USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 579 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 Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= -0.0596 (180deg=-0.572) USER MOD Single : A 11 SER OG : rot 120:sc= -0.669 USER MOD Single : A 12 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.42) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -139:sc= -0.85 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 61:sc= -0.209 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 0.273 (180deg=0.135) USER MOD Single : A 33 THR OG1 : rot -86:sc= -2.37! USER MOD Single : A 46 ASN : amide:sc= -0.827 X(o=-0.83,f=-0.62) USER MOD Single : A 50 ASN : amide:sc= -0.202 K(o=-0.2,f=-2.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -2.65 F(o=-7.2!,f=-2.7) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -106:sc= -0.372 (180deg=-2.15!) USER MOD Single : A 64 LYS NZ :NH3+ 150:sc= -0.0943 (180deg=-0.735) USER MOD Single : A 65 SER OG : rot -107:sc= 0.888 USER MOD Single : A 72 THR OG1 : rot -90:sc= -0.484 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 80 SER OG : rot 101:sc= 1.14 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0.46) USER MOD ----------------------------------------------------------------- ATOM 53 N VAL A 4 100.817 113.894 -41.237 1.00 0.00 N ATOM 54 CA VAL A 4 102.082 113.561 -40.596 1.00 0.00 C ATOM 55 C VAL A 4 103.056 114.759 -40.564 1.00 0.00 C ATOM 56 O VAL A 4 103.759 114.970 -39.588 1.00 0.00 O ATOM 57 CB VAL A 4 102.757 112.405 -41.337 1.00 0.00 C ATOM 58 CG1 VAL A 4 101.868 111.160 -41.407 1.00 0.00 C ATOM 59 CG2 VAL A 4 103.228 112.834 -42.724 1.00 0.00 C ATOM 0 HA VAL A 4 101.851 113.278 -39.569 1.00 0.00 H new ATOM 0 HB VAL A 4 103.637 112.129 -40.757 1.00 0.00 H new ATOM 0 HG11 VAL A 4 102.392 110.368 -41.942 1.00 0.00 H new ATOM 0 HG12 VAL A 4 101.635 110.822 -40.397 1.00 0.00 H new ATOM 0 HG13 VAL A 4 100.944 111.402 -41.931 1.00 0.00 H new ATOM 0 HG21 VAL A 4 103.703 111.990 -43.224 1.00 0.00 H new ATOM 0 HG22 VAL A 4 102.373 113.169 -43.311 1.00 0.00 H new ATOM 0 HG23 VAL A 4 103.945 113.650 -42.629 1.00 0.00 H new ATOM 69 N THR A 5 103.064 115.528 -41.668 1.00 0.00 N ATOM 70 CA THR A 5 103.868 116.739 -41.671 1.00 0.00 C ATOM 71 C THR A 5 103.455 117.706 -40.538 1.00 0.00 C ATOM 72 O THR A 5 104.295 118.342 -39.913 1.00 0.00 O ATOM 73 CB THR A 5 103.643 117.446 -43.014 1.00 0.00 C ATOM 74 OG1 THR A 5 103.815 116.574 -44.114 1.00 0.00 O ATOM 75 CG2 THR A 5 104.468 118.731 -43.136 1.00 0.00 C ATOM 0 H THR A 5 102.546 115.337 -42.526 1.00 0.00 H new ATOM 0 HA THR A 5 104.912 116.465 -41.520 1.00 0.00 H new ATOM 0 HB THR A 5 102.598 117.755 -43.037 1.00 0.00 H new ATOM 0 HG1 THR A 5 103.661 117.065 -44.948 1.00 0.00 H new ATOM 0 HG21 THR A 5 104.276 119.196 -44.103 1.00 0.00 H new ATOM 0 HG22 THR A 5 104.188 119.420 -42.339 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.528 118.492 -43.053 1.00 0.00 H new ATOM 83 N TYR A 6 102.128 117.777 -40.315 1.00 0.00 N ATOM 84 CA TYR A 6 101.621 118.494 -39.155 1.00 0.00 C ATOM 85 C TYR A 6 102.020 117.817 -37.828 1.00 0.00 C ATOM 86 O TYR A 6 102.287 118.505 -36.855 1.00 0.00 O ATOM 87 CB TYR A 6 100.100 118.672 -39.237 1.00 0.00 C ATOM 88 CG TYR A 6 99.702 119.628 -40.334 1.00 0.00 C ATOM 89 CD1 TYR A 6 100.203 120.955 -40.334 1.00 0.00 C ATOM 90 CD2 TYR A 6 98.842 119.217 -41.385 1.00 0.00 C ATOM 91 CE1 TYR A 6 99.870 121.851 -41.379 1.00 0.00 C ATOM 92 CE2 TYR A 6 98.511 120.108 -42.435 1.00 0.00 C ATOM 93 CZ TYR A 6 99.035 121.422 -42.439 1.00 0.00 C ATOM 94 OH TYR A 6 98.738 122.280 -43.477 1.00 0.00 O ATOM 0 H TYR A 6 101.415 117.356 -40.910 1.00 0.00 H new ATOM 0 HA TYR A 6 102.086 119.480 -39.167 1.00 0.00 H new ATOM 0 HB2 TYR A 6 99.630 117.704 -39.412 1.00 0.00 H new ATOM 0 HB3 TYR A 6 99.726 119.040 -38.282 1.00 0.00 H new ATOM 0 HD1 TYR A 6 100.844 121.285 -39.530 1.00 0.00 H new ATOM 0 HD2 TYR A 6 98.436 118.216 -41.384 1.00 0.00 H new ATOM 0 HE1 TYR A 6 100.253 122.861 -41.367 1.00 0.00 H new ATOM 0 HE2 TYR A 6 97.859 119.784 -43.233 1.00 0.00 H new ATOM 0 HH TYR A 6 98.154 121.826 -44.120 1.00 0.00 H new ATOM 104 N ILE A 7 102.025 116.465 -37.807 1.00 0.00 N ATOM 105 CA ILE A 7 102.516 115.785 -36.610 1.00 0.00 C ATOM 106 C ILE A 7 103.956 116.204 -36.259 1.00 0.00 C ATOM 107 O ILE A 7 104.277 116.492 -35.113 1.00 0.00 O ATOM 108 CB ILE A 7 102.449 114.269 -36.810 1.00 0.00 C ATOM 109 CG1 ILE A 7 101.018 113.809 -37.070 1.00 0.00 C ATOM 110 CG2 ILE A 7 103.040 113.518 -35.615 1.00 0.00 C ATOM 111 CD1 ILE A 7 100.170 113.876 -35.802 1.00 0.00 C ATOM 0 H ILE A 7 101.711 115.859 -38.565 1.00 0.00 H new ATOM 0 HA ILE A 7 101.876 116.077 -35.778 1.00 0.00 H new ATOM 0 HB ILE A 7 103.051 114.034 -37.688 1.00 0.00 H new ATOM 0 HG12 ILE A 7 100.569 114.433 -37.843 1.00 0.00 H new ATOM 0 HG13 ILE A 7 101.026 112.787 -37.450 1.00 0.00 H new ATOM 0 HG21 ILE A 7 102.975 112.444 -35.792 1.00 0.00 H new ATOM 0 HG22 ILE A 7 104.084 113.803 -35.487 1.00 0.00 H new ATOM 0 HG23 ILE A 7 102.482 113.771 -34.714 1.00 0.00 H new ATOM 0 HD11 ILE A 7 99.157 113.541 -36.024 1.00 0.00 H new ATOM 0 HD12 ILE A 7 100.606 113.232 -35.038 1.00 0.00 H new ATOM 0 HD13 ILE A 7 100.141 114.903 -35.437 1.00 0.00 H new ATOM 123 N ILE A 8 104.791 116.211 -37.312 1.00 0.00 N ATOM 124 CA ILE A 8 106.150 116.708 -37.171 1.00 0.00 C ATOM 125 C ILE A 8 106.171 118.153 -36.622 1.00 0.00 C ATOM 126 O ILE A 8 106.954 118.485 -35.741 1.00 0.00 O ATOM 127 CB ILE A 8 106.836 116.650 -38.540 1.00 0.00 C ATOM 128 CG1 ILE A 8 106.851 115.223 -39.102 1.00 0.00 C ATOM 129 CG2 ILE A 8 108.255 117.213 -38.461 1.00 0.00 C ATOM 130 CD1 ILE A 8 107.141 115.197 -40.602 1.00 0.00 C ATOM 0 H ILE A 8 104.547 115.884 -38.247 1.00 0.00 H new ATOM 0 HA ILE A 8 106.684 116.083 -36.455 1.00 0.00 H new ATOM 0 HB ILE A 8 106.256 117.270 -39.224 1.00 0.00 H new ATOM 0 HG12 ILE A 8 107.605 114.636 -38.578 1.00 0.00 H new ATOM 0 HG13 ILE A 8 105.888 114.749 -38.911 1.00 0.00 H new ATOM 0 HG21 ILE A 8 108.722 117.161 -39.444 1.00 0.00 H new ATOM 0 HG22 ILE A 8 108.217 118.251 -38.131 1.00 0.00 H new ATOM 0 HG23 ILE A 8 108.839 116.628 -37.751 1.00 0.00 H new ATOM 0 HD11 ILE A 8 107.141 114.166 -40.955 1.00 0.00 H new ATOM 0 HD12 ILE A 8 106.373 115.761 -41.131 1.00 0.00 H new ATOM 0 HD13 ILE A 8 108.116 115.646 -40.792 1.00 0.00 H new ATOM 142 N LYS A 9 105.270 118.979 -37.193 1.00 0.00 N ATOM 143 CA LYS A 9 105.133 120.344 -36.711 1.00 0.00 C ATOM 144 C LYS A 9 104.747 120.384 -35.219 1.00 0.00 C ATOM 145 O LYS A 9 105.376 121.059 -34.413 1.00 0.00 O ATOM 146 CB LYS A 9 104.025 121.015 -37.525 1.00 0.00 C ATOM 147 CG LYS A 9 104.110 122.541 -37.485 1.00 0.00 C ATOM 148 CD LYS A 9 104.451 123.125 -38.856 1.00 0.00 C ATOM 149 CE LYS A 9 103.289 122.990 -39.841 1.00 0.00 C ATOM 150 NZ LYS A 9 102.079 123.652 -39.369 1.00 0.00 N ATOM 0 H LYS A 9 104.651 118.725 -37.963 1.00 0.00 H new ATOM 0 HA LYS A 9 106.087 120.858 -36.824 1.00 0.00 H new ATOM 0 HB2 LYS A 9 104.084 120.678 -38.560 1.00 0.00 H new ATOM 0 HB3 LYS A 9 103.055 120.698 -37.142 1.00 0.00 H new ATOM 0 HG2 LYS A 9 103.159 122.949 -37.142 1.00 0.00 H new ATOM 0 HG3 LYS A 9 104.867 122.844 -36.762 1.00 0.00 H new ATOM 0 HD2 LYS A 9 104.713 124.177 -38.747 1.00 0.00 H new ATOM 0 HD3 LYS A 9 105.328 122.618 -39.258 1.00 0.00 H new ATOM 0 HE2 LYS A 9 103.580 123.414 -40.802 1.00 0.00 H new ATOM 0 HE3 LYS A 9 103.080 121.934 -40.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 101.476 123.893 -40.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 101.562 123.015 -38.