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 17 ASN : amide:sc= -1.02 K(o=-1,f=-9.7!) USER MOD Set 1.2: A 19 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 TYR OH : rot 12:sc= 0.627 USER MOD Set 2.2: A 27 ASN : amide:sc= -0.0932 K(o=0.53,f=1.9) USER MOD Single : A 2 SER OG : rot 32:sc= 0.137 USER MOD Single : A 9 SER OG : rot -130:sc= -1.33 USER MOD Single : A 10 ASN : amide:sc= -3.52! C(o=-3.5!,f=-4.5!) USER MOD Single : A 16 ASN : amide:sc= -1.45 K(o=-1.4,f=-4.7!) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc=-0.00727 (180deg=-0.276) USER MOD Single : A 26 THR OG1 : rot -160:sc= -2.33 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 41 ASN : amide:sc= -0.0758 X(o=-0.076,f=-0.0071) 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+ -173:sc= -1.01 (180deg=-1.15) USER MOD Single : A 46 SER OG : rot 17:sc= 1.05 USER MOD Single : A 49 THR OG1 : rot -90:sc= 0.286 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.131) USER MOD Single : B 257 SER OG : rot -96:sc= -0.677 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 262 SER OG : rot 95:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.149 -1.315 0.414 1.00 0.00 N ATOM 45 CA SER A 2 123.332 -0.106 1.275 1.00 0.00 C ATOM 46 C SER A 2 122.231 0.922 0.999 1.00 0.00 C ATOM 47 O SER A 2 121.380 0.721 0.151 1.00 0.00 O ATOM 48 CB SER A 2 124.698 0.454 0.882 1.00 0.00 C ATOM 49 OG SER A 2 125.706 -0.490 1.215 1.00 0.00 O ATOM 0 HA SER A 2 123.277 -0.346 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.722 0.668 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 2 124.880 1.396 1.400 1.00 0.00 H new ATOM 0 HG SER A 2 125.345 -1.397 1.131 1.00 0.00 H new ATOM 55 N VAL A 3 122.246 2.024 1.713 1.00 0.00 N ATOM 56 CA VAL A 3 121.191 3.076 1.522 1.00 0.00 C ATOM 57 C VAL A 3 121.312 3.707 0.125 1.00 0.00 C ATOM 58 O VAL A 3 120.337 4.173 -0.432 1.00 0.00 O ATOM 59 CB VAL A 3 121.446 4.130 2.615 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.378 5.227 2.539 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.385 3.470 3.997 1.00 0.00 C ATOM 0 H VAL A 3 122.945 2.242 2.423 1.00 0.00 H new ATOM 0 HA VAL A 3 120.187 2.658 1.598 1.00 0.00 H new ATOM 0 HB VAL A 3 122.432 4.567 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.564 5.970 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.418 5.706 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.392 4.786 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.566 4.220 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.400 3.028 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 3 122.146 2.692 4.063 1.00 0.00 H new ATOM 71 N ALA A 4 122.500 3.722 -0.440 1.00 0.00 N ATOM 72 CA ALA A 4 122.701 4.362 -1.787 1.00 0.00 C ATOM 73 C ALA A 4 121.744 3.751 -2.816 1.00 0.00 C ATOM 74 O ALA A 4 121.305 4.412 -3.739 1.00 0.00 O ATOM 75 CB ALA A 4 124.152 4.058 -2.168 1.00 0.00 C ATOM 0 H ALA A 4 123.341 3.318 -0.027 1.00 0.00 H new ATOM 0 HA ALA A 4 122.502 5.433 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.372 4.495 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.821 4.483 -1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.298 2.979 -2.213 1.00 0.00 H new ATOM 81 N ASP A 5 121.422 2.491 -2.656 1.00 0.00 N ATOM 82 CA ASP A 5 120.411 1.845 -3.553 1.00 0.00 C ATOM 83 C ASP A 5 119.021 2.426 -3.276 1.00 0.00 C ATOM 84 O ASP A 5 118.214 2.578 -4.176 1.00 0.00 O ATOM 85 CB ASP A 5 120.449 0.353 -3.209 1.00 0.00 C ATOM 86 CG ASP A 5 121.807 -0.232 -3.607 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.276 0.089 -4.688 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.355 -0.991 -2.825 1.00 0.00 O ATOM 0 H ASP A 5 121.816 1.880 -1.941 1.00 0.00 H new ATOM 0 HA ASP A 5 120.629 2.017 -4.607 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.279 0.211 -2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 5 119.649 -0.171 -3.731 1.00 0.00 H new ATOM 93 N PHE A 6 118.740 2.747 -2.035 1.00 0.00 N ATOM 94 CA PHE A 6 117.413 3.345 -1.685 1.00 0.00 C ATOM 95 C PHE A 6 117.501 4.877 -1.581 1.00 0.00 C ATOM 96 O PHE A 6 116.572 5.522 -1.131 1.00 0.00 O ATOM 97 CB PHE A 6 117.054 2.740 -0.328 1.00 0.00 C ATOM 98 CG PHE A 6 116.886 1.239 -0.363 1.00 0.00 C ATOM 99 CD1 PHE A 6 117.999 0.398 -0.127 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.615 0.675 -0.634 1.00 0.00 C ATOM 101 CE1 PHE A 6 117.842 -1.010 -0.161 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.458 -0.731 -0.668 1.00 0.00 C ATOM 103 CZ PHE A 6 116.571 -1.574 -0.432 1.00 0.00 C ATOM 0 H PHE A 6 119.375 2.620 -1.247 1.00 0.00 H new ATOM 0 HA PHE A 6 116.664 3.133 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 6 117.832 2.994 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.129 3.193 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 6 118.968 0.829 0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.766 1.318 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 6 118.691 -1.653 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.489 -1.161 -0.874 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.451 -2.647 -0.459 1.00 0.00 H new ATOM 113 N TYR A 7 118.605 5.466 -1.992 1.00 0.00 N ATOM 114 CA TYR A 7 118.732 6.961 -1.940 1.00 0.00 C ATOM 115 C TYR A 7 117.763 7.604 -2.939 1.00 0.00 C ATOM 116 O TYR A 7 117.723 7.237 -4.099 1.00 0.00 O ATOM 117 CB TYR A 7 120.183 7.240 -2.352 1.00 0.00 C ATOM 118 CG TYR A 7 120.743 8.547 -1.828 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.010 9.750 -1.973 1.00 0.00 C ATOM 120 CD2 TYR A 7 122.019 8.568 -1.212 1.00 0.00 C ATOM 121 CE1 TYR A 7 120.553 10.972 -1.506 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.557 9.791 -0.739 1.00 0.00 C ATOM 123 CZ TYR A 7 121.827 10.991 -0.888 1.00 0.00 C ATOM 124 OH TYR A 7 122.363 12.181 -0.441 1.00 0.00 O ATOM 0 H TYR A 7 119.421 4.976 -2.360 1.00 0.00 H new ATOM 0 HA TYR A 7 118.496 7.367 -0.957 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.812 6.422 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 7 120.245 7.243 -3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.036 9.736 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.581 7.652 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 7 119.995 11.890 -1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.527 9.805 -0.264 1.00 0.00 H new ATOM 0 HH TYR A 7 121.672 12.876 -0.452 1.00 0.00 H new ATOM 134 N GLY A 8 116.985 8.561 -2.493 1.00 0.00 N ATOM 135 CA GLY A 8 115.941 9.169 -3.377 1.00 0.00 C ATOM 136 C GLY A 8 114.674 8.295 -3.401 1.00 0.00 C ATOM 137 O GLY A 8 113.718 8.618 -4.082 1.00 0.00 O ATOM 0 H GLY A 8 117.029 8.949 -1.551 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.693 10.169 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.332 9.279 -4.388 1.00 0.00 H new ATOM 141 N SER A 9 114.651 7.198 -2.674 1.00 0.00 N ATOM 142 CA SER A 9 113.423 6.341 -2.639 1.00 0.00 C ATOM 143 C SER A 9 112.347 6.983 -1.756 1.00 0.00 C ATOM 144 O SER A 9 112.628 7.459 -0.671 1.00 0.00 O ATOM 145 CB SER A 9 113.877 5.010 -2.034 1.00 0.00 C ATOM 146 OG SER A 9 114.879 4.436 -2.863 1.00 0.00 O ATOM 0 H SER A 9 115.429 6.862 -2.106 1.00 0.00 H new ATOM 0 HA SER A 9 112.989 6.214 -3.631 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.267 5.168 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 9 113.030 4.330 -1.944 1.00 0.00 H new ATOM 0 HG SER A 9 114.651 3.502 -3.052 1.00 0.00 H new ATOM 152 N ASN A 10 111.121 7.000 -2.218 1.00 0.00 N ATOM 153 CA ASN A 10 109.994 7.495 -1.364 1.00 0.00 C ATOM 154 C ASN A 10 109.492 6.363 -0.466 1.00 0.00 C ATOM 155 O ASN A 10 108.954 5.376 -0.937 1.00 0.00 O ATOM 156 CB ASN A 