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: B 257 SER OG : rot 180:sc= -0.13 USER MOD Set 1.2: B 258 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 ASN : amide:sc= -1.32 K(o=-1.3,f=-10!) USER MOD Set 2.2: A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 45:sc= 0.163 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 9 SER OG : rot -140:sc= -0.446 USER MOD Single : A 10 ASN : amide:sc= -9.67! C(o=-9.7!,f=-15!) USER MOD Single : A 16 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -121:sc= -2.43 USER MOD Single : A 27 ASN : amide:sc= -0.0817 K(o=-0.082,f=-1.2!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.273 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 33 SER OG : rot -37:sc= 0.737 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 41 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.8) USER MOD Single : A 43 SER OG : rot 180:sc= 0 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 40:sc= 0.849! USER MOD Single : A 49 THR OG1 : rot -89:sc= 0.328 USER MOD Single : A 50 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0915) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 259 GLN : amide:sc=-0.000286 K(o=-0.00029,f=-0.82) USER MOD Single : B 262 SER OG : rot -36:sc= 0.0502 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.352 -1.506 -0.073 1.00 0.00 N ATOM 45 CA SER A 2 123.677 -0.323 0.781 1.00 0.00 C ATOM 46 C SER A 2 122.555 0.713 0.692 1.00 0.00 C ATOM 47 O SER A 2 121.730 0.669 -0.202 1.00 0.00 O ATOM 48 CB SER A 2 124.974 0.239 0.202 1.00 0.00 C ATOM 49 OG SER A 2 125.996 -0.745 0.297 1.00 0.00 O ATOM 0 HA SER A 2 123.783 -0.588 1.833 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.826 0.527 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.268 1.138 0.743 1.00 0.00 H new ATOM 0 HG SER A 2 125.642 -1.613 0.011 1.00 0.00 H new ATOM 55 N VAL A 3 122.521 1.645 1.615 1.00 0.00 N ATOM 56 CA VAL A 3 121.454 2.698 1.592 1.00 0.00 C ATOM 57 C VAL A 3 121.634 3.606 0.364 1.00 0.00 C ATOM 58 O VAL A 3 120.679 4.171 -0.136 1.00 0.00 O ATOM 59 CB VAL A 3 121.630 3.494 2.895 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.591 4.622 2.972 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.441 2.562 4.096 1.00 0.00 C ATOM 0 H VAL A 3 123.186 1.722 2.384 1.00 0.00 H new ATOM 0 HA VAL A 3 120.455 2.268 1.524 1.00 0.00 H new ATOM 0 HB VAL A 3 122.632 3.923 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.726 5.178 3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.720 5.294 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.588 4.195 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.566 3.128 5.019 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.440 2.130 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 3 122.182 1.763 4.057 1.00 0.00 H new ATOM 71 N ALA A 4 122.848 3.750 -0.122 1.00 0.00 N ATOM 72 CA ALA A 4 123.094 4.626 -1.319 1.00 0.00 C ATOM 73 C ALA A 4 122.204 4.192 -2.490 1.00 0.00 C ATOM 74 O ALA A 4 121.803 4.998 -3.310 1.00 0.00 O ATOM 75 CB ALA A 4 124.570 4.423 -1.673 1.00 0.00 C ATOM 0 H ALA A 4 123.680 3.299 0.258 1.00 0.00 H new ATOM 0 HA ALA A 4 122.864 5.671 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.823 5.033 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 4 125.191 4.719 -0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.748 3.373 -1.904 1.00 0.00 H new ATOM 81 N ASP A 5 121.897 2.920 -2.565 1.00 0.00 N ATOM 82 CA ASP A 5 120.937 2.431 -3.607 1.00 0.00 C ATOM 83 C ASP A 5 119.522 2.941 -3.306 1.00 0.00 C ATOM 84 O ASP A 5 118.732 3.163 -4.206 1.00 0.00 O ATOM 85 CB ASP A 5 120.984 0.903 -3.524 1.00 0.00 C ATOM 86 CG ASP A 5 122.337 0.400 -4.033 1.00 0.00 C ATOM 87 OD1 ASP A 5 123.342 0.991 -3.675 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.345 -0.570 -4.773 1.00 0.00 O ATOM 0 H ASP A 5 122.270 2.197 -1.949 1.00 0.00 H new ATOM 0 HA ASP A 5 121.201 2.788 -4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.829 0.580 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.178 0.472 -4.118 1.00 0.00 H new ATOM 93 N PHE A 6 119.199 3.124 -2.047 1.00 0.00 N ATOM 94 CA PHE A 6 117.823 3.577 -1.670 1.00 0.00 C ATOM 95 C PHE A 6 117.761 5.103 -1.476 1.00 0.00 C ATOM 96 O PHE A 6 116.772 5.623 -0.994 1.00 0.00 O ATOM 97 CB PHE A 6 117.518 2.862 -0.353 1.00 0.00 C ATOM 98 CG PHE A 6 117.340 1.370 -0.503 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.456 0.507 -0.383 1.00 0.00 C ATOM 100 CD2 PHE A 6 116.055 0.833 -0.761 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.289 -0.892 -0.523 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.887 -0.566 -0.901 1.00 0.00 C ATOM 103 CZ PHE A 6 117.004 -1.429 -0.782 1.00 0.00 C ATOM 0 H PHE A 6 119.833 2.978 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 6 117.101 3.342 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.328 3.054 0.351 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.612 3.286 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.436 0.916 -0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.203 1.491 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.141 -1.549 -0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.907 -0.975 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.876 -2.496 -0.889 1.00 0.00 H new ATOM 113 N TYR A 7 118.798 5.826 -1.845 1.00 0.00 N ATOM 114 CA TYR A 7 118.723 7.326 -1.802 1.00 0.00 C ATOM 115 C TYR A 7 117.723 7.832 -2.847 1.00 0.00 C ATOM 116 O TYR A 7 117.739 7.408 -3.988 1.00 0.00 O ATOM 117 CB TYR A 7 120.139 7.812 -2.156 1.00 0.00 C ATOM 118 CG TYR A 7 121.066 7.993 -0.966 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.884 7.232 0.219 1.00 0.00 C ATOM 120 CD2 TYR A 7 122.135 8.921 -1.045 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.767 7.403 1.312 1.00 0.00 C ATOM 122 CE2 TYR A 7 123.015 9.091 0.048 1.00 0.00 C ATOM 123 CZ TYR A 7 122.834 8.331 1.225 1.00 0.00 C ATOM 124 OH TYR A 7 123.700 8.495 2.286 1.00 0.00 O ATOM 0 H TYR A 7 119.686 5.445 -2.172 1.00 0.00 H new ATOM 0 HA TYR A 7 118.394 7.690 -0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.591 7.099 -2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 7 120.060 8.762 -2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 7 120.072 6.523 0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.278 9.501 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.627 6.825 2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.826 9.802 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 7 124.373 9.170 2.058 1.00 0.00 H new ATOM 134 N GLY A 8 116.857 8.736 -2.461 1.00 0.00 N ATOM 135 CA GLY A 8 115.802 9.232 -3.398 1.00 0.00 C ATOM 136 C GLY A 8 114.606 8.263 -3.430 1.00 0.00 C ATOM 137 O GLY A 8 113.660 8.475 -4.167 1.00 0.00 O ATOM 0 H GLY A 8 116.836 9.154 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.467 10.221 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.218 9.338 -4.400 1.00 0.00 H new ATOM 141 N SER A 9 114.636 7.203 -2.649 1.00 0.00 N ATOM 142 CA SER A 9 113.460 6.277 -2.587 1.00 0.00 C ATOM 143 C SER A 9 112.347 6.881 -1.724 1.00 0.00 C ATOM 144 O SER A 9 112.600 7.433 -0.669 1.00 0.00 O ATOM 145 CB SER A 9 113.992 4.997 -1.941 1.00 0.00 C ATOM 146 OG SER A 9 115.037 4.464 -2.744 1.00 0.00 O ATOM 0 H SER A 9 115.423 6.942 -2.055 1.00 0.00 H new ATOM 0 HA SER A 9 113.035 6.094 -3.574 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.361 5.209 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 9 113.189 4.267 -1.838 1.00 0.00 H new ATOM 0 HG SER A 9 114.960 3.488 -2.775 1.00 0.00 H new ATOM 152 N ASN A 10 111.118 6.778 -2.168 1.00 0.00 N ATOM 153 CA ASN A 10 109.963 7.217 -1.320 