120.843 8.470 -1.740 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.127 9.685 -1.884 1.00 0.00 C ATOM 120 CD2 TYR A 7 122.112 8.470 -1.110 1.00 0.00 C ATOM 121 CE1 TYR A 7 120.681 10.895 -1.402 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.662 9.681 -0.621 1.00 0.00 C ATOM 123 CZ TYR A 7 121.949 10.894 -0.769 1.00 0.00 C ATOM 124 OH TYR A 7 122.501 12.073 -0.307 1.00 0.00 O ATOM 0 H TYR A 7 119.462 4.927 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 7 118.556 7.339 -0.921 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.875 6.346 -1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 7 120.355 7.179 -3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.158 9.687 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.661 7.546 -1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 7 120.137 11.821 -1.517 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.626 9.678 -0.135 1.00 0.00 H new ATOM 0 HH TYR A 7 123.039 11.891 0.492 1.00 0.00 H new ATOM 134 N GLY A 8 117.083 8.539 -2.489 1.00 0.00 N ATOM 135 CA GLY A 8 116.064 9.154 -3.396 1.00 0.00 C ATOM 136 C GLY A 8 114.794 8.284 -3.454 1.00 0.00 C ATOM 137 O GLY A 8 113.848 8.624 -4.140 1.00 0.00 O ATOM 0 H GLY A 8 117.103 8.921 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.811 10.154 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.481 9.266 -4.397 1.00 0.00 H new ATOM 141 N SER A 9 114.760 7.171 -2.750 1.00 0.00 N ATOM 142 CA SER A 9 113.525 6.324 -2.736 1.00 0.00 C ATOM 143 C SER A 9 112.463 6.942 -1.821 1.00 0.00 C ATOM 144 O SER A 9 112.766 7.413 -0.740 1.00 0.00 O ATOM 145 CB SER A 9 113.973 4.969 -2.185 1.00 0.00 C ATOM 146 OG SER A 9 112.882 4.059 -2.232 1.00 0.00 O ATOM 0 H SER A 9 115.533 6.817 -2.187 1.00 0.00 H new ATOM 0 HA SER A 9 113.081 6.237 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.808 4.584 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.326 5.079 -1.160 1.00 0.00 H new ATOM 0 HG SER A 9 113.166 3.189 -1.881 1.00 0.00 H new ATOM 152 N ASN A 10 111.225 6.943 -2.249 1.00 0.00 N ATOM 153 CA ASN A 10 110.116 7.420 -1.362 1.00 0.00 C ATOM 154 C ASN A 10 109.660 6.284 -0.448 1.00 0.00 C ATOM 155 O ASN A 10 109.207 5.251 -0.906 1.00 0.00 O ATOM 156 CB ASN A 10 108.984 7.827 -2.309 1.00 0.00 C ATOM 157 CG ASN A 10 108.064 8.832 -1.611 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.851 8.753 -0.416 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.504 9.780 -2.311 1.00 0.00 N ATOM 0 H ASN A 10 110.933 6.634 -3.176 1.00 0.00 H new ATOM 0 HA ASN A 10 110.426 8.248 -0.725 1.00 0.00 H new ATOM 0 HB2 ASN A 10 109.397 8.267 -3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 10 108.415 6.947 -2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 10 106.888 10.454 -1.856 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.682 9.847 -3.313 1.00 0.00 H new ATOM 166 N VAL A 11 109.778 6.475 0.840 1.00 0.00 N ATOM 167 CA VAL A 11 109.358 5.412 1.804 1.00 0.00 C ATOM 168 C VAL A 11 108.726 6.059 3.036 1.00 0.00 C ATOM 169 O VAL A 11 108.911 7.237 3.285 1.00 0.00 O ATOM 170 CB VAL A 11 110.641 4.647 2.175 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.224 3.980 0.925 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.684 5.607 2.766 1.00 0.00 C ATOM 0 H VAL A 11 110.148 7.324 1.268 1.00 0.00 H new ATOM 0 HA VAL A 11 108.616 4.737 1.378 1.00 0.00 H new ATOM 0 HB VAL A 11 110.391 3.889 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.132 3.439 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.495 3.283 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.460 4.742 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.586 5.051 3.023 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.928 6.375 2.032 1.00 0.00 H new ATOM 0 HG23 VAL A 11 111.279 6.077 3.662 1.00 0.00 H new ATOM 182 N GLU A 12 107.983 5.303 3.806 1.00 0.00 N ATOM 183 CA GLU A 12 107.370 5.875 5.041 1.00 0.00 C ATOM 184 C GLU A 12 108.053 5.297 6.285 1.00 0.00 C ATOM 185 O GLU A 12 108.203 4.098 6.422 1.00 0.00 O ATOM 186 CB GLU A 12 105.900 5.445 4.984 1.00 0.00 C ATOM 187 CG GLU A 12 105.126 6.084 6.141 1.00 0.00 C ATOM 188 CD GLU A 12 103.685 5.572 6.136 1.00 0.00 C ATOM 189 OE1 GLU A 12 102.978 5.860 5.183 1.00 0.00 O ATOM 190 OE2 GLU A 12 103.311 4.901 7.084 1.00 0.00 O ATOM 0 H GLU A 12 107.776 4.319 3.633 1.00 0.00 H new ATOM 0 HA GLU A 12 107.477 6.958 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.461 5.744 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.827 4.359 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.605 5.843 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.138 7.170 6.044 1.00 0.00 H new ATOM 197 N VAL A 13 108.469 6.150 7.188 1.00 0.00 N ATOM 198 CA VAL A 13 109.157 5.668 8.424 1.00 0.00 C ATOM 199 C VAL A 13 108.219 5.805 9.628 1.00 0.00 C ATOM 200 O VAL A 13 107.671 6.862 9.879 1.00 0.00 O ATOM 201 CB VAL A 13 110.382 6.585 8.582 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.188 6.170 9.819 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.278 6.477 7.341 1.00 0.00 C ATOM 0 H VAL A 13 108.361 7.162 7.122 1.00 0.00 H new ATOM 0 HA VAL A 13 109.445 4.619 8.360 1.00 0.00 H new ATOM 0 HB VAL A 13 110.038 7.613 8.697 1.00 0.00 H new ATOM 0 HG11 VAL A 13 112.054 6.823 9.925 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.561 6.252 10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.523 5.139 9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 13 112.144 7.129 7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.613 5.447 7.223 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.715 6.779 6.458 1.00 0.00 H new ATOM 213 N LEU A 14 108.037 4.741 10.369 1.00 0.00 N ATOM 214 CA LEU A 14 107.237 4.823 11.628 1.00 0.00 C ATOM 215 C LEU A 14 108.188 5.017 12.814 1.00 0.00 C ATOM 216 O LEU A 14 109.112 4.249 13.006 1.00 0.00 O ATOM 217 CB LEU A 14 106.510 3.475 11.722 1.00 0.00 C ATOM 218 CG LEU A 14 105.634 3.433 12.980 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.410 4.329 12.788 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.175 1.994 13.230 1.00 0.00 C ATOM 0 H LEU A 14 108.410 3.816 10.155 1.00 0.00 H new ATOM 0 HA LEU A 14 106.533 5.655 11.636 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.894 3.323 10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.236 2.663 11.748 1.00 0.00 H new ATOM 0 HG LEU A 14 106.211 3.789 13.833 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.791 4.296 13.684 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.734 5.354 12.608 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.831 3.977 11.934 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.552 1.961 14.124 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.600 1.642 12.374 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.046 1.354 13.371 1.00 0.00 H new ATOM 232 N LEU A 15 107.964 6.035 13.606 1.00 0.00 N ATOM 233 CA LEU A 15 108.946 6.380 14.679 1.00 0.00 C ATOM 234 C LEU A 15 