USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 ASN : amide:sc= -0.766 K(o=-0.77,f=-9.8!) USER MOD Set 1.2: A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 35:sc= 0.136 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 9 SER OG : rot -160:sc= -0.571 USER MOD Single : A 10 ASN : amide:sc= -5.72! C(o=-5.7!,f=-6.6!) USER MOD Single : A 16 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -2.47 USER MOD Single : A 27 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00289 USER MOD Single : A 32 ASN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 33 SER OG : rot -52:sc= 0.0337 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 41 ASN : amide:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 43 SER OG : rot 70:sc= 0.335 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 13:sc= 0.905 USER MOD Single : A 49 THR OG1 : rot -79:sc= -0.127 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0595) USER MOD Single : B 257 SER OG : rot -176:sc= -0.689 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 262 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.628 -1.600 -0.210 1.00 0.00 N ATOM 45 CA SER A 2 123.727 -0.536 0.835 1.00 0.00 C ATOM 46 C SER A 2 122.569 0.456 0.693 1.00 0.00 C ATOM 47 O SER A 2 121.809 0.402 -0.256 1.00 0.00 O ATOM 48 CB SER A 2 125.063 0.158 0.569 1.00 0.00 C ATOM 49 OG SER A 2 126.122 -0.770 0.770 1.00 0.00 O ATOM 0 HA SER A 2 123.673 -0.943 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 2 125.090 0.543 -0.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.181 1.012 1.235 1.00 0.00 H new ATOM 0 HG SER A 2 125.832 -1.663 0.490 1.00 0.00 H new ATOM 55 N VAL A 3 122.434 1.361 1.633 1.00 0.00 N ATOM 56 CA VAL A 3 121.311 2.355 1.579 1.00 0.00 C ATOM 57 C VAL A 3 121.491 3.301 0.382 1.00 0.00 C ATOM 58 O VAL A 3 120.527 3.824 -0.144 1.00 0.00 O ATOM 59 CB VAL A 3 121.380 3.129 2.906 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.272 4.191 2.956 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.191 2.161 4.078 1.00 0.00 C ATOM 0 H VAL A 3 123.054 1.456 2.438 1.00 0.00 H new ATOM 0 HA VAL A 3 120.343 1.870 1.452 1.00 0.00 H new ATOM 0 HB VAL A 3 122.353 3.614 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.330 4.733 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.399 4.889 2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.299 3.706 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.240 2.712 5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.220 1.673 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.978 1.407 4.058 1.00 0.00 H new ATOM 71 N ALA A 4 122.715 3.529 -0.046 1.00 0.00 N ATOM 72 CA ALA A 4 122.963 4.482 -1.184 1.00 0.00 C ATOM 73 C ALA A 4 122.138 4.079 -2.413 1.00 0.00 C ATOM 74 O ALA A 4 121.737 4.913 -3.204 1.00 0.00 O ATOM 75 CB ALA A 4 124.458 4.367 -1.490 1.00 0.00 C ATOM 0 H ALA A 4 123.553 3.097 0.343 1.00 0.00 H new ATOM 0 HA ALA A 4 122.675 5.501 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.714 5.036 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 4 125.033 4.643 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.694 3.340 -1.770 1.00 0.00 H new ATOM 81 N ASP A 5 121.888 2.802 -2.569 1.00 0.00 N ATOM 82 CA ASP A 5 120.997 2.333 -3.679 1.00 0.00 C ATOM 83 C ASP A 5 119.547 2.764 -3.417 1.00 0.00 C ATOM 84 O ASP A 5 118.788 3.001 -4.338 1.00 0.00 O ATOM 85 CB ASP A 5 121.107 0.804 -3.675 1.00 0.00 C ATOM 86 CG ASP A 5 122.530 0.387 -4.060 1.00 0.00 C ATOM 87 OD1 ASP A 5 123.077 0.986 -4.972 1.00 0.00 O ATOM 88 OD2 ASP A 5 123.047 -0.525 -3.436 1.00 0.00 O ATOM 0 H ASP A 5 122.263 2.062 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 5 121.289 2.757 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.858 0.415 -2.688 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.390 0.376 -4.376 1.00 0.00 H new ATOM 93 N PHE A 6 119.164 2.867 -2.165 1.00 0.00 N ATOM 94 CA PHE A 6 117.755 3.243 -1.827 1.00 0.00 C ATOM 95 C PHE A 6 117.621 4.754 -1.567 1.00 0.00 C ATOM 96 O PHE A 6 116.592 5.210 -1.101 1.00 0.00 O ATOM 97 CB PHE A 6 117.429 2.453 -0.558 1.00 0.00 C ATOM 98 CG PHE A 6 117.431 0.956 -0.762 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.623 0.218 -0.574 1.00 0.00 C ATOM 100 CD2 PHE A 6 116.238 0.293 -1.141 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.626 -1.186 -0.765 1.00 0.00 C ATOM 102 CE2 PHE A 6 116.240 -1.111 -1.332 1.00 0.00 C ATOM 103 CZ PHE A 6 117.433 -1.850 -1.144 1.00 0.00 C ATOM 0 H PHE A 6 119.770 2.706 -1.361 1.00 0.00 H new ATOM 0 HA PHE A 6 117.074 3.016 -2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.154 2.707 0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.450 2.760 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.532 0.725 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.328 0.857 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.536 -1.749 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 6 115.331 -1.618 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 6 117.434 -2.920 -1.290 1.00 0.00 H new ATOM 113 N TYR A 7 118.641 5.534 -1.859 1.00 0.00 N ATOM 114 CA TYR A 7 118.510 7.025 -1.732 1.00 0.00 C ATOM 115 C TYR A 7 117.521 7.559 -2.776 1.00 0.00 C ATOM 116 O TYR A 7 117.500 7.114 -3.908 1.00 0.00 O ATOM 117 CB TYR A 7 119.918 7.576 -2.017 1.00 0.00 C ATOM 118 CG TYR A 7 120.827 7.684 -0.801 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.550 6.951 0.385 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.969 8.520 -0.859 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.418 7.058 1.500 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.831 8.626 0.257 1.00 0.00 C ATOM 123 CZ TYR A 7 122.558 7.896 1.435 1.00 0.00 C ATOM 124 OH TYR A 7 123.405 7.998 2.518 1.00 0.00 O ATOM 0 H TYR A 7 119.552 5.205 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 7 118.141 7.321 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.400 6.935 -2.756 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.821 8.564 -2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.680 6.314 0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.182 9.078 -1.759 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.210 6.500 2.401 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.699 9.266 0.209 1.00 0.00 H new ATOM 0 HH TYR A 7 124.137 8.614 2.304 1.00 0.00 H new ATOM 134 N GLY A 8 116.703 8.511 -2.395 1.00 0.00 N ATOM 135 CA GLY A 8 115.648 9.030 -3.323 1.00 0.00 C ATOM 136 C GLY A 8 114.403 8.126 -3.290 1.00 0.00 C ATOM 137 O GLY A 8 113.420 8.408 -3.952 1.00 0.00 O ATOM 0 H GLY A 8 116.721 8.953 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.374 10.046 -3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.042 9.079 -4.338 1.00 0.00 H new ATOM 141 N SER A 9 114.427 7.049 -2.532 1.00 0.00 N ATOM 142 CA SER A 9 113.241 6.137 -2.479 1.00 0.00 C ATOM 143 C SER A 9 112.122 6.758 -1.636 1.00 0.00 C ATOM 144 O SER A 9 112.374 7.375 -0.617 1.00 0.00 O ATOM 145 CB SER A 9 113.749 4.852 -1.821 1.00 0.00 C ATOM 146 OG SER A 9 114.769 4.282 -2.630 1.00 0.00 O ATOM 0 H SER A 9 115.216 6.766 -1.951 1.00 0.00 H new ATOM 0 HA SER A 9 112.827 5.953 -3.471 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.137 5.068 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 9 112.929 4.144 -1.697 1.00 0.00 H new ATOM 0 HG SER A 9 114.875 3.334 -2.404 1.00 0.00 H new ATOM 152 N ASN A 10 110.893 6.596 -2.059 1.00 0.00 N ATOM 153 CA ASN A 10 109.735 7.044 -1.223 1.00 0.00 C ATOM 154 C ASN A 10 109.364 5.941 -0.233 1.00 0.00 C ATOM 155 O ASN A 10 108.983 4.852 -0.623 1.00 0.00 O ATOM 156 CB ASN A 10 108.584 7.267 -2.211 1.00 0.00 C ATOM 157 CG ASN A 10 108.813 