1.00 0.00 C ATOM 154 C ASN A 10 109.554 6.078 -0.385 1.00 0.00 C ATOM 155 O ASN A 10 109.219 4.994 -0.826 1.00 0.00 O ATOM 156 CB ASN A 10 108.827 7.523 -2.303 1.00 0.00 C ATOM 157 CG ASN A 10 109.203 8.710 -3.194 1.00 0.00 C ATOM 158 OD1 ASN A 10 110.358 8.909 -3.513 1.00 0.00 O ATOM 159 ND2 ASN A 10 108.265 9.515 -3.613 1.00 0.00 N ATOM 0 H ASN A 10 110.863 6.408 -3.084 1.00 0.00 H new ATOM 0 HA ASN A 10 110.209 8.083 -0.705 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.624 6.647 -2.919 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.912 7.746 -1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 10 108.503 10.309 -4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.294 9.350 -3.346 1.00 0.00 H new ATOM 166 N VAL A 11 109.580 6.321 0.900 1.00 0.00 N ATOM 167 CA VAL A 11 109.206 5.251 1.874 1.00 0.00 C ATOM 168 C VAL A 11 108.465 5.866 3.064 1.00 0.00 C ATOM 169 O VAL A 11 108.545 7.057 3.303 1.00 0.00 O ATOM 170 CB VAL A 11 110.530 4.606 2.323 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.217 3.952 1.120 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.465 5.666 2.925 1.00 0.00 C ATOM 0 H VAL A 11 109.844 7.214 1.317 1.00 0.00 H new ATOM 0 HA VAL A 11 108.541 4.509 1.431 1.00 0.00 H new ATOM 0 HB VAL A 11 110.312 3.852 3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.154 3.496 1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.565 3.186 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.422 4.708 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.397 5.194 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.678 6.430 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.985 6.127 3.788 1.00 0.00 H new ATOM 182 N GLU A 12 107.746 5.062 3.805 1.00 0.00 N ATOM 183 CA GLU A 12 107.048 5.578 5.018 1.00 0.00 C ATOM 184 C GLU A 12 107.732 5.032 6.276 1.00 0.00 C ATOM 185 O GLU A 12 108.245 3.928 6.279 1.00 0.00 O ATOM 186 CB GLU A 12 105.613 5.052 4.904 1.00 0.00 C ATOM 187 CG GLU A 12 104.768 5.578 6.070 1.00 0.00 C ATOM 188 CD GLU A 12 103.378 4.937 6.027 1.00 0.00 C ATOM 189 OE1 GLU A 12 102.832 4.817 4.942 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.882 4.576 7.082 1.00 0.00 O ATOM 0 H GLU A 12 107.613 4.068 3.620 1.00 0.00 H new ATOM 0 HA GLU A 12 107.071 6.666 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.176 5.366 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.615 3.962 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.256 5.350 7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 12 104.681 6.663 6.009 1.00 0.00 H new ATOM 197 N VAL A 13 107.745 5.796 7.338 1.00 0.00 N ATOM 198 CA VAL A 13 108.514 5.385 8.553 1.00 0.00 C ATOM 199 C VAL A 13 107.673 5.628 9.810 1.00 0.00 C ATOM 200 O VAL A 13 107.174 6.716 10.035 1.00 0.00 O ATOM 201 CB VAL A 13 109.776 6.267 8.556 1.00 0.00 C ATOM 202 CG1 VAL A 13 110.661 5.908 9.758 1.00 0.00 C ATOM 203 CG2 VAL A 13 110.567 6.046 7.259 1.00 0.00 C ATOM 0 H VAL A 13 107.256 6.688 7.417 1.00 0.00 H new ATOM 0 HA VAL A 13 108.770 4.326 8.542 1.00 0.00 H new ATOM 0 HB VAL A 13 109.477 7.313 8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.552 6.536 9.754 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.105 6.073 10.681 1.00 0.00 H new ATOM 0 HG13 VAL A 13 110.955 4.860 9.693 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.459 6.672 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 13 110.859 4.999 7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 13 109.945 6.310 6.404 1.00 0.00 H new ATOM 213 N LEU A 14 107.518 4.615 10.628 1.00 0.00 N ATOM 214 CA LEU A 14 106.829 4.798 11.939 1.00 0.00 C ATOM 215 C LEU A 14 107.878 5.023 13.032 1.00 0.00 C ATOM 216 O LEU A 14 108.786 4.228 13.202 1.00 0.00 O ATOM 217 CB LEU A 14 106.067 3.486 12.172 1.00 0.00 C ATOM 218 CG LEU A 14 105.288 3.551 13.491 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.071 4.463 13.328 1.00 0.00 C ATOM 220 CD2 LEU A 14 104.819 2.145 13.873 1.00 0.00 C ATOM 0 H LEU A 14 107.841 3.666 10.441 1.00 0.00 H new ATOM 0 HA LEU A 14 106.157 5.656 11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.381 3.304 11.345 1.00 0.00 H new ATOM 0 HB3 LEU A 14 106.766 2.650 12.195 1.00 0.00 H new ATOM 0 HG LEU A 14 105.935 3.948 14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.520 4.506 14.268 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.401 5.465 13.054 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.423 4.068 12.545 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.265 2.189 14.811 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.174 1.751 13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 14 105.684 1.493 13.993 1.00 0.00 H new ATOM 232 N LEU A 15 107.757 6.096 13.771 1.00 0.00 N ATOM 233 CA LEU A 15 108.814 6.444 14.772 1.00 0.00 C ATOM 234 C LEU A 15 108.471 5.873 16.152 1.00 0.00 C ATOM 235 O LEU A 15 107.382 5.379 16.379 1.00 0.00 O ATOM 236 CB LEU A 15 108.838 7.974 14.812 1.00 0.00 C ATOM 237 CG LEU A 15 109.349 8.517 13.476 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.110 10.027 13.414 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.849 8.236 13.350 1.00 0.00 C ATOM 0 H LEU A 15 106.973 6.747 13.726 1.00 0.00 H new ATOM 0 HA LEU A 15 109.783 6.026 14.499 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.838 8.358 15.013 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.480 8.316 15.624 1.00 0.00 H new ATOM 0 HG LEU A 15 108.817 8.029 12.660 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.474 10.414 12.462 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.043 10.230 13.504 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.643 10.514 14.231 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.213 8.623 12.398 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.380 8.724 14.167 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.023 7.161 13.395 1.00 0.00 H new ATOM 251 N ASN A 16 109.405 5.941 17.074 1.00 0.00 N ATOM 252 CA ASN A 16 109.186 5.374 18.451 1.00 0.00 C ATOM 253 C ASN A 16 107.952 5.995 19.129 1.00 0.00 C ATOM 254 O ASN A 16 107.387 5.420 20.042 1.00 0.00 O ATOM 255 CB ASN A 16 110.461 5.714 19.243 1.00 0.00 C ATOM 256 CG ASN A 16 110.695 7.231 19.264 1.00 0.00 C ATOM 257 OD1 ASN A 16 109.849 7.982 19.709 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.813 7.714 18.798 1.00 0.00 N ATOM 0 H ASN A 16 110.320 6.369 16.932 1.00 0.00 H new ATOM 0 HA ASN A 16 109.002 4.301 18.408 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.373 5.340 20.263 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.319 5.214 18.793 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.977 8.721 18.807 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.524 7.085 18.424 1.00 0.00 H new ATOM 265 N ASN A 17 107.536 7.158 18.688 1.00 0.00 N ATOM 266 CA ASN A 17 106.368 7.842 19.331 1.00 0.00 C ATOM 267 C ASN A 17 105.051 7.459 18.629 1.00 0.00 C ATOM 268 O ASN A 17 104.073 8.178 18.712 1.00 0.00 O ATOM 269 CB ASN A 17 106.652 9.348 19.190 1.00 0.00 C ATOM 270 CG ASN A 17 106.707 9.764 17.710 1.00 0.00 C ATOM 271 OD1 ASN A 17 106.621 8.934 16.824 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.847 11.025 17.407 1.00 0.00 N ATOM 0 H ASN A 17 107.956 7.665 17.909 1.00 0.00 H new ATOM 0 HA ASN A 17 106.251 7.550 20.375 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.876 9.917 19.703 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.598 9.590 19.675 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.884 11.314 16.429 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.919 11.723 18.148 1.00 0.00 H new ATOM 279 N ASP A 18 105.023 6.335 17.935 1.00 0.00 N ATOM 280 