USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= -0.758 K(o=-0.64,f=-9.9!) USER MOD Set 1.2: A 43 SER OG : rot 72:sc= 0.12 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.751 K(o=-0.75,f=-9.8!) USER MOD Set 2.2: A 19 SER OG : rot -170:sc= 0 USER MOD Single : A 2 SER OG : rot 28:sc= 0.111 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.5 USER MOD Single : A 9 SER OG : rot -117:sc= -2.24! USER MOD Single : A 10 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.9!) USER MOD Single : A 16 ASN : amide:sc= -0.968 K(o=-0.97,f=-1.8) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -150:sc= -2.34 USER MOD Single : A 27 ASN : amide:sc=-0.00023 X(o=-0.00023,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.351 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0825 X(o=-0.082,f=0) USER MOD Single : A 33 SER OG : rot -44:sc= 0.153 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.71) 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 8:sc= 0.869 USER MOD Single : A 49 THR OG1 : rot -81:sc= 0.0366 USER MOD Single : A 50 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000593) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 257 SER OG : rot 30:sc= 0.313 USER MOD Single : B 258 SER OG : rot 180:sc= -0.0135 USER MOD Single : B 259 GLN : amide:sc=-0.00362 K(o=-0.0036,f=-0.81) USER MOD Single : B 262 SER OG : rot -32:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.067 -1.833 0.164 1.00 0.00 N ATOM 45 CA SER A 2 123.302 -0.737 1.155 1.00 0.00 C ATOM 46 C SER A 2 122.235 0.349 0.999 1.00 0.00 C ATOM 47 O SER A 2 121.449 0.325 0.070 1.00 0.00 O ATOM 48 CB SER A 2 124.686 -0.184 0.815 1.00 0.00 C ATOM 49 OG SER A 2 125.661 -1.195 1.026 1.00 0.00 O ATOM 0 HA SER A 2 123.249 -1.091 2.185 1.00 0.00 H new ATOM 0 HB2 SER A 2 124.712 0.151 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 2 124.906 0.684 1.436 1.00 0.00 H new ATOM 0 HG SER A 2 125.250 -2.076 0.905 1.00 0.00 H new ATOM 55 N VAL A 3 122.206 1.300 1.902 1.00 0.00 N ATOM 56 CA VAL A 3 121.168 2.381 1.834 1.00 0.00 C ATOM 57 C VAL A 3 121.393 3.259 0.593 1.00 0.00 C ATOM 58 O VAL A 3 120.462 3.837 0.065 1.00 0.00 O ATOM 59 CB VAL A 3 121.341 3.200 3.125 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.335 4.359 3.157 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.100 2.300 4.341 1.00 0.00 C ATOM 0 H VAL A 3 122.856 1.376 2.684 1.00 0.00 H new ATOM 0 HA VAL A 3 120.160 1.975 1.753 1.00 0.00 H new ATOM 0 HB VAL A 3 122.355 3.600 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.468 4.931 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.501 5.009 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.321 3.962 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.223 2.882 5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.088 1.897 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 3 121.817 1.479 4.334 1.00 0.00 H new ATOM 71 N ALA A 4 122.619 3.365 0.126 1.00 0.00 N ATOM 72 CA ALA A 4 122.910 4.230 -1.070 1.00 0.00 C ATOM 73 C ALA A 4 122.030 3.816 -2.256 1.00 0.00 C ATOM 74 O ALA A 4 121.658 4.631 -3.080 1.00 0.00 O ATOM 75 CB ALA A 4 124.386 3.987 -1.396 1.00 0.00 C ATOM 0 H ALA A 4 123.431 2.890 0.521 1.00 0.00 H new ATOM 0 HA ALA A 4 122.704 5.281 -0.870 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.671 4.587 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 4 124.999 4.270 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.540 2.931 -1.620 1.00 0.00 H new ATOM 81 N ASP A 5 121.701 2.550 -2.338 1.00 0.00 N ATOM 82 CA ASP A 5 120.751 2.080 -3.398 1.00 0.00 C ATOM 83 C ASP A 5 119.338 2.610 -3.119 1.00 0.00 C ATOM 84 O ASP A 5 118.567 2.847 -4.031 1.00 0.00 O ATOM 85 CB ASP A 5 120.772 0.549 -3.319 1.00 0.00 C ATOM 86 CG ASP A 5 122.156 0.031 -3.718 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.711 0.548 -4.675 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.639 -0.876 -3.061 1.00 0.00 O ATOM 0 H ASP A 5 122.049 1.820 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 5 121.038 2.437 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.529 0.224 -2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.012 0.131 -3.979 1.00 0.00 H new ATOM 93 N PHE A 6 118.998 2.797 -1.865 1.00 0.00 N ATOM 94 CA PHE A 6 117.623 3.271 -1.509 1.00 0.00 C ATOM 95 C PHE A 6 117.582 4.798 -1.325 1.00 0.00 C ATOM 96 O PHE A 6 116.596 5.336 -0.857 1.00 0.00 O ATOM 97 CB PHE A 6 117.288 2.566 -0.195 1.00 0.00 C ATOM 98 CG PHE A 6 117.090 1.075 -0.345 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.192 0.197 -0.206 1.00 0.00 C ATOM 100 CD2 PHE A 6 115.801 0.556 -0.623 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.006 -1.200 -0.346 1.00 0.00 C ATOM 102 CE2 PHE A 6 115.616 -0.841 -0.764 1.00 0.00 C ATOM 103 CZ PHE A 6 116.718 -1.719 -0.625 1.00 0.00 C ATOM 0 H PHE A 6 119.617 2.641 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 6 116.907 3.043 -2.299 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.090 2.748 0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.382 3.005 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.174 0.592 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 6 114.960 1.226 -0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 6 118.847 -1.870 -0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 6 114.634 -1.237 -0.978 1.00 0.00 H new ATOM 0 HZ PHE A 6 116.577 -2.784 -0.732 1.00 0.00 H new ATOM 113 N TYR A 7 118.636 5.503 -1.683 1.00 0.00 N ATOM 114 CA TYR A 7 118.586 7.004 -1.647 1.00 0.00 C ATOM 115 C TYR A 7 117.605 7.520 -2.706 1.00 0.00 C ATOM 116 O TYR A 7 117.611 7.071 -3.838 1.00 0.00 O ATOM 117 CB TYR A 7 120.013 7.464 -1.993 1.00 0.00 C ATOM 118 CG TYR A 7 120.934 7.652 -0.798 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.734 6.914 0.398 1.00 0.00 C ATOM 120 CD2 TYR A 7 122.015 8.565 -0.888 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.616 7.091 1.493 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.890 8.743 0.208 1.00 0.00 C ATOM 123 CZ TYR A 7 122.694 8.006 1.396 1.00 0.00 C ATOM 124 OH TYR A 7 123.557 8.176 2.459 1.00 0.00 O ATOM 0 H TYR A 7 119.522 5.106 -1.996 1.00 0.00 H new ATOM 0 HA TYR A 7 118.255 7.379 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.461 6.734 -2.667 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.953 8.406 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.911 6.219 0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.171 9.127 -1.797 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.467 6.528 2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.709 9.443 0.136 1.00 0.00 H new ATOM 0 HH TYR A 7 124.239 8.840 2.224 1.00 0.00 H new ATOM 134 N GLY A 8 116.765 8.457 -2.342 1.00 0.00 N ATOM 135 CA GLY A 8 115.747 8.983 -3.304 1.00 0.00 C ATOM 136 C GLY A 8 114.504 8.075 -3.337 1.00 0.00 C ATOM 137 O GLY A 8 113.559 8.353 -4.051 1.00 0.00 O ATOM 0 H GLY A 8 116.740 8.882 -1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.457 9.994 -3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.182 9.048 -4.301 1.00 0.00 H new ATOM 141 N SER A 9 114.490 6.997 -2.580 1.00 0.00 N ATOM 142 CA SER A 9 113.270 6.127 -2.532 1.00 0.00 C ATOM 143 C SER A 9 112.195 6.758 -1.640 1.00 0.00 C ATOM 144 O SER A 9 112.487 7.274 -0.576 1.00 0.00 O ATOM 145 CB SER A 9 113.746 4.801 -1.934 1.00 0.00 C ATOM 146 OG SER A 9 114.078 4.992 -0.564 1.00 0.00 O ATOM 0 H SER A 9 115.267 6.686 -1.998 1.00 0.00 H new ATOM 0 HA SER A 9 112.826 5.995 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 9 112.966 4.046 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.614 4.433 -2.482 1.00 0.00 H new ATOM 0 HG SER A 9 115.032 4.810 -0.430 1.00 0.00 H new ATOM 152 N ASN A 10 110.956 6.720 -2.068 1.00 0.00 N ATOM 153 CA ASN A 10 109.834 7.196 -1.197 1.00 0.00 C ATOM 154 C ASN A 10 109.379 6.069 -0.272 1.00 0.00 C ATOM 155 O ASN A 10 108.939 5.025 -0.720 1.00 0.00 O ATOM 156 CB ASN A 10 108.710 7.582 -2.162 1.00 0.00 C ATOM 157 CG ASN A 10 107.710 8.496 -1.448 1.00 0.00 C ATOM 158 OD1 ASN A 10 107.461 8.343 -0.269 1.00 0.00 O ATOM 159 ND2 ASN A 10 107.122 9.448 -2.120 1.00 0.00 N ATOM 0 H ASN A 10 110.672 6.379 -2.986 1.00 0.00 H new ATOM 0 HA ASN A 10 110.129 8.034 -0.565 1.00 0.00 H new ATOM 0 HB2 ASN A 10 109.124 8.090 -3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 10 108.205 6.687 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 10 106.454 10.063 -1.655 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.331 9.577 -3.110 1.00 0.00 H new ATOM 166 N VAL A 11 109.481 6.278 1.014 1.00 0.00 N ATOM 167 CA VAL A 11 109.062 5.227 1.989 1.00 0.00 C ATOM 168 C VAL A 11 108.400 5.889 3.198 1.00 0.00 C ATOM 169 O VAL A 11 108.547 7.079 3.414 1.00 0.00 O ATOM 170 CB VAL A 11 110.352 4.489 2.395 1.00 0.00 C ATOM 171 CG1 VAL A 11 110.978 3.824 1.163 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.361 5.474 3.004 1.00 0.00 C ATOM 0 H VAL A 11 109.838 7.136 1.434 1.00 0.00 H new ATOM 0 HA VAL A 11 108.338 4.532 1.565 1.00 0.00 H new ATOM 0 HB VAL A 11 110.100 3.730 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 11 111.890 3.303 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.273 3.110 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.217 4.585 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.267 4.938 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.607 6.243 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 11 110.926 5.941 3.887 1.00 0.00 H new ATOM 182 N GLU A 12 107.674 5.135 3.986 1.00 0.00 N ATOM 183 CA GLU A 12 107.039 5.724 5.201 1.00 0.00 C ATOM 184 C GLU A 12 107.732 5.202 6.461 1.00 0.00 C ATOM 185 O GLU A 12 107.880 4.010 6.648 1.00 0.00 O ATOM 186 CB GLU A 12 105.585 5.248 5.152 1.00 0.00 C ATOM 187 CG GLU A 12 104.775 5.960 6.239 1.00 0.00 C ATOM 188 CD GLU A 12 103.294 5.609 6.089 1.00 0.00 C ATOM 189 OE1 GLU A 12 102.998 4.445 5.869 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.478 6.510 6.197 1.00 0.00 O ATOM 0 H GLU A 12 107.495 4.141 3.840 1.00 0.00 H new ATOM 0 HA GLU A 12 107.113 6.811 5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.157 5.455 4.171 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.540 4.169 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.131 5.663 7.225 1.00 0.00 H new ATOM 0 HG3 GLU A 12 104.913 7.038 6.162 1.00 0.00 H new ATOM 197 N VAL A 13 108.160 6.090 7.322 1.00 0.00 N ATOM 198 CA VAL A 13 108.889 5.660 8.553 1.00 0.00 C ATOM 199 C VAL A 13 107.985 5.826 9.780 1.00 0.00 C ATOM 200 O VAL A 13 107.473 6.899 10.039 1.00 0.00 O ATOM 201 CB VAL A 13 110.105 6.597 8.648 1.00 0.00 C ATOM 202 CG1 VAL A 13 110.964 6.214 9.859 1.00 0.00 C ATOM 203 CG2 VAL A 13 110.954 6.482 7.374 1.00 0.00 C ATOM 0 H VAL A 13 108.035 7.098 7.225 1.00 0.00 H new ATOM 0 HA VAL A 13 109.188 4.613 8.513 1.00 0.00 H new ATOM 0 HB VAL A 13 109.751 7.622 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.824 6.881 9.921 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.370 6.302 10.769 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.310 5.186 9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.813 7.148 7.448 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.300 5.455 7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.352 6.761 6.509 1.00 0.00 H new ATOM 213 N LEU A 14 107.791 4.771 10.533 1.00 0.00 N ATOM 214 CA LEU A 14 107.028 4.886 11.811 1.00 0.00 C ATOM 215 C LEU A 14 108.007 5.055 12.976 1.00 0.00 C ATOM 216 O LEU A 14 108.919 4.266 13.146 1.00 0.00 O ATOM 217 CB LEU A 14 106.259 3.569 11.939 1.00 0.00 C ATOM 218 CG LEU A 14 105.282 3.658 13.113 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.115 4.573 12.739 1.00 0.00 C ATOM 220 CD2 LEU A 14 104.748 2.260 13.438 1.00 0.00 C ATOM 0 H LEU A 14 108.130 3.834 10.316 1.00 0.00 H new ATOM 0 HA LEU A 14 106.356 5.744 11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.717 3.361 11.016 1.00 0.00 H new ATOM 0 HB3 LEU A 14 106.954 2.744 12.093 1.00 0.00 H new ATOM 0 HG LEU A 14 105.797 4.064 13.984 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.419 4.636 13.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.493 5.568 12.506 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.599 4.168 11.868 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.052 2.322 14.274 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.233 1.855 12.566 1.00 0.00 H new ATOM 0 HD23 LEU A 14 105.578 1.606 13.705 1.00 0.00 H new ATOM 232 N LEU A 15 107.825 6.076 13.776 1.00 0.00 N ATOM 233 CA LEU A 15 108.849 6.411 14.813 1.00 0.00 C ATOM 234 C LEU A 15 108.462 5.834 16.180 1.00 0.00 C ATOM 235 O LEU A 15 107.341 5.411 16.394 1.00 0.00 O ATOM 236 CB LEU A 15 108.877 7.940 14.861 1.00 0.00 C ATOM 237 CG LEU A 15 109.429 8.488 13.543 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.193 9.998 13.480 1.00 0.00 C ATOM 239 CD2 LEU A 15 110.931 8.204 13.460 1.00 0.00 C ATOM 0 H LEU A 15 107.012 6.692 13.756 1.00 0.00 H new ATOM 0 HA LEU A 15 109.824 5.988 14.570 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.873 8.326 15.034 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.496 8.276 15.693 1.00 0.00 H new ATOM 0 HG LEU A 15 108.921 8.005 12.708 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.586 10.389 12.541 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.124 10.202 13.539 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.701 10.481 14.315 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.324 8.594 12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.439 8.687 14.295 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.101 7.128 13.505 1.00 0.00 H new ATOM 251 N ASN A 16 109.396 5.817 17.105 1.00 0.00 N ATOM 252 CA ASN A 16 109.140 5.217 18.462 1.00 0.00 C ATOM 253 C ASN A 16 107.956 5.900 19.167 1.00 0.00 C ATOM 254 O ASN A 16 107.340 5.329 20.048 1.00 0.00 O ATOM 255 CB ASN A 16 110.438 5.439 19.259 1.00 0.00 C ATOM 256 CG ASN A 16 110.768 6.936 19.343 1.00 0.00 C ATOM 257 OD1 ASN A 16 110.107 7.677 20.044 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.769 7.411 18.655 1.00 0.00 N ATOM 0 H ASN A 16 110.334 6.196 16.978 1.00 0.00 H new ATOM 0 HA ASN A 16 108.880 4.162 18.382 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.330 5.027 20.263 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.260 4.906 18.782 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.997 8.404 18.705 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.324 6.790 18.067 1.00 0.00 H new ATOM 265 N ASN A 17 107.639 7.114 18.783 1.00 0.00 N ATOM 266 CA ASN A 17 106.548 7.870 19.476 1.00 0.00 C ATOM 267 C ASN A 17 105.200 7.663 18.763 1.00 0.00 C ATOM 268 O ASN A 17 104.307 8.483 18.872 1.00 0.00 O ATOM 269 CB ASN A 17 106.983 9.346 19.425 1.00 0.00 C ATOM 270 CG ASN A 17 107.068 9.844 17.973 1.00 0.00 C ATOM 271 OD1 ASN A 17 107.165 9.059 17.050 1.00 0.00 O ATOM 272 ND2 ASN A 17 107.034 11.126 17.736 1.00 0.00 N ATOM 0 H ASN A 17 108.090 7.615 18.017 1.00 0.00 H new ATOM 0 HA ASN A 17 106.403 7.529 20.501 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.274 9.958 19.982 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.952 9.460 19.910 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.089 11.469 16.777 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.953 11.786 18.510 1.00 0.00 H new ATOM 279 N ASP A 18 105.050 