108.535 5.767 16.024 1.00 0.00 C ATOM 235 O LEU A 15 107.424 5.300 16.194 1.00 0.00 O ATOM 236 CB LEU A 15 108.929 7.908 14.756 1.00 0.00 C ATOM 237 CG LEU A 15 109.512 8.494 13.468 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.234 9.997 13.419 1.00 0.00 C ATOM 239 CD2 LEU A 15 111.025 8.258 13.438 1.00 0.00 C ATOM 0 H LEU A 15 107.145 6.641 13.556 1.00 0.00 H new ATOM 0 HA LEU A 15 109.939 5.989 14.457 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.909 8.264 14.900 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.508 8.245 15.616 1.00 0.00 H new ATOM 0 HG LEU A 15 109.049 8.009 12.608 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.649 10.414 12.502 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.158 10.169 13.441 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.696 10.481 14.279 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.440 8.675 12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.486 8.743 14.298 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.227 7.187 13.474 1.00 0.00 H new ATOM 251 N ASN A 16 109.439 5.771 16.979 1.00 0.00 N ATOM 252 CA ASN A 16 109.164 5.136 18.316 1.00 0.00 C ATOM 253 C ASN A 16 107.936 5.760 18.999 1.00 0.00 C ATOM 254 O ASN A 16 107.326 5.154 19.859 1.00 0.00 O ATOM 255 CB ASN A 16 110.430 5.390 19.156 1.00 0.00 C ATOM 256 CG ASN A 16 110.706 6.895 19.272 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.882 7.640 19.764 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.840 7.373 18.836 1.00 0.00 N ATOM 0 H ASN A 16 110.365 6.190 16.890 1.00 0.00 H new ATOM 0 HA ASN A 16 108.944 4.074 18.207 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.306 4.959 20.150 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.284 4.892 18.697 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.034 8.372 18.908 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.532 6.748 18.423 1.00 0.00 H new ATOM 265 N ASN A 17 107.575 6.963 18.619 1.00 0.00 N ATOM 266 CA ASN A 17 106.443 7.668 19.302 1.00 0.00 C ATOM 267 C ASN A 17 105.113 7.405 18.570 1.00 0.00 C ATOM 268 O ASN A 17 104.184 8.182 18.677 1.00 0.00 O ATOM 269 CB ASN A 17 106.811 9.162 19.258 1.00 0.00 C ATOM 270 CG ASN A 17 106.898 9.667 17.809 1.00 0.00 C ATOM 271 OD1 ASN A 17 107.015 8.887 16.883 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.844 10.950 17.575 1.00 0.00 N ATOM 0 H ASN A 17 108.016 7.488 17.864 1.00 0.00 H new ATOM 0 HA ASN A 17 106.303 7.317 20.324 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.065 9.740 19.804 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.766 9.320 19.759 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.900 11.297 16.617 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.746 11.606 18.350 1.00 0.00 H new ATOM 279 N ASP A 18 105.022 6.317 17.827 1.00 0.00 N ATOM 280 CA ASP A 18 103.731 5.933 17.152 1.00 0.00 C ATOM 281 C ASP A 18 103.264 7.048 16.204 1.00 0.00 C ATOM 282 O ASP A 18 102.083 7.195 15.949 1.00 0.00 O ATOM 283 CB ASP A 18 102.705 5.713 18.275 1.00 0.00 C ATOM 284 CG ASP A 18 103.151 4.547 19.163 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.615 3.556 18.621 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.023 4.665 20.370 1.00 0.00 O ATOM 0 H ASP A 18 105.795 5.674 17.659 1.00 0.00 H new ATOM 0 HA ASP A 18 103.854 5.033 16.549 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.605 6.620 18.872 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.724 5.503 17.848 1.00 0.00 H new ATOM 291 N SER A 19 104.183 7.832 15.683 1.00 0.00 N ATOM 292 CA SER A 19 103.819 8.829 14.635 1.00 0.00 C ATOM 293 C SER A 19 104.341 8.358 13.276 1.00 0.00 C ATOM 294 O SER A 19 105.390 7.748 13.187 1.00 0.00 O ATOM 295 CB SER A 19 104.513 10.123 15.058 1.00 0.00 C ATOM 296 OG SER A 19 104.060 10.496 16.353 1.00 0.00 O ATOM 0 H SER A 19 105.169 7.820 15.943 1.00 0.00 H new ATOM 0 HA SER A 19 102.741 8.963 14.540 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.594 9.984 15.064 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.297 10.916 14.342 1.00 0.00 H new ATOM 0 HG SER A 19 104.504 11.325 16.629 1.00 0.00 H new ATOM 302 N LYS A 20 103.617 8.636 12.220 1.00 0.00 N ATOM 303 CA LYS A 20 104.024 8.137 10.873 1.00 0.00 C ATOM 304 C LYS A 20 104.507 9.294 9.994 1.00 0.00 C ATOM 305 O LYS A 20 104.032 10.409 10.108 1.00 0.00 O ATOM 306 CB LYS A 20 102.752 7.529 10.281 1.00 0.00 C ATOM 307 CG LYS A 20 102.406 6.238 11.022 1.00 0.00 C ATOM 308 CD LYS A 20 101.125 5.640 10.438 1.00 0.00 C ATOM 309 CE LYS A 20 100.721 4.405 11.247 1.00 0.00 C ATOM 310 NZ LYS A 20 99.433 3.958 10.649 1.00 0.00 N ATOM 0 H LYS A 20 102.760 9.189 12.234 1.00 0.00 H new ATOM 0 HA LYS A 20 104.842 7.419 10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.928 8.238 10.360 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.895 7.324 9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.226 5.525 10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.273 6.441 12.085 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.324 6.379 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.281 5.368 9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.479 3.624 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.603 4.646 12.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.092 3.114 11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.729 4.719 10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.577 3.729 9.645 1.00 0.00 H new ATOM 324 N ALA A 21 105.447 9.030 9.120 1.00 0.00 N ATOM 325 CA ALA A 21 105.912 10.087 8.167 1.00 0.00 C ATOM 326 C ALA A 21 106.457 9.445 6.888 1.00 0.00 C ATOM 327 O ALA A 21 106.908 8.315 6.900 1.00 0.00 O ATOM 328 CB ALA A 21 107.020 10.834 8.910 1.00 0.00 C ATOM 0 H ALA A 21 105.913 8.128 9.025 1.00 0.00 H new ATOM 0 HA ALA A 21 105.105 10.755 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.413 11.628 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.616 11.268 9.825 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.822 10.140 9.161 1.00 0.00 H new ATOM 334 N ARG A 22 106.415 10.158 5.787 1.00 0.00 N ATOM 335 CA ARG A 22 106.963 9.609 4.508 1.00 0.00 C ATOM 336 C ARG A 22 107.649 10.717 3.705 1.00 0.00 C ATOM 337 O ARG A 22 107.281 11.873 3.794 1.00 0.00 O ATOM 338 CB ARG A 22 105.752 9.041 3.751 1.00 0.00 C ATOM 339 CG ARG A 22 104.721 10.146 3.476 1.00 0.00 C ATOM 340 CD ARG A 22 103.423 9.517 2.960 1.00 0.00 C ATOM 341 NE ARG A 22 102.534 10.672 2.608 1.00 0.00 N ATOM 342 CZ ARG A 22 101.234 10.516 2.447 1.00 0.00 C ATOM 343 NH1 ARG A 22 100.659 9.342 2.579 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.502 11.553 2.144 1.00 0.00 N ATOM 0 H ARG A 22 106.024 11.098 5.720 1.00 0.00 H new ATOM 0 HA ARG A 22 107.716 8.840 4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 22 106.079 8.599 2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.292 8.244 4.335 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.526 10.711 