CA ASP A 18 103.752 5.833 17.303 1.00 0.00 C ATOM 281 C ASP A 18 103.191 6.867 16.316 1.00 0.00 C ATOM 282 O ASP A 18 101.997 6.927 16.087 1.00 0.00 O ATOM 283 CB ASP A 18 102.762 5.594 18.456 1.00 0.00 C ATOM 284 CG ASP A 18 103.305 4.508 19.390 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.837 3.531 18.887 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.179 4.672 20.592 1.00 0.00 O ATOM 0 H ASP A 18 105.836 5.740 17.779 1.00 0.00 H new ATOM 0 HA ASP A 18 103.929 4.918 16.737 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.606 6.519 19.011 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.793 5.293 18.059 1.00 0.00 H new ATOM 291 N SER A 19 104.045 7.681 15.732 1.00 0.00 N ATOM 292 CA SER A 19 103.590 8.605 14.651 1.00 0.00 C ATOM 293 C SER A 19 104.143 8.134 13.304 1.00 0.00 C ATOM 294 O SER A 19 105.238 7.608 13.226 1.00 0.00 O ATOM 295 CB SER A 19 104.170 9.968 15.023 1.00 0.00 C ATOM 296 OG SER A 19 103.699 10.344 16.310 1.00 0.00 O ATOM 0 H SER A 19 105.037 7.741 15.961 1.00 0.00 H new ATOM 0 HA SER A 19 102.504 8.640 14.560 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.259 9.926 15.020 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.878 10.714 14.284 1.00 0.00 H new ATOM 0 HG SER A 19 104.071 11.218 16.552 1.00 0.00 H new ATOM 302 N LYS A 20 103.393 8.319 12.244 1.00 0.00 N ATOM 303 CA LYS A 20 103.845 7.830 10.906 1.00 0.00 C ATOM 304 C LYS A 20 104.213 9.009 10.001 1.00 0.00 C ATOM 305 O LYS A 20 103.547 10.027 9.994 1.00 0.00 O ATOM 306 CB LYS A 20 102.636 7.089 10.333 1.00 0.00 C ATOM 307 CG LYS A 20 102.433 5.777 11.090 1.00 0.00 C ATOM 308 CD LYS A 20 101.241 5.022 10.497 1.00 0.00 C ATOM 309 CE LYS A 20 100.971 3.763 11.324 1.00 0.00 C ATOM 310 NZ LYS A 20 99.549 3.420 11.049 1.00 0.00 N ATOM 0 H LYS A 20 102.487 8.788 12.249 1.00 0.00 H new ATOM 0 HA LYS A 20 104.728 7.195 10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.744 7.710 10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.789 6.889 9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.333 5.165 11.025 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.260 5.978 12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.359 5.662 10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.447 4.752 9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.636 2.950 11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.135 3.946 12.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.289 2.566 11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.939 4.210 11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.425 3.245 10.031 1.00 0.00 H new ATOM 324 N ALA A 21 105.271 8.871 9.240 1.00 0.00 N ATOM 325 CA ALA A 21 105.658 9.951 8.279 1.00 0.00 C ATOM 326 C ALA A 21 106.434 9.356 7.100 1.00 0.00 C ATOM 327 O ALA A 21 107.283 8.504 7.276 1.00 0.00 O ATOM 328 CB ALA A 21 106.546 10.901 9.084 1.00 0.00 C ATOM 0 H ALA A 21 105.884 8.056 9.243 1.00 0.00 H new ATOM 0 HA ALA A 21 104.791 10.463 7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 21 106.872 11.723 8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 21 105.982 11.298 9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.418 10.360 9.452 1.00 0.00 H new ATOM 334 N ARG A 22 106.147 9.803 5.899 1.00 0.00 N ATOM 335 CA ARG A 22 106.851 9.257 4.696 1.00 0.00 C ATOM 336 C ARG A 22 107.504 10.392 3.906 1.00 0.00 C ATOM 337 O ARG A 22 107.121 11.540 4.030 1.00 0.00 O ATOM 338 CB ARG A 22 105.764 8.557 3.863 1.00 0.00 C ATOM 339 CG ARG A 22 104.671 9.556 3.452 1.00 0.00 C ATOM 340 CD ARG A 22 103.659 8.859 2.538 1.00 0.00 C ATOM 341 NE ARG A 22 102.907 7.911 3.422 1.00 0.00 N ATOM 342 CZ ARG A 22 101.764 7.376 3.041 1.00 0.00 C ATOM 343 NH1 ARG A 22 101.232 7.645 1.869 1.00 0.00 N ATOM 344 NH2 ARG A 22 101.144 6.557 3.847 1.00 0.00 N ATOM 0 H ARG A 22 105.454 10.524 5.701 1.00 0.00 H new ATOM 0 HA ARG A 22 107.648 8.564 4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 22 106.210 8.111 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.323 7.744 4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.169 9.946 4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 22 105.116 10.407 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 22 102.986 9.581 2.075 1.00 0.00 H new ATOM 0 HD3 ARG A 22 104.161 8.327 1.730 1.00 0.00 H new ATOM 0 HE ARG A 22 103.288 7.675 4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.705 8.282 1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.346 7.216 1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 22 101.545 6.338 4.759 1.00 0.00 H new ATOM 0 HH22 ARG A 22 100.259 6.136 3.565 1.00 0.00 H new ATOM 358 N GLY A 23 108.489 10.075 3.102 1.00 0.00 N ATOM 359 CA GLY A 23 109.197 11.137 2.328 1.00 0.00 C ATOM 360 C GLY A 23 110.149 10.478 1.331 1.00 0.00 C ATOM 361 O GLY A 23 110.360 9.280 1.367 1.00 0.00 O ATOM 0 H GLY A 23 108.832 9.127 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.476 11.763 1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.752 11.788 3.004 1.00 0.00 H new ATOM 365 N VAL A 24 110.726 11.251 0.444 1.00 0.00 N ATOM 366 CA VAL A 24 111.740 10.685 -0.500 1.00 0.00 C ATOM 367 C VAL A 24 113.140 10.903 0.077 1.00 0.00 C ATOM 368 O VAL A 24 113.541 12.021 0.337 1.00 0.00 O ATOM 369 CB VAL A 24 111.583 11.469 -1.814 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.433 10.803 -2.900 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.107 11.491 -2.260 1.00 0.00 C ATOM 0 H VAL A 24 110.539 12.248 0.333 1.00 0.00 H new ATOM 0 HA VAL A 24 111.599 9.616 -0.659 1.00 0.00 H new ATOM 0 HB VAL A 24 111.914 12.495 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.326 11.354 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.479 10.805 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.099 9.776 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 24 110.017 12.050 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.758 10.470 -2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.501 11.968 -1.490 1.00 0.00 H new ATOM 381 N ILE A 25 113.887 9.845 0.273 1.00 0.00 N ATOM 382 CA ILE A 25 115.198 9.966 1.001 1.00 0.00 C ATOM 383 C ILE A 25 116.164 10.867 0.216 1.00 0.00 C ATOM 384 O ILE A 25 116.217 10.826 -0.998 1.00 0.00 O ATOM 385 CB ILE A 25 115.744 8.529 1.108 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.782 7.677 1.944 1.00 0.00 C ATOM 387 CG2 ILE A 25 117.123 8.531 1.781 1.00 0.00 C ATOM 388 CD1 ILE A 25 115.126 6.197 1.769 1.00 0.00 C ATOM 0 H ILE A 25 113.650 8.903 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 25 115.079 10.420 1.985 1.00 0.00 H new ATOM 0 HB ILE A 25 115.835 8.114 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.853 7.956 2.995 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.753 7.861 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.496 7.509 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.815 9.131 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.039 8.954 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.442 5.592 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.033 5.924 0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.149 6.020 2.101 1.00 0.00 H new ATOM 400 N THR A 26 116.923 11.680 0.913 1.00 0.00 N ATOM 401 CA THR A 26 117.889 12.592 0.228 1.00 0.00 C ATOM 402 C THR A 26 119.327 12.333 0.695 1.00 0.00 C ATOM 403 O THR A 26 120.263 12.602 -0.036 1.00 0.00 O ATOM 404 CB THR A 26 117.449 14.010 0.601 1.00 0.00 C ATOM 405 OG1 THR A 26 117.180 14.078 1.992 1.00 0.00 O ATOM 406 CG2 THR A 26 116.190 14.381 -0.185 1.00 0.00 C ATOM 0 H THR A 26 116.913 11.750 1.931 1.00 0.00 H new ATOM 0 HA THR A 26 117.885 12.434 -0.851 