10 108.896 7.927 -2.350 1.00 0.00 C ATOM 157 CG ASN A 10 108.160 9.169 -1.823 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.782 10.030 -2.592 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.934 9.299 -0.543 1.00 0.00 N ATOM 0 H ASN A 10 110.850 6.692 -3.152 1.00 0.00 H new ATOM 0 HA ASN A 10 110.296 8.317 -0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 10 109.337 8.144 -3.323 1.00 0.00 H new ATOM 0 HB3 ASN A 10 108.188 7.111 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 10 107.442 10.121 -0.193 1.00 0.00 H new ATOM 0 HD22 ASN A 10 108.250 8.578 0.106 1.00 0.00 H new ATOM 166 N VAL A 11 109.665 6.504 0.822 1.00 0.00 N ATOM 167 CA VAL A 11 109.202 5.442 1.768 1.00 0.00 C ATOM 168 C VAL A 11 108.595 6.095 3.009 1.00 0.00 C ATOM 169 O VAL A 11 108.795 7.270 3.255 1.00 0.00 O ATOM 170 CB VAL A 11 110.455 4.620 2.126 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.017 3.958 0.864 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.532 5.528 2.741 1.00 0.00 C ATOM 0 H VAL A 11 110.108 7.310 1.262 1.00 0.00 H new ATOM 0 HA VAL A 11 108.434 4.803 1.332 1.00 0.00 H new ATOM 0 HB VAL A 11 110.174 3.856 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 11 111.903 3.378 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.264 3.298 0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.285 4.726 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.411 4.933 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.808 6.302 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 11 111.142 5.993 3.646 1.00 0.00 H new ATOM 182 N GLU A 12 107.857 5.346 3.791 1.00 0.00 N ATOM 183 CA GLU A 12 107.257 5.930 5.026 1.00 0.00 C ATOM 184 C GLU A 12 107.951 5.361 6.265 1.00 0.00 C ATOM 185 O GLU A 12 108.101 4.163 6.409 1.00 0.00 O ATOM 186 CB GLU A 12 105.786 5.506 4.986 1.00 0.00 C ATOM 187 CG GLU A 12 105.021 6.183 6.129 1.00 0.00 C ATOM 188 CD GLU A 12 103.520 5.922 5.973 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.162 4.801 5.651 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.754 6.848 6.179 1.00 0.00 O ATOM 0 H GLU A 12 107.646 4.362 3.627 1.00 0.00 H new ATOM 0 HA GLU A 12 107.366 7.014 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.345 5.780 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.707 4.422 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.368 5.800 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.216 7.255 6.124 1.00 0.00 H new ATOM 197 N VAL A 13 108.379 6.217 7.158 1.00 0.00 N ATOM 198 CA VAL A 13 109.086 5.745 8.386 1.00 0.00 C ATOM 199 C VAL A 13 108.169 5.884 9.605 1.00 0.00 C ATOM 200 O VAL A 13 107.624 6.943 9.863 1.00 0.00 O ATOM 201 CB VAL A 13 110.310 6.668 8.520 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.140 6.260 9.743 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.183 6.563 7.261 1.00 0.00 C ATOM 0 H VAL A 13 108.268 7.229 7.088 1.00 0.00 H new ATOM 0 HA VAL A 13 109.374 4.696 8.323 1.00 0.00 H new ATOM 0 HB VAL A 13 109.964 7.695 8.640 1.00 0.00 H new ATOM 0 HG11 VAL A 13 112.005 6.918 9.832 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.528 6.342 10.642 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.478 5.230 9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 13 112.048 7.219 7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.520 5.534 7.137 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.601 6.862 6.389 1.00 0.00 H new ATOM 213 N LEU A 14 107.999 4.822 10.351 1.00 0.00 N ATOM 214 CA LEU A 14 107.240 4.914 11.635 1.00 0.00 C ATOM 215 C LEU A 14 108.230 5.097 12.788 1.00 0.00 C ATOM 216 O LEU A 14 109.145 4.311 12.959 1.00 0.00 O ATOM 217 CB LEU A 14 106.499 3.575 11.754 1.00 0.00 C ATOM 218 CG LEU A 14 105.662 3.544 13.038 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.437 4.444 12.878 1.00 0.00 C ATOM 220 CD2 LEU A 14 105.204 2.110 13.310 1.00 0.00 C ATOM 0 H LEU A 14 108.354 3.893 10.125 1.00 0.00 H new ATOM 0 HA LEU A 14 106.547 5.754 11.664 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.854 3.430 10.887 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.216 2.754 11.759 1.00 0.00 H new ATOM 0 HG LEU A 14 106.267 3.902 13.871 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.845 4.419 13.793 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.760 5.467 12.683 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.831 4.089 12.044 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.609 2.085 14.223 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.601 1.756 12.474 1.00 0.00 H new ATOM 0 HD23 LEU A 14 106.075 1.466 13.428 1.00 0.00 H new ATOM 232 N LEU A 15 108.052 6.124 13.579 1.00 0.00 N ATOM 233 CA LEU A 15 109.071 6.455 14.623 1.00 0.00 C ATOM 234 C LEU A 15 108.689 5.849 15.980 1.00 0.00 C ATOM 235 O LEU A 15 107.584 5.377 16.173 1.00 0.00 O ATOM 236 CB LEU A 15 109.082 7.983 14.698 1.00 0.00 C ATOM 237 CG LEU A 15 109.639 8.559 13.395 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.385 10.066 13.353 1.00 0.00 C ATOM 239 CD2 LEU A 15 111.147 8.297 13.324 1.00 0.00 C ATOM 0 H LEU A 15 107.246 6.748 13.548 1.00 0.00 H new ATOM 0 HA LEU A 15 110.051 6.049 14.373 1.00 0.00 H new ATOM 0 HB2 LEU A 15 108.072 8.356 14.869 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.690 8.311 15.541 1.00 0.00 H new ATOM 0 HG LEU A 15 109.145 8.082 12.548 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.782 10.476 12.424 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.313 10.256 13.404 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.879 10.542 14.200 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.544 8.707 12.396 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.639 8.774 14.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.332 7.223 13.354 1.00 0.00 H new ATOM 251 N ASN A 16 109.610 5.864 16.917 1.00 0.00 N ATOM 252 CA ASN A 16 109.365 5.235 18.263 1.00 0.00 C ATOM 253 C ASN A 16 108.141 5.849 18.961 1.00 0.00 C ATOM 254 O ASN A 16 107.553 5.241 19.838 1.00 0.00 O ATOM 255 CB ASN A 16 110.641 5.508 19.080 1.00 0.00 C ATOM 256 CG ASN A 16 110.904 7.017 19.181 1.00 0.00 C ATOM 257 OD1 ASN A 16 110.075 7.760 19.668 1.00 0.00 O ATOM 258 ND2 ASN A 16 112.031 7.502 18.736 1.00 0.00 N ATOM 0 H ASN A 16 110.531 6.289 16.808 1.00 0.00 H new ATOM 0 HA ASN A 16 109.156 4.170 18.166 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.538 5.084 20.079 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.492 5.015 18.611 1.00 0.00 H new ATOM 0 HD21 ASN A 16 112.215 8.503 18.797 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.728 6.880 18.327 1.00 0.00 H new ATOM 265 N ASN A 17 107.756 7.043 18.578 1.00 0.00 N ATOM 266 CA ASN A 17 106.617 7.732 19.267 1.00 0.00 C ATOM 267 C ASN A 17 105.281 7.421 18.566 1.00 0.00 C ATOM 268 O ASN A 17 104.328 8.167 18.691 1.00 0.00 O ATOM 269 CB ASN A 17 106.945 9.234 19.190 1.00 0.00 C ATOM 270 CG ASN A 17 106.995 9.711 17.729 1.00 0.00 C ATOM 271 OD1 ASN A 17 107.072 8.915 16.815 1.00 0.00 O ATOM 272 ND2 ASN A 17 106.956 10.991 17.475 1.00 0.00 N ATOM 0 H ASN A 17 108.182 7.572 17.817 1.00 0.00 H new ATOM 0 HA ASN A 17 106.504 7.396 20.298 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.193 9.803 19.737 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.903 9.426 19.672 1.00 0.00 H new ATOM 0 HD21 ASN A 17 106.990 11.321 16.510 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.891 11.661 18.241 1.00 0.00 H new ATOM 279 N ASP A 18 105.208 6.326 17.830 1.00 0.00 N ATOM 280 CA ASP A 18 103.915 5.897 17.188 1.00 0.00 C ATOM 281 C ASP A 18 103.384 6.992 16.252 1.00 0.00 C ATOM 282 O ASP A 18 102.191 7.097 16.029 