8.551 -3.011 1.00 0.00 C ATOM 158 OD1 ASN A 10 108.102 9.519 -2.838 1.00 0.00 O ATOM 159 ND2 ASN A 10 109.773 8.597 -3.895 1.00 0.00 N ATOM 0 H ASN A 10 110.640 6.171 -2.951 1.00 0.00 H new ATOM 0 HA ASN A 10 109.961 7.945 -0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.507 6.417 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.639 7.330 -1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 10 109.925 9.446 -4.439 1.00 0.00 H new ATOM 0 HD22 ASN A 10 110.371 7.784 -4.041 1.00 0.00 H new ATOM 166 N VAL A 11 109.470 6.215 1.039 1.00 0.00 N ATOM 167 CA VAL A 11 109.114 5.183 2.063 1.00 0.00 C ATOM 168 C VAL A 11 108.431 5.853 3.256 1.00 0.00 C ATOM 169 O VAL A 11 108.526 7.053 3.436 1.00 0.00 O ATOM 170 CB VAL A 11 110.444 4.528 2.481 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.087 3.845 1.271 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.410 5.586 3.036 1.00 0.00 C ATOM 0 H VAL A 11 109.787 7.108 1.416 1.00 0.00 H new ATOM 0 HA VAL A 11 108.420 4.438 1.674 1.00 0.00 H new ATOM 0 HB VAL A 11 110.239 3.789 3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.028 3.383 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.414 3.080 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.278 4.585 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.345 5.108 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.609 6.335 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.962 6.067 3.906 1.00 0.00 H new ATOM 182 N GLU A 12 107.744 5.088 4.069 1.00 0.00 N ATOM 183 CA GLU A 12 107.130 5.672 5.297 1.00 0.00 C ATOM 184 C GLU A 12 107.871 5.171 6.538 1.00 0.00 C ATOM 185 O GLU A 12 108.090 3.987 6.703 1.00 0.00 O ATOM 186 CB GLU A 12 105.684 5.169 5.292 1.00 0.00 C ATOM 187 CG GLU A 12 104.897 5.849 6.417 1.00 0.00 C ATOM 188 CD GLU A 12 103.411 5.496 6.297 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.113 4.350 6.006 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.596 6.382 6.497 1.00 0.00 O ATOM 0 H GLU A 12 107.584 4.090 3.935 1.00 0.00 H new ATOM 0 HA GLU A 12 107.180 6.761 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.218 5.381 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.665 4.087 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.279 5.528 7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.029 6.930 6.364 1.00 0.00 H new ATOM 197 N VAL A 13 108.259 6.070 7.406 1.00 0.00 N ATOM 198 CA VAL A 13 108.983 5.660 8.646 1.00 0.00 C ATOM 199 C VAL A 13 108.056 5.794 9.857 1.00 0.00 C ATOM 200 O VAL A 13 107.491 6.844 10.102 1.00 0.00 O ATOM 201 CB VAL A 13 110.165 6.640 8.756 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.011 6.302 9.989 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.045 6.537 7.503 1.00 0.00 C ATOM 0 H VAL A 13 108.105 7.074 7.309 1.00 0.00 H new ATOM 0 HA VAL A 13 109.318 4.623 8.613 1.00 0.00 H new ATOM 0 HB VAL A 13 109.773 7.653 8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.845 7.000 10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.395 6.380 10.885 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.395 5.286 9.900 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.880 7.233 7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.428 5.521 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.453 6.784 6.622 1.00 0.00 H new ATOM 213 N LEU A 14 107.899 4.734 10.611 1.00 0.00 N ATOM 214 CA LEU A 14 107.097 4.813 11.868 1.00 0.00 C ATOM 215 C LEU A 14 108.041 5.045 13.052 1.00 0.00 C ATOM 216 O LEU A 14 108.987 4.304 13.252 1.00 0.00 O ATOM 217 CB LEU A 14 106.399 3.450 11.979 1.00 0.00 C ATOM 218 CG LEU A 14 105.541 3.391 13.251 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.294 4.257 13.075 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.119 1.942 13.509 1.00 0.00 C ATOM 0 H LEU A 14 108.293 3.815 10.408 1.00 0.00 H new ATOM 0 HA LEU A 14 106.374 5.629 11.865 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.773 3.282 11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.143 2.654 11.997 1.00 0.00 H new ATOM 0 HG LEU A 14 106.121 3.763 14.095 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.689 4.212 13.980 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.591 5.289 12.889 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.712 3.889 12.230 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.510 1.896 14.411 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.540 1.575 12.661 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.006 1.322 13.638 1.00 0.00 H new ATOM 232 N LEU A 15 107.789 6.064 13.833 1.00 0.00 N ATOM 233 CA LEU A 15 108.755 6.441 14.911 1.00 0.00 C ATOM 234 C LEU A 15 108.348 5.827 16.256 1.00 0.00 C ATOM 235 O LEU A 15 107.254 5.317 16.413 1.00 0.00 O ATOM 236 CB LEU A 15 108.702 7.969 14.976 1.00 0.00 C ATOM 237 CG LEU A 15 109.277 8.560 13.688 1.00 0.00 C ATOM 238 CD1 LEU A 15 108.968 10.057 13.631 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.794 8.355 13.665 1.00 0.00 C ATOM 0 H LEU A 15 106.957 6.651 13.772 1.00 0.00 H new ATOM 0 HA LEU A 15 109.759 6.074 14.700 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.673 8.301 15.112 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.269 8.326 15.836 1.00 0.00 H new ATOM 0 HG LEU A 15 108.828 8.062 12.829 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.378 10.478 12.713 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.888 10.207 13.649 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.417 10.554 14.491 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.204 8.776 12.747 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.242 8.854 14.525 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.018 7.289 13.707 1.00 0.00 H new ATOM 251 N ASN A 16 109.234 5.879 17.225 1.00 0.00 N ATOM 252 CA ASN A 16 108.964 5.245 18.565 1.00 0.00 C ATOM 253 C ASN A 16 107.695 5.819 19.217 1.00 0.00 C ATOM 254 O ASN A 16 107.097 5.194 20.074 1.00 0.00 O ATOM 255 CB ASN A 16 110.200 5.564 19.426 1.00 0.00 C ATOM 256 CG ASN A 16 110.406 7.082 19.530 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.536 7.795 19.991 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.529 7.605 19.119 1.00 0.00 N ATOM 0 H ASN A 16 110.142 6.337 17.147 1.00 0.00 H new ATOM 0 HA ASN A 16 108.796 4.173 18.464 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.076 5.139 20.422 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.084 5.100 18.989 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.677 8.612 19.185 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.259 7.007 18.732 1.00 0.00 H new ATOM 265 N ASN A 17 107.286 7.000 18.817 1.00 0.00 N ATOM 266 CA ASN A 17 106.101 7.652 19.462 1.00 0.00 C ATOM 267 C ASN A 17 104.805 7.310 18.706 1.00 0.00 C ATOM 268 O ASN A 17 103.829 8.033 18.788 1.00 0.00 O ATOM 269 CB ASN A 17 106.392 9.163 19.408 1.00 0.00 C ATOM 270 CG ASN A 17 106.486 9.653 17.954 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.646 8.868 17.040 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.393 10.930 17.704 1.00 0.00 N ATOM 0 H ASN A 17 107.722 7.541 18.071 1.00 0.00 H new ATOM 0 HA ASN A 17 105.954 7.306 20.485 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.605 9.708 19.929 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.326 9.376 19.929 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.455 11.267 16.743 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.259 11.591 18.469 1.00 0.00 H new ATOM 279 N ASP A 18 104.790 6.215 17.965 1.00 0.00 N ATOM 280 CA ASP A 18 103.538 5.755 17.268 1.00 0.00 C ATOM 281 C ASP A 18 103.023 6.838 16.308 1.00 0.00 C ATOM 282 O ASP A 18 101.840 6.919 16.034 1.00 