USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 SER OG : rot 117:sc= -0.273 USER MOD Set 1.2: A 49 THR OG1 : rot -92:sc= 1.33 USER MOD Set 2.1: A 41 ASN : amide:sc= -1.64 K(o=-1.3,f=-11!) USER MOD Set 2.2: A 43 SER OG : rot 67:sc= 0.347 USER MOD Set 3.1: A 17 ASN : amide:sc= -1.19 K(o=-0.02,f=-12!) USER MOD Set 3.2: A 19 SER OG : rot 93:sc= 1.17 USER MOD Single : A 2 SER OG : rot 39:sc= 0.138 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 9 SER OG : rot -101:sc= -0.832! USER MOD Single : A 10 ASN : amide:sc= -6.81! C(o=-6.8!,f=-10!) USER MOD Single : A 16 ASN : amide:sc= -1.92 K(o=-1.9,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= -2.42 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00319 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0868) USER MOD Single : A 46 SER OG : rot 12:sc= 0.894 USER MOD Single : A 50 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.107) USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0765) USER MOD Single : B 257 SER OG : rot -170:sc= -0.778 USER MOD Single : B 258 SER OG : rot 180:sc=-0.00654 USER MOD Single : B 259 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 262 SER OG : rot 103:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.701 -1.468 -0.912 1.00 0.00 N ATOM 45 CA SER A 2 123.765 -0.469 0.198 1.00 0.00 C ATOM 46 C SER A 2 122.571 0.487 0.118 1.00 0.00 C ATOM 47 O SER A 2 121.814 0.467 -0.834 1.00 0.00 O ATOM 48 CB SER A 2 125.074 0.287 -0.025 1.00 0.00 C ATOM 49 OG SER A 2 126.165 -0.614 0.109 1.00 0.00 O ATOM 0 HA SER A 2 123.729 -0.940 1.181 1.00 0.00 H new ATOM 0 HB2 SER A 2 125.081 0.740 -1.016 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.166 1.098 0.697 1.00 0.00 H new ATOM 0 HG SER A 2 125.926 -1.478 -0.287 1.00 0.00 H new ATOM 55 N VAL A 3 122.403 1.325 1.114 1.00 0.00 N ATOM 56 CA VAL A 3 121.248 2.282 1.118 1.00 0.00 C ATOM 57 C VAL A 3 121.403 3.309 -0.018 1.00 0.00 C ATOM 58 O VAL A 3 120.425 3.832 -0.518 1.00 0.00 O ATOM 59 CB VAL A 3 121.290 2.974 2.490 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.150 3.995 2.602 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.132 1.927 3.599 1.00 0.00 C ATOM 0 H VAL A 3 123.017 1.388 1.926 1.00 0.00 H new ATOM 0 HA VAL A 3 120.297 1.774 0.957 1.00 0.00 H new ATOM 0 HB VAL A 3 122.246 3.486 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.190 4.479 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.256 4.746 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.193 3.486 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.162 2.419 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.178 1.414 3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.944 1.203 3.534 1.00 0.00 H new ATOM 71 N ALA A 4 122.621 3.602 -0.421 1.00 0.00 N ATOM 72 CA ALA A 4 122.843 4.616 -1.510 1.00 0.00 C ATOM 73 C ALA A 4 122.049 4.235 -2.766 1.00 0.00 C ATOM 74 O ALA A 4 121.614 5.088 -3.519 1.00 0.00 O ATOM 75 CB ALA A 4 124.346 4.575 -1.801 1.00 0.00 C ATOM 0 H ALA A 4 123.471 3.183 -0.043 1.00 0.00 H new ATOM 0 HA ALA A 4 122.512 5.611 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.584 5.291 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.899 4.832 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.627 3.573 -2.125 1.00 0.00 H new ATOM 81 N ASP A 5 121.865 2.957 -2.988 1.00 0.00 N ATOM 82 CA ASP A 5 121.002 2.500 -4.125 1.00 0.00 C ATOM 83 C ASP A 5 119.534 2.853 -3.849 1.00 0.00 C ATOM 84 O ASP A 5 118.769 3.110 -4.761 1.00 0.00 O ATOM 85 CB ASP A 5 121.183 0.980 -4.194 1.00 0.00 C ATOM 86 CG ASP A 5 122.626 0.649 -4.585 1.00 0.00 C ATOM 87 OD1 ASP A 5 123.151 1.314 -5.463 1.00 0.00 O ATOM 88 OD2 ASP A 5 123.181 -0.266 -4.000 1.00 0.00 O ATOM 0 H ASP A 5 122.275 2.208 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 5 121.278 2.980 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.946 0.532 -3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.492 0.555 -4.922 1.00 0.00 H new ATOM 93 N PHE A 6 119.141 2.864 -2.597 1.00 0.00 N ATOM 94 CA PHE A 6 117.723 3.189 -2.245 1.00 0.00 C ATOM 95 C PHE A 6 117.561 4.676 -1.883 1.00 0.00 C ATOM 96 O PHE A 6 116.521 5.082 -1.395 1.00 0.00 O ATOM 97 CB PHE A 6 117.406 2.309 -1.035 1.00 0.00 C ATOM 98 CG PHE A 6 117.395 0.831 -1.347 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.609 0.103 -1.371 1.00 0.00 C ATOM 100 CD2 PHE A 6 116.169 0.173 -1.615 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.599 -1.283 -1.662 1.00 0.00 C ATOM 102 CE2 PHE A 6 116.158 -1.213 -1.907 1.00 0.00 C ATOM 103 CZ PHE A 6 117.373 -1.941 -1.930 1.00 0.00 C ATOM 0 H PHE A 6 119.745 2.661 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 6 117.051 3.005 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.142 2.501 -0.254 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.433 2.594 -0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.543 0.605 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.243 0.728 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.525 -1.838 -1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 6 115.224 -1.715 -2.112 1.00 0.00 H new ATOM 0 HZ PHE A 6 117.365 -2.998 -2.152 1.00 0.00 H new ATOM 113 N TYR A 7 118.570 5.491 -2.112 1.00 0.00 N ATOM 114 CA TYR A 7 118.420 6.965 -1.868 1.00 0.00 C ATOM 115 C TYR A 7 117.424 7.565 -2.869 1.00 0.00 C ATOM 116 O TYR A 7 117.367 7.160 -4.016 1.00 0.00 O ATOM 117 CB TYR A 7 119.821 7.557 -2.101 1.00 0.00 C ATOM 118 CG TYR A 7 120.709 7.623 -0.864 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.395 6.881 0.307 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.872 8.433 -0.888 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.242 6.953 1.440 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.716 8.503 0.245 1.00 0.00 C ATOM 123 CZ TYR A 7 122.402 7.763 1.407 1.00 0.00 C ATOM 124 OH TYR A 7 123.232 7.831 2.508 1.00 0.00 O ATOM 0 H TYR A 7 119.485 5.200 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 7 118.046 7.178 -0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.328 6.963 -2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.711 8.564 -2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.510 6.262 0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.115 8.999 -1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.002 6.389 2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.601 9.122 0.222 1.00 0.00 H new ATOM 0 HH TYR A 7 123.982 8.432 2.316 1.00 0.00 H new ATOM 134 N GLY A 8 116.645 8.526 -2.438 1.00 0.00 N ATOM 135 CA GLY A 8 115.582 9.101 -3.321 1.00 0.00 C ATOM 136 C GLY A 8 114.325 8.213 -3.299 1.00 0.00 C ATOM 137 O GLY A 8 113.350 8.508 -3.966 1.00 0.00 O ATOM 0 H GLY A 8 116.700 8.940 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.329 10.108 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 8 115.956 9.187 -4.341 1.00 0.00 H new ATOM 141 N SER A 9 114.331 7.134 -2.544 1.00 0.00 N ATOM 142 CA SER A 9 113.140 6.228 -2.512 1.00 0.00 C ATOM 143 C SER A 9 112.035 6.825 -1.636 1.00 0.00 C ATOM 144 O SER A 9 112.301 7.404 -0.598 1.00 0.00 O ATOM 145 CB SER A 9 113.647 4.918 -1.906 1.00 0.00 C ATOM 146 OG SER A 9 113.992 5.132 -0.543 1.00 0.00 O ATOM 0 H SER A 9 115.109 6.845 -1.951 1.00 0.00 H new ATOM 0 HA SER A 9 112.715 6.082 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 9 112.879 4.148 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.514 4.559 -2.460 1.00 0.00 H new ATOM 0 HG SER A 9 114.965 5.221 -0.462 1.00 0.00 H new ATOM 152 N ASN A 10 110.799 6.686 -2.049 1.00 0.00 N ATOM 153 CA ASN A 10 109.656 7.113 -1.181 1.00 0.00 C ATOM 154 C ASN A 10 109.299 5.983 -0.215 1.00 0.00 C ATOM 155 O ASN A 10 108.948 4.892 -0.626 1.00 0.00 O ATOM 156 CB ASN A 10 108.491 7.377 -2.141 1.00 0.00 C ATOM 157 CG ASN A 10 108.824 8.560 -3.053 1.00 0.00 C ATOM 158 OD1 ASN A 10 109.906 8.636 -3.599 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.930 9.492 -3.243 1.00 0.00 N ATOM 0 H ASN A 10 110.531 6.294 -2.952 1.00 0.00 H new ATOM 0 HA ASN A 10 109.894 7.995 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.294 6.488 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.583 7.587 -1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 10 108.140 10.284 -3.850 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.021 9.428 -2.784 1.00 0.00 H new ATOM 166 N VAL A 11 109.383 6.241 1.063 1.00 0.00 N ATOM 167 CA VAL A 11 109.076 5.182 2.072 1.00 0.00 C ATOM 168 C VAL A 11 108.376 5.810 3.276 1.00 0.00 C ATOM 169 O VAL A 11 108.417 7.012 3.465 1.00 0.00 O ATOM 170 CB VAL A 11 110.434 4.576 2.473 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.097 3.935 1.250 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.360 5.666 3.035 1.00 0.00 C ATOM 0 H VAL A 11 109.652 7.144 1.454 1.00 0.00 H new ATOM 0 HA VAL A 11 108.411 4.414 1.677 1.00 0.00 H new ATOM 0 HB VAL A 11 110.264 3.820 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.057 3.508 1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.453 3.148 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.253 4.693 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.316 5.223 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.523 6.432 2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.899 6.118 3.914 1.00 0.00 H new ATOM 182 N GLU A 12 107.734 5.009 4.091 1.00 0.00 N ATOM 183 CA GLU A 12 107.078 5.561 5.314 1.00 0.00 C ATOM 184 C GLU A 12 107.843 5.115 6.564 1.00 0.00 C ATOM 185 O GLU A 12 108.100 3.943 6.757 1.00 0.00 O ATOM 186 CB GLU A 12 105.667 4.967 5.301 1.00 0.00 C ATOM 187 CG GLU A 12 104.847 5.544 6.459 1.00 0.00 C ATOM 188 CD GLU A 12 103.490 4.842 6.518 1.00 0.00 C ATOM 189 OE1 GLU A 12 102.618 5.215 5.751 1.00 0.00 O ATOM 190 OE2 GLU A 12 103.345 3.943 7.330 1.00 0.00 O ATOM 0 H GLU A 12 107.637 4.002 3.962 1.00 0.00 H new ATOM 0 HA GLU A 12 107.060 6.651 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.178 5.189 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.719 3.882 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.380 5.409 7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 12 104.709 6.617 6.322 1.00 0.00 H new ATOM 197 N VAL A 13 108.207 6.047 7.409 1.00 0.00 N ATOM 198 CA VAL A 13 108.964 5.689 8.649 1.00 0.00 C ATOM 199 C VAL A 13 108.047 5.816 9.873 1.00 0.00 C ATOM 200 O VAL A 13 107.471 6.860 10.117 1.00 0.00 O ATOM 201 CB VAL A 13 110.114 6.708 8.725 1.00 0.00 C ATOM 202 CG1 VAL A 13 110.985 6.419 9.954 1.00 0.00 C ATOM 203 CG2 VAL A 13 110.979 6.611 7.461 1.00 0.00 C ATOM 0 H VAL A 13 108.013 7.042 7.294 1.00 0.00 H new ATOM 0 HA VAL A 13 109.335 4.664 8.630 1.00 0.00 H new ATOM 0 HB VAL A 13 109.693 7.710 8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.798 7.144 10.003 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.378 6.494 10.856 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.399 5.414 9.878 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.792 7.335 7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.393 5.606 7.380 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.367 6.823 6.584 1.00 0.00 H new ATOM 213 N LEU A 14 107.913 4.759 10.637 1.00 0.00 N ATOM 214 CA LEU A 14 107.124 4.841 11.903 1.00 0.00 C ATOM 215 C LEU A 14 108.071 5.090 13.079 1.00 0.00 C ATOM 216 O LEU A 14 109.021 4.357 13.283 1.00 0.00 O ATOM 217 CB LEU A 14 106.445 3.476 12.037 1.00 0.00 C ATOM 218 CG LEU A 14 105.448 3.509 13.197 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.174 4.232 12.756 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.103 2.078 13.613 1.00 0.00 C ATOM 0 H LEU A 14 108.316 3.844 10.437 1.00 0.00 H new ATOM 0 HA LEU A 14 106.396 5.652 11.894 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.931 3.222 11.110 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.193 2.702 12.209 1.00 0.00 H new ATOM 0 HG LEU A 14 105.891 4.037 14.041 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.464 4.255 13.583 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.419 5.252 12.459 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.730 3.705 11.911 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.393 2.101 14.439 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.660 1.550 12.768 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.010 1.562 13.928 1.00 0.00 H new ATOM 232 N LEU A 15 107.819 6.116 13.852 1.00 0.00 N ATOM 233 CA LEU A 15 108.794 6.514 14.917 1.00 0.00 C ATOM 234 C LEU A 15 108.384 5.944 16.280 1.00 0.00 C ATOM 235 O LEU A 15 107.258 5.530 16.480 1.00 0.00 O ATOM 236 CB LEU A 15 108.756 8.044 14.944 1.00 0.00 C ATOM 237 CG LEU A 15 109.290 8.599 13.620 1.00 0.00 C ATOM 238 CD1 LEU A 15 108.996 10.098 13.539 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.802 8.375 13.545 1.00 0.00 C ATOM 0 H LEU A 15 106.982 6.696 13.793 1.00 0.00 H new ATOM 0 HA LEU A 15 109.793 6.131 14.710 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.735 8.389 15.108 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.356 8.417 15.774 1.00 0.00 H new ATOM 0 HG LEU A 15 108.803 8.086 12.790 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.376 10.493 12.597 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.920 10.261 13.593 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.483 10.610 14.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.182 8.770 12.603 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.287 8.888 14.375 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.015 7.308 13.603 1.00 0.00 H new ATOM 251 N ASN A 16 109.306 5.923 17.219 1.00 0.00 N ATOM 252 CA ASN A 16 109.018 5.342 18.577 1.00 0.00 C ATOM 253 C ASN A 16 107.852 6.071 19.266 1.00 0.00 C ATOM 254 O ASN A 16 107.220 5.534 20.158 1.00 0.00 O ATOM 255 CB ASN A 16 110.315 5.522 19.388 1.00 0.00 C ATOM 256 CG ASN A 16 110.711 7.004 19.455 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.943 7.831 19.902 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.887 7.370 19.027 1.00 0.00 N ATOM 0 H ASN A 16 110.252 6.286 17.103 1.00 0.00 H new ATOM 0 HA ASN A 16 108.723 4.296 18.500 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.177 5.131 20.396 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.119 4.946 18.930 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.162 8.351 19.068 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.532 6.675 18.651 1.00 0.00 H new ATOM 265 N ASN A 17 107.567 7.285 18.858 1.00 0.00 N ATOM 266 CA ASN A 17 106.495 8.084 19.534 1.00 0.00 C ATOM 267 C ASN A 17 105.137 7.885 18.837 1.00 0.00 C ATOM 268 O ASN A 17 104.261 8.725 18.931 1.00 0.00 O ATOM 269 CB ASN A 17 106.954 9.552 19.445 1.00 0.00 C ATOM 270 CG ASN A 17 107.123 9.984 17.981 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.218 9.847 17.185 1.00 0.00 O ATOM 272 ND2 ASN A 17 108.256 10.505 17.596 1.00 0.00 N ATOM 0 H ASN A 17 108.032 7.758 18.083 1.00 0.00 H new ATOM 0 HA ASN A 17 106.354 7.772 20.569 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.225 10.196 19.937 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.898 9.675 19.976 1.00 0.00 H new ATOM 0 HD21 ASN A 17 108.380 10.797 16.626 1.00 0.00 H new ATOM 0 HD22 ASN A 17 109.018 10.621 18.265 1.00 0.00 H new ATOM 279 N ASP A 18 104.959 6.780 18.135 1.00 0.00 N ATOM 280 CA ASP A 18 103.619 6.428 17.549 1.00 0.00 C ATOM 281 C ASP A 18 103.150 7.512 16.569 1.00 0.00 