4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 22 105.113 10.850 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.610 8.886 2.091 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.964 8.885 3.720 1.00 0.00 H new ATOM 0 HE ARG A 22 102.943 11.599 2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.220 8.523 2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 22 99.652 9.250 2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.936 12.469 2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.496 11.447 2.017 1.00 0.00 H new ATOM 358 N GLY A 23 108.644 10.366 2.928 1.00 0.00 N ATOM 359 CA GLY A 23 109.363 11.392 2.117 1.00 0.00 C ATOM 360 C GLY A 23 110.330 10.690 1.162 1.00 0.00 C ATOM 361 O GLY A 23 110.540 9.495 1.252 1.00 0.00 O ATOM 0 H GLY A 23 108.988 9.412 2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.649 11.994 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.908 12.073 2.770 1.00 0.00 H new ATOM 365 N VAL A 24 110.917 11.426 0.249 1.00 0.00 N ATOM 366 CA VAL A 24 111.936 10.824 -0.667 1.00 0.00 C ATOM 367 C VAL A 24 113.335 11.058 -0.089 1.00 0.00 C ATOM 368 O VAL A 24 113.710 12.174 0.210 1.00 0.00 O ATOM 369 CB VAL A 24 111.772 11.562 -2.008 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.714 10.956 -3.055 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.326 11.430 -2.504 1.00 0.00 C ATOM 0 H VAL A 24 110.734 12.418 0.099 1.00 0.00 H new ATOM 0 HA VAL A 24 111.805 9.749 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 24 112.015 12.614 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.593 11.483 -4.002 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.745 11.052 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.474 9.902 -3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 24 110.218 11.955 -3.453 1.00 0.00 H new ATOM 0 HG22 VAL A 24 110.083 10.376 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.648 11.865 -1.770 1.00 0.00 H new ATOM 381 N ILE A 25 114.107 10.012 0.063 1.00 0.00 N ATOM 382 CA ILE A 25 115.403 10.123 0.818 1.00 0.00 C ATOM 383 C ILE A 25 116.356 11.112 0.127 1.00 0.00 C ATOM 384 O ILE A 25 116.486 11.127 -1.083 1.00 0.00 O ATOM 385 CB ILE A 25 115.978 8.691 0.833 1.00 0.00 C ATOM 386 CG1 ILE A 25 115.180 7.844 1.828 1.00 0.00 C ATOM 387 CG2 ILE A 25 117.457 8.697 1.245 1.00 0.00 C ATOM 388 CD1 ILE A 25 115.417 6.360 1.543 1.00 0.00 C ATOM 0 H ILE A 25 113.900 9.082 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 25 115.263 10.508 1.828 1.00 0.00 H new ATOM 0 HB ILE A 25 115.901 8.273 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 25 115.482 8.082 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 25 114.118 8.075 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.838 7.676 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.030 9.296 0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.555 9.123 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.848 5.758 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.093 6.128 0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.479 6.135 1.645 1.00 0.00 H new ATOM 400 N THR A 26 117.021 11.934 0.907 1.00 0.00 N ATOM 401 CA THR A 26 117.970 12.933 0.334 1.00 0.00 C ATOM 402 C THR A 26 119.391 12.740 0.884 1.00 0.00 C ATOM 403 O THR A 26 120.341 13.210 0.288 1.00 0.00 O ATOM 404 CB THR A 26 117.419 14.301 0.743 1.00 0.00 C ATOM 405 OG1 THR A 26 117.053 14.278 2.116 1.00 0.00 O ATOM 406 CG2 THR A 26 116.193 14.636 -0.110 1.00 0.00 C ATOM 0 H THR A 26 116.943 11.952 1.924 1.00 0.00 H new ATOM 0 HA THR A 26 118.046 12.827 -0.748 1.00 0.00 H new ATOM 0 HB THR A 26 118.186 15.060 0.588 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.504 15.063 2.321 1.00 0.00 H new ATOM 0 HG21 THR A 26 115.802 15.610 0.182 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.477 14.660 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.426 13.877 0.041 1.00 0.00 H new ATOM 414 N ASN A 27 119.563 12.065 2.011 1.00 0.00 N ATOM 415 CA ASN A 27 120.959 11.802 2.505 1.00 0.00 C ATOM 416 C ASN A 27 120.985 10.736 3.607 1.00 0.00 C ATOM 417 O ASN A 27 119.998 10.479 4.266 1.00 0.00 O ATOM 418 CB ASN A 27 121.453 13.143 3.055 1.00 0.00 C ATOM 419 CG ASN A 27 122.978 13.218 2.941 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.554 12.728 1.989 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.661 13.814 3.879 1.00 0.00 N ATOM 0 H ASN A 27 118.813 11.695 2.595 1.00 0.00 H new ATOM 0 HA ASN A 27 121.590 11.421 1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.997 13.964 2.502 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.151 13.253 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.677 13.869 3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.179 14.225 4.678 1.00 0.00 H new ATOM 428 N PHE A 28 122.130 10.118 3.794 1.00 0.00 N ATOM 429 CA PHE A 28 122.330 9.164 4.928 1.00 0.00 C ATOM 430 C PHE A 28 123.802 9.183 5.347 1.00 0.00 C ATOM 431 O PHE A 28 124.682 8.894 4.556 1.00 0.00 O ATOM 432 CB PHE A 28 121.937 7.791 4.376 1.00 0.00 C ATOM 433 CG PHE A 28 122.094 6.669 5.377 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.016 6.319 6.227 1.00 0.00 C ATOM 435 CD2 PHE A 28 123.322 5.968 5.465 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.168 5.268 7.164 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.472 4.918 6.402 1.00 0.00 C ATOM 438 CZ PHE A 28 122.395 4.567 7.252 1.00 0.00 C ATOM 0 H PHE A 28 122.947 10.239 3.196 1.00 0.00 H new ATOM 0 HA PHE A 28 121.737 9.420 5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.900 7.826 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.547 7.573 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.080 6.853 6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.144 6.235 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.347 5.001 7.812 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.408 4.384 6.469 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.510 3.765 7.967 1.00 0.00 H new ATOM 448 N ASP A 29 124.074 9.520 6.583 1.00 0.00 N ATOM 449 CA ASP A 29 125.489 9.610 7.049 1.00 0.00 C ATOM 450 C ASP A 29 125.864 8.318 7.767 1.00 0.00 C ATOM 451 O ASP A 29 125.174 7.894 8.667 1.00 0.00 O ATOM 452 CB ASP A 29 125.516 10.794 8.018 1.00 0.00 C ATOM 453 CG ASP A 29 126.963 11.107 8.403 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.430 10.546 9.381 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.579 11.905 7.716 1.00 0.00 O ATOM 0 H ASP A 29 123.373 9.737 7.291 1.00 0.00 H new ATOM 0 HA ASP A 29 126.196 9.748 6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.055 11.667 7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.934 10.561 8.910 1.00 0.00 H new ATOM 460 N SER A 30 126.944 7.690 7.379 1.00 0.00 N ATOM 461 CA SER A 30 127.297 6.362 7.978 1.00 0.00 C ATOM 462 C SER A 30 127.646 6.511 9.463 1.00 0.00 C ATOM 463 O SER A 30 127.176 5.757 10.294 1.00 0.00 O ATOM 464 CB SER A 30 128.512 5.867 7.191 1.00 0.00 C ATOM 465 OG SER A 30 128.201 