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= -0.75 K(o=-0.75,f=-10!) USER MOD Set 1.2: A 19 SER OG : rot -170:sc= 0 USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -1.38 USER MOD Set 2.2: A 27 ASN : amide:sc= -0.176 K(o=-1.6,f=-7.9!) USER MOD Single : A 2 SER OG : rot 32:sc= 0.122 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -6.64! C(o=-6.6!,f=-10!) USER MOD Single : A 16 ASN : amide:sc= -1.66 K(o=-1.7,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -2.39 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= -0.0566 X(o=-0.057,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 43 SER OG : rot 71:sc= 0.176 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 7:sc= 0.816 USER MOD Single : A 49 THR OG1 : rot -89:sc= 0.394 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00968) USER MOD Single : B 257 SER OG : rot 35:sc= 0.261 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc=-0.00393 K(o=-0.0039,f=-0.77) USER MOD Single : B 262 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.315 -1.798 -0.409 1.00 0.00 N ATOM 45 CA SER A 2 123.447 -0.762 0.661 1.00 0.00 C ATOM 46 C SER A 2 122.315 0.263 0.546 1.00 0.00 C ATOM 47 O SER A 2 121.547 0.244 -0.399 1.00 0.00 O ATOM 48 CB SER A 2 124.800 -0.097 0.410 1.00 0.00 C ATOM 49 OG SER A 2 125.834 -1.055 0.590 1.00 0.00 O ATOM 0 HA SER A 2 123.386 -1.193 1.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.837 0.309 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 2 124.940 0.739 1.095 1.00 0.00 H new ATOM 0 HG SER A 2 125.506 -1.942 0.335 1.00 0.00 H new ATOM 55 N VAL A 3 122.212 1.155 1.501 1.00 0.00 N ATOM 56 CA VAL A 3 121.121 2.184 1.468 1.00 0.00 C ATOM 57 C VAL A 3 121.329 3.143 0.285 1.00 0.00 C ATOM 58 O VAL A 3 120.384 3.704 -0.234 1.00 0.00 O ATOM 59 CB VAL A 3 121.219 2.934 2.805 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.143 4.027 2.879 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.009 1.953 3.964 1.00 0.00 C ATOM 0 H VAL A 3 122.837 1.216 2.305 1.00 0.00 H new ATOM 0 HA VAL A 3 120.138 1.732 1.338 1.00 0.00 H new ATOM 0 HB VAL A 3 122.206 3.390 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.222 4.552 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.286 4.734 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.156 3.572 2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.079 2.488 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.024 1.494 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.774 1.178 3.928 1.00 0.00 H new ATOM 71 N ALA A 4 122.560 3.337 -0.141 1.00 0.00 N ATOM 72 CA ALA A 4 122.836 4.279 -1.280 1.00 0.00 C ATOM 73 C ALA A 4 122.009 3.886 -2.511 1.00 0.00 C ATOM 74 O ALA A 4 121.622 4.724 -3.305 1.00 0.00 O ATOM 75 CB ALA A 4 124.331 4.129 -1.578 1.00 0.00 C ATOM 0 H ALA A 4 123.385 2.883 0.251 1.00 0.00 H new ATOM 0 HA ALA A 4 122.571 5.306 -1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.606 4.789 -2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.907 4.395 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.545 3.096 -1.854 1.00 0.00 H new ATOM 81 N ASP A 5 121.741 2.612 -2.665 1.00 0.00 N ATOM 82 CA ASP A 5 120.840 2.155 -3.772 1.00 0.00 C ATOM 83 C ASP A 5 119.400 2.615 -3.508 1.00 0.00 C ATOM 84 O ASP A 5 118.645 2.873 -4.428 1.00 0.00 O ATOM 85 CB ASP A 5 120.922 0.626 -3.764 1.00 0.00 C ATOM 86 CG ASP A 5 122.334 0.186 -4.154 1.00 0.00 C ATOM 87 OD1 ASP A 5 123.157 0.043 -3.264 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.569 -0.001 -5.337 1.00 0.00 O ATOM 0 H ASP A 5 122.107 1.867 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 5 121.138 2.569 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.671 0.243 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.195 0.209 -4.461 1.00 0.00 H new ATOM 93 N PHE A 6 119.019 2.719 -2.256 1.00 0.00 N ATOM 94 CA PHE A 6 117.623 3.139 -1.915 1.00 0.00 C ATOM 95 C PHE A 6 117.540 4.651 -1.636 1.00 0.00 C ATOM 96 O PHE A 6 116.527 5.135 -1.166 1.00 0.00 O ATOM 97 CB PHE A 6 117.267 2.345 -0.657 1.00 0.00 C ATOM 98 CG PHE A 6 117.172 0.856 -0.891 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.321 0.040 -0.738 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.936 0.275 -1.263 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.231 -1.356 -0.958 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.846 -1.121 -1.483 1.00 0.00 C ATOM 103 CZ PHE A 6 116.995 -1.937 -1.330 1.00 0.00 C ATOM 0 H PHE A 6 119.619 2.530 -1.453 1.00 0.00 H new ATOM 0 HA PHE A 6 116.937 2.945 -2.739 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.018 2.537 0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.315 2.705 -0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.264 0.483 -0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.061 0.897 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.106 -1.978 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.903 -1.564 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.927 -3.002 -1.497 1.00 0.00 H new ATOM 113 N TYR A 7 118.587 5.399 -1.916 1.00 0.00 N ATOM 114 CA TYR A 7 118.506 6.892 -1.769 1.00 0.00 C ATOM 115 C TYR A 7 117.538 7.469 -2.810 1.00 0.00 C ATOM 116 O TYR A 7 117.523 7.052 -3.953 1.00 0.00 O ATOM 117 CB TYR A 7 119.932 7.402 -2.040 1.00 0.00 C ATOM 118 CG TYR A 7 120.826 7.498 -0.812 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.518 6.782 0.376 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.989 8.308 -0.860 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.373 6.877 1.502 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.838 8.403 0.267 1.00 0.00 C ATOM 123 CZ TYR A 7 122.532 7.687 1.446 1.00 0.00 C ATOM 124 OH TYR A 7 123.368 7.779 2.539 1.00 0.00 O ATOM 0 H TYR A 7 119.487 5.043 -2.237 1.00 0.00 H new ATOM 0 HA TYR A 7 118.144 7.188 -0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.406 6.741 -2.765 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.868 8.387 -2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.632 6.165 0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.227 8.854 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.140 6.331 2.404 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.721 9.023 0.226 1.00 0.00 H new ATOM 0 HH TYR A 7 124.116 8.376 2.329 1.00 0.00 H new ATOM 134 N GLY A 8 116.733 8.425 -2.415 1.00 0.00 N ATOM 135 CA GLY A 8 115.690 8.975 -3.338 1.00 0.00 C ATOM 136 C GLY A 8 114.436 8.083 -3.331 1.00 0.00 C ATOM 137 O GLY A 8 113.473 8.368 -4.018 1.00 0.00 O ATOM 0 H GLY A 8 116.753 8.850 -1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.424 9.987 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.090 9.041 -4.350 1.00 0.00 H new ATOM 141 N SER A 9 114.435 7.009 -2.568 1.00 0.00 N ATOM 142 CA SER A 9 113.237 6.111 -2.529 1.00 0.00 C ATOM 143 C SER A 9 112.125 6.736 -1.680 1.00 0.00 C ATOM 144 O SER A 9 112.376 7.285 -0.623 1.00 0.00 O ATOM 145 CB SER A 9 113.728 4.813 -1.884 1.00 0.00 C ATOM 146 OG SER A 9 112.683 3.851 -1.912 1.00 0.00 O ATOM 0 H SER A 9 115.212 6.719 -1.974 1.00 0.00 H new ATOM 0 HA SER A 9 112.823 5.944 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.600 4.435 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.039 4.999 -0.856 1.00 0.00 H new ATOM 0 HG SER A 9 112.994 3.018 -1.501 1.00 0.00 H new ATOM 152 N ASN A 10 110.901 6.654 -2.139 1.00 0.00 N ATOM 153 CA ASN A 10 109.745 7.123 -1.309 1.00 0.00 C ATOM 154 C ASN A 10 109.321 6.009 -0.353 1.00 0.00 C ATOM 155 O ASN A 10 108.870 4.958 -0.773 1.00 0.00 O ATOM 156 CB ASN A 10 108.617 7.420 -2.305 1.00 0.00 C ATOM 157 CG ASN A 10 109.022 8.569 -3.232 1.00 0.00 C ATOM 158 OD1 ASN A 10 110.128 8.605 -3.733 1.00 0.00 O ATOM 159 ND2 ASN A 10 108.162 9.518 -3.486 1.00 0.00 N ATOM 0 H ASN A 10 110.650 6.282 -3.055 1.00 0.00 H new ATOM 0 HA ASN A 10 109.995 8.000 -0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.396 6.529 -2.893 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.706 7.681 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 10 108.419 10.288 -4.104 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.233 9.490 -3.066 1.00 0.00 H new ATOM 166 N VAL A 11 109.460 6.234 0.927 1.00 0.00 N ATOM 167 CA VAL A 11 109.100 5.180 1.922 1.00 0.00 C ATOM 168 C VAL A 11 108.445 5.825 3.145 1.00 0.00 C ATOM 169 O VAL A 11 108.566 7.018 3.358 1.00 0.00 O ATOM 170 CB VAL A 11 110.422 4.487 2.300 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.030 3.824 1.061 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.418 5.510 2.867 1.00 0.00 C ATOM 0 H VAL A 11 109.808 7.105 1.328 1.00 0.00 H new ATOM 0 HA VAL A 11 108.387 4.461 1.520 1.00 0.00 H new ATOM 0 HB VAL A 11 110.215 3.732 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 11 111.965 3.335 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.334 3.084 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.224 4.581 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.348 5.005 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.620 6.275 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.994 5.976 3.757 1.00 0.00 H new ATOM 182 N GLU A 12 107.758 5.049 3.945 1.00 0.00 N ATOM 183 CA GLU A 12 107.136 5.615 5.178 1.00 0.00 C ATOM 184 C GLU A 12 107.871 5.101 6.419 1.00 0.00 C ATOM 185 O GLU A 12 108.081 3.914 6.580 1.00 0.00 O ATOM 186 CB GLU A 12 105.693 5.101 5.159 1.00 0.00 C ATOM 187 CG GLU A 12 104.902 5.726 6.314 1.00 0.00 C ATOM 188 CD GLU A 12 103.495 5.127 6.356 1.00 0.00 C ATOM 189 OE1 GLU A 12 102.898 4.988 5.300 1.00 0.00 O ATOM 190 OE2 GLU A 12 103.036 4.816 7.443 1.00 0.00 O ATOM 0 H GLU A 12 107.602 4.052 3.798 1.00 0.00 H new ATOM 0 HA GLU A 12 107.183 6.704 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.222 5.349 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.683 4.015 5.246 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.414 5.544 7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 12 104.844 6.807 6.186 1.00 0.00 H new ATOM 197 N VAL A 13 108.266 5.992 7.292 1.00 0.00 N ATOM 198 CA VAL A 13 109.000 5.574 8.522 1.00 0.00 C ATOM 199 C VAL A 13 108.081 5.696 9.743 1.00 0.00 C ATOM 200 O VAL A 13 107.503 6.738 9.992 1.00 0.00 O ATOM 201 CB VAL A 13 110.182 6.552 8.633 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.040 6.199 9.852 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.049 6.466 7.370 1.00 0.00 C ATOM 0 H VAL A 13 108.110 6.996 7.204 1.00 0.00 H new ATOM 0 HA VAL A 13 109.336 4.538 8.476 1.00 0.00 H new ATOM 0 HB VAL A 13 109.791 7.564 8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.875 6.896 9.924 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.434 6.265 10.755 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.423 5.184 9.746 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.885 7.161 7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.431 5.451 7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.448 6.725 6.498 1.00 0.00 H new ATOM 213 N LEU A 14 107.947 4.635 10.501 1.00 0.00 N ATOM 214 CA LEU A 14 107.157 4.705 11.766 1.00 0.00 C ATOM 215 C LEU A 14 108.109 4.952 12.940 1.00 0.00 C ATOM 216 O LEU A 14 109.071 4.231 13.128 1.00 0.00 O ATOM 217 CB LEU A 14 106.484 3.331 11.888 1.00 0.00 C ATOM 218 CG LEU A 14 105.619 3.274 13.154 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.359 4.118 12.958 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.220 1.823 13.430 1.00 0.00 C ATOM 0 H LEU A 14 108.353 3.722 10.296 1.00 0.00 H new ATOM 0 HA LEU A 14 106.422 5.510 11.767 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.868 3.141 11.009 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.242 2.549 11.921 1.00 0.00 H new ATOM 0 HG LEU A 14 106.187 3.666 13.997 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.748 4.074 13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.641 5.152 12.760 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.789 3.730 12.114 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.605 1.779 14.329 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.653 1.434 12.584 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.117 1.220 13.574 1.00 0.00 H new ATOM 232 N LEU A 15 107.847 5.965 13.727 1.00 0.00 N ATOM 233 CA LEU A 15 108.819 6.360 14.793 1.00 0.00 C ATOM 234 C LEU A 15 108.434 5.746 16.146 1.00 0.00 C ATOM 235 O LEU A 15 107.343 5.237 16.323 1.00 0.00 O ATOM 236 CB LEU A 15 108.745 7.887 14.855 1.00 0.00 C ATOM 237 CG LEU A 15 109.300 8.481 13.557 1.00 0.00 C ATOM 238 CD1 LEU A 15 108.967 9.973 13.496 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.819 8.300 13.522 1.00 0.00 C ATOM 0 H LEU A 15 107.003 6.535 13.678 1.00 0.00 H new ATOM 0 HA LEU A 15 109.826 6.006 14.571 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.713 8.206 15.000 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.315 8.255 15.708 1.00 0.00 H new ATOM 0 HG LEU A 15 108.852 7.971 12.704 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.362 10.396 12.572 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.885 10.106 13.523 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.416 10.481 14.349 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.215 8.723 12.598 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.266 8.810 14.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.060 7.238 13.567 1.00 0.00 H new ATOM 251 N ASN A 16 109.338 5.798 17.100 1.00 0.00 N ATOM 252 CA ASN A 16 109.091 5.167 18.443 1.00 0.00 C ATOM 253 C ASN A 16 107.840 5.749 19.123 1.00 0.00 C ATOM 254 O ASN A 16 107.255 5.129 19.991 1.00 0.00 O ATOM 255 CB ASN A 16 110.347 5.476 19.279 1.00 0.00 C ATOM 256 CG ASN A 16 110.567 6.992 19.379 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.711 7.713 19.856 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.685 7.507 18.947 1.00 0.00 N ATOM 0 H ASN A 16 110.245 6.255 17.005 1.00 0.00 H new ATOM 0 HA ASN A 16 108.912 4.096 18.344 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.240 5.052 20.277 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.219 5.005 18.824 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.841 8.513 19.009 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.403 6.904 18.547 1.00 0.00 H new ATOM 265 N ASN A 17 107.431 6.933 18.731 1.00 0.00 N ATOM 266 CA ASN A 17 106.272 7.599 19.406 1.00 0.00 C ATOM 267 C ASN A 17 104.954 7.278 18.678 1.00 0.00 C ATOM 268 O ASN A 17 103.995 8.020 18.776 1.00 0.00 O ATOM 269 CB ASN A 17 106.583 9.106 19.350 1.00 0.00 C ATOM 270 CG ASN A 17 106.646 9.601 17.896 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.800 8.821 16.977 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.533 10.878 17.651 1.00 0.00 N ATOM 0 H ASN A 17 107.851 7.468 17.971 1.00 0.00 H new ATOM 0 HA ASN A 17 106.144 7.251 20.431 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.817 9.660 19.894 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.533 9.304 19.847 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.574 11.219 16.690 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.404 11.535 18.420 1.00 0.00 H new ATOM 279 N ASP A 18 104.904 6.179 17.946 1.00 0.00 N ATOM 280 CA ASP A 18 103.632 5.741 17.271 1.00 0.00 C ATOM 281 C ASP A 18 103.127 6.829 16.311 1.00 0.00 C ATOM 282 O ASP A 18 101.942 6.933 16.053 1.00 0.00 O ATOM 283 CB ASP A 18 102.609 5.494 18.394 