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 102.335 124.521 -38.859 1.00 0.00 H new ATOM 164 N ALA A 10 103.679 119.620 -34.912 1.00 0.00 N ATOM 165 CA ALA A 10 103.028 119.750 -33.619 1.00 0.00 C ATOM 166 C ALA A 10 103.925 119.224 -32.487 1.00 0.00 C ATOM 167 O ALA A 10 104.083 119.861 -31.453 1.00 0.00 O ATOM 168 CB ALA A 10 101.707 118.980 -33.626 1.00 0.00 C ATOM 0 H ALA A 10 103.266 118.925 -35.534 1.00 0.00 H new ATOM 0 HA ALA A 10 102.838 120.808 -33.440 1.00 0.00 H new ATOM 0 HB1 ALA A 10 101.222 119.080 -32.655 1.00 0.00 H new ATOM 0 HB2 ALA A 10 101.055 119.384 -34.400 1.00 0.00 H new ATOM 0 HB3 ALA A 10 101.901 117.927 -33.828 1.00 0.00 H new ATOM 174 N SER A 11 104.498 118.028 -32.747 1.00 0.00 N ATOM 175 CA SER A 11 105.464 117.477 -31.814 1.00 0.00 C ATOM 176 C SER A 11 106.586 118.477 -31.468 1.00 0.00 C ATOM 177 O SER A 11 106.942 118.663 -30.311 1.00 0.00 O ATOM 178 CB SER A 11 106.076 116.200 -32.411 1.00 0.00 C ATOM 179 OG SER A 11 107.202 115.693 -31.705 1.00 0.00 O ATOM 0 H SER A 11 104.308 117.455 -33.569 1.00 0.00 H new ATOM 0 HA SER A 11 104.936 117.251 -30.888 1.00 0.00 H new ATOM 0 HB2 SER A 11 105.308 115.427 -32.445 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.371 116.402 -33.441 1.00 0.00 H new ATOM 0 HG SER A 11 107.009 114.785 -31.390 1.00 0.00 H new ATOM 185 N ASN A 12 107.100 119.088 -32.559 1.00 0.00 N ATOM 186 CA ASN A 12 108.208 120.037 -32.541 1.00 0.00 C ATOM 187 C ASN A 12 109.467 119.363 -33.079 1.00 0.00 C ATOM 188 O ASN A 12 110.432 119.117 -32.365 1.00 0.00 O ATOM 189 CB ASN A 12 108.473 120.632 -31.154 1.00 0.00 C ATOM 190 CG ASN A 12 109.466 121.790 -31.267 1.00 0.00 C ATOM 191 OD1 ASN A 12 110.660 121.644 -31.035 1.00 0.00 O ATOM 192 ND2 ASN A 12 108.885 122.945 -31.638 1.00 0.00 N ATOM 0 H ASN A 12 106.737 118.922 -33.497 1.00 0.00 H new ATOM 0 HA ASN A 12 107.925 120.872 -33.182 1.00 0.00 H new ATOM 0 HB2 ASN A 12 107.539 120.983 -30.715 1.00 0.00 H new ATOM 0 HB3 ASN A 12 108.869 119.865 -30.489 1.00 0.00 H new ATOM 0 HD21 ASN A 12 109.449 123.788 -31.746 1.00 0.00 H new ATOM 0 HD22 ASN A 12 107.880 122.978 -31.812 1.00 0.00 H new ATOM 199 N ASP A 13 109.378 119.082 -34.395 1.00 0.00 N ATOM 200 CA ASP A 13 110.525 118.558 -35.129 1.00 0.00 C ATOM 201 C ASP A 13 111.245 117.424 -34.372 1.00 0.00 C ATOM 202 O ASP A 13 112.462 117.411 -34.239 1.00 0.00 O ATOM 203 CB ASP A 13 111.495 119.695 -35.458 1.00 0.00 C ATOM 204 CG ASP A 13 112.096 120.293 -34.183 1.00 0.00 C ATOM 205 OD1 ASP A 13 111.506 121.223 -33.636 1.00 0.00 O ATOM 206 OD2 ASP A 13 113.149 119.824 -33.753 1.00 0.00 O ATOM 0 H ASP A 13 108.535 119.210 -34.955 1.00 0.00 H new ATOM 0 HA ASP A 13 110.151 118.122 -36.055 1.00 0.00 H new ATOM 0 HB2 ASP A 13 112.293 119.322 -36.100 1.00 0.00 H new ATOM 0 HB3 ASP A 13 110.973 120.472 -36.017 1.00 0.00 H new ATOM 211 N VAL A 14 110.410 116.478 -33.897 1.00 0.00 N ATOM 212 CA VAL A 14 110.909 115.152 -33.572 1.00 0.00 C ATOM 213 C VAL A 14 110.717 114.221 -34.775 1.00 0.00 C ATOM 214 O VAL A 14 111.670 113.696 -35.340 1.00 0.00 O ATOM 215 CB VAL A 14 110.144 114.630 -32.355 1.00 0.00 C ATOM 216 CG1 VAL A 14 110.447 113.157 -32.074 1.00 0.00 C ATOM 217 CG2 VAL A 14 110.449 115.488 -31.126 1.00 0.00 C ATOM 0 H VAL A 14 109.412 116.614 -33.737 1.00 0.00 H new ATOM 0 HA VAL A 14 111.973 115.192 -33.339 1.00 0.00 H new ATOM 0 HB VAL A 14 109.080 114.702 -32.582 1.00 0.00 H new ATOM 0 HG11 VAL A 14 109.882 112.829 -31.201 1.00 0.00 H new ATOM 0 HG12 VAL A 14 110.162 112.556 -32.937 1.00 0.00 H new ATOM 0 HG13 VAL A 14 111.513 113.035 -31.883 1.00 0.00 H new ATOM 0 HG21 VAL A 14 109.897 115.104 -30.268 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.518 115.454 -30.915 1.00 0.00 H new ATOM 0 HG23 VAL A 14 110.150 116.518 -31.318 1.00 0.00 H new ATOM 227 N LEU A 15 109.427 114.055 -35.126 1.00 0.00 N ATOM 228 CA LEU A 15 109.100 113.011 -36.079 1.00 0.00 C ATOM 229 C LEU A 15 109.732 113.337 -37.435 1.00 0.00 C ATOM 230 O LEU A 15 110.205 114.440 -37.684 1.00 0.00 O ATOM 231 CB LEU A 15 107.580 112.888 -36.257 1.00 0.00 C ATOM 232 CG LEU A 15 106.795 112.485 -35.003 1.00 0.00 C ATOM 233 CD1 LEU A 15 107.205 111.121 -34.442 1.00 0.00 C ATOM 234 CD2 LEU A 15 106.859 113.558 -33.918 1.00 0.00 C ATOM 0 H LEU A 15 108.641 114.605 -34.779 1.00 0.00 H new ATOM 0 HA LEU A 15 109.490 112.067 -35.697 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.196 113.844 -36.612 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.382 112.154 -37.039 1.00 0.00 H new ATOM 0 HG LEU A 15 105.759 112.391 -35.330 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.610 110.898 -33.556 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.035 110.352 -35.195 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.261 111.140 -34.175 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.289 113.230 -33.048 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.897 113.723 -33.631 1.00 0.00 H new ATOM 0 HD23 LEU A 15 106.436 114.487 -34.300 1.00 0.00 H new ATOM 246 N ASN A 16 109.702 112.295 -38.286 1.00 0.00 N ATOM 247 CA ASN A 16 109.630 112.527 -39.722 1.00 0.00 C ATOM 248 C ASN A 16 108.159 112.433 -40.163 1.00 0.00 C ATOM 249 O ASN A 16 107.244 112.519 -39.353 1.00 0.00 O ATOM 250 CB ASN A 16 110.513 111.500 -40.444 1.00 0.00 C ATOM 251 CG ASN A 16 111.981 111.683 -40.048 1.00 0.00 C ATOM 252 OD1 ASN A 16 112.538 110.927 -39.262 1.00 0.00 O ATOM 253 ND2 ASN A 16 112.560 112.738 -40.649 1.00 0.00 N ATOM 0 H ASN A 16 109.726 111.315 -38.006 1.00 0.00 H new ATOM 0 HA ASN A 16 110.000 113.520 -39.978 1.00 0.00 H new ATOM 0 HB2 ASN A 16 110.186 110.491 -40.194 1.00 0.00 H new ATOM 0 HB3 ASN A 16 110.404 111.613 -41.523 1.00 0.00 H new ATOM 0 HD21 ASN A 16 113.538 112.958 -40.461 1.00 0.00 H new ATOM 0 HD22 ASN A 16 112.021 113.317 -41.292 1.00 0.00 H new ATOM 260 N GLU A 17 107.985 112.249 -41.488 1.00 0.00 N ATOM 261 CA GLU A 17 106.818 111.517 -41.966 1.00 0.00 C ATOM 262 C GLU A 17 106.661 110.153 -41.265 1.00 0.00 C ATOM 263 O GLU A 17 105.607 109.824 -40.738 1.00 0.00 O ATOM 264 CB GLU A 17 106.934 111.312 -43.477 1.00 0.00 C ATOM 265 CG GLU A 17 106.775 112.625 -44.244 1.00 0.00 C ATOM 266 CD GLU A 17 107.356 112.480 -45.652 1.00 0.00 C ATOM 267 OE1 GLU A 17 108.446 111.927 -45.784 1.00 0.00 O ATOM 268 OE2 GLU A 17 106.711 112.923 -46.601 1.00 0.00 O ATOM 0 H GLU A 17 108.617 112.587 -42.214 1.00 0.00 H new ATOM 0 HA GLU A 17 105.933 112.108 -41.731 1.00 0.00 H new ATOM 0 HB2 GLU A 17 107.903 110.870 -43.710 1.00 0.00 H new ATOM 0 HB3 GLU A 17 106.173 110.604 -43.807 1.00 0.00 H new ATOM 0 HG2 GLU A 17 105.721 112.897 -44.302 1.00 0.00 H new ATOM 0 HG3 GLU A 17 107.283 113.430 -43.713 1.00 0.00 H new ATOM 275 N LYS A 18 107.771 109.392 -41.298 1.00 0.00 N ATOM 276 CA LYS A 18 107.668 107.968 -41.023 1.00 0.00 C ATOM 277 C LYS A 18 107.207 107.697 -39.580 1.00 0.00 C ATOM 278 O LYS A 18 106.288 106.923 -39.340 1.00 0.00 O ATOM 279 CB LYS A 18 109.026 107.316 -41.275 1.00 0.00 C ATOM 280 CG LYS A 18 109.505 107.550 -42.704 1.00 0.00 C ATOM 281 CD LYS A 18 110.719 106.688 -43.038 1.00 0.00 C ATOM 282 CE LYS A 18 111.762 107.461 -43.849 1.00 0.00 C ATOM 283 NZ LYS A 18 112.299 106.692 -44.965 1.00 0.00 N ATOM 0 H LYS A 18 108.710 109.732 -41.505 1.00 0.00 H new ATOM 0 HA LYS A 18 106.917 107.540 -41.687 1.00 0.00 H new ATOM 0 HB2 LYS A 18 109.759 107.718 -40.575 1.00 0.00 H new ATOM 0 HB3 LYS A 18 108.957 106.245 -41.085 1.00 0.00 H new ATOM 0 HG2 LYS A 18 108.697 107.327 -43.400 1.00 0.00 H new ATOM 0 HG3 LYS A 18 109.758 108.602 -42.836 1.00 0.00 H new ATOM 0 HD2 LYS A 18 111.172 106.326 -42.115 1.00 0.00 H new ATOM 0 HD3 LYS A 18 110.398 105.811 -43.601 1.00 0.00 H new ATOM 0 HE2 LYS A 18 111.312 108.378 -44.230 1.00 0.00 H new ATOM 0 HE3 LYS A 18 112.580 107.756 -43.