0.00 O ATOM 283 CB ASP A 18 102.505 5.477 18.372 1.00 0.00 C ATOM 284 CG ASP A 18 103.000 4.338 19.269 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.527 3.375 18.735 1.00 0.00 O ATOM 286 OD2 ASP A 18 102.845 4.450 20.474 1.00 0.00 O ATOM 0 H ASP A 18 105.602 5.617 17.814 1.00 0.00 H new ATOM 0 HA ASP A 18 103.726 4.863 16.670 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.343 6.376 18.966 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.546 5.212 17.927 1.00 0.00 H new ATOM 291 N SER A 19 103.905 7.671 15.798 1.00 0.00 N ATOM 292 CA SER A 19 103.502 8.640 14.736 1.00 0.00 C ATOM 293 C SER A 19 104.072 8.191 13.390 1.00 0.00 C ATOM 294 O SER A 19 105.182 7.698 13.313 1.00 0.00 O ATOM 295 CB SER A 19 104.115 9.974 15.162 1.00 0.00 C ATOM 296 OG SER A 19 103.625 10.326 16.450 1.00 0.00 O ATOM 0 H SER A 19 104.886 7.718 16.075 1.00 0.00 H new ATOM 0 HA SER A 19 102.420 8.713 14.622 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.202 9.898 15.182 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.863 10.750 14.440 1.00 0.00 H new ATOM 0 HG SER A 19 104.017 11.180 16.727 1.00 0.00 H new ATOM 302 N LYS A 20 103.320 8.359 12.330 1.00 0.00 N ATOM 303 CA LYS A 20 103.777 7.866 10.994 1.00 0.00 C ATOM 304 C LYS A 20 104.132 9.040 10.078 1.00 0.00 C ATOM 305 O LYS A 20 103.526 10.093 10.142 1.00 0.00 O ATOM 306 CB LYS A 20 102.577 7.106 10.428 1.00 0.00 C ATOM 307 CG LYS A 20 102.462 5.744 11.111 1.00 0.00 C ATOM 308 CD LYS A 20 101.235 5.005 10.572 1.00 0.00 C ATOM 309 CE LYS A 20 101.066 3.681 11.323 1.00 0.00 C ATOM 310 NZ LYS A 20 99.847 3.059 10.735 1.00 0.00 N ATOM 0 H LYS A 20 102.408 8.817 12.333 1.00 0.00 H new ATOM 0 HA LYS A 20 104.668 7.244 11.072 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.664 7.680 10.584 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.691 6.976 9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.362 5.157 10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.378 5.872 12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.344 5.621 10.694 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.350 4.818 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.938 3.040 11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.948 3.847 12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.665 2.146 11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.032 3.689 10.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.992 2.907 9.716 1.00 0.00 H new ATOM 324 N ALA A 21 105.111 8.857 9.227 1.00 0.00 N ATOM 325 CA ALA A 21 105.452 9.915 8.225 1.00 0.00 C ATOM 326 C ALA A 21 106.095 9.278 6.989 1.00 0.00 C ATOM 327 O ALA A 21 106.727 8.246 7.079 1.00 0.00 O ATOM 328 CB ALA A 21 106.446 10.834 8.936 1.00 0.00 C ATOM 0 H ALA A 21 105.690 8.019 9.183 1.00 0.00 H new ATOM 0 HA ALA A 21 104.572 10.460 7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 21 106.744 11.638 8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 21 105.978 11.259 9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.326 10.261 9.229 1.00 0.00 H new ATOM 334 N ARG A 22 105.935 9.888 5.837 1.00 0.00 N ATOM 335 CA ARG A 22 106.536 9.315 4.589 1.00 0.00 C ATOM 336 C ARG A 22 107.110 10.426 3.707 1.00 0.00 C ATOM 337 O ARG A 22 106.586 11.521 3.659 1.00 0.00 O ATOM 338 CB ARG A 22 105.387 8.581 3.878 1.00 0.00 C ATOM 339 CG ARG A 22 104.252 9.558 3.542 1.00 0.00 C ATOM 340 CD ARG A 22 103.028 8.772 3.058 1.00 0.00 C ATOM 341 NE ARG A 22 102.033 9.809 2.632 1.00 0.00 N ATOM 342 CZ ARG A 22 101.008 9.503 1.860 1.00 0.00 C ATOM 343 NH1 ARG A 22 100.807 8.276 1.434 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.171 10.441 1.512 1.00 0.00 N ATOM 0 H ARG A 22 105.415 10.756 5.707 1.00 0.00 H new ATOM 0 HA ARG A 22 107.363 8.640 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.756 8.114 2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.010 7.781 4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 22 103.994 10.149 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.576 10.258 2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.287 8.112 2.230 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.625 8.144 3.852 1.00 0.00 H new ATOM 0 HE ARG A 22 102.151 10.772 2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.452 7.532 1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.006 8.068 0.838 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.313 11.398 1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.374 10.218 0.915 1.00 0.00 H new ATOM 358 N GLY A 23 108.186 10.139 3.013 1.00 0.00 N ATOM 359 CA GLY A 23 108.884 11.200 2.224 1.00 0.00 C ATOM 360 C GLY A 23 109.966 10.543 1.365 1.00 0.00 C ATOM 361 O GLY A 23 110.247 9.367 1.511 1.00 0.00 O ATOM 0 H GLY A 23 108.611 9.213 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.172 11.731 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.329 11.937 2.893 1.00 0.00 H new ATOM 365 N VAL A 24 110.575 11.287 0.474 1.00 0.00 N ATOM 366 CA VAL A 24 111.580 10.677 -0.453 1.00 0.00 C ATOM 367 C VAL A 24 112.980 10.853 0.132 1.00 0.00 C ATOM 368 O VAL A 24 113.430 11.959 0.350 1.00 0.00 O ATOM 369 CB VAL A 24 111.460 11.460 -1.774 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.336 10.794 -2.841 1.00 0.00 C ATOM 371 CG2 VAL A 24 109.995 11.492 -2.254 1.00 0.00 C ATOM 0 H VAL A 24 110.421 12.287 0.348 1.00 0.00 H new ATOM 0 HA VAL A 24 111.407 9.611 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 24 111.794 12.484 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.253 11.346 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.375 10.794 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.004 9.767 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.930 12.049 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.642 10.473 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.375 11.976 -1.499 1.00 0.00 H new ATOM 381 N ILE A 25 113.673 9.771 0.384 1.00 0.00 N ATOM 382 CA ILE A 25 114.987 9.867 1.109 1.00 0.00 C ATOM 383 C ILE A 25 116.000 10.669 0.280 1.00 0.00 C ATOM 384 O ILE A 25 116.029 10.583 -0.932 1.00 0.00 O ATOM 385 CB ILE A 25 115.464 8.415 1.302 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.452 7.645 2.161 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.828 8.393 2.003 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.750 6.146 2.079 1.00 0.00 C ATOM 0 H ILE A 25 113.391 8.826 0.122 1.00 0.00 H new ATOM 0 HA ILE A 25 114.885 10.382 2.064 1.00 0.00 H new ATOM 0 HB ILE A 25 115.552 7.946 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.507 7.982 3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.438 7.845 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.154 7.361 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.557 8.930 1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.744 8.873 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.032 5.598 2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.673 5.816 1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.758 5.955 2.447 1.00 0.00 H new ATOM 400 N THR A 26 116.825 11.451 0.935 1.00 0.00 N ATOM 401 CA THR A 26 117.855 12.250 0.206 1.00 0.00 C ATOM 402 C THR A 26 119.269 11.902 0.681 1.00 0.00 C ATOM 403 O THR A 26 120.215 12.015 -0.078 1.00 0.00 O ATOM 404 CB THR A 26 117.534 13.715 0.509 1.00 0.00 C ATOM 405 OG1 THR A 26 117.210 13.862 1.883 1.00 0.00 O ATOM 406 CG2 THR A 26 116.353 14.164 -0.349 1.00 0.00 C ATOM 0 H THR A 26 116.827 11.569 1.948 1.00 0.00 H new ATOM 0 HA THR A 26 117.830 12.040 -0.863 1.00 0.00 H new ATOM 0 HB THR A 26 118.404 14.330 0.280 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.710 14.695 2.014 