C ATOM 282 O ASP A 18 101.963 7.717 16.390 1.00 0.00 O ATOM 283 CB ASP A 18 102.645 6.312 18.733 1.00 0.00 C ATOM 284 CG ASP A 18 103.083 5.170 19.654 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.470 4.132 19.139 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.025 5.352 20.859 1.00 0.00 O ATOM 0 H ASP A 18 105.696 6.101 17.943 1.00 0.00 H new ATOM 0 HA ASP A 18 103.671 5.495 16.987 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.619 7.250 19.288 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.634 6.130 18.368 1.00 0.00 H new ATOM 291 N SER A 19 104.070 8.207 15.937 1.00 0.00 N ATOM 292 CA SER A 19 103.686 9.122 14.819 1.00 0.00 C ATOM 293 C SER A 19 104.142 8.523 13.487 1.00 0.00 C ATOM 294 O SER A 19 105.256 8.046 13.363 1.00 0.00 O ATOM 295 CB SER A 19 104.421 10.432 15.098 1.00 0.00 C ATOM 296 OG SER A 19 104.053 10.911 16.385 1.00 0.00 O ATOM 0 H SER A 19 105.067 8.178 16.149 1.00 0.00 H new ATOM 0 HA SER A 19 102.608 9.274 14.757 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.499 10.275 15.050 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.172 11.172 14.337 1.00 0.00 H new ATOM 0 HG SER A 19 104.696 10.588 17.050 1.00 0.00 H new ATOM 302 N LYS A 20 103.288 8.546 12.495 1.00 0.00 N ATOM 303 CA LYS A 20 103.627 7.904 11.189 1.00 0.00 C ATOM 304 C LYS A 20 103.853 8.971 10.114 1.00 0.00 C ATOM 305 O LYS A 20 103.117 9.938 10.028 1.00 0.00 O ATOM 306 CB LYS A 20 102.398 7.059 10.852 1.00 0.00 C ATOM 307 CG LYS A 20 102.698 6.166 9.646 1.00 0.00 C ATOM 308 CD LYS A 20 101.393 5.550 9.136 1.00 0.00 C ATOM 309 CE LYS A 20 100.923 4.466 10.108 1.00 0.00 C ATOM 310 NZ LYS A 20 99.778 3.805 9.424 1.00 0.00 N ATOM 0 H LYS A 20 102.367 8.983 12.534 1.00 0.00 H new ATOM 0 HA LYS A 20 104.540 7.311 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.120 6.446 11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.549 7.707 10.634 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.172 6.749 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 20 103.399 5.380 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.629 6.321 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.544 5.123 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.720 3.754 10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.618 4.897 11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.401 3.048 10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.032 4.506 9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.100 3.398 8.523 1.00 0.00 H new ATOM 324 N ALA A 21 104.863 8.800 9.297 1.00 0.00 N ATOM 325 CA ALA A 21 105.146 9.805 8.226 1.00 0.00 C ATOM 326 C ALA A 21 105.862 9.143 7.045 1.00 0.00 C ATOM 327 O ALA A 21 106.462 8.093 7.185 1.00 0.00 O ATOM 328 CB ALA A 21 106.049 10.847 8.888 1.00 0.00 C ATOM 0 H ALA A 21 105.504 8.007 9.326 1.00 0.00 H new ATOM 0 HA ALA A 21 104.233 10.249 7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 21 106.302 11.622 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 21 105.527 11.296 9.733 1.00 0.00 H new ATOM 0 HB3 ALA A 21 106.962 10.367 9.239 1.00 0.00 H new ATOM 334 N ARG A 22 105.802 9.753 5.885 1.00 0.00 N ATOM 335 CA ARG A 22 106.497 9.184 4.689 1.00 0.00 C ATOM 336 C ARG A 22 107.059 10.306 3.811 1.00 0.00 C ATOM 337 O ARG A 22 106.526 11.398 3.776 1.00 0.00 O ATOM 338 CB ARG A 22 105.428 8.376 3.936 1.00 0.00 C ATOM 339 CG ARG A 22 104.265 9.286 3.515 1.00 0.00 C ATOM 340 CD ARG A 22 103.104 8.430 3.002 1.00 0.00 C ATOM 341 NE ARG A 22 102.075 9.410 2.531 1.00 0.00 N ATOM 342 CZ ARG A 22 102.208 10.057 1.388 1.00 0.00 C ATOM 343 NH1 ARG A 22 103.256 9.883 0.616 1.00 0.00 N ATOM 344 NH2 ARG A 22 101.276 10.893 1.018 1.00 0.00 N ATOM 0 H ARG A 22 105.299 10.624 5.716 1.00 0.00 H new ATOM 0 HA ARG A 22 107.343 8.557 4.970 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.869 7.909 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.057 7.572 4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 22 103.938 9.891 4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.593 9.976 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.425 7.775 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.707 7.790 3.790 1.00 0.00 H new ATOM 0 HE ARG A 22 101.251 9.582 3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 22 103.993 9.235 0.895 1.00 0.00 H new ATOM 0 HH12 ARG A 22 103.333 10.396 -0.262 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.458 11.039 1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 22 101.366 11.400 0.137 1.00 0.00 H new ATOM 358 N GLY A 23 108.132 10.035 3.107 1.00 0.00 N ATOM 359 CA GLY A 23 108.814 11.107 2.321 1.00 0.00 C ATOM 360 C GLY A 23 109.894 10.468 1.446 1.00 0.00 C ATOM 361 O GLY A 23 110.188 9.294 1.579 1.00 0.00 O ATOM 0 H GLY A 23 108.565 9.114 3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.091 11.638 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.258 11.842 2.992 1.00 0.00 H new ATOM 365 N VAL A 24 110.487 11.227 0.555 1.00 0.00 N ATOM 366 CA VAL A 24 111.496 10.638 -0.382 1.00 0.00 C ATOM 367 C VAL A 24 112.899 10.830 0.196 1.00 0.00 C ATOM 368 O VAL A 24 113.357 11.941 0.371 1.00 0.00 O ATOM 369 CB VAL A 24 111.348 11.426 -1.697 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.252 10.805 -2.770 1.00 0.00 C ATOM 371 CG2 VAL A 24 109.884 11.390 -2.179 1.00 0.00 C ATOM 0 H VAL A 24 110.317 12.226 0.436 1.00 0.00 H new ATOM 0 HA VAL A 24 111.343 9.570 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 24 111.639 12.462 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.148 11.362 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.290 10.844 -2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 24 111.962 9.767 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.793 11.951 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.582 10.356 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.240 11.837 -1.422 1.00 0.00 H new ATOM 381 N ILE A 25 113.582 9.751 0.489 1.00 0.00 N ATOM 382 CA ILE A 25 114.890 9.856 1.220 1.00 0.00 C ATOM 383 C ILE A 25 115.920 10.611 0.368 1.00 0.00 C ATOM 384 O ILE A 25 115.959 10.474 -0.838 1.00 0.00 O ATOM 385 CB ILE A 25 115.333 8.402 1.473 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.317 7.716 2.395 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.719 8.372 2.135 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.552 6.201 2.396 1.00 0.00 C ATOM 0 H ILE A 25 113.293 8.801 0.255 1.00 0.00 H new ATOM 0 HA ILE A 25 114.797 10.411 2.153 1.00 0.00 H new ATOM 0 HB ILE A 25 115.385 7.878 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.410 8.108 3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.303 7.935 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.018 7.338 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.445 8.855 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.679 8.901 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 25 113.827 5.721 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.436 5.814 1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.560 5.989 2.752 1.00 0.00 H new ATOM 400 N THR A 26 116.749 11.409 0.998 1.00 0.00 N ATOM 401 CA THR A 26 117.778 12.187 0.243 1.00 0.00 C ATOM 402 C THR A 26 119.193 11.849 0.724 1.00 0.00 C ATOM 403 O THR A 26 120.141 11.974 -0.032 1.00 0.00 O ATOM 404 CB THR A 26 117.458 13.660 0.509 1.00 0.00 C ATOM 405 OG1 THR A 26 117.157 13.845 1.884 1.00 0.00 O ATOM 406 CG2 THR A 26 116.260 14.081 -0.341 1.00 0.00 C ATOM 0 H THR A 26 116.756 11.554 2.008 1.00 0.00 H new ATOM 0 HA THR A 26 117.750 11.950 -0.821 1.00 0.00 H new ATOM 0 HB THR A 26 118.322 14.271 0.247 