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 112.999 107.266 -45.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 112.755 105.829 -44.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 111.526 106.432 -45.611 1.00 0.00 H new ATOM 297 N THR A 19 107.892 108.379 -38.642 1.00 0.00 N ATOM 298 CA THR A 19 107.488 108.260 -37.248 1.00 0.00 C ATOM 299 C THR A 19 106.141 108.945 -36.939 1.00 0.00 C ATOM 300 O THR A 19 105.397 108.497 -36.076 1.00 0.00 O ATOM 301 CB THR A 19 108.593 108.823 -36.353 1.00 0.00 C ATOM 302 OG1 THR A 19 108.915 110.143 -36.726 1.00 0.00 O ATOM 303 CG2 THR A 19 109.839 107.933 -36.375 1.00 0.00 C ATOM 0 H THR A 19 108.690 108.989 -38.821 1.00 0.00 H new ATOM 0 HA THR A 19 107.338 107.200 -37.044 1.00 0.00 H new ATOM 0 HB THR A 19 108.215 108.838 -35.331 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.887 110.266 -36.689 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.604 108.362 -35.728 1.00 0.00 H new ATOM 0 HG22 THR A 19 109.580 106.936 -36.018 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.220 107.866 -37.394 1.00 0.00 H new ATOM 311 N ALA A 20 105.867 110.043 -37.667 1.00 0.00 N ATOM 312 CA ALA A 20 104.593 110.708 -37.468 1.00 0.00 C ATOM 313 C ALA A 20 103.405 109.789 -37.816 1.00 0.00 C ATOM 314 O ALA A 20 102.444 109.693 -37.065 1.00 0.00 O ATOM 315 CB ALA A 20 104.558 111.941 -38.374 1.00 0.00 C ATOM 0 H ALA A 20 106.484 110.463 -38.362 1.00 0.00 H new ATOM 0 HA ALA A 20 104.500 110.982 -36.417 1.00 0.00 H new ATOM 0 HB1 ALA A 20 103.609 112.461 -38.244 1.00 0.00 H new ATOM 0 HB2 ALA A 20 105.377 112.610 -38.110 1.00 0.00 H new ATOM 0 HB3 ALA A 20 104.663 111.632 -39.414 1.00 0.00 H new ATOM 321 N THR A 21 103.523 109.121 -38.981 1.00 0.00 N ATOM 322 CA THR A 21 102.466 108.194 -39.366 1.00 0.00 C ATOM 323 C THR A 21 102.385 106.961 -38.440 1.00 0.00 C ATOM 324 O THR A 21 101.306 106.472 -38.131 1.00 0.00 O ATOM 325 CB THR A 21 102.622 107.812 -40.845 1.00 0.00 C ATOM 326 OG1 THR A 21 101.391 107.409 -41.406 1.00 0.00 O ATOM 327 CG2 THR A 21 103.716 106.773 -41.103 1.00 0.00 C ATOM 0 H THR A 21 104.301 109.204 -39.635 1.00 0.00 H new ATOM 0 HA THR A 21 101.510 108.702 -39.243 1.00 0.00 H new ATOM 0 HB THR A 21 102.951 108.721 -41.349 1.00 0.00 H new ATOM 0 HG1 THR A 21 101.522 107.174 -42.348 1.00 0.00 H new ATOM 0 HG21 THR A 21 103.766 106.554 -42.170 1.00 0.00 H new ATOM 0 HG22 THR A 21 104.676 107.165 -40.767 1.00 0.00 H new ATOM 0 HG23 THR A 21 103.486 105.859 -40.556 1.00 0.00 H new ATOM 335 N ILE A 22 103.574 106.486 -38.027 1.00 0.00 N ATOM 336 CA ILE A 22 103.607 105.293 -37.193 1.00 0.00 C ATOM 337 C ILE A 22 103.013 105.567 -35.799 1.00 0.00 C ATOM 338 O ILE A 22 102.144 104.846 -35.324 1.00 0.00 O ATOM 339 CB ILE A 22 105.057 104.819 -37.069 1.00 0.00 C ATOM 340 CG1 ILE A 22 105.616 104.413 -38.434 1.00 0.00 C ATOM 341 CG2 ILE A 22 105.212 103.725 -36.004 1.00 0.00 C ATOM 342 CD1 ILE A 22 105.647 102.900 -38.668 1.00 0.00 C ATOM 0 H ILE A 22 104.482 106.895 -38.249 1.00 0.00 H new ATOM 0 HA ILE A 22 102.999 104.518 -37.659 1.00 0.00 H new ATOM 0 HB ILE A 22 105.660 105.657 -36.719 1.00 0.00 H new ATOM 0 HG12 ILE A 22 105.015 104.879 -39.215 1.00 0.00 H new ATOM 0 HG13 ILE A 22 106.628 104.807 -38.533 1.00 0.00 H new ATOM 0 HG21 ILE A 22 106.256 103.417 -35.948 1.00 0.00 H new ATOM 0 HG22 ILE A 22 104.896 104.113 -35.036 1.00 0.00 H new ATOM 0 HG23 ILE A 22 104.594 102.867 -36.271 1.00 0.00 H new ATOM 0 HD11 ILE A 22 106.056 102.693 -39.657 1.00 0.00 H new ATOM 0 HD12 ILE A 22 106.272 102.427 -37.911 1.00 0.00 H new ATOM 0 HD13 ILE A 22 104.635 102.501 -38.603 1.00 0.00 H new ATOM 354 N LEU A 23 103.535 106.646 -35.183 1.00 0.00 N ATOM 355 CA LEU A 23 102.929 107.141 -33.955 1.00 0.00 C ATOM 356 C LEU A 23 101.406 107.362 -34.102 1.00 0.00 C ATOM 357 O LEU A 23 100.646 107.123 -33.175 1.00 0.00 O ATOM 358 CB LEU A 23 103.628 108.452 -33.565 1.00 0.00 C ATOM 359 CG LEU A 23 102.875 109.300 -32.533 1.00 0.00 C ATOM 360 CD1 LEU A 23 102.694 108.529 -31.224 1.00 0.00 C ATOM 361 CD2 LEU A 23 103.594 110.629 -32.292 1.00 0.00 C ATOM 0 H LEU A 23 104.347 107.169 -35.510 1.00 0.00 H new ATOM 0 HA LEU A 23 103.059 106.392 -33.174 1.00 0.00 H new ATOM 0 HB2 LEU A 23 104.616 108.217 -33.170 1.00 0.00 H new ATOM 0 HB3 LEU A 23 103.778 109.049 -34.465 1.00 0.00 H new ATOM 0 HG LEU A 23 101.885 109.521 -32.932 1.00 0.00 H new ATOM 0 HD11 LEU A 23 102.157 109.150 -30.507 1.00 0.00 H new ATOM 0 HD12 LEU A 23 102.124 107.619 -31.413 1.00 0.00 H new ATOM 0 HD13 LEU A 23 103.671 108.267 -30.818 1.00 0.00 H new ATOM 0 HD21 LEU A 23 103.041 111.213 -31.556 1.00 0.00 H new ATOM 0 HD22 LEU A 23 104.600 110.436 -31.920 1.00 0.00 H new ATOM 0 HD23 LEU A 23 103.653 111.186 -33.227 1.00 0.00 H new ATOM 373 N ILE A 24 101.013 107.843 -35.298 1.00 0.00 N ATOM 374 CA ILE A 24 99.596 107.992 -35.582 1.00 0.00 C ATOM 375 C ILE A 24 98.865 106.638 -35.599 1.00 0.00 C ATOM 376 O ILE A 24 97.795 106.489 -35.024 1.00 0.00 O ATOM 377 CB ILE A 24 99.456 108.758 -36.895 1.00 0.00 C ATOM 378 CG1 ILE A 24 99.852 110.210 -36.644 1.00 0.00 C ATOM 379 CG2 ILE A 24 98.081 108.605 -37.552 1.00 0.00 C ATOM 380 CD1 ILE A 24 98.688 111.117 -36.227 1.00 0.00 C ATOM 0 H ILE A 24 101.641 108.123 -36.051 1.00 0.00 H new ATOM 0 HA ILE A 24 99.114 108.559 -34.785 1.00 0.00 H new ATOM 0 HB ILE A 24 100.132 108.325 -37.632 1.00 0.00 H new ATOM 0 HG12 ILE A 24 100.615 110.237 -35.866 1.00 0.00 H new ATOM 0 HG13 ILE A 24 100.305 110.613 -37.550 1.00 0.00 H new ATOM 0 HG21 ILE A 24 98.055 109.176 -38.480 1.00 0.00 H new ATOM 0 HG22 ILE A 24 97.896 107.553 -37.769 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.311 108.977 -36.876 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.055 112.131 -36.068 1.00 0.00 H new ATOM 0 HD12 ILE A 24 97.932 111.124 -37.013 1.00 0.00 H new ATOM 0 HD13 ILE A 24 98.248 110.742 -35.303 1.00 0.00 H new ATOM 392 N THR A 25 99.493 105.673 -36.293 1.00 0.00 N ATOM 393 CA THR A 25 98.817 104.396 -36.459 1.00 0.00 C ATOM 394 C THR A 25 98.553 103.721 -35.096 1.00 0.00 C ATOM 395 O THR A 25 97.450 103.263 -34.823 1.00 0.00 O ATOM 396 CB THR A 25 99.643 103.472 -37.365 1.00 0.00 C ATOM 397 OG1 THR A 25 100.408 104.183 -38.314 1.00 0.00 O ATOM 398 CG2 THR A 25 98.758 102.442 -38.072 1.00 0.00 C ATOM 0 H THR A 25 100.415 105.751 -36.722 1.00 0.00 H new ATOM 0 HA THR A 25 97.852 104.583 -36.931 1.00 0.00 H new ATOM 0 HB THR A 25 100.337 102.949 -36.707 1.00 0.00 H new ATOM 0 HG1 THR A 25 101.037 104.775 -37.850 1.00 0.00 H new ATOM 0 HG21 THR A 25 99.376 101.805 -38.705 1.00 0.00 H new ATOM 0 HG22 THR A 25 98.248 101.830 -37.329 1.00 0.00 H new ATOM 0 HG23 THR A 25 98.020 102.957 -38.686 1.00 0.00 H new ATOM 406 N ILE A 26 99.615 103.687 -34.263 1.00 0.00 N ATOM 407 CA ILE A 26 99.406 103.266 -32.881 1.00 0.00 C ATOM 408 C ILE A 26 98.417 104.191 -32.150 1.00 0.00 C ATOM 409 O ILE A 26 97.462 103.746 -31.525 1.00 0.00 O ATOM 410 CB ILE A 26 100.732 103.287 -32.118 1.00 0.00 C ATOM 411 CG1 ILE A 26 101.834 102.477 -32.810 1.00 0.00 C ATOM 412 CG2 ILE A 26 100.531 102.814 -30.678 1.00 0.00 C ATOM 413 CD1 ILE A 26 103.181 103.183 -32.684 1.00 0.00 C ATOM 0 H ILE A 26 100.573 103.933 -34.513 1.00 0.00 H new ATOM 0 HA ILE A 26 98.996 102.257 -32.911 1.00 0.00 H new ATOM 0 HB ILE A 26 101.072 104.323 -32.108 1.00 0.00 H new ATOM 0 HG12 ILE A 26 101.895 101.483 -32.366 1.00 0.00 H new ATOM 0 HG13 ILE A 26 101.586 102.341 -33.863 1.00 0.00 H new ATOM 0 