1.00 0.00 H new ATOM 0 HB THR A 26 118.247 14.710 0.355 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.251 14.357 2.132 1.00 0.00 H new ATOM 0 HG21 THR A 26 115.879 15.391 0.082 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.402 14.337 -1.253 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.391 13.679 0.055 1.00 0.00 H new ATOM 414 N ASN A 27 119.528 11.817 1.896 1.00 0.00 N ATOM 415 CA ASN A 27 120.934 11.562 2.353 1.00 0.00 C ATOM 416 C ASN A 27 120.979 10.600 3.547 1.00 0.00 C ATOM 417 O ASN A 27 120.004 10.404 4.242 1.00 0.00 O ATOM 418 CB ASN A 27 121.478 12.935 2.759 1.00 0.00 C ATOM 419 CG ASN A 27 122.991 12.981 2.527 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.489 12.418 1.572 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.747 13.631 3.368 1.00 0.00 N ATOM 0 H ASN A 27 118.796 11.569 2.561 1.00 0.00 H new ATOM 0 HA ASN A 27 121.524 11.093 1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.988 13.717 2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.255 13.129 3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.756 13.667 3.224 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.329 14.104 4.169 1.00 0.00 H new ATOM 428 N PHE A 28 122.127 10.000 3.770 1.00 0.00 N ATOM 429 CA PHE A 28 122.368 9.218 5.025 1.00 0.00 C ATOM 430 C PHE A 28 123.855 9.275 5.384 1.00 0.00 C ATOM 431 O PHE A 28 124.710 8.970 4.574 1.00 0.00 O ATOM 432 CB PHE A 28 121.943 7.781 4.710 1.00 0.00 C ATOM 433 CG PHE A 28 122.112 6.830 5.874 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.207 6.872 6.963 1.00 0.00 C ATOM 435 CD2 PHE A 28 123.179 5.897 5.876 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.369 5.982 8.052 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.339 5.007 6.966 1.00 0.00 C ATOM 438 CZ PHE A 28 122.435 5.049 8.054 1.00 0.00 C ATOM 0 H PHE A 28 122.917 10.020 3.125 1.00 0.00 H new ATOM 0 HA PHE A 28 121.810 9.615 5.873 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.898 7.780 4.400 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.527 7.415 3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.394 7.583 6.962 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.870 5.865 5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.679 6.014 8.882 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.152 4.296 6.967 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.558 4.370 8.885 1.00 0.00 H new ATOM 448 N ASP A 29 124.164 9.664 6.597 1.00 0.00 N ATOM 449 CA ASP A 29 125.592 9.775 7.017 1.00 0.00 C ATOM 450 C ASP A 29 125.988 8.514 7.779 1.00 0.00 C ATOM 451 O ASP A 29 125.321 8.127 8.713 1.00 0.00 O ATOM 452 CB ASP A 29 125.643 10.999 7.933 1.00 0.00 C ATOM 453 CG ASP A 29 127.100 11.324 8.275 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.736 12.001 7.485 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.553 10.889 9.322 1.00 0.00 O ATOM 0 H ASP A 29 123.484 9.910 7.316 1.00 0.00 H new ATOM 0 HA ASP A 29 126.276 9.879 6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.175 11.853 7.443 1.00 0.00 H new ATOM 0 HB3 ASP A 29 125.079 10.807 8.846 1.00 0.00 H new ATOM 460 N SER A 30 127.061 7.873 7.390 1.00 0.00 N ATOM 461 CA SER A 30 127.428 6.567 8.027 1.00 0.00 C ATOM 462 C SER A 30 127.794 6.766 9.502 1.00 0.00 C ATOM 463 O SER A 30 127.364 6.018 10.360 1.00 0.00 O ATOM 464 CB SER A 30 128.637 6.055 7.243 1.00 0.00 C ATOM 465 OG SER A 30 129.748 6.909 7.482 1.00 0.00 O ATOM 0 H SER A 30 127.698 8.194 6.661 1.00 0.00 H new ATOM 0 HA SER A 30 126.598 5.862 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.876 5.035 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.408 6.026 6.178 1.00 0.00 H new ATOM 0 HG SER A 30 130.525 6.582 6.982 1.00 0.00 H new ATOM 471 N SER A 31 128.578 7.774 9.803 1.00 0.00 N ATOM 472 CA SER A 31 129.098 7.944 11.202 1.00 0.00 C ATOM 473 C SER A 31 127.945 8.074 12.205 1.00 0.00 C ATOM 474 O SER A 31 127.931 7.417 13.230 1.00 0.00 O ATOM 475 CB SER A 31 129.925 9.231 11.175 1.00 0.00 C ATOM 476 OG SER A 31 130.607 9.377 12.413 1.00 0.00 O ATOM 0 H SER A 31 128.882 8.488 9.141 1.00 0.00 H new ATOM 0 HA SER A 31 129.689 7.083 11.515 1.00 0.00 H new ATOM 0 HB2 SER A 31 130.641 9.200 10.354 1.00 0.00 H new ATOM 0 HB3 SER A 31 129.277 10.090 11.000 1.00 0.00 H new ATOM 0 HG SER A 31 131.139 10.200 12.398 1.00 0.00 H new ATOM 482 N ASN A 32 126.983 8.915 11.915 1.00 0.00 N ATOM 483 CA ASN A 32 125.837 9.111 12.860 1.00 0.00 C ATOM 484 C ASN A 32 124.547 8.462 12.329 1.00 0.00 C ATOM 485 O ASN A 32 123.529 8.483 12.997 1.00 0.00 O ATOM 486 CB ASN A 32 125.666 10.629 12.954 1.00 0.00 C ATOM 487 CG ASN A 32 126.883 11.241 13.653 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.412 10.670 14.587 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.353 12.384 13.237 1.00 0.00 N ATOM 0 H ASN A 32 126.941 9.475 11.064 1.00 0.00 H new ATOM 0 HA ASN A 32 126.033 8.647 13.827 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.554 11.055 11.957 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.758 10.869 13.507 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.164 12.799 13.695 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.909 12.863 12.453 1.00 0.00 H new ATOM 496 N SER A 33 124.571 7.884 11.141 1.00 0.00 N ATOM 497 CA SER A 33 123.312 7.349 10.508 1.00 0.00 C ATOM 498 C SER A 33 122.187 8.397 10.553 1.00 0.00 C ATOM 499 O SER A 33 121.191 8.229 11.237 1.00 0.00 O ATOM 500 CB SER A 33 122.942 6.107 11.324 1.00 0.00 C ATOM 501 OG SER A 33 123.657 4.985 10.820 1.00 0.00 O ATOM 0 H SER A 33 125.414 7.760 10.581 1.00 0.00 H new ATOM 0 HA SER A 33 123.460 7.108 9.455 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.182 6.264 12.376 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.869 5.925 11.266 1.00 0.00 H new ATOM 0 HG SER A 33 123.722 5.050 9.844 1.00 0.00 H new ATOM 507 N ILE A 34 122.344 9.476 9.824 1.00 0.00 N ATOM 508 CA ILE A 34 121.338 10.586 9.890 1.00 0.00 C ATOM 509 C ILE A 34 120.668 10.738 8.524 1.00 0.00 C ATOM 510 O ILE A 34 121.332 10.906 7.521 1.00 0.00 O ATOM 511 CB ILE A 34 122.139 11.852 10.246 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.957 11.632 11.540 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.182 13.036 10.436 1.00 0.00 C ATOM 514 CD1 ILE A 34 122.039 11.341 12.741 1.00 0.00 C ATOM 0 H ILE A 34 123.124 9.637 9.187 1.00 0.00 H new ATOM 0 HA ILE A 34 120.555 10.397 10.624 1.00 0.00 H new ATOM 0 HB ILE A 34 122.828 12.068 9.429 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.648 10.801 11.399 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.560 12.517 11.746 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.754 13.929 10.688 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.628 13.208 9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.483 12.813 11.242 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.645 11.191 13.634 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.365 12.184 12.897 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.456 10.442 12.544 1.00 0.00 H new ATOM 526 N LEU A 35 119.362 10.691 8.482 1.00 0.00 N ATOM 527 CA LEU A 35 118.652 10.559 7.174 1.00 0.00 C ATOM 528 C LEU A 35 117.807 11.799 6.895 1.00 0.00 C ATOM 529 O LEU A 35 116.931 12.149 7.663 1.00 0.00 O ATOM 530 CB LEU A 35 117.759 9.329 7.340 1.00 0.00 C ATOM 531 CG LEU A 35 117.120 8.966 5.996 1.00 0.00 C ATOM 532 CD1 LEU A 35 118.066 8.062 5.203 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.801 8.229 6.243 1.00 0.00 C ATOM 0 H LEU A 35 118.754 10.738 9.300 1.00 0.00 H new ATOM 0 HA LEU A 35 119.344 10.458 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.346 