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= -0.347 X(o=-0.079,f=-0.19) USER MOD Set 1.2: A 43 SER OG : rot 70:sc= 0.268 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.934 K(o=-0.93,f=-9.4!) USER MOD Set 2.2: A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 36:sc= 0.125 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -6.77! C(o=-6.8!,f=-10!) USER MOD Single : A 16 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.31) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -170:sc= -1.78 USER MOD Single : A 27 ASN : amide:sc=-0.00399 X(o=-0.004,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00531 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 33 SER OG : rot -54:sc= 0.0272 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.6) 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 20:sc= 0.912 USER MOD Single : A 49 THR OG1 : rot -79:sc= -0.141 USER MOD Single : A 50 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.102) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 257 SER OG : rot 36:sc= 0.105 USER MOD Single : B 258 SER OG : rot 180:sc= 0 USER MOD Single : B 259 GLN : amide:sc= -0.0628 X(o=-0.063,f=-0.4) USER MOD Single : B 262 SER OG : rot 103:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 44 N SER A 2 123.634 -1.647 -0.125 1.00 0.00 N ATOM 45 CA SER A 2 123.724 -0.598 0.935 1.00 0.00 C ATOM 46 C SER A 2 122.558 0.388 0.807 1.00 0.00 C ATOM 47 O SER A 2 121.762 0.303 -0.110 1.00 0.00 O ATOM 48 CB SER A 2 125.053 0.110 0.681 1.00 0.00 C ATOM 49 OG SER A 2 126.120 -0.808 0.885 1.00 0.00 O ATOM 0 HA SER A 2 123.673 -1.021 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 2 125.082 0.499 -0.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 125.158 0.963 1.352 1.00 0.00 H new ATOM 0 HG SER A 2 125.848 -1.699 0.581 1.00 0.00 H new ATOM 55 N VAL A 3 122.457 1.319 1.724 1.00 0.00 N ATOM 56 CA VAL A 3 121.336 2.316 1.679 1.00 0.00 C ATOM 57 C VAL A 3 121.500 3.247 0.466 1.00 0.00 C ATOM 58 O VAL A 3 120.530 3.766 -0.051 1.00 0.00 O ATOM 59 CB VAL A 3 121.431 3.107 2.994 1.00 0.00 C ATOM 60 CG1 VAL A 3 120.335 4.183 3.046 1.00 0.00 C ATOM 61 CG2 VAL A 3 121.247 2.156 4.182 1.00 0.00 C ATOM 0 H VAL A 3 123.103 1.434 2.505 1.00 0.00 H new ATOM 0 HA VAL A 3 120.365 1.832 1.577 1.00 0.00 H new ATOM 0 HB VAL A 3 122.410 3.583 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 3 120.413 4.736 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 3 120.458 4.869 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 3 119.356 3.708 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 3 121.315 2.719 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 3 120.270 1.678 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 3 122.026 1.394 4.162 1.00 0.00 H new ATOM 71 N ALA A 4 122.717 3.462 0.013 1.00 0.00 N ATOM 72 CA ALA A 4 122.950 4.394 -1.145 1.00 0.00 C ATOM 73 C ALA A 4 122.104 3.973 -2.353 1.00 0.00 C ATOM 74 O ALA A 4 121.698 4.794 -3.155 1.00 0.00 O ATOM 75 CB ALA A 4 124.441 4.269 -1.473 1.00 0.00 C ATOM 0 H ALA A 4 123.560 3.032 0.395 1.00 0.00 H new ATOM 0 HA ALA A 4 122.670 5.419 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 4 124.685 4.922 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 4 125.030 4.558 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 4 124.670 3.237 -1.739 1.00 0.00 H new ATOM 81 N ASP A 5 121.841 2.695 -2.479 1.00 0.00 N ATOM 82 CA ASP A 5 120.927 2.211 -3.564 1.00 0.00 C ATOM 83 C ASP A 5 119.487 2.665 -3.289 1.00 0.00 C ATOM 84 O ASP A 5 118.716 2.891 -4.203 1.00 0.00 O ATOM 85 CB ASP A 5 121.021 0.682 -3.529 1.00 0.00 C ATOM 86 CG ASP A 5 122.432 0.242 -3.928 1.00 0.00 C ATOM 87 OD1 ASP A 5 122.970 0.814 -4.863 1.00 0.00 O ATOM 88 OD2 ASP A 5 122.950 -0.660 -3.292 1.00 0.00 O ATOM 0 H ASP A 5 122.220 1.964 -1.877 1.00 0.00 H new ATOM 0 HA ASP A 5 121.208 2.610 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 5 120.785 0.316 -2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 5 120.288 0.247 -4.209 1.00 0.00 H new ATOM 93 N PHE A 6 119.123 2.799 -2.034 1.00 0.00 N ATOM 94 CA PHE A 6 117.724 3.200 -1.683 1.00 0.00 C ATOM 95 C PHE A 6 117.614 4.719 -1.450 1.00 0.00 C ATOM 96 O PHE A 6 116.598 5.198 -0.982 1.00 0.00 O ATOM 97 CB PHE A 6 117.409 2.442 -0.393 1.00 0.00 C ATOM 98 CG PHE A 6 117.322 0.946 -0.579 1.00 0.00 C ATOM 99 CD1 PHE A 6 118.482 0.146 -0.432 1.00 0.00 C ATOM 100 CD2 PHE A 6 116.081 0.344 -0.898 1.00 0.00 C ATOM 101 CE1 PHE A 6 118.400 -1.257 -0.606 1.00 0.00 C ATOM 102 CE2 PHE A 6 116.000 -1.059 -1.071 1.00 0.00 C ATOM 103 CZ PHE A 6 117.158 -1.860 -0.925 1.00 0.00 C ATOM 0 H PHE A 6 119.739 2.647 -1.235 1.00 0.00 H new ATOM 0 HA PHE A 6 117.028 2.965 -2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 6 118.178 2.664 0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 6 116.464 2.805 0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 6 119.428 0.606 -0.187 1.00 0.00 H new ATOM 0 HD2 PHE A 6 115.197 0.954 -1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 6 119.284 -1.867 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 6 115.054 -1.519 -1.315 1.00 0.00 H new ATOM 0 HZ PHE A 6 117.095 -2.930 -1.057 1.00 0.00 H new ATOM 113 N TYR A 7 118.641 5.479 -1.770 1.00 0.00 N ATOM 114 CA TYR A 7 118.529 6.973 -1.680 1.00 0.00 C ATOM 115 C TYR A 7 117.539 7.494 -2.732 1.00 0.00 C ATOM 116 O TYR A 7 117.527 7.039 -3.861 1.00 0.00 O ATOM 117 CB TYR A 7 119.941 7.503 -1.984 1.00 0.00 C ATOM 118 CG TYR A 7 120.852 7.640 -0.773 1.00 0.00 C ATOM 119 CD1 TYR A 7 120.601 6.904 0.416 1.00 0.00 C ATOM 120 CD2 TYR A 7 121.972 8.504 -0.839 1.00 0.00 C ATOM 121 CE1 TYR A 7 121.470 7.036 1.528 1.00 0.00 C ATOM 122 CE2 TYR A 7 122.837 8.636 0.273 1.00 0.00 C ATOM 123 CZ TYR A 7 122.588 7.902 1.454 1.00 0.00 C ATOM 124 OH TYR A 7 123.438 8.030 2.533 1.00 0.00 O ATOM 0 H TYR A 7 119.546 5.130 -2.087 1.00 0.00 H new ATOM 0 HA TYR A 7 118.169 7.296 -0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 7 120.416 6.836 -2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 7 119.851 8.477 -2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 7 119.748 6.244 0.473 1.00 0.00 H new ATOM 0 HD2 TYR A 7 122.167 9.064 -1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 7 121.279 6.476 2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 7 123.688 9.298 0.219 1.00 0.00 H new ATOM 0 HH TYR A 7 124.153 8.663 2.313 1.00 0.00 H new ATOM 134 N GLY A 8 116.713 8.442 -2.361 1.00 0.00 N ATOM 135 CA GLY A 8 115.675 8.965 -3.306 1.00 0.00 C ATOM 136 C GLY A 8 114.428 8.062 -3.301 1.00 0.00 C ATOM 137 O GLY A 8 113.458 8.348 -3.979 1.00 0.00 O ATOM 0 H GLY A 8 116.713 8.879 -1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 8 115.396 9.980 -3.022 1.00 0.00 H new ATOM 0 HA3 GLY A 8 116.087 9.018 -4.314 1.00 0.00 H new ATOM 141 N SER A 9 114.439 6.979 -2.551 1.00 0.00 N ATOM 142 CA SER A 9 113.244 6.079 -2.510 1.00 0.00 C ATOM 143 C SER A 9 112.139 6.696 -1.648 1.00 0.00 C ATOM 144 O SER A 9 112.399 7.247 -0.594 1.00 0.00 O ATOM 145 CB SER A 9 113.742 4.777 -1.879 1.00 0.00 C ATOM 146 OG SER A 9 112.700 3.811 -1.912 1.00 0.00 O ATOM 0 H SER A 9 115.223 6.684 -1.969 1.00 0.00 H new ATOM 0 HA SER A 9 112.823 5.918 -3.502 1.00 0.00 H new ATOM 0 HB2 SER A 9 114.613 4.407 -2.419 1.00 0.00 H new ATOM 0 HB3 SER A 9 114.056 4.955 -0.851 1.00 0.00 H new ATOM 0 HG SER A 9 113.016 2.975 -1.510 1.00 0.00 H new ATOM 152 N ASN A 10 110.909 6.607 -2.092 1.00 0.00 N ATOM 