5.857 5.803 1.00 0.00 O ATOM 0 H SER A 30 127.597 8.036 6.676 1.00 0.00 H new ATOM 0 HA SER A 30 126.463 5.663 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 30 129.369 6.514 7.379 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.790 4.866 7.520 1.00 0.00 H new ATOM 0 HG SER A 30 128.978 5.542 5.296 1.00 0.00 H new ATOM 471 N SER A 31 128.462 7.482 9.799 1.00 0.00 N ATOM 472 CA SER A 31 128.958 7.604 11.212 1.00 0.00 C ATOM 473 C SER A 31 127.789 7.761 12.192 1.00 0.00 C ATOM 474 O SER A 31 127.732 7.096 13.211 1.00 0.00 O ATOM 475 CB SER A 31 129.836 8.856 11.229 1.00 0.00 C ATOM 476 OG SER A 31 130.836 8.741 10.224 1.00 0.00 O ATOM 0 H SER A 31 128.807 8.196 9.158 1.00 0.00 H new ATOM 0 HA SER A 31 129.507 6.714 11.520 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.228 9.743 11.054 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.300 8.976 12.208 1.00 0.00 H new ATOM 0 HG SER A 31 131.400 9.542 10.230 1.00 0.00 H new ATOM 482 N ASN A 32 126.860 8.635 11.891 1.00 0.00 N ATOM 483 CA ASN A 32 125.711 8.870 12.821 1.00 0.00 C ATOM 484 C ASN A 32 124.408 8.251 12.284 1.00 0.00 C ATOM 485 O ASN A 32 123.387 8.297 12.946 1.00 0.00 O ATOM 486 CB ASN A 32 125.579 10.392 12.899 1.00 0.00 C ATOM 487 CG ASN A 32 126.802 10.980 13.607 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.324 10.393 14.535 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.287 12.124 13.206 1.00 0.00 N ATOM 0 H ASN A 32 126.848 9.197 11.040 1.00 0.00 H new ATOM 0 HA ASN A 32 125.886 8.409 13.793 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.491 10.811 11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.671 10.661 13.438 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.102 12.523 13.671 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.851 12.618 12.428 1.00 0.00 H new ATOM 496 N SER A 33 124.425 7.670 11.095 1.00 0.00 N ATOM 497 CA SER A 33 123.157 7.159 10.460 1.00 0.00 C ATOM 498 C SER A 33 122.053 8.228 10.502 1.00 0.00 C ATOM 499 O SER A 33 121.053 8.079 11.184 1.00 0.00 O ATOM 500 CB SER A 33 122.763 5.925 11.276 1.00 0.00 C ATOM 501 OG SER A 33 123.878 5.047 11.370 1.00 0.00 O ATOM 0 H SER A 33 125.267 7.529 10.537 1.00 0.00 H new ATOM 0 HA SER A 33 123.301 6.914 9.408 1.00 0.00 H new ATOM 0 HB2 SER A 33 122.435 6.223 12.272 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.923 5.415 10.803 1.00 0.00 H new ATOM 0 HG SER A 33 123.629 4.257 11.893 1.00 0.00 H new ATOM 507 N ILE A 34 122.233 9.304 9.774 1.00 0.00 N ATOM 508 CA ILE A 34 121.251 10.433 9.839 1.00 0.00 C ATOM 509 C ILE A 34 120.558 10.575 8.485 1.00 0.00 C ATOM 510 O ILE A 34 121.206 10.713 7.466 1.00 0.00 O ATOM 511 CB ILE A 34 122.083 11.689 10.157 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.929 11.474 11.434 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.151 12.893 10.352 1.00 0.00 C ATOM 514 CD1 ILE A 34 122.035 11.226 12.663 1.00 0.00 C ATOM 0 H ILE A 34 123.017 9.449 9.138 1.00 0.00 H new ATOM 0 HA ILE A 34 120.479 10.272 10.591 1.00 0.00 H new ATOM 0 HB ILE A 34 122.756 11.880 9.321 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.598 10.625 11.291 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.556 12.348 11.609 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.744 13.780 10.577 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.578 13.061 9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.468 12.694 11.178 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.660 11.079 13.544 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.385 12.087 12.819 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.427 10.337 12.497 1.00 0.00 H new ATOM 526 N LEU A 35 119.250 10.552 8.468 1.00 0.00 N ATOM 527 CA LEU A 35 118.515 10.458 7.171 1.00 0.00 C ATOM 528 C LEU A 35 117.686 11.717 6.935 1.00 0.00 C ATOM 529 O LEU A 35 116.800 12.043 7.703 1.00 0.00 O ATOM 530 CB LEU A 35 117.607 9.237 7.328 1.00 0.00 C ATOM 531 CG LEU A 35 116.948 8.908 5.987 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.946 8.167 5.095 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.724 8.022 6.229 1.00 0.00 C ATOM 0 H LEU A 35 118.658 10.594 9.298 1.00 0.00 H new ATOM 0 HA LEU A 35 119.188 10.364 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.187 8.383 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.844 9.434 8.081 1.00 0.00 H new ATOM 0 HG LEU A 35 116.640 9.831 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.476 7.933 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.819 8.797 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.255 7.243 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.252 7.786 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 35 116.034 7.099 6.719 1.00 0.00 H new ATOM 0 HD23 LEU A 35 115.013 8.549 6.865 1.00 0.00 H new ATOM 545 N GLN A 36 117.974 12.422 5.872 1.00 0.00 N ATOM 546 CA GLN A 36 117.090 13.547 5.453 1.00 0.00 C ATOM 547 C GLN A 36 116.039 13.023 4.482 1.00 0.00 C ATOM 548 O GLN A 36 116.358 12.313 3.547 1.00 0.00 O ATOM 549 CB GLN A 36 118.014 14.544 4.753 1.00 0.00 C ATOM 550 CG GLN A 36 118.906 15.227 5.791 1.00 0.00 C ATOM 551 CD GLN A 36 119.799 16.259 5.099 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.361 17.349 4.789 1.00 0.00 O ATOM 553 NE2 GLN A 36 121.043 15.958 4.840 1.00 0.00 N ATOM 0 H GLN A 36 118.786 12.266 5.275 1.00 0.00 H new ATOM 0 HA GLN A 36 116.567 14.007 6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.627 14.030 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.425 15.289 4.218 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.292 15.712 6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.519 14.485 6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.411 15.043 5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.647 16.638 4.378 1.00 0.00 H new ATOM 562 N LEU A 37 114.791 13.359 4.699 1.00 0.00 N ATOM 563 CA LEU A 37 113.726 12.954 3.734 1.00 0.00 C ATOM 564 C LEU A 37 113.071 14.194 3.126 1.00 0.00 C ATOM 565 O LEU A 37 112.564 15.047 3.832 1.00 0.00 O ATOM 566 CB LEU A 37 112.707 12.175 4.570 1.00 0.00 C ATOM 567 CG LEU A 37 113.331 10.869 5.064 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.497 10.311 6.220 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.358 9.851 3.918 1.00 0.00 C ATOM 0 H LEU A 37 114.465 13.896 5.503 1.00 0.00 H new ATOM 0 HA LEU A 37 114.121 12.359 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.383 12.777 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.820 11.962 3.973 1.00 0.00 H new ATOM 0 HG LEU A 37 114.348 11.059 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.941 9.380 6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.475 11.034 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.480 10.121 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.803 8.920 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.341 9.661 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.950 10.247 