8.490 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.984 9.528 8.080 1.00 0.00 H new ATOM 0 HG LEU A 35 116.930 9.877 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.608 7.806 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 35 119.006 8.585 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.258 7.151 5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.345 7.970 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.993 7.319 6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 35 115.125 8.872 6.806 1.00 0.00 H new ATOM 545 N GLN A 36 118.068 12.460 5.796 1.00 0.00 N ATOM 546 CA GLN A 36 117.184 13.578 5.364 1.00 0.00 C ATOM 547 C GLN A 36 116.092 13.034 4.448 1.00 0.00 C ATOM 548 O GLN A 36 116.368 12.268 3.541 1.00 0.00 O ATOM 549 CB GLN A 36 118.096 14.537 4.600 1.00 0.00 C ATOM 550 CG GLN A 36 119.075 15.195 5.574 1.00 0.00 C ATOM 551 CD GLN A 36 120.007 16.137 4.808 1.00 0.00 C ATOM 552 OE1 GLN A 36 120.409 15.846 3.698 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.372 17.264 5.358 1.00 0.00 N ATOM 0 H GLN A 36 118.858 12.271 5.179 1.00 0.00 H new ATOM 0 HA GLN A 36 116.693 14.074 6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.643 13.997 3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.500 15.298 4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.528 15.749 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.657 14.432 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 36 120.036 17.510 6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 36 120.993 17.899 4.856 1.00 0.00 H new ATOM 562 N LEU A 37 114.860 13.416 4.680 1.00 0.00 N ATOM 563 CA LEU A 37 113.756 13.000 3.762 1.00 0.00 C ATOM 564 C LEU A 37 113.118 14.231 3.116 1.00 0.00 C ATOM 565 O LEU A 37 112.656 15.128 3.795 1.00 0.00 O ATOM 566 CB LEU A 37 112.741 12.292 4.661 1.00 0.00 C ATOM 567 CG LEU A 37 113.182 10.848 4.901 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.450 10.288 6.122 1.00 0.00 C ATOM 569 CD2 LEU A 37 112.837 10.002 3.672 1.00 0.00 C ATOM 0 H LEU A 37 114.572 13.998 5.466 1.00 0.00 H new ATOM 0 HA LEU A 37 114.110 12.358 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.654 12.818 5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.755 12.309 4.196 1.00 0.00 H new ATOM 0 HG LEU A 37 114.258 10.820 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.764 9.258 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.689 10.891 6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.375 10.315 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.150 8.972 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 37 111.761 10.031 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.354 10.401 2.799 1.00 0.00 H new ATOM 581 N ARG A 38 113.093 14.273 1.808 1.00 0.00 N ATOM 582 CA ARG A 38 112.363 15.370 1.100 1.00 0.00 C ATOM 583 C ARG A 38 111.034 14.846 0.544 1.00 0.00 C ATOM 584 O ARG A 38 111.008 14.140 -0.446 1.00 0.00 O ATOM 585 CB ARG A 38 113.293 15.783 -0.043 1.00 0.00 C ATOM 586 CG ARG A 38 112.743 17.039 -0.724 1.00 0.00 C ATOM 587 CD ARG A 38 113.655 17.428 -1.891 1.00 0.00 C ATOM 588 NE ARG A 38 113.084 18.706 -2.421 1.00 0.00 N ATOM 589 CZ ARG A 38 113.258 19.854 -1.794 1.00 0.00 C ATOM 590 NH1 ARG A 38 113.928 19.930 -0.667 1.00 0.00 N ATOM 591 NH2 ARG A 38 112.748 20.942 -2.304 1.00 0.00 N ATOM 0 H ARG A 38 113.548 13.594 1.198 1.00 0.00 H new ATOM 0 HA ARG A 38 112.126 16.205 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.295 15.974 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.378 14.972 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.731 16.856 -1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 38 112.683 17.858 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.684 17.564 -1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.667 16.653 -2.658 1.00 0.00 H new ATOM 0 HE ARG A 38 112.547 18.689 -3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.330 19.088 -0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 38 114.047 20.831 -0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.222 20.898 -3.177 1.00 0.00 H new ATOM 0 HH22 ARG A 38 112.875 21.836 -1.829 1.00 0.00 H new ATOM 605 N LEU A 39 109.937 15.188 1.171 1.00 0.00 N ATOM 606 CA LEU A 39 108.613 14.649 0.724 1.00 0.00 C ATOM 607 C LEU A 39 108.041 15.499 -0.424 1.00 0.00 C ATOM 608 O LEU A 39 108.368 16.665 -0.573 1.00 0.00 O ATOM 609 CB LEU A 39 107.724 14.711 1.977 1.00 0.00 C ATOM 610 CG LEU A 39 106.288 14.236 1.682 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.274 12.790 1.167 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.484 14.299 2.979 1.00 0.00 C ATOM 0 H LEU A 39 109.899 15.817 1.973 1.00 0.00 H new ATOM 0 HA LEU A 39 108.683 13.634 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.158 14.092 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.699 15.733 2.355 1.00 0.00 H new ATOM 0 HG LEU A 39 105.857 14.880 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.247 12.485 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.856 12.726 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.709 12.132 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.463 13.966 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.945 13.651 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.469 15.324 3.348 1.00 0.00 H new ATOM 624 N ALA A 40 107.184 14.910 -1.229 1.00 0.00 N ATOM 625 CA ALA A 40 106.728 15.575 -2.496 1.00 0.00 C ATOM 626 C ALA A 40 105.853 16.811 -2.222 1.00 0.00 C ATOM 627 O ALA A 40 105.446 17.492 -3.146 1.00 0.00 O ATOM 628 CB ALA A 40 105.915 14.511 -3.237 1.00 0.00 C ATOM 0 H ALA A 40 106.778 13.990 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 40 107.581 15.934 -3.072 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.547 14.923 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.548 13.648 -3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.071 14.203 -2.620 1.00 0.00 H new ATOM 634 N ASN A 41 105.556 17.111 -0.976 1.00 0.00 N ATOM 635 CA ASN A 41 104.811 18.371 -0.660 1.00 0.00 C ATOM 636 C ASN A 41 105.780 19.558 -0.497 1.00 0.00 C ATOM 637 O ASN A 41 105.493 20.494 0.224 1.00 0.00 O ATOM 638 CB ASN A 41 104.092 18.088 0.662 1.00 0.00 C ATOM 639 CG ASN A 41 103.000 17.040 0.436 1.00 0.00 C ATOM 640 OD1 ASN A 41 103.289 15.909 0.099 1.00 0.00 O ATOM 641 ND2 ASN A 41 101.750 17.372 0.606 1.00 0.00 N ATOM 0 H ASN A 41 105.798 16.538 -0.168 1.00 0.00 H new ATOM 0 HA ASN A 41 104.119 18.640 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.804 17.732 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.654 19.006 1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 41 101.014 16.682 0.456 1.00 0.00 H new ATOM 0 HD22 ASN A 41 101.509 18.322 0.889 1.00 0.00 H new ATOM 648 N ASP A 42 106.929 19.528 -1.160 1.00 0.00 N ATOM 649 CA ASP A 42 107.880 20.694 -1.129 1.00 0.00 C ATOM 650 C ASP A 42 108.423 20.903 0.290 1.00 0.00 C ATOM 651 O ASP A 42 108.757 22.011 0.669 1.00 0.00 O ATOM 652 CB ASP A 42 107.070 21.921 -1.578 1.00 0.00 C ATOM 653 CG ASP A 42 108.022 23.001 -2.099 1.00 0.00 C ATOM 654 OD1 ASP A 42 108.928 22.657 -2.840 1.00 0.00 O ATOM 655 OD2 ASP A 42 107.829 24.152 -1.746 1.00 0.00 O ATOM 0 H ASP A 42 107.245 18.738 -1.723 1.00 0.00 H new ATOM 0 HA ASP A 42 108.737 20.524 -1.781 1.00 0.00 H new ATOM 0 HB2 ASP A 42 106.363 21.638 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 42 106.485 22.309 -0.744 1.00 0.00 H new ATOM 660 N SER A 43 108.515 19.850 1.078 1.00 0.00 N ATOM 661 CA SER A 43 109.066 19.992 2.460 1.00 0.00 C ATOM 662 C SER A 43 110.218 19.007 2.671 1.00 0.00 C ATOM 663 O SER A 43 110.147 17.862 2.265 1.00 0.00 