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.123 15.208 -0.134 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.608 14.058 -1.403 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.483 13.547 -0.123 1.00 0.00 H new ATOM 414 N ASN A 27 119.439 11.481 1.922 1.00 0.00 N ATOM 415 CA ASN A 27 120.828 11.202 2.412 1.00 0.00 C ATOM 416 C ASN A 27 120.819 10.327 3.667 1.00 0.00 C ATOM 417 O ASN A 27 119.835 10.244 4.372 1.00 0.00 O ATOM 418 CB ASN A 27 121.422 12.578 2.729 1.00 0.00 C ATOM 419 CG ASN A 27 122.938 12.550 2.511 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.422 11.898 1.608 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.711 13.234 3.309 1.00 0.00 N ATOM 0 H ASN A 27 118.692 11.323 2.598 1.00 0.00 H new ATOM 0 HA ASN A 27 121.407 10.657 1.667 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.967 13.336 2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.198 12.852 3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.722 13.221 3.174 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.304 13.782 4.067 1.00 0.00 H new ATOM 428 N PHE A 28 121.925 9.673 3.933 1.00 0.00 N ATOM 429 CA PHE A 28 122.112 8.950 5.230 1.00 0.00 C ATOM 430 C PHE A 28 123.600 8.942 5.590 1.00 0.00 C ATOM 431 O PHE A 28 124.436 8.540 4.801 1.00 0.00 O ATOM 432 CB PHE A 28 121.596 7.525 4.990 1.00 0.00 C ATOM 433 CG PHE A 28 121.812 6.594 6.164 1.00 0.00 C ATOM 434 CD1 PHE A 28 120.999 6.705 7.318 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.832 5.612 6.110 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.207 5.835 8.416 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.039 4.742 7.207 1.00 0.00 C ATOM 438 CZ PHE A 28 122.225 4.854 8.361 1.00 0.00 C ATOM 0 H PHE A 28 122.718 9.609 3.295 1.00 0.00 H new ATOM 0 HA PHE A 28 121.578 9.422 6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.531 7.567 4.762 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.093 7.111 4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.221 7.453 7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.453 5.527 5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.588 5.921 9.297 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.817 3.994 7.164 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.382 4.191 9.199 1.00 0.00 H new ATOM 448 N ASP A 29 123.931 9.385 6.778 1.00 0.00 N ATOM 449 CA ASP A 29 125.364 9.477 7.178 1.00 0.00 C ATOM 450 C ASP A 29 125.713 8.281 8.055 1.00 0.00 C ATOM 451 O ASP A 29 125.003 7.982 8.989 1.00 0.00 O ATOM 452 CB ASP A 29 125.471 10.779 7.975 1.00 0.00 C ATOM 453 CG ASP A 29 126.942 11.083 8.266 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.591 11.654 7.405 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.395 10.739 9.345 1.00 0.00 O ATOM 0 H ASP A 29 123.265 9.687 7.489 1.00 0.00 H new ATOM 0 HA ASP A 29 126.045 9.473 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.024 11.599 7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.915 10.692 8.909 1.00 0.00 H new ATOM 460 N SER A 30 126.791 7.600 7.762 1.00 0.00 N ATOM 461 CA SER A 30 127.139 6.372 8.546 1.00 0.00 C ATOM 462 C SER A 30 127.556 6.746 9.972 1.00 0.00 C ATOM 463 O SER A 30 127.060 6.190 10.934 1.00 0.00 O ATOM 464 CB SER A 30 128.307 5.725 7.799 1.00 0.00 C ATOM 465 OG SER A 30 127.938 5.514 6.443 1.00 0.00 O ATOM 0 H SER A 30 127.445 7.838 7.016 1.00 0.00 H new ATOM 0 HA SER A 30 126.290 5.694 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 30 129.187 6.365 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.573 4.777 8.267 1.00 0.00 H new ATOM 0 HG SER A 30 128.685 5.101 5.961 1.00 0.00 H new ATOM 471 N SER A 31 128.459 7.687 10.111 1.00 0.00 N ATOM 472 CA SER A 31 129.008 8.022 11.468 1.00 0.00 C ATOM 473 C SER A 31 127.888 8.476 12.413 1.00 0.00 C ATOM 474 O SER A 31 127.847 8.086 13.566 1.00 0.00 O ATOM 475 CB SER A 31 130.000 9.164 11.236 1.00 0.00 C ATOM 476 OG SER A 31 130.956 8.764 10.264 1.00 0.00 O ATOM 0 H SER A 31 128.841 8.239 9.344 1.00 0.00 H new ATOM 0 HA SER A 31 129.481 7.156 11.932 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.473 10.056 10.899 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.500 9.423 12.170 1.00 0.00 H new ATOM 0 HG SER A 31 131.592 9.494 10.111 1.00 0.00 H new ATOM 482 N ASN A 32 126.985 9.294 11.931 1.00 0.00 N ATOM 483 CA ASN A 32 125.889 9.811 12.809 1.00 0.00 C ATOM 484 C ASN A 32 124.555 9.098 12.527 1.00 0.00 C ATOM 485 O ASN A 32 123.603 9.258 13.268 1.00 0.00 O ATOM 486 CB ASN A 32 125.775 11.298 12.461 1.00 0.00 C ATOM 487 CG ASN A 32 127.060 12.025 12.869 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.648 12.734 12.076 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.523 11.879 14.081 1.00 0.00 N ATOM 0 H ASN A 32 126.959 9.626 10.967 1.00 0.00 H new ATOM 0 HA ASN A 32 126.110 9.640 13.863 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.602 11.419 11.392 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.919 11.737 12.974 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.378 12.360 14.362 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.030 11.284 14.747 1.00 0.00 H new ATOM 496 N SER A 33 124.471 8.312 11.467 1.00 0.00 N ATOM 497 CA SER A 33 123.163 7.677 11.069 1.00 0.00 C ATOM 498 C SER A 33 122.039 8.725 11.016 1.00 0.00 C ATOM 499 O SER A 33 121.114 8.703 11.810 1.00 0.00 O ATOM 500 CB SER A 33 122.883 6.615 12.139 1.00 0.00 C ATOM 501 OG SER A 33 123.460 5.381 11.735 1.00 0.00 O ATOM 0 H SER A 33 125.257 8.083 10.859 1.00 0.00 H new ATOM 0 HA SER A 33 123.212 7.237 10.073 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.299 6.928 13.097 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.809 6.499 12.281 1.00 0.00 H new ATOM 0 HG SER A 33 123.169 5.167 10.824 1.00 0.00 H new ATOM 507 N ILE A 34 122.118 9.640 10.079 1.00 0.00 N ATOM 508 CA ILE A 34 121.109 10.747 10.017 1.00 0.00 C ATOM 509 C ILE A 34 120.474 10.781 8.625 1.00 0.00 C ATOM 510 O ILE A 34 121.162 10.846 7.627 1.00 0.00 O ATOM 511 CB ILE A 34 121.890 12.046 10.293 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.645 11.952 11.638 1.00 0.00 C ATOM 513 CG2 ILE A 34 120.923 13.237 10.331 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.673 11.740 12.814 1.00 0.00 C ATOM 0 H ILE A 34 122.836 9.669 9.355 1.00 0.00 H new ATOM 0 HA ILE A 34 120.305 10.614 10.741 1.00 0.00 H new ATOM 0 HB ILE A 34 122.615 12.189 9.492 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.358 11.128 11.600 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.220 12.864 11.799 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.481 14.153 10.527 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.412 13.321 9.372 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.188 13.084 11.122 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.236 11.678 13.745 1.00 0.00 H new ATOM 0 HD12 ILE A 34 120.977 12.577 12.866 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.117 10.814 12.664 1.00 0.00 H new ATOM 526 N LEU A 35 119.166 10.748 8.558 1.00 0.00 N ATOM 527 CA LEU A 35 118.478 10.537 7.249 1.00 0.00 C ATOM 528 C LEU A 35 117.657 11.770 6.876 1.00 0.00 C ATOM 529 O LEU A 35 116.759 12.169 7.594 1.00 0.00 O ATOM 530 CB LEU A 35 117.559 9.335 7.484 1.00 0.00 C ATOM 531 CG LEU A 35 116.954 8.870 6.155 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.889 7.859 5.487 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.598 8.209 6.416 1.00 0.00 C ATOM 0 H LEU A 35 118.543 10.859 9.358 1.00 0.00 H new ATOM 0 HA LEU A 35 119.181 10.367 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.121 8.521 7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.765 