6.575 18.027 1.00 0.00 N ATOM 280 CA ASP A 18 103.737 6.245 17.370 1.00 0.00 C ATOM 281 C ASP A 18 103.311 7.369 16.416 1.00 0.00 C ATOM 282 O ASP A 18 102.134 7.573 16.179 1.00 0.00 O ATOM 283 CB ASP A 18 102.713 6.081 18.506 1.00 0.00 C ATOM 284 CG ASP A 18 103.116 4.905 19.402 1.00 0.00 C ATOM 285 OD1 ASP A 18 103.529 3.890 18.865 1.00 0.00 O ATOM 286 OD2 ASP A 18 103.004 5.042 20.608 1.00 0.00 O ATOM 0 H ASP A 18 105.792 5.896 17.854 1.00 0.00 H new ATOM 0 HA ASP A 18 103.813 5.335 16.774 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.659 6.997 19.095 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.720 5.910 18.091 1.00 0.00 H new ATOM 291 N SER A 19 104.259 8.100 15.870 1.00 0.00 N ATOM 292 CA SER A 19 103.927 9.093 14.807 1.00 0.00 C ATOM 293 C SER A 19 104.357 8.549 13.443 1.00 0.00 C ATOM 294 O SER A 19 105.451 8.039 13.290 1.00 0.00 O ATOM 295 CB SER A 19 104.729 10.344 15.164 1.00 0.00 C ATOM 296 OG SER A 19 104.356 10.785 16.463 1.00 0.00 O ATOM 0 H SER A 19 105.247 8.048 16.118 1.00 0.00 H new ATOM 0 HA SER A 19 102.859 9.303 14.750 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.797 10.127 15.134 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.543 11.131 14.433 1.00 0.00 H new ATOM 0 HG SER A 19 104.746 11.668 16.633 1.00 0.00 H new ATOM 302 N LYS A 20 103.502 8.654 12.456 1.00 0.00 N ATOM 303 CA LYS A 20 103.816 8.066 11.118 1.00 0.00 C ATOM 304 C LYS A 20 104.080 9.175 10.096 1.00 0.00 C ATOM 305 O LYS A 20 103.395 10.180 10.070 1.00 0.00 O ATOM 306 CB LYS A 20 102.561 7.282 10.738 1.00 0.00 C ATOM 307 CG LYS A 20 102.890 6.300 9.613 1.00 0.00 C ATOM 308 CD LYS A 20 101.592 5.723 9.043 1.00 0.00 C ATOM 309 CE LYS A 20 100.977 4.748 10.050 1.00 0.00 C ATOM 310 NZ LYS A 20 99.581 4.534 9.575 1.00 0.00 N ATOM 0 H LYS A 20 102.598 9.123 12.520 1.00 0.00 H new ATOM 0 HA LYS A 20 104.707 7.439 11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.181 6.743 11.605 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.775 7.967 10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.452 6.805 8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 20 103.523 5.497 9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.890 6.527 8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.792 5.211 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.532 3.810 10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.992 5.161 11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.094 3.875 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.075 5.443 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 99.598 4.134 8.615 1.00 0.00 H new ATOM 324 N ALA A 21 105.071 8.994 9.256 1.00 0.00 N ATOM 325 CA ALA A 21 105.383 10.027 8.220 1.00 0.00 C ATOM 326 C ALA A 21 106.052 9.376 7.006 1.00 0.00 C ATOM 327 O ALA A 21 106.577 8.281 7.094 1.00 0.00 O ATOM 328 CB ALA A 21 106.341 11.002 8.904 1.00 0.00 C ATOM 0 H ALA A 21 105.678 8.174 9.244 1.00 0.00 H new ATOM 0 HA ALA A 21 104.486 10.528 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 21 106.617 11.792 8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 21 105.853 11.441 9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.237 10.469 9.221 1.00 0.00 H new ATOM 334 N ARG A 22 106.035 10.043 5.876 1.00 0.00 N ATOM 335 CA ARG A 22 106.667 9.469 4.648 1.00 0.00 C ATOM 336 C ARG A 22 107.388 10.564 3.859 1.00 0.00 C ATOM 337 O ARG A 22 107.047 11.728 3.954 1.00 0.00 O ATOM 338 CB ARG A 22 105.510 8.867 3.832 1.00 0.00 C ATOM 339 CG ARG A 22 104.486 9.953 3.467 1.00 0.00 C ATOM 340 CD ARG A 22 103.201 9.294 2.958 1.00 0.00 C ATOM 341 NE ARG A 22 102.551 8.717 4.176 1.00 0.00 N ATOM 342 CZ ARG A 22 101.910 9.476 5.045 1.00 0.00 C ATOM 343 NH1 ARG A 22 101.824 10.778 4.890 1.00 0.00 N ATOM 344 NH2 ARG A 22 101.351 8.922 6.086 1.00 0.00 N ATOM 0 H ARG A 22 105.610 10.962 5.752 1.00 0.00 H new ATOM 0 HA ARG A 22 107.416 8.715 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.899 8.406 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.024 8.079 4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 22 104.270 10.571 4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.897 10.612 2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 22 102.551 10.021 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 22 103.419 8.519 2.223 1.00 0.00 H new ATOM 0 HE ARG A 22 102.605 7.712 4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 22 102.259 11.225 4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 22 101.323 11.341 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 22 101.412 7.913 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 22 100.853 9.498 6.764 1.00 0.00 H new ATOM 358 N GLY A 23 108.382 10.194 3.089 1.00 0.00 N ATOM 359 CA GLY A 23 109.123 11.208 2.280 1.00 0.00 C ATOM 360 C GLY A 23 110.082 10.487 1.333 1.00 0.00 C ATOM 361 O GLY A 23 110.270 9.287 1.428 1.00 0.00 O ATOM 0 H GLY A 23 108.711 9.234 2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.423 11.821 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.676 11.881 2.935 1.00 0.00 H new ATOM 365 N VAL A 24 110.687 11.208 0.421 1.00 0.00 N ATOM 366 CA VAL A 24 111.702 10.581 -0.486 1.00 0.00 C ATOM 367 C VAL A 24 113.101 10.794 0.098 1.00 0.00 C ATOM 368 O VAL A 24 113.516 11.910 0.334 1.00 0.00 O ATOM 369 CB VAL A 24 111.559 11.312 -1.832 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.479 10.664 -2.871 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.109 11.224 -2.327 1.00 0.00 C ATOM 0 H VAL A 24 110.523 12.202 0.265 1.00 0.00 H new ATOM 0 HA VAL A 24 111.553 9.508 -0.602 1.00 0.00 H new ATOM 0 HB VAL A 24 111.834 12.358 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.375 11.184 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.513 10.729 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.204 9.617 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 24 110.018 11.744 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.832 10.178 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.446 11.687 -1.596 1.00 0.00 H new ATOM 381 N ILE A 25 113.827 9.728 0.329 1.00 0.00 N ATOM 382 CA ILE A 25 115.132 9.843 1.065 1.00 0.00 C ATOM 383 C ILE A 25 116.125 10.701 0.268 1.00 0.00 C ATOM 384 O ILE A 25 116.190 10.625 -0.944 1.00 0.00 O ATOM 385 CB ILE A 25 115.645 8.397 1.217 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.665 7.598 2.086 1.00 0.00 C ATOM 387 CG2 ILE A 25 117.032 8.390 1.880 1.00 0.00 C ATOM 388 CD1 ILE A 25 115.009 6.106 2.018 1.00 0.00 C ATOM 0 H ILE A 25 113.576 8.782 0.041 1.00 0.00 H new ATOM 0 HA ILE A 25 115.014 10.328 2.034 1.00 0.00 H new ATOM 0 HB ILE A 25 115.721 7.944 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.713 7.945 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.644 7.761 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.382 7.363 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.733 8.953 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.966 8.849 2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.310 5.543 2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.938 5.763 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 25 116.024 5.950 2.383 1.00 0.00 H new ATOM 400 N THR A 26 116.893 11.515 0.952 1.00 0.00 N ATOM 401 CA THR A 26 117.880 12.393 0.255 1.00 0.00 C ATOM 402 C THR A 26 119.308 12.118 0.741 1.00 0.00 C ATOM 403 O THR A 26 120.257 12.361 0.017 1.00 0.00 O ATOM 404 CB THR A 26 117.464 13.827 0.591 1.00 0.00 C ATOM 405 OG1 THR A 26 117.172 13.929 1.978 1.00 0.00 O ATOM 406 CG2 THR A 26 116.226 14.207 -0.223 1.00 0.00 C ATOM 0 H THR A 26 116.877 11.608 1.968 1.00 0.00 H new ATOM 0 HA THR A 26 