1.00 0.00 C ATOM 284 CG ASP A 18 103.094 4.352 19.291 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.588 3.371 18.758 1.00 0.00 O ATOM 286 OD2 ASP A 18 102.963 4.477 20.498 1.00 0.00 O ATOM 0 H ASP A 18 105.701 5.562 17.788 1.00 0.00 H new ATOM 0 HA ASP A 18 103.791 4.841 16.677 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.476 6.401 18.984 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.638 5.246 17.966 1.00 0.00 H new ATOM 291 N SER A 19 104.020 7.638 15.782 1.00 0.00 N ATOM 292 CA SER A 19 103.623 8.610 14.721 1.00 0.00 C ATOM 293 C SER A 19 104.151 8.132 13.368 1.00 0.00 C ATOM 294 O SER A 19 105.223 7.562 13.279 1.00 0.00 O ATOM 295 CB SER A 19 104.286 9.928 15.122 1.00 0.00 C ATOM 296 OG SER A 19 103.832 10.308 16.415 1.00 0.00 O ATOM 0 H SER A 19 105.006 7.663 16.043 1.00 0.00 H new ATOM 0 HA SER A 19 102.542 8.715 14.630 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.370 9.817 15.123 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.045 10.705 14.396 1.00 0.00 H new ATOM 0 HG SER A 19 104.127 11.222 16.610 1.00 0.00 H new ATOM 302 N LYS A 20 103.405 8.359 12.315 1.00 0.00 N ATOM 303 CA LYS A 20 103.819 7.847 10.972 1.00 0.00 C ATOM 304 C LYS A 20 104.245 9.002 10.065 1.00 0.00 C ATOM 305 O LYS A 20 103.742 10.106 10.173 1.00 0.00 O ATOM 306 CB LYS A 20 102.564 7.177 10.409 1.00 0.00 C ATOM 307 CG LYS A 20 102.290 5.879 11.167 1.00 0.00 C ATOM 308 CD LYS A 20 101.017 5.228 10.623 1.00 0.00 C ATOM 309 CE LYS A 20 100.680 3.990 11.454 1.00 0.00 C ATOM 310 NZ LYS A 20 99.207 3.819 11.313 1.00 0.00 N ATOM 0 H LYS A 20 102.527 8.877 12.328 1.00 0.00 H new ATOM 0 HA LYS A 20 104.666 7.164 11.037 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.710 7.849 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.696 6.969 9.347 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.134 5.198 11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.180 6.084 12.232 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.190 5.938 10.657 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.156 4.950 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.216 3.113 11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.963 4.126 12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 98.900 2.987 11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.723 4.666 11.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 98.968 3.684 10.310 1.00 0.00 H new ATOM 324 N ALA A 21 105.170 8.751 9.172 1.00 0.00 N ATOM 325 CA ALA A 21 105.580 9.803 8.190 1.00 0.00 C ATOM 326 C ALA A 21 106.111 9.154 6.909 1.00 0.00 C ATOM 327 O ALA A 21 106.602 8.041 6.930 1.00 0.00 O ATOM 328 CB ALA A 21 106.684 10.595 8.891 1.00 0.00 C ATOM 0 H ALA A 21 105.660 7.861 9.080 1.00 0.00 H new ATOM 0 HA ALA A 21 104.746 10.442 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.038 11.388 8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.291 11.034 9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.512 9.929 9.134 1.00 0.00 H new ATOM 334 N ARG A 22 106.013 9.843 5.796 1.00 0.00 N ATOM 335 CA ARG A 22 106.547 9.286 4.512 1.00 0.00 C ATOM 336 C ARG A 22 107.143 10.401 3.650 1.00 0.00 C ATOM 337 O ARG A 22 106.634 11.505 3.615 1.00 0.00 O ATOM 338 CB ARG A 22 105.346 8.627 3.815 1.00 0.00 C ATOM 339 CG ARG A 22 104.245 9.663 3.548 1.00 0.00 C ATOM 340 CD ARG A 22 102.971 8.947 3.087 1.00 0.00 C ATOM 341 NE ARG A 22 102.004 10.039 2.743 1.00 0.00 N ATOM 342 CZ ARG A 22 100.934 9.803 2.006 1.00 0.00 C ATOM 343 NH1 ARG A 22 100.664 8.602 1.546 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.122 10.787 1.729 1.00 0.00 N ATOM 0 H ARG A 22 105.586 10.767 5.722 1.00 0.00 H new ATOM 0 HA ARG A 22 107.348 8.567 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.665 8.177 2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 22 104.954 7.822 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.045 10.238 4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.573 10.370 2.786 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.168 8.310 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.575 8.304 3.873 1.00 0.00 H new ATOM 0 HE ARG A 22 102.176 10.984 3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.288 7.823 1.756 1.00 0.00 H new ATOM 0 HH12 ARG A 22 99.830 8.449 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.318 11.724 2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.292 10.619 1.161 1.00 0.00 H new ATOM 358 N GLY A 23 108.217 10.112 2.956 1.00 0.00 N ATOM 359 CA GLY A 23 108.926 11.171 2.177 1.00 0.00 C ATOM 360 C GLY A 23 110.004 10.513 1.315 1.00 0.00 C ATOM 361 O GLY A 23 110.277 9.335 1.452 1.00 0.00 O ATOM 0 H GLY A 23 108.634 9.183 2.896 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.220 11.713 1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.376 11.899 2.853 1.00 0.00 H new ATOM 365 N VAL A 24 110.620 11.260 0.431 1.00 0.00 N ATOM 366 CA VAL A 24 111.628 10.653 -0.495 1.00 0.00 C ATOM 367 C VAL A 24 113.028 10.821 0.098 1.00 0.00 C ATOM 368 O VAL A 24 113.493 11.926 0.297 1.00 0.00 O ATOM 369 CB VAL A 24 111.509 11.441 -1.812 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.419 10.807 -2.872 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.053 11.426 -2.314 1.00 0.00 C ATOM 0 H VAL A 24 110.469 12.262 0.310 1.00 0.00 H new ATOM 0 HA VAL A 24 111.457 9.588 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 24 111.812 12.473 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.335 11.365 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.452 10.832 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.117 9.773 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.984 11.987 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.738 10.397 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.406 11.884 -1.566 1.00 0.00 H new ATOM 381 N ILE A 25 113.700 9.732 0.377 1.00 0.00 N ATOM 382 CA ILE A 25 115.001 9.814 1.122 1.00 0.00 C ATOM 383 C ILE A 25 116.044 10.582 0.297 1.00 0.00 C ATOM 384 O ILE A 25 116.092 10.472 -0.911 1.00 0.00 O ATOM 385 CB ILE A 25 115.439 8.353 1.347 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.400 7.635 2.218 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.804 8.309 2.052 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.601 6.121 2.113 1.00 0.00 C ATOM 0 H ILE A 25 113.407 8.789 0.123 1.00 0.00 H new ATOM 0 HA ILE A 25 114.898 10.348 2.066 1.00 0.00 H new ATOM 0 HB ILE A 25 115.519 7.857 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.497 7.954 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.393 7.902 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.101 7.272 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.548 8.813 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.732 8.811 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 25 113.862 5.612 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.481 5.809 1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.603 5.862 2.457 1.00 0.00 H new ATOM 400 N THR A 26 116.872 11.359 0.952 1.00 0.00 N ATOM 401 CA THR A 26 117.912 12.147 0.226 1.00 0.00 C ATOM 402 C THR A 26 119.320 11.789 0.711 1.00 0.00 C ATOM 403 O THR A 26 120.273 11.908 -0.039 1.00 0.00 O ATOM 404 CB THR A 26 117.600 13.615 0.522 1.00 0.00 C ATOM 405 OG1 THR A 26 117.273 13.769 1.897 1.00 0.00 O ATOM 406 CG2 THR A 26 116.424 14.070 -0.340 1.00 0.00 C ATOM 0 H THR A 26 116.871 11.481 1.965 1.00 0.00 H new ATOM 0 HA THR A 26 117.892 11.934 -0.843 1.00 0.00 H new ATOM 0 HB THR A 26 118.475 14.223 0.292 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.778 14.605 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.202 