9.605 8.180 1.00 0.00 H new ATOM 0 HG LEU A 35 116.823 9.731 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.455 7.531 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.856 8.326 5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.023 6.999 6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.167 7.878 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.732 7.351 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.928 8.927 6.889 1.00 0.00 H new ATOM 545 N GLN A 36 117.966 12.374 5.755 1.00 0.00 N ATOM 546 CA GLN A 36 117.147 13.522 5.269 1.00 0.00 C ATOM 547 C GLN A 36 116.035 13.005 4.359 1.00 0.00 C ATOM 548 O GLN A 36 116.270 12.173 3.504 1.00 0.00 O ATOM 549 CB GLN A 36 118.120 14.399 4.479 1.00 0.00 C ATOM 550 CG GLN A 36 119.140 15.022 5.436 1.00 0.00 C ATOM 551 CD GLN A 36 120.149 15.856 4.641 1.00 0.00 C ATOM 552 OE1 GLN A 36 120.513 15.502 3.536 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.619 16.956 5.161 1.00 0.00 N ATOM 0 H GLN A 36 118.752 12.119 5.156 1.00 0.00 H new ATOM 0 HA GLN A 36 116.675 14.075 6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.632 13.803 3.723 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.575 15.182 3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.631 15.649 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.657 14.240 5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 36 120.314 17.253 6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.292 17.519 4.641 1.00 0.00 H new ATOM 562 N LEU A 37 114.829 13.487 4.543 1.00 0.00 N ATOM 563 CA LEU A 37 113.714 13.117 3.619 1.00 0.00 C ATOM 564 C LEU A 37 113.186 14.366 2.908 1.00 0.00 C ATOM 565 O LEU A 37 112.785 15.325 3.543 1.00 0.00 O ATOM 566 CB LEU A 37 112.627 12.526 4.521 1.00 0.00 C ATOM 567 CG LEU A 37 112.921 11.050 4.794 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.088 10.577 5.989 1.00 0.00 C ATOM 569 CD2 LEU A 37 112.554 10.220 3.563 1.00 0.00 C ATOM 0 H LEU A 37 114.570 14.123 5.297 1.00 0.00 H new ATOM 0 HA LEU A 37 114.034 12.415 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.583 13.077 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.652 12.629 4.045 1.00 0.00 H new ATOM 0 HG LEU A 37 113.981 10.927 5.015 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.297 9.525 6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.345 11.168 6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.028 10.701 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 37 112.764 9.168 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 37 111.494 10.344 3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.143 10.555 2.709 1.00 0.00 H new ATOM 581 N ARG A 38 113.182 14.356 1.599 1.00 0.00 N ATOM 582 CA ARG A 38 112.583 15.495 0.835 1.00 0.00 C ATOM 583 C ARG A 38 111.151 15.146 0.423 1.00 0.00 C ATOM 584 O ARG A 38 110.932 14.319 -0.444 1.00 0.00 O ATOM 585 CB ARG A 38 113.476 15.664 -0.397 1.00 0.00 C ATOM 586 CG ARG A 38 113.013 16.875 -1.213 1.00 0.00 C ATOM 587 CD ARG A 38 113.880 17.007 -2.468 1.00 0.00 C ATOM 588 NE ARG A 38 113.418 18.267 -3.130 1.00 0.00 N ATOM 589 CZ ARG A 38 112.290 18.315 -3.815 1.00 0.00 C ATOM 590 NH1 ARG A 38 111.510 17.264 -3.935 1.00 0.00 N ATOM 591 NH2 ARG A 38 111.939 19.436 -4.384 1.00 0.00 N ATOM 0 H ARG A 38 113.568 13.607 1.024 1.00 0.00 H new ATOM 0 HA ARG A 38 112.533 16.412 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.513 15.796 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.438 14.764 -1.011 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.966 16.760 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 38 113.085 17.781 -0.612 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.938 17.061 -2.212 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.755 16.147 -3.126 1.00 0.00 H new ATOM 0 HE ARG A 38 113.988 19.109 -3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 38 111.770 16.382 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 38 110.644 17.330 -4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.533 20.260 -4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 38 111.070 19.488 -4.916 1.00 0.00 H new ATOM 605 N LEU A 39 110.180 15.771 1.038 1.00 0.00 N ATOM 606 CA LEU A 39 108.757 15.391 0.782 1.00 0.00 C ATOM 607 C LEU A 39 108.208 16.118 -0.451 1.00 0.00 C ATOM 608 O LEU A 39 108.635 17.211 -0.783 1.00 0.00 O ATOM 609 CB LEU A 39 108.006 15.810 2.054 1.00 0.00 C ATOM 610 CG LEU A 39 106.588 15.210 2.085 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.635 13.691 1.895 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.963 15.502 3.447 1.00 0.00 C ATOM 0 H LEU A 39 110.311 16.529 1.708 1.00 0.00 H new ATOM 0 HA LEU A 39 108.646 14.327 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.562 15.482 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.945 16.897 2.102 1.00 0.00 H new ATOM 0 HG LEU A 39 106.004 15.653 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.622 13.290 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 39 107.093 13.459 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 39 107.223 13.242 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.958 15.083 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 39 106.572 15.052 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.912 16.580 3.600 1.00 0.00 H new ATOM 624 N ALA A 40 107.255 15.510 -1.122 1.00 0.00 N ATOM 625 CA ALA A 40 106.760 16.053 -2.433 1.00 0.00 C ATOM 626 C ALA A 40 106.118 17.441 -2.273 1.00 0.00 C ATOM 627 O ALA A 40 105.817 18.097 -3.254 1.00 0.00 O ATOM 628 CB ALA A 40 105.716 15.044 -2.918 1.00 0.00 C ATOM 0 H ALA A 40 106.794 14.653 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 40 107.582 16.179 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.308 15.373 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.184 14.067 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 40 104.912 14.972 -2.186 1.00 0.00 H new ATOM 634 N ASN A 41 105.904 17.898 -1.059 1.00 0.00 N ATOM 635 CA ASN A 41 105.399 19.294 -0.854 1.00 0.00 C ATOM 636 C ASN A 41 106.563 20.304 -0.836 1.00 0.00 C ATOM 637 O ASN A 41 106.478 21.331 -0.190 1.00 0.00 O ATOM 638 CB ASN A 41 104.694 19.268 0.506 1.00 0.00 C ATOM 639 CG ASN A 41 103.441 18.396 0.417 1.00 0.00 C ATOM 640 OD1 ASN A 41 103.261 17.488 1.205 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.560 18.633 -0.516 1.00 0.00 N ATOM 0 H ASN A 41 106.057 17.364 -0.203 1.00 0.00 H new ATOM 0 HA ASN A 41 104.732 19.603 -1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 41 105.368 18.878 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 41 104.424 20.280 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 41 101.721 18.057 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 41 102.710 19.395 -1.178 1.00 0.00 H new ATOM 648 N ASP A 42 107.656 20.021 -1.535 1.00 0.00 N ATOM 649 CA ASP A 42 108.781 21.012 -1.667 1.00 0.00 C ATOM 650 C ASP A 42 109.337 21.376 -0.284 1.00 0.00 C ATOM 651 O ASP A 42 109.802 22.482 -0.071 1.00 0.00 O ATOM 652 CB ASP A 42 108.184 22.253 -2.352 1.00 0.00 C ATOM 653 CG ASP A 42 107.701 21.885 -3.758 1.00 0.00 C ATOM 654 OD1 ASP A 42 108.404 21.152 -4.434 1.00 0.00 O ATOM 655 OD2 ASP A 42 106.635 22.343 -4.135 1.00 0.00 O ATOM 0 H ASP A 42 107.811 19.137 -2.021 1.00 0.00 H new ATOM 0 HA ASP A 42 109.607 20.600 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 42 107.354 22.642 -1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 42 108.932 23.044 -2.409 1.00 0.00 H new ATOM 660 N SER A 43 109.294 20.455 0.659 1.00 0.00 N ATOM 661 CA SER A 43 109.840 20.750 2.019 1.00 0.00 C ATOM 662 C SER A 43 110.923 19.734 2.391 1.00 0.00 