117.881 12.211 -0.820 1.00 0.00 H new ATOM 0 HB THR A 26 118.281 14.505 0.344 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.493 14.621 2.119 1.00 0.00 H new ATOM 0 HG21 THR A 26 115.932 15.228 0.018 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.454 14.136 -1.287 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.409 13.527 0.019 1.00 0.00 H new ATOM 414 N ASN A 27 119.488 11.614 1.951 1.00 0.00 N ATOM 415 CA ASN A 27 120.883 11.320 2.419 1.00 0.00 C ATOM 416 C ASN A 27 120.892 10.386 3.635 1.00 0.00 C ATOM 417 O ASN A 27 119.903 10.225 4.319 1.00 0.00 O ATOM 418 CB ASN A 27 121.476 12.682 2.793 1.00 0.00 C ATOM 419 CG ASN A 27 122.989 12.667 2.564 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.757 12.696 3.505 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.452 12.623 1.345 1.00 0.00 N ATOM 0 H ASN A 27 118.745 11.400 2.616 1.00 0.00 H new ATOM 0 HA ASN A 27 121.456 10.811 1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 27 121.016 13.467 2.193 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.259 12.910 3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.459 12.613 1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 27 122.807 12.599 0.555 1.00 0.00 H new ATOM 428 N PHE A 28 122.024 9.771 3.889 1.00 0.00 N ATOM 429 CA PHE A 28 122.240 9.028 5.172 1.00 0.00 C ATOM 430 C PHE A 28 123.726 9.072 5.536 1.00 0.00 C ATOM 431 O PHE A 28 124.580 8.756 4.728 1.00 0.00 O ATOM 432 CB PHE A 28 121.790 7.588 4.904 1.00 0.00 C ATOM 433 CG PHE A 28 121.971 6.667 6.091 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.128 6.791 7.221 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.990 5.681 6.074 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.301 5.930 8.333 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.163 4.821 7.185 1.00 0.00 C ATOM 438 CZ PHE A 28 122.319 4.946 8.314 1.00 0.00 C ATOM 0 H PHE A 28 122.819 9.753 3.251 1.00 0.00 H new ATOM 0 HA PHE A 28 121.682 9.462 6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.739 7.592 4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.352 7.192 4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.352 7.542 7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.635 5.586 5.213 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.657 6.024 9.195 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.939 4.070 7.171 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.451 4.290 9.162 1.00 0.00 H new ATOM 448 N ASP A 29 124.034 9.461 6.748 1.00 0.00 N ATOM 449 CA ASP A 29 125.461 9.566 7.169 1.00 0.00 C ATOM 450 C ASP A 29 125.842 8.314 7.951 1.00 0.00 C ATOM 451 O ASP A 29 125.132 7.913 8.847 1.00 0.00 O ATOM 452 CB ASP A 29 125.523 10.803 8.066 1.00 0.00 C ATOM 453 CG ASP A 29 126.981 11.129 8.393 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.616 11.786 7.585 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.439 10.715 9.445 1.00 0.00 O ATOM 0 H ASP A 29 123.354 9.711 7.466 1.00 0.00 H new ATOM 0 HA ASP A 29 126.148 9.651 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 29 125.054 11.651 7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.965 10.626 8.985 1.00 0.00 H new ATOM 460 N SER A 30 126.946 7.697 7.620 1.00 0.00 N ATOM 461 CA SER A 30 127.312 6.406 8.286 1.00 0.00 C ATOM 462 C SER A 30 127.696 6.644 9.749 1.00 0.00 C ATOM 463 O SER A 30 127.190 5.989 10.642 1.00 0.00 O ATOM 464 CB SER A 30 128.507 5.864 7.500 1.00 0.00 C ATOM 465 OG SER A 30 129.628 6.714 7.704 1.00 0.00 O ATOM 0 H SER A 30 127.610 8.028 6.920 1.00 0.00 H new ATOM 0 HA SER A 30 126.478 5.704 8.289 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.741 4.850 7.825 1.00 0.00 H new ATOM 0 HB3 SER A 30 128.265 5.811 6.439 1.00 0.00 H new ATOM 0 HG SER A 30 130.396 6.368 7.203 1.00 0.00 H new ATOM 471 N SER A 31 128.583 7.578 10.000 1.00 0.00 N ATOM 472 CA SER A 31 129.096 7.785 11.396 1.00 0.00 C ATOM 473 C SER A 31 127.948 8.128 12.352 1.00 0.00 C ATOM 474 O SER A 31 127.887 7.628 13.461 1.00 0.00 O ATOM 475 CB SER A 31 130.072 8.959 11.301 1.00 0.00 C ATOM 476 OG SER A 31 130.930 8.949 12.434 1.00 0.00 O ATOM 0 H SER A 31 128.975 8.207 9.299 1.00 0.00 H new ATOM 0 HA SER A 31 129.573 6.885 11.784 1.00 0.00 H new ATOM 0 HB2 SER A 31 130.659 8.886 10.385 1.00 0.00 H new ATOM 0 HB3 SER A 31 129.524 9.900 11.254 1.00 0.00 H new ATOM 0 HG SER A 31 131.558 9.699 12.375 1.00 0.00 H new ATOM 482 N ASN A 32 127.043 8.975 11.929 1.00 0.00 N ATOM 483 CA ASN A 32 125.927 9.404 12.829 1.00 0.00 C ATOM 484 C ASN A 32 124.606 8.706 12.462 1.00 0.00 C ATOM 485 O ASN A 32 123.640 8.791 13.198 1.00 0.00 O ATOM 486 CB ASN A 32 125.803 10.917 12.614 1.00 0.00 C ATOM 487 CG ASN A 32 127.096 11.616 13.048 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.631 12.431 12.322 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.623 11.335 14.208 1.00 0.00 N ATOM 0 H ASN A 32 127.028 9.389 10.997 1.00 0.00 H new ATOM 0 HA ASN A 32 126.132 9.143 13.867 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.601 11.128 11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.960 11.306 13.185 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.482 11.799 14.504 1.00 0.00 H new ATOM 0 HD22 ASN A 32 127.176 10.652 14.819 1.00 0.00 H new ATOM 496 N SER A 33 124.547 8.014 11.338 1.00 0.00 N ATOM 497 CA SER A 33 123.248 7.417 10.858 1.00 0.00 C ATOM 498 C SER A 33 122.126 8.467 10.868 1.00 0.00 C ATOM 499 O SER A 33 121.184 8.382 11.635 1.00 0.00 O ATOM 500 CB SER A 33 122.942 6.270 11.827 1.00 0.00 C ATOM 501 OG SER A 33 123.548 5.076 11.348 1.00 0.00 O ATOM 0 H SER A 33 125.347 7.837 10.731 1.00 0.00 H new ATOM 0 HA SER A 33 123.322 7.062 9.830 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.318 6.509 12.822 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.864 6.133 11.918 1.00 0.00 H new ATOM 0 HG SER A 33 123.390 4.993 10.384 1.00 0.00 H new ATOM 507 N ILE A 34 122.228 9.458 10.014 1.00 0.00 N ATOM 508 CA ILE A 34 121.226 10.574 10.026 1.00 0.00 C ATOM 509 C ILE A 34 120.587 10.696 8.641 1.00 0.00 C ATOM 510 O ILE A 34 121.273 10.831 7.648 1.00 0.00 O ATOM 511 CB ILE A 34 122.018 11.847 10.375 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.789 11.658 11.702 1.00 0.00 C ATOM 513 CG2 ILE A 34 121.060 13.038 10.502 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.828 11.396 12.877 1.00 0.00 C ATOM 0 H ILE A 34 122.961 9.543 9.310 1.00 0.00 H new ATOM 0 HA ILE A 34 120.425 10.404 10.745 1.00 0.00 H new ATOM 0 HB ILE A 34 122.734 12.040 9.576 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.484 10.824 11.605 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.385 12.547 11.908 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.626 13.936 10.749 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.538 13.187 9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.334 12.839 11.290 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.402 11.268 13.795 1.00 0.00 H new ATOM 0 HD12 ILE A 34 121.150 12.242 12.988 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.251 10.492 12.681 1.00 0.00 H new ATOM 526 N LEU A 35 119.280 10.655 8.574 1.00 0.00 N ATOM 527 CA LEU A 35 118.593 10.513 7.254 1.00 0.00 C ATOM 528 C LEU A 35 117.762 11.755 6.944 1.00 0.00 C ATOM 529 O LEU A 35 116.888 12.134 7.701 1.00 0.00 O ATOM 530 CB LEU A 35 117.685 9.293 7.421 1.00 0.00 C ATOM 531 CG LEU A 35 117.092 8.902 6.065 1.00 0.00 C ATOM 532 CD1 LEU A 35 118.080 8.007 5.316 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.780 8.142 6.283 1.00 0.00 C ATOM 0 H LEU A 35 118.657 10.714 9.380 1.00 0.00 H new ATOM 0 HA LEU A 35 119.300 10.397 6.432 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.252 