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.657 14.680 2.000 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.031 15.130 -0.153 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.497 13.945 -1.396 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.396 13.469 -0.081 1.00 0.00 H new ATOM 414 N ASN A 27 119.362 11.424 1.964 1.00 0.00 N ATOM 415 CA ASN A 27 120.752 11.133 2.447 1.00 0.00 C ATOM 416 C ASN A 27 120.744 10.253 3.702 1.00 0.00 C ATOM 417 O ASN A 27 119.776 10.202 4.432 1.00 0.00 O ATOM 418 CB ASN A 27 121.361 12.502 2.764 1.00 0.00 C ATOM 419 CG ASN A 27 122.874 12.458 2.540 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.332 12.203 1.444 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.676 12.697 3.542 1.00 0.00 N ATOM 0 H ASN A 27 118.616 11.271 2.643 1.00 0.00 H new ATOM 0 HA ASN A 27 121.322 10.585 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.912 13.266 2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.144 12.777 3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.686 12.670 3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.292 12.911 4.462 1.00 0.00 H new ATOM 428 N PHE A 28 121.834 9.561 3.939 1.00 0.00 N ATOM 429 CA PHE A 28 122.030 8.834 5.234 1.00 0.00 C ATOM 430 C PHE A 28 123.525 8.771 5.560 1.00 0.00 C ATOM 431 O PHE A 28 124.319 8.282 4.778 1.00 0.00 O ATOM 432 CB PHE A 28 121.454 7.430 5.016 1.00 0.00 C ATOM 433 CG PHE A 28 121.661 6.502 6.194 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.011 6.763 7.425 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.511 5.374 6.069 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.210 5.898 8.529 1.00 0.00 C ATOM 437 CE2 PHE A 28 122.708 4.510 7.173 1.00 0.00 C ATOM 438 CZ PHE A 28 122.059 4.771 8.402 1.00 0.00 C ATOM 0 H PHE A 28 122.607 9.468 3.280 1.00 0.00 H new ATOM 0 HA PHE A 28 121.536 9.330 6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.386 7.512 4.811 1.00 0.00 H new ATOM 0 HB3 PHE A 28 121.915 6.990 4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.363 7.622 7.522 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.008 5.174 5.131 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.714 6.098 9.468 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.355 3.650 7.076 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.211 4.111 9.244 1.00 0.00 H new ATOM 448 N ASP A 29 123.907 9.265 6.713 1.00 0.00 N ATOM 449 CA ASP A 29 125.349 9.273 7.095 1.00 0.00 C ATOM 450 C ASP A 29 125.627 8.097 8.024 1.00 0.00 C ATOM 451 O ASP A 29 124.957 7.930 9.019 1.00 0.00 O ATOM 452 CB ASP A 29 125.558 10.600 7.826 1.00 0.00 C ATOM 453 CG ASP A 29 127.052 10.812 8.087 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.515 10.384 9.131 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.704 11.397 7.240 1.00 0.00 O ATOM 0 H ASP A 29 123.276 9.665 7.408 1.00 0.00 H new ATOM 0 HA ASP A 29 126.016 9.179 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.162 11.422 7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 29 125.010 10.598 8.768 1.00 0.00 H new ATOM 460 N SER A 30 126.605 7.285 7.708 1.00 0.00 N ATOM 461 CA SER A 30 126.850 6.046 8.517 1.00 0.00 C ATOM 462 C SER A 30 127.268 6.401 9.948 1.00 0.00 C ATOM 463 O SER A 30 126.799 5.809 10.902 1.00 0.00 O ATOM 464 CB SER A 30 127.981 5.307 7.799 1.00 0.00 C ATOM 465 OG SER A 30 128.159 4.029 8.395 1.00 0.00 O ATOM 0 H SER A 30 127.245 7.424 6.926 1.00 0.00 H new ATOM 0 HA SER A 30 125.950 5.436 8.596 1.00 0.00 H new ATOM 0 HB2 SER A 30 127.745 5.198 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.905 5.882 7.862 1.00 0.00 H new ATOM 0 HG SER A 30 128.882 3.552 7.936 1.00 0.00 H new ATOM 471 N SER A 31 128.143 7.367 10.102 1.00 0.00 N ATOM 472 CA SER A 31 128.709 7.671 11.460 1.00 0.00 C ATOM 473 C SER A 31 127.597 8.052 12.446 1.00 0.00 C ATOM 474 O SER A 31 127.541 7.545 13.551 1.00 0.00 O ATOM 475 CB SER A 31 129.659 8.853 11.249 1.00 0.00 C ATOM 476 OG SER A 31 130.603 8.522 10.239 1.00 0.00 O ATOM 0 H SER A 31 128.491 7.959 9.348 1.00 0.00 H new ATOM 0 HA SER A 31 129.218 6.805 11.883 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.096 9.740 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.174 9.092 12.180 1.00 0.00 H new ATOM 0 HG SER A 31 131.212 9.277 10.100 1.00 0.00 H new ATOM 482 N ASN A 32 126.717 8.939 12.052 1.00 0.00 N ATOM 483 CA ASN A 32 125.612 9.369 12.968 1.00 0.00 C ATOM 484 C ASN A 32 124.255 8.787 12.534 1.00 0.00 C ATOM 485 O ASN A 32 123.251 9.034 13.175 1.00 0.00 O ATOM 486 CB ASN A 32 125.589 10.895 12.861 1.00 0.00 C ATOM 487 CG ASN A 32 126.878 11.475 13.451 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.393 10.971 14.429 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.423 12.521 12.893 1.00 0.00 N ATOM 0 H ASN A 32 126.715 9.385 11.135 1.00 0.00 H new ATOM 0 HA ASN A 32 125.780 9.018 13.986 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.489 11.194 11.818 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.724 11.293 13.391 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.281 12.915 13.278 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.991 12.944 12.072 1.00 0.00 H new ATOM 496 N SER A 33 124.216 8.020 11.457 1.00 0.00 N ATOM 497 CA SER A 33 122.914 7.503 10.902 1.00 0.00 C ATOM 498 C SER A 33 121.853 8.614 10.846 1.00 0.00 C ATOM 499 O SER A 33 120.859 8.582 11.551 1.00 0.00 O ATOM 500 CB SER A 33 122.494 6.363 11.840 1.00 0.00 C ATOM 501 OG SER A 33 121.976 6.898 13.051 1.00 0.00 O ATOM 0 H SER A 33 125.042 7.728 10.935 1.00 0.00 H new ATOM 0 HA SER A 33 123.023 7.151 9.876 1.00 0.00 H new ATOM 0 HB2 SER A 33 121.741 5.741 11.356 1.00 0.00 H new ATOM 0 HB3 SER A 33 123.349 5.721 12.052 1.00 0.00 H new ATOM 0 HG SER A 33 121.036 6.638 13.148 1.00 0.00 H new ATOM 507 N ILE A 34 122.067 9.595 10.004 1.00 0.00 N ATOM 508 CA ILE A 34 121.129 10.762 9.949 1.00 0.00 C ATOM 509 C ILE A 34 120.427 10.779 8.593 1.00 0.00 C ATOM 510 O ILE A 34 121.067 10.778 7.562 1.00 0.00 O ATOM 511 CB ILE A 34 122.010 12.013 10.119 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.848 11.916 11.415 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.130 13.270 10.164 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.947 11.890 12.662 1.00 0.00 C ATOM 0 H ILE A 34 122.850 9.639 9.352 1.00 0.00 H new ATOM 0 HA ILE A 34 120.360 10.715 10.720 1.00 0.00 H new ATOM 0 HB ILE A 34 122.688 12.076 9.268 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.461 11.015 11.388 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.530 12.764 11.474 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.760 14.151 10.284 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.565 13.352 9.235 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.439 13.201 11.004 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.566 11.821 13.557 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.353 12.803 12.701 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.283 11.027 12.613 1.00 0.00 H new ATOM 526 N LEU A 35 119.118 10.807 8.588 1.00 0.00 N ATOM 527 CA LEU A 35 118.365 10.591 7.316 1.00 0.00 C ATOM 528 C LEU A 35 117.588 11.849 6.937 1.00 0.00 C ATOM 529 O LEU A 35 116.725 12.301 7.667 1.00 0.00 O ATOM 530 CB LEU A 35 117.405 9.441 7.626 1.00 0.00 C ATOM 531 CG LEU A 35 116.727 8.968 6.336 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.637 7.971 5.614 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.400 8.288 6.679 1.00 0.00 C ATOM 0 H LEU A 35 118.538 10.970 9.411 1.00 0.00 H new ATOM 0 HA LEU A 35 119.023 10.365 6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 35 117.948 8.616 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.653 