1.00 0.00 O ATOM 283 CB ASP A 18 102.927 5.642 18.339 1.00 0.00 C ATOM 284 CG ASP A 18 103.435 4.490 19.212 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.915 3.515 18.656 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.336 4.604 20.422 1.00 0.00 O ATOM 0 H ASP A 18 105.998 5.707 17.646 1.00 0.00 H new ATOM 0 HA ASP A 18 104.054 5.003 16.581 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.814 6.544 18.940 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.942 5.401 17.939 1.00 0.00 H new ATOM 291 N SER A 19 104.261 7.806 15.706 1.00 0.00 N ATOM 292 CA SER A 19 103.835 8.789 14.667 1.00 0.00 C ATOM 293 C SER A 19 104.362 8.350 13.299 1.00 0.00 C ATOM 294 O SER A 19 105.448 7.809 13.191 1.00 0.00 O ATOM 295 CB SER A 19 104.468 10.114 15.088 1.00 0.00 C ATOM 296 OG SER A 19 104.021 10.453 16.393 1.00 0.00 O ATOM 0 H SER A 19 105.254 7.828 15.939 1.00 0.00 H new ATOM 0 HA SER A 19 102.751 8.870 14.586 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.555 10.032 15.073 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.198 10.900 14.383 1.00 0.00 H new ATOM 0 HG SER A 19 104.426 11.302 16.667 1.00 0.00 H new ATOM 302 N LYS A 20 103.602 8.578 12.257 1.00 0.00 N ATOM 303 CA LYS A 20 104.019 8.106 10.901 1.00 0.00 C ATOM 304 C LYS A 20 104.408 9.291 10.014 1.00 0.00 C ATOM 305 O LYS A 20 103.834 10.362 10.107 1.00 0.00 O ATOM 306 CB LYS A 20 102.781 7.411 10.332 1.00 0.00 C ATOM 307 CG LYS A 20 102.618 6.038 10.984 1.00 0.00 C ATOM 308 CD LYS A 20 101.349 5.368 10.453 1.00 0.00 C ATOM 309 CE LYS A 20 101.135 4.033 11.171 1.00 0.00 C ATOM 310 NZ LYS A 20 101.960 3.051 10.413 1.00 0.00 N ATOM 0 H LYS A 20 102.710 9.071 12.287 1.00 0.00 H new ATOM 0 HA LYS A 20 104.885 7.446 10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.895 8.019 10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.877 7.303 9.252 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.487 5.416 10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.561 6.143 12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.489 6.019 10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.434 5.205 9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.449 4.091 12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.083 3.749 11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 102.313 2.320 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 101.379 2.606 9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 102.765 3.541 9.972 1.00 0.00 H new ATOM 324 N ALA A 21 105.379 9.101 9.156 1.00 0.00 N ATOM 325 CA ALA A 21 105.765 10.181 8.195 1.00 0.00 C ATOM 326 C ALA A 21 106.381 9.562 6.936 1.00 0.00 C ATOM 327 O ALA A 21 106.923 8.477 6.979 1.00 0.00 O ATOM 328 CB ALA A 21 106.796 11.028 8.939 1.00 0.00 C ATOM 0 H ALA A 21 105.923 8.242 9.079 1.00 0.00 H new ATOM 0 HA ALA A 21 104.911 10.777 7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 21 107.128 11.844 8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 21 106.346 11.438 9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.650 10.407 9.209 1.00 0.00 H new ATOM 334 N ARG A 22 106.300 10.247 5.820 1.00 0.00 N ATOM 335 CA ARG A 22 106.871 9.696 4.552 1.00 0.00 C ATOM 336 C ARG A 22 107.550 10.803 3.744 1.00 0.00 C ATOM 337 O ARG A 22 107.180 11.959 3.832 1.00 0.00 O ATOM 338 CB ARG A 22 105.676 9.103 3.786 1.00 0.00 C ATOM 339 CG ARG A 22 104.632 10.189 3.491 1.00 0.00 C ATOM 340 CD ARG A 22 103.326 9.531 3.033 1.00 0.00 C ATOM 341 NE ARG A 22 102.390 10.664 2.738 1.00 0.00 N ATOM 342 CZ ARG A 22 101.288 10.482 2.035 1.00 0.00 C ATOM 343 NH1 ARG A 22 100.962 9.301 1.560 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.502 11.498 1.808 1.00 0.00 N ATOM 0 H ARG A 22 105.863 11.164 5.734 1.00 0.00 H new ATOM 0 HA ARG A 22 107.634 8.941 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 22 106.020 8.658 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.222 8.304 4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.455 10.791 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 22 105.002 10.864 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.486 8.914 2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.922 8.879 3.808 1.00 0.00 H new ATOM 0 HE ARG A 22 102.610 11.596 3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.567 8.498 1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.104 9.188 1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.742 12.420 2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.647 11.371 1.266 1.00 0.00 H new ATOM 358 N GLY A 23 108.543 10.453 2.964 1.00 0.00 N ATOM 359 CA GLY A 23 109.256 11.479 2.148 1.00 0.00 C ATOM 360 C GLY A 23 110.220 10.774 1.191 1.00 0.00 C ATOM 361 O GLY A 23 110.430 9.578 1.285 1.00 0.00 O ATOM 0 H GLY A 23 108.890 9.500 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.539 12.078 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.803 12.163 2.797 1.00 0.00 H new ATOM 365 N VAL A 24 110.802 11.504 0.272 1.00 0.00 N ATOM 366 CA VAL A 24 111.817 10.897 -0.644 1.00 0.00 C ATOM 367 C VAL A 24 113.218 11.137 -0.072 1.00 0.00 C ATOM 368 O VAL A 24 113.588 12.253 0.231 1.00 0.00 O ATOM 369 CB VAL A 24 111.642 11.626 -1.990 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.620 11.057 -3.028 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.210 11.434 -2.505 1.00 0.00 C ATOM 0 H VAL A 24 110.618 12.495 0.116 1.00 0.00 H new ATOM 0 HA VAL A 24 111.690 9.821 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 24 111.842 12.687 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.489 11.579 -3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.643 11.194 -2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.424 9.994 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 24 110.093 11.952 -3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 24 110.013 10.371 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.505 11.842 -1.781 1.00 0.00 H new ATOM 381 N ILE A 25 113.996 10.093 0.073 1.00 0.00 N ATOM 382 CA ILE A 25 115.302 10.210 0.807 1.00 0.00 C ATOM 383 C ILE A 25 116.240 11.206 0.102 1.00 0.00 C ATOM 384 O ILE A 25 116.344 11.229 -1.110 1.00 0.00 O ATOM 385 CB ILE A 25 115.885 8.782 0.810 1.00 0.00 C ATOM 386 CG1 ILE A 25 115.109 7.929 1.816 1.00 0.00 C ATOM 387 CG2 ILE A 25 117.372 8.793 1.196 1.00 0.00 C ATOM 388 CD1 ILE A 25 115.363 6.446 1.535 1.00 0.00 C ATOM 0 H ILE A 25 113.786 9.161 -0.285 1.00 0.00 H new ATOM 0 HA ILE A 25 115.175 10.592 1.820 1.00 0.00 H new ATOM 0 HB ILE A 25 115.793 8.366 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 25 115.418 8.175 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 25 114.043 8.145 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.757 7.773 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.930 9.396 0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.486 9.218 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.810 5.840 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 25 115.032 6.205 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.428 6.235 1.628 1.00 0.00 H new ATOM 400 N THR A 26 116.919 12.025 0.872 1.00 0.00 N ATOM 401 CA THR A 26 117.848 13.035 0.283 1.00 0.00 C ATOM 402 C THR A 26 119.283 12.846 0.796 1.00 0.00 C ATOM 403 O THR A 26 120.215 13.310 0.170 1.00 0.00 O ATOM 404 CB THR A 26 117.302 14.396 0.718 1.00 0.00 C ATOM 405 OG1 THR A 26 116.954 14.357 2.095 1.00 0.00 O ATOM 406 CG2 THR A 26 116.066 14.744 -0.115 1.00 0.00 C ATOM 0 H THR A 26 116.867 12.034 1.891 1.00 0.00 H new ATOM 0 HA THR A 26 117.896 12.938 -0.802 1.00 0.00 H new ATOM 0 HB THR A 26 118.068 15.156 0.563 