8.459 7.835 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.886 9.516 8.128 1.00 0.00 H new ATOM 0 HG LEU A 35 116.899 9.801 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.658 7.728 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 35 119.015 8.546 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.272 7.108 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.357 7.863 5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.973 7.243 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 35 115.075 8.779 6.818 1.00 0.00 H new ATOM 545 N GLN A 36 118.033 12.386 5.830 1.00 0.00 N ATOM 546 CA GLN A 36 117.163 13.503 5.365 1.00 0.00 C ATOM 547 C GLN A 36 116.068 12.950 4.457 1.00 0.00 C ATOM 548 O GLN A 36 116.338 12.159 3.572 1.00 0.00 O ATOM 549 CB GLN A 36 118.090 14.431 4.580 1.00 0.00 C ATOM 550 CG GLN A 36 119.058 15.119 5.545 1.00 0.00 C ATOM 551 CD GLN A 36 119.983 16.055 4.762 1.00 0.00 C ATOM 552 OE1 GLN A 36 119.567 16.685 3.811 1.00 0.00 O ATOM 553 NE2 GLN A 36 121.231 16.173 5.126 1.00 0.00 N ATOM 0 H GLN A 36 118.823 12.173 5.221 1.00 0.00 H new ATOM 0 HA GLN A 36 116.674 14.025 6.188 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.646 13.862 3.834 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.505 15.177 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.502 15.683 6.294 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.646 14.373 6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 36 121.581 15.644 5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.856 16.794 4.612 1.00 0.00 H new ATOM 562 N LEU A 37 114.839 13.353 4.672 1.00 0.00 N ATOM 563 CA LEU A 37 113.740 12.943 3.746 1.00 0.00 C ATOM 564 C LEU A 37 113.128 14.177 3.080 1.00 0.00 C ATOM 565 O LEU A 37 112.672 15.089 3.745 1.00 0.00 O ATOM 566 CB LEU A 37 112.703 12.258 4.639 1.00 0.00 C ATOM 567 CG LEU A 37 113.060 10.780 4.806 1.00 0.00 C ATOM 568 CD1 LEU A 37 112.305 10.205 6.006 1.00 0.00 C ATOM 569 CD2 LEU A 37 112.660 10.016 3.541 1.00 0.00 C ATOM 0 H LEU A 37 114.551 13.948 5.449 1.00 0.00 H new ATOM 0 HA LEU A 37 114.094 12.287 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.669 12.746 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.710 12.355 4.199 1.00 0.00 H new ATOM 0 HG LEU A 37 114.133 10.681 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.559 9.152 6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 37 112.585 10.750 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.232 10.303 5.842 1.00 0.00 H new ATOM 0 HD21 LEU A 37 112.913 8.962 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 37 111.587 10.116 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 37 113.195 10.425 2.684 1.00 0.00 H new ATOM 581 N ARG A 38 113.119 14.207 1.771 1.00 0.00 N ATOM 582 CA ARG A 38 112.433 15.319 1.044 1.00 0.00 C ATOM 583 C ARG A 38 111.102 14.828 0.464 1.00 0.00 C ATOM 584 O ARG A 38 111.075 14.118 -0.523 1.00 0.00 O ATOM 585 CB ARG A 38 113.398 15.699 -0.081 1.00 0.00 C ATOM 586 CG ARG A 38 112.900 16.966 -0.780 1.00 0.00 C ATOM 587 CD ARG A 38 113.844 17.317 -1.935 1.00 0.00 C ATOM 588 NE ARG A 38 113.352 18.630 -2.465 1.00 0.00 N ATOM 589 CZ ARG A 38 114.110 19.388 -3.235 1.00 0.00 C ATOM 590 NH1 ARG A 38 115.326 19.026 -3.578 1.00 0.00 N ATOM 591 NH2 ARG A 38 113.640 20.525 -3.669 1.00 0.00 N ATOM 0 H ARG A 38 113.558 13.507 1.173 1.00 0.00 H new ATOM 0 HA ARG A 38 112.204 16.164 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.397 15.864 0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.475 14.882 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.889 16.813 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 38 112.854 17.792 -0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.875 17.394 -1.590 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.823 16.548 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 38 112.412 18.944 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 38 115.706 18.139 -3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 38 115.889 19.632 -4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.697 20.818 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 38 114.215 21.121 -4.265 1.00 0.00 H new ATOM 605 N LEU A 39 110.003 15.204 1.067 1.00 0.00 N ATOM 606 CA LEU A 39 108.673 14.690 0.606 1.00 0.00 C ATOM 607 C LEU A 39 108.148 15.524 -0.574 1.00 0.00 C ATOM 608 O LEU A 39 108.504 16.679 -0.743 1.00 0.00 O ATOM 609 CB LEU A 39 107.762 14.807 1.840 1.00 0.00 C ATOM 610 CG LEU A 39 106.317 14.373 1.526 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.266 12.915 1.050 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.488 14.498 2.800 1.00 0.00 C ATOM 0 H LEU A 39 109.967 15.845 1.859 1.00 0.00 H new ATOM 0 HA LEU A 39 108.722 13.664 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.160 14.190 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.763 15.837 2.197 1.00 0.00 H new ATOM 0 HG LEU A 39 105.925 15.011 0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.234 12.638 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 39 106.865 12.806 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 39 106.663 12.264 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.461 14.195 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 39 105.910 13.856 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.500 15.533 3.142 1.00 0.00 H new ATOM 624 N ALA A 40 107.294 14.936 -1.384 1.00 0.00 N ATOM 625 CA ALA A 40 106.882 15.579 -2.679 1.00 0.00 C ATOM 626 C ALA A 40 106.056 16.857 -2.455 1.00 0.00 C ATOM 627 O ALA A 40 105.690 17.526 -3.405 1.00 0.00 O ATOM 628 CB ALA A 40 106.037 14.525 -3.400 1.00 0.00 C ATOM 0 H ALA A 40 106.861 14.031 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 40 107.756 15.885 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.699 14.922 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.637 13.631 -3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 40 105.173 14.270 -2.787 1.00 0.00 H new ATOM 634 N ASN A 41 105.754 17.205 -1.225 1.00 0.00 N ATOM 635 CA ASN A 41 105.085 18.518 -0.951 1.00 0.00 C ATOM 636 C ASN A 41 106.126 19.650 -0.816 1.00 0.00 C ATOM 637 O ASN A 41 105.898 20.613 -0.109 1.00 0.00 O ATOM 638 CB ASN A 41 104.319 18.316 0.370 1.00 0.00 C ATOM 639 CG ASN A 41 105.287 18.014 1.525 1.00 0.00 C ATOM 640 OD1 ASN A 41 106.389 17.548 1.311 1.00 0.00 O ATOM 641 ND2 ASN A 41 104.914 18.260 2.752 1.00 0.00 N ATOM 0 H ASN A 41 105.942 16.636 -0.399 1.00 0.00 H new ATOM 0 HA ASN A 41 104.420 18.810 -1.764 1.00 0.00 H new ATOM 0 HB2 ASN A 41 103.740 19.211 0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.609 17.496 0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 41 105.547 18.061 3.527 1.00 0.00 H new ATOM 0 HD22 ASN A 41 103.990 18.651 2.935 1.00 0.00 H new ATOM 648 N ASP A 42 107.269 19.540 -1.483 1.00 0.00 N ATOM 649 CA ASP A 42 108.303 20.633 -1.450 1.00 0.00 C ATOM 650 C ASP A 42 108.758 20.894 -0.008 1.00 0.00 C ATOM 651 O ASP A 42 109.139 21.998 0.335 1.00 0.00 O ATOM 652 CB ASP A 42 107.632 21.885 -2.041 1.00 0.00 C ATOM 653 CG ASP A 42 107.236 21.623 -3.497 1.00 0.00 C ATOM 654 OD1 ASP A 42 108.022 21.014 -4.205 1.00 0.00 O ATOM 655 OD2 ASP A 42 106.154 22.036 -3.879 1.00 0.00 O ATOM 0 H ASP A 42 107.525 18.732 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 42 109.189 20.357 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 42 106.750 22.147 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 42 108.314 22.734 -1.987 1.00 0.00 H new ATOM 660 N SER A 43 108.719 19.885 0.839 1.00 0.00 N ATOM 661 CA SER A 43 109.209 20.057 2.240 1.00 0.00 C ATOM 662 C