HG21 ILE A 26 101.485 102.836 -30.151 1.00 0.00 H new ATOM 0 HG22 ILE A 26 99.823 103.472 -30.174 1.00 0.00 H new ATOM 0 HG23 ILE A 26 100.141 101.796 -30.680 1.00 0.00 H new ATOM 0 HD11 ILE A 26 103.950 102.592 -33.182 1.00 0.00 H new ATOM 0 HD12 ILE A 26 103.121 104.167 -33.150 1.00 0.00 H new ATOM 0 HD13 ILE A 26 103.436 103.296 -31.630 1.00 0.00 H new ATOM 425 N ALA A 27 98.714 105.499 -32.275 1.00 0.00 N ATOM 426 CA ALA A 27 98.011 106.494 -31.467 1.00 0.00 C ATOM 427 C ALA A 27 96.480 106.363 -31.586 1.00 0.00 C ATOM 428 O ALA A 27 95.762 106.372 -30.593 1.00 0.00 O ATOM 429 CB ALA A 27 98.407 107.898 -31.929 1.00 0.00 C ATOM 0 H ALA A 27 99.417 105.876 -32.911 1.00 0.00 H new ATOM 0 HA ALA A 27 98.294 106.325 -30.428 1.00 0.00 H new ATOM 0 HB1 ALA A 27 97.883 108.640 -31.327 1.00 0.00 H new ATOM 0 HB2 ALA A 27 99.483 108.030 -31.812 1.00 0.00 H new ATOM 0 HB3 ALA A 27 98.138 108.026 -32.977 1.00 0.00 H new ATOM 435 N LYS A 28 96.031 106.243 -32.853 1.00 0.00 N ATOM 436 CA LYS A 28 94.626 105.967 -33.113 1.00 0.00 C ATOM 437 C LYS A 28 94.160 104.714 -32.355 1.00 0.00 C ATOM 438 O LYS A 28 93.229 104.749 -31.560 1.00 0.00 O ATOM 439 CB LYS A 28 94.396 105.796 -34.622 1.00 0.00 C ATOM 440 CG LYS A 28 93.073 106.423 -35.063 1.00 0.00 C ATOM 441 CD LYS A 28 92.350 105.565 -36.102 1.00 0.00 C ATOM 442 CE LYS A 28 90.942 106.086 -36.392 1.00 0.00 C ATOM 443 NZ LYS A 28 90.938 107.161 -37.378 1.00 0.00 N ATOM 0 H LYS A 28 96.614 106.332 -33.685 1.00 0.00 H new ATOM 0 HA LYS A 28 94.038 106.813 -32.757 1.00 0.00 H new ATOM 0 HB2 LYS A 28 95.218 106.256 -35.171 1.00 0.00 H new ATOM 0 HB3 LYS A 28 94.399 104.735 -34.873 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.429 106.559 -34.194 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.262 107.413 -35.478 1.00 0.00 H new ATOM 0 HD2 LYS A 28 92.929 105.549 -37.026 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.290 104.537 -35.746 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.321 105.265 -36.751 1.00 0.00 H new ATOM 0 HE3 LYS A 28 90.493 106.445 -35.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 89.961 107.480 -37.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 91.508 107.957 -37.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.342 106.814 -38.271 1.00 0.00 H new ATOM 457 N LYS A 29 94.875 103.615 -32.661 1.00 0.00 N ATOM 458 CA LYS A 29 94.370 102.302 -32.314 1.00 0.00 C ATOM 459 C LYS A 29 94.943 101.874 -30.956 1.00 0.00 C ATOM 460 O LYS A 29 96.149 101.782 -30.762 1.00 0.00 O ATOM 461 CB LYS A 29 94.795 101.300 -33.381 1.00 0.00 C ATOM 462 CG LYS A 29 94.189 99.931 -33.115 1.00 0.00 C ATOM 463 CD LYS A 29 94.480 98.970 -34.261 1.00 0.00 C ATOM 464 CE LYS A 29 93.348 98.945 -35.290 1.00 0.00 C ATOM 465 NZ LYS A 29 92.463 97.798 -35.119 1.00 0.00 N ATOM 0 H LYS A 29 95.778 103.621 -33.135 1.00 0.00 H new ATOM 0 HA LYS A 29 93.282 102.335 -32.254 1.00 0.00 H new ATOM 0 HB2 LYS A 29 94.483 101.655 -34.363 1.00 0.00 H new ATOM 0 HB3 LYS A 29 95.882 101.223 -33.400 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.591 99.526 -32.186 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.111 100.027 -32.981 1.00 0.00 H new ATOM 0 HD2 LYS A 29 95.409 99.261 -34.751 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.630 97.966 -33.863 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.767 99.864 -35.208 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.774 98.925 -36.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 91.554 97.989 -35.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.901 96.956 -35.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 92.303 97.631 -34.105 1.00 0.00 H new ATOM 479 N ASP A 30 93.991 101.622 -30.040 1.00 0.00 N ATOM 480 CA ASP A 30 94.333 101.261 -28.680 1.00 0.00 C ATOM 481 C ASP A 30 94.437 99.735 -28.559 1.00 0.00 C ATOM 482 O ASP A 30 93.448 99.015 -28.622 1.00 0.00 O ATOM 483 CB ASP A 30 93.238 101.774 -27.750 1.00 0.00 C ATOM 484 CG ASP A 30 93.237 103.304 -27.731 1.00 0.00 C ATOM 485 OD1 ASP A 30 92.718 103.902 -28.672 1.00 0.00 O ATOM 486 OD2 ASP A 30 93.757 103.879 -26.775 1.00 0.00 O ATOM 0 H ASP A 30 92.990 101.665 -30.229 1.00 0.00 H new ATOM 0 HA ASP A 30 95.292 101.703 -28.409 1.00 0.00 H new ATOM 0 HB2 ASP A 30 92.267 101.406 -28.082 1.00 0.00 H new ATOM 0 HB3 ASP A 30 93.397 101.390 -26.742 1.00 0.00 H new ATOM 491 N PHE A 31 95.698 99.300 -28.383 1.00 0.00 N ATOM 492 CA PHE A 31 96.041 97.914 -28.676 1.00 0.00 C ATOM 493 C PHE A 31 95.793 97.626 -30.167 1.00 0.00 C ATOM 494 O PHE A 31 95.021 96.749 -30.535 1.00 0.00 O ATOM 495 CB PHE A 31 95.247 96.908 -27.814 1.00 0.00 C ATOM 496 CG PHE A 31 95.268 97.133 -26.315 1.00 0.00 C ATOM 497 CD1 PHE A 31 96.263 97.927 -25.683 1.00 0.00 C ATOM 498 CD2 PHE A 31 94.260 96.539 -25.511 1.00 0.00 C ATOM 499 CE1 PHE A 31 96.233 98.145 -24.284 1.00 0.00 C ATOM 500 CE2 PHE A 31 94.234 96.743 -24.110 1.00 0.00 C ATOM 501 CZ PHE A 31 95.220 97.550 -23.495 1.00 0.00 C ATOM 0 H PHE A 31 96.470 99.876 -28.049 1.00 0.00 H new ATOM 0 HA PHE A 31 97.096 97.784 -28.433 1.00 0.00 H new ATOM 0 HB2 PHE A 31 94.209 96.920 -28.146 1.00 0.00 H new ATOM 0 HB3 PHE A 31 95.634 95.909 -28.014 1.00 0.00 H new ATOM 0 HD1 PHE A 31 97.050 98.369 -26.276 1.00 0.00 H new ATOM 0 HD2 PHE A 31 93.503 95.923 -25.974 1.00 0.00 H new ATOM 0 HE1 PHE A 31 96.984 98.766 -23.819 1.00 0.00 H new ATOM 0 HE2 PHE A 31 93.462 96.283 -23.511 1.00 0.00 H new ATOM 0 HZ PHE A 31 95.200 97.711 -22.427 1.00 0.00 H new ATOM 511 N ILE A 32 96.504 98.427 -30.988 1.00 0.00 N ATOM 512 CA ILE A 32 97.222 97.928 -32.147 1.00 0.00 C ATOM 513 C ILE A 32 98.112 96.732 -31.765 1.00 0.00 C ATOM 514 O ILE A 32 97.914 96.084 -30.747 1.00 0.00 O ATOM 515 CB ILE A 32 98.003 99.099 -32.774 1.00 0.00 C ATOM 516 CG1 ILE A 32 98.184 98.871 -34.269 1.00 0.00 C ATOM 517 CG2 ILE A 32 99.347 99.362 -32.092 1.00 0.00 C ATOM 518 CD1 ILE A 32 98.367 100.183 -35.027 1.00 0.00 C ATOM 0 H ILE A 32 96.587 99.435 -30.854 1.00 0.00 H new ATOM 0 HA ILE A 32 96.530 97.545 -32.897 1.00 0.00 H new ATOM 0 HB ILE A 32 97.406 99.997 -32.617 1.00 0.00 H new ATOM 0 HG12 ILE A 32 99.050 98.231 -34.436 1.00 0.00 H new ATOM 0 HG13 ILE A 32 97.316 98.342 -34.663 1.00 0.00 H new ATOM 0 HG21 ILE A 32 99.846 100.198 -32.581 1.00 0.00 H new ATOM 0 HG22 ILE A 32 99.181 99.602 -31.042 1.00 0.00 H new ATOM 0 HG23 ILE A 32 99.973 98.473 -32.166 1.00 0.00 H new ATOM 0 HD11 ILE A 32 98.493 99.975 -36.090 1.00 0.00 H new ATOM 0 HD12 ILE A 32 97.489 100.813 -34.882 1.00 0.00 H new ATOM 0 HD13 ILE A 32 99.250 100.700 -34.652 1.00 0.00 H new ATOM 530 N THR A 33 99.088 96.472 -32.651 1.00 0.00 N ATOM 531 CA THR A 33 100.408 96.100 -32.163 1.00 0.00 C ATOM 532 C THR A 33 101.466 96.698 -33.099 1.00 0.00 C ATOM 533 O THR A 33 101.164 97.430 -34.034 1.00 0.00 O ATOM 534 CB THR A 33 100.533 94.565 -32.086 1.00 0.00 C ATOM 535 OG1 THR A 33 100.738 93.959 -33.342 1.00 0.00 O ATOM 536 CG2 THR A 33 99.332 93.914 -31.389 1.00 0.00 C ATOM 0 H THR A 33 98.988 96.512 -33.665 1.00 0.00 H new ATOM 0 HA THR A 33 100.561 96.493 -31.158 1.00 0.00 H new ATOM 0 HB THR A 33 101.424 94.390 -31.483 1.00 0.00 H new ATOM 0 HG1 THR A 33 99.872 93.795 -33.771 1.00 0.00 H new ATOM 0 HG21 THR A 33 99.470 92.833 -31.361 1.00 0.00 H new ATOM 0 HG22 THR A 33 99.251 94.296 -30.371 1.00 0.00 H new ATOM 0 HG23 THR A 33 98.421 94.150 -31.939 1.00 0.00 H new ATOM 544 N ALA A 34 102.725 96.339 -32.790 1.00 0.00 N ATOM 545 CA ALA A 34 103.745 96.458 -33.826 1.00 0.00 C ATOM 546 C ALA A 34 103.378 95.693 -35.116 1.00 0.00 C ATOM 547 O ALA A 34 103.587 96.177 -36.221 1.00 0.00 O ATOM 548 CB