153 CA ASN A 10 109.761 7.063 -1.245 1.00 0.00 C ATOM 154 C ASN A 10 109.370 5.948 -0.277 1.00 0.00 C ATOM 155 O ASN A 10 108.975 4.871 -0.687 1.00 0.00 O ATOM 156 CB ASN A 10 108.614 7.341 -2.224 1.00 0.00 C ATOM 157 CG ASN A 10 108.982 8.504 -3.148 1.00 0.00 C ATOM 158 OD1 ASN A 10 110.081 8.564 -3.662 1.00 0.00 O ATOM 159 ND2 ASN A 10 108.099 9.436 -3.385 1.00 0.00 N ATOM 0 H ASN A 10 110.649 6.237 -3.007 1.00 0.00 H new ATOM 0 HA ASN A 10 110.007 7.946 -0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 10 108.405 6.449 -2.815 1.00 0.00 H new ATOM 0 HB3 ASN A 10 107.704 7.578 -1.673 1.00 0.00 H new ATOM 0 HD21 ASN A 10 108.332 10.214 -4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 10 107.176 9.386 -2.954 1.00 0.00 H new ATOM 166 N VAL A 11 109.475 6.202 0.999 1.00 0.00 N ATOM 167 CA VAL A 11 109.146 5.149 2.009 1.00 0.00 C ATOM 168 C VAL A 11 108.470 5.792 3.220 1.00 0.00 C ATOM 169 O VAL A 11 108.574 6.987 3.431 1.00 0.00 O ATOM 170 CB VAL A 11 110.490 4.507 2.401 1.00 0.00 C ATOM 171 CG1 VAL A 11 111.130 3.855 1.170 1.00 0.00 C ATOM 172 CG2 VAL A 11 111.448 5.570 2.960 1.00 0.00 C ATOM 0 H VAL A 11 109.775 7.095 1.389 1.00 0.00 H new ATOM 0 HA VAL A 11 108.458 4.400 1.616 1.00 0.00 H new ATOM 0 HB VAL A 11 110.304 3.753 3.166 1.00 0.00 H new ATOM 0 HG11 VAL A 11 112.081 3.402 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 11 110.464 3.087 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 11 111.301 4.612 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 11 112.393 5.101 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 11 111.627 6.333 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 11 111.005 6.032 3.842 1.00 0.00 H new ATOM 182 N GLU A 12 107.780 5.014 4.017 1.00 0.00 N ATOM 183 CA GLU A 12 107.135 5.582 5.238 1.00 0.00 C ATOM 184 C GLU A 12 107.857 5.086 6.494 1.00 0.00 C ATOM 185 O GLU A 12 108.025 3.900 6.694 1.00 0.00 O ATOM 186 CB GLU A 12 105.697 5.057 5.201 1.00 0.00 C ATOM 187 CG GLU A 12 104.877 5.720 6.311 1.00 0.00 C ATOM 188 CD GLU A 12 103.398 5.368 6.137 1.00 0.00 C ATOM 189 OE1 GLU A 12 103.110 4.212 5.871 1.00 0.00 O ATOM 190 OE2 GLU A 12 102.577 6.261 6.271 1.00 0.00 O ATOM 0 H GLU A 12 107.637 4.014 3.875 1.00 0.00 H new ATOM 0 HA GLU A 12 107.172 6.671 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 12 105.248 5.266 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 12 105.691 3.975 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 12 105.229 5.384 7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 12 105.010 6.801 6.279 1.00 0.00 H new ATOM 197 N VAL A 13 108.285 5.993 7.337 1.00 0.00 N ATOM 198 CA VAL A 13 109.028 5.591 8.570 1.00 0.00 C ATOM 199 C VAL A 13 108.134 5.770 9.803 1.00 0.00 C ATOM 200 O VAL A 13 107.618 6.845 10.052 1.00 0.00 O ATOM 201 CB VAL A 13 110.237 6.540 8.634 1.00 0.00 C ATOM 202 CG1 VAL A 13 111.101 6.205 9.857 1.00 0.00 C ATOM 203 CG2 VAL A 13 111.086 6.388 7.363 1.00 0.00 C ATOM 0 H VAL A 13 108.151 6.998 7.223 1.00 0.00 H new ATOM 0 HA VAL A 13 109.335 4.545 8.548 1.00 0.00 H new ATOM 0 HB VAL A 13 109.875 7.565 8.713 1.00 0.00 H new ATOM 0 HG11 VAL A 13 111.955 6.881 9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 13 110.507 6.318 10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 13 111.455 5.177 9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 13 111.941 7.062 7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 13 111.439 5.360 7.282 1.00 0.00 H new ATOM 0 HG23 VAL A 13 110.481 6.634 6.490 1.00 0.00 H new ATOM 213 N LEU A 14 107.951 4.724 10.571 1.00 0.00 N ATOM 214 CA LEU A 14 107.203 4.853 11.858 1.00 0.00 C ATOM 215 C LEU A 14 108.195 5.039 13.009 1.00 0.00 C ATOM 216 O LEU A 14 109.136 4.280 13.153 1.00 0.00 O ATOM 217 CB LEU A 14 106.439 3.536 12.012 1.00 0.00 C ATOM 218 CG LEU A 14 105.484 3.632 13.203 1.00 0.00 C ATOM 219 CD1 LEU A 14 104.302 4.530 12.838 1.00 0.00 C ATOM 220 CD2 LEU A 14 104.972 2.234 13.558 1.00 0.00 C ATOM 0 H LEU A 14 108.289 3.785 10.361 1.00 0.00 H new ATOM 0 HA LEU A 14 106.529 5.710 11.867 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.880 3.320 11.102 1.00 0.00 H new ATOM 0 HB3 LEU A 14 107.139 2.713 12.160 1.00 0.00 H new ATOM 0 HG LEU A 14 106.010 4.055 14.058 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.621 4.598 13.687 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.666 5.525 12.584 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.774 4.107 11.983 1.00 0.00 H new ATOM 0 HD21 LEU A 14 104.291 2.300 14.407 1.00 0.00 H new ATOM 0 HD22 LEU A 14 104.445 1.811 12.702 1.00 0.00 H new ATOM 0 HD23 LEU A 14 105.814 1.593 13.818 1.00 0.00 H new ATOM 232 N LEU A 15 107.989 6.040 13.828 1.00 0.00 N ATOM 233 CA LEU A 15 109.002 6.379 14.874 1.00 0.00 C ATOM 234 C LEU A 15 108.604 5.795 16.237 1.00 0.00 C ATOM 235 O LEU A 15 107.489 5.353 16.433 1.00 0.00 O ATOM 236 CB LEU A 15 109.020 7.907 14.927 1.00 0.00 C ATOM 237 CG LEU A 15 109.592 8.461 13.621 1.00 0.00 C ATOM 238 CD1 LEU A 15 109.336 9.967 13.548 1.00 0.00 C ATOM 239 CD2 LEU A 15 111.100 8.199 13.572 1.00 0.00 C ATOM 0 H LEU A 15 107.162 6.637 13.817 1.00 0.00 H new ATOM 0 HA LEU A 15 109.982 5.964 14.638 1.00 0.00 H new ATOM 0 HB2 LEU A 15 108.010 8.287 15.083 1.00 0.00 H new ATOM 0 HB3 LEU A 15 109.622 8.244 15.771 1.00 0.00 H new ATOM 0 HG LEU A 15 109.109 7.969 12.777 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.744 10.361 12.617 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.263 10.156 13.582 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.818 10.459 14.392 1.00 0.00 H new ATOM 0 HD21 LEU A 15 111.508 8.594 12.641 1.00 0.00 H new ATOM 0 HD22 LEU A 15 111.582 8.691 14.417 1.00 0.00 H new ATOM 0 HD23 LEU A 15 111.285 7.126 13.623 1.00 0.00 H new ATOM 251 N ASN A 16 109.524 5.797 17.176 1.00 0.00 N ATOM 252 CA ASN A 16 109.257 5.196 18.530 1.00 0.00 C ATOM 253 C ASN A 16 108.049 5.857 19.213 1.00 0.00 C ATOM 254 O ASN A 16 107.432 5.279 20.090 1.00 0.00 O ATOM 255 CB ASN A 16 110.537 5.444 19.348 1.00 0.00 C ATOM 256 CG ASN A 16 110.836 6.947 19.436 1.00 0.00 C ATOM 257 OD1 ASN A 16 110.308 7.636 20.287 1.00 0.00 O ATOM 258 ND2 ASN A 16 111.667 7.485 18.585 1.00 0.00 N ATOM 0 H ASN A 16 110.457 6.192 17.063 1.00 0.00 H new ATOM 0 HA ASN A 16 109.018 4.136 18.448 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.421 5.031 20.350 1.00 0.00 H new ATOM 0 HB3 ASN A 16 111.377 4.927 18.885 1.00 0.00 H new ATOM 0 HD21 ASN A 16 111.873 8.483 18.634 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.110 6.908 17.871 1.00 0.00 H new ATOM 265 N ASN A 17 107.710 7.061 18.818 1.00 0.00 N ATOM 266 CA ASN A 17 106.588 7.795 19.487 1.00 0.00 C ATOM 267 C ASN A 17 105.255 7.542 18.757 1.00 0.00 C ATOM 268 O ASN A 17 104.338 8.335 18.848 1.00 0.00 O ATOM 269 CB ASN A 17 106.981 9.282 19.424 1.00 0.00 C ATOM 270 CG ASN A 17 107.075 9.765 17.968 1.00 0.00 C ATOM 271 OD1 ASN A 17 107.166 8.971 17.053 1.00 0.00 O ATOM 272 ND2 ASN A 17 107.057 11.045 17.718 1.00 0.00 N ATOM 0 H ASN A 17 108.163 7.569 18.059 1.00 0.00 H new ATOM 0 HA ASN A 17 106.440 7.462 20.514 1.00 0.00 H new ATOM 0 HB2 ASN A 17 106.245 9.879 19.962 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.939 9.430 19.923 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.119 11.378 16.756 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.981 11.713 18.485 1.00 0.00 H new ATOM 279 N ASP A 18 105.149 6.444 18.028 1.00 0.00 N ATOM 280 CA ASP A 18 103.852 