3.093 1.00 0.00 H new ATOM 581 N ARG A 38 113.081 14.296 1.822 1.00 0.00 N ATOM 582 CA ARG A 38 112.345 15.405 1.142 1.00 0.00 C ATOM 583 C ARG A 38 111.060 14.868 0.500 1.00 0.00 C ATOM 584 O ARG A 38 111.099 14.215 -0.526 1.00 0.00 O ATOM 585 CB ARG A 38 113.310 15.914 0.068 1.00 0.00 C ATOM 586 CG ARG A 38 112.730 17.167 -0.595 1.00 0.00 C ATOM 587 CD ARG A 38 113.672 17.639 -1.705 1.00 0.00 C ATOM 588 NE ARG A 38 113.079 18.920 -2.202 1.00 0.00 N ATOM 589 CZ ARG A 38 113.191 20.045 -1.522 1.00 0.00 C ATOM 590 NH1 ARG A 38 113.816 20.092 -0.366 1.00 0.00 N ATOM 591 NH2 ARG A 38 112.666 21.137 -2.005 1.00 0.00 N ATOM 0 H ARG A 38 113.569 13.656 1.196 1.00 0.00 H new ATOM 0 HA ARG A 38 112.049 16.194 1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.278 16.142 0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.478 15.139 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.745 16.950 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 38 112.599 17.956 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.682 17.793 -1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.741 16.901 -2.504 1.00 0.00 H new ATOM 0 HE ARG A 38 112.575 18.923 -3.089 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.229 19.245 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 38 113.888 20.975 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.176 21.115 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 38 112.746 22.013 -1.489 1.00 0.00 H new ATOM 605 N LEU A 39 109.928 15.141 1.097 1.00 0.00 N ATOM 606 CA LEU A 39 108.641 14.582 0.574 1.00 0.00 C ATOM 607 C LEU A 39 108.097 15.452 -0.571 1.00 0.00 C ATOM 608 O LEU A 39 108.416 16.625 -0.683 1.00 0.00 O ATOM 609 CB LEU A 39 107.698 14.583 1.789 1.00 0.00 C ATOM 610 CG LEU A 39 106.289 14.088 1.416 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.331 12.650 0.885 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.420 14.120 2.671 1.00 0.00 C ATOM 0 H LEU A 39 109.838 15.728 1.926 1.00 0.00 H new ATOM 0 HA LEU A 39 108.755 13.583 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.112 13.947 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.633 15.591 2.199 1.00 0.00 H new ATOM 0 HG LEU A 39 105.884 14.734 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.322 12.327 0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.961 12.608 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.740 11.991 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.416 13.772 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.854 13.471 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.368 15.140 3.052 1.00 0.00 H new ATOM 624 N ALA A 40 107.268 14.875 -1.414 1.00 0.00 N ATOM 625 CA ALA A 40 106.840 15.568 -2.677 1.00 0.00 C ATOM 626 C ALA A 40 105.954 16.794 -2.396 1.00 0.00 C ATOM 627 O ALA A 40 105.567 17.497 -3.313 1.00 0.00 O ATOM 628 CB ALA A 40 106.051 14.518 -3.463 1.00 0.00 C ATOM 0 H ALA A 40 106.867 13.947 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 40 107.705 15.944 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.704 14.951 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.693 13.663 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.193 14.192 -2.875 1.00 0.00 H new ATOM 634 N ASN A 41 105.627 17.062 -1.152 1.00 0.00 N ATOM 635 CA ASN A 41 104.888 18.322 -0.818 1.00 0.00 C ATOM 636 C ASN A 41 105.869 19.489 -0.597 1.00 0.00 C ATOM 637 O ASN A 41 105.586 20.397 0.161 1.00 0.00 O ATOM 638 CB ASN A 41 104.130 18.011 0.477 1.00 0.00 C ATOM 639 CG ASN A 41 103.040 16.976 0.194 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.971 15.954 0.848 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.177 17.198 -0.760 1.00 0.00 N ATOM 0 H ASN A 41 105.840 16.463 -0.355 1.00 0.00 H new ATOM 0 HA ASN A 41 104.219 18.623 -1.624 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.819 17.632 1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.686 18.922 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 41 101.446 16.514 -0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 41 102.234 18.055 -1.310 1.00 0.00 H new ATOM 648 N ASP A 42 107.027 19.473 -1.249 1.00 0.00 N ATOM 649 CA ASP A 42 107.996 20.622 -1.160 1.00 0.00 C ATOM 650 C ASP A 42 108.439 20.832 0.294 1.00 0.00 C ATOM 651 O ASP A 42 108.721 21.944 0.705 1.00 0.00 O ATOM 652 CB ASP A 42 107.250 21.862 -1.684 1.00 0.00 C ATOM 653 CG ASP A 42 106.859 21.652 -3.150 1.00 0.00 C ATOM 654 OD1 ASP A 42 107.673 21.121 -3.891 1.00 0.00 O ATOM 655 OD2 ASP A 42 105.755 22.025 -3.508 1.00 0.00 O ATOM 0 H ASP A 42 107.338 18.703 -1.842 1.00 0.00 H new ATOM 0 HA ASP A 42 108.894 20.430 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 42 106.359 22.042 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 42 107.882 22.745 -1.590 1.00 0.00 H new ATOM 660 N SER A 43 108.504 19.773 1.075 1.00 0.00 N ATOM 661 CA SER A 43 108.974 19.906 2.487 1.00 0.00 C ATOM 662 C SER A 43 110.125 18.934 2.752 1.00 0.00 C ATOM 663 O SER A 43 110.151 17.835 2.229 1.00 0.00 O ATOM 664 CB SER A 43 107.759 19.550 3.344 1.00 0.00 C ATOM 665 OG SER A 43 106.724 20.495 3.108 1.00 0.00 O ATOM 0 H SER A 43 108.251 18.826 0.791 1.00 0.00 H new ATOM 0 HA SER A 43 109.347 20.906 2.708 1.00 0.00 H new ATOM 0 HB2 SER A 43 107.412 18.545 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.032 19.548 4.399 1.00 0.00 H new ATOM 0 HG SER A 43 106.361 20.364 2.207 1.00 0.00 H new ATOM 671 N THR A 44 111.075 19.333 3.561 1.00 0.00 N ATOM 672 CA THR A 44 112.231 18.439 3.879 1.00 0.00 C ATOM 673 C THR A 44 112.406 18.332 5.398 1.00 0.00 C ATOM 674 O THR A 44 112.130 19.267 6.127 1.00 0.00 O ATOM 675 CB THR A 44 113.454 19.097 3.218 1.00 0.00 C ATOM 676 OG1 THR A 44 114.606 18.298 3.460 1.00 0.00 O ATOM 677 CG2 THR A 44 113.681 20.505 3.783 1.00 0.00 C ATOM 0 H THR A 44 111.099 20.245 4.017 1.00 0.00 H new ATOM 0 HA THR A 44 112.086 17.424 3.509 1.00 0.00 H new ATOM 0 HB THR A 44 113.274 19.176 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 44 115.387 18.714 3.038 1.00 0.00 H new ATOM 0 HG21 THR A 44 114.551 20.954 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.802 21.120 3.590 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.852 20.443 4.858 1.00 0.00 H new ATOM 685 N LYS A 45 112.863 17.200 5.873 1.00 0.00 N ATOM 686 CA LYS A 45 113.003 17.005 7.349 1.00 0.00 C ATOM 687 C LYS A 45 114.150 16.037 7.656 1.00 0.00 C ATOM 688 O LYS A 45 114.231 14.960 7.093 1.00 0.00 O ATOM 689 CB LYS A 45 111.662 16.420 7.795 1.00 0.00 C ATOM 690 CG LYS A 45 111.609 16.354 9.325 1.00 0.00 C ATOM 691 CD LYS A 45 110.174 16.063 9.780 1.00 0.00 C ATOM 692 CE LYS A 45 109.775 14.632 9.387 1.00 0.00 C ATOM 693 NZ LYS A 45 108.902 14.784 8.188 1.00 0.00 N ATOM 0 H LYS A 45 113.145 16.403 5.303 1.00 0.00 H new ATOM 0 HA LYS A 45 113.236 17.934 7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 45 110.844 17.034 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.531 15.423 7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.281 15.576 9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.952 17.297 9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 45 110.094 16.187 10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 45 109.488 16.778 9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 45 110.653 14.027 9.161 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.245 14.134 10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.075 13.997 7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.904 14.777 8.