15.116 -0.129 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.681 13.959 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.549 13.460 -0.113 1.00 0.00 H new ATOM 414 N ASN A 27 119.477 11.353 1.948 1.00 0.00 N ATOM 415 CA ASN A 27 120.860 11.053 2.443 1.00 0.00 C ATOM 416 C ASN A 27 120.832 10.164 3.688 1.00 0.00 C ATOM 417 O ASN A 27 119.848 10.093 4.393 1.00 0.00 O ATOM 418 CB ASN A 27 121.470 12.417 2.778 1.00 0.00 C ATOM 419 CG ASN A 27 122.985 12.375 2.569 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.616 11.361 2.796 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.602 13.444 2.142 1.00 0.00 N ATOM 0 H ASN A 27 118.724 11.196 2.618 1.00 0.00 H new ATOM 0 HA ASN A 27 121.438 10.510 1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 27 121.028 13.188 2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.244 12.683 3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.612 13.427 1.999 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.074 14.296 1.951 1.00 0.00 H new ATOM 428 N PHE A 28 121.926 9.486 3.947 1.00 0.00 N ATOM 429 CA PHE A 28 122.101 8.756 5.243 1.00 0.00 C ATOM 430 C PHE A 28 123.590 8.713 5.601 1.00 0.00 C ATOM 431 O PHE A 28 124.415 8.292 4.811 1.00 0.00 O ATOM 432 CB PHE A 28 121.551 7.344 5.006 1.00 0.00 C ATOM 433 CG PHE A 28 121.762 6.405 6.175 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.010 6.571 7.363 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.718 5.363 6.082 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.213 5.695 8.457 1.00 0.00 C ATOM 437 CE2 PHE A 28 122.919 4.487 7.175 1.00 0.00 C ATOM 438 CZ PHE A 28 122.168 4.653 8.363 1.00 0.00 C ATOM 0 H PHE A 28 122.715 9.407 3.306 1.00 0.00 H new ATOM 0 HA PHE A 28 121.580 9.240 6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.484 7.410 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.028 6.922 4.121 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.282 7.365 7.435 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.293 5.237 5.177 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.639 5.821 9.363 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.646 3.691 7.103 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.323 3.985 9.198 1.00 0.00 H new ATOM 448 N ASP A 29 123.933 9.149 6.789 1.00 0.00 N ATOM 449 CA ASP A 29 125.367 9.188 7.195 1.00 0.00 C ATOM 450 C ASP A 29 125.669 7.981 8.075 1.00 0.00 C ATOM 451 O ASP A 29 124.947 7.708 9.008 1.00 0.00 O ATOM 452 CB ASP A 29 125.519 10.487 7.990 1.00 0.00 C ATOM 453 CG ASP A 29 126.999 10.737 8.284 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.465 10.278 9.314 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.642 11.384 7.474 1.00 0.00 O ATOM 0 H ASP A 29 123.276 9.480 7.496 1.00 0.00 H new ATOM 0 HA ASP A 29 126.051 9.157 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.104 11.322 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.958 10.423 8.922 1.00 0.00 H new ATOM 460 N SER A 30 126.724 7.261 7.787 1.00 0.00 N ATOM 461 CA SER A 30 127.012 6.010 8.560 1.00 0.00 C ATOM 462 C SER A 30 127.406 6.345 10.001 1.00 0.00 C ATOM 463 O SER A 30 126.886 5.772 10.940 1.00 0.00 O ATOM 464 CB SER A 30 128.176 5.337 7.829 1.00 0.00 C ATOM 465 OG SER A 30 127.840 5.178 6.457 1.00 0.00 O ATOM 0 H SER A 30 127.397 7.483 7.053 1.00 0.00 H new ATOM 0 HA SER A 30 126.138 5.361 8.615 1.00 0.00 H new ATOM 0 HB2 SER A 30 129.079 5.940 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.390 4.367 8.278 1.00 0.00 H new ATOM 0 HG SER A 30 128.584 4.749 5.986 1.00 0.00 H new ATOM 471 N SER A 31 128.318 7.271 10.181 1.00 0.00 N ATOM 472 CA SER A 31 128.850 7.559 11.557 1.00 0.00 C ATOM 473 C SER A 31 127.720 7.992 12.500 1.00 0.00 C ATOM 474 O SER A 31 127.644 7.547 13.631 1.00 0.00 O ATOM 475 CB SER A 31 129.853 8.699 11.374 1.00 0.00 C ATOM 476 OG SER A 31 130.827 8.318 10.412 1.00 0.00 O ATOM 0 H SER A 31 128.719 7.841 9.436 1.00 0.00 H new ATOM 0 HA SER A 31 129.309 6.676 12.001 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.338 9.603 11.049 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.335 8.931 12.324 1.00 0.00 H new ATOM 0 HG SER A 31 131.470 9.047 10.291 1.00 0.00 H new ATOM 482 N ASN A 32 126.847 8.854 12.041 1.00 0.00 N ATOM 483 CA ASN A 32 125.742 9.352 12.919 1.00 0.00 C ATOM 484 C ASN A 32 124.398 8.688 12.567 1.00 0.00 C ATOM 485 O ASN A 32 123.426 8.848 13.281 1.00 0.00 O ATOM 486 CB ASN A 32 125.673 10.858 12.649 1.00 0.00 C ATOM 487 CG ASN A 32 126.965 11.530 13.123 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.588 12.266 12.382 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.398 11.306 14.333 1.00 0.00 N ATOM 0 H ASN A 32 126.851 9.235 11.095 1.00 0.00 H new ATOM 0 HA ASN A 32 125.932 9.120 13.967 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.527 11.039 11.584 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.816 11.291 13.166 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.258 11.748 14.657 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.876 10.689 14.955 1.00 0.00 H new ATOM 496 N SER A 33 124.331 7.941 11.478 1.00 0.00 N ATOM 497 CA SER A 33 123.020 7.366 11.008 1.00 0.00 C ATOM 498 C SER A 33 121.932 8.450 10.957 1.00 0.00 C ATOM 499 O SER A 33 120.978 8.427 11.716 1.00 0.00 O ATOM 500 CB SER A 33 122.667 6.274 12.023 1.00 0.00 C ATOM 501 OG SER A 33 123.772 5.391 12.167 1.00 0.00 O ATOM 0 H SER A 33 125.133 7.705 10.894 1.00 0.00 H new ATOM 0 HA SER A 33 123.093 6.964 9.997 1.00 0.00 H new ATOM 0 HB2 SER A 33 122.417 6.722 12.985 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.787 5.723 11.690 1.00 0.00 H new ATOM 0 HG SER A 33 123.550 4.692 12.817 1.00 0.00 H new ATOM 507 N ILE A 34 122.077 9.398 10.064 1.00 0.00 N ATOM 508 CA ILE A 34 121.111 10.545 10.014 1.00 0.00 C ATOM 509 C ILE A 34 120.465 10.605 8.630 1.00 0.00 C ATOM 510 O ILE A 34 121.146 10.660 7.627 1.00 0.00 O ATOM 511 CB ILE A 34 121.950 11.808 10.283 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.721 11.675 11.616 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.034 13.039 10.337 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.757 11.534 12.809 1.00 0.00 C ATOM 0 H ILE A 34 122.821 9.429 9.367 1.00 0.00 H new ATOM 0 HA ILE A 34 120.308 10.446 10.745 1.00 0.00 H new ATOM 0 HB ILE A 34 122.670 11.925 9.473 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.379 10.807 11.573 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.356 12.549 11.760 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.633 13.930 10.528 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.514 13.148 9.385 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.304 12.914 11.137 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.331 11.442 13.731 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.117 12.414 12.866 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.140 10.645 12.675 1.00 0.00 H new ATOM 526 N LEU A 35 119.156 10.604 8.573 1.00 0.00 N ATOM 527 CA LEU A 35 118.454 10.411 7.268 1.00 0.00 C ATOM 528 C LEU A 35 117.661 11.663 6.899 1.00 0.00 C ATOM 529 O LEU A 35 116.773 12.080 7.619 1.00 0.00 O ATOM 530 CB LEU A 35 117.507 9.232 7.509 1.00 0.00 C ATOM 531 CG LEU A 35 116.893 8.778 6.181 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.820 7.761 5.508 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.533 8.124 6.446 1.00 0.00 C ATOM 0 H LEU A 35 118.542 10.729 9.378 1.00 0.00 H new ATOM 0 HA LEU A 35 119.148 10.225 6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.050 8.407 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.719 9.523 8.204 1.00 0.00 H new ATOM 0 HG LEU