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.330 15.085 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 26 115.679 15.714 0.197 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.338 14.783 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.300 13.983 0.034 1.00 0.00 H new ATOM 414 N ASN A 27 119.484 12.179 1.923 1.00 0.00 N ATOM 415 CA ASN A 27 120.894 11.937 2.391 1.00 0.00 C ATOM 416 C ASN A 27 120.956 10.868 3.489 1.00 0.00 C ATOM 417 O ASN A 27 119.983 10.588 4.160 1.00 0.00 O ATOM 418 CB ASN A 27 121.372 13.285 2.939 1.00 0.00 C ATOM 419 CG ASN A 27 122.894 13.385 2.799 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.411 13.457 1.703 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.635 13.393 3.873 1.00 0.00 N ATOM 0 H ASN A 27 118.750 11.802 2.523 1.00 0.00 H new ATOM 0 HA ASN A 27 121.518 11.570 1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.892 14.100 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.085 13.386 3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.650 13.460 3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.200 13.332 4.793 1.00 0.00 H new ATOM 428 N PHE A 28 122.116 10.274 3.658 1.00 0.00 N ATOM 429 CA PHE A 28 122.348 9.314 4.783 1.00 0.00 C ATOM 430 C PHE A 28 123.824 9.358 5.187 1.00 0.00 C ATOM 431 O PHE A 28 124.700 9.081 4.390 1.00 0.00 O ATOM 432 CB PHE A 28 121.980 7.939 4.223 1.00 0.00 C ATOM 433 CG PHE A 28 122.103 6.823 5.233 1.00 0.00 C ATOM 434 CD1 PHE A 28 120.996 6.478 6.046 1.00 0.00 C ATOM 435 CD2 PHE A 28 123.326 6.121 5.366 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.112 5.432 6.993 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.442 5.074 6.313 1.00 0.00 C ATOM 438 CZ PHE A 28 122.335 4.729 7.126 1.00 0.00 C ATOM 0 H PHE A 28 122.924 10.418 3.052 1.00 0.00 H new ATOM 0 HA PHE A 28 121.758 9.551 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.956 7.970 3.851 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.623 7.719 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.063 7.013 5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 28 124.170 6.384 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.268 5.170 7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 28 124.375 4.539 6.415 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.423 3.930 7.847 1.00 0.00 H new ATOM 448 N ASP A 29 124.101 9.705 6.420 1.00 0.00 N ATOM 449 CA ASP A 29 125.520 9.833 6.870 1.00 0.00 C ATOM 450 C ASP A 29 125.944 8.547 7.572 1.00 0.00 C ATOM 451 O ASP A 29 125.283 8.096 8.480 1.00 0.00 O ATOM 452 CB ASP A 29 125.523 11.009 7.849 1.00 0.00 C ATOM 453 CG ASP A 29 126.964 11.363 8.221 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.458 10.808 9.188 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.548 12.184 7.532 1.00 0.00 O ATOM 0 H ASP A 29 123.402 9.906 7.136 1.00 0.00 H new ATOM 0 HA ASP A 29 126.212 9.999 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.031 11.871 7.399 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.958 10.751 8.745 1.00 0.00 H new ATOM 460 N SER A 30 127.036 7.955 7.160 1.00 0.00 N ATOM 461 CA SER A 30 127.438 6.632 7.741 1.00 0.00 C ATOM 462 C SER A 30 127.794 6.773 9.224 1.00 0.00 C ATOM 463 O SER A 30 127.358 5.990 10.048 1.00 0.00 O ATOM 464 CB SER A 30 128.663 6.187 6.937 1.00 0.00 C ATOM 465 OG SER A 30 129.020 4.866 7.319 1.00 0.00 O ATOM 0 H SER A 30 127.666 8.326 6.449 1.00 0.00 H new ATOM 0 HA SER A 30 126.627 5.906 7.682 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.445 6.223 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 30 129.496 6.867 7.115 1.00 0.00 H new ATOM 0 HG SER A 30 129.803 4.577 6.805 1.00 0.00 H new ATOM 471 N SER A 31 128.577 7.767 9.570 1.00 0.00 N ATOM 472 CA SER A 31 129.083 7.883 10.979 1.00 0.00 C ATOM 473 C SER A 31 127.919 7.972 11.976 1.00 0.00 C ATOM 474 O SER A 31 127.897 7.276 12.975 1.00 0.00 O ATOM 475 CB SER A 31 129.907 9.172 11.011 1.00 0.00 C ATOM 476 OG SER A 31 130.584 9.267 12.257 1.00 0.00 O ATOM 0 H SER A 31 128.889 8.505 8.938 1.00 0.00 H new ATOM 0 HA SER A 31 129.673 7.011 11.263 1.00 0.00 H new ATOM 0 HB2 SER A 31 130.626 9.178 10.192 1.00 0.00 H new ATOM 0 HB3 SER A 31 129.257 10.036 10.870 1.00 0.00 H new ATOM 0 HG SER A 31 131.114 10.091 12.279 1.00 0.00 H new ATOM 482 N ASN A 32 126.958 8.821 11.710 1.00 0.00 N ATOM 483 CA ASN A 32 125.810 8.988 12.657 1.00 0.00 C ATOM 484 C ASN A 32 124.519 8.357 12.107 1.00 0.00 C ATOM 485 O ASN A 32 123.498 8.372 12.769 1.00 0.00 O ATOM 486 CB ASN A 32 125.641 10.502 12.799 1.00 0.00 C ATOM 487 CG ASN A 32 126.849 11.089 13.532 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.388 10.475 14.431 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.301 12.263 13.184 1.00 0.00 N ATOM 0 H ASN A 32 126.918 9.407 10.876 1.00 0.00 H new ATOM 0 HA ASN A 32 126.004 8.492 13.608 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.542 10.961 11.815 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.726 10.726 13.348 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.105 12.663 13.667 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.850 12.780 12.429 1.00 0.00 H new ATOM 496 N SER A 33 124.547 7.800 10.907 1.00 0.00 N ATOM 497 CA SER A 33 123.288 7.277 10.263 1.00 0.00 C ATOM 498 C SER A 33 122.164 8.324 10.326 1.00 0.00 C ATOM 499 O SER A 33 121.168 8.144 11.006 1.00 0.00 O ATOM 500 CB SER A 33 122.917 6.020 11.056 1.00 0.00 C ATOM 501 OG SER A 33 123.958 5.060 10.927 1.00 0.00 O ATOM 0 H SER A 33 125.391 7.686 10.346 1.00 0.00 H new ATOM 0 HA SER A 33 123.436 7.055 9.206 1.00 0.00 H new ATOM 0 HB2 SER A 33 122.765 6.270 12.106 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.978 5.607 10.687 1.00 0.00 H new ATOM 0 HG SER A 33 123.725 4.255 11.435 1.00 0.00 H new ATOM 507 N ILE A 34 122.323 9.416 9.618 1.00 0.00 N ATOM 508 CA ILE A 34 121.324 10.529 9.710 1.00 0.00 C ATOM 509 C ILE A 34 120.608 10.671 8.369 1.00 0.00 C ATOM 510 O ILE A 34 121.237 10.828 7.341 1.00 0.00 O ATOM 511 CB ILE A 34 122.142 11.795 10.025 1.00 0.00 C ATOM 512 CG1 ILE A 34 123.008 11.583 11.287 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.195 12.983 10.242 1.00 0.00 C ATOM 514 CD1 ILE A 34 122.138 11.312 12.528 1.00 0.00 C ATOM 0 H ILE A 34 123.101 9.585 8.980 1.00 0.00 H new ATOM 0 HA ILE A 34 120.567 10.350 10.473 1.00 0.00 H new ATOM 0 HB ILE A 34 122.800 12.002 9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.687 10.746 11.127 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.625 12.465 11.459 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.778 13.877 10.465 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.607 13.149 9.340 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.527 12.768 11.076 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.779 11.168 13.397 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.477 12.161 12.702 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.541 10.415 12.365 1.00 0.00 H new ATOM 526 N LEU A 35 119.300 10.627 8.373 1.00 0.00 N ATOM 527 CA LEU A 35 118.546 10.531 7.088 1.00 0.00 C ATOM 528 C LEU A 35 117.693 11.778 6.876 1.00 0.00 C ATOM 529 O LEU A 35 116.815 12.083 7.661 1.00 0.00 O ATOM 530 CB LEU A 35 117.658 9.295 7.251 1.00 0.00 C ATOM 531 CG LEU A 35 116.971 8.972 5.922 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.917 8.153 5.042 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.699 8.164 6.192 1.00 0.00 C ATOM 0 H LEU A 35 118.721 10.654 9.213 1.00 0.00 H new ATOM 0 HA LEU A 35 119.207 10.454 6.225 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.258 8.445 7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.910 