6.062 17.368 1.00 0.00 C ATOM 281 C ASP A 18 103.384 7.167 16.410 1.00 0.00 C ATOM 282 O ASP A 18 102.201 7.325 16.172 1.00 0.00 O ATOM 283 CB ASP A 18 102.834 5.862 18.502 1.00 0.00 C ATOM 284 CG ASP A 18 103.214 4.626 19.322 1.00 0.00 C ATOM 285 OD1 ASP A 18 104.388 4.471 19.618 1.00 0.00 O ATOM 286 OD2 ASP A 18 102.323 3.855 19.641 1.00 0.00 O ATOM 0 H ASP A 18 105.916 5.792 17.863 1.00 0.00 H new ATOM 0 HA ASP A 18 103.965 5.155 16.774 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.811 6.743 19.143 1.00 0.00 H new ATOM 0 HB3 ASP A 18 101.833 5.743 18.088 1.00 0.00 H new ATOM 291 N SER A 19 104.304 7.932 15.863 1.00 0.00 N ATOM 292 CA SER A 19 103.936 8.899 14.788 1.00 0.00 C ATOM 293 C SER A 19 104.419 8.369 13.435 1.00 0.00 C ATOM 294 O SER A 19 105.543 7.921 13.304 1.00 0.00 O ATOM 295 CB SER A 19 104.666 10.192 15.151 1.00 0.00 C ATOM 296 OG SER A 19 104.252 10.618 16.443 1.00 0.00 O ATOM 0 H SER A 19 105.292 7.924 16.118 1.00 0.00 H new ATOM 0 HA SER A 19 102.860 9.053 14.711 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.744 10.031 15.137 1.00 0.00 H new ATOM 0 HB3 SER A 19 104.449 10.965 14.414 1.00 0.00 H new ATOM 0 HG SER A 19 104.719 11.446 16.680 1.00 0.00 H new ATOM 302 N LYS A 20 103.577 8.420 12.433 1.00 0.00 N ATOM 303 CA LYS A 20 103.946 7.841 11.105 1.00 0.00 C ATOM 304 C LYS A 20 104.163 8.954 10.078 1.00 0.00 C ATOM 305 O LYS A 20 103.455 9.946 10.067 1.00 0.00 O ATOM 306 CB LYS A 20 102.743 6.983 10.714 1.00 0.00 C ATOM 307 CG LYS A 20 103.172 5.937 9.682 1.00 0.00 C ATOM 308 CD LYS A 20 101.934 5.219 9.137 1.00 0.00 C ATOM 309 CE LYS A 20 101.365 4.292 10.214 1.00 0.00 C ATOM 310 NZ LYS A 20 100.288 3.524 9.530 1.00 0.00 N ATOM 0 H LYS A 20 102.648 8.839 12.478 1.00 0.00 H new ATOM 0 HA LYS A 20 104.872 7.267 11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.332 6.491 11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.953 7.612 10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.716 6.416 8.868 1.00 0.00 H new ATOM 0 HG3 LYS A 20 103.851 5.217 10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 20 101.182 5.948 8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.196 4.644 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 20 102.133 3.628 10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.971 4.861 11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 99.849 2.865 10.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.568 4.182 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.694 2.987 8.737 1.00 0.00 H new ATOM 324 N ALA A 21 105.137 8.795 9.215 1.00 0.00 N ATOM 325 CA ALA A 21 105.397 9.828 8.165 1.00 0.00 C ATOM 326 C ALA A 21 106.056 9.186 6.941 1.00 0.00 C ATOM 327 O ALA A 21 106.681 8.147 7.041 1.00 0.00 O ATOM 328 CB ALA A 21 106.343 10.835 8.821 1.00 0.00 C ATOM 0 H ALA A 21 105.765 7.991 9.193 1.00 0.00 H new ATOM 0 HA ALA A 21 104.479 10.302 7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 21 106.581 11.627 8.111 1.00 0.00 H new ATOM 0 HB2 ALA A 21 105.862 11.267 9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 21 107.261 10.330 9.122 1.00 0.00 H new ATOM 334 N ARG A 22 105.919 9.798 5.789 1.00 0.00 N ATOM 335 CA ARG A 22 106.539 9.231 4.550 1.00 0.00 C ATOM 336 C ARG A 22 107.117 10.348 3.679 1.00 0.00 C ATOM 337 O ARG A 22 106.591 11.443 3.631 1.00 0.00 O ATOM 338 CB ARG A 22 105.403 8.494 3.821 1.00 0.00 C ATOM 339 CG ARG A 22 104.269 9.469 3.473 1.00 0.00 C ATOM 340 CD ARG A 22 103.053 8.684 2.969 1.00 0.00 C ATOM 341 NE ARG A 22 102.043 9.723 2.585 1.00 0.00 N ATOM 342 CZ ARG A 22 101.018 9.431 1.807 1.00 0.00 C ATOM 343 NH1 ARG A 22 100.832 8.219 1.336 1.00 0.00 N ATOM 344 NH2 ARG A 22 100.167 10.371 1.498 1.00 0.00 N ATOM 0 H ARG A 22 105.403 10.668 5.653 1.00 0.00 H new ATOM 0 HA ARG A 22 107.366 8.559 4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 22 105.786 8.032 2.911 1.00 0.00 H new ATOM 0 HB3 ARG A 22 105.020 7.690 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 22 103.998 10.055 4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 22 104.602 10.173 2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 22 103.315 8.057 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 22 102.663 8.023 3.743 1.00 0.00 H new ATOM 0 HE ARG A 22 102.150 10.676 2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 22 101.489 7.475 1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 22 100.030 8.022 0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 22 100.299 11.317 1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 22 99.370 10.160 0.898 1.00 0.00 H new ATOM 358 N GLY A 23 108.199 10.069 2.992 1.00 0.00 N ATOM 359 CA GLY A 23 108.891 11.132 2.201 1.00 0.00 C ATOM 360 C GLY A 23 109.983 10.482 1.350 1.00 0.00 C ATOM 361 O GLY A 23 110.276 9.310 1.503 1.00 0.00 O ATOM 0 H GLY A 23 108.633 9.147 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 23 108.177 11.654 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.326 11.876 2.868 1.00 0.00 H new ATOM 365 N VAL A 24 110.590 11.228 0.457 1.00 0.00 N ATOM 366 CA VAL A 24 111.601 10.622 -0.465 1.00 0.00 C ATOM 367 C VAL A 24 112.999 10.810 0.124 1.00 0.00 C ATOM 368 O VAL A 24 113.440 11.919 0.347 1.00 0.00 O ATOM 369 CB VAL A 24 111.471 11.398 -1.788 1.00 0.00 C ATOM 370 CG1 VAL A 24 112.387 10.764 -2.845 1.00 0.00 C ATOM 371 CG2 VAL A 24 110.014 11.363 -2.288 1.00 0.00 C ATOM 0 H VAL A 24 110.429 12.227 0.328 1.00 0.00 H new ATOM 0 HA VAL A 24 111.441 9.554 -0.612 1.00 0.00 H new ATOM 0 HB VAL A 24 111.763 12.434 -1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 24 112.295 11.313 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 24 113.421 10.803 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 24 112.096 9.726 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 24 109.937 11.916 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 24 109.710 10.329 -2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 24 109.363 11.819 -1.543 1.00 0.00 H new ATOM 381 N ILE A 25 113.699 9.732 0.372 1.00 0.00 N ATOM 382 CA ILE A 25 115.002 9.828 1.111 1.00 0.00 C ATOM 383 C ILE A 25 116.024 10.629 0.292 1.00 0.00 C ATOM 384 O ILE A 25 116.084 10.523 -0.917 1.00 0.00 O ATOM 385 CB ILE A 25 115.470 8.374 1.312 1.00 0.00 C ATOM 386 CG1 ILE A 25 114.451 7.626 2.183 1.00 0.00 C ATOM 387 CG2 ILE A 25 116.840 8.345 2.004 1.00 0.00 C ATOM 388 CD1 ILE A 25 114.672 6.117 2.051 1.00 0.00 C ATOM 0 H ILE A 25 113.428 8.788 0.096 1.00 0.00 H new ATOM 0 HA ILE A 25 114.894 10.345 2.064 1.00 0.00 H new ATOM 0 HB ILE A 25 115.553 7.893 0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 25 114.556 7.929 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 25 113.437 7.883 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.158 7.311 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 25 117.570 8.871 1.389 1.00 0.00 H new ATOM 0 HG23 ILE A 25 116.767 8.832 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 25 113.948 5.588 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.545 5.820 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.681 5.867 2.379 1.00 0.00 H new ATOM 400 N THR A 26 116.823 11.432 0.953 1.00 0.00 N ATOM 401 CA THR A 26 117.845 12.248 0.233 1.00 0.00 C ATOM 402 C THR A 26 119.261 11.935 0.731 1.00 0.00 C ATOM 403 O THR A 26 120.217 12.103 -0.004 1.00 0.00 O ATOM 404 CB THR A 26 117.484 13.708 0.518 1.00 0.00 C ATOM 405 OG1 THR A 26 117.120 13.856 1.886 1.00 0.00 O ATOM 406 CG2 THR