A 35 116.764 9.641 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.382 7.439 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.790 8.221 5.320 1.00 0.00 H new ATOM 0 HD13 LEU A 35 117.949 6.898 6.161 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.095 7.800 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.665 7.262 7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.870 8.844 6.926 1.00 0.00 H new ATOM 545 N GLN A 36 117.983 12.262 5.779 1.00 0.00 N ATOM 546 CA GLN A 36 117.183 13.419 5.288 1.00 0.00 C ATOM 547 C GLN A 36 116.067 12.918 4.372 1.00 0.00 C ATOM 548 O GLN A 36 116.298 12.088 3.513 1.00 0.00 O ATOM 549 CB GLN A 36 118.171 14.283 4.503 1.00 0.00 C ATOM 550 CG GLN A 36 119.181 14.909 5.467 1.00 0.00 C ATOM 551 CD GLN A 36 120.221 15.706 4.677 1.00 0.00 C ATOM 552 OE1 GLN A 36 120.605 15.319 3.591 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.696 16.811 5.181 1.00 0.00 N ATOM 0 H GLN A 36 118.768 11.996 5.184 1.00 0.00 H new ATOM 0 HA GLN A 36 116.714 13.977 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.689 13.677 3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.637 15.064 3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.668 15.562 6.173 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.672 14.130 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 36 120.374 17.136 6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.390 17.351 4.664 1.00 0.00 H new ATOM 562 N LEU A 37 114.866 13.411 4.555 1.00 0.00 N ATOM 563 CA LEU A 37 113.750 13.059 3.625 1.00 0.00 C ATOM 564 C LEU A 37 113.239 14.319 2.921 1.00 0.00 C ATOM 565 O LEU A 37 112.849 15.278 3.561 1.00 0.00 O ATOM 566 CB LEU A 37 112.651 12.477 4.521 1.00 0.00 C ATOM 567 CG LEU A 37 112.906 10.987 4.760 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.060 10.509 5.943 1.00 0.00 C ATOM 569 CD2 LEU A 37 112.515 10.196 3.510 1.00 0.00 C ATOM 0 H LEU A 37 114.611 14.045 5.312 1.00 0.00 H new ATOM 0 HA LEU A 37 114.064 12.357 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.627 13.008 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.677 12.617 4.053 1.00 0.00 H new ATOM 0 HG LEU A 37 113.963 10.831 4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.241 9.448 6.114 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.332 11.072 6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.004 10.666 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 37 112.696 9.135 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 37 111.458 10.354 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.112 10.535 2.663 1.00 0.00 H new ATOM 581 N ARG A 38 113.240 14.319 1.612 1.00 0.00 N ATOM 582 CA ARG A 38 112.667 15.477 0.856 1.00 0.00 C ATOM 583 C ARG A 38 111.229 15.161 0.436 1.00 0.00 C ATOM 584 O ARG A 38 110.997 14.377 -0.467 1.00 0.00 O ATOM 585 CB ARG A 38 113.567 15.636 -0.372 1.00 0.00 C ATOM 586 CG ARG A 38 113.141 16.871 -1.172 1.00 0.00 C ATOM 587 CD ARG A 38 114.018 17.000 -2.421 1.00 0.00 C ATOM 588 NE ARG A 38 113.618 18.299 -3.046 1.00 0.00 N ATOM 589 CZ ARG A 38 112.495 18.422 -3.730 1.00 0.00 C ATOM 590 NH1 ARG A 38 111.668 17.415 -3.886 1.00 0.00 N ATOM 591 NH2 ARG A 38 112.199 19.576 -4.262 1.00 0.00 N ATOM 0 H ARG A 38 113.613 13.567 1.033 1.00 0.00 H new ATOM 0 HA ARG A 38 112.634 16.390 1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.607 15.734 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.504 14.746 -0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 38 112.093 16.788 -1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 38 113.233 17.766 -0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 38 115.077 16.997 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.855 16.167 -3.105 1.00 0.00 H new ATOM 0 HE ARG A 38 114.228 19.110 -2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 38 111.886 16.508 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 38 110.808 17.540 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.831 20.368 -4.147 1.00 0.00 H new ATOM 0 HH22 ARG A 38 111.335 19.686 -4.793 1.00 0.00 H new ATOM 605 N LEU A 39 110.267 15.766 1.085 1.00 0.00 N ATOM 606 CA LEU A 39 108.840 15.411 0.818 1.00 0.00 C ATOM 607 C LEU A 39 108.299 16.191 -0.386 1.00 0.00 C ATOM 608 O LEU A 39 108.743 17.288 -0.682 1.00 0.00 O ATOM 609 CB LEU A 39 108.093 15.789 2.105 1.00 0.00 C ATOM 610 CG LEU A 39 106.669 15.208 2.108 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.700 13.695 1.874 1.00 0.00 C ATOM 612 CD2 LEU A 39 106.035 15.470 3.472 1.00 0.00 C ATOM 0 H LEU A 39 110.408 16.491 1.789 1.00 0.00 H new ATOM 0 HA LEU A 39 108.717 14.356 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.642 15.419 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 39 108.047 16.874 2.197 1.00 0.00 H new ATOM 0 HG LEU A 39 106.096 15.681 1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.682 13.305 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 39 107.163 13.485 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 39 107.277 13.216 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 39 105.024 15.063 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 39 106.631 14.991 4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.996 16.544 3.655 1.00 0.00 H new ATOM 624 N ALA A 40 107.333 15.623 -1.074 1.00 0.00 N ATOM 625 CA ALA A 40 106.848 16.220 -2.364 1.00 0.00 C ATOM 626 C ALA A 40 106.120 17.557 -2.142 1.00 0.00 C ATOM 627 O ALA A 40 105.720 18.204 -3.093 1.00 0.00 O ATOM 628 CB ALA A 40 105.881 15.185 -2.947 1.00 0.00 C ATOM 0 H ALA A 40 106.856 14.765 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 40 107.683 16.438 -3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.484 15.551 -3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.410 14.247 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.060 15.020 -2.249 1.00 0.00 H new ATOM 634 N ASN A 41 105.941 17.980 -0.910 1.00 0.00 N ATOM 635 CA ASN A 41 105.368 19.340 -0.654 1.00 0.00 C ATOM 636 C ASN A 41 106.476 20.408 -0.632 1.00 0.00 C ATOM 637 O ASN A 41 106.340 21.427 0.019 1.00 0.00 O ATOM 638 CB ASN A 41 104.698 19.239 0.719 1.00 0.00 C ATOM 639 CG ASN A 41 103.466 18.337 0.622 1.00 0.00 C ATOM 640 OD1 ASN A 41 103.534 17.160 0.915 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.331 18.844 0.220 1.00 0.00 N ATOM 0 H ASN A 41 106.167 17.442 -0.073 1.00 0.00 H new ATOM 0 HA ASN A 41 104.667 19.635 -1.435 1.00 0.00 H new ATOM 0 HB2 ASN A 41 105.400 18.836 1.449 1.00 0.00 H new ATOM 0 HB3 ASN A 41 104.409 20.230 1.068 1.00 0.00 H new ATOM 0 HD21 ASN A 41 101.503 18.252 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 41 102.273 19.832 -0.026 1.00 0.00 H new ATOM 648 N ASP A 42 107.578 20.189 -1.338 1.00 0.00 N ATOM 649 CA ASP A 42 108.664 21.226 -1.433 1.00 0.00 C ATOM 650 C ASP A 42 109.271 21.497 -0.051 1.00 0.00 C ATOM 651 O ASP A 42 109.739 22.590 0.217 1.00 0.00 O ATOM 652 CB ASP A 42 107.992 22.494 -1.980 1.00 0.00 C ATOM 653 CG ASP A 42 109.052 23.411 -2.595 1.00 0.00 C ATOM 654 OD1 ASP A 42 109.902 22.906 -3.309 1.00 0.00 O ATOM 655 OD2 ASP A 42 108.996 24.603 -2.340 1.00 0.00 O ATOM 0 H ASP A 42 107.766 19.329 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 42 109.476 20.893 -2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 42 107.247 22.228 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 42 107.467 23.014 -1.179 1.00 0.00 H new ATOM 660 N SER A 43 109.270 20.516 0.832 1.00 0.00 N ATOM 661 CA SER A 43 109.836 20.738 2.198 1.00 0.00 C ATOM 662 C SER A 43 110.914 19.695 2.510 1.00 0.00 C ATOM 663 O SER A 43 110.760 18.525 2.212 1.00 0.00 O ATOM 664 CB SER A 43 108.650 20.578 3.147 