9.767 8.344 1.00 0.00 H new ATOM 0 HG LEU A 35 116.542 9.825 5.689 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.153 7.635 4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.584 8.453 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 35 117.823 7.114 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 35 114.916 7.951 5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.587 7.432 7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.750 8.997 7.193 1.00 0.00 H new ATOM 545 N GLN A 36 117.895 12.414 5.797 1.00 0.00 N ATOM 546 CA GLN A 36 117.095 13.561 5.284 1.00 0.00 C ATOM 547 C GLN A 36 115.972 13.037 4.393 1.00 0.00 C ATOM 548 O GLN A 36 116.197 12.199 3.540 1.00 0.00 O ATOM 549 CB GLN A 36 118.078 14.402 4.469 1.00 0.00 C ATOM 550 CG GLN A 36 119.109 15.035 5.404 1.00 0.00 C ATOM 551 CD GLN A 36 120.112 15.852 4.585 1.00 0.00 C ATOM 552 OE1 GLN A 36 120.483 15.464 3.495 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.568 16.976 5.068 1.00 0.00 N ATOM 0 H GLN A 36 118.670 12.127 5.199 1.00 0.00 H new ATOM 0 HA GLN A 36 116.636 14.143 6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.578 13.779 3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.542 15.178 3.923 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.610 15.676 6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.629 14.260 5.966 1.00 0.00 H new ATOM 0 HE21 GLN A 36 120.256 17.302 5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.236 17.529 4.530 1.00 0.00 H new ATOM 562 N LEU A 37 114.768 13.520 4.588 1.00 0.00 N ATOM 563 CA LEU A 37 113.641 13.137 3.685 1.00 0.00 C ATOM 564 C LEU A 37 113.102 14.377 2.968 1.00 0.00 C ATOM 565 O LEU A 37 112.711 15.344 3.595 1.00 0.00 O ATOM 566 CB LEU A 37 112.567 12.559 4.612 1.00 0.00 C ATOM 567 CG LEU A 37 112.836 11.073 4.859 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.034 10.604 6.075 1.00 0.00 C ATOM 569 CD2 LEU A 37 112.408 10.268 3.630 1.00 0.00 C ATOM 0 H LEU A 37 114.518 14.165 5.337 1.00 0.00 H new ATOM 0 HA LEU A 37 113.950 12.425 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.563 13.099 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.581 12.690 4.166 1.00 0.00 H new ATOM 0 HG LEU A 37 113.900 10.923 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.226 9.545 6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.334 11.178 6.952 1.00 0.00 H new ATOM 0 HD13 LEU A 37 110.970 10.754 5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 37 112.599 9.209 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 37 111.344 10.420 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 37 112.976 10.601 2.761 1.00 0.00 H new ATOM 581 N ARG A 38 113.081 14.352 1.658 1.00 0.00 N ATOM 582 CA ARG A 38 112.486 15.490 0.892 1.00 0.00 C ATOM 583 C ARG A 38 111.045 15.154 0.501 1.00 0.00 C ATOM 584 O ARG A 38 110.806 14.369 -0.398 1.00 0.00 O ATOM 585 CB ARG A 38 113.363 15.633 -0.354 1.00 0.00 C ATOM 586 CG ARG A 38 112.930 16.866 -1.155 1.00 0.00 C ATOM 587 CD ARG A 38 113.773 16.970 -2.429 1.00 0.00 C ATOM 588 NE ARG A 38 113.365 18.262 -3.071 1.00 0.00 N ATOM 589 CZ ARG A 38 113.640 18.520 -4.336 1.00 0.00 C ATOM 590 NH1 ARG A 38 114.289 17.660 -5.089 1.00 0.00 N ATOM 591 NH2 ARG A 38 113.261 19.657 -4.850 1.00 0.00 N ATOM 0 H ARG A 38 113.450 13.592 1.086 1.00 0.00 H new ATOM 0 HA ARG A 38 112.455 16.413 1.472 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.410 15.725 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.281 14.739 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.873 16.794 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 38 113.051 17.766 -0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.838 16.966 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.588 16.126 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 38 112.864 18.957 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.593 16.768 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 38 114.489 17.885 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.759 20.334 -4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 38 113.467 19.869 -5.826 1.00 0.00 H new ATOM 605 N LEU A 39 110.089 15.744 1.171 1.00 0.00 N ATOM 606 CA LEU A 39 108.663 15.360 0.943 1.00 0.00 C ATOM 607 C LEU A 39 108.068 16.128 -0.244 1.00 0.00 C ATOM 608 O LEU A 39 108.506 17.217 -0.577 1.00 0.00 O ATOM 609 CB LEU A 39 107.947 15.715 2.254 1.00 0.00 C ATOM 610 CG LEU A 39 106.528 15.123 2.282 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.570 13.608 2.059 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.911 15.389 3.653 1.00 0.00 C ATOM 0 H LEU A 39 110.234 16.476 1.867 1.00 0.00 H new ATOM 0 HA LEU A 39 108.556 14.304 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.520 15.336 3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.896 16.798 2.363 1.00 0.00 H new ATOM 0 HG LEU A 39 105.939 15.586 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.556 13.209 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 39 107.022 13.395 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 39 107.162 13.141 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.904 14.974 3.685 1.00 0.00 H new ATOM 0 HD22 LEU A 39 106.522 14.920 4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.866 16.464 3.829 1.00 0.00 H new ATOM 624 N ALA A 40 107.065 15.559 -0.875 1.00 0.00 N ATOM 625 CA ALA A 40 106.554 16.108 -2.177 1.00 0.00 C ATOM 626 C ALA A 40 105.927 17.504 -2.012 1.00 0.00 C ATOM 627 O ALA A 40 105.572 18.137 -2.988 1.00 0.00 O ATOM 628 CB ALA A 40 105.495 15.109 -2.648 1.00 0.00 C ATOM 0 H ALA A 40 106.574 14.730 -0.541 1.00 0.00 H new ATOM 0 HA ALA A 40 107.369 16.227 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.075 15.444 -3.597 1.00 0.00 H new ATOM 0 HB2 ALA A 40 105.953 14.129 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 40 104.702 15.042 -1.904 1.00 0.00 H new ATOM 634 N ASN A 41 105.786 17.990 -0.799 1.00 0.00 N ATOM 635 CA ASN A 41 105.301 19.396 -0.602 1.00 0.00 C ATOM 636 C ASN A 41 106.476 20.396 -0.657 1.00 0.00 C ATOM 637 O ASN A 41 106.426 21.438 -0.031 1.00 0.00 O ATOM 638 CB ASN A 41 104.638 19.405 0.790 1.00 0.00 C ATOM 639 CG ASN A 41 105.663 19.078 1.888 1.00 0.00 C ATOM 640 OD1 ASN A 41 106.757 18.627 1.607 1.00 0.00 O ATOM 641 ND2 ASN A 41 105.349 19.290 3.137 1.00 0.00 N ATOM 0 H ASN A 41 105.985 17.476 0.059 1.00 0.00 H new ATOM 0 HA ASN A 41 104.605 19.698 -1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.195 20.383 0.980 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.827 18.677 0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 41 106.020 19.078 3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 41 104.432 19.668 3.375 1.00 0.00 H new ATOM 648 N ASP A 42 107.533 20.088 -1.398 1.00 0.00 N ATOM 649 CA ASP A 42 108.687 21.040 -1.551 1.00 0.00 C ATOM 650 C ASP A 42 109.276 21.390 -0.178 1.00 0.00 C ATOM 651 O ASP A 42 109.804 22.469 0.016 1.00 0.00 O ATOM 652 CB ASP A 42 108.120 22.298 -2.230 1.00 0.00 C ATOM 653 CG ASP A 42 107.605 21.942 -3.628 1.00 0.00 C ATOM 654 OD1 ASP A 42 108.276 21.187 -4.313 1.00 0.00 O ATOM 655 OD2 ASP A 42 106.546 22.431 -3.989 1.00 0.00 O ATOM 0 H ASP A 42 107.639 19.209 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 42 109.489 20.599 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 42 107.311 22.714 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 42 108.892 23.064 -2.300 1.00 0.00 H new ATOM 660 N SER A 43 109.190 20.484 0.777 1.00 0.00 N ATOM 661 CA SER A 43 109.767 20.762 2.129 1.00 0.00 C ATOM 662 C SER A 43 110.832 19.720 2.479 1.00 0.00 C ATOM 663 O SER A 43 110.661 