A 26 116.317 14.125 -0.380 1.00 0.00 C ATOM 0 H THR A 26 116.809 11.556 1.965 1.00 0.00 H new ATOM 0 HA THR A 26 117.842 12.030 -0.835 1.00 0.00 H new ATOM 0 HB THR A 26 118.345 14.343 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 26 116.740 14.748 2.029 1.00 0.00 H new ATOM 0 HG21 THR A 26 116.057 15.164 -0.180 1.00 0.00 H new ATOM 0 HG22 THR A 26 116.606 14.018 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 26 115.455 13.490 -0.175 1.00 0.00 H new ATOM 414 N ASN A 27 119.422 11.483 1.963 1.00 0.00 N ATOM 415 CA ASN A 27 120.810 11.194 2.453 1.00 0.00 C ATOM 416 C ASN A 27 120.802 10.289 3.689 1.00 0.00 C ATOM 417 O ASN A 27 119.810 10.159 4.377 1.00 0.00 O ATOM 418 CB ASN A 27 121.404 12.563 2.801 1.00 0.00 C ATOM 419 CG ASN A 27 122.920 12.534 2.591 1.00 0.00 C ATOM 420 OD1 ASN A 27 123.677 12.601 3.538 1.00 0.00 O ATOM 421 ND2 ASN A 27 123.396 12.438 1.379 1.00 0.00 N ATOM 0 H ASN A 27 118.671 11.307 2.631 1.00 0.00 H new ATOM 0 HA ASN A 27 121.390 10.665 1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 27 120.955 13.335 2.176 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.175 12.818 3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.404 12.419 1.227 1.00 0.00 H new ATOM 0 HD22 ASN A 27 122.759 12.382 0.584 1.00 0.00 H new ATOM 428 N PHE A 28 121.923 9.661 3.955 1.00 0.00 N ATOM 429 CA PHE A 28 122.126 8.936 5.249 1.00 0.00 C ATOM 430 C PHE A 28 123.613 8.965 5.612 1.00 0.00 C ATOM 431 O PHE A 28 124.459 8.583 4.824 1.00 0.00 O ATOM 432 CB PHE A 28 121.652 7.499 5.000 1.00 0.00 C ATOM 433 CG PHE A 28 121.871 6.575 6.179 1.00 0.00 C ATOM 434 CD1 PHE A 28 121.049 6.681 7.328 1.00 0.00 C ATOM 435 CD2 PHE A 28 122.904 5.605 6.135 1.00 0.00 C ATOM 436 CE1 PHE A 28 121.261 5.817 8.431 1.00 0.00 C ATOM 437 CE2 PHE A 28 123.113 4.742 7.237 1.00 0.00 C ATOM 438 CZ PHE A 28 122.291 4.848 8.385 1.00 0.00 C ATOM 0 H PHE A 28 122.719 9.620 3.318 1.00 0.00 H new ATOM 0 HA PHE A 28 121.576 9.389 6.074 1.00 0.00 H new ATOM 0 HB2 PHE A 28 120.591 7.513 4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 28 122.176 7.098 4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 28 120.262 7.419 7.363 1.00 0.00 H new ATOM 0 HD2 PHE A 28 123.532 5.525 5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 28 120.636 5.898 9.308 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.899 4.003 7.202 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.450 4.189 9.226 1.00 0.00 H new ATOM 448 N ASP A 29 123.932 9.415 6.799 1.00 0.00 N ATOM 449 CA ASP A 29 125.362 9.537 7.203 1.00 0.00 C ATOM 450 C ASP A 29 125.739 8.340 8.066 1.00 0.00 C ATOM 451 O ASP A 29 125.040 8.016 9.000 1.00 0.00 O ATOM 452 CB ASP A 29 125.437 10.831 8.015 1.00 0.00 C ATOM 453 CG ASP A 29 126.900 11.171 8.307 1.00 0.00 C ATOM 454 OD1 ASP A 29 127.707 11.059 7.398 1.00 0.00 O ATOM 455 OD2 ASP A 29 127.189 11.539 9.433 1.00 0.00 O ATOM 0 H ASP A 29 123.258 9.704 7.508 1.00 0.00 H new ATOM 0 HA ASP A 29 126.044 9.559 6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 29 124.967 11.646 7.464 1.00 0.00 H new ATOM 0 HB3 ASP A 29 124.886 10.718 8.949 1.00 0.00 H new ATOM 460 N SER A 30 126.829 7.683 7.760 1.00 0.00 N ATOM 461 CA SER A 30 127.205 6.454 8.530 1.00 0.00 C ATOM 462 C SER A 30 127.612 6.818 9.960 1.00 0.00 C ATOM 463 O SER A 30 127.126 6.241 10.915 1.00 0.00 O ATOM 464 CB SER A 30 128.388 5.844 7.775 1.00 0.00 C ATOM 465 OG SER A 30 128.712 4.584 8.349 1.00 0.00 O ATOM 0 H SER A 30 127.474 7.942 7.013 1.00 0.00 H new ATOM 0 HA SER A 30 126.371 5.756 8.607 1.00 0.00 H new ATOM 0 HB2 SER A 30 128.138 5.723 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 30 129.249 6.511 7.824 1.00 0.00 H new ATOM 0 HG SER A 30 129.468 4.190 7.867 1.00 0.00 H new ATOM 471 N SER A 31 128.496 7.776 10.112 1.00 0.00 N ATOM 472 CA SER A 31 129.038 8.103 11.474 1.00 0.00 C ATOM 473 C SER A 31 127.911 8.519 12.426 1.00 0.00 C ATOM 474 O SER A 31 127.881 8.115 13.575 1.00 0.00 O ATOM 475 CB SER A 31 130.006 9.268 11.256 1.00 0.00 C ATOM 476 OG SER A 31 130.956 8.909 10.262 1.00 0.00 O ATOM 0 H SER A 31 128.867 8.347 9.352 1.00 0.00 H new ATOM 0 HA SER A 31 129.528 7.241 11.927 1.00 0.00 H new ATOM 0 HB2 SER A 31 129.458 10.158 10.947 1.00 0.00 H new ATOM 0 HB3 SER A 31 130.514 9.514 12.189 1.00 0.00 H new ATOM 0 HG SER A 31 131.577 9.654 10.119 1.00 0.00 H new ATOM 482 N ASN A 32 126.988 9.322 11.957 1.00 0.00 N ATOM 483 CA ASN A 32 125.880 9.803 12.842 1.00 0.00 C ATOM 484 C ASN A 32 124.561 9.070 12.549 1.00 0.00 C ATOM 485 O ASN A 32 123.606 9.198 13.291 1.00 0.00 O ATOM 486 CB ASN A 32 125.739 11.292 12.520 1.00 0.00 C ATOM 487 CG ASN A 32 126.997 12.040 12.970 1.00 0.00 C ATOM 488 OD1 ASN A 32 127.577 11.720 13.989 1.00 0.00 O ATOM 489 ND2 ASN A 32 127.446 13.032 12.249 1.00 0.00 N ATOM 0 H ASN A 32 126.953 9.666 10.997 1.00 0.00 H new ATOM 0 HA ASN A 32 126.103 9.617 13.893 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.586 11.429 11.450 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.862 11.701 13.022 1.00 0.00 H new ATOM 0 HD21 ASN A 32 128.283 13.537 12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 32 126.960 13.302 11.394 1.00 0.00 H new ATOM 496 N SER A 33 124.492 8.298 11.476 1.00 0.00 N ATOM 497 CA SER A 33 123.192 7.654 11.065 1.00 0.00 C ATOM 498 C SER A 33 122.057 8.689 11.018 1.00 0.00 C ATOM 499 O SER A 33 121.129 8.648 11.808 1.00 0.00 O ATOM 500 CB SER A 33 122.919 6.577 12.119 1.00 0.00 C ATOM 501 OG SER A 33 123.574 5.373 11.742 1.00 0.00 O ATOM 0 H SER A 33 125.283 8.088 10.868 1.00 0.00 H new ATOM 0 HA SER A 33 123.251 7.226 10.064 1.00 0.00 H new ATOM 0 HB2 SER A 33 123.275 6.908 13.094 1.00 0.00 H new ATOM 0 HB3 SER A 33 121.846 6.407 12.212 1.00 0.00 H new ATOM 0 HG SER A 33 123.301 5.122 10.835 1.00 0.00 H new ATOM 507 N ILE A 34 122.131 9.617 10.094 1.00 0.00 N ATOM 508 CA ILE A 34 121.114 10.719 10.043 1.00 0.00 C ATOM 509 C ILE A 34 120.471 10.755 8.657 1.00 0.00 C ATOM 510 O ILE A 34 121.153 10.825 7.654 1.00 0.00 O ATOM 511 CB ILE A 34 121.891 12.020 10.322 1.00 0.00 C ATOM 512 CG1 ILE A 34 122.654 11.923 11.662 1.00 0.00 C ATOM 513 CG2 ILE A 34 120.917 13.205 10.371 1.00 0.00 C ATOM 514 CD1 ILE A 34 121.690 11.699 12.842 1.00 0.00 C ATOM 0 H ILE A 34 122.851 9.660 9.373 1.00 0.00 H new ATOM 0 HA ILE A 34 120.314 10.579 10.770 1.00 0.00 H new ATOM 0 HB ILE A 34 122.612 12.171 9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 34 123.371 11.104 11.616 1.00 0.00 H new ATOM 0 HG13 ILE A 34 123.225 12.837 11.825 1.00 0.00 H new ATOM 0 HG21 ILE A 34 121.471 14.123 10.569 1.00 0.00 H new ATOM 0 HG22 ILE A 34 120.401 13.291 9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 34 120.187 13.044 11.164 1.00 0.00 H new ATOM 0 HD11 ILE A 34 122.259 11.635 13.770 1.00 0.00 H new ATOM 0 HD12 ILE A 34 120.989 12.532 12.903 1.00 0.00 H new ATOM 0 HD13 ILE A 34 121.139 10.771 12.690 1.00 0.00 H new ATOM 526 N LEU A 35 119.162 10.716 8.598 1.00 0.00 N ATOM 527 CA LEU A 35 118.469 10.520 7.289 1.00 0.00 C ATOM 528 C LEU A 35 117.640 11.752 6.933 1.00 0.00 C ATOM 529 O LEU A 35 116.747 12.143 7.663 1.00 0.00 O ATOM 530 CB LEU A 35 117.559 9.310 7.510 1.00 0.00 C ATOM 531 CG LEU A 35 116.951 8.871 6.176 1.00 0.00 C ATOM 532 CD1 LEU A 35 117.951 7.989 5.428 1.00 0.00 C ATOM 533 CD2 LEU A 35 115.669 8.079 6.438 1.00 0.00 C ATOM 0 H LEU A 35 118.543 10.812 9.403 1.00 0.00 H new ATOM 0 HA LEU A 35 119.171 10.367 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 