C ATOM 663 O SER A 43 110.783 18.550 2.148 1.00 0.00 O ATOM 664 CB SER A 43 108.643 20.624 2.960 1.00 0.00 C ATOM 665 OG SER A 43 107.639 21.553 2.571 1.00 0.00 O ATOM 0 H SER A 43 108.906 19.519 0.541 1.00 0.00 H new ATOM 0 HA SER A 43 110.301 21.736 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 43 108.247 19.609 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.952 20.814 3.988 1.00 0.00 H new ATOM 0 HG SER A 43 107.244 21.270 1.720 1.00 0.00 H new ATOM 671 N THR A 44 111.999 20.196 2.980 1.00 0.00 N ATOM 672 CA THR A 44 113.073 19.259 3.441 1.00 0.00 C ATOM 673 C THR A 44 112.904 18.952 4.933 1.00 0.00 C ATOM 674 O THR A 44 112.422 19.774 5.690 1.00 0.00 O ATOM 675 CB THR A 44 114.403 19.986 3.171 1.00 0.00 C ATOM 676 OG1 THR A 44 115.480 19.156 3.584 1.00 0.00 O ATOM 677 CG2 THR A 44 114.471 21.318 3.935 1.00 0.00 C ATOM 0 H THR A 44 112.181 21.183 3.162 1.00 0.00 H new ATOM 0 HA THR A 44 113.034 18.303 2.919 1.00 0.00 H new ATOM 0 HB THR A 44 114.471 20.196 2.104 1.00 0.00 H new ATOM 0 HG1 THR A 44 116.330 19.613 3.413 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.421 21.810 3.725 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.651 21.962 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.389 21.128 5.005 1.00 0.00 H new ATOM 685 N LYS A 45 113.298 17.775 5.357 1.00 0.00 N ATOM 686 CA LYS A 45 113.193 17.422 6.805 1.00 0.00 C ATOM 687 C LYS A 45 114.302 16.438 7.193 1.00 0.00 C ATOM 688 O LYS A 45 114.383 15.346 6.665 1.00 0.00 O ATOM 689 CB LYS A 45 111.816 16.772 6.956 1.00 0.00 C ATOM 690 CG LYS A 45 111.508 16.559 8.440 1.00 0.00 C ATOM 691 CD LYS A 45 110.144 15.881 8.588 1.00 0.00 C ATOM 692 CE LYS A 45 109.772 15.798 10.069 1.00 0.00 C ATOM 693 NZ LYS A 45 108.683 14.783 10.135 1.00 0.00 N ATOM 0 H LYS A 45 113.688 17.044 4.761 1.00 0.00 H new ATOM 0 HA LYS A 45 113.304 18.292 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.053 17.405 6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.793 15.818 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.283 15.944 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.509 17.515 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.386 16.443 8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.174 14.882 8.153 1.00 0.00 H new ATOM 0 HE2 LYS A 45 110.627 15.499 10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.435 16.764 10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.374 14.670 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.880 15.097 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.035 13.873 9.776 1.00 0.00 H new ATOM 707 N SER A 46 115.153 16.823 8.114 1.00 0.00 N ATOM 708 CA SER A 46 116.252 15.911 8.558 1.00 0.00 C ATOM 709 C SER A 46 115.825 15.140 9.809 1.00 0.00 C ATOM 710 O SER A 46 115.454 15.726 10.810 1.00 0.00 O ATOM 711 CB SER A 46 117.430 16.833 8.872 1.00 0.00 C ATOM 712 OG SER A 46 117.116 17.626 10.010 1.00 0.00 O ATOM 0 H SER A 46 115.133 17.731 8.578 1.00 0.00 H new ATOM 0 HA SER A 46 116.506 15.170 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.327 16.244 9.061 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.644 17.473 8.016 1.00 0.00 H new ATOM 0 HG SER A 46 116.319 17.264 10.451 1.00 0.00 H new ATOM 718 N ILE A 47 115.874 13.831 9.756 1.00 0.00 N ATOM 719 CA ILE A 47 115.472 13.005 10.938 1.00 0.00 C ATOM 720 C ILE A 47 116.575 11.987 11.241 1.00 0.00 C ATOM 721 O ILE A 47 117.087 11.338 10.349 1.00 0.00 O ATOM 722 CB ILE A 47 114.167 12.301 10.527 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.096 13.346 10.185 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.662 11.431 11.684 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.909 12.661 9.504 1.00 0.00 C ATOM 0 H ILE A 47 116.176 13.297 8.941 1.00 0.00 H new ATOM 0 HA ILE A 47 115.325 13.603 11.838 1.00 0.00 H new ATOM 0 HB ILE A 47 114.362 11.678 9.655 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.765 13.853 11.092 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.514 14.109 9.528 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.738 10.934 11.389 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.414 10.682 11.931 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.475 12.058 12.556 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.150 13.405 9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.246 12.175 8.588 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.485 11.915 10.176 1.00 0.00 H new ATOM 737 N VAL A 48 116.941 11.843 12.492 1.00 0.00 N ATOM 738 CA VAL A 48 118.009 10.858 12.852 1.00 0.00 C ATOM 739 C VAL A 48 117.390 9.454 12.957 1.00 0.00 C ATOM 740 O VAL A 48 116.418 9.248 13.653 1.00 0.00 O ATOM 741 CB VAL A 48 118.560 11.336 14.210 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.674 10.393 14.688 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.112 12.768 14.078 1.00 0.00 C ATOM 0 H VAL A 48 116.548 12.363 13.277 1.00 0.00 H new ATOM 0 HA VAL A 48 118.804 10.800 12.109 1.00 0.00 H new ATOM 0 HB VAL A 48 117.751 11.330 14.940 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.057 10.739 15.648 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.275 9.385 14.799 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.482 10.385 13.957 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.500 13.099 15.042 1.00 0.00 H new ATOM 0 HG22 VAL A 48 119.914 12.782 13.340 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.313 13.438 13.759 1.00 0.00 H new ATOM 753 N THR A 49 117.956 8.494 12.266 1.00 0.00 N ATOM 754 CA THR A 49 117.309 7.142 12.150 1.00 0.00 C ATOM 755 C THR A 49 117.119 6.476 13.516 1.00 0.00 C ATOM 756 O THR A 49 116.256 5.637 13.686 1.00 0.00 O ATOM 757 CB THR A 49 118.266 6.312 11.290 1.00 0.00 C ATOM 758 OG1 THR A 49 119.570 6.364 11.852 1.00 0.00 O ATOM 759 CG2 THR A 49 118.297 6.873 9.867 1.00 0.00 C ATOM 0 H THR A 49 118.844 8.587 11.773 1.00 0.00 H new ATOM 0 HA THR A 49 116.313 7.225 11.714 1.00 0.00 H new ATOM 0 HB THR A 49 117.924 5.278 11.260 1.00 0.00 H new ATOM 0 HG1 THR A 49 119.996 7.213 11.611 1.00 0.00 H new ATOM 0 HG21 THR A 49 118.979 6.280 9.257 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.296 6.831 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.638 7.908 9.891 1.00 0.00 H new ATOM 767 N LYS A 50 117.920 6.839 14.487 1.00 0.00 N ATOM 768 CA LYS A 50 117.841 6.168 15.829 1.00 0.00 C ATOM 769 C LYS A 50 116.429 6.278 16.417 1.00 0.00 C ATOM 770 O LYS A 50 116.026 5.458 17.222 1.00 0.00 O ATOM 771 CB LYS A 50 118.849 6.905 16.727 1.00 0.00 C ATOM 772 CG LYS A 50 120.279 6.718 16.198 1.00 0.00 C ATOM 773 CD LYS A 50 121.238 7.593 17.009 1.00 0.00 C ATOM 774 CE LYS A 50 122.635 7.532 16.386 1.00 0.00 C ATOM 775 NZ LYS A 50 123.554 8.008 17.458 1.00 0.00 N ATOM 0 H LYS A 50 118.627 7.571 14.412 1.00 0.00 H new ATOM 0 HA LYS A 50 118.068 5.105 15.750 1.00 0.00 H new ATOM 0 HB2 LYS A 50 118.604 7.967 16.763 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.780 6.527 17.747 1.00 0.00 H new ATOM 0 HG2 LYS A 50 120.573 5.671 16.273 1.00 0.00 H new ATOM 0 HG3 LYS A 50 120.327 6.988 15.143 1.00 0.00 H new ATOM 0 HD2 LYS A 50 120.881 8.623 17.027 1.00 0.00 H new ATOM 0 HD3 LYS A 50 121.274 7.250 18.043 1.00 0.00 H new ATOM 0 HE2 LYS A 50 122.884 6.518 16.073 1.00 0.00 H new ATOM 0 HE3 LYS A 50 122.700 8.164 15.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 124.533 7.995 17.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 123.297 8.978 17.