9.472 8.024 1.00 0.00 H new ATOM 0 HG LEU A 35 116.714 9.900 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.427 7.924 4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.824 8.726 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.175 7.225 5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.208 7.933 5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.959 7.237 6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 35 115.024 8.747 6.819 1.00 0.00 H new ATOM 545 N GLN A 36 117.951 12.497 5.815 1.00 0.00 N ATOM 546 CA GLN A 36 117.043 13.610 5.421 1.00 0.00 C ATOM 547 C GLN A 36 115.983 13.077 4.464 1.00 0.00 C ATOM 548 O GLN A 36 116.297 12.375 3.522 1.00 0.00 O ATOM 549 CB GLN A 36 117.938 14.629 4.715 1.00 0.00 C ATOM 550 CG GLN A 36 118.867 15.287 5.738 1.00 0.00 C ATOM 551 CD GLN A 36 119.757 16.315 5.037 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.322 16.998 4.131 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.997 16.455 5.421 1.00 0.00 N ATOM 0 H GLN A 36 118.755 12.359 5.203 1.00 0.00 H new ATOM 0 HA GLN A 36 116.527 14.054 6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.524 14.138 3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.327 15.386 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.280 15.771 6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.482 14.530 6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.363 15.882 6.181 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.600 17.137 4.961 1.00 0.00 H new ATOM 562 N LEU A 37 114.734 13.399 4.700 1.00 0.00 N ATOM 563 CA LEU A 37 113.662 12.998 3.741 1.00 0.00 C ATOM 564 C LEU A 37 112.990 14.241 3.161 1.00 0.00 C ATOM 565 O LEU A 37 112.484 15.079 3.884 1.00 0.00 O ATOM 566 CB LEU A 37 112.661 12.200 4.578 1.00 0.00 C ATOM 567 CG LEU A 37 113.285 10.869 5.002 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.485 10.279 6.166 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.259 9.893 3.822 1.00 0.00 C ATOM 0 H LEU A 37 114.413 13.922 5.515 1.00 0.00 H new ATOM 0 HA LEU A 37 114.051 12.418 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.371 12.773 5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.753 12.020 4.002 1.00 0.00 H new ATOM 0 HG LEU A 37 114.316 11.035 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.929 9.331 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.501 10.972 7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.454 10.113 5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.704 8.945 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.228 9.727 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.827 10.312 2.991 1.00 0.00 H new ATOM 581 N ARG A 38 112.986 14.362 1.857 1.00 0.00 N ATOM 582 CA ARG A 38 112.237 15.478 1.203 1.00 0.00 C ATOM 583 C ARG A 38 110.949 14.945 0.565 1.00 0.00 C ATOM 584 O ARG A 38 110.983 14.294 -0.463 1.00 0.00 O ATOM 585 CB ARG A 38 113.187 16.008 0.128 1.00 0.00 C ATOM 586 CG ARG A 38 112.598 17.273 -0.504 1.00 0.00 C ATOM 587 CD ARG A 38 113.519 17.760 -1.625 1.00 0.00 C ATOM 588 NE ARG A 38 112.930 19.060 -2.077 1.00 0.00 N ATOM 589 CZ ARG A 38 113.075 20.167 -1.373 1.00 0.00 C ATOM 590 NH1 ARG A 38 113.730 20.180 -0.234 1.00 0.00 N ATOM 591 NH2 ARG A 38 112.552 21.277 -1.818 1.00 0.00 N ATOM 0 H ARG A 38 113.471 13.734 1.216 1.00 0.00 H new ATOM 0 HA ARG A 38 111.944 16.254 1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.161 16.228 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.346 15.248 -0.637 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.604 17.065 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 38 112.484 18.051 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.540 17.893 -1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.560 17.040 -2.443 1.00 0.00 H new ATOM 0 HE ARG A 38 112.404 19.091 -2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 38 114.142 19.320 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 38 113.826 21.050 0.289 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.039 21.282 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 38 112.656 22.140 -1.284 1.00 0.00 H new ATOM 605 N LEU A 39 109.819 15.217 1.168 1.00 0.00 N ATOM 606 CA LEU A 39 108.527 14.674 0.639 1.00 0.00 C ATOM 607 C LEU A 39 107.989 15.568 -0.491 1.00 0.00 C ATOM 608 O LEU A 39 108.289 16.748 -0.562 1.00 0.00 O ATOM 609 CB LEU A 39 107.586 14.665 1.854 1.00 0.00 C ATOM 610 CG LEU A 39 106.177 14.174 1.477 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.219 12.744 0.924 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.309 14.189 2.732 1.00 0.00 C ATOM 0 H LEU A 39 109.734 15.793 2.006 1.00 0.00 H new ATOM 0 HA LEU A 39 108.633 13.680 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.000 14.022 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.522 15.669 2.272 1.00 0.00 H new ATOM 0 HG LEU A 39 105.770 14.831 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.209 12.424 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.847 12.717 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.631 12.074 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.305 13.844 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.744 13.530 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.257 15.204 3.126 1.00 0.00 H new ATOM 624 N ALA A 40 107.191 15.001 -1.367 1.00 0.00 N ATOM 625 CA ALA A 40 106.784 15.721 -2.623 1.00 0.00 C ATOM 626 C ALA A 40 105.855 16.912 -2.333 1.00 0.00 C ATOM 627 O ALA A 40 105.479 17.632 -3.241 1.00 0.00 O ATOM 628 CB ALA A 40 106.050 14.675 -3.465 1.00 0.00 C ATOM 0 H ALA A 40 106.801 14.064 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 40 107.655 16.137 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.721 15.127 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.722 13.844 -3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.183 14.308 -2.915 1.00 0.00 H new ATOM 634 N ASN A 41 105.480 17.134 -1.092 1.00 0.00 N ATOM 635 CA ASN A 41 104.671 18.347 -0.752 1.00 0.00 C ATOM 636 C ASN A 41 105.587 19.546 -0.442 1.00 0.00 C ATOM 637 O ASN A 41 105.223 20.419 0.323 1.00 0.00 O ATOM 638 CB ASN A 41 103.868 17.956 0.493 1.00 0.00 C ATOM 639 CG ASN A 41 102.849 16.874 0.125 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.798 15.833 0.752 1.00 0.00 O ATOM 641 ND2 ASN A 41 102.030 17.076 -0.870 1.00 0.00 N ATOM 0 H ASN A 41 105.700 16.527 -0.303 1.00 0.00 H new ATOM 0 HA ASN A 41 104.029 18.649 -1.579 1.00 0.00 H new ATOM 0 HB2 ASN A 41 104.538 17.590 1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.357 18.829 0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 41 101.347 16.361 -1.122 1.00 0.00 H new ATOM 0 HD22 ASN A 41 102.072 17.949 -1.396 1.00 0.00 H new ATOM 648 N ASP A 42 106.778 19.596 -1.026 1.00 0.00 N ATOM 649 CA ASP A 42 107.688 20.781 -0.846 1.00 0.00 C ATOM 650 C ASP A 42 108.130 20.898 0.619 1.00 0.00 C ATOM 651 O ASP A 42 108.399 21.984 1.100 1.00 0.00 O ATOM 652 CB ASP A 42 106.872 22.016 -1.259 1.00 0.00 C ATOM 653 CG ASP A 42 107.823 23.156 -1.631 1.00 0.00 C ATOM 654 OD1 ASP A 42 108.788 22.894 -2.330 1.00 0.00 O ATOM 655 OD2 ASP A 42 107.570 24.273 -1.210 1.00 0.00 O ATOM 0 H ASP A 42 107.155 18.859 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 42 108.591 20.683 -1.449 1.00 0.00 H new ATOM 0 HB2 ASP A 42 106.229 21.774 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 42 106.220 22.324 -0.442 1.00 0.00 H new ATOM 660 N SER A 43 108.208 19.792 1.332 1.00 0.00 N ATOM 661 CA SER A 43 108.678 19.844 2.749 1.00 0.00 C ATOM 662 C SER A 43 109.859 18.890 2.948 1.00 0.00 C ATOM 663 O SER A 43 109.861 