35 118.128 8.490 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 35 116.768 9.562 8.216 1.00 0.00 H new ATOM 0 HG LEU A 35 116.719 9.749 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 35 117.520 7.675 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 35 118.866 8.552 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 35 118.182 7.110 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 35 115.235 7.766 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 35 115.901 7.200 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 35 114.957 8.707 6.973 1.00 0.00 H new ATOM 545 N GLN A 36 117.935 12.362 5.815 1.00 0.00 N ATOM 546 CA GLN A 36 117.096 13.494 5.327 1.00 0.00 C ATOM 547 C GLN A 36 115.997 12.954 4.415 1.00 0.00 C ATOM 548 O GLN A 36 116.255 12.131 3.557 1.00 0.00 O ATOM 549 CB GLN A 36 118.051 14.388 4.535 1.00 0.00 C ATOM 550 CG GLN A 36 119.072 15.019 5.486 1.00 0.00 C ATOM 551 CD GLN A 36 120.059 15.875 4.688 1.00 0.00 C ATOM 552 OE1 GLN A 36 120.412 15.540 3.574 1.00 0.00 O ATOM 553 NE2 GLN A 36 120.520 16.976 5.215 1.00 0.00 N ATOM 0 H GLN A 36 118.726 12.123 5.216 1.00 0.00 H new ATOM 0 HA GLN A 36 116.614 14.038 6.139 1.00 0.00 H new ATOM 0 HB2 GLN A 36 118.563 13.803 3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 36 117.491 15.167 4.018 1.00 0.00 H new ATOM 0 HG2 GLN A 36 118.561 15.632 6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 36 119.607 14.240 6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 36 120.224 17.257 6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 36 121.177 17.556 4.692 1.00 0.00 H new ATOM 562 N LEU A 37 114.779 13.409 4.592 1.00 0.00 N ATOM 563 CA LEU A 37 113.686 13.031 3.641 1.00 0.00 C ATOM 564 C LEU A 37 113.144 14.282 2.947 1.00 0.00 C ATOM 565 O LEU A 37 112.715 15.221 3.594 1.00 0.00 O ATOM 566 CB LEU A 37 112.583 12.394 4.501 1.00 0.00 C ATOM 567 CG LEU A 37 113.112 11.167 5.260 1.00 0.00 C ATOM 568 CD1 LEU A 37 111.991 10.598 6.137 1.00 0.00 C ATOM 569 CD2 LEU A 37 113.575 10.091 4.269 1.00 0.00 C ATOM 0 H LEU A 37 114.495 14.025 5.354 1.00 0.00 H new ATOM 0 HA LEU A 37 114.042 12.348 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 37 112.202 13.128 5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 37 111.747 12.100 3.866 1.00 0.00 H new ATOM 0 HG LEU A 37 113.957 11.466 5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 37 112.359 9.727 6.679 1.00 0.00 H new ATOM 0 HD12 LEU A 37 111.665 11.357 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 37 111.150 10.305 5.508 1.00 0.00 H new ATOM 0 HD21 LEU A 37 113.948 9.227 4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 37 112.736 9.788 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 37 114.371 10.493 3.641 1.00 0.00 H new ATOM 581 N ARG A 38 113.163 14.300 1.638 1.00 0.00 N ATOM 582 CA ARG A 38 112.565 15.450 0.890 1.00 0.00 C ATOM 583 C ARG A 38 111.142 15.098 0.449 1.00 0.00 C ATOM 584 O ARG A 38 110.942 14.280 -0.431 1.00 0.00 O ATOM 585 CB ARG A 38 113.473 15.654 -0.325 1.00 0.00 C ATOM 586 CG ARG A 38 113.025 16.892 -1.106 1.00 0.00 C ATOM 587 CD ARG A 38 113.903 17.058 -2.349 1.00 0.00 C ATOM 588 NE ARG A 38 113.500 18.373 -2.939 1.00 0.00 N ATOM 589 CZ ARG A 38 112.378 18.510 -3.622 1.00 0.00 C ATOM 590 NH1 ARG A 38 111.554 17.503 -3.807 1.00 0.00 N ATOM 591 NH2 ARG A 38 112.079 19.677 -4.124 1.00 0.00 N ATOM 0 H ARG A 38 113.567 13.568 1.054 1.00 0.00 H new ATOM 0 HA ARG A 38 112.499 16.353 1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 38 114.507 15.771 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 38 113.438 14.775 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 38 111.979 16.792 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 38 113.097 17.778 -0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 38 114.961 17.051 -2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 38 113.744 16.244 -3.056 1.00 0.00 H new ATOM 0 HE ARG A 38 114.107 19.183 -2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 38 111.774 16.586 -3.419 1.00 0.00 H new ATOM 0 HH12 ARG A 38 110.694 17.639 -4.339 1.00 0.00 H new ATOM 0 HH21 ARG A 38 112.708 20.468 -3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 38 111.216 19.798 -4.654 1.00 0.00 H new ATOM 605 N LEU A 39 110.158 15.710 1.055 1.00 0.00 N ATOM 606 CA LEU A 39 108.742 15.322 0.776 1.00 0.00 C ATOM 607 C LEU A 39 108.208 16.052 -0.461 1.00 0.00 C ATOM 608 O LEU A 39 108.620 17.157 -0.772 1.00 0.00 O ATOM 609 CB LEU A 39 107.967 15.729 2.039 1.00 0.00 C ATOM 610 CG LEU A 39 106.554 15.118 2.046 1.00 0.00 C ATOM 611 CD1 LEU A 39 106.617 13.600 1.847 1.00 0.00 C ATOM 612 CD2 LEU A 39 105.908 15.397 3.399 1.00 0.00 C ATOM 0 H LEU A 39 110.274 16.464 1.733 1.00 0.00 H new ATOM 0 HA LEU A 39 108.641 14.258 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 39 108.512 15.402 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 39 107.897 16.815 2.091 1.00 0.00 H new ATOM 0 HG LEU A 39 105.977 15.561 1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 39 105.607 13.190 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 39 107.091 13.378 0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 39 107.198 13.151 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 39 104.905 14.970 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 39 106.510 14.948 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 39 105.847 16.474 3.558 1.00 0.00 H new ATOM 624 N ALA A 40 107.284 15.432 -1.162 1.00 0.00 N ATOM 625 CA ALA A 40 106.802 15.984 -2.475 1.00 0.00 C ATOM 626 C ALA A 40 106.138 17.360 -2.309 1.00 0.00 C ATOM 627 O ALA A 40 105.861 18.032 -3.286 1.00 0.00 O ATOM 628 CB ALA A 40 105.783 14.966 -2.990 1.00 0.00 C ATOM 0 H ALA A 40 106.839 14.559 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 40 107.634 16.131 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 40 105.386 15.301 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 40 106.268 13.998 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 40 104.968 14.872 -2.272 1.00 0.00 H new ATOM 634 N ASN A 41 105.878 17.788 -1.093 1.00 0.00 N ATOM 635 CA ASN A 41 105.342 19.171 -0.875 1.00 0.00 C ATOM 636 C ASN A 41 106.487 20.201 -0.805 1.00 0.00 C ATOM 637 O ASN A 41 106.364 21.213 -0.142 1.00 0.00 O ATOM 638 CB ASN A 41 104.600 19.105 0.462 1.00 0.00 C ATOM 639 CG ASN A 41 103.755 20.368 0.639 1.00 0.00 C ATOM 640 OD1 ASN A 41 102.859 20.628 -0.140 1.00 0.00 O ATOM 641 ND2 ASN A 41 104.003 21.170 1.638 1.00 0.00 N ATOM 0 H ASN A 41 106.014 17.239 -0.244 1.00 0.00 H new ATOM 0 HA ASN A 41 104.692 19.485 -1.692 1.00 0.00 H new ATOM 0 HB2 ASN A 41 103.963 18.221 0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 41 105.313 19.014 1.282 1.00 0.00 H new ATOM 0 HD21 ASN A 41 103.445 22.014 1.765 1.00 0.00 H new ATOM 0 HD22 ASN A 41 104.755 20.952 2.292 1.00 0.00 H new ATOM 648 N ASP A 42 107.603 19.952 -1.480 1.00 0.00 N ATOM 649 CA ASP A 42 108.710 20.968 -1.568 1.00 0.00 C ATOM 650 C ASP A 42 109.230 21.316 -0.167 1.00 0.00 C ATOM 651 O ASP A 42 109.658 22.430 0.079 1.00 0.00 O ATOM 652 CB ASP A 42 108.102 22.210 -2.242 1.00 0.00 C ATOM 653 CG ASP A 42 107.655 21.859 -3.665 1.00 0.00 C ATOM 654 OD1 ASP A 42 108.389 21.155 -4.340 1.00 0.00 O ATOM 655 OD2 ASP A 42 106.586 22.301 -4.054 1.00 0.00 O ATOM 0 H ASP A 42 107.789 19.080 -1.975 1.00 0.00 H new ATOM 0 HA ASP A 42 109.556 20.584 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 42 107.252 22.571 -1.662 