O ATOM 664 CB SER A 43 107.899 19.662 3.388 1.00 0.00 C ATOM 665 OG SER A 43 106.868 20.624 3.204 1.00 0.00 O ATOM 0 H SER A 43 108.232 18.905 0.820 1.00 0.00 H new ATOM 0 HA SER A 43 109.463 20.990 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 43 107.522 18.662 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.233 19.663 4.426 1.00 0.00 H new ATOM 0 HG SER A 43 106.116 20.415 3.797 1.00 0.00 H new ATOM 671 N THR A 44 111.276 19.448 3.307 1.00 0.00 N ATOM 672 CA THR A 44 112.429 18.539 3.590 1.00 0.00 C ATOM 673 C THR A 44 112.790 18.601 5.078 1.00 0.00 C ATOM 674 O THR A 44 112.659 19.633 5.710 1.00 0.00 O ATOM 675 CB THR A 44 113.584 19.051 2.710 1.00 0.00 C ATOM 676 OG1 THR A 44 114.726 18.227 2.908 1.00 0.00 O ATOM 677 CG2 THR A 44 113.932 20.502 3.068 1.00 0.00 C ATOM 0 H THR A 44 111.390 20.404 3.644 1.00 0.00 H new ATOM 0 HA THR A 44 112.201 17.497 3.367 1.00 0.00 H new ATOM 0 HB THR A 44 113.275 19.014 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 44 115.463 18.549 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 44 114.750 20.847 2.436 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.059 21.135 2.909 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.234 20.556 4.114 1.00 0.00 H new ATOM 685 N LYS A 45 113.242 17.504 5.635 1.00 0.00 N ATOM 686 CA LYS A 45 113.567 17.482 7.096 1.00 0.00 C ATOM 687 C LYS A 45 114.690 16.484 7.384 1.00 0.00 C ATOM 688 O LYS A 45 114.752 15.419 6.797 1.00 0.00 O ATOM 689 CB LYS A 45 112.275 17.049 7.787 1.00 0.00 C ATOM 690 CG LYS A 45 111.293 18.222 7.816 1.00 0.00 C ATOM 691 CD LYS A 45 110.111 17.880 8.726 1.00 0.00 C ATOM 692 CE LYS A 45 109.228 16.829 8.047 1.00 0.00 C ATOM 693 NZ LYS A 45 108.293 16.368 9.112 1.00 0.00 N ATOM 0 H LYS A 45 113.400 16.625 5.143 1.00 0.00 H new ATOM 0 HA LYS A 45 113.913 18.453 7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.833 16.204 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 45 112.488 16.714 8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 45 111.794 19.120 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 45 110.938 18.438 6.808 1.00 0.00 H new ATOM 0 HD2 LYS A 45 110.473 17.503 9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 45 109.529 18.777 8.936 1.00 0.00 H new ATOM 0 HE2 LYS A 45 108.686 17.254 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.824 16.003 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 107.654 15.645 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.837 15.962 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 107.734 17.175 9.457 1.00 0.00 H new ATOM 707 N SER A 46 115.575 16.828 8.288 1.00 0.00 N ATOM 708 CA SER A 46 116.664 15.883 8.683 1.00 0.00 C ATOM 709 C SER A 46 116.260 15.112 9.942 1.00 0.00 C ATOM 710 O SER A 46 115.977 15.697 10.971 1.00 0.00 O ATOM 711 CB SER A 46 117.876 16.771 8.964 1.00 0.00 C ATOM 712 OG SER A 46 117.622 17.561 10.119 1.00 0.00 O ATOM 0 H SER A 46 115.589 17.726 8.771 1.00 0.00 H new ATOM 0 HA SER A 46 116.872 15.144 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.763 16.157 9.117 1.00 0.00 H new ATOM 0 HB3 SER A 46 118.077 17.414 8.107 1.00 0.00 H new ATOM 0 HG SER A 46 117.153 17.020 10.788 1.00 0.00 H new ATOM 718 N ILE A 47 116.231 13.803 9.865 1.00 0.00 N ATOM 719 CA ILE A 47 115.841 12.981 11.051 1.00 0.00 C ATOM 720 C ILE A 47 116.896 11.895 11.285 1.00 0.00 C ATOM 721 O ILE A 47 117.347 11.251 10.356 1.00 0.00 O ATOM 722 CB ILE A 47 114.479 12.360 10.695 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.455 13.472 10.426 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.982 11.495 11.860 1.00 0.00 C ATOM 725 CD1 ILE A 47 112.195 12.868 9.798 1.00 0.00 C ATOM 0 H ILE A 47 116.462 13.268 9.028 1.00 0.00 H new ATOM 0 HA ILE A 47 115.774 13.571 11.965 1.00 0.00 H new ATOM 0 HB ILE A 47 114.595 11.744 9.803 1.00 0.00 H new ATOM 0 HG12 ILE A 47 113.202 13.980 11.356 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.883 14.221 9.760 1.00 0.00 H new ATOM 0 HG21 ILE A 47 113.017 11.058 11.603 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.701 10.699 12.055 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.874 12.113 12.752 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.469 13.658 9.607 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.455 12.380 8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.764 12.136 10.480 1.00 0.00 H new ATOM 737 N VAL A 48 117.292 11.691 12.518 1.00 0.00 N ATOM 738 CA VAL A 48 118.316 10.641 12.814 1.00 0.00 C ATOM 739 C VAL A 48 117.627 9.269 12.889 1.00 0.00 C ATOM 740 O VAL A 48 116.664 9.090 13.607 1.00 0.00 O ATOM 741 CB VAL A 48 118.925 11.043 14.172 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.997 10.026 14.590 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.552 12.445 14.070 1.00 0.00 C ATOM 0 H VAL A 48 116.951 12.205 13.330 1.00 0.00 H new ATOM 0 HA VAL A 48 119.088 10.568 12.048 1.00 0.00 H new ATOM 0 HB VAL A 48 118.135 11.057 14.923 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.421 10.319 15.550 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.546 9.038 14.679 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.786 9.999 13.838 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.980 12.723 15.033 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.336 12.439 13.312 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.785 13.167 13.792 1.00 0.00 H new ATOM 753 N THR A 49 118.123 8.303 12.152 1.00 0.00 N ATOM 754 CA THR A 49 117.390 6.999 11.987 1.00 0.00 C ATOM 755 C THR A 49 117.145 6.307 13.331 1.00 0.00 C ATOM 756 O THR A 49 116.227 5.521 13.469 1.00 0.00 O ATOM 757 CB THR A 49 118.303 6.135 11.113 1.00 0.00 C ATOM 758 OG1 THR A 49 119.602 6.089 11.686 1.00 0.00 O ATOM 759 CG2 THR A 49 118.382 6.733 9.707 1.00 0.00 C ATOM 0 H THR A 49 119.011 8.359 11.653 1.00 0.00 H new ATOM 0 HA THR A 49 116.407 7.158 11.544 1.00 0.00 H new ATOM 0 HB THR A 49 117.898 5.125 11.053 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.137 6.836 11.345 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.032 6.117 9.086 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.385 6.765 9.268 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.786 7.744 9.764 1.00 0.00 H new ATOM 767 N LYS A 50 117.957 6.589 14.317 1.00 0.00 N ATOM 768 CA LYS A 50 117.815 5.899 15.645 1.00 0.00 C ATOM 769 C LYS A 50 116.404 6.092 16.220 1.00 0.00 C ATOM 770 O LYS A 50 115.953 5.307 17.034 1.00 0.00 O ATOM 771 CB LYS A 50 118.864 6.551 16.557 1.00 0.00 C ATOM 772 CG LYS A 50 118.938 5.802 17.894 1.00 0.00 C ATOM 773 CD LYS A 50 119.711 6.647 18.907 1.00 0.00 C ATOM 774 CE LYS A 50 119.937 5.833 20.184 1.00 0.00 C ATOM 775 NZ LYS A 50 121.134 4.994 19.898 1.00 0.00 N ATOM 0 H LYS A 50 118.716 7.268 14.264 1.00 0.00 H new ATOM 0 HA LYS A 50 117.965 4.823 15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 50 119.839 6.539 16.070 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.607 7.596 16.730 1.00 0.00 H new ATOM 0 HG2 LYS A 50 117.934 5.598 18.265 1.00 0.00 H new ATOM 0 HG3 LYS A 50 119.429 4.839 17.757 1.00 0.00 H new ATOM 0 HD2 LYS A 50 120.668 6.955 18.485 1.00 0.00 H new ATOM 0 HD3 LYS A 50 119.156 7.557 19.136 1.00 0.00 H new ATOM 0 HE2 LYS A 50 120.107 6.483 21.042 1.00 0.00 H new ATOM 0 HE3 LYS A 50 119.069 5.216 20.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 120.980 4.033 20.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 121.291 4.952 18.