17.780 2.449 1.00 0.00 O ATOM 664 CB SER A 43 107.477 19.394 3.581 1.00 0.00 C ATOM 665 OG SER A 43 106.429 20.345 3.445 1.00 0.00 O ATOM 0 H SER A 43 107.966 18.862 0.990 1.00 0.00 H new ATOM 0 HA SER A 43 109.021 20.838 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 43 107.138 18.412 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 43 107.762 19.297 4.629 1.00 0.00 H new ATOM 0 HG SER A 43 105.657 20.059 3.976 1.00 0.00 H new ATOM 671 N THR A 44 110.862 19.321 3.674 1.00 0.00 N ATOM 672 CA THR A 44 112.043 18.442 3.939 1.00 0.00 C ATOM 673 C THR A 44 112.329 18.387 5.444 1.00 0.00 C ATOM 674 O THR A 44 112.068 19.334 6.164 1.00 0.00 O ATOM 675 CB THR A 44 113.213 19.081 3.170 1.00 0.00 C ATOM 676 OG1 THR A 44 114.383 18.300 3.367 1.00 0.00 O ATOM 677 CG2 THR A 44 113.466 20.512 3.664 1.00 0.00 C ATOM 0 H THR A 44 110.913 20.248 4.096 1.00 0.00 H new ATOM 0 HA THR A 44 111.876 17.415 3.615 1.00 0.00 H new ATOM 0 HB THR A 44 112.961 19.117 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 44 115.131 18.702 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 44 114.297 20.947 3.109 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.571 21.114 3.509 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.710 20.492 4.726 1.00 0.00 H new ATOM 685 N LYS A 45 112.861 17.288 5.918 1.00 0.00 N ATOM 686 CA LYS A 45 113.131 17.155 7.384 1.00 0.00 C ATOM 687 C LYS A 45 114.319 16.219 7.630 1.00 0.00 C ATOM 688 O LYS A 45 114.418 15.160 7.039 1.00 0.00 O ATOM 689 CB LYS A 45 111.849 16.562 7.970 1.00 0.00 C ATOM 690 CG LYS A 45 111.912 16.615 9.498 1.00 0.00 C ATOM 691 CD LYS A 45 110.630 16.020 10.084 1.00 0.00 C ATOM 692 CE LYS A 45 110.592 16.275 11.593 1.00 0.00 C ATOM 693 NZ LYS A 45 111.551 15.292 12.172 1.00 0.00 N ATOM 0 H LYS A 45 113.120 16.478 5.355 1.00 0.00 H new ATOM 0 HA LYS A 45 113.387 18.111 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 45 110.982 17.118 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.727 15.532 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.779 16.060 9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 45 112.033 17.646 9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.758 16.467 9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.589 14.949 9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 45 110.885 17.298 11.828 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.588 16.131 11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 111.494 15.322 13.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 111.311 14.336 11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 112.517 15.531 11.871 1.00 0.00 H new ATOM 707 N SER A 46 115.218 16.609 8.502 1.00 0.00 N ATOM 708 CA SER A 46 116.379 15.730 8.840 1.00 0.00 C ATOM 709 C SER A 46 116.071 14.905 10.093 1.00 0.00 C ATOM 710 O SER A 46 115.803 15.448 11.149 1.00 0.00 O ATOM 711 CB SER A 46 117.541 16.689 9.103 1.00 0.00 C ATOM 712 OG SER A 46 117.275 17.438 10.282 1.00 0.00 O ATOM 0 H SER A 46 115.196 17.502 8.995 1.00 0.00 H new ATOM 0 HA SER A 46 116.607 15.023 8.042 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.470 16.130 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.673 17.360 8.254 1.00 0.00 H new ATOM 0 HG SER A 46 116.570 16.995 10.799 1.00 0.00 H new ATOM 718 N ILE A 47 116.108 13.599 9.980 1.00 0.00 N ATOM 719 CA ILE A 47 115.810 12.725 11.157 1.00 0.00 C ATOM 720 C ILE A 47 116.929 11.691 11.318 1.00 0.00 C ATOM 721 O ILE A 47 117.374 11.099 10.352 1.00 0.00 O ATOM 722 CB ILE A 47 114.470 12.040 10.837 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.379 13.100 10.629 1.00 0.00 C ATOM 724 CG2 ILE A 47 114.063 11.129 12.000 1.00 0.00 C ATOM 725 CD1 ILE A 47 112.132 12.443 10.031 1.00 0.00 C ATOM 0 H ILE A 47 116.333 13.100 9.120 1.00 0.00 H new ATOM 0 HA ILE A 47 115.749 13.287 12.089 1.00 0.00 H new ATOM 0 HB ILE A 47 114.585 11.449 9.929 1.00 0.00 H new ATOM 0 HG12 ILE A 47 113.133 13.574 11.579 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.742 13.885 9.966 1.00 0.00 H new ATOM 0 HG21 ILE A 47 113.114 10.646 11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.829 10.369 12.152 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.956 11.723 12.908 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.359 13.197 9.884 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.384 11.990 9.072 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.765 11.674 10.710 1.00 0.00 H new ATOM 737 N VAL A 48 117.382 11.471 12.527 1.00 0.00 N ATOM 738 CA VAL A 48 118.464 10.458 12.751 1.00 0.00 C ATOM 739 C VAL A 48 117.839 9.055 12.808 1.00 0.00 C ATOM 740 O VAL A 48 116.914 8.809 13.553 1.00 0.00 O ATOM 741 CB VAL A 48 119.112 10.848 14.095 1.00 0.00 C ATOM 742 CG1 VAL A 48 120.242 9.865 14.438 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.674 12.278 14.012 1.00 0.00 C ATOM 0 H VAL A 48 117.052 11.946 13.367 1.00 0.00 H new ATOM 0 HA VAL A 48 119.207 10.441 11.954 1.00 0.00 H new ATOM 0 HB VAL A 48 118.354 10.807 14.877 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.694 10.148 15.389 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.836 8.856 14.515 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.999 9.893 13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 48 120.130 12.546 14.965 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.425 12.329 13.224 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.866 12.974 13.788 1.00 0.00 H new ATOM 753 N THR A 49 118.350 8.135 12.023 1.00 0.00 N ATOM 754 CA THR A 49 117.656 6.814 11.828 1.00 0.00 C ATOM 755 C THR A 49 117.453 6.075 13.154 1.00 0.00 C ATOM 756 O THR A 49 116.561 5.258 13.283 1.00 0.00 O ATOM 757 CB THR A 49 118.583 6.004 10.915 1.00 0.00 C ATOM 758 OG1 THR A 49 119.873 5.927 11.505 1.00 0.00 O ATOM 759 CG2 THR A 49 118.685 6.678 9.545 1.00 0.00 C ATOM 0 H THR A 49 119.222 8.240 11.505 1.00 0.00 H new ATOM 0 HA THR A 49 116.662 6.956 11.403 1.00 0.00 H new ATOM 0 HB THR A 49 118.177 5.000 10.788 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.416 6.685 11.204 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.345 6.097 8.902 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.695 6.734 9.093 1.00 0.00 H new ATOM 0 HG23 THR A 49 119.087 7.684 9.664 1.00 0.00 H new ATOM 767 N LYS A 50 118.274 6.352 14.135 1.00 0.00 N ATOM 768 CA LYS A 50 118.180 5.615 15.440 1.00 0.00 C ATOM 769 C LYS A 50 116.782 5.756 16.053 1.00 0.00 C ATOM 770 O LYS A 50 116.346 4.906 16.808 1.00 0.00 O ATOM 771 CB LYS A 50 119.231 6.258 16.349 1.00 0.00 C ATOM 772 CG LYS A 50 119.398 5.416 17.616 1.00 0.00 C ATOM 773 CD LYS A 50 120.183 4.145 17.286 1.00 0.00 C ATOM 774 CE LYS A 50 120.426 3.346 18.569 1.00 0.00 C ATOM 775 NZ LYS A 50 121.484 2.361 18.213 1.00 0.00 N ATOM 0 H LYS A 50 119.009 7.058 14.092 1.00 0.00 H new ATOM 0 HA LYS A 50 118.354 4.547 15.307 1.00 0.00 H new ATOM 0 HB2 LYS A 50 120.183 6.335 15.823 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.928 7.272 16.611 1.00 0.00 H new ATOM 0 HG2 LYS A 50 119.921 5.991 18.381 1.00 0.00 H new ATOM 0 HG3 LYS A 50 118.421 5.157 18.024 1.00 0.00 H new ATOM 0 HD2 LYS A 50 119.630 3.540 16.568 1.00 0.00 H new ATOM 0 HD3 LYS A 50 121.134 4.403 16.820 1.00 0.00 H new ATOM 0 HE2 LYS A 50 120.748 3.995 19.383 1.00 0.00 H new ATOM 0 HE3 LYS A 50 119.516 2.846 18.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 121.706 1.775 19.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 121.146 1.753 17.