1.00 0.00 H new ATOM 0 HB3 ASP A 42 108.835 23.016 -2.269 1.00 0.00 H new ATOM 660 N SER A 43 109.197 20.373 0.755 1.00 0.00 N ATOM 661 CA SER A 43 109.720 20.649 2.128 1.00 0.00 C ATOM 662 C SER A 43 110.813 19.641 2.494 1.00 0.00 C ATOM 663 O SER A 43 110.694 18.460 2.225 1.00 0.00 O ATOM 664 CB SER A 43 108.513 20.487 3.050 1.00 0.00 C ATOM 665 OG SER A 43 107.505 21.417 2.671 1.00 0.00 O ATOM 0 H SER A 43 108.832 19.432 0.611 1.00 0.00 H new ATOM 0 HA SER A 43 110.165 21.641 2.207 1.00 0.00 H new ATOM 0 HB2 SER A 43 108.127 19.469 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 43 108.807 20.654 4.086 1.00 0.00 H new ATOM 0 HG SER A 43 107.128 21.156 1.805 1.00 0.00 H new ATOM 671 N THR A 44 111.875 20.104 3.106 1.00 0.00 N ATOM 672 CA THR A 44 112.958 19.175 3.559 1.00 0.00 C ATOM 673 C THR A 44 112.790 18.849 5.047 1.00 0.00 C ATOM 674 O THR A 44 112.294 19.656 5.812 1.00 0.00 O ATOM 675 CB THR A 44 114.281 19.921 3.302 1.00 0.00 C ATOM 676 OG1 THR A 44 115.366 19.098 3.710 1.00 0.00 O ATOM 677 CG2 THR A 44 114.330 21.244 4.080 1.00 0.00 C ATOM 0 H THR A 44 112.040 21.089 3.312 1.00 0.00 H new ATOM 0 HA THR A 44 112.931 18.225 3.025 1.00 0.00 H new ATOM 0 HB THR A 44 114.352 20.144 2.237 1.00 0.00 H new ATOM 0 HG1 THR A 44 116.211 19.567 3.547 1.00 0.00 H new ATOM 0 HG21 THR A 44 115.275 21.749 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.504 21.882 3.766 1.00 0.00 H new ATOM 0 HG23 THR A 44 114.246 21.042 5.148 1.00 0.00 H new ATOM 685 N LYS A 45 113.198 17.674 5.459 1.00 0.00 N ATOM 686 CA LYS A 45 113.107 17.309 6.906 1.00 0.00 C ATOM 687 C LYS A 45 114.229 16.337 7.281 1.00 0.00 C ATOM 688 O LYS A 45 114.323 15.249 6.744 1.00 0.00 O ATOM 689 CB LYS A 45 111.740 16.640 7.062 1.00 0.00 C ATOM 690 CG LYS A 45 111.440 16.426 8.547 1.00 0.00 C ATOM 691 CD LYS A 45 110.081 15.740 8.700 1.00 0.00 C ATOM 692 CE LYS A 45 109.696 15.696 10.181 1.00 0.00 C ATOM 693 NZ LYS A 45 108.535 14.765 10.249 1.00 0.00 N ATOM 0 H LYS A 45 113.590 16.952 4.855 1.00 0.00 H new ATOM 0 HA LYS A 45 113.212 18.177 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 45 110.966 17.261 6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 45 111.729 15.685 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 45 112.220 15.816 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 45 111.437 17.382 9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 45 109.323 16.280 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 45 110.124 14.729 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 45 110.524 15.340 10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.430 16.687 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 108.213 14.683 11.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 107.760 15.133 9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 108.820 13.828 9.898 1.00 0.00 H new ATOM 707 N SER A 46 115.081 16.728 8.200 1.00 0.00 N ATOM 708 CA SER A 46 116.191 15.828 8.637 1.00 0.00 C ATOM 709 C SER A 46 115.784 15.058 9.896 1.00 0.00 C ATOM 710 O SER A 46 115.419 15.645 10.899 1.00 0.00 O ATOM 711 CB SER A 46 117.364 16.761 8.935 1.00 0.00 C ATOM 712 OG SER A 46 117.054 17.556 10.072 1.00 0.00 O ATOM 0 H SER A 46 115.053 17.635 8.666 1.00 0.00 H new ATOM 0 HA SER A 46 116.443 15.086 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 46 118.268 16.180 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 46 117.564 17.399 8.074 1.00 0.00 H new ATOM 0 HG SER A 46 116.338 17.127 10.585 1.00 0.00 H new ATOM 718 N ILE A 47 115.844 13.749 9.849 1.00 0.00 N ATOM 719 CA ILE A 47 115.472 12.927 11.042 1.00 0.00 C ATOM 720 C ILE A 47 116.589 11.919 11.331 1.00 0.00 C ATOM 721 O ILE A 47 117.102 11.280 10.431 1.00 0.00 O ATOM 722 CB ILE A 47 114.166 12.208 10.660 1.00 0.00 C ATOM 723 CG1 ILE A 47 113.081 13.241 10.327 1.00 0.00 C ATOM 724 CG2 ILE A 47 113.688 11.343 11.832 1.00 0.00 C ATOM 725 CD1 ILE A 47 111.887 12.539 9.673 1.00 0.00 C ATOM 0 H ILE A 47 116.136 13.213 9.032 1.00 0.00 H new ATOM 0 HA ILE A 47 115.337 13.530 11.940 1.00 0.00 H new ATOM 0 HB ILE A 47 114.352 11.578 9.790 1.00 0.00 H new ATOM 0 HG12 ILE A 47 112.762 13.754 11.234 1.00 0.00 H new ATOM 0 HG13 ILE A 47 113.482 14.001 9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 47 112.763 10.836 11.557 1.00 0.00 H new ATOM 0 HG22 ILE A 47 114.450 10.602 12.072 1.00 0.00 H new ATOM 0 HG23 ILE A 47 113.510 11.975 12.702 1.00 0.00 H new ATOM 0 HD11 ILE A 47 111.117 13.274 9.437 1.00 0.00 H new ATOM 0 HD12 ILE A 47 112.212 12.047 8.756 1.00 0.00 H new ATOM 0 HD13 ILE A 47 111.481 11.796 10.360 1.00 0.00 H new ATOM 737 N VAL A 48 116.967 11.774 12.578 1.00 0.00 N ATOM 738 CA VAL A 48 118.040 10.790 12.925 1.00 0.00 C ATOM 739 C VAL A 48 117.424 9.386 13.036 1.00 0.00 C ATOM 740 O VAL A 48 116.459 9.179 13.743 1.00 0.00 O ATOM 741 CB VAL A 48 118.603 11.268 14.279 1.00 0.00 C ATOM 742 CG1 VAL A 48 119.729 10.329 14.739 1.00 0.00 C ATOM 743 CG2 VAL A 48 119.144 12.705 14.148 1.00 0.00 C ATOM 0 H VAL A 48 116.581 12.292 13.367 1.00 0.00 H new ATOM 0 HA VAL A 48 118.827 10.733 12.173 1.00 0.00 H new ATOM 0 HB VAL A 48 117.802 11.255 15.018 1.00 0.00 H new ATOM 0 HG11 VAL A 48 120.122 10.673 15.696 1.00 0.00 H new ATOM 0 HG12 VAL A 48 119.337 9.318 14.850 1.00 0.00 H new ATOM 0 HG13 VAL A 48 120.528 10.329 13.998 1.00 0.00 H new ATOM 0 HG21 VAL A 48 119.539 13.034 15.109 1.00 0.00 H new ATOM 0 HG22 VAL A 48 119.938 12.728 13.402 1.00 0.00 H new ATOM 0 HG23 VAL A 48 118.338 13.371 13.840 1.00 0.00 H new ATOM 753 N THR A 49 117.983 8.427 12.338 1.00 0.00 N ATOM 754 CA THR A 49 117.322 7.083 12.201 1.00 0.00 C ATOM 755 C THR A 49 117.098 6.411 13.559 1.00 0.00 C ATOM 756 O THR A 49 116.222 5.581 13.707 1.00 0.00 O ATOM 757 CB THR A 49 118.286 6.246 11.355 1.00 0.00 C ATOM 758 OG1 THR A 49 119.579 6.284 11.941 1.00 0.00 O ATOM 759 CG2 THR A 49 118.346 6.812 9.935 1.00 0.00 C ATOM 0 H THR A 49 118.876 8.515 11.852 1.00 0.00 H new ATOM 0 HA THR A 49 116.336 7.181 11.747 1.00 0.00 H new ATOM 0 HB THR A 49 117.936 5.215 11.315 1.00 0.00 H new ATOM 0 HG1 THR A 49 120.019 7.128 11.708 1.00 0.00 H new ATOM 0 HG21 THR A 49 119.032 6.215 9.334 1.00 0.00 H new ATOM 0 HG22 THR A 49 117.352 6.781 9.489 1.00 0.00 H new ATOM 0 HG23 THR A 49 118.696 7.844 9.969 1.00 0.00 H new ATOM 767 N LYS A 50 117.884 6.758 14.546 1.00 0.00 N ATOM 768 CA LYS A 50 117.766 6.087 15.886 1.00 0.00 C ATOM 769 C LYS A 50 116.341 6.216 16.442 1.00 0.00 C ATOM 770 O LYS A 50 115.924 5.427 17.271 1.00 0.00 O ATOM 771 CB LYS A 50 118.764 6.808 16.807 1.00 0.00 C ATOM 772 CG LYS A 50 120.203 6.599 16.310 1.00 0.00 C ATOM 773 CD LYS A 50 121.155 7.460 17.144 1.00 0.00 C ATOM 774 CE LYS A 50 122.565 7.380 16.552 1.00 0.00 C ATOM 775 NZ LYS A 50 123.109 6.079 17.031 1.00 0.00 N ATOM 0 H LYS A 50 118.605 7.477 14.486 1.00 0.00 H new ATOM 0 HA LYS A 50 117.980 5.021 15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 50 118.535 7.873 16.838 1.00 0.00 H new ATOM 0 HB3 LYS A 50 118.666 6.431 17.825 1.00 0.00 H new ATOM 0 HG2 LYS A 50 120.479 5.548 16.391 1.00 0.00 H new ATOM 0 HG3 LYS A 50 120.279 6.868 15.256 1.00 0.00 H new ATOM 0 HD2 LYS A 50 120.812 8.494 17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 50 121.163 7.115 18.178 1.00 0.00 H new ATOM 0 HE2 LYS A 50 122.539 7.420 15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 50 123.182 8.214 16.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 123.872 6.253 17.