ALA A 34 105.084 95.956 -33.284 1.00 0.00 C ATOM 0 H ALA A 34 103.041 95.986 -31.887 1.00 0.00 H new ATOM 0 HA ALA A 34 103.816 97.512 -34.093 1.00 0.00 H new ATOM 0 HB1 ALA A 34 105.846 96.045 -34.058 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.374 96.553 -32.419 1.00 0.00 H new ATOM 0 HB3 ALA A 34 104.988 94.911 -32.988 1.00 0.00 H new ATOM 554 N ALA A 35 102.827 94.482 -34.905 1.00 0.00 N ATOM 555 CA ALA A 35 102.407 93.651 -36.024 1.00 0.00 C ATOM 556 C ALA A 35 101.418 94.390 -36.948 1.00 0.00 C ATOM 557 O ALA A 35 101.591 94.417 -38.159 1.00 0.00 O ATOM 558 CB ALA A 35 101.793 92.343 -35.502 1.00 0.00 C ATOM 0 H ALA A 35 102.669 94.073 -33.984 1.00 0.00 H new ATOM 0 HA ALA A 35 103.289 93.418 -36.621 1.00 0.00 H new ATOM 0 HB1 ALA A 35 101.481 91.726 -36.345 1.00 0.00 H new ATOM 0 HB2 ALA A 35 102.534 91.803 -34.912 1.00 0.00 H new ATOM 0 HB3 ALA A 35 100.928 92.570 -34.879 1.00 0.00 H new ATOM 564 N GLU A 36 100.378 94.980 -36.327 1.00 0.00 N ATOM 565 CA GLU A 36 99.433 95.710 -37.161 1.00 0.00 C ATOM 566 C GLU A 36 100.099 96.895 -37.897 1.00 0.00 C ATOM 567 O GLU A 36 99.819 97.148 -39.061 1.00 0.00 O ATOM 568 CB GLU A 36 98.240 96.202 -36.332 1.00 0.00 C ATOM 569 CG GLU A 36 96.920 95.851 -37.011 1.00 0.00 C ATOM 570 CD GLU A 36 95.752 96.117 -36.060 1.00 0.00 C ATOM 571 OE1 GLU A 36 95.826 95.693 -34.907 1.00 0.00 O ATOM 572 OE2 GLU A 36 94.782 96.744 -36.482 1.00 0.00 O ATOM 0 H GLU A 36 100.186 94.966 -35.325 1.00 0.00 H new ATOM 0 HA GLU A 36 99.074 95.013 -37.918 1.00 0.00 H new ATOM 0 HB2 GLU A 36 98.273 95.753 -35.339 1.00 0.00 H new ATOM 0 HB3 GLU A 36 98.307 97.281 -36.196 1.00 0.00 H new ATOM 0 HG2 GLU A 36 96.801 96.442 -37.919 1.00 0.00 H new ATOM 0 HG3 GLU A 36 96.924 94.803 -37.311 1.00 0.00 H new ATOM 579 N VAL A 37 100.982 97.600 -37.162 1.00 0.00 N ATOM 580 CA VAL A 37 101.693 98.704 -37.788 1.00 0.00 C ATOM 581 C VAL A 37 102.532 98.241 -39.000 1.00 0.00 C ATOM 582 O VAL A 37 102.593 98.926 -40.013 1.00 0.00 O ATOM 583 CB VAL A 37 102.577 99.394 -36.746 1.00 0.00 C ATOM 584 CG1 VAL A 37 103.350 100.562 -37.359 1.00 0.00 C ATOM 585 CG2 VAL A 37 101.755 99.877 -35.543 1.00 0.00 C ATOM 0 H VAL A 37 101.205 97.428 -36.182 1.00 0.00 H new ATOM 0 HA VAL A 37 100.957 99.412 -38.169 1.00 0.00 H new ATOM 0 HB VAL A 37 103.294 98.653 -36.394 1.00 0.00 H new ATOM 0 HG11 VAL A 37 103.968 101.031 -36.593 1.00 0.00 H new ATOM 0 HG12 VAL A 37 103.986 100.195 -38.164 1.00 0.00 H new ATOM 0 HG13 VAL A 37 102.648 101.294 -37.757 1.00 0.00 H new ATOM 0 HG21 VAL A 37 102.414 100.362 -34.823 1.00 0.00 H new ATOM 0 HG22 VAL A 37 101.000 100.588 -35.880 1.00 0.00 H new ATOM 0 HG23 VAL A 37 101.266 99.025 -35.071 1.00 0.00 H new ATOM 595 N ARG A 38 103.189 97.071 -38.853 1.00 0.00 N ATOM 596 CA ARG A 38 103.707 96.409 -40.042 1.00 0.00 C ATOM 597 C ARG A 38 102.616 96.176 -41.114 1.00 0.00 C ATOM 598 O ARG A 38 102.818 96.429 -42.295 1.00 0.00 O ATOM 599 CB ARG A 38 104.346 95.083 -39.644 1.00 0.00 C ATOM 600 CG ARG A 38 105.490 95.279 -38.649 1.00 0.00 C ATOM 601 CD ARG A 38 106.634 94.288 -38.886 1.00 0.00 C ATOM 602 NE ARG A 38 106.596 93.206 -37.914 1.00 0.00 N ATOM 603 CZ ARG A 38 105.976 92.052 -38.230 1.00 0.00 C ATOM 604 NH1 ARG A 38 106.500 91.246 -39.149 1.00 0.00 N ATOM 605 NH2 ARG A 38 104.841 91.718 -37.623 1.00 0.00 N ATOM 0 H ARG A 38 103.361 96.595 -37.968 1.00 0.00 H new ATOM 0 HA ARG A 38 104.453 97.066 -40.489 1.00 0.00 H new ATOM 0 HB2 ARG A 38 103.590 94.433 -39.204 1.00 0.00 H new ATOM 0 HB3 ARG A 38 104.721 94.579 -40.535 1.00 0.00 H new ATOM 0 HG2 ARG A 38 105.870 96.297 -38.730 1.00 0.00 H new ATOM 0 HG3 ARG A 38 105.112 95.160 -37.634 1.00 0.00 H new ATOM 0 HD2 ARG A 38 106.563 93.879 -39.894 1.00 0.00 H new ATOM 0 HD3 ARG A 38 107.590 94.808 -38.820 1.00 0.00 H new ATOM 0 HE ARG A 38 107.035 93.320 -37.001 1.00 0.00 H new ATOM 0 HH11 ARG A 38 107.371 91.501 -39.614 1.00 0.00 H new ATOM 0 HH12 ARG A 38 106.031 90.372 -39.388 1.00 0.00 H new ATOM 0 HH21 ARG A 38 104.439 92.335 -36.918 1.00 0.00 H new ATOM 0 HH22 ARG A 38 104.372 90.844 -37.863 1.00 0.00 H new ATOM 619 N GLU A 39 101.461 95.680 -40.626 1.00 0.00 N ATOM 620 CA GLU A 39 100.488 95.073 -41.525 1.00 0.00 C ATOM 621 C GLU A 39 99.782 96.110 -42.418 1.00 0.00 C ATOM 622 O GLU A 39 99.560 95.884 -43.601 1.00 0.00 O ATOM 623 CB GLU A 39 99.441 94.328 -40.703 1.00 0.00 C ATOM 624 CG GLU A 39 100.051 93.144 -39.957 1.00 0.00 C ATOM 625 CD GLU A 39 99.567 91.807 -40.531 1.00 0.00 C ATOM 626 OE1 GLU A 39 98.356 91.618 -40.638 1.00 0.00 O ATOM 627 OE2 GLU A 39 100.407 90.972 -40.863 1.00 0.00 O ATOM 0 H GLU A 39 101.194 95.691 -39.642 1.00 0.00 H new ATOM 0 HA GLU A 39 101.030 94.390 -42.179 1.00 0.00 H new ATOM 0 HB2 GLU A 39 98.984 95.013 -39.989 1.00 0.00 H new ATOM 0 HB3 GLU A 39 98.646 93.975 -41.360 1.00 0.00 H new ATOM 0 HG2 GLU A 39 101.138 93.195 -40.019 1.00 0.00 H new ATOM 0 HG3 GLU A 39 99.788 93.204 -38.901 1.00 0.00 H new ATOM 719 N ASN A 46 108.734 98.467 -44.081 1.00 0.00 N ATOM 720 CA ASN A 46 108.811 97.509 -42.980 1.00 0.00 C ATOM 721 C ASN A 46 110.035 97.731 -42.066 1.00 0.00 C ATOM 722 O ASN A 46 109.922 97.707 -40.846 1.00 0.00 O ATOM 723 CB ASN A 46 108.831 96.082 -43.528 1.00 0.00 C ATOM 724 CG ASN A 46 110.034 95.861 -44.456 1.00 0.00 C ATOM 725 OD1 ASN A 46 110.013 96.214 -45.629 1.00 0.00 O ATOM 726 ND2 ASN A 46 111.076 95.255 -43.856 1.00 0.00 N ATOM 0 HA ASN A 46 107.923 97.667 -42.368 1.00 0.00 H new ATOM 0 HB2 ASN A 46 108.871 95.373 -42.701 1.00 0.00 H new ATOM 0 HB3 ASN A 46 107.907 95.886 -44.072 1.00 0.00 H new ATOM 0 HD21 ASN A 46 111.926 95.060 -44.385 1.00 0.00 H new ATOM 0 HD22 ASN A 46 111.015 94.991 -42.873 1.00 0.00 H new ATOM 733 N ALA A 47 111.197 97.945 -42.713 1.00 0.00 N ATOM 734 CA ALA A 47 112.382 98.216 -41.913 1.00 0.00 C ATOM 735 C ALA A 47 112.232 99.501 -41.075 1.00 0.00 C ATOM 736 O ALA A 47 112.538 99.519 -39.888 1.00 0.00 O ATOM 737 CB ALA A 47 113.601 98.330 -42.828 1.00 0.00 C ATOM 0 H ALA A 47 111.329 97.935 -43.724 1.00 0.00 H new ATOM 0 HA ALA A 47 112.513 97.386 -41.218 1.00 0.00 H new ATOM 0 HB1 ALA A 47 114.488 98.533 -42.228 1.00 0.00 H new ATOM 0 HB2 ALA A 47 113.737 97.395 -43.372 1.00 0.00 H new ATOM 0 HB3 ALA A 47 113.449 99.143 -43.537 1.00 0.00 H new ATOM 743 N VAL A 48 111.741 100.568 -41.741 1.00 0.00 N ATOM 744 CA VAL A 48 111.554 101.790 -40.963 1.00 0.00 C ATOM 745 C VAL A 48 110.500 101.603 -39.850 1.00 0.00 C ATOM 746 O VAL A 48 110.638 102.139 -38.761 1.00 0.00 O ATOM 747 CB VAL A 48 111.236 103.007 -41.853 1.00 0.00 C ATOM 748 CG1 VAL A 48 112.193 103.094 -43.040 1.00 0.00 C ATOM 749 CG2 VAL A 48 109.787 103.075 -42.341 1.00 0.00 C ATOM 0 H VAL A 48 111.489 100.606 -42.729 1.00 0.00 H new ATOM 0 HA VAL A 48 112.506 102.000 -40.476 1.00 0.00 H new ATOM 0 HB VAL A 48 111.379 103.870 -41.203 1.00 0.00 H new ATOM 0 HG11 VAL A 48 111.941 103.963 -43.647 1.00 0.00 H new ATOM 0 HG12 VAL A 48 113.216 103.190 -42.676 1.00 0.00 H new ATOM 0 HG13 VAL A 48 112.106 102.191 -43.645 1.00 0.00 H new ATOM 0 HG21 VAL A 48 109.653 103.962 -42.960 1.00 0.00 H new ATOM 0 HG22 VAL A 48 109.559 102.185 -42.928 1.00 0.00 H new ATOM 0 HG23 VAL A 48 109.116 103.126 -41.483 1.00 0.00 H new ATOM 759 N VAL A 49 109.456 100.822 -40.186 1.00 0.00 N ATOM 760 CA VAL A 49 108.305 100.666 -39.315 1.00 0.00 C ATOM 761 C VAL A 49 108.696 100.093 -37.940 1.00 0.00 C ATOM 762 O VAL A 49 108.232 100.558 -36.906 1.00 0.00 O ATOM 763 CB VAL A 49 107.279 99.763 -40.008 1.00 0.00 C ATOM 764 CG1 VAL A 49 106.066 99.538 -39.111 1.00 0.00 C ATOM 765 CG2 VAL A 49 106.847 100.336 -41.356 1.00 0.00 C ATOM 