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 122.340 2.866 17.907 1.00 0.00 H new ATOM 789 N ASP A 51 116.078 6.816 15.736 1.00 0.00 N ATOM 790 CA ASP A 51 114.676 6.955 16.245 1.00 0.00 C ATOM 791 C ASP A 51 113.675 6.218 15.335 1.00 0.00 C ATOM 792 O ASP A 51 112.477 6.309 15.538 1.00 0.00 O ATOM 793 CB ASP A 51 114.382 8.466 16.289 1.00 0.00 C ATOM 794 CG ASP A 51 114.510 9.101 14.896 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.962 8.554 13.955 1.00 0.00 O ATOM 796 OD2 ASP A 51 115.153 10.134 14.800 1.00 0.00 O ATOM 0 H ASP A 51 116.409 7.584 15.153 1.00 0.00 H new ATOM 0 HA ASP A 51 114.572 6.506 17.233 1.00 0.00 H new ATOM 0 HB2 ASP A 51 113.376 8.632 16.675 1.00 0.00 H new ATOM 0 HB3 ASP A 51 115.072 8.953 16.978 1.00 0.00 H new ATOM 801 N ILE A 52 114.145 5.491 14.340 1.00 0.00 N ATOM 802 CA ILE A 52 113.203 4.679 13.498 1.00 0.00 C ATOM 803 C ILE A 52 112.763 3.429 14.268 1.00 0.00 C ATOM 804 O ILE A 52 113.580 2.646 14.715 1.00 0.00 O ATOM 805 CB ILE A 52 113.991 4.294 12.232 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.369 5.562 11.455 1.00 0.00 C ATOM 807 CG2 ILE A 52 113.130 3.393 11.334 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.297 5.197 10.289 1.00 0.00 C ATOM 0 H ILE A 52 115.129 5.426 14.079 1.00 0.00 H new ATOM 0 HA ILE A 52 112.301 5.235 13.243 1.00 0.00 H new ATOM 0 HB ILE A 52 114.894 3.759 12.526 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.470 6.050 11.078 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.864 6.272 12.118 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.694 3.125 10.440 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.860 2.488 11.878 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.224 3.926 11.045 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.563 6.100 9.740 1.00 0.00 H new ATOM 0 HD12 ILE A 52 116.201 4.728 10.677 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.786 4.503 9.621 1.00 0.00 H new ATOM 820 N LYS A 53 111.475 3.246 14.419 1.00 0.00 N ATOM 821 CA LYS A 53 110.955 1.969 14.997 1.00 0.00 C ATOM 822 C LYS A 53 110.643 0.974 13.872 1.00 0.00 C ATOM 823 O LYS A 53 110.719 -0.224 14.064 1.00 0.00 O ATOM 824 CB LYS A 53 109.677 2.355 15.748 1.00 0.00 C ATOM 825 CG LYS A 53 109.172 1.154 16.551 1.00 0.00 C ATOM 826 CD LYS A 53 107.869 1.526 17.261 1.00 0.00 C ATOM 827 CE LYS A 53 107.434 0.373 18.168 1.00 0.00 C ATOM 828 NZ LYS A 53 108.244 0.532 19.408 1.00 0.00 N ATOM 0 H LYS A 53 110.760 3.928 14.166 1.00 0.00 H new ATOM 0 HA LYS A 53 111.678 1.490 15.657 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.874 3.194 16.415 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.913 2.681 15.043 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.008 0.304 15.889 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.922 0.850 17.281 1.00 0.00 H new ATOM 0 HD2 LYS A 53 108.009 2.433 17.850 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.091 1.739 16.528 1.00 0.00 H new ATOM 0 HE2 LYS A 53 106.367 0.422 18.385 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.619 -0.592 17.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.624 -0.393 19.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 109.030 1.188 19.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 107.644 0.912 20.168 1.00 0.00 H new ATOM 842 N ASP A 54 110.300 1.468 12.702 1.00 0.00 N ATOM 843 CA ASP A 54 109.946 0.561 11.560 1.00 0.00 C ATOM 844 C ASP A 54 109.982 1.337 10.240 1.00 0.00 C ATOM 845 O ASP A 54 109.809 2.543 10.215 1.00 0.00 O ATOM 846 CB ASP A 54 108.524 0.065 11.850 1.00 0.00 C ATOM 847 CG ASP A 54 108.570 -1.227 12.670 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.421 -2.056 12.388 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.753 -1.367 13.565 1.00 0.00 O ATOM 0 H ASP A 54 110.250 2.464 12.489 1.00 0.00 H new ATOM 0 HA ASP A 54 110.648 -0.267 11.467 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.969 0.829 12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.994 -0.109 10.914 1.00 0.00 H new ATOM 854 N LEU A 55 110.206 0.650 9.144 1.00 0.00 N ATOM 855 CA LEU A 55 110.275 1.335 7.815 1.00 0.00 C ATOM 856 C LEU A 55 109.433 0.582 6.779 1.00 0.00 C ATOM 857 O LEU A 55 109.260 -0.620 6.864 1.00 0.00 O ATOM 858 CB LEU A 55 111.754 1.294 7.419 1.00 0.00 C ATOM 859 CG LEU A 55 112.575 2.155 8.380 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.063 1.885 8.161 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.286 3.635 8.116 1.00 0.00 C ATOM 0 H LEU A 55 110.344 -0.360 9.114 1.00 0.00 H new ATOM 0 HA LEU A 55 109.889 2.353 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.116 0.266 7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.876 1.656 6.398 1.00 0.00 H new ATOM 0 HG LEU A 55 112.305 1.908 9.407 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.649 2.498 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.273 0.832 8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.330 2.132 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.871 4.248 8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.555 3.881 7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.225 3.832 8.270 1.00 0.00 H new ATOM 873 N ARG A 56 108.908 1.287 5.804 1.00 0.00 N ATOM 874 CA ARG A 56 108.171 0.614 4.691 1.00 0.00 C ATOM 875 C ARG A 56 108.277 1.450 3.411 1.00 0.00 C ATOM 876 O ARG A 56 108.308 2.664 3.461 1.00 0.00 O ATOM 877 CB ARG A 56 106.712 0.523 5.165 1.00 0.00 C ATOM 878 CG ARG A 56 106.119 1.930 5.333 1.00 0.00 C ATOM 879 CD ARG A 56 104.677 1.828 5.840 1.00 0.00 C ATOM 880 NE ARG A 56 104.767 1.176 7.188 1.00 0.00 N ATOM 881 CZ ARG A 56 103.711 0.629 7.759 1.00 0.00 C ATOM 882 NH1 ARG A 56 102.532 0.635 7.180 1.00 0.00 N ATOM 883 NH2 ARG A 56 103.841 0.068 8.930 1.00 0.00 N ATOM 0 H ARG A 56 108.960 2.303 5.733 1.00 0.00 H new ATOM 0 HA ARG A 56 108.578 -0.371 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.123 -0.044 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.663 -0.016 6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.721 2.507 6.035 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.143 2.461 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.216 2.813 5.911 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.063 1.238 5.160 1.00 0.00 H new ATOM 0 HE ARG A 56 105.664 1.155 7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.415 1.070 6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.733 0.204 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.750 0.056 9.392 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.033 -0.359 9.384 1.00 0.00 H new ATOM 897 N ILE A 57 108.336 0.811 2.272 1.00 0.00 N ATOM 898 CA ILE A 57 108.302 1.569 0.983 1.00 0.00 C ATOM 899 C ILE A 57 106.847 1.815 0.561 1.00 0.00 C ATOM 900 O ILE A 57 106.029 0.914 0.590 1.00 0.00 O ATOM 901 CB ILE A 57 109.018 0.688 -0.052 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.433 0.338 0.437 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.123 1.458 -1.371 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.025 -0.761 -0.450 1.00 0.00 C ATOM 0 H ILE A 57 108.406 -0.202 2.177 1.00 0.00 H new ATOM 0 HA ILE A 57 108.787 2.541 1.075 1.00 0.00 H new ATOM 0 HB ILE A 57 108.451 -0.232 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.068 1.224 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.398 0.003 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.630 0.841 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.123 1.707 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.690 2.375 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.028 -1.008 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.394 -1.649 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.075 -0.410 -1.481 1.00 0.00 H new ATOM 916 