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 122.351 5.533 17.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 123.484 5.541 16.224 1.00 0.00 H new ATOM 789 N ASP A 51 115.594 7.199 15.997 1.00 0.00 N ATOM 790 CA ASP A 51 114.170 7.316 16.450 1.00 0.00 C ATOM 791 C ASP A 51 113.239 6.423 15.606 1.00 0.00 C ATOM 792 O ASP A 51 112.040 6.410 15.817 1.00 0.00 O ATOM 793 CB ASP A 51 113.801 8.804 16.298 1.00 0.00 C ATOM 794 CG ASP A 51 113.918 9.272 14.836 1.00 0.00 C ATOM 795 OD1 ASP A 51 114.045 8.434 13.955 1.00 0.00 O ATOM 796 OD2 ASP A 51 113.880 10.473 14.623 1.00 0.00 O ATOM 0 H ASP A 51 115.905 7.920 15.345 1.00 0.00 H new ATOM 0 HA ASP A 51 114.054 6.981 17.481 1.00 0.00 H new ATOM 0 HB2 ASP A 51 112.782 8.964 16.651 1.00 0.00 H new ATOM 0 HB3 ASP A 51 114.455 9.408 16.927 1.00 0.00 H new ATOM 801 N ILE A 52 113.773 5.681 14.655 1.00 0.00 N ATOM 802 CA ILE A 52 112.903 4.780 13.829 1.00 0.00 C ATOM 803 C ILE A 52 112.510 3.540 14.641 1.00 0.00 C ATOM 804 O ILE A 52 113.352 2.847 15.181 1.00 0.00 O ATOM 805 CB ILE A 52 113.749 4.383 12.606 1.00 0.00 C ATOM 806 CG1 ILE A 52 114.086 5.636 11.786 1.00 0.00 C ATOM 807 CG2 ILE A 52 112.963 3.404 11.721 1.00 0.00 C ATOM 808 CD1 ILE A 52 115.092 5.278 10.686 1.00 0.00 C ATOM 0 H ILE A 52 114.765 5.662 14.419 1.00 0.00 H new ATOM 0 HA ILE A 52 111.979 5.273 13.527 1.00 0.00 H new ATOM 0 HB ILE A 52 114.667 3.907 12.950 1.00 0.00 H new ATOM 0 HG12 ILE A 52 113.179 6.047 11.343 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.501 6.407 12.435 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.568 3.128 10.858 1.00 0.00 H new ATOM 0 HG22 ILE A 52 112.720 2.510 12.295 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.042 3.879 11.382 1.00 0.00 H new ATOM 0 HD11 ILE A 52 115.329 6.170 10.106 1.00 0.00 H new ATOM 0 HD12 ILE A 52 116.003 4.887 11.139 1.00 0.00 H new ATOM 0 HD13 ILE A 52 114.660 4.522 10.030 1.00 0.00 H new ATOM 820 N LYS A 53 111.232 3.267 14.726 1.00 0.00 N ATOM 821 CA LYS A 53 110.770 1.974 15.313 1.00 0.00 C ATOM 822 C LYS A 53 110.578 0.935 14.201 1.00 0.00 C ATOM 823 O LYS A 53 110.733 -0.251 14.422 1.00 0.00 O ATOM 824 CB LYS A 53 109.435 2.292 15.990 1.00 0.00 C ATOM 825 CG LYS A 53 108.971 1.081 16.803 1.00 0.00 C ATOM 826 CD LYS A 53 107.682 1.430 17.552 1.00 0.00 C ATOM 827 CE LYS A 53 106.521 1.518 16.561 1.00 0.00 C ATOM 828 NZ LYS A 53 105.294 1.535 17.406 1.00 0.00 N ATOM 0 H LYS A 53 110.486 3.888 14.412 1.00 0.00 H new ATOM 0 HA LYS A 53 111.489 1.560 16.019 1.00 0.00 H new ATOM 0 HB2 LYS A 53 109.543 3.160 16.641 1.00 0.00 H new ATOM 0 HB3 LYS A 53 108.687 2.547 15.240 1.00 0.00 H new ATOM 0 HG2 LYS A 53 108.801 0.230 16.143 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.746 0.786 17.510 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.472 0.673 18.307 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.799 2.379 18.076 1.00 0.00 H new ATOM 0 HE2 LYS A 53 106.591 2.417 15.949 1.00 0.00 H new ATOM 0 HE3 LYS A 53 106.519 0.668 15.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 104.453 1.594 16.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 105.250 0.664 17.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 105.321 2.359 18.040 1.00 0.00 H new ATOM 842 N ASP A 54 110.248 1.380 13.006 1.00 0.00 N ATOM 843 CA ASP A 54 110.003 0.429 11.872 1.00 0.00 C ATOM 844 C ASP A 54 110.031 1.186 10.539 1.00 0.00 C ATOM 845 O ASP A 54 109.795 2.379 10.490 1.00 0.00 O ATOM 846 CB ASP A 54 108.610 -0.162 12.121 1.00 0.00 C ATOM 847 CG ASP A 54 108.720 -1.433 12.967 1.00 0.00 C ATOM 848 OD1 ASP A 54 109.626 -2.212 12.719 1.00 0.00 O ATOM 849 OD2 ASP A 54 107.896 -1.605 13.851 1.00 0.00 O ATOM 0 H ASP A 54 110.138 2.366 12.769 1.00 0.00 H new ATOM 0 HA ASP A 54 110.765 -0.349 11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.982 0.569 12.630 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.128 -0.390 11.170 1.00 0.00 H new ATOM 854 N LEU A 55 110.319 0.496 9.460 1.00 0.00 N ATOM 855 CA LEU A 55 110.393 1.165 8.124 1.00 0.00 C ATOM 856 C LEU A 55 109.618 0.362 7.075 1.00 0.00 C ATOM 857 O LEU A 55 109.516 -0.849 7.162 1.00 0.00 O ATOM 858 CB LEU A 55 111.882 1.191 7.771 1.00 0.00 C ATOM 859 CG LEU A 55 112.628 2.121 8.727 1.00 0.00 C ATOM 860 CD1 LEU A 55 114.133 1.903 8.577 1.00 0.00 C ATOM 861 CD2 LEU A 55 112.291 3.575 8.390 1.00 0.00 C ATOM 0 H LEU A 55 110.507 -0.507 9.449 1.00 0.00 H new ATOM 0 HA LEU A 55 109.956 2.163 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 55 112.296 0.185 7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 55 112.015 1.529 6.743 1.00 0.00 H new ATOM 0 HG LEU A 55 112.328 1.905 9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 55 114.666 2.566 9.258 1.00 0.00 H new ATOM 0 HD12 LEU A 55 114.376 0.867 8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 55 114.432 2.120 7.551 1.00 0.00 H new ATOM 0 HD21 LEU A 55 112.823 4.239 9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 55 112.592 3.790 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 55 111.217 3.733 8.493 1.00 0.00 H new ATOM 873 N ARG A 56 109.072 1.030 6.089 1.00 0.00 N ATOM 874 CA ARG A 56 108.405 0.312 4.959 1.00 0.00 C ATOM 875 C ARG A 56 108.489 1.151 3.680 1.00 0.00 C ATOM 876 O ARG A 56 108.419 2.364 3.727 1.00 0.00 O ATOM 877 CB ARG A 56 106.943 0.131 5.400 1.00 0.00 C ATOM 878 CG ARG A 56 106.253 1.498 5.534 1.00 0.00 C ATOM 879 CD ARG A 56 104.802 1.301 5.978 1.00 0.00 C ATOM 880 NE ARG A 56 104.885 0.724 7.356 1.00 0.00 N ATOM 881 CZ ARG A 56 105.191 1.471 8.400 1.00 0.00 C ATOM 882 NH1 ARG A 56 105.452 2.753 8.278 1.00 0.00 N ATOM 883 NH2 ARG A 56 105.241 0.922 9.583 1.00 0.00 N ATOM 0 H ARG A 56 109.060 2.047 6.018 1.00 0.00 H new ATOM 0 HA ARG A 56 108.878 -0.645 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 56 106.410 -0.483 4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.906 -0.398 6.353 1.00 0.00 H new ATOM 0 HG2 ARG A 56 106.785 2.115 6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 56 106.284 2.027 4.581 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.259 2.246 5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 56 104.272 0.630 5.302 1.00 0.00 H new ATOM 0 HE ARG A 56 104.701 -0.270 7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 56 105.421 3.195 7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 56 105.686 3.307 9.102 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.045 -0.073 9.692 1.00 0.00 H new ATOM 0 HH22 ARG A 56 105.476 1.488 10.398 1.00 0.00 H new ATOM 897 N ILE A 57 108.638 0.518 2.545 1.00 0.00 N ATOM 898 CA ILE A 57 108.540 1.265 1.255 1.00 0.00 C ATOM 899 C ILE A 57 107.073 1.343 0.814 1.00 0.00 C ATOM 900 O ILE A 57 106.364 0.353 0.833 1.00 0.00 O ATOM 901 CB ILE A 57 109.367 0.468 0.234 1.00 0.00 C ATOM 902 CG1 ILE A 57 110.806 0.285 0.742 1.00 0.00 C ATOM 903 CG2 ILE A 57 109.400 1.241 -1.088 1.00 0.00 C ATOM 904 CD1 ILE A 57 111.535 -0.733 -0.139 1.00 0.00 C ATOM 0 H ILE A 57 108.823 -0.481 2.455 1.00 0.00 H new ATOM 0 HA ILE A 57 108.912 2.285 1.348 1.00 0.00 H new ATOM 0 HB ILE A 57 108.912 -0.512 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 57 111.333 1.239 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 57 110.797 -0.055 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.985 0.684 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 57 108.383 1.372 -1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 57 109.856 2.218 