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.117 15.684 7.714 1.00 0.00 H new ATOM 707 N SER A 46 115.035 16.417 8.548 1.00 0.00 N ATOM 708 CA SER A 46 116.181 15.528 8.908 1.00 0.00 C ATOM 709 C SER A 46 115.853 14.717 10.165 1.00 0.00 C ATOM 710 O SER A 46 115.536 15.269 11.203 1.00 0.00 O ATOM 711 CB SER A 46 117.350 16.475 9.174 1.00 0.00 C ATOM 712 OG SER A 46 117.082 17.235 10.345 1.00 0.00 O ATOM 0 H SER A 46 115.011 17.309 9.043 1.00 0.00 H new ATOM 0 HA SER A 46 116.407 14.811 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.272 15.907 9.298 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.497 17.138 8.322 1.00 0.00 H new ATOM 0 HG SER A 46 116.581 16.686 10.984 1.00 0.00 H new ATOM 718 N ILE A 47 115.927 13.410 10.075 1.00 0.00 N ATOM 719 CA ILE A 47 115.673 12.548 11.272 1.00 0.00 C ATOM 720 C ILE A 47 116.827 11.553 11.430 1.00 0.00 C ATOM 721 O ILE A 47 117.302 10.988 10.462 1.00 0.00 O ATOM 722 CB ILE A 47 114.348 11.818 10.989 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.222 12.842 10.783 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.987 10.915 12.176 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.984 12.143 10.211 1.00 0.00 C ATOM 0 H ILE A 47 116.153 12.902 9.220 1.00 0.00 H new ATOM 0 HA ILE A 47 115.608 13.123 12.196 1.00 0.00 H new ATOM 0 HB ILE A 47 114.465 11.214 10.089 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.975 13.321 11.731 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.553 13.629 10.105 1.00 0.00 H new ATOM 0 HG21 ILE A 47 113.048 10.401 11.970 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.777 10.180 12.328 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.879 11.522 13.075 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.188 12.873 10.067 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.234 11.685 9.254 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.648 11.373 10.905 1.00 0.00 H new ATOM 737 N VAL A 48 117.277 11.335 12.642 1.00 0.00 N ATOM 738 CA VAL A 48 118.369 10.337 12.868 1.00 0.00 C ATOM 739 C VAL A 48 117.760 8.926 12.926 1.00 0.00 C ATOM 740 O VAL A 48 116.837 8.673 13.671 1.00 0.00 O ATOM 741 CB VAL A 48 119.008 10.734 14.214 1.00 0.00 C ATOM 742 CG1 VAL A 48 120.147 9.764 14.563 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.556 12.171 14.130 1.00 0.00 C ATOM 0 H VAL A 48 116.937 11.803 13.482 1.00 0.00 H new ATOM 0 HA VAL A 48 119.114 10.330 12.072 1.00 0.00 H new ATOM 0 HB VAL A 48 118.248 10.685 14.994 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.592 10.053 15.515 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.752 8.751 14.640 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.907 9.799 13.782 1.00 0.00 H new ATOM 0 HG21 VAL A 48 120.006 12.445 15.084 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.309 12.228 13.344 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.741 12.858 13.902 1.00 0.00 H new ATOM 753 N THR A 49 118.279 8.012 12.142 1.00 0.00 N ATOM 754 CA THR A 49 117.599 6.683 11.954 1.00 0.00 C ATOM 755 C THR A 49 117.412 5.942 13.282 1.00 0.00 C ATOM 756 O THR A 49 116.530 5.115 13.418 1.00 0.00 O ATOM 757 CB THR A 49 118.528 5.881 11.035 1.00 0.00 C ATOM 758 OG1 THR A 49 119.826 5.826 11.610 1.00 0.00 O ATOM 759 CG2 THR A 49 118.603 6.551 9.661 1.00 0.00 C ATOM 0 H THR A 49 119.148 8.126 11.620 1.00 0.00 H new ATOM 0 HA THR A 49 116.601 6.815 11.536 1.00 0.00 H new ATOM 0 HB THR A 49 118.137 4.870 10.918 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.357 6.585 11.291 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.264 5.977 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.607 6.590 9.220 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.991 7.564 9.771 1.00 0.00 H new ATOM 767 N LYS A 50 118.235 6.232 14.258 1.00 0.00 N ATOM 768 CA LYS A 50 118.153 5.499 15.566 1.00 0.00 C ATOM 769 C LYS A 50 116.752 5.625 16.179 1.00 0.00 C ATOM 770 O LYS A 50 116.321 4.767 16.927 1.00 0.00 O ATOM 771 CB LYS A 50 119.200 6.161 16.471 1.00 0.00 C ATOM 772 CG LYS A 50 119.332 5.379 17.784 1.00 0.00 C ATOM 773 CD LYS A 50 120.089 6.229 18.807 1.00 0.00 C ATOM 774 CE LYS A 50 120.377 5.391 20.056 1.00 0.00 C ATOM 775 NZ LYS A 50 121.629 4.649 19.740 1.00 0.00 N ATOM 0 H LYS A 50 118.962 6.945 14.209 1.00 0.00 H new ATOM 0 HA LYS A 50 118.340 4.433 15.440 1.00 0.00 H new ATOM 0 HB2 LYS A 50 120.163 6.196 15.961 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.912 7.191 16.680 1.00 0.00 H new ATOM 0 HG2 LYS A 50 118.345 5.122 18.168 1.00 0.00 H new ATOM 0 HG3 LYS A 50 119.861 4.442 17.611 1.00 0.00 H new ATOM 0 HD2 LYS A 50 121.022 6.590 18.376 1.00 0.00 H new ATOM 0 HD3 LYS A 50 119.500 7.107 19.073 1.00 0.00 H new ATOM 0 HE2 LYS A 50 120.504 6.023 20.935 1.00 0.00 H new ATOM 0 HE3 LYS A 50 119.556 4.707 20.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 121.586 3.700 20.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 121.732 4.565 18.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 122.445 5.164 20.128 1.00 0.00 H new ATOM 789 N ASP A 51 116.043 6.684 15.868 1.00 0.00 N ATOM 790 CA ASP A 51 114.640 6.814 16.379 1.00 0.00 C ATOM 791 C ASP A 51 113.639 6.089 15.460 1.00 0.00 C ATOM 792 O ASP A 51 112.440 6.204 15.646 1.00 0.00 O ATOM 793 CB ASP A 51 114.347 8.324 16.447 1.00 0.00 C ATOM 794 CG ASP A 51 114.466 8.979 15.064 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.896 8.456 14.122 1.00 0.00 O ATOM 796 OD2 ASP A 51 115.125 10.003 14.976 1.00 0.00 O ATOM 0 H ASP A 51 116.370 7.457 15.288 1.00 0.00 H new ATOM 0 HA ASP A 51 114.535 6.350 17.359 1.00 0.00 H new ATOM 0 HB2 ASP A 51 113.344 8.484 16.842 1.00 0.00 H new ATOM 0 HB3 ASP A 51 115.042 8.801 17.138 1.00 0.00 H new ATOM 801 N ILE A 52 114.108 5.349 14.474 1.00 0.00 N ATOM 802 CA ILE A 52 113.162 4.545 13.630 1.00 0.00 C ATOM 803 C ILE A 52 112.683 3.315 14.411 1.00 0.00 C ATOM 804 O ILE A 52 113.475 2.533 14.902 1.00 0.00 O ATOM 805 CB ILE A 52 113.961 4.124 12.383 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.356 5.370 11.581 1.00 0.00 C ATOM 807 CG2 ILE A 52 113.103 3.209 11.494 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.311 4.974 10.447 1.00 0.00 C ATOM 0 H ILE A 52 115.093 5.269 14.222 1.00 0.00 H new ATOM 0 HA ILE A 52 112.276 5.117 13.353 1.00 0.00 H new ATOM 0 HB ILE A 52 114.855 3.588 12.701 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.466 5.847 