0 H VAL A 49 109.398 100.295 -41.057 1.00 0.00 H new ATOM 0 HA VAL A 49 107.871 101.649 -39.132 1.00 0.00 H new ATOM 0 HB VAL A 49 107.759 98.802 -40.193 1.00 0.00 H new ATOM 0 HG11 VAL A 49 105.350 98.894 -39.622 1.00 0.00 H new ATOM 0 HG12 VAL A 49 106.383 99.063 -38.183 1.00 0.00 H new ATOM 0 HG13 VAL A 49 105.597 100.496 -38.886 1.00 0.00 H new ATOM 0 HG21 VAL A 49 106.119 99.669 -41.818 1.00 0.00 H new ATOM 0 HG22 VAL A 49 106.397 101.317 -41.207 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.716 100.431 -42.006 1.00 0.00 H new ATOM 775 N ASN A 50 109.571 99.066 -37.986 1.00 0.00 N ATOM 776 CA ASN A 50 110.217 98.613 -36.761 1.00 0.00 C ATOM 777 C ASN A 50 110.923 99.768 -36.020 1.00 0.00 C ATOM 778 O ASN A 50 110.778 99.932 -34.815 1.00 0.00 O ATOM 779 CB ASN A 50 111.244 97.524 -37.099 1.00 0.00 C ATOM 780 CG ASN A 50 111.267 96.466 -35.994 1.00 0.00 C ATOM 781 OD1 ASN A 50 110.588 96.572 -34.980 1.00 0.00 O ATOM 782 ND2 ASN A 50 112.096 95.442 -36.266 1.00 0.00 N ATOM 0 H ASN A 50 109.832 98.558 -38.831 1.00 0.00 H new ATOM 0 HA ASN A 50 109.443 98.217 -36.103 1.00 0.00 H new ATOM 0 HB2 ASN A 50 110.994 97.060 -38.053 1.00 0.00 H new ATOM 0 HB3 ASN A 50 112.234 97.967 -37.210 1.00 0.00 H new ATOM 0 HD21 ASN A 50 112.194 94.675 -35.601 1.00 0.00 H new ATOM 0 HD22 ASN A 50 112.626 95.433 -37.137 1.00 0.00 H new ATOM 789 N SER A 51 111.688 100.549 -36.808 1.00 0.00 N ATOM 790 CA SER A 51 112.433 101.628 -36.177 1.00 0.00 C ATOM 791 C SER A 51 111.508 102.678 -35.521 1.00 0.00 C ATOM 792 O SER A 51 111.771 103.137 -34.418 1.00 0.00 O ATOM 793 CB SER A 51 113.348 102.298 -37.214 1.00 0.00 C ATOM 794 OG SER A 51 113.802 103.599 -36.864 1.00 0.00 O ATOM 0 H SER A 51 111.797 100.456 -37.818 1.00 0.00 H new ATOM 0 HA SER A 51 113.034 101.192 -35.379 1.00 0.00 H new ATOM 0 HB2 SER A 51 114.216 101.659 -37.378 1.00 0.00 H new ATOM 0 HB3 SER A 51 112.814 102.359 -38.162 1.00 0.00 H new ATOM 0 HG SER A 51 114.377 103.948 -37.577 1.00 0.00 H new ATOM 800 N ASN A 52 110.432 103.036 -36.252 1.00 0.00 N ATOM 801 CA ASN A 52 109.615 104.179 -35.875 1.00 0.00 C ATOM 802 C ASN A 52 108.824 103.962 -34.566 1.00 0.00 C ATOM 803 O ASN A 52 108.643 104.869 -33.764 1.00 0.00 O ATOM 804 CB ASN A 52 108.607 104.418 -36.994 1.00 0.00 C ATOM 805 CG ASN A 52 109.305 104.719 -38.329 1.00 0.00 C ATOM 806 OD1 ASN A 52 108.789 104.016 -39.351 1.00 0.00 O flip ATOM 807 ND2 ASN A 52 110.236 105.510 -38.415 1.00 0.00 N flip ATOM 0 H ASN A 52 110.122 102.550 -37.093 1.00 0.00 H new ATOM 0 HA ASN A 52 110.286 105.023 -35.715 1.00 0.00 H new ATOM 0 HB2 ASN A 52 107.971 103.540 -37.105 1.00 0.00 H new ATOM 0 HB3 ASN A 52 107.957 105.251 -36.727 1.00 0.00 H new ATOM 0 HD21 ASN A 52 110.565 106.003 -37.585 1.00 0.00 H new ATOM 0 HD22 ASN A 52 110.682 105.676 -39.317 1.00 0.00 H new ATOM 814 N ILE A 53 108.324 102.726 -34.417 1.00 0.00 N ATOM 815 CA ILE A 53 107.662 102.385 -33.174 1.00 0.00 C ATOM 816 C ILE A 53 108.654 102.378 -31.996 1.00 0.00 C ATOM 817 O ILE A 53 108.405 102.958 -30.947 1.00 0.00 O ATOM 818 CB ILE A 53 107.034 100.999 -33.300 1.00 0.00 C ATOM 819 CG1 ILE A 53 106.123 100.867 -34.523 1.00 0.00 C ATOM 820 CG2 ILE A 53 106.255 100.645 -32.039 1.00 0.00 C ATOM 821 CD1 ILE A 53 105.846 99.402 -34.832 1.00 0.00 C ATOM 0 H ILE A 53 108.367 101.983 -35.115 1.00 0.00 H new ATOM 0 HA ILE A 53 106.897 103.136 -32.979 1.00 0.00 H new ATOM 0 HB ILE A 53 107.859 100.299 -33.432 1.00 0.00 H new ATOM 0 HG12 ILE A 53 105.184 101.389 -34.341 1.00 0.00 H new ATOM 0 HG13 ILE A 53 106.591 101.343 -35.384 1.00 0.00 H new ATOM 0 HG21 ILE A 53 105.815 99.654 -32.149 1.00 0.00 H new ATOM 0 HG22 ILE A 53 106.928 100.650 -31.182 1.00 0.00 H new ATOM 0 HG23 ILE A 53 105.463 101.378 -31.883 1.00 0.00 H new ATOM 0 HD11 ILE A 53 105.197 99.331 -35.705 1.00 0.00 H new ATOM 0 HD12 ILE A 53 106.786 98.889 -35.036 1.00 0.00 H new ATOM 0 HD13 ILE A 53 105.357 98.936 -33.977 1.00 0.00 H new ATOM 833 N GLY A 54 109.778 101.678 -32.230 1.00 0.00 N ATOM 834 CA GLY A 54 110.800 101.618 -31.201 1.00 0.00 C ATOM 835 C GLY A 54 111.337 102.998 -30.795 1.00 0.00 C ATOM 836 O GLY A 54 111.548 103.276 -29.624 1.00 0.00 O ATOM 0 H GLY A 54 109.987 101.169 -33.089 1.00 0.00 H new ATOM 0 HA2 GLY A 54 110.391 101.122 -30.321 1.00 0.00 H new ATOM 0 HA3 GLY A 54 111.628 101.004 -31.556 1.00 0.00 H new ATOM 840 N VAL A 55 111.565 103.832 -31.821 1.00 0.00 N ATOM 841 CA VAL A 55 112.146 105.136 -31.544 1.00 0.00 C ATOM 842 C VAL A 55 111.179 106.063 -30.765 1.00 0.00 C ATOM 843 O VAL A 55 111.601 106.841 -29.918 1.00 0.00 O ATOM 844 CB VAL A 55 112.611 105.767 -32.855 1.00 0.00 C ATOM 845 CG1 VAL A 55 111.427 106.281 -33.652 1.00 0.00 C ATOM 846 CG2 VAL A 55 113.636 106.871 -32.614 1.00 0.00 C ATOM 0 H VAL A 55 111.365 103.634 -32.801 1.00 0.00 H new ATOM 0 HA VAL A 55 113.007 104.999 -30.890 1.00 0.00 H new ATOM 0 HB VAL A 55 113.104 104.992 -33.441 1.00 0.00 H new ATOM 0 HG11 VAL A 55 111.780 106.727 -34.582 1.00 0.00 H new ATOM 0 HG12 VAL A 55 110.754 105.454 -33.879 1.00 0.00 H new ATOM 0 HG13 VAL A 55 110.895 107.032 -33.069 1.00 0.00 H new ATOM 0 HG21 VAL A 55 113.944 107.297 -33.569 1.00 0.00 H new ATOM 0 HG22 VAL A 55 113.192 107.651 -31.995 1.00 0.00 H new ATOM 0 HG23 VAL A 55 114.506 106.455 -32.105 1.00 0.00 H new ATOM 856 N LEU A 56 109.872 105.945 -31.090 1.00 0.00 N ATOM 857 CA LEU A 56 108.863 106.465 -30.173 1.00 0.00 C ATOM 858 C LEU A 56 109.031 105.868 -28.756 1.00 0.00 C ATOM 859 O LEU A 56 109.051 106.580 -27.762 1.00 0.00 O ATOM 860 CB LEU A 56 107.493 106.051 -30.727 1.00 0.00 C ATOM 861 CG LEU A 56 106.929 106.990 -31.799 1.00 0.00 C ATOM 862 CD1 LEU A 56 108.003 107.724 -32.600 1.00 0.00 C ATOM 863 CD2 LEU A 56 106.046 106.202 -32.760 1.00 0.00 C ATOM 0 H LEU A 56 109.514 105.514 -31.942 1.00 0.00 H new ATOM 0 HA LEU A 56 108.962 107.548 -30.095 1.00 0.00 H new ATOM 0 HB2 LEU A 56 107.573 105.048 -31.147 1.00 0.00 H new ATOM 0 HB3 LEU A 56 106.783 105.995 -29.901 1.00 0.00 H new ATOM 0 HG LEU A 56 106.354 107.748 -31.267 1.00 0.00 H new ATOM 0 HD11 LEU A 56 107.528 108.369 -33.339 1.00 0.00 H new ATOM 0 HD12 LEU A 56 108.610 108.329 -31.926 1.00 0.00 H new ATOM 0 HD13 LEU A 56 108.638 106.998 -33.107 1.00 0.00 H new ATOM 0 HD21 LEU A 56 105.647 106.873 -33.521 1.00 0.00 H new ATOM 0 HD22 LEU A 56 106.636 105.421 -33.239 1.00 0.00 H new ATOM 0 HD23 LEU A 56 105.223 105.748 -32.208 1.00 0.00 H new ATOM 875 N ILE A 57 109.186 104.532 -28.722 1.00 0.00 N ATOM 876 CA ILE A 57 109.230 103.881 -27.418 1.00 0.00 C ATOM 877 C ILE A 57 110.429 104.356 -26.567 1.00 0.00 C ATOM 878 O ILE A 57 110.305 104.596 -25.372 1.00 0.00 O ATOM 879 CB ILE A 57 109.287 102.365 -27.616 1.00 0.00 C ATOM 880 CG1 ILE A 57 108.074 101.871 -28.420 1.00 0.00 C ATOM 881 CG2 ILE A 57 109.467 101.637 -26.279 1.00 0.00 C ATOM 882 CD1 ILE A 57 107.083 101.014 -27.632 1.00 0.00 C ATOM 0 H ILE A 57 109.277 103.920 -29.533 1.00 0.00 H new ATOM 0 HA ILE A 57 108.327 104.154 -26.872 1.00 0.00 H new ATOM 0 HB ILE A 57 110.168 102.123 -28.210 1.00 0.00 H new ATOM 0 HG12 ILE A 57 107.545 102.736 -28.820 1.00 0.00 H new ATOM 0 HG13 ILE A 57 108.432 101.294 -29.273 1.00 0.00 H new ATOM 0 HG21 ILE A 57 109.504 100.562 -26.452 1.00 0.00 H new ATOM 0 HG22 ILE A 57 110.396 101.961 -25.810 1.00 0.00 H new ATOM 0 HG23 ILE A 57 108.629 101.870 -25.622 1.00 0.00 H new ATOM 0 HD11 ILE A 57 106.263 100.714 -28.284 1.00 0.00 H new ATOM 0 HD12 ILE A 57 107.590 100.126 -27.254 1.00 0.00 H new ATOM 0 HD13 ILE A 57 106.689 101.590 -26.795 1.00 0.00 H new ATOM 894 N LYS A 58 111.584 104.475 -27.251 1.00 0.00 N ATOM 895 CA LYS A 58 112.826 104.775 -26.555 1.00 0.00 C ATOM 896 C LYS A 58 112.873 106.232 -26.026 1.00 0.00 C ATOM 897 O LYS A 58 113.599 106.542 -25.088 1.00 0.00 O ATOM 898 CB LYS A 58 113.995 104.473 -27.498 1.00 0.00 C ATOM 899 CG LYS A 58 114.263 105.601 -28.490 1.00 0.00 C ATOM 900 CD LYS A 58 115.374 106.532 -28.008 1.00 0.00 C ATOM 901 CE LYS A 58 115.508 107.768 -28.897 1.00 0.00 C ATOM 902 NZ LYS A 58 116.559 107.624 -29.897 1.00 0.00 N ATOM 0 H LYS A 58 111.672 104.369 -28.262 1.00 0.00 H new ATOM 0 HA LYS A 58 112.897 104.144 -25.669 1.00 0.00 H new ATOM 0 HB2 LYS A 58 114.894 104.293 -26.908 1.00 0.00 H new ATOM 0 HB3 LYS A 58 113.785 103.555 -28.047 1.00 0.00 H new ATOM 0 HG2 LYS A 58 114.538 105.177 -29.456 1.00 0.00 H new ATOM 0 HG3 LYS A 58 113.349 106.175 -28.642 1.00 0.00 H new ATOM 0 HD2 LYS A 58 115.169 106.842 -26.984 1.00 0.00 H new ATOM 0 HD3 LYS A 58 116.320 105.991 -27.994 1.00 0.00 H new ATOM 0 HE2 LYS A 58 114.558 107.957 -29.397 1.00 0.00 H new ATOM 0 HE3 LYS A 58 115.719 108.638 -28.