18.540 2.236 1.00 0.00 O ATOM 664 CB SER A 43 108.584 20.661 3.090 1.00 0.00 C ATOM 665 OG SER A 43 107.569 21.568 2.682 1.00 0.00 O ATOM 0 H SER A 43 108.747 19.571 0.674 1.00 0.00 H new ATOM 0 HA SER A 43 110.252 21.737 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 43 108.195 19.643 3.101 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.905 20.890 4.106 1.00 0.00 H new ATOM 0 HG SER A 43 107.202 21.282 1.820 1.00 0.00 H new ATOM 671 N THR A 44 111.929 20.155 3.049 1.00 0.00 N ATOM 672 CA THR A 44 112.986 19.194 3.495 1.00 0.00 C ATOM 673 C THR A 44 112.838 18.901 4.992 1.00 0.00 C ATOM 674 O THR A 44 112.365 19.731 5.748 1.00 0.00 O ATOM 675 CB THR A 44 114.330 19.885 3.193 1.00 0.00 C ATOM 676 OG1 THR A 44 115.395 19.027 3.577 1.00 0.00 O ATOM 677 CG2 THR A 44 114.450 21.215 3.953 1.00 0.00 C ATOM 0 H THR A 44 112.139 21.138 3.225 1.00 0.00 H new ATOM 0 HA THR A 44 112.912 18.236 2.981 1.00 0.00 H new ATOM 0 HB THR A 44 114.379 20.093 2.124 1.00 0.00 H new ATOM 0 HG1 THR A 44 116.252 19.463 3.385 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.408 21.681 3.722 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.641 21.880 3.652 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.387 21.028 5.025 1.00 0.00 H new ATOM 685 N LYS A 45 113.238 17.730 5.422 1.00 0.00 N ATOM 686 CA LYS A 45 113.162 17.396 6.879 1.00 0.00 C ATOM 687 C LYS A 45 114.295 16.440 7.264 1.00 0.00 C ATOM 688 O LYS A 45 114.389 15.340 6.752 1.00 0.00 O ATOM 689 CB LYS A 45 111.800 16.722 7.059 1.00 0.00 C ATOM 690 CG LYS A 45 111.521 16.517 8.551 1.00 0.00 C ATOM 691 CD LYS A 45 110.184 15.795 8.725 1.00 0.00 C ATOM 692 CE LYS A 45 109.839 15.711 10.214 1.00 0.00 C ATOM 693 NZ LYS A 45 109.223 17.027 10.539 1.00 0.00 N ATOM 0 H LYS A 45 113.614 16.991 4.828 1.00 0.00 H new ATOM 0 HA LYS A 45 113.266 18.277 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.017 17.336 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.786 15.763 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.323 15.935 9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.496 17.479 9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.399 16.327 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.241 14.794 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.149 14.891 10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.730 15.532 10.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.555 17.345 11.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.495 17.725 9.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.188 16.931 10.555 1.00 0.00 H new ATOM 707 N SER A 46 115.153 16.855 8.165 1.00 0.00 N ATOM 708 CA SER A 46 116.273 15.972 8.609 1.00 0.00 C ATOM 709 C SER A 46 115.895 15.245 9.903 1.00 0.00 C ATOM 710 O SER A 46 115.584 15.865 10.903 1.00 0.00 O ATOM 711 CB SER A 46 117.450 16.917 8.852 1.00 0.00 C ATOM 712 OG SER A 46 117.159 17.753 9.965 1.00 0.00 O ATOM 0 H SER A 46 115.124 17.771 8.612 1.00 0.00 H new ATOM 0 HA SER A 46 116.510 15.205 7.871 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.358 16.344 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.634 17.523 7.965 1.00 0.00 H new ATOM 0 HG SER A 46 116.369 17.411 10.433 1.00 0.00 H new ATOM 718 N ILE A 47 115.921 13.934 9.887 1.00 0.00 N ATOM 719 CA ILE A 47 115.587 13.150 11.118 1.00 0.00 C ATOM 720 C ILE A 47 116.692 12.120 11.382 1.00 0.00 C ATOM 721 O ILE A 47 117.129 11.430 10.479 1.00 0.00 O ATOM 722 CB ILE A 47 114.247 12.457 10.816 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.172 13.511 10.516 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.807 11.627 12.028 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.930 12.827 9.939 1.00 0.00 C ATOM 0 H ILE A 47 116.160 13.371 9.071 1.00 0.00 H new ATOM 0 HA ILE A 47 115.511 13.778 12.006 1.00 0.00 H new ATOM 0 HB ILE A 47 114.374 11.806 9.951 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.913 14.050 11.427 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.556 14.246 9.809 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.858 11.138 11.809 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.562 10.872 12.245 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.688 12.280 12.892 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.168 13.576 9.726 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.195 12.308 9.018 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.542 12.109 10.661 1.00 0.00 H new ATOM 737 N VAL A 48 117.143 12.016 12.608 1.00 0.00 N ATOM 738 CA VAL A 48 118.213 11.019 12.933 1.00 0.00 C ATOM 739 C VAL A 48 117.576 9.634 13.137 1.00 0.00 C ATOM 740 O VAL A 48 116.647 9.473 13.904 1.00 0.00 O ATOM 741 CB VAL A 48 118.882 11.534 14.221 1.00 0.00 C ATOM 742 CG1 VAL A 48 120.032 10.598 14.624 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.432 12.953 13.991 1.00 0.00 C ATOM 0 H VAL A 48 116.818 12.576 13.396 1.00 0.00 H new ATOM 0 HA VAL A 48 118.949 10.914 12.136 1.00 0.00 H new ATOM 0 HB VAL A 48 118.141 11.558 15.020 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.500 10.969 15.536 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.641 9.596 14.799 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.772 10.565 13.824 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.904 13.313 14.905 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.167 12.932 13.187 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.614 13.620 13.718 1.00 0.00 H new ATOM 753 N THR A 49 118.083 8.639 12.449 1.00 0.00 N ATOM 754 CA THR A 49 117.356 7.327 12.326 1.00 0.00 C ATOM 755 C THR A 49 117.069 6.692 13.690 1.00 0.00 C ATOM 756 O THR A 49 116.150 5.910 13.828 1.00 0.00 O ATOM 757 CB THR A 49 118.292 6.427 11.515 1.00 0.00 C ATOM 758 OG1 THR A 49 119.577 6.412 12.123 1.00 0.00 O ATOM 759 CG2 THR A 49 118.405 6.961 10.086 1.00 0.00 C ATOM 0 H THR A 49 118.978 8.677 11.961 1.00 0.00 H new ATOM 0 HA THR A 49 116.384 7.467 11.852 1.00 0.00 H new ATOM 0 HB THR A 49 117.891 5.414 11.490 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.134 7.115 11.728 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.072 6.320 9.510 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.419 6.970 9.622 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.805 7.975 10.107 1.00 0.00 H new ATOM 767 N LYS A 50 117.848 7.016 14.691 1.00 0.00 N ATOM 768 CA LYS A 50 117.673 6.358 16.034 1.00 0.00 C ATOM 769 C LYS A 50 116.238 6.536 16.559 1.00 0.00 C ATOM 770 O LYS A 50 115.777 5.772 17.387 1.00 0.00 O ATOM 771 CB LYS A 50 118.694 7.036 16.967 1.00 0.00 C ATOM 772 CG LYS A 50 118.311 8.503 17.209 1.00 0.00 C ATOM 773 CD LYS A 50 119.422 9.201 18.001 1.00 0.00 C ATOM 774 CE LYS A 50 118.923 10.564 18.485 1.00 0.00 C ATOM 775 NZ LYS A 50 118.154 10.273 19.727 1.00 0.00 N ATOM 0 H LYS A 50 118.598 7.706 14.642 1.00 0.00 H new ATOM 0 HA LYS A 50 117.840 5.282 15.974 1.00 0.00 H new ATOM 0 HB2 LYS A 50 118.736 6.504 17.917 1.00 0.00 H new ATOM 0 HB3 LYS A 50 119.690 6.982 16.527 1.00 0.00 H new ATOM 0 HG2 LYS A 50 118.155 9.010 16.257 1.00 0.00 H new ATOM 0 HG3 LYS A 50 117.370 8.558 17.757 1.00 0.00 H new ATOM 0 HD2 LYS A 50 119.718 8.587 18.852 1.00 0.00 H new ATOM 0 HD3 LYS A 50 120.306 9.326 17.375 1.00 0.00 H new ATOM 0 HE2 LYS A 50 119.754 11.241 18.684 1.00 0.00 H new ATOM 0 HE3 LYS A 50 118.294 11.044 17.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 117.300 10.866 19.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 117.880 9.270 19.