1.00 0.00 C ATOM 665 OG SER A 43 107.645 21.524 2.804 1.00 0.00 O ATOM 0 H SER A 43 108.903 19.580 0.661 1.00 0.00 H new ATOM 0 HA SER A 43 110.309 21.716 2.291 1.00 0.00 H new ATOM 0 HB2 SER A 43 108.251 19.566 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.971 20.728 4.178 1.00 0.00 H new ATOM 0 HG SER A 43 107.226 21.264 1.957 1.00 0.00 H new ATOM 671 N THR A 44 112.002 20.119 3.106 1.00 0.00 N ATOM 672 CA THR A 44 113.058 19.152 3.539 1.00 0.00 C ATOM 673 C THR A 44 112.902 18.830 5.029 1.00 0.00 C ATOM 674 O THR A 44 112.422 19.643 5.798 1.00 0.00 O ATOM 675 CB THR A 44 114.400 19.858 3.263 1.00 0.00 C ATOM 676 OG1 THR A 44 115.464 18.994 3.636 1.00 0.00 O ATOM 677 CG2 THR A 44 114.510 21.169 4.060 1.00 0.00 C ATOM 0 H THR A 44 112.204 21.097 3.312 1.00 0.00 H new ATOM 0 HA THR A 44 112.991 18.204 3.005 1.00 0.00 H new ATOM 0 HB THR A 44 114.456 20.095 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 44 116.321 19.436 3.461 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.467 21.646 3.846 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.699 21.838 3.773 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.443 20.953 5.126 1.00 0.00 H new ATOM 685 N LYS A 45 113.303 17.651 5.440 1.00 0.00 N ATOM 686 CA LYS A 45 113.208 17.286 6.887 1.00 0.00 C ATOM 687 C LYS A 45 114.316 16.298 7.261 1.00 0.00 C ATOM 688 O LYS A 45 114.391 15.208 6.724 1.00 0.00 O ATOM 689 CB LYS A 45 111.832 16.636 7.042 1.00 0.00 C ATOM 690 CG LYS A 45 111.522 16.441 8.527 1.00 0.00 C ATOM 691 CD LYS A 45 110.283 15.557 8.680 1.00 0.00 C ATOM 692 CE LYS A 45 109.036 16.352 8.287 1.00 0.00 C ATOM 693 NZ LYS A 45 107.897 15.602 8.888 1.00 0.00 N ATOM 0 H LYS A 45 113.692 16.927 4.836 1.00 0.00 H new ATOM 0 HA LYS A 45 113.326 18.152 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.069 17.262 6.580 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.812 15.676 6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.373 15.982 9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.353 17.407 9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 45 110.375 14.671 8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.196 15.210 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.082 17.372 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 45 108.936 16.420 7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 107.005 16.086 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.875 14.637 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.016 15.559 9.920 1.00 0.00 H new ATOM 707 N SER A 46 115.174 16.674 8.179 1.00 0.00 N ATOM 708 CA SER A 46 116.272 15.757 8.613 1.00 0.00 C ATOM 709 C SER A 46 115.862 15.002 9.881 1.00 0.00 C ATOM 710 O SER A 46 115.521 15.601 10.884 1.00 0.00 O ATOM 711 CB SER A 46 117.463 16.671 8.895 1.00 0.00 C ATOM 712 OG SER A 46 117.176 17.481 10.028 1.00 0.00 O ATOM 0 H SER A 46 115.160 17.580 8.647 1.00 0.00 H new ATOM 0 HA SER A 46 116.505 15.006 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.358 16.076 9.076 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.668 17.298 8.028 1.00 0.00 H new ATOM 0 HG SER A 46 116.334 17.188 10.434 1.00 0.00 H new ATOM 718 N ILE A 47 115.896 13.692 9.839 1.00 0.00 N ATOM 719 CA ILE A 47 115.527 12.883 11.043 1.00 0.00 C ATOM 720 C ILE A 47 116.629 11.853 11.319 1.00 0.00 C ATOM 721 O ILE A 47 117.120 11.209 10.411 1.00 0.00 O ATOM 722 CB ILE A 47 114.201 12.189 10.686 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.130 13.243 10.369 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.726 11.336 11.870 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.909 12.563 9.745 1.00 0.00 C ATOM 0 H ILE A 47 116.164 13.147 9.020 1.00 0.00 H new ATOM 0 HA ILE A 47 115.419 13.493 11.940 1.00 0.00 H new ATOM 0 HB ILE A 47 114.360 11.553 9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.841 13.768 11.280 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.532 13.990 9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.787 10.847 11.612 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.478 10.581 12.099 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.576 11.974 12.741 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.150 13.313 9.521 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.204 12.059 8.825 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.502 11.833 10.444 1.00 0.00 H new ATOM 737 N VAL A 48 117.017 11.697 12.561 1.00 0.00 N ATOM 738 CA VAL A 48 118.079 10.696 12.894 1.00 0.00 C ATOM 739 C VAL A 48 117.445 9.299 12.997 1.00 0.00 C ATOM 740 O VAL A 48 116.483 9.099 13.708 1.00 0.00 O ATOM 741 CB VAL A 48 118.660 11.154 14.247 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.769 10.191 14.697 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.228 12.580 14.120 1.00 0.00 C ATOM 0 H VAL A 48 116.646 12.217 13.356 1.00 0.00 H new ATOM 0 HA VAL A 48 118.861 10.636 12.137 1.00 0.00 H new ATOM 0 HB VAL A 48 117.863 11.152 14.991 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.173 10.523 15.653 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.358 9.187 14.805 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.564 10.178 13.952 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.636 12.896 15.080 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.017 12.592 13.368 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.433 13.263 13.822 1.00 0.00 H new ATOM 753 N THR A 49 117.989 8.338 12.287 1.00 0.00 N ATOM 754 CA THR A 49 117.310 7.004 12.143 1.00 0.00 C ATOM 755 C THR A 49 117.084 6.324 13.497 1.00 0.00 C ATOM 756 O THR A 49 116.199 5.504 13.642 1.00 0.00 O ATOM 757 CB THR A 49 118.261 6.163 11.287 1.00 0.00 C ATOM 758 OG1 THR A 49 119.556 6.174 11.871 1.00 0.00 O ATOM 759 CG2 THR A 49 118.328 6.744 9.874 1.00 0.00 C ATOM 0 H THR A 49 118.880 8.419 11.797 1.00 0.00 H new ATOM 0 HA THR A 49 116.323 7.117 11.694 1.00 0.00 H new ATOM 0 HB THR A 49 117.895 5.137 11.236 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.067 6.933 11.520 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.005 6.144 9.266 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.333 6.732 9.428 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.693 7.770 9.919 1.00 0.00 H new ATOM 767 N LYS A 50 117.878 6.654 14.484 1.00 0.00 N ATOM 768 CA LYS A 50 117.757 5.973 15.819 1.00 0.00 C ATOM 769 C LYS A 50 116.335 6.112 16.380 1.00 0.00 C ATOM 770 O LYS A 50 115.905 5.308 17.187 1.00 0.00 O ATOM 771 CB LYS A 50 118.770 6.678 16.730 1.00 0.00 C ATOM 772 CG LYS A 50 118.867 5.946 18.074 1.00 0.00 C ATOM 773 CD LYS A 50 119.579 6.840 19.092 1.00 0.00 C ATOM 774 CE LYS A 50 119.790 6.064 20.393 1.00 0.00 C ATOM 775 NZ LYS A 50 120.022 7.108 21.429 1.00 0.00 N ATOM 0 H LYS A 50 118.607 7.365 14.428 1.00 0.00 H new ATOM 0 HA LYS A 50 117.955 4.904 15.743 1.00 0.00 H new ATOM 0 HB2 LYS A 50 119.748 6.703 16.249 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.468 7.713 16.891 1.00 0.00 H new ATOM 0 HG2 LYS A 50 117.870 5.690 18.433 1.00 0.00 H new ATOM 0 HG3 LYS A 50 119.412 5.010 17.952 1.00 0.00 H new ATOM 0 HD2 LYS A 50 120.538 7.170 18.694 1.00 0.00 H new ATOM 0 HD3 LYS A 50 118.987 7.735 19.282 1.00 0.00 H new ATOM 0 HE2 LYS A 50 118.920 5.454 20.635 1.00 0.00 H new ATOM 0 HE3 LYS A 50 120.641 5.388 20.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 120.175 6.653 22.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 120.861 7.668 21.