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 116.610 108.488 -30.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 117.471 107.471 -29.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 116.346 106.811 -30.509 1.00 0.00 H new ATOM 916 N LYS A 59 112.064 107.093 -26.678 1.00 0.00 N ATOM 917 CA LYS A 59 111.750 108.390 -26.111 1.00 0.00 C ATOM 918 C LYS A 59 110.765 108.251 -24.933 1.00 0.00 C ATOM 919 O LYS A 59 110.983 108.788 -23.854 1.00 0.00 O ATOM 920 CB LYS A 59 111.109 109.230 -27.214 1.00 0.00 C ATOM 921 CG LYS A 59 112.057 109.499 -28.383 1.00 0.00 C ATOM 922 CD LYS A 59 111.296 109.985 -29.615 1.00 0.00 C ATOM 923 CE LYS A 59 112.193 110.772 -30.571 1.00 0.00 C ATOM 924 NZ LYS A 59 113.432 110.068 -30.876 1.00 0.00 N ATOM 0 H LYS A 59 111.630 106.904 -27.582 1.00 0.00 H new ATOM 0 HA LYS A 59 112.659 108.859 -25.734 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.220 108.718 -27.584 1.00 0.00 H new ATOM 0 HB3 LYS A 59 110.778 110.180 -26.795 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.795 110.246 -28.091 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.604 108.589 -28.627 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.871 109.129 -30.139 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.462 110.613 -29.301 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.651 110.966 -31.497 1.00 0.00 H new ATOM 0 HE3 LYS A 59 112.428 111.741 -30.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 114.222 110.521 -30.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 113.352 109.077 -30.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.608 110.103 -31.900 1.00 0.00 H new ATOM 938 N GLY A 60 109.677 107.503 -25.209 1.00 0.00 N ATOM 939 CA GLY A 60 108.356 108.063 -25.068 1.00 0.00 C ATOM 940 C GLY A 60 108.130 109.071 -26.190 1.00 0.00 C ATOM 941 O GLY A 60 108.575 110.210 -26.135 1.00 0.00 O ATOM 0 H GLY A 60 109.704 106.533 -25.523 1.00 0.00 H new ATOM 0 HA2 GLY A 60 107.605 107.274 -25.111 1.00 0.00 H new ATOM 0 HA3 GLY A 60 108.253 108.548 -24.097 1.00 0.00 H new ATOM 945 N LEU A 61 107.414 108.559 -27.206 1.00 0.00 N ATOM 946 CA LEU A 61 106.013 108.273 -27.029 1.00 0.00 C ATOM 947 C LEU A 61 105.618 107.256 -28.095 1.00 0.00 C ATOM 948 O LEU A 61 105.321 107.587 -29.235 1.00 0.00 O ATOM 949 CB LEU A 61 105.250 109.569 -27.306 1.00 0.00 C ATOM 950 CG LEU A 61 105.745 110.375 -28.524 1.00 0.00 C ATOM 951 CD1 LEU A 61 104.647 111.302 -29.013 1.00 0.00 C ATOM 952 CD2 LEU A 61 106.998 111.194 -28.229 1.00 0.00 C ATOM 0 H LEU A 61 107.787 108.345 -28.131 1.00 0.00 H new ATOM 0 HA LEU A 61 105.799 107.895 -26.029 1.00 0.00 H new ATOM 0 HB2 LEU A 61 104.197 109.328 -27.454 1.00 0.00 H new ATOM 0 HB3 LEU A 61 105.310 110.203 -26.422 1.00 0.00 H new ATOM 0 HG LEU A 61 106.005 109.648 -29.293 1.00 0.00 H new ATOM 0 HD11 LEU A 61 105.005 111.868 -29.873 1.00 0.00 H new ATOM 0 HD12 LEU A 61 103.776 110.714 -29.302 1.00 0.00 H new ATOM 0 HD13 LEU A 61 104.371 111.991 -28.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 107.296 111.738 -29.125 1.00 0.00 H new ATOM 0 HD22 LEU A 61 106.789 111.902 -27.427 1.00 0.00 H new ATOM 0 HD23 LEU A 61 107.805 110.528 -27.924 1.00 0.00 H new ATOM 964 N VAL A 62 105.606 105.996 -27.645 1.00 0.00 N ATOM 965 CA VAL A 62 104.443 105.200 -27.340 1.00 0.00 C ATOM 966 C VAL A 62 104.813 104.263 -26.180 1.00 0.00 C ATOM 967 O VAL A 62 105.963 103.870 -26.028 1.00 0.00 O ATOM 968 CB VAL A 62 104.054 104.415 -28.588 1.00 0.00 C ATOM 969 CG1 VAL A 62 105.175 103.477 -29.019 1.00 0.00 C ATOM 970 CG2 VAL A 62 102.750 103.645 -28.393 1.00 0.00 C ATOM 0 H VAL A 62 106.473 105.485 -27.478 1.00 0.00 H new ATOM 0 HA VAL A 62 103.593 105.815 -27.045 1.00 0.00 H new ATOM 0 HB VAL A 62 103.890 105.141 -29.384 1.00 0.00 H new ATOM 0 HG11 VAL A 62 104.869 102.930 -29.911 1.00 0.00 H new ATOM 0 HG12 VAL A 62 106.071 104.058 -29.238 1.00 0.00 H new ATOM 0 HG13 VAL A 62 105.388 102.771 -28.216 1.00 0.00 H new ATOM 0 HG21 VAL A 62 102.509 103.100 -29.306 1.00 0.00 H new ATOM 0 HG22 VAL A 62 102.863 102.941 -27.569 1.00 0.00 H new ATOM 0 HG23 VAL A 62 101.945 104.344 -28.165 1.00 0.00 H new ATOM 980 N GLU A 63 103.787 103.927 -25.378 1.00 0.00 N ATOM 981 CA GLU A 63 103.981 102.906 -24.354 1.00 0.00 C ATOM 982 C GLU A 63 103.320 101.587 -24.791 1.00 0.00 C ATOM 983 O GLU A 63 102.137 101.522 -25.099 1.00 0.00 O ATOM 984 CB GLU A 63 103.375 103.368 -23.031 1.00 0.00 C ATOM 985 CG GLU A 63 104.346 104.241 -22.234 1.00 0.00 C ATOM 986 CD GLU A 63 103.610 104.941 -21.089 1.00 0.00 C ATOM 987 OE1 GLU A 63 102.658 104.367 -20.561 1.00 0.00 O ATOM 988 OE2 GLU A 63 103.998 106.054 -20.736 1.00 0.00 O ATOM 0 H GLU A 63 102.853 104.334 -25.420 1.00 0.00 H new ATOM 0 HA GLU A 63 105.051 102.744 -24.221 1.00 0.00 H new ATOM 0 HB2 GLU A 63 102.460 103.927 -23.226 1.00 0.00 H new ATOM 0 HB3 GLU A 63 103.096 102.498 -22.436 1.00 0.00 H new ATOM 0 HG2 GLU A 63 105.154 103.628 -21.835 1.00 0.00 H new ATOM 0 HG3 GLU A 63 104.802 104.983 -22.890 1.00 0.00 H new ATOM 995 N LYS A 64 104.159 100.538 -24.781 1.00 0.00 N ATOM 996 CA LYS A 64 103.670 99.237 -25.173 1.00 0.00 C ATOM 997 C LYS A 64 102.930 98.590 -23.998 1.00 0.00 C ATOM 998 O LYS A 64 103.495 98.313 -22.946 1.00 0.00 O ATOM 999 CB LYS A 64 104.854 98.380 -25.605 1.00 0.00 C ATOM 1000 CG LYS A 64 104.441 96.935 -25.868 1.00 0.00 C ATOM 1001 CD LYS A 64 104.818 96.003 -24.716 1.00 0.00 C ATOM 1002 CE LYS A 64 105.884 94.987 -25.127 1.00 0.00 C ATOM 1003 NZ LYS A 64 107.023 95.610 -25.791 1.00 0.00 N ATOM 0 H LYS A 64 105.143 100.575 -24.513 1.00 0.00 H new ATOM 0 HA LYS A 64 102.973 99.329 -26.006 1.00 0.00 H new ATOM 0 HB2 LYS A 64 105.298 98.801 -26.507 1.00 0.00 H new ATOM 0 HB3 LYS A 64 105.621 98.404 -24.831 1.00 0.00 H new ATOM 0 HG2 LYS A 64 103.364 96.891 -26.030 1.00 0.00 H new ATOM 0 HG3 LYS A 64 104.915 96.585 -26.785 1.00 0.00 H new ATOM 0 HD2 LYS A 64 105.185 96.594 -23.877 1.00 0.00 H new ATOM 0 HD3 LYS A 64 103.929 95.476 -24.370 1.00 0.00 H new ATOM 0 HE2 LYS A 64 106.231 94.452 -24.243 1.00 0.00 H new ATOM 0 HE3 LYS A 64 105.439 94.248 -25.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.881 95.054 -25.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 106.851 95.644 -26.