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 123.475 7.383 18.286 1.00 0.00 H new ATOM 789 N ASP A 51 115.677 7.278 16.024 1.00 0.00 N ATOM 790 CA ASP A 51 114.263 7.379 16.508 1.00 0.00 C ATOM 791 C ASP A 51 113.309 6.534 15.641 1.00 0.00 C ATOM 792 O ASP A 51 112.107 6.572 15.831 1.00 0.00 O ATOM 793 CB ASP A 51 113.894 8.874 16.447 1.00 0.00 C ATOM 794 CG ASP A 51 114.015 9.423 15.018 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.544 8.769 14.102 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.574 10.496 14.867 1.00 0.00 O ATOM 0 H ASP A 51 115.977 8.023 15.395 1.00 0.00 H new ATOM 0 HA ASP A 51 114.169 6.990 17.522 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.875 9.014 16.807 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.547 9.439 17.112 1.00 0.00 H new ATOM 801 N ILE A 52 113.826 5.775 14.695 1.00 0.00 N ATOM 802 CA ILE A 52 112.937 4.870 13.891 1.00 0.00 C ATOM 803 C ILE A 52 112.543 3.648 14.727 1.00 0.00 C ATOM 804 O ILE A 52 113.383 2.967 15.284 1.00 0.00 O ATOM 805 CB ILE A 52 113.764 4.446 12.664 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.097 5.680 11.815 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.960 3.455 11.807 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.087 5.294 10.711 1.00 0.00 C ATOM 0 H ILE A 52 114.815 5.744 14.448 1.00 0.00 H new ATOM 0 HA ILE A 52 112.015 5.368 13.591 1.00 0.00 H new ATOM 0 HB ILE A 52 114.684 3.972 13.006 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.187 6.087 11.375 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.524 6.461 12.443 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.552 3.160 10.941 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.720 2.573 12.400 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.038 3.929 11.472 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.322 6.172 10.110 1.00 0.00 H new ATOM 0 HD12 ILE A 52 116.001 4.907 11.161 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.643 4.527 10.076 1.00 0.00 H new ATOM 820 N LYS A 53 111.266 3.373 14.811 1.00 0.00 N ATOM 821 CA LYS A 53 110.808 2.076 15.391 1.00 0.00 C ATOM 822 C LYS A 53 110.648 1.042 14.271 1.00 0.00 C ATOM 823 O LYS A 53 110.878 -0.136 14.471 1.00 0.00 O ATOM 824 CB LYS A 53 109.456 2.377 16.046 1.00 0.00 C ATOM 825 CG LYS A 53 108.984 1.156 16.837 1.00 0.00 C ATOM 826 CD LYS A 53 107.604 1.436 17.434 1.00 0.00 C ATOM 827 CE LYS A 53 107.194 0.273 18.340 1.00 0.00 C ATOM 828 NZ LYS A 53 107.848 0.556 19.648 1.00 0.00 N ATOM 0 H LYS A 53 110.519 3.994 14.501 1.00 0.00 H new ATOM 0 HA LYS A 53 111.517 1.669 16.112 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.545 3.239 16.707 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.721 2.635 15.284 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.940 0.283 16.186 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.695 0.926 17.630 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.624 2.365 18.004 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.871 1.566 16.638 1.00 0.00 H new ATOM 0 HE2 LYS A 53 106.110 0.217 18.444 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.525 -0.682 17.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.198 -0.332 20.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 108.645 1.208 19.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 107.158 0.990 20.294 1.00 0.00 H new ATOM 842 N ASP A 54 110.267 1.482 13.093 1.00 0.00 N ATOM 843 CA ASP A 54 110.021 0.529 11.963 1.00 0.00 C ATOM 844 C ASP A 54 110.046 1.282 10.629 1.00 0.00 C ATOM 845 O ASP A 54 109.824 2.478 10.579 1.00 0.00 O ATOM 846 CB ASP A 54 108.630 -0.068 12.209 1.00 0.00 C ATOM 847 CG ASP A 54 108.736 -1.336 13.060 1.00 0.00 C ATOM 848 OD1 ASP A 54 108.678 -1.222 14.273 1.00 0.00 O ATOM 849 OD2 ASP A 54 108.874 -2.402 12.483 1.00 0.00 O ATOM 0 H ASP A 54 110.115 2.465 12.866 1.00 0.00 H new ATOM 0 HA ASP A 54 110.785 -0.247 11.917 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.997 0.663 12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.153 -0.300 11.257 1.00 0.00 H new ATOM 854 N LEU A 55 110.314 0.585 9.548 1.00 0.00 N ATOM 855 CA LEU A 55 110.370 1.249 8.207 1.00 0.00 C ATOM 856 C LEU A 55 109.577 0.441 7.174 1.00 0.00 C ATOM 857 O LEU A 55 109.468 -0.767 7.271 1.00 0.00 O ATOM 858 CB LEU A 55 111.854 1.270 7.833 1.00 0.00 C ATOM 859 CG LEU A 55 112.615 2.202 8.778 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.119 1.998 8.591 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.259 3.656 8.458 1.00 0.00 C ATOM 0 H LEU A 55 110.497 -0.418 9.538 1.00 0.00 H new ATOM 0 HA LEU A 55 109.937 2.249 8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.267 0.263 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.974 1.605 6.803 1.00 0.00 H new ATOM 0 HG LEU A 55 112.340 1.977 9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.663 2.661 9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.377 0.963 8.816 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.391 2.224 7.560 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.801 4.320 9.131 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.535 3.880 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.187 3.805 8.587 1.00 0.00 H new ATOM 873 N ARG A 56 109.024 1.107 6.188 1.00 0.00 N ATOM 874 CA ARG A 56 108.318 0.387 5.084 1.00 0.00 C ATOM 875 C ARG A 56 108.384 1.210 3.793 1.00 0.00 C ATOM 876 O ARG A 56 108.305 2.422 3.824 1.00 0.00 O ATOM 877 CB ARG A 56 106.865 0.237 5.562 1.00 0.00 C ATOM 878 CG ARG A 56 106.209 1.618 5.709 1.00 0.00 C ATOM 879 CD ARG A 56 104.781 1.461 6.239 1.00 0.00 C ATOM 880 NE ARG A 56 104.920 0.856 7.604 1.00 0.00 N ATOM 881 CZ ARG A 56 103.894 0.290 8.213 1.00 0.00 C ATOM 882 NH1 ARG A 56 102.706 0.235 7.655 1.00 0.00 N ATOM 883 NH2 ARG A 56 104.065 -0.226 9.399 1.00 0.00 N ATOM 0 H ARG A 56 109.032 2.123 6.102 1.00 0.00 H new ATOM 0 HA ARG A 56 108.770 -0.581 4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.301 -0.367 4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.841 -0.288 6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.793 2.237 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.195 2.128 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.273 2.424 6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.189 0.821 5.585 1.00 0.00 H new ATOM 0 HE ARG A 56 105.826 0.882 8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.559 0.636 6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.931 -0.208 8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.982 -0.189 9.844 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.282 -0.666 9.881 1.00 0.00 H new ATOM 897 N ILE A 57 108.529 0.562 2.666 1.00 0.00 N ATOM 898 CA ILE A 57 108.452 1.299 1.365 1.00 0.00 C ATOM 899 C ILE A 57 106.991 1.397 0.908 1.00 0.00 C ATOM 900 O ILE A 57 106.263 0.421 0.928 1.00 0.00 O ATOM 901 CB ILE A 57 109.274 0.476 0.361 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.707 0.278 0.882 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.331 1.230 -0.972 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.421 -0.773 0.029 1.00 0.00 C ATOM 0 H ILE A 57 108.697 -0.441 2.588 1.00 0.00 H new ATOM 0 HA ILE A 57 108.838 2.315 1.452 1.00 0.00 H new ATOM 0 HB ILE A 57 108.803 -0.498 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.252 1.222 0.846 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.685 -0.038 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.913 0.654 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.320 1.372 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.801 2.202 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.437 -0.913 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.880 -1.718 0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.455 -0.438 -1.008 1.00 0.00 H new ATOM 916 N