N LEU A 58 106.523 3.025 0.172 1.00 0.00 N ATOM 917 CA LEU A 58 105.115 3.337 -0.229 1.00 0.00 C ATOM 918 C LEU A 58 104.880 2.934 -1.694 1.00 0.00 C ATOM 919 O LEU A 58 105.826 2.733 -2.431 1.00 0.00 O ATOM 920 CB LEU A 58 104.964 4.850 -0.059 1.00 0.00 C ATOM 921 CG LEU A 58 104.863 5.191 1.429 1.00 0.00 C ATOM 922 CD1 LEU A 58 105.007 6.701 1.616 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.500 4.742 1.964 1.00 0.00 C ATOM 0 H LEU A 58 107.173 3.809 0.115 1.00 0.00 H new ATOM 0 HA LEU A 58 104.390 2.792 0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.817 5.363 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 58 104.074 5.198 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 58 105.656 4.678 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.935 6.945 2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.975 7.024 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.213 7.212 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.427 4.985 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.708 5.256 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.393 3.666 1.830 1.00 0.00 H new ATOM 1736 N SER B 257 111.858 -4.688 2.772 1.00 0.00 N ATOM 1737 CA SER B 257 111.677 -3.507 3.684 1.00 0.00 C ATOM 1738 C SER B 257 112.224 -3.822 5.081 1.00 0.00 C ATOM 1739 O SER B 257 112.763 -2.965 5.758 1.00 0.00 O ATOM 1740 CB SER B 257 110.166 -3.283 3.753 1.00 0.00 C ATOM 1741 OG SER B 257 109.887 -2.243 4.681 1.00 0.00 O ATOM 0 HA SER B 257 112.209 -2.628 3.320 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.780 -3.020 2.768 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.664 -4.202 4.057 1.00 0.00 H new ATOM 0 HG SER B 257 109.672 -2.633 5.554 1.00 0.00 H new ATOM 1747 N SER B 258 112.084 -5.053 5.506 1.00 0.00 N ATOM 1748 CA SER B 258 112.608 -5.459 6.849 1.00 0.00 C ATOM 1749 C SER B 258 114.141 -5.425 6.853 1.00 0.00 C ATOM 1750 O SER B 258 114.759 -5.159 7.866 1.00 0.00 O ATOM 1751 CB SER B 258 112.104 -6.886 7.072 1.00 0.00 C ATOM 1752 OG SER B 258 110.689 -6.911 6.940 1.00 0.00 O ATOM 0 H SER B 258 111.628 -5.798 4.979 1.00 0.00 H new ATOM 0 HA SER B 258 112.271 -4.786 7.637 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.560 -7.562 6.349 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.394 -7.236 8.063 1.00 0.00 H new ATOM 0 HG SER B 258 110.363 -7.825 7.081 1.00 0.00 H new ATOM 1758 N GLN B 259 114.754 -5.693 5.722 1.00 0.00 N ATOM 1759 CA GLN B 259 116.253 -5.657 5.640 1.00 0.00 C ATOM 1760 C GLN B 259 116.772 -4.249 5.960 1.00 0.00 C ATOM 1761 O GLN B 259 117.798 -4.089 6.595 1.00 0.00 O ATOM 1762 CB GLN B 259 116.591 -6.034 4.194 1.00 0.00 C ATOM 1763 CG GLN B 259 118.099 -6.258 4.061 1.00 0.00 C ATOM 1764 CD GLN B 259 118.458 -6.445 2.585 1.00 0.00 C ATOM 1765 OE1 GLN B 259 118.104 -5.633 1.754 1.00 0.00 O ATOM 1766 NE2 GLN B 259 119.152 -7.489 2.223 1.00 0.00 N ATOM 0 H GLN B 259 114.281 -5.935 4.851 1.00 0.00 H new ATOM 0 HA GLN B 259 116.715 -6.338 6.355 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.052 -6.937 3.908 1.00 0.00 H new ATOM 0 HB3 GLN B 259 116.270 -5.243 3.517 1.00 0.00 H new ATOM 0 HG2 GLN B 259 118.642 -5.407 4.474 1.00 0.00 H new ATOM 0 HG3 GLN B 259 118.399 -7.136 4.633 1.00 0.00 H new ATOM 0 HE21 GLN B 259 119.449 -8.171 2.921 1.00 0.00 H new ATOM 0 HE22 GLN B 259 119.397 -7.623 1.242 1.00 0.00 H new ATOM 1775 N LEU B 260 116.066 -3.233 5.522 1.00 0.00 N ATOM 1776 CA LEU B 260 116.491 -1.827 5.825 1.00 0.00 C ATOM 1777 C LEU B 260 116.391 -1.554 7.328 1.00 0.00 C ATOM 1778 O LEU B 260 117.264 -0.941 7.913 1.00 0.00 O ATOM 1779 CB LEU B 260 115.520 -0.930 5.053 1.00 0.00 C ATOM 1780 CG LEU B 260 115.822 -1.019 3.557 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.620 -0.504 2.761 1.00 0.00 C ATOM 1782 CD2 LEU B 260 117.049 -0.162 3.234 1.00 0.00 C ATOM 0 H LEU B 260 115.214 -3.316 4.968 1.00 0.00 H new ATOM 0 HA LEU B 260 117.526 -1.645 5.535 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.492 -1.238 5.246 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.613 0.102 5.393 1.00 0.00 H new ATOM 0 HG LEU B 260 116.019 -2.057 3.288 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.836 -0.568 1.694 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.744 -1.111 2.991 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.423 0.534 3.030 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.266 -0.224 2.168 1.00 0.00 H new ATOM 0 HD22 LEU B 260 116.850 0.875 3.504 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.906 -0.526 3.800 1.00 0.00 H new ATOM 1794 N LEU B 261 115.330 -2.007 7.952 1.00 0.00 N ATOM 1795 CA LEU B 261 115.199 -1.839 9.435 1.00 0.00 C ATOM 1796 C LEU B 261 116.211 -2.739 10.149 1.00 0.00 C ATOM 1797 O LEU B 261 116.766 -2.373 11.170 1.00 0.00 O ATOM 1798 CB LEU B 261 113.764 -2.261 9.770 1.00 0.00 C ATOM 1799 CG LEU B 261 113.419 -1.830 11.198 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.287 -0.306 11.258 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.094 -2.469 11.616 1.00 0.00 C ATOM 0 H LEU B 261 114.550 -2.485 7.500 1.00 0.00 H new ATOM 0 HA LEU B 261 115.396 -0.816 9.755 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.067 -1.808 9.065 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.660 -3.341 9.671 1.00 0.00 H new ATOM 0 HG LEU B 261 114.211 -2.153 11.874 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.041 -0.002 12.275 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.230 0.153 10.960 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.496 0.018 10.582 1.00 0.00 H new ATOM 0 HD21 LEU B 261 111.847 -2.163 12.633 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.304 -2.146 10.938 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.185 -3.554 11.576 1.00 0.00 H new ATOM 1813 N SER B 262 116.450 -3.916 9.617 1.00 0.00 N ATOM 1814 CA SER B 262 117.483 -4.828 10.211 1.00 0.00 C ATOM 1815 C SER B 262 118.871 -4.181 10.150 1.00 0.00 C ATOM 1816 O SER B 262 119.673 -4.328 11.055 1.00 0.00 O ATOM 1817 CB SER B 262 117.451 -6.093 9.351 1.00 0.00 C ATOM 1818 OG SER B 262 116.148 -6.659 9.396 1.00 0.00 O ATOM 0 H SER B 262 115.973 -4.286 8.795 1.00 0.00 H new ATOM 0 HA SER B 262 117.277 -5.042 11.260 1.00 0.00 H new ATOM 0 HB2 SER B 262 117.721 -5.854 8.322 1.00 0.00 H new ATOM 0 HB3 SER B 262 118.185 -6.812 9.714 1.00 0.00 H new ATOM 0 HG SER B 262 115.629 -6.346 8.626 1.00 0.00 H new ATOM 1824 N LEU B 263 119.154 -3.464 9.087 1.00 0.00 N ATOM 1825 CA LEU B 263 120.490 -2.791 8.956 1.00 0.00 C ATOM 1826 C LEU B 263 120.653 -1.723 10.043 1.00 0.00 C ATOM 1827 O LEU B 263 121.702 -1.598 10.647 1.00 0.00 O ATOM 1828 CB LEU B 263 120.487 -2.141 7.569 1.00 0.00 C ATOM 1829 CG LEU B 263 120.710 -3.213 6.500 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.158 -2.722 5.160 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.210 -3.489 6.360 1.00 0.00 C ATOM 0 H LEU B 263 118.518 -3.315 8.304 1.00 0.00 H new ATOM 0 HA LEU B 263 121.313 -3.496 9.070 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.538 -1.633 7.396 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.270 -1.385 7.509 1.00 0.00 H new ATOM 0 HG LEU B 263 120.195 -4.128 6.792 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.317 -3.486 4.399 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.091 -2.523 5.257 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.672 -1.806 4.868 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.370 -4.253 5.599 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.723 -2.573 6.068 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.606 -3.839 7.313 1.00 0.00 H new