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 121.968 5.410 20.359 1.00 0.00 H new ATOM 789 N ASP A 51 115.709 7.124 15.806 1.00 0.00 N ATOM 790 CA ASP A 51 114.296 7.306 16.274 1.00 0.00 C ATOM 791 C ASP A 51 113.316 6.468 15.430 1.00 0.00 C ATOM 792 O ASP A 51 112.120 6.501 15.657 1.00 0.00 O ATOM 793 CB ASP A 51 113.998 8.812 16.143 1.00 0.00 C ATOM 794 CG ASP A 51 114.125 9.290 14.684 1.00 0.00 C ATOM 795 OD1 ASP A 51 114.215 8.457 13.795 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.130 10.493 14.484 1.00 0.00 O ATOM 0 H ASP A 51 116.054 7.843 15.170 1.00 0.00 H new ATOM 0 HA ASP A 51 114.173 6.966 17.302 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.992 9.017 16.508 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.686 9.376 16.773 1.00 0.00 H new ATOM 801 N ILE A 52 113.807 5.720 14.461 1.00 0.00 N ATOM 802 CA ILE A 52 112.896 4.851 13.646 1.00 0.00 C ATOM 803 C ILE A 52 112.492 3.615 14.454 1.00 0.00 C ATOM 804 O ILE A 52 113.329 2.897 14.969 1.00 0.00 O ATOM 805 CB ILE A 52 113.709 4.450 12.401 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.066 5.703 11.592 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.882 3.504 11.518 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.047 5.334 10.475 1.00 0.00 C ATOM 0 H ILE A 52 114.793 5.676 14.203 1.00 0.00 H new ATOM 0 HA ILE A 52 111.976 5.366 13.369 1.00 0.00 H new ATOM 0 HB ILE A 52 114.620 3.946 12.722 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.164 6.142 11.166 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.509 6.455 12.245 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.464 3.225 10.639 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.627 2.608 12.084 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.968 4.007 11.203 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.299 6.227 9.902 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.954 4.915 10.911 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.588 4.597 9.816 1.00 0.00 H new ATOM 820 N LYS A 53 111.210 3.371 14.565 1.00 0.00 N ATOM 821 CA LYS A 53 110.732 2.089 15.163 1.00 0.00 C ATOM 822 C LYS A 53 110.538 1.041 14.061 1.00 0.00 C ATOM 823 O LYS A 53 110.683 -0.144 14.297 1.00 0.00 O ATOM 824 CB LYS A 53 109.397 2.426 15.830 1.00 0.00 C ATOM 825 CG LYS A 53 108.922 1.232 16.662 1.00 0.00 C ATOM 826 CD LYS A 53 107.558 1.547 17.277 1.00 0.00 C ATOM 827 CE LYS A 53 107.166 0.433 18.249 1.00 0.00 C ATOM 828 NZ LYS A 53 105.742 0.704 18.591 1.00 0.00 N ATOM 0 H LYS A 53 110.472 4.008 14.266 1.00 0.00 H new ATOM 0 HA LYS A 53 111.443 1.675 15.878 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.508 3.304 16.466 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.653 2.673 15.073 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.853 0.343 16.035 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.645 1.013 17.448 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.595 2.503 17.799 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.807 1.641 16.493 1.00 0.00 H new ATOM 0 HE2 LYS A 53 107.282 -0.549 17.791 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.795 0.446 19.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 105.401 -0.020 19.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.663 1.643 19.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 105.166 0.678 17.725 1.00 0.00 H new ATOM 842 N ASP A 54 110.216 1.474 12.861 1.00 0.00 N ATOM 843 CA ASP A 54 109.977 0.513 11.734 1.00 0.00 C ATOM 844 C ASP A 54 110.011 1.255 10.393 1.00 0.00 C ATOM 845 O ASP A 54 109.798 2.452 10.333 1.00 0.00 O ATOM 846 CB ASP A 54 108.583 -0.079 11.980 1.00 0.00 C ATOM 847 CG ASP A 54 108.688 -1.342 12.840 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.612 -2.110 12.623 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.843 -1.521 13.700 1.00 0.00 O ATOM 0 H ASP A 54 110.108 2.458 12.614 1.00 0.00 H new ATOM 0 HA ASP A 54 110.741 -0.263 11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.950 0.656 12.477 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.108 -0.317 11.028 1.00 0.00 H new ATOM 854 N LEU A 55 110.276 0.547 9.319 1.00 0.00 N ATOM 855 CA LEU A 55 110.338 1.199 7.973 1.00 0.00 C ATOM 856 C LEU A 55 109.541 0.389 6.945 1.00 0.00 C ATOM 857 O LEU A 55 109.407 -0.816 7.062 1.00 0.00 O ATOM 858 CB LEU A 55 111.822 1.208 7.602 1.00 0.00 C ATOM 859 CG LEU A 55 112.577 2.171 8.518 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.083 1.965 8.344 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.216 3.612 8.150 1.00 0.00 C ATOM 0 H LEU A 55 110.452 -0.458 9.318 1.00 0.00 H new ATOM 0 HA LEU A 55 109.911 2.202 7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.236 0.204 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.945 1.509 6.562 1.00 0.00 H new ATOM 0 HG LEU A 55 112.300 1.979 9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.622 2.651 8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.342 0.939 8.603 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.359 2.158 7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.754 4.300 8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.494 3.803 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.143 3.761 8.272 1.00 0.00 H new ATOM 873 N ARG A 56 109.015 1.049 5.942 1.00 0.00 N ATOM 874 CA ARG A 56 108.321 0.324 4.834 1.00 0.00 C ATOM 875 C ARG A 56 108.409 1.147 3.541 1.00 0.00 C ATOM 876 O ARG A 56 108.225 2.348 3.558 1.00 0.00 O ATOM 877 CB ARG A 56 106.863 0.181 5.303 1.00 0.00 C ATOM 878 CG ARG A 56 106.172 1.558 5.339 1.00 0.00 C ATOM 879 CD ARG A 56 105.192 1.633 6.514 1.00 0.00 C ATOM 880 NE ARG A 56 104.194 0.537 6.286 1.00 0.00 N ATOM 881 CZ ARG A 56 103.419 0.097 7.260 1.00 0.00 C ATOM 882 NH1 ARG A 56 103.479 0.604 8.471 1.00 0.00 N ATOM 883 NH2 ARG A 56 102.570 -0.863 7.013 1.00 0.00 N ATOM 0 H ARG A 56 109.037 2.064 5.844 1.00 0.00 H new ATOM 0 HA ARG A 56 108.767 -0.647 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.322 -0.487 4.632 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.836 -0.272 6.294 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.920 2.345 5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 56 105.641 1.730 4.403 1.00 0.00 H new ATOM 0 HD2 ARG A 56 105.710 1.499 7.464 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.702 2.606 6.553 1.00 0.00 H new ATOM 0 HE ARG A 56 104.112 0.122 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 56 104.136 1.356 8.677 1.00 0.00 H new ATOM 0 HH12 ARG A 56 102.868 0.245 9.205 1.00 0.00 H new ATOM 0 HH21 ARG A 56 102.511 -1.264 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 56 101.965 -1.213 7.756 1.00 0.00 H new ATOM 897 N ILE A 57 108.687 0.514 2.432 1.00 0.00 N ATOM 898 CA ILE A 57 108.701 1.254 1.132 1.00 0.00 C ATOM 899 C ILE A 57 107.276 1.356 0.577 1.00 0.00 C ATOM 900 O ILE A 57 106.546 0.383 0.546 1.00 0.00 O ATOM 901 CB ILE A 57 109.593 0.438 0.184 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.989 0.251 0.798 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.730 1.192 -1.143 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.751 -0.824 0.021 1.00 0.00 C ATOM 0 H ILE A 57 108.905 -0.480 2.368 1.00 0.00 H new ATOM 0 HA ILE A 57 109.080 2.269 1.249 1.00 0.00 H new ATOM 0 HB ILE A 57 109.140 -0.540 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.538 1.192 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.901 -0.037 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 57 110.362 0.620 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.744 1.325 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 57 110.181 2.168 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.741 -0.956 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 57 111.204 -1.766 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.851 -0.518 -1.020 1.00 0.00 H new ATOM 916 N LEU A 58 106.879 2.528 0.142 1.00 0.00 N ATOM 917 CA LEU A 58 105.494 2.704 -0.399 1.00 0.00 C ATOM 918 C LEU A 58 105.442 2.249 -1.867 1.00 0.00 C ATOM 919 O LEU A 58 106.462 2.212 -2.529 1.00 0.00 O ATOM 920 CB LEU A 58 105.197 4.201 -0.291 1.00 0.00 C ATOM 921 CG LEU A 58 105.124 4.604 1.183 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.385 6.106 1.314 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.733 4.279 1.732 1.00 0.00 C ATOM 0 H LEU A 58 107.454 3.370 0.138 1.00 0.00 H new ATOM 0 HA LEU A 58 104.762 2.111 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.974 4.774 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 58 104.255 4.432 -0.789 1.00 0.00 H new ATOM 0 HG LEU A 58 105.876 4.053 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 58 105.333 6.394 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 58 106.375 6.339 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.633 6.657 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.680 4.566 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.981 4.830 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.546 3.209 1.638 1.00 0.00 H new ATOM 1736 N SER B 257 111.091 -4.290 3.285 1.00 0.00 N ATOM 1737 CA SER B 257 111.003 -3.311 4.422 1.00 0.00 C ATOM 1738 C SER B 257 111.886 -3.766 5.591 1.00 0.00 C ATOM 1739 O SER B 257 112.496 -2.963 6.272 1.00 0.00 O ATOM 1740 CB SER B 257 109.529 -3.315 4.841 1.00 0.00 C ATOM 1741 OG SER B 257 109.233 -4.519 5.538 1.00 0.00 O ATOM 0 HA SER B 257 111.345 -2.318 4.131 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.319 -2.454 5.476 1.00 0.00 H new ATOM 0 HB3 SER B 257 108.891 -3.226 3.962 1.00 0.00 H new ATOM 0 HG SER B 257 108.290 -4.518 5.806 1.00 0.00 H new ATOM 1747 N SER B 258 111.948 -5.056 5.815 1.00 0.00 N ATOM 1748 CA SER B 258 112.774 -5.590 6.945 1.00 0.00 C ATOM 1749 C SER B 258 114.265 -5.420 6.645 1.00 0.00 C ATOM 1750 O SER B 258 115.066 -5.229 7.542 1.00 0.00 O ATOM 1751 CB SER B 258 112.414 -7.073 7.047 1.00 0.00 C ATOM 1752 OG SER B 258 111.008 -7.207 7.199 1.00 0.00 O ATOM 0 H SER B 258 111.462 -5.764 5.264 1.00 0.00 H new ATOM 0 HA SER B 258 112.576 -5.060 7.877 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.746 -7.602 6.154 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.928 -7.526 7.895 1.00 0.00 H new ATOM 0 HG SER B 258 110.775 -8.157 7.263 1.00 0.00 H new ATOM 1758 N GLN B 259 114.644 -5.490 5.390 1.00 0.00 N ATOM 1759 CA GLN B 259 116.095 -5.365 5.026 1.00 0.00 C ATOM 1760 C GLN B 259 116.625 -3.976 5.398 1.00 0.00 C ATOM 1761 O GLN B 259 117.729 -3.839 5.891 1.00 0.00 O ATOM 1762 CB GLN B 259 116.155 -5.570 3.509 1.00 0.00 C ATOM 1763 CG GLN B 259 115.749 -7.006 3.168 1.00 0.00 C ATOM 1764 CD GLN B 259 115.768 -7.199 1.649 1.00 0.00 C ATOM 1765 OE1 GLN B 259 115.444 -6.295 0.903 1.00 0.00 O ATOM 1766 NE2 GLN B 259 116.137 -8.350 1.155 1.00 0.00 N ATOM 0 H GLN B 259 114.012 -5.628 4.601 1.00 0.00 H new ATOM 0 HA GLN B 259 116.708 -6.092 5.559 1.00 0.00 H new ATOM 0 HB2 GLN B 259 115.490 -4.865 3.010 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.163 -5.370 3.144 1.00 0.00 H new ATOM 0 HG2 GLN B 259 116.432 -7.710 3.643 1.00 0.00 H new ATOM 0 HG3 GLN B 259 114.753 -7.216 3.559 1.00 0.00 H new ATOM 0 HE21 GLN B 259 116.409 -9.109 1.779 1.00 0.00 H new ATOM 0 HE22 GLN B 259 116.153 -8.490 0.145 1.00 0.00 H new ATOM 1775 N LEU B 260 115.844 -2.949 5.164 1.00 0.00 N ATOM 1776 CA LEU B 260 116.301 -1.561 5.494 1.00 0.00 C ATOM 1777 C LEU B 260 116.291 -1.345 7.009 1.00 0.00 C ATOM 1778 O LEU B 260 117.199 -0.750 7.561 1.00 0.00 O ATOM 1779 CB LEU B 260 115.299 -0.624 4.811 1.00 0.00 C ATOM 1780 CG LEU B 260 115.419 -0.762 3.291 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.242 -0.051 2.621 1.00 0.00 C ATOM 1782 CD2 LEU B 260 116.730 -0.123 2.823 1.00 0.00 C ATOM 0 H LEU B 260 114.910 -3.011 4.759 1.00 0.00 H new ATOM 0 HA LEU B 260 117.320 -1.377 5.152 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.285 -0.866 5.129 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.489 0.407 5.109 1.00 0.00 H new ATOM 0 HG LEU B 260 115.410 -1.818 3.020 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.326 -0.149 1.539 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.307 -0.502 2.954 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.253 1.005 2.892 1.00 0.00 H new ATOM 0 HD21 LEU B 260 116.816 -0.221 1.741 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.737 0.933 3.094 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.571 -0.626 3.301 1.00 0.00 H new ATOM 1794 N LEU B 261 115.272 -1.823 7.682 1.00 0.00 N ATOM 1795 CA LEU B 261 115.214 -1.668 9.170 1.00 0.00 C ATOM 1796 C LEU B 261 116.279 -2.549 9.827 1.00 0.00 C ATOM 1797 O LEU B 261 116.903 -2.163 10.798 1.00 0.00 O ATOM 1798 CB LEU B 261 113.806 -2.123 9.576 1.00 0.00 C ATOM 1799 CG LEU B 261 113.535 -1.733 11.031 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.391 -0.212 11.137 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.240 -2.398 11.503 1.00 0.00 C ATOM 0 H LEU B 261 114.480 -2.313 7.266 1.00 0.00 H new ATOM 0 HA LEU B 261 115.406 -0.642 9.485 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.063 -1.665 8.923 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.714 -3.202 9.456 1.00 0.00 H new ATOM 0 HG LEU B 261 114.366 -2.064 11.655 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.198 0.064 12.174 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.311 0.265 10.800 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.561 0.119 10.513 1.00 0.00 H new ATOM 0 HD21 LEU B 261 112.046 -2.121 12.539 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.412 -2.066 10.877 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.339 -3.481 11.429 1.00 0.00 H new ATOM 1813 N SER B 262 116.488 -3.733 9.298 1.00 0.00 N ATOM 1814 CA SER B 262 117.555 -4.634 9.842 1.00 0.00 C ATOM 1815 C SER B 262 118.940 -4.001 9.665 1.00 0.00 C ATOM 1816 O SER B 262 119.811 -4.156 10.501 1.00 0.00 O ATOM 1817 CB SER B 262 117.453 -5.923 9.023 1.00 0.00 C ATOM 1818 OG SER B 262 117.837 -5.658 7.680 1.00 0.00 O ATOM 0 H SER B 262 115.964 -4.115 8.511 1.00 0.00 H new ATOM 0 HA SER B 262 117.424 -4.815 10.909 1.00 0.00 H new ATOM 0 HB2 SER B 262 118.096 -6.692 9.452 1.00 0.00 H new ATOM 0 HB3 SER B 262 116.433 -6.307 9.053 1.00 0.00 H new ATOM 0 HG SER B 262 117.533 -4.762 7.424 1.00 0.00 H new ATOM 1824 N LEU B 263 119.147 -3.290 8.580 1.00 0.00 N ATOM 1825 CA LEU B 263 120.481 -2.646 8.338 1.00 0.00 C ATOM 1826 C LEU B 263 120.757 -1.577 9.399 1.00 0.00 C ATOM 1827 O LEU B 263 121.859 -1.466 9.905 1.00 0.00 O ATOM 1828 CB LEU B 263 120.384 -2.007 6.949 1.00 0.00 C ATOM 1829 CG LEU B 263 120.564 -3.082 5.875 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.047 -2.558 4.535 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.049 -3.429 5.745 1.00 0.00 C ATOM 0 H LEU B 263 118.451 -3.128 7.852 1.00 0.00 H new ATOM 0 HA LEU B 263 121.295 -3.369 8.393 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.417 -1.518 6.830 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.147 -1.237 6.838 1.00 0.00 H new ATOM 0 HG LEU B 263 120.004 -3.973 6.158 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.176 -3.324 3.771 1.00 0.00 H new ATOM 0 HD12 LEU B 263 118.990 -2.309 4.625 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.607 -1.666 4.253 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.178 -4.195 4.980 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.608 -2.537 5.463 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.420 -3.803 6.699 1.00 0.00 H new