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 57 112.555 -0.862 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 57 111.012 -1.689 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 57 111.557 -0.374 -1.168 1.00 0.00 H new ATOM 916 N LEU A 58 106.618 2.506 0.420 1.00 0.00 N ATOM 917 CA LEU A 58 105.194 2.649 -0.018 1.00 0.00 C ATOM 918 C LEU A 58 105.051 2.222 -1.491 1.00 0.00 C ATOM 919 O LEU A 58 105.895 2.554 -2.300 1.00 0.00 O ATOM 920 CB LEU A 58 104.865 4.134 0.142 1.00 0.00 C ATOM 921 CG LEU A 58 104.728 4.472 1.627 1.00 0.00 C ATOM 922 CD1 LEU A 58 104.758 5.991 1.809 1.00 0.00 C ATOM 923 CD2 LEU A 58 103.401 3.923 2.154 1.00 0.00 C ATOM 0 H LEU A 58 107.170 3.363 0.382 1.00 0.00 H new ATOM 0 HA LEU A 58 104.520 2.023 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 58 105.650 4.741 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 58 103.939 4.370 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 58 105.553 4.023 2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.660 6.233 2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 58 105.703 6.384 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 58 103.932 6.440 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 58 103.302 4.163 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.576 4.373 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 58 103.378 2.841 2.024 1.00 0.00 H new ATOM 1736 N SER B 257 111.668 -4.753 2.730 1.00 0.00 N ATOM 1737 CA SER B 257 111.524 -3.607 3.692 1.00 0.00 C ATOM 1738 C SER B 257 112.147 -3.962 5.047 1.00 0.00 C ATOM 1739 O SER B 257 112.710 -3.121 5.723 1.00 0.00 O ATOM 1740 CB SER B 257 110.017 -3.403 3.850 1.00 0.00 C ATOM 1741 OG SER B 257 109.467 -2.987 2.607 1.00 0.00 O ATOM 0 HA SER B 257 112.028 -2.711 3.330 1.00 0.00 H new ATOM 0 HB2 SER B 257 109.545 -4.329 4.178 1.00 0.00 H new ATOM 0 HB3 SER B 257 109.818 -2.655 4.617 1.00 0.00 H new ATOM 0 HG SER B 257 109.936 -3.439 1.874 1.00 0.00 H new ATOM 1747 N SER B 258 112.042 -5.209 5.438 1.00 0.00 N ATOM 1748 CA SER B 258 112.611 -5.643 6.754 1.00 0.00 C ATOM 1749 C SER B 258 114.141 -5.582 6.716 1.00 0.00 C ATOM 1750 O SER B 258 114.781 -5.300 7.711 1.00 0.00 O ATOM 1751 CB SER B 258 112.136 -7.084 6.950 1.00 0.00 C ATOM 1752 OG SER B 258 110.718 -7.128 6.855 1.00 0.00 O ATOM 0 H SER B 258 111.586 -5.947 4.902 1.00 0.00 H new ATOM 0 HA SER B 258 112.286 -4.998 7.570 1.00 0.00 H new ATOM 0 HB2 SER B 258 112.583 -7.732 6.196 1.00 0.00 H new ATOM 0 HB3 SER B 258 112.459 -7.456 7.922 1.00 0.00 H new ATOM 0 HG SER B 258 110.410 -8.050 6.978 1.00 0.00 H new ATOM 1758 N GLN B 259 114.728 -5.847 5.571 1.00 0.00 N ATOM 1759 CA GLN B 259 116.225 -5.826 5.461 1.00 0.00 C ATOM 1760 C GLN B 259 116.763 -4.418 5.739 1.00 0.00 C ATOM 1761 O GLN B 259 117.810 -4.255 6.338 1.00 0.00 O ATOM 1762 CB GLN B 259 116.536 -6.240 4.018 1.00 0.00 C ATOM 1763 CG GLN B 259 116.100 -7.691 3.792 1.00 0.00 C ATOM 1764 CD GLN B 259 117.031 -8.633 4.560 1.00 0.00 C ATOM 1765 OE1 GLN B 259 118.237 -8.523 4.467 1.00 0.00 O ATOM 1766 NE2 GLN B 259 116.517 -9.564 5.318 1.00 0.00 N ATOM 0 H GLN B 259 114.236 -6.077 4.708 1.00 0.00 H new ATOM 0 HA GLN B 259 116.692 -6.495 6.184 1.00 0.00 H new ATOM 0 HB2 GLN B 259 116.018 -5.582 3.321 1.00 0.00 H new ATOM 0 HB3 GLN B 259 117.603 -6.136 3.821 1.00 0.00 H new ATOM 0 HG2 GLN B 259 115.071 -7.828 4.126 1.00 0.00 H new ATOM 0 HG3 GLN B 259 116.124 -7.927 2.728 1.00 0.00 H new ATOM 0 HE21 GLN B 259 115.504 -9.657 5.396 1.00 0.00 H new ATOM 0 HE22 GLN B 259 117.128 -10.199 5.832 1.00 0.00 H new ATOM 1775 N LEU B 260 116.052 -3.403 5.306 1.00 0.00 N ATOM 1776 CA LEU B 260 116.506 -1.997 5.562 1.00 0.00 C ATOM 1777 C LEU B 260 116.435 -1.683 7.059 1.00 0.00 C ATOM 1778 O LEU B 260 117.331 -1.071 7.614 1.00 0.00 O ATOM 1779 CB LEU B 260 115.535 -1.104 4.783 1.00 0.00 C ATOM 1780 CG LEU B 260 115.719 -1.334 3.281 1.00 0.00 C ATOM 1781 CD1 LEU B 260 114.559 -0.689 2.521 1.00 0.00 C ATOM 1782 CD2 LEU B 260 117.038 -0.704 2.827 1.00 0.00 C ATOM 0 H LEU B 260 115.178 -3.487 4.787 1.00 0.00 H new ATOM 0 HA LEU B 260 117.538 -1.840 5.249 1.00 0.00 H new ATOM 0 HB2 LEU B 260 114.508 -1.327 5.072 1.00 0.00 H new ATOM 0 HB3 LEU B 260 115.714 -0.057 5.025 1.00 0.00 H new ATOM 0 HG LEU B 260 115.737 -2.405 3.077 1.00 0.00 H new ATOM 0 HD11 LEU B 260 114.689 -0.852 1.451 1.00 0.00 H new ATOM 0 HD12 LEU B 260 113.619 -1.136 2.844 1.00 0.00 H new ATOM 0 HD13 LEU B 260 114.541 0.382 2.725 1.00 0.00 H new ATOM 0 HD21 LEU B 260 117.170 -0.867 1.757 1.00 0.00 H new ATOM 0 HD22 LEU B 260 117.019 0.367 3.031 1.00 0.00 H new ATOM 0 HD23 LEU B 260 117.865 -1.162 3.369 1.00 0.00 H new ATOM 1794 N LEU B 261 115.378 -2.098 7.714 1.00 0.00 N ATOM 1795 CA LEU B 261 115.279 -1.897 9.194 1.00 0.00 C ATOM 1796 C LEU B 261 116.287 -2.804 9.908 1.00 0.00 C ATOM 1797 O LEU B 261 116.865 -2.432 10.912 1.00 0.00 O ATOM 1798 CB LEU B 261 113.843 -2.284 9.568 1.00 0.00 C ATOM 1799 CG LEU B 261 113.561 -1.882 11.019 1.00 0.00 C ATOM 1800 CD1 LEU B 261 113.490 -0.357 11.127 1.00 0.00 C ATOM 1801 CD2 LEU B 261 112.226 -2.482 11.464 1.00 0.00 C ATOM 0 H LEU B 261 114.579 -2.567 7.288 1.00 0.00 H new ATOM 0 HA LEU B 261 115.502 -0.871 9.487 1.00 0.00 H new ATOM 0 HB2 LEU B 261 113.137 -1.790 8.900 1.00 0.00 H new ATOM 0 HB3 LEU B 261 113.701 -3.358 9.444 1.00 0.00 H new ATOM 0 HG LEU B 261 114.362 -2.255 11.657 1.00 0.00 H new ATOM 0 HD11 LEU B 261 113.289 -0.074 12.160 1.00 0.00 H new ATOM 0 HD12 LEU B 261 114.440 0.075 10.811 1.00 0.00 H new ATOM 0 HD13 LEU B 261 112.691 0.016 10.487 1.00 0.00 H new ATOM 0 HD21 LEU B 261 112.025 -2.196 12.496 1.00 0.00 H new ATOM 0 HD22 LEU B 261 111.428 -2.109 10.822 1.00 0.00 H new ATOM 0 HD23 LEU B 261 112.273 -3.569 11.391 1.00 0.00 H new ATOM 1813 N SER B 262 116.496 -3.994 9.390 1.00 0.00 N ATOM 1814 CA SER B 262 117.509 -4.922 9.993 1.00 0.00 C ATOM 1815 C SER B 262 118.912 -4.308 9.915 1.00 0.00 C ATOM 1816 O SER B 262 119.718 -4.474 10.813 1.00 0.00 O ATOM 1817 CB SER B 262 117.444 -6.198 9.150 1.00 0.00 C ATOM 1818 OG SER B 262 116.151 -6.775 9.274 1.00 0.00 O ATOM 0 H SER B 262 116.007 -4.363 8.574 1.00 0.00 H new ATOM 0 HA SER B 262 117.302 -5.116 11.045 1.00 0.00 H new ATOM 0 HB2 SER B 262 117.654 -5.969 8.105 1.00 0.00 H new ATOM 0 HB3 SER B 262 118.204 -6.906 9.481 1.00 0.00 H new ATOM 0 HG SER B 262 115.628 -6.583 8.467 1.00 0.00 H new ATOM 1824 N LEU B 263 119.205 -3.602 8.847 1.00 0.00 N ATOM 1825 CA LEU B 263 120.557 -2.967 8.704 1.00 0.00 C ATOM 1826 C LEU B 263 120.750 -1.892 9.777 1.00 0.00 C ATOM 1827 O LEU B 263 121.783 -1.820 10.417 1.00 0.00 O ATOM 1828 CB LEU B 263 120.566 -2.335 7.308 1.00 0.00 C ATOM 1829 CG LEU B 263 120.730 -3.428 6.251 1.00 0.00 C ATOM 1830 CD1 LEU B 263 120.194 -2.926 4.907 1.00 0.00 C ATOM 1831 CD2 LEU B 263 122.213 -3.780 6.107 1.00 0.00 C ATOM 0 H LEU B 263 118.567 -3.438 8.068 1.00 0.00 H new ATOM 0 HA LEU B 263 121.363 -3.691 8.824 1.00 0.00 H new ATOM 0 HB2 LEU B 263 119.638 -1.788 7.139 1.00 0.00 H new ATOM 0 HB3 LEU B 263 121.380 -1.614 7.229 1.00 0.00 H new ATOM 0 HG LEU B 263 120.173 -4.313 6.557 1.00 0.00 H new ATOM 0 HD11 LEU B 263 120.311 -3.706 4.154 1.00 0.00 H new ATOM 0 HD12 LEU B 263 119.138 -2.675 5.007 1.00 0.00 H new ATOM 0 HD13 LEU B 263 120.751 -2.040 4.601 1.00 0.00 H new ATOM 0 HD21 LEU B 263 122.331 -4.559 5.354 1.00 0.00 H new ATOM 0 HD22 LEU B 263 122.769 -2.894 5.802 1.00 0.00 H new ATOM 0 HD23 LEU B 263 122.596 -4.138 7.062 1.00 0.00 H new