SER A 43 110.335 19.062 2.526 1.00 0.00 C ATOM 663 O SER A 43 110.298 17.928 2.084 1.00 0.00 O ATOM 664 CB SER A 43 107.996 19.768 3.122 1.00 0.00 C ATOM 665 OG SER A 43 106.984 20.731 2.859 1.00 0.00 O ATOM 0 H SER A 43 108.369 18.954 0.615 1.00 0.00 H new ATOM 0 HA SER A 43 109.612 21.054 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 43 107.619 18.764 2.925 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.281 19.801 4.174 1.00 0.00 H new ATOM 0 HG SER A 43 106.588 20.558 1.979 1.00 0.00 H new ATOM 671 N THR A 44 111.335 19.480 3.263 1.00 0.00 N ATOM 672 CA THR A 44 112.474 18.568 3.590 1.00 0.00 C ATOM 673 C THR A 44 112.717 18.556 5.103 1.00 0.00 C ATOM 674 O THR A 44 112.513 19.550 5.777 1.00 0.00 O ATOM 675 CB THR A 44 113.687 19.135 2.833 1.00 0.00 C ATOM 676 OG1 THR A 44 114.822 18.320 3.090 1.00 0.00 O ATOM 677 CG2 THR A 44 113.980 20.573 3.283 1.00 0.00 C ATOM 0 H THR A 44 111.411 20.419 3.654 1.00 0.00 H new ATOM 0 HA THR A 44 112.277 17.537 3.296 1.00 0.00 H new ATOM 0 HB THR A 44 113.465 19.141 1.766 1.00 0.00 H new ATOM 0 HG1 THR A 44 115.597 18.677 2.608 1.00 0.00 H new ATOM 0 HG21 THR A 44 114.841 20.957 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.113 21.201 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.194 20.583 4.352 1.00 0.00 H new ATOM 685 N LYS A 45 113.149 17.440 5.634 1.00 0.00 N ATOM 686 CA LYS A 45 113.350 17.340 7.112 1.00 0.00 C ATOM 687 C LYS A 45 114.463 16.339 7.438 1.00 0.00 C ATOM 688 O LYS A 45 114.507 15.252 6.892 1.00 0.00 O ATOM 689 CB LYS A 45 112.008 16.849 7.660 1.00 0.00 C ATOM 690 CG LYS A 45 112.013 16.941 9.187 1.00 0.00 C ATOM 691 CD LYS A 45 110.677 16.434 9.734 1.00 0.00 C ATOM 692 CE LYS A 45 110.594 16.725 11.233 1.00 0.00 C ATOM 693 NZ LYS A 45 109.159 16.532 11.584 1.00 0.00 N ATOM 0 H LYS A 45 113.371 16.594 5.109 1.00 0.00 H new ATOM 0 HA LYS A 45 113.649 18.292 7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 45 111.195 17.450 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.831 15.820 7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.833 16.350 9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 112.178 17.972 9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.851 16.919 9.213 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.582 15.363 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 45 111.234 16.050 11.802 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.922 17.740 11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.022 16.714 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.575 17.192 11.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.877 15.555 11.367 1.00 0.00 H new ATOM 707 N SER A 46 115.359 16.705 8.323 1.00 0.00 N ATOM 708 CA SER A 46 116.449 15.766 8.728 1.00 0.00 C ATOM 709 C SER A 46 116.046 15.007 9.996 1.00 0.00 C ATOM 710 O SER A 46 115.743 15.603 11.014 1.00 0.00 O ATOM 711 CB SER A 46 117.661 16.658 9.000 1.00 0.00 C ATOM 712 OG SER A 46 117.409 17.457 10.147 1.00 0.00 O ATOM 0 H SER A 46 115.381 17.615 8.782 1.00 0.00 H new ATOM 0 HA SER A 46 116.657 15.019 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.549 16.046 9.157 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.860 17.293 8.137 1.00 0.00 H new ATOM 0 HG SER A 46 116.578 17.163 10.575 1.00 0.00 H new ATOM 718 N ILE A 47 116.041 13.697 9.937 1.00 0.00 N ATOM 719 CA ILE A 47 115.666 12.883 11.135 1.00 0.00 C ATOM 720 C ILE A 47 116.743 11.822 11.382 1.00 0.00 C ATOM 721 O ILE A 47 117.231 11.200 10.457 1.00 0.00 O ATOM 722 CB ILE A 47 114.317 12.229 10.787 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.271 13.316 10.498 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.834 11.376 11.966 1.00 0.00 C ATOM 725 CD1 ILE A 47 112.028 12.678 9.875 1.00 0.00 C ATOM 0 H ILE A 47 116.282 13.155 9.107 1.00 0.00 H new ATOM 0 HA ILE A 47 115.585 13.483 12.041 1.00 0.00 H new ATOM 0 HB ILE A 47 114.447 11.600 9.906 1.00 0.00 H new ATOM 0 HG12 ILE A 47 113.004 13.832 11.420 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.686 14.064 9.822 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.879 10.915 11.715 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.568 10.598 12.177 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.712 12.008 12.846 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.286 13.450 9.670 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.302 12.182 8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.609 11.947 10.566 1.00 0.00 H new ATOM 737 N VAL A 48 117.113 11.612 12.622 1.00 0.00 N ATOM 738 CA VAL A 48 118.155 10.583 12.930 1.00 0.00 C ATOM 739 C VAL A 48 117.497 9.194 12.985 1.00 0.00 C ATOM 740 O VAL A 48 116.527 8.987 13.685 1.00 0.00 O ATOM 741 CB VAL A 48 118.733 10.989 14.300 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.830 10.001 14.721 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.316 12.414 14.223 1.00 0.00 C ATOM 0 H VAL A 48 116.740 12.107 13.432 1.00 0.00 H new ATOM 0 HA VAL A 48 118.941 10.533 12.176 1.00 0.00 H new ATOM 0 HB VAL A 48 117.933 10.970 15.040 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.233 10.296 15.690 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.409 8.998 14.793 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.629 10.007 13.979 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.723 12.694 15.195 1.00 0.00 H new ATOM 0 HG22 VAL A 48 120.109 12.443 13.476 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.529 13.114 13.944 1.00 0.00 H new ATOM 753 N THR A 49 118.028 8.246 12.250 1.00 0.00 N ATOM 754 CA THR A 49 117.334 6.922 12.081 1.00 0.00 C ATOM 755 C THR A 49 117.126 6.207 13.419 1.00 0.00 C ATOM 756 O THR A 49 116.233 5.392 13.557 1.00 0.00 O ATOM 757 CB THR A 49 118.263 6.098 11.186 1.00 0.00 C ATOM 758 OG1 THR A 49 119.574 6.104 11.733 1.00 0.00 O ATOM 759 CG2 THR A 49 118.288 6.704 9.783 1.00 0.00 C ATOM 0 H THR A 49 118.917 8.330 11.756 1.00 0.00 H new ATOM 0 HA THR A 49 116.340 7.055 11.653 1.00 0.00 H new ATOM 0 HB THR A 49 117.900 5.072 11.129 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.031 6.932 11.478 1.00 0.00 H new ATOM 0 HG21 THR A 49 118.949 6.118 9.145 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.281 6.697 9.366 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.651 7.730 9.836 1.00 0.00 H new ATOM 767 N LYS A 50 117.940 6.501 14.400 1.00 0.00 N ATOM 768 CA LYS A 50 117.843 5.775 15.713 1.00 0.00 C ATOM 769 C LYS A 50 116.438 5.913 16.314 1.00 0.00 C ATOM 770 O LYS A 50 116.009 5.075 17.086 1.00 0.00 O ATOM 771 CB LYS A 50 118.882 6.436 16.634 1.00 0.00 C ATOM 772 CG LYS A 50 120.302 6.213 16.091 1.00 0.00 C ATOM 773 CD LYS A 50 121.298 7.014 16.934 1.00 0.00 C ATOM 774 CE LYS A 50 122.695 6.898 16.321 1.00 0.00 C ATOM 775 NZ LYS A 50 123.246 5.623 16.860 1.00 0.00 N ATOM 0 H LYS A 50 118.670 7.212 14.353 1.00 0.00 H new ATOM 0 HA LYS A 50 118.030 4.708 15.588 1.00 0.00 H new ATOM 0 HB2 LYS A 50 118.680 7.504 16.712 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.801 6.022 17.639 1.00 0.00 H new ATOM 0 HG2 LYS A 50 120.553 5.153 16.121 1.00 0.00 H new ATOM 0 HG3 LYS A 50 120.358 6.524 15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 50 120.995 8.060 16.978 1.00 0.00 H new ATOM 0 HD3 LYS A 50 121.307 6.641 17.958 1.00 0.00 H new ATOM 0 HE2 LYS A 50 122.648 6.879 15.232 1.00 0.00 H new ATOM 0 HE3 LYS A 50 123.320 7.747 16.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 124.211 5.481 16.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 123.269 5.666 17.