11.170 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.835 6.099 12.235 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.676 2.916 10.614 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.819 2.319 12.055 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.206 3.743 11.182 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.590 5.862 9.879 1.00 0.00 H new ATOM 0 HD12 ILE A 52 116.206 4.517 10.868 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.816 4.262 9.787 1.00 0.00 H new ATOM 820 N LYS A 53 111.388 3.149 14.524 1.00 0.00 N ATOM 821 CA LYS A 53 110.833 1.881 15.083 1.00 0.00 C ATOM 822 C LYS A 53 110.547 0.895 13.944 1.00 0.00 C ATOM 823 O LYS A 53 110.649 -0.304 14.117 1.00 0.00 O ATOM 824 CB LYS A 53 109.535 2.283 15.789 1.00 0.00 C ATOM 825 CG LYS A 53 108.976 1.084 16.559 1.00 0.00 C ATOM 826 CD LYS A 53 107.655 1.475 17.224 1.00 0.00 C ATOM 827 CE LYS A 53 107.161 0.322 18.101 1.00 0.00 C ATOM 828 NZ LYS A 53 106.443 -0.590 17.167 1.00 0.00 N ATOM 0 H LYS A 53 110.690 3.841 14.251 1.00 0.00 H new ATOM 0 HA LYS A 53 111.525 1.391 15.768 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.722 3.111 16.472 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.805 2.631 15.059 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.820 0.244 15.882 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.692 0.757 17.313 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.792 2.372 17.828 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.910 1.713 16.465 1.00 0.00 H new ATOM 0 HE2 LYS A 53 107.992 -0.187 18.589 1.00 0.00 H new ATOM 0 HE3 LYS A 53 106.499 0.681 18.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 106.031 -1.381 17.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.685 -0.066 16.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 107.111 -0.961 16.462 1.00 0.00 H new ATOM 842 N ASP A 54 110.199 1.398 12.780 1.00 0.00 N ATOM 843 CA ASP A 54 109.826 0.498 11.641 1.00 0.00 C ATOM 844 C ASP A 54 109.922 1.261 10.314 1.00 0.00 C ATOM 845 O ASP A 54 109.783 2.470 10.274 1.00 0.00 O ATOM 846 CB ASP A 54 108.377 0.071 11.904 1.00 0.00 C ATOM 847 CG ASP A 54 108.344 -1.213 12.738 1.00 0.00 C ATOM 848 OD1 ASP A 54 108.320 -1.110 13.953 1.00 0.00 O ATOM 849 OD2 ASP A 54 108.343 -2.280 12.145 1.00 0.00 O ATOM 0 H ASP A 54 110.158 2.395 12.571 1.00 0.00 H new ATOM 0 HA ASP A 54 110.491 -0.363 11.571 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.846 0.866 12.427 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.860 -0.089 10.958 1.00 0.00 H new ATOM 854 N LEU A 55 110.159 0.557 9.232 1.00 0.00 N ATOM 855 CA LEU A 55 110.283 1.226 7.898 1.00 0.00 C ATOM 856 C LEU A 55 109.451 0.485 6.846 1.00 0.00 C ATOM 857 O LEU A 55 109.259 -0.714 6.929 1.00 0.00 O ATOM 858 CB LEU A 55 111.771 1.145 7.547 1.00 0.00 C ATOM 859 CG LEU A 55 112.581 2.010 8.512 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.069 1.697 8.349 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.339 3.488 8.201 1.00 0.00 C ATOM 0 H LEU A 55 110.272 -0.457 9.216 1.00 0.00 H new ATOM 0 HA LEU A 55 109.921 2.254 7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.110 0.110 7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.931 1.481 6.522 1.00 0.00 H new ATOM 0 HG LEU A 55 112.271 1.797 9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.648 2.313 9.037 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.246 0.644 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.376 1.910 7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.917 4.104 8.890 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.648 3.700 7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.279 3.715 8.314 1.00 0.00 H new ATOM 873 N ARG A 56 108.960 1.196 5.861 1.00 0.00 N ATOM 874 CA ARG A 56 108.229 0.535 4.735 1.00 0.00 C ATOM 875 C ARG A 56 108.365 1.377 3.460 1.00 0.00 C ATOM 876 O ARG A 56 108.322 2.591 3.512 1.00 0.00 O ATOM 877 CB ARG A 56 106.764 0.463 5.200 1.00 0.00 C ATOM 878 CG ARG A 56 106.135 1.869 5.222 1.00 0.00 C ATOM 879 CD ARG A 56 105.111 1.976 6.355 1.00 0.00 C ATOM 880 NE ARG A 56 104.060 0.956 6.042 1.00 0.00 N ATOM 881 CZ ARG A 56 103.159 1.158 5.098 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.149 2.257 4.379 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.259 0.240 4.871 1.00 0.00 N ATOM 0 H ARG A 56 109.034 2.211 5.788 1.00 0.00 H new ATOM 0 HA ARG A 56 108.622 -0.454 4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.196 -0.185 4.533 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.713 0.020 6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.913 2.621 5.354 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.653 2.074 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.574 1.779 7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.684 2.977 6.404 1.00 0.00 H new ATOM 0 HE ARG A 56 104.040 0.084 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.849 2.980 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.441 2.387 3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.258 -0.620 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.557 0.383 4.145 1.00 0.00 H new ATOM 897 N ILE A 57 108.530 0.749 2.326 1.00 0.00 N ATOM 898 CA ILE A 57 108.548 1.517 1.042 1.00 0.00 C ATOM 899 C ILE A 57 107.114 1.723 0.538 1.00 0.00 C ATOM 900 O ILE A 57 106.322 0.798 0.512 1.00 0.00 O ATOM 901 CB ILE A 57 109.352 0.670 0.042 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.733 0.323 0.623 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.546 1.482 -1.242 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.417 -0.718 -0.266 1.00 0.00 C ATOM 0 H ILE A 57 108.653 -0.259 2.231 1.00 0.00 H new ATOM 0 HA ILE A 57 108.997 2.502 1.170 1.00 0.00 H new ATOM 0 HB ILE A 57 108.810 -0.253 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.348 1.221 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.626 -0.064 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 57 110.115 0.894 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.573 1.731 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 57 110.088 2.400 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.396 -0.963 0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.805 -1.619 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.538 -0.315 -1.271 1.00 0.00 H new ATOM 916 N LEU A 58 106.779 2.927 0.139 1.00 0.00 N ATOM 917 CA LEU A 58 105.389 3.203 -0.346 1.00 0.00 C ATOM 918 C LEU A 58 105.256 2.798 -1.822 1.00 0.00 C ATOM 919 O LEU A 58 106.249 2.681 -2.513 1.00 0.00 O ATOM 920 CB LEU A 58 105.194 4.713 -0.183 1.00 0.00 C ATOM 921 CG LEU A 58 105.187 5.074 1.303 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.304 6.590 1.461 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.877 4.596 1.936 1.00 0.00 C ATOM 0 H LEU A 58 107.408 3.730 0.128 1.00 0.00 H new ATOM 0 HA LEU A 58 104.640 2.639 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.993 5.250 