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 119.192 7.733 21.484 1.00 0.00 H new ATOM 789 N ASP A 51 115.607 7.119 15.963 1.00 0.00 N ATOM 790 CA ASP A 51 114.187 7.254 16.423 1.00 0.00 C ATOM 791 C ASP A 51 113.236 6.400 15.561 1.00 0.00 C ATOM 792 O ASP A 51 112.035 6.425 15.761 1.00 0.00 O ATOM 793 CB ASP A 51 113.846 8.752 16.313 1.00 0.00 C ATOM 794 CG ASP A 51 113.977 9.260 14.866 1.00 0.00 C ATOM 795 OD1 ASP A 51 114.041 8.445 13.957 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.011 10.466 14.691 1.00 0.00 O ATOM 0 H ASP A 51 115.930 7.849 15.328 1.00 0.00 H new ATOM 0 HA ASP A 51 114.068 6.896 17.445 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.829 8.921 16.667 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.509 9.325 16.961 1.00 0.00 H new ATOM 801 N ILE A 52 113.754 5.651 14.608 1.00 0.00 N ATOM 802 CA ILE A 52 112.863 4.772 13.779 1.00 0.00 C ATOM 803 C ILE A 52 112.441 3.541 14.589 1.00 0.00 C ATOM 804 O ILE A 52 113.267 2.832 15.135 1.00 0.00 O ATOM 805 CB ILE A 52 113.699 4.359 12.554 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.062 5.605 11.736 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.891 3.398 11.670 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.061 5.227 10.636 1.00 0.00 C ATOM 0 H ILE A 52 114.745 5.612 14.372 1.00 0.00 H new ATOM 0 HA ILE A 52 111.951 5.287 13.477 1.00 0.00 H new ATOM 0 HB ILE A 52 114.607 3.863 12.896 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.164 6.036 11.293 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.493 6.366 12.386 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.489 3.110 10.805 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.630 2.509 12.243 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.980 3.893 11.333 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.317 6.114 10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.963 4.817 11.089 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.614 4.481 9.979 1.00 0.00 H new ATOM 820 N LYS A 53 111.158 3.290 14.662 1.00 0.00 N ATOM 821 CA LYS A 53 110.669 2.005 15.246 1.00 0.00 C ATOM 822 C LYS A 53 110.487 0.968 14.131 1.00 0.00 C ATOM 823 O LYS A 53 110.631 -0.219 14.356 1.00 0.00 O ATOM 824 CB LYS A 53 109.325 2.341 15.895 1.00 0.00 C ATOM 825 CG LYS A 53 108.826 1.136 16.696 1.00 0.00 C ATOM 826 CD LYS A 53 107.450 1.448 17.287 1.00 0.00 C ATOM 827 CE LYS A 53 107.021 0.308 18.213 1.00 0.00 C ATOM 828 NZ LYS A 53 106.440 -0.723 17.309 1.00 0.00 N ATOM 0 H LYS A 53 110.426 3.923 14.341 1.00 0.00 H new ATOM 0 HA LYS A 53 111.367 1.584 15.969 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.432 3.206 16.549 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.597 2.608 15.129 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.766 0.258 16.053 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.530 0.899 17.493 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.485 2.387 17.840 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.720 1.576 16.488 1.00 0.00 H new ATOM 0 HE2 LYS A 53 107.870 -0.089 18.770 1.00 0.00 H new ATOM 0 HE3 LYS A 53 106.289 0.648 18.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 106.076 -1.516 17.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.663 -0.304 16.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 107.175 -1.070 16.660 1.00 0.00 H new ATOM 842 N ASP A 54 110.176 1.414 12.932 1.00 0.00 N ATOM 843 CA ASP A 54 109.940 0.463 11.797 1.00 0.00 C ATOM 844 C ASP A 54 109.993 1.215 10.461 1.00 0.00 C ATOM 845 O ASP A 54 109.784 2.413 10.405 1.00 0.00 O ATOM 846 CB ASP A 54 108.539 -0.117 12.026 1.00 0.00 C ATOM 847 CG ASP A 54 108.626 -1.387 12.877 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.545 -2.162 12.662 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.771 -1.563 13.730 1.00 0.00 O ATOM 0 H ASP A 54 110.076 2.400 12.692 1.00 0.00 H new ATOM 0 HA ASP A 54 110.697 -0.320 11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.909 0.620 12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.070 -0.343 11.068 1.00 0.00 H new ATOM 854 N LEU A 55 110.271 0.512 9.386 1.00 0.00 N ATOM 855 CA LEU A 55 110.356 1.170 8.045 1.00 0.00 C ATOM 856 C LEU A 55 109.571 0.368 7.003 1.00 0.00 C ATOM 857 O LEU A 55 109.470 -0.842 7.087 1.00 0.00 O ATOM 858 CB LEU A 55 111.846 1.171 7.696 1.00 0.00 C ATOM 859 CG LEU A 55 112.598 2.112 8.638 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.103 1.880 8.493 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.272 3.563 8.275 1.00 0.00 C ATOM 0 H LEU A 55 110.443 -0.493 9.382 1.00 0.00 H new ATOM 0 HA LEU A 55 109.934 2.175 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.249 0.161 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.987 1.487 6.662 1.00 0.00 H new ATOM 0 HG LEU A 55 112.295 1.916 9.667 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.641 2.550 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.338 0.846 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.404 2.078 7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.807 4.235 8.946 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.577 3.758 7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.199 3.731 8.374 1.00 0.00 H new ATOM 873 N ARG A 56 109.015 1.039 6.023 1.00 0.00 N ATOM 874 CA ARG A 56 108.307 0.324 4.917 1.00 0.00 C ATOM 875 C ARG A 56 108.367 1.156 3.630 1.00 0.00 C ATOM 876 O ARG A 56 108.291 2.368 3.671 1.00 0.00 O ATOM 877 CB ARG A 56 106.857 0.167 5.408 1.00 0.00 C ATOM 878 CG ARG A 56 106.154 1.537 5.458 1.00 0.00 C ATOM 879 CD ARG A 56 105.178 1.591 6.639 1.00 0.00 C ATOM 880 NE ARG A 56 104.171 0.509 6.383 1.00 0.00 N ATOM 881 CZ ARG A 56 103.396 0.048 7.346 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.464 0.519 8.571 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.537 -0.896 7.075 1.00 0.00 N ATOM 0 H ARG A 56 109.022 2.056 5.942 1.00 0.00 H new ATOM 0 HA ARG A 56 108.758 -0.641 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.312 -0.504 4.744 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.849 -0.289 6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.895 2.330 5.553 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.617 1.712 4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.697 1.427 7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.696 2.567 6.705 1.00 0.00 H new ATOM 0 HE ARG A 56 104.084 0.121 5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 56 104.128 1.260 8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.853 0.144 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.471 -1.269 6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.932 -1.261 7.810 1.00 0.00 H new ATOM 897 N ILE A 57 108.506 0.519 2.496 1.00 0.00 N ATOM 898 CA ILE A 57 108.418 1.266 1.203 1.00 0.00 C ATOM 899 C ILE A 57 106.950 1.387 0.774 1.00 0.00 C ATOM 900 O ILE A 57 106.211 0.420 0.801 1.00 0.00 O ATOM 901 CB ILE A 57 109.213 0.442 0.178 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.652 0.230 0.672 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.250 1.204 -1.151 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.350 -0.807 -0.212 1.00 0.00 C ATOM 0 H ILE A 57 108.676 -0.483 2.408 1.00 0.00 H new ATOM 0 HA ILE A 57 108.820 2.276 1.290 1.00 0.00 H new ATOM 0 HB ILE A 57 108.733 -0.528 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.199 1.172 0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.646 -0.106 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.812 0.627 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.233 1.357 -1.511 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.732 2.171 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.371 -0.957 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.807 -1.751 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.369 -0.453 -1.243 1.00 0.00 H new ATOM 916 N LEU A 58 106.527 2.564 0.379 1.00 0.00 N ATOM 917 CA LEU A 58 105.099 2.750 -0.031 1.00 0.00 C ATOM 918 C LEU A 58 104.911 2.336 -1.501 1.00 0.00 C ATOM 919 O LEU A 58 105.813 2.509 -2.299 1.00 0.00 O ATOM 920 CB LEU A 58 104.815 4.244 0.142 1.00 0.00 C ATOM 921 CG LEU A 58 104.669 4.570 1.629 1.00 0.00 C ATOM 922 CD1 LEU A 58 104.687 6.088 1.821 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.343 4.007 2.148 1.00 0.00 C ATOM 0 H LEU A 58 107.107 3.401 0.323 1.00 0.00 H new ATOM 0 HA LEU A 58 104.422 2.139 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.625 4.831 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.904 4.515 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 58 105.495 4.122 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.583 6.322 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.630 6.490 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.861 6.535 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.239 4.239 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.517 4.454 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.328 2.926 2.010 1.00 0.00 H new ATOM 1736 N SER B 257 111.612 -4.519 2.961 1.00 0.00 N ATOM 1737 CA SER B 257 111.416 -3.412 3.960 1.00 0.00 C ATOM 1738 C SER B 257 112.049 -3.788 5.304 1.00 0.00 C ATOM 1739 O SER B 257 112.591 -2.951 6.003 1.00 0.00 O ATOM 1740 CB SER B 257 109.900 -3.277 4.115 1.00 0.00 C ATOM 1741 OG SER B 257 109.318 -3.024 2.844 1.00 0.00 O ATOM 0 HA SER B 257 111.882 -2.482 3.633 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.484 -4.189 4.543 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.664 -2.466 4.804 1.00 0.00 H new ATOM 0 HG SER B 257 109.813 -3.514 2.154 1.00 0.00 H new ATOM 1747 N SER B 258 111.977 -5.047 5.659 1.00 0.00 N ATOM 1748 CA SER B 258 112.572 -5.505 6.956 1.00 0.00 C ATOM 1749 C SER B 258 114.100 -5.434 6.893 1.00 0.00 C ATOM 1750 O SER B 258 114.756 -5.166 7.883 1.00 0.00 O ATOM 1751 CB SER B 258 112.111 -6.953 7.128 1.00 0.00 C ATOM 1752 OG SER B 258 110.692 -7.006 7.058 1.00 0.00 O ATOM 0 H SER B 258 111.531 -5.780 5.107 1.00 0.00 H new ATOM 0 HA SER B 258 112.257 -4.879 7.791 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.549 -7.581 6.352 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.454 -7.345 8.086 1.00 0.00 H new ATOM 0 HG SER B 258 110.394 -7.933 7.166 1.00 0.00 H new ATOM 1758 N GLN B 259 114.669 -5.671 5.733 1.00 0.00 N ATOM 1759 CA GLN B 259 116.163 -5.632 5.597 1.00 0.00 C ATOM 1760 C GLN B 259 116.689 -4.221 5.879 1.00 0.00 C ATOM 1761 O GLN B 259 117.743 -4.051 6.465 1.00 0.00 O ATOM 1762 CB GLN B 259 116.454 -6.030 4.146 1.00 0.00 C ATOM 1763 CG GLN B 259 116.034 -7.484 3.917 1.00 0.00 C ATOM 1764 CD GLN B 259 116.380 -7.898 2.485 1.00 0.00 C ATOM 1765 OE1 GLN B 259 117.407 -7.517 1.961 1.00 0.00 O ATOM 1766 NE2 GLN B 259 115.557 -8.668 1.825 1.00 0.00 N ATOM 0 H GLN B 259 114.164 -5.890 4.874 1.00 0.00 H new ATOM 0 HA GLN B 259 116.650 -6.302 6.306 1.00 0.00 H new ATOM 0 HB2 GLN B 259 115.915 -5.373 3.463 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.516 -5.910 3.932 1.00 0.00 H new ATOM 0 HG2 GLN B 259 116.542 -8.136 4.628 1.00 0.00 H new ATOM 0 HG3 GLN B 259 114.964 -7.596 4.090 1.00 0.00 H new ATOM 0 HE21 GLN B 259 114.694 -8.988 2.265 1.00 0.00 H new ATOM 0 HE22 GLN B 259 115.777 -8.949 0.870 1.00 0.00 H new ATOM 1775 N LEU B 260 115.961 -3.211 5.465 1.00 0.00 N ATOM 1776 CA LEU B 260 116.409 -1.801 5.715 1.00 0.00 C ATOM 1777 C LEU B 260 116.385 -1.496 7.215 1.00 0.00 C ATOM 1778 O LEU B 260 117.292 -0.879 7.743 1.00 0.00 O ATOM 1779 CB LEU B 260 115.406 -0.912 4.971 1.00 0.00 C ATOM 1780 CG LEU B 260 115.529 -1.146 3.463 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.351 -0.485 2.746 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.839 -0.533 2.956 1.00 0.00 C ATOM 0 H LEU B 260 115.076 -3.301 4.965 1.00 0.00 H new ATOM 0 HA LEU B 260 117.429 -1.632 5.370 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.392 -1.136 5.302 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.593 0.137 5.203 1.00 0.00 H new ATOM 0 HG LEU B 260 115.525 -2.217 3.261 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.439 -0.652 1.672 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.417 -0.918 3.105 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.356 0.586 2.949 1.00 0.00 H new ATOM 0 HD21 LEU B 260 116.927 -0.699 1.882 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.842 0.538 3.159 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.681 -1.001 3.466 1.00 0.00 H new ATOM 1794 N LEU B 261 115.351 -1.923 7.900 1.00 0.00 N ATOM 1795 CA LEU B 261 115.298 -1.729 9.384 1.00 0.00 C ATOM 1796 C LEU B 261 116.323 -2.642 10.062 1.00 0.00 C ATOM 1797 O LEU B 261 116.951 -2.268 11.034 1.00 0.00 O ATOM 1798 CB LEU B 261 113.873 -2.110 9.797 1.00 0.00 C ATOM 1799 CG LEU B 261 113.631 -1.704 11.254 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.554 -0.179 11.356 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.312 -2.311 11.738 1.00 0.00 C ATOM 0 H LEU B 261 114.543 -2.397 7.496 1.00 0.00 H new ATOM 0 HA LEU B 261 115.535 -0.706 9.676 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.151 -1.615 9.147 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.725 -3.183 9.679 1.00 0.00 H new ATOM 0 HG LEU B 261 114.451 -2.068 11.872 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.382 0.108 12.393 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.491 0.257 11.010 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.734 0.186 10.738 1.00 0.00 H new ATOM 0 HD21 LEU B 261 112.138 -2.023 12.775 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.494 -1.945 11.118 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.364 -3.397 11.667 1.00 0.00 H new ATOM 1813 N SER B 262 116.492 -3.839 9.548 1.00 0.00 N ATOM 1814 CA SER B 262 117.525 -4.772 10.107 1.00 0.00 C ATOM 1815 C SER B 262 118.929 -4.177 9.943 1.00 0.00 C ATOM 1816 O SER B 262 119.779 -4.330 10.801 1.00 0.00 O ATOM 1817 CB SER B 262 117.397 -6.057 9.287 1.00 0.00 C ATOM 1818 OG SER B 262 118.235 -7.058 9.850 1.00 0.00 O ATOM 0 H SER B 262 115.957 -4.211 8.763 1.00 0.00 H new ATOM 0 HA SER B 262 117.375 -4.950 11.172 1.00 0.00 H new ATOM 0 HB2 SER B 262 116.361 -6.396 9.279 1.00 0.00 H new ATOM 0 HB3 SER B 262 117.679 -5.871 8.251 1.00 0.00 H new ATOM 0 HG SER B 262 118.155 -7.884 9.328 1.00 0.00 H new ATOM 1824 N LEU B 263 119.172 -3.499 8.844 1.00 0.00 N ATOM 1825 CA LEU B 263 120.520 -2.881 8.615 1.00 0.00 C ATOM 1826 C LEU B 263 120.790 -1.793 9.660 1.00 0.00 C ATOM 1827 O LEU B 263 121.890 -1.671 10.168 1.00 0.00 O ATOM 1828 CB LEU B 263 120.457 -2.268 7.213 1.00 0.00 C ATOM 1829 CG LEU B 263 120.580 -3.375 6.164 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.014 -2.882 4.831 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.055 -3.743 5.983 1.00 0.00 C ATOM 0 H LEU B 263 118.495 -3.347 8.096 1.00 0.00 H new ATOM 0 HA LEU B 263 121.322 -3.615 8.700 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.518 -1.731 7.082 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.260 -1.542 7.086 1.00 0.00 H new ATOM 0 HG LEU B 263 120.022 -4.251 6.495 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.102 -3.671 4.084 1.00 0.00 H new ATOM 0 HD12 LEU B 263 118.964 -2.617 4.957 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.572 -2.006 4.501 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.144 -4.532 5.236 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.611 -2.866 5.653 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.461 -4.094 6.931 1.00 0.00 H new