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 122.644 4.830 16.560 1.00 0.00 H new ATOM 789 N ASP A 51 115.723 6.956 15.968 1.00 0.00 N ATOM 790 CA ASP A 51 114.315 7.088 16.465 1.00 0.00 C ATOM 791 C ASP A 51 113.329 6.311 15.572 1.00 0.00 C ATOM 792 O ASP A 51 112.130 6.379 15.774 1.00 0.00 O ATOM 793 CB ASP A 51 114.000 8.596 16.465 1.00 0.00 C ATOM 794 CG ASP A 51 114.134 9.196 15.057 1.00 0.00 C ATOM 795 OD1 ASP A 51 113.638 8.594 14.119 1.00 0.00 O ATOM 796 OD2 ASP A 51 114.728 10.255 14.946 1.00 0.00 O ATOM 0 H ASP A 51 116.048 7.715 15.369 1.00 0.00 H new ATOM 0 HA ASP A 51 114.211 6.664 17.464 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.988 8.758 16.837 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.676 9.111 17.147 1.00 0.00 H new ATOM 801 N ILE A 52 113.814 5.577 14.590 1.00 0.00 N ATOM 802 CA ILE A 52 112.891 4.735 13.757 1.00 0.00 C ATOM 803 C ILE A 52 112.467 3.490 14.547 1.00 0.00 C ATOM 804 O ILE A 52 113.293 2.760 15.062 1.00 0.00 O ATOM 805 CB ILE A 52 113.694 4.341 12.505 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.053 5.601 11.707 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.857 3.408 11.616 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.014 5.239 10.570 1.00 0.00 C ATOM 0 H ILE A 52 114.800 5.526 14.333 1.00 0.00 H new ATOM 0 HA ILE A 52 111.981 5.271 13.486 1.00 0.00 H new ATOM 0 HB ILE A 52 114.604 3.827 12.816 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.149 6.055 11.301 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.513 6.339 12.363 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.433 3.134 10.732 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.599 2.508 12.174 1.00 0.00 H new ATOM 0 HG23 ILE A 52 111.944 3.919 11.310 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.266 6.137 10.006 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.923 4.805 10.986 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.538 4.517 9.907 1.00 0.00 H new ATOM 820 N LYS A 53 111.183 3.252 14.637 1.00 0.00 N ATOM 821 CA LYS A 53 110.688 1.964 15.207 1.00 0.00 C ATOM 822 C LYS A 53 110.464 0.949 14.077 1.00 0.00 C ATOM 823 O LYS A 53 110.591 -0.244 14.279 1.00 0.00 O ATOM 824 CB LYS A 53 109.365 2.307 15.895 1.00 0.00 C ATOM 825 CG LYS A 53 108.863 1.091 16.679 1.00 0.00 C ATOM 826 CD LYS A 53 107.507 1.414 17.309 1.00 0.00 C ATOM 827 CE LYS A 53 107.071 0.256 18.207 1.00 0.00 C ATOM 828 NZ LYS A 53 105.829 0.734 18.876 1.00 0.00 N ATOM 0 H LYS A 53 110.453 3.899 14.338 1.00 0.00 H new ATOM 0 HA LYS A 53 111.397 1.519 15.905 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.502 3.154 16.567 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.624 2.605 15.153 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.772 0.230 16.017 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.581 0.823 17.454 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.574 2.333 17.891 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.764 1.583 16.530 1.00 0.00 H new ATOM 0 HE2 LYS A 53 106.884 -0.646 17.625 1.00 0.00 H new ATOM 0 HE3 LYS A 53 107.843 0.010 18.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 105.469 -0.007 19.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 106.039 1.590 19.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 105.110 0.954 18.157 1.00 0.00 H new ATOM 842 N ASP A 54 110.136 1.421 12.894 1.00 0.00 N ATOM 843 CA ASP A 54 109.850 0.494 11.750 1.00 0.00 C ATOM 844 C ASP A 54 109.886 1.265 10.426 1.00 0.00 C ATOM 845 O ASP A 54 109.673 2.462 10.390 1.00 0.00 O ATOM 846 CB ASP A 54 108.442 -0.058 12.007 1.00 0.00 C ATOM 847 CG ASP A 54 108.522 -1.344 12.836 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.411 -2.139 12.579 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.693 -1.509 13.715 1.00 0.00 O ATOM 0 H ASP A 54 110.054 2.413 12.672 1.00 0.00 H new ATOM 0 HA ASP A 54 110.588 -0.305 11.680 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.842 0.685 12.532 1.00 0.00 H new ATOM 0 HB3 ASP A 54 107.943 -0.258 11.059 1.00 0.00 H new ATOM 854 N LEU A 55 110.155 0.579 9.338 1.00 0.00 N ATOM 855 CA LEU A 55 110.224 1.257 8.006 1.00 0.00 C ATOM 856 C LEU A 55 109.428 0.466 6.962 1.00 0.00 C ATOM 857 O LEU A 55 109.326 -0.744 7.035 1.00 0.00 O ATOM 858 CB LEU A 55 111.710 1.268 7.637 1.00 0.00 C ATOM 859 CG LEU A 55 112.477 2.180 8.596 1.00 0.00 C ATOM 860 CD1 LEU A 55 113.979 1.940 8.434 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.162 3.643 8.272 1.00 0.00 C ATOM 0 H LEU A 55 110.330 -0.426 9.318 1.00 0.00 H new ATOM 0 HA LEU A 55 109.801 2.261 8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.113 0.256 7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 55 111.837 1.615 6.612 1.00 0.00 H new ATOM 0 HG LEU A 55 112.179 1.960 9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.527 2.589 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.208 0.899 8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.274 2.161 7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.709 4.293 8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.461 3.861 7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.092 3.818 8.383 1.00 0.00 H new ATOM 873 N ARG A 56 108.866 1.149 5.993 1.00 0.00 N ATOM 874 CA ARG A 56 108.167 0.446 4.872 1.00 0.00 C ATOM 875 C ARG A 56 108.246 1.291 3.595 1.00 0.00 C ATOM 876 O ARG A 56 108.239 2.504 3.653 1.00 0.00 O ATOM 877 CB ARG A 56 106.710 0.288 5.334 1.00 0.00 C ATOM 878 CG ARG A 56 106.052 1.667 5.507 1.00 0.00 C ATOM 879 CD ARG A 56 104.605 1.495 5.977 1.00 0.00 C ATOM 880 NE ARG A 56 104.693 0.865 7.335 1.00 0.00 N ATOM 881 CZ ARG A 56 103.649 0.278 7.890 1.00 0.00 C ATOM 882 NH1 ARG A 56 102.485 0.223 7.284 1.00 0.00 N ATOM 883 NH2 ARG A 56 103.776 -0.258 9.074 1.00 0.00 N ATOM 0 H ARG A 56 108.862 2.167 5.931 1.00 0.00 H new ATOM 0 HA ARG A 56 108.619 -0.519 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.152 -0.300 4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.678 -0.259 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.612 2.259 6.231 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.075 2.212 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.091 2.455 6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.042 0.865 5.289 1.00 0.00 H new ATOM 0 HE ARG A 56 105.578 0.891 7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.371 0.640 6.360 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.695 -0.237 7.737 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.673 -0.220 9.558 1.00 0.00 H new ATOM 0 HH22 ARG A 56 102.978 -0.715 9.515 1.00 0.00 H new ATOM 897 N ILE A 57 108.327 0.662 2.451 1.00 0.00 N ATOM 898 CA ILE A 57 108.259 1.429 1.168 1.00 0.00 C ATOM 899 C ILE A 57 106.795 1.608 0.741 1.00 0.00 C ATOM 900 O ILE A 57 106.021 0.668 0.757 1.00 0.00 O ATOM 901 CB ILE A 57 109.025 0.595 0.128 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.458 0.327 0.613 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.086 1.380 -1.187 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.086 -0.787 -0.229 1.00 0.00 C ATOM 0 H ILE A 57 108.437 -0.347 2.348 1.00 0.00 H new ATOM 0 HA ILE A 57 108.693 2.423 1.271 1.00 0.00 H new ATOM 0 HB ILE A 57 108.513 -0.356 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.055 1.236 0.535 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.449 0.041 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.627 0.798 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.074 1.574 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.600 2.327 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.102 -0.975 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 57 110.494 -1.697 -0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.109 -0.483 -1.275 1.00 0.00 H new ATOM 916 N LEU A 58 106.416 2.804 0.362 1.00 0.00 N ATOM 917 CA LEU A 58 104.997 3.051 -0.050 1.00 0.00 C ATOM 918 C LEU A 58 104.797 2.658 -1.523 1.00 0.00 C ATOM 919 O LEU A 58 105.737 2.688 -2.293 1.00 0.00 O ATOM 920 CB LEU A 58 104.773 4.554 0.136 1.00 0.00 C ATOM 921 CG LEU A 58 104.707 4.883 1.627 1.00 0.00 C ATOM 922 CD1 LEU A 58 104.806 6.398 1.821 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.379 4.381 2.200 1.00 0.00 C ATOM 0 H LEU A 58 107.027 3.620 0.320 1.00 0.00 H new ATOM 0 HA LEU A 58 104.294 2.462 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.582 5.113 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.848 4.857 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 58 105.534 4.397 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.759 6.632 2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.751 6.756 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.979 6.886 1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.330 4.615 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.552 4.868 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.308 3.302 2.062 1.00 0.00 H new ATOM 1736 N SER B 257 111.893 -4.364 2.832 1.00 0.00 N ATOM 1737 CA SER B 257 111.580 -3.311 3.856 1.00 0.00 C ATOM 1738 C SER B 257 112.157 -3.700 5.221 1.00 0.00 C ATOM 1739 O SER B 257 112.682 -2.872 5.944 1.00 0.00 O ATOM 1740 CB SER B 257 110.052 -3.269 3.930 1.00 0.00 C ATOM 1741 OG SER B 257 109.526 -3.043 2.628 1.00 0.00 O ATOM 0 HA SER B 257 112.010 -2.346 3.588 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.670 -4.207 4.332 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.731 -2.478 4.607 1.00 0.00 H new ATOM 0 HG SER B 257 110.135 -3.420 1.959 1.00 0.00 H new ATOM 1747 N SER B 258 112.057 -4.959 5.570 1.00 0.00 N ATOM 1748 CA SER B 258 112.581 -5.420 6.896 1.00 0.00 C ATOM 1749 C SER B 258 114.113 -5.384 6.906 1.00 0.00 C ATOM 1750 O SER B 258 114.728 -5.149 7.931 1.00 0.00 O ATOM 1751 CB SER B 258 112.074 -6.856 7.063 1.00 0.00 C ATOM 1752 OG SER B 258 112.771 -7.712 6.167 1.00 0.00 O ATOM 0 H SER B 258 111.635 -5.688 4.995 1.00 0.00 H new ATOM 0 HA SER B 258 112.243 -4.779 7.710 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.223 -7.188 8.090 1.00 0.00 H new ATOM 0 HB3 SER B 258 111.003 -6.900 6.866 1.00 0.00 H new ATOM 0 HG SER B 258 112.448 -8.631 6.275 1.00 0.00 H new ATOM 1758 N GLN B 259 114.731 -5.614 5.770 1.00 0.00 N ATOM 1759 CA GLN B 259 116.230 -5.596 5.701 1.00 0.00 C ATOM 1760 C GLN B 259 116.760 -4.187 5.987 1.00 0.00 C ATOM 1761 O GLN B 259 117.808 -4.023 6.583 1.00 0.00 O ATOM 1762 CB GLN B 259 116.581 -6.017 4.271 1.00 0.00 C ATOM 1763 CG GLN B 259 116.160 -7.472 4.046 1.00 0.00 C ATOM 1764 CD GLN B 259 116.590 -7.921 2.648 1.00 0.00 C ATOM 1765 OE1 GLN B 259 117.649 -7.552 2.177 1.00 0.00 O ATOM 1766 NE2 GLN B 259 115.808 -8.706 1.959 1.00 0.00 N ATOM 0 H GLN B 259 114.262 -5.814 4.887 1.00 0.00 H new ATOM 0 HA GLN B 259 116.676 -6.262 6.439 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.077 -5.367 3.556 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.652 -5.907 4.101 1.00 0.00 H new ATOM 0 HG2 GLN B 259 116.615 -8.114 4.801 1.00 0.00 H new ATOM 0 HG3 GLN B 259 115.080 -7.569 4.154 1.00 0.00 H new ATOM 0 HE21 GLN B 259 114.920 -9.016 2.354 1.00 0.00 H new ATOM 0 HE22 GLN B 259 116.085 -9.010 1.026 1.00 0.00 H new ATOM 1775 N LEU B 260 116.043 -3.174 5.564 1.00 0.00 N ATOM 1776 CA LEU B 260 116.501 -1.768 5.812 1.00 0.00 C ATOM 1777 C LEU B 260 116.424 -1.443 7.306 1.00 0.00 C ATOM 1778 O LEU B 260 117.306 -0.807 7.855 1.00 0.00 O ATOM 1779 CB LEU B 260 115.542 -0.874 5.019 1.00 0.00 C ATOM 1780 CG LEU B 260 115.714 -1.134 3.521 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.577 -0.460 2.751 1.00 0.00 C ATOM 1782 CD2 LEU B 260 117.053 -0.558 3.054 1.00 0.00 C ATOM 0 H LEU B 260 115.161 -3.258 5.058 1.00 0.00 H new ATOM 0 HA LEU B 260 117.536 -1.618 5.503 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.513 -1.074 5.317 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.740 0.175 5.241 1.00 0.00 H new ATOM 0 HG LEU B 260 115.693 -2.208 3.335 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.700 -0.646 1.684 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.622 -0.867 3.082 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.598 0.614 2.937 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.176 -0.743 1.987 1.00 0.00 H new ATOM 0 HD22 LEU B 260 117.072 0.516 3.241 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.865 -1.036 3.601 1.00 0.00 H new ATOM 1794 N LEU B 261 115.376 -1.876 7.964 1.00 0.00 N ATOM 1795 CA LEU B 261 115.261 -1.639 9.439 1.00 0.00 C ATOM 1796 C LEU B 261 116.290 -2.490 10.187 1.00 0.00 C ATOM 1797 O LEU B 261 116.908 -2.038 11.134 1.00 0.00 O ATOM 1798 CB LEU B 261 113.835 -2.060 9.812 1.00 0.00 C ATOM 1799 CG LEU B 261 113.535 -1.647 11.256 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.410 -0.123 11.340 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.220 -2.289 11.706 1.00 0.00 C ATOM 0 H LEU B 261 114.596 -2.383 7.545 1.00 0.00 H new ATOM 0 HA LEU B 261 115.452 -0.599 9.704 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.119 -1.594 9.134 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.723 -3.139 9.702 1.00 0.00 H new ATOM 0 HG LEU B 261 114.346 -1.981 11.903 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.197 0.168 12.368 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.345 0.337 11.019 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.600 0.212 10.692 1.00 0.00 H new ATOM 0 HD21 LEU B 261 112.005 -1.996 12.734 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.411 -1.955 11.057 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.306 -3.374 11.649 1.00 0.00 H new ATOM 1813 N SER B 262 116.477 -3.719 9.765 1.00 0.00 N ATOM 1814 CA SER B 262 117.506 -4.599 10.412 1.00 0.00 C ATOM 1815 C SER B 262 118.910 -4.012 10.221 1.00 0.00 C ATOM 1816 O SER B 262 119.765 -4.143 11.079 1.00 0.00 O ATOM 1817 CB SER B 262 117.392 -5.952 9.705 1.00 0.00 C ATOM 1818 OG SER B 262 117.850 -5.825 8.366 1.00 0.00 O ATOM 0 H SER B 262 115.961 -4.152 8.999 1.00 0.00 H new ATOM 0 HA SER B 262 117.342 -4.689 11.486 1.00 0.00 H new ATOM 0 HB2 SER B 262 117.982 -6.701 10.233 1.00 0.00 H new ATOM 0 HB3 SER B 262 116.357 -6.295 9.716 1.00 0.00 H new ATOM 0 HG SER B 262 117.651 -4.924 8.036 1.00 0.00 H new ATOM 1824 N LEU B 263 119.151 -3.369 9.102 1.00 0.00 N ATOM 1825 CA LEU B 263 120.494 -2.743 8.860 1.00 0.00 C ATOM 1826 C LEU B 263 120.736 -1.607 9.859 1.00 0.00 C ATOM 1827 O LEU B 263 121.812 -1.476 10.414 1.00 0.00 O ATOM 1828 CB LEU B 263 120.439 -2.191 7.432 1.00 0.00 C ATOM 1829 CG LEU B 263 120.647 -3.332 6.433 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.154 -2.898 5.052 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.137 -3.674 6.356 1.00 0.00 C ATOM 0 H LEU B 263 118.477 -3.250 8.346 1.00 0.00 H new ATOM 0 HA LEU B 263 121.304 -3.461 8.985 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.478 -1.709 7.254 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.207 -1.430 7.296 1.00 0.00 H new ATOM 0 HG LEU B 263 120.087 -4.208 6.760 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.302 -3.711 4.341 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.094 -2.651 5.105 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.714 -2.022 4.724 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.288 -4.486 5.645 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.695 -2.797 6.028 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.491 -3.982 7.340 1.00 0.00 H new