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 58 104.257 5.021 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 58 106.030 4.591 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.299 6.847 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.235 6.932 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.462 7.073 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.870 4.852 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 58 103.035 5.080 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.792 3.515 1.824 1.00 0.00 H new ATOM 1736 N SER B 257 111.170 -4.103 3.067 1.00 0.00 N ATOM 1737 CA SER B 257 111.045 -3.084 4.165 1.00 0.00 C ATOM 1738 C SER B 257 111.759 -3.569 5.430 1.00 0.00 C ATOM 1739 O SER B 257 112.346 -2.793 6.162 1.00 0.00 O ATOM 1740 CB SER B 257 109.542 -2.964 4.427 1.00 0.00 C ATOM 1741 OG SER B 257 108.888 -2.552 3.235 1.00 0.00 O ATOM 0 HA SER B 257 111.495 -2.131 3.887 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.142 -3.921 4.762 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.357 -2.244 5.224 1.00 0.00 H new ATOM 0 HG SER B 257 109.392 -2.873 2.458 1.00 0.00 H new ATOM 1747 N SER B 258 111.707 -4.854 5.683 1.00 0.00 N ATOM 1748 CA SER B 258 112.375 -5.418 6.898 1.00 0.00 C ATOM 1749 C SER B 258 113.899 -5.338 6.754 1.00 0.00 C ATOM 1750 O SER B 258 114.612 -5.182 7.728 1.00 0.00 O ATOM 1751 CB SER B 258 111.921 -6.877 6.974 1.00 0.00 C ATOM 1752 OG SER B 258 110.501 -6.927 6.982 1.00 0.00 O ATOM 0 H SER B 258 111.229 -5.539 5.098 1.00 0.00 H new ATOM 0 HA SER B 258 112.110 -4.865 7.800 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.311 -7.436 6.124 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.318 -7.347 7.874 1.00 0.00 H new ATOM 0 HG SER B 258 110.207 -7.861 7.029 1.00 0.00 H new ATOM 1758 N GLN B 259 114.400 -5.445 5.544 1.00 0.00 N ATOM 1759 CA GLN B 259 115.885 -5.406 5.329 1.00 0.00 C ATOM 1760 C GLN B 259 116.456 -4.051 5.768 1.00 0.00 C ATOM 1761 O GLN B 259 117.519 -3.983 6.359 1.00 0.00 O ATOM 1762 CB GLN B 259 116.085 -5.606 3.824 1.00 0.00 C ATOM 1763 CG GLN B 259 117.569 -5.837 3.530 1.00 0.00 C ATOM 1764 CD GLN B 259 117.966 -7.244 3.980 1.00 0.00 C ATOM 1765 OE1 GLN B 259 117.443 -8.223 3.483 1.00 0.00 O ATOM 1766 NE2 GLN B 259 118.873 -7.388 4.906 1.00 0.00 N ATOM 0 H GLN B 259 113.845 -5.558 4.696 1.00 0.00 H new ATOM 0 HA GLN B 259 116.398 -6.171 5.912 1.00 0.00 H new ATOM 0 HB2 GLN B 259 115.499 -6.458 3.479 1.00 0.00 H new ATOM 0 HB3 GLN B 259 115.728 -4.732 3.280 1.00 0.00 H new ATOM 0 HG2 GLN B 259 117.762 -5.717 2.464 1.00 0.00 H new ATOM 0 HG3 GLN B 259 118.173 -5.094 4.050 1.00 0.00 H new ATOM 0 HE21 GLN B 259 119.311 -6.567 5.323 1.00 0.00 H new ATOM 0 HE22 GLN B 259 119.144 -8.322 5.214 1.00 0.00 H new ATOM 1775 N LEU B 260 115.757 -2.979 5.482 1.00 0.00 N ATOM 1776 CA LEU B 260 116.255 -1.623 5.882 1.00 0.00 C ATOM 1777 C LEU B 260 116.208 -1.468 7.403 1.00 0.00 C ATOM 1778 O LEU B 260 117.130 -0.954 8.010 1.00 0.00 O ATOM 1779 CB LEU B 260 115.309 -0.622 5.212 1.00 0.00 C ATOM 1780 CG LEU B 260 115.459 -0.708 3.691 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.327 0.073 3.021 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.804 -0.106 3.277 1.00 0.00 C ATOM 0 H LEU B 260 114.864 -2.983 4.989 1.00 0.00 H new ATOM 0 HA LEU B 260 117.289 -1.465 5.576 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.279 -0.833 5.498 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.533 0.389 5.553 1.00 0.00 H new ATOM 0 HG LEU B 260 115.415 -1.752 3.381 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.434 0.012 1.938 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.368 -0.352 3.316 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.372 1.117 3.331 1.00 0.00 H new ATOM 0 HD21 LEU B 260 116.912 -0.167 2.194 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.847 0.938 3.588 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.613 -0.660 3.754 1.00 0.00 H new ATOM 1794 N LEU B 261 115.139 -1.909 8.022 1.00 0.00 N ATOM 1795 CA LEU B 261 115.046 -1.833 9.515 1.00 0.00 C ATOM 1796 C LEU B 261 116.037 -2.814 10.146 1.00 0.00 C ATOM 1797 O LEU B 261 116.624 -2.538 11.175 1.00 0.00 O ATOM 1798 CB LEU B 261 113.603 -2.224 9.856 1.00 0.00 C ATOM 1799 CG LEU B 261 113.297 -1.848 11.308 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.209 -0.326 11.438 1.00 0.00 C ATOM 1801 CD2 LEU B 261 111.960 -2.470 11.724 1.00 0.00 C ATOM 0 H LEU B 261 114.328 -2.318 7.559 1.00 0.00 H new ATOM 0 HA LEU B 261 115.289 -0.840 9.895 1.00 0.00 H new ATOM 0 HB2 LEU B 261 112.910 -1.717 9.185 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.462 -3.295 9.710 1.00 0.00 H new ATOM 0 HG LEU B 261 114.092 -2.222 11.953 1.00 0.00 H new ATOM 0 HD11 LEU B 261 112.991 -0.061 12.473 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.158 0.120 11.142 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.415 0.049 10.793 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.741 -2.203 12.758 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.167 -2.095 11.076 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.020 -3.555 11.634 1.00 0.00 H new ATOM 1813 N SER B 262 116.223 -3.958 9.530 1.00 0.00 N ATOM 1814 CA SER B 262 117.229 -4.947 10.043 1.00 0.00 C ATOM 1815 C SER B 262 118.640 -4.347 9.999 1.00 0.00 C ATOM 1816 O SER B 262 119.448 -4.581 10.879 1.00 0.00 O ATOM 1817 CB SER B 262 117.136 -6.147 9.099 1.00 0.00 C ATOM 1818 OG SER B 262 117.948 -7.202 9.598 1.00 0.00 O ATOM 0 H SER B 262 115.721 -4.251 8.692 1.00 0.00 H new ATOM 0 HA SER B 262 117.031 -5.225 11.078 1.00 0.00 H new ATOM 0 HB2 SER B 262 116.101 -6.478 9.014 1.00 0.00 H new ATOM 0 HB3 SER B 262 117.463 -5.863 8.099 1.00 0.00 H new ATOM 0 HG SER B 262 117.889 -7.973 8.996 1.00 0.00 H new ATOM 1824 N LEU B 263 118.935 -3.576 8.978 1.00 0.00 N ATOM 1825 CA LEU B 263 120.292 -2.945 8.871 1.00 0.00 C ATOM 1826 C LEU B 263 120.507 -1.949 10.015 1.00 0.00 C ATOM 1827 O LEU B 263 121.572 -1.887 10.602 1.00 0.00 O ATOM 1828 CB LEU B 263 120.300 -2.217 7.523 1.00 0.00 C ATOM 1829 CG LEU B 263 120.410 -3.240 6.390 1.00 0.00 C ATOM 1830 CD1 LEU B 263 119.931 -2.609 5.081 1.00 0.00 C ATOM 1831 CD2 LEU B 263 121.869 -3.676 6.240 1.00 0.00 C ATOM 0 H LEU B 263 118.296 -3.356 8.214 1.00 0.00 H new ATOM 0 HA LEU B 263 121.089 -3.685 8.936 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.389 -1.630 7.410 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.136 -1.519 7.480 1.00 0.00 H new ATOM 0 HG LEU B 263 119.791 -4.107 6.622 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.010 -3.339 4.275 1.00 0.00 H new ATOM 0 HD12 LEU B 263 118.892 -2.296 5.187 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.549 -1.742 4.847 1.00 0.00 H new ATOM 0 HD21 LEU B 263 121.950 -4.405 5.433 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.486 -2.808 6.008 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.212 -4.126 7.172 1.00 0.00 H new