LEU A 58 106.561 2.567 0.497 1.00 0.00 N ATOM 917 CA LEU A 58 105.149 2.728 0.025 1.00 0.00 C ATOM 918 C LEU A 58 105.042 2.347 -1.464 1.00 0.00 C ATOM 919 O LEU A 58 105.738 2.917 -2.284 1.00 0.00 O ATOM 920 CB LEU A 58 104.825 4.212 0.209 1.00 0.00 C ATOM 921 CG LEU A 58 104.673 4.528 1.699 1.00 0.00 C ATOM 922 CD1 LEU A 58 104.771 6.041 1.910 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.309 4.031 2.189 1.00 0.00 C ATOM 0 H LEU A 58 107.126 3.416 0.468 1.00 0.00 H new ATOM 0 HA LEU A 58 104.461 2.088 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.618 4.823 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.906 4.461 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 58 105.464 4.030 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.663 6.268 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.741 6.395 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.979 6.539 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.200 4.255 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.518 4.529 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.238 2.954 2.037 1.00 0.00 H new ATOM 1736 N SER B 257 111.716 -4.808 2.879 1.00 0.00 N ATOM 1737 CA SER B 257 111.500 -3.737 3.911 1.00 0.00 C ATOM 1738 C SER B 257 112.196 -4.109 5.224 1.00 0.00 C ATOM 1739 O SER B 257 112.708 -3.260 5.930 1.00 0.00 O ATOM 1740 CB SER B 257 109.986 -3.684 4.120 1.00 0.00 C ATOM 1741 OG SER B 257 109.679 -2.674 5.072 1.00 0.00 O ATOM 0 HA SER B 257 111.908 -2.778 3.591 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.484 -3.474 3.175 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.621 -4.651 4.467 1.00 0.00 H new ATOM 0 HG SER B 257 108.716 -2.679 5.255 1.00 0.00 H new ATOM 1747 N SER B 258 112.210 -5.379 5.545 1.00 0.00 N ATOM 1748 CA SER B 258 112.864 -5.834 6.814 1.00 0.00 C ATOM 1749 C SER B 258 114.383 -5.659 6.724 1.00 0.00 C ATOM 1750 O SER B 258 115.044 -5.421 7.717 1.00 0.00 O ATOM 1751 CB SER B 258 112.503 -7.314 6.953 1.00 0.00 C ATOM 1752 OG SER B 258 111.090 -7.459 6.912 1.00 0.00 O ATOM 0 H SER B 258 111.796 -6.123 4.983 1.00 0.00 H new ATOM 0 HA SER B 258 112.527 -5.254 7.673 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.962 -7.889 6.149 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.893 -7.709 7.891 1.00 0.00 H new ATOM 0 HG SER B 258 110.856 -8.407 6.999 1.00 0.00 H new ATOM 1758 N GLN B 259 114.938 -5.775 5.540 1.00 0.00 N ATOM 1759 CA GLN B 259 116.422 -5.618 5.377 1.00 0.00 C ATOM 1760 C GLN B 259 116.854 -4.195 5.751 1.00 0.00 C ATOM 1761 O GLN B 259 117.880 -3.996 6.376 1.00 0.00 O ATOM 1762 CB GLN B 259 116.700 -5.887 3.894 1.00 0.00 C ATOM 1763 CG GLN B 259 118.210 -5.995 3.668 1.00 0.00 C ATOM 1764 CD GLN B 259 118.492 -6.268 2.188 1.00 0.00 C ATOM 1765 OE1 GLN B 259 117.731 -6.947 1.527 1.00 0.00 O ATOM 1766 NE2 GLN B 259 119.561 -5.763 1.637 1.00 0.00 N ATOM 0 H GLN B 259 114.428 -5.972 4.679 1.00 0.00 H new ATOM 0 HA GLN B 259 116.975 -6.299 6.024 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.208 -6.809 3.582 1.00 0.00 H new ATOM 0 HB3 GLN B 259 116.287 -5.083 3.284 1.00 0.00 H new ATOM 0 HG2 GLN B 259 118.701 -5.072 3.977 1.00 0.00 H new ATOM 0 HG3 GLN B 259 118.623 -6.796 4.281 1.00 0.00 H new ATOM 0 HE21 GLN B 259 120.200 -5.193 2.191 1.00 0.00 H new ATOM 0 HE22 GLN B 259 119.758 -5.938 0.652 1.00 0.00 H new ATOM 1775 N LEU B 260 116.076 -3.208 5.374 1.00 0.00 N ATOM 1776 CA LEU B 260 116.439 -1.789 5.698 1.00 0.00 C ATOM 1777 C LEU B 260 116.358 -1.553 7.209 1.00 0.00 C ATOM 1778 O LEU B 260 117.227 -0.928 7.791 1.00 0.00 O ATOM 1779 CB LEU B 260 115.409 -0.922 4.966 1.00 0.00 C ATOM 1780 CG LEU B 260 115.588 -1.075 3.455 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.396 -0.445 2.733 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.875 -0.369 3.019 1.00 0.00 C ATOM 0 H LEU B 260 115.205 -3.323 4.856 1.00 0.00 H new ATOM 0 HA LEU B 260 117.457 -1.551 5.390 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.400 -1.217 5.254 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.529 0.123 5.252 1.00 0.00 H new ATOM 0 HG LEU B 260 115.649 -2.134 3.203 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.524 -0.554 1.656 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.478 -0.945 3.042 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.336 0.614 2.986 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.003 -0.478 1.942 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.813 0.689 3.272 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.727 -0.815 3.532 1.00 0.00 H new ATOM 1794 N LEU B 261 115.324 -2.048 7.845 1.00 0.00 N ATOM 1795 CA LEU B 261 115.218 -1.909 9.333 1.00 0.00 C ATOM 1796 C LEU B 261 116.264 -2.801 10.009 1.00 0.00 C ATOM 1797 O LEU B 261 116.836 -2.443 11.021 1.00 0.00 O ATOM 1798 CB LEU B 261 113.799 -2.368 9.688 1.00 0.00 C ATOM 1799 CG LEU B 261 113.453 -1.923 11.112 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.285 -0.402 11.149 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.145 -2.586 11.550 1.00 0.00 C ATOM 0 H LEU B 261 114.550 -2.541 7.400 1.00 0.00 H new ATOM 0 HA LEU B 261 115.398 -0.888 9.669 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.083 -1.948 8.981 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.727 -3.453 9.608 1.00 0.00 H new ATOM 0 HG LEU B 261 114.257 -2.217 11.787 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.039 -0.088 12.163 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.214 0.074 10.837 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.482 -0.108 10.473 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.898 -2.270 12.563 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.343 -2.292 10.873 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.261 -3.670 11.526 1.00 0.00 H new ATOM 1813 N SER B 262 116.511 -3.964 9.449 1.00 0.00 N ATOM 1814 CA SER B 262 117.573 -4.869 10.001 1.00 0.00 C ATOM 1815 C SER B 262 118.951 -4.203 9.906 1.00 0.00 C ATOM 1816 O SER B 262 119.789 -4.370 10.773 1.00 0.00 O ATOM 1817 CB SER B 262 117.531 -6.122 9.125 1.00 0.00 C ATOM 1818 OG SER B 262 118.401 -7.106 9.671 1.00 0.00 O ATOM 0 H SER B 262 116.021 -4.326 8.631 1.00 0.00 H new ATOM 0 HA SER B 262 117.402 -5.098 11.053 1.00 0.00 H new ATOM 0 HB2 SER B 262 116.513 -6.509 9.072 1.00 0.00 H new ATOM 0 HB3 SER B 262 117.833 -5.878 8.106 1.00 0.00 H new ATOM 0 HG SER B 262 118.375 -7.911 9.113 1.00 0.00 H new ATOM 1824 N LEU B 263 119.188 -3.450 8.855 1.00 0.00 N ATOM 1825 CA LEU B 263 120.519 -2.778 8.686 1.00 0.00 C ATOM 1826 C LEU B 263 120.740 -1.752 9.801 1.00 0.00 C ATOM 1827 O LEU B 263 121.806 -1.676 10.383 1.00 0.00 O ATOM 1828 CB LEU B 263 120.456 -2.076 7.325 1.00 0.00 C ATOM 1829 CG LEU B 263 120.678 -3.097 6.208 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.110 -2.551 4.897 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.179 -3.352 6.043 1.00 0.00 C ATOM 0 H LEU B 263 118.517 -3.272 8.107 1.00 0.00 H new ATOM 0 HA LEU B 263 121.341 -3.492 8.736 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.488 -1.590 7.200 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.214 -1.295 7.273 1.00 0.00 H new ATOM 0 HG LEU B 263 120.174 -4.029 6.463 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.268 -3.279 4.101 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.042 -2.366 5.012 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.614 -1.619 4.642 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.339 -4.080 5.247 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.681 -2.419 5.788 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.587 -3.740 6.976 1.00 0.00 H new