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 118.745 10.480 20.558 1.00 0.00 H new ATOM 789 N ASP A 51 115.537 7.536 16.081 1.00 0.00 N ATOM 790 CA ASP A 51 114.106 7.711 16.495 1.00 0.00 C ATOM 791 C ASP A 51 113.173 6.801 15.673 1.00 0.00 C ATOM 792 O ASP A 51 111.974 6.793 15.885 1.00 0.00 O ATOM 793 CB ASP A 51 113.775 9.198 16.267 1.00 0.00 C ATOM 794 CG ASP A 51 113.998 9.603 14.801 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.647 8.831 13.924 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.515 10.686 14.582 1.00 0.00 O ATOM 0 H ASP A 51 115.889 8.235 15.427 1.00 0.00 H new ATOM 0 HA ASP A 51 113.960 7.430 17.538 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.738 9.389 16.545 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.398 9.815 16.915 1.00 0.00 H new ATOM 801 N ILE A 52 113.707 6.037 14.742 1.00 0.00 N ATOM 802 CA ILE A 52 112.846 5.098 13.949 1.00 0.00 C ATOM 803 C ILE A 52 112.511 3.857 14.784 1.00 0.00 C ATOM 804 O ILE A 52 113.382 3.233 15.363 1.00 0.00 O ATOM 805 CB ILE A 52 113.683 4.710 12.716 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.011 5.964 11.896 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.894 3.730 11.837 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.034 5.616 10.810 1.00 0.00 C ATOM 0 H ILE A 52 114.698 6.024 14.499 1.00 0.00 H new ATOM 0 HA ILE A 52 111.900 5.557 13.662 1.00 0.00 H new ATOM 0 HB ILE A 52 114.607 4.238 13.052 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.103 6.361 11.441 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.408 6.743 12.547 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.492 3.460 10.967 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.662 2.833 12.411 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.967 4.201 11.509 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.265 6.509 10.229 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.945 5.240 11.275 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.620 4.852 10.152 1.00 0.00 H new ATOM 820 N LYS A 53 111.252 3.502 14.845 1.00 0.00 N ATOM 821 CA LYS A 53 110.867 2.178 15.421 1.00 0.00 C ATOM 822 C LYS A 53 110.804 1.133 14.303 1.00 0.00 C ATOM 823 O LYS A 53 111.083 -0.030 14.521 1.00 0.00 O ATOM 824 CB LYS A 53 109.483 2.388 16.043 1.00 0.00 C ATOM 825 CG LYS A 53 109.067 1.130 16.810 1.00 0.00 C ATOM 826 CD LYS A 53 107.658 1.320 17.377 1.00 0.00 C ATOM 827 CE LYS A 53 107.305 0.133 18.276 1.00 0.00 C ATOM 828 NZ LYS A 53 107.923 0.452 19.593 1.00 0.00 N ATOM 0 H LYS A 53 110.473 4.074 14.520 1.00 0.00 H new ATOM 0 HA LYS A 53 111.584 1.822 16.161 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.502 3.246 16.715 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.753 2.609 15.264 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.091 0.264 16.149 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.772 0.934 17.618 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.605 2.249 17.945 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.936 1.402 16.565 1.00 0.00 H new ATOM 0 HE2 LYS A 53 106.225 0.012 18.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.698 -0.800 17.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.334 -0.411 20.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 108.670 1.163 19.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 107.196 0.827 20.236 1.00 0.00 H new ATOM 842 N ASP A 54 110.443 1.548 13.107 1.00 0.00 N ATOM 843 CA ASP A 54 110.310 0.581 11.968 1.00 0.00 C ATOM 844 C ASP A 54 110.269 1.339 10.637 1.00 0.00 C ATOM 845 O ASP A 54 109.973 2.519 10.595 1.00 0.00 O ATOM 846 CB ASP A 54 108.986 -0.157 12.201 1.00 0.00 C ATOM 847 CG ASP A 54 109.222 -1.413 13.045 1.00 0.00 C ATOM 848 OD1 ASP A 54 110.220 -2.079 12.818 1.00 0.00 O ATOM 849 OD2 ASP A 54 108.402 -1.688 13.904 1.00 0.00 O ATOM 0 H ASP A 54 110.235 2.518 12.872 1.00 0.00 H new ATOM 0 HA ASP A 54 111.152 -0.110 11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 54 108.278 0.501 12.705 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.541 -0.431 11.245 1.00 0.00 H new ATOM 854 N LEU A 55 110.565 0.662 9.552 1.00 0.00 N ATOM 855 CA LEU A 55 110.561 1.329 8.214 1.00 0.00 C ATOM 856 C LEU A 55 109.805 0.474 7.194 1.00 0.00 C ATOM 857 O LEU A 55 109.769 -0.739 7.295 1.00 0.00 O ATOM 858 CB LEU A 55 112.035 1.442 7.815 1.00 0.00 C ATOM 859 CG LEU A 55 112.758 2.401 8.763 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.267 2.284 8.550 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.316 3.837 8.471 1.00 0.00 C ATOM 0 H LEU A 55 110.810 -0.328 9.538 1.00 0.00 H new ATOM 0 HA LEU A 55 110.069 2.301 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.506 0.460 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 55 112.117 1.800 6.789 1.00 0.00 H new ATOM 0 HG LEU A 55 112.513 2.146 9.794 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.784 2.967 9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.585 1.262 8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.510 2.540 7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.831 4.521 9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.562 4.091 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.240 3.923 8.619 1.00 0.00 H new ATOM 873 N ARG A 56 109.199 1.102 6.216 1.00 0.00 N ATOM 874 CA ARG A 56 108.527 0.336 5.122 1.00 0.00 C ATOM 875 C ARG A 56 108.557 1.145 3.821 1.00 0.00 C ATOM 876 O ARG A 56 108.399 2.351 3.836 1.00 0.00 O ATOM 877 CB ARG A 56 107.083 0.123 5.601 1.00 0.00 C ATOM 878 CG ARG A 56 106.360 1.472 5.728 1.00 0.00 C ATOM 879 CD ARG A 56 104.933 1.254 6.234 1.00 0.00 C ATOM 880 NE ARG A 56 105.076 0.674 7.609 1.00 0.00 N ATOM 881 CZ ARG A 56 104.070 0.063 8.207 1.00 0.00 C ATOM 882 NH1 ARG A 56 102.897 -0.061 7.629 1.00 0.00 N ATOM 883 NH2 ARG A 56 104.244 -0.429 9.402 1.00 0.00 N ATOM 0 H ARG A 56 109.141 2.117 6.129 1.00 0.00 H new ATOM 0 HA ARG A 56 109.023 -0.613 4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.550 -0.518 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 56 107.083 -0.389 6.563 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.903 2.122 6.414 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.339 1.975 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.379 2.192 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.384 0.578 5.579 1.00 0.00 H new ATOM 0 HE ARG A 56 105.970 0.753 8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.746 0.320 6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.137 -0.538 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.149 -0.339 9.864 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.475 -0.903 9.875 1.00 0.00 H new ATOM 897 N ILE A 57 108.761 0.496 2.705 1.00 0.00 N ATOM 898 CA ILE A 57 108.660 1.212 1.396 1.00 0.00 C ATOM 899 C ILE A 57 107.200 1.243 0.930 1.00 0.00 C ATOM 900 O ILE A 57 106.513 0.239 0.960 1.00 0.00 O ATOM 901 CB ILE A 57 109.526 0.421 0.404 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.961 0.293 0.936 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.554 1.169 -0.933 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.740 -0.709 0.080 1.00 0.00 C ATOM 0 H ILE A 57 108.992 -0.495 2.642 1.00 0.00 H new ATOM 0 HA ILE A 57 109.001 2.244 1.475 1.00 0.00 H new ATOM 0 HB ILE A 57 109.105 -0.576 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.455 1.265 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.946 -0.036 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 57 110.166 0.617 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.539 1.260 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.977 2.163 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.758 -0.798 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 57 111.250 -1.682 0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.767 -0.362 -0.953 1.00 0.00 H new ATOM 916 N LEU A 58 106.726 2.389 0.502 1.00 0.00 N ATOM 917 CA LEU A 58 105.304 2.494 0.046 1.00 0.00 C ATOM 918 C LEU A 58 105.178 2.008 -1.407 1.00 0.00 C ATOM 919 O LEU A 58 106.160 1.972 -2.125 1.00 0.00 O ATOM 920 CB LEU A 58 104.952 3.979 0.148 1.00 0.00 C ATOM 921 CG LEU A 58 104.878 4.385 1.620 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.078 5.897 1.742 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.508 4.006 2.186 1.00 0.00 C ATOM 0 H LEU A 58 107.262 3.255 0.449 1.00 0.00 H new ATOM 0 HA LEU A 58 104.634 1.880 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.702 4.578 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.998 4.172 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 58 105.658 3.868 2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.025 6.187 2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.054 6.169 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.298 6.414 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.455 4.295 3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.728 4.523 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.364 2.929 2.099 1.00 0.00 H new ATOM 1736 N SER B 257 112.029 -4.876 2.471 1.00 0.00 N ATOM 1737 CA SER B 257 111.759 -3.750 3.428 1.00 0.00 C ATOM 1738 C SER B 257 112.423 -4.023 4.781 1.00 0.00 C ATOM 1739 O SER B 257 112.980 -3.136 5.402 1.00 0.00 O ATOM 1740 CB SER B 257 110.238 -3.724 3.591 1.00 0.00 C ATOM 1741 OG SER B 257 109.879 -2.670 4.474 1.00 0.00 O ATOM 0 HA SER B 257 112.155 -2.803 3.061 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.759 -3.581 2.622 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.886 -4.678 3.983 1.00 0.00 H new ATOM 0 HG SER B 257 108.930 -2.746 4.706 1.00 0.00 H new ATOM 1747 N SER B 258 112.363 -5.252 5.231 1.00 0.00 N ATOM 1748 CA SER B 258 112.961 -5.602 6.559 1.00 0.00 C ATOM 1749 C SER B 258 114.491 -5.526 6.490 1.00 0.00 C ATOM 1750 O SER B 258 115.147 -5.220 7.467 1.00 0.00 O ATOM 1751 CB SER B 258 112.508 -7.035 6.850 1.00 0.00 C ATOM 1752 OG SER B 258 113.144 -7.925 5.943 1.00 0.00 O ATOM 0 H SER B 258 111.926 -6.029 4.736 1.00 0.00 H new ATOM 0 HA SER B 258 112.642 -4.913 7.341 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.757 -7.305 7.876 1.00 0.00 H new ATOM 0 HB3 SER B 258 111.425 -7.112 6.753 1.00 0.00 H new ATOM 0 HG SER B 258 112.856 -8.843 6.129 1.00 0.00 H new ATOM 1758 N GLN B 259 115.059 -5.802 5.338 1.00 0.00 N ATOM 1759 CA GLN B 259 116.551 -5.735 5.190 1.00 0.00 C ATOM 1760 C GLN B 259 117.046 -4.303 5.418 1.00 0.00 C ATOM 1761 O GLN B 259 118.091 -4.087 6.005 1.00 0.00 O ATOM 1762 CB GLN B 259 116.838 -6.177 3.750 1.00 0.00 C ATOM 1763 CG GLN B 259 118.344 -6.369 3.564 1.00 0.00 C ATOM 1764 CD GLN B 259 118.633 -6.767 2.115 1.00 0.00 C ATOM 1765 OE1 GLN B 259 117.897 -7.534 1.525 1.00 0.00 O ATOM 1766 NE2 GLN B 259 119.679 -6.273 1.512 1.00 0.00 N ATOM 0 H GLN B 259 114.554 -6.071 4.494 1.00 0.00 H new ATOM 0 HA GLN B 259 117.060 -6.368 5.917 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.313 -7.107 3.533 1.00 0.00 H new ATOM 0 HB3 GLN B 259 116.467 -5.430 3.048 1.00 0.00 H new ATOM 0 HG2 GLN B 259 118.872 -5.448 3.812 1.00 0.00 H new ATOM 0 HG3 GLN B 259 118.710 -7.139 4.244 1.00 0.00 H new ATOM 0 HE21 GLN B 259 120.296 -5.629 2.007 1.00 0.00 H new ATOM 0 HE22 GLN B 259 119.879 -6.530 0.546 1.00 0.00 H new ATOM 1775 N LEU B 260 116.299 -3.326 4.958 1.00 0.00 N ATOM 1776 CA LEU B 260 116.715 -1.898 5.151 1.00 0.00 C ATOM 1777 C LEU B 260 116.687 -1.534 6.639 1.00 0.00 C ATOM 1778 O LEU B 260 117.580 -0.875 7.140 1.00 0.00 O ATOM 1779 CB LEU B 260 115.690 -1.061 4.378 1.00 0.00 C ATOM 1780 CG LEU B 260 115.811 -1.354 2.880 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.619 -0.741 2.143 1.00 0.00 C ATOM 1782 CD2 LEU B 260 117.108 -0.743 2.343 1.00 0.00 C ATOM 0 H LEU B 260 115.420 -3.455 4.458 1.00 0.00 H new ATOM 0 HA LEU B 260 117.730 -1.721 4.795 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.682 -1.292 4.724 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.856 -0.000 4.566 1.00 0.00 H new ATOM 0 HG LEU B 260 115.823 -2.432 2.721 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.704 -0.949 1.076 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.694 -1.174 2.524 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.608 0.337 2.302 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.194 -0.952 1.277 1.00 0.00 H new ATOM 0 HD22 LEU B 260 117.095 0.335 2.502 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.959 -1.177 2.868 1.00 0.00 H new ATOM 1794 N LEU B 261 115.667 -1.960 7.344 1.00 0.00 N ATOM 1795 CA LEU B 261 115.615 -1.713 8.820 1.00 0.00 C ATOM 1796 C LEU B 261 116.667 -2.574 9.527 1.00 0.00 C ATOM 1797 O LEU B 261 117.296 -2.143 10.475 1.00 0.00 O ATOM 1798 CB LEU B 261 114.202 -2.117 9.256 1.00 0.00 C ATOM 1799 CG LEU B 261 113.957 -1.665 10.699 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.838 -0.139 10.745 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.658 -2.289 11.215 1.00 0.00 C ATOM 0 H LEU B 261 114.869 -2.468 6.962 1.00 0.00 H new ATOM 0 HA LEU B 261 115.825 -0.674 9.072 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.464 -1.666 8.593 1.00 0.00 H new ATOM 0 HB3 LEU B 261 114.082 -3.198 9.178 1.00 0.00 H new ATOM 0 HG LEU B 261 114.791 -1.985 11.324 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.664 0.182 11.772 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.761 0.309 10.377 1.00 0.00 H new ATOM 0 HD13 LEU B 261 113.005 0.180 10.119 1.00 0.00 H new ATOM 0 HD21 LEU B 261 112.483 -1.968 12.242 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.826 -1.969 10.588 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.739 -3.376 11.183 1.00 0.00 H new ATOM 1813 N SER B 262 116.857 -3.789 9.066 1.00 0.00 N ATOM 1814 CA SER B 262 117.916 -4.674 9.656 1.00 0.00 C ATOM 1815 C SER B 262 119.306 -4.059 9.452 1.00 0.00 C ATOM 1816 O SER B 262 120.173 -4.173 10.299 1.00 0.00 O ATOM 1817 CB SER B 262 117.808 -5.998 8.900 1.00 0.00 C ATOM 1818 OG SER B 262 116.526 -6.568 9.131 1.00 0.00 O ATOM 0 H SER B 262 116.323 -4.208 8.304 1.00 0.00 H new ATOM 0 HA SER B 262 117.779 -4.805 10.729 1.00 0.00 H new ATOM 0 HB2 SER B 262 117.959 -5.834 7.833 1.00 0.00 H new ATOM 0 HB3 SER B 262 118.588 -6.683 9.231 1.00 0.00 H new ATOM 0 HG SER B 262 115.955 -6.416 8.349 1.00 0.00 H new ATOM 1824 N LEU B 263 119.520 -3.408 8.331 1.00 0.00 N ATOM 1825 CA LEU B 263 120.857 -2.782 8.058 1.00 0.00 C ATOM 1826 C LEU B 263 121.135 -1.665 9.068 1.00 0.00 C ATOM 1827 O LEU B 263 122.233 -1.540 9.580 1.00 0.00 O ATOM 1828 CB LEU B 263 120.759 -2.207 6.642 1.00 0.00 C ATOM 1829 CG LEU B 263 120.900 -3.335 5.618 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.296 -2.893 4.284 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.383 -3.659 5.420 1.00 0.00 C ATOM 0 H LEU B 263 118.827 -3.283 7.593 1.00 0.00 H new ATOM 0 HA LEU B 263 121.669 -3.504 8.145 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.803 -1.700 6.510 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.539 -1.462 6.487 1.00 0.00 H new ATOM 0 HG LEU B 263 120.376 -4.220 5.979 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.397 -3.697 3.555 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.241 -2.659 4.422 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.820 -2.008 3.923 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.486 -4.463 4.691 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.904 -2.772 5.059 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.817 -3.973 6.369 1.00 0.00 H new