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 107.150 96.577 -25.429 1.00 0.00 H new ATOM 1017 N SER A 65 101.628 98.374 -24.263 1.00 0.00 N ATOM 1018 CA SER A 65 100.766 97.742 -23.271 1.00 0.00 C ATOM 1019 C SER A 65 100.332 96.368 -23.785 1.00 0.00 C ATOM 1020 O SER A 65 99.494 96.261 -24.671 1.00 0.00 O ATOM 1021 CB SER A 65 99.496 98.594 -23.109 1.00 0.00 C ATOM 1022 OG SER A 65 98.490 98.051 -22.260 1.00 0.00 O ATOM 0 H SER A 65 101.166 98.624 -25.137 1.00 0.00 H new ATOM 0 HA SER A 65 101.303 97.649 -22.327 1.00 0.00 H new ATOM 0 HB2 SER A 65 99.784 99.571 -22.721 1.00 0.00 H new ATOM 0 HB3 SER A 65 99.063 98.758 -24.096 1.00 0.00 H new ATOM 0 HG SER A 65 97.741 97.731 -22.804 1.00 0.00 H new ATOM 1028 N GLY A 66 100.931 95.330 -23.170 1.00 0.00 N ATOM 1029 CA GLY A 66 101.624 94.343 -23.984 1.00 0.00 C ATOM 1030 C GLY A 66 100.786 93.072 -24.126 1.00 0.00 C ATOM 1031 O GLY A 66 100.915 92.123 -23.363 1.00 0.00 O ATOM 0 H GLY A 66 100.946 95.166 -22.163 1.00 0.00 H new ATOM 0 HA2 GLY A 66 101.832 94.759 -24.970 1.00 0.00 H new ATOM 0 HA3 GLY A 66 102.585 94.101 -23.531 1.00 0.00 H new ATOM 1035 N ASP A 67 99.922 93.124 -25.156 1.00 0.00 N ATOM 1036 CA ASP A 67 100.415 93.023 -26.519 1.00 0.00 C ATOM 1037 C ASP A 67 99.497 93.806 -27.466 1.00 0.00 C ATOM 1038 O ASP A 67 98.874 93.249 -28.360 1.00 0.00 O ATOM 1039 CB ASP A 67 100.469 91.554 -26.939 1.00 0.00 C ATOM 1040 CG ASP A 67 101.514 90.813 -26.101 1.00 0.00 C ATOM 1041 OD1 ASP A 67 102.688 91.170 -26.178 1.00 0.00 O ATOM 1042 OD2 ASP A 67 101.141 89.888 -25.381 1.00 0.00 O ATOM 0 H ASP A 67 98.912 93.232 -25.065 1.00 0.00 H new ATOM 0 HA ASP A 67 101.418 93.446 -26.570 1.00 0.00 H new ATOM 0 HB2 ASP A 67 99.490 91.093 -26.808 1.00 0.00 H new ATOM 0 HB3 ASP A 67 100.718 91.478 -27.998 1.00 0.00 H new ATOM 1047 N GLY A 68 99.449 95.126 -27.198 1.00 0.00 N ATOM 1048 CA GLY A 68 99.543 96.103 -28.262 1.00 0.00 C ATOM 1049 C GLY A 68 100.187 97.390 -27.747 1.00 0.00 C ATOM 1050 O GLY A 68 100.430 97.566 -26.560 1.00 0.00 O ATOM 0 H GLY A 68 99.347 95.520 -26.263 1.00 0.00 H new ATOM 0 HA2 GLY A 68 100.132 95.698 -29.085 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.550 96.318 -28.656 1.00 0.00 H new ATOM 1054 N LEU A 69 100.442 98.272 -28.733 1.00 0.00 N ATOM 1055 CA LEU A 69 101.173 99.494 -28.462 1.00 0.00 C ATOM 1056 C LEU A 69 100.166 100.636 -28.348 1.00 0.00 C ATOM 1057 O LEU A 69 99.209 100.716 -29.107 1.00 0.00 O ATOM 1058 CB LEU A 69 102.160 99.751 -29.607 1.00 0.00 C ATOM 1059 CG LEU A 69 103.117 98.575 -29.853 1.00 0.00 C ATOM 1060 CD1 LEU A 69 104.429 99.063 -30.462 1.00 0.00 C ATOM 1061 CD2 LEU A 69 103.407 97.733 -28.609 1.00 0.00 C ATOM 0 H LEU A 69 100.152 98.152 -29.704 1.00 0.00 H new ATOM 0 HA LEU A 69 101.736 99.415 -27.532 1.00 0.00 H new ATOM 0 HB2 LEU A 69 101.602 99.955 -30.521 1.00 0.00 H new ATOM 0 HB3 LEU A 69 102.742 100.645 -29.383 1.00 0.00 H new ATOM 0 HG LEU A 69 102.597 97.922 -30.554 1.00 0.00 H new ATOM 0 HD11 LEU A 69 105.091 98.213 -30.628 1.00 0.00 H new ATOM 0 HD12 LEU A 69 104.227 99.557 -31.413 1.00 0.00 H new ATOM 0 HD13 LEU A 69 104.906 99.768 -29.781 1.00 0.00 H new ATOM 0 HD21 LEU A 69 104.090 96.924 -28.868 1.00 0.00 H new ATOM 0 HD22 LEU A 69 103.862 98.361 -27.843 1.00 0.00 H new ATOM 0 HD23 LEU A 69 102.476 97.313 -28.228 1.00 0.00 H new ATOM 1073 N ILE A 70 100.429 101.509 -27.355 1.00 0.00 N ATOM 1074 CA ILE A 70 99.500 102.607 -27.171 1.00 0.00 C ATOM 1075 C ILE A 70 100.213 103.780 -26.519 1.00 0.00 C ATOM 1076 O ILE A 70 101.142 103.624 -25.740 1.00 0.00 O ATOM 1077 CB ILE A 70 98.352 102.186 -26.264 1.00 0.00 C ATOM 1078 CG1 ILE A 70 98.851 101.659 -24.924 1.00 0.00 C ATOM 1079 CG2 ILE A 70 97.490 101.131 -26.936 1.00 0.00 C ATOM 1080 CD1 ILE A 70 97.733 101.694 -23.883 1.00 0.00 C ATOM 0 H ILE A 70 101.223 101.473 -26.716 1.00 0.00 H new ATOM 0 HA ILE A 70 99.112 102.892 -28.149 1.00 0.00 H new ATOM 0 HB ILE A 70 97.752 103.077 -26.079 1.00 0.00 H new ATOM 0 HG12 ILE A 70 99.215 100.638 -25.041 1.00 0.00 H new ATOM 0 HG13 ILE A 70 99.693 102.260 -24.581 1.00 0.00 H new ATOM 0 HG21 ILE A 70 96.677 100.846 -26.268 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.076 101.534 -27.861 1.00 0.00 H new ATOM 0 HG23 ILE A 70 98.097 100.255 -27.162 1.00 0.00 H new ATOM 0 HD11 ILE A 70 98.108 101.314 -22.933 1.00 0.00 H new ATOM 0 HD12 ILE A 70 97.389 102.720 -23.753 1.00 0.00 H new ATOM 0 HD13 ILE A 70 96.903 101.073 -24.220 1.00 0.00 H new ATOM 1092 N ILE A 71 99.709 104.968 -26.874 1.00 0.00 N ATOM 1093 CA ILE A 71 100.571 106.121 -26.756 1.00 0.00 C ATOM 1094 C ILE A 71 100.365 106.790 -25.399 1.00 0.00 C ATOM 1095 O ILE A 71 99.350 106.629 -24.732 1.00 0.00 O ATOM 1096 CB ILE A 71 100.287 107.082 -27.902 1.00 0.00 C ATOM 1097 CG1 ILE A 71 98.866 107.642 -27.789 1.00 0.00 C ATOM 1098 CG2 ILE A 71 100.557 106.393 -29.244 1.00 0.00 C ATOM 1099 CD1 ILE A 71 98.501 108.603 -28.919 1.00 0.00 C ATOM 0 H ILE A 71 98.766 105.141 -27.223 1.00 0.00 H new ATOM 0 HA ILE A 71 101.615 105.813 -26.818 1.00 0.00 H new ATOM 0 HB ILE A 71 100.962 107.936 -27.843 1.00 0.00 H new ATOM 0 HG12 ILE A 71 98.157 106.814 -27.783 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.762 108.159 -26.835 1.00 0.00 H new ATOM 0 HG21 ILE A 71 100.351 107.088 -30.058 1.00 0.00 H new ATOM 0 HG22 ILE A 71 101.600 106.080 -29.289 1.00 0.00 H new ATOM 0 HG23 ILE A 71 99.912 105.520 -29.341 1.00 0.00 H new ATOM 0 HD11 ILE A 71 97.482 108.962 -28.777 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.188 109.450 -28.913 1.00 0.00 H new ATOM 0 HD13 ILE A 71 98.573 108.085 -29.875 1.00 0.00 H new ATOM 1111 N THR A 72 101.416 107.549 -25.059 1.00 0.00 N ATOM 1112 CA THR A 72 101.421 108.287 -23.814 1.00 0.00 C ATOM 1113 C THR A 72 100.556 109.541 -23.969 1.00 0.00 C ATOM 1114 O THR A 72 100.032 109.845 -25.034 1.00 0.00 O ATOM 1115 CB THR A 72 102.859 108.721 -23.503 1.00 0.00 C ATOM 1116 OG1 THR A 72 103.240 109.818 -24.306 1.00 0.00 O ATOM 1117 CG2 THR A 72 103.891 107.596 -23.651 1.00 0.00 C ATOM 0 H THR A 72 102.256 107.660 -25.627 1.00 0.00 H new ATOM 0 HA THR A 72 101.031 107.661 -23.012 1.00 0.00 H new ATOM 0 HB THR A 72 102.853 109.011 -22.452 1.00 0.00 H new ATOM 0 HG1 THR A 72 103.645 109.491 -25.136 1.00 0.00 H new ATOM 0 HG21 THR A 72 104.884 107.979 -23.415 1.00 0.00 H new ATOM 0 HG22 THR A 72 103.644 106.783 -22.968 1.00 0.00 H new ATOM 0 HG23 THR A 72 103.880 107.225 -24.676 1.00 0.00 H new ATOM 1125 N GLY A 73 100.446 110.246 -22.829 1.00 0.00 N ATOM 1126 CA GLY A 73 99.989 111.626 -22.912 1.00 0.00 C ATOM 1127 C GLY A 73 100.811 112.490 -23.894 1.00 0.00 C ATOM 1128 O GLY A 73 100.258 113.330 -24.593 1.00 0.00 O ATOM 0 H GLY A 73 100.656 109.900 -21.893 1.00 0.00 H new ATOM 0 HA2 GLY A 73 98.943 111.636 -23.219 1.00 0.00 H new ATOM 0 HA3 GLY A 73 100.034 112.075 -21.920 1.00 0.00 H new ATOM 1132 N GLU A 74 102.145 112.254 -23.920 1.00 0.00 N ATOM 1133 CA GLU A 74 102.972 113.111 -24.762 1.00 0.00 C ATOM 1134 C GLU A 74 102.509 113.087 -26.230 1.00 0.00 C ATOM 1135 O GLU A 74 102.322 114.127 -26.849 1.00 0.00 O ATOM 1136 CB GLU A 74 104.451 112.720 -24.668 1.00 0.00 C ATOM 1137 CG GLU A 74 104.970 112.771 -23.231 1.00 0.00 C ATOM 1138 CD GLU A 74 105.115 111.362 -22.644 1.00 0.00 C ATOM 1139 OE1 GLU A 74 105.986 110.623 -23.100 1.00 0.00 O ATOM 1140 OE2 GLU A 74 104.355 111.023 -21.738 1.00 0.00 O ATOM 0 H GLU A 74 102.634 111.525 -23.401 1.00 0.00 H new ATOM 0 HA GLU A 74 102.857 114.129 -24.389 1.00 0.00 H new ATOM 0 HB2 GLU A 74 104.585 111.714 -25.066 1.00 0.00 H new ATOM 0 HB3 GLU A 74 105.043 113.391 -25.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 105.934 113.279 -23.208 1.00 0.00 H new ATOM 0 HG3 GLU A 74 104.287 113.356 -22.615 1.00 0.00 H new ATOM 1147 N ALA A 75 102.308 111.853 -26.739 1.00 0.00 N ATOM 1148 CA ALA A 75 101.698 111.734 -28.057 1.00 0.00 C ATOM 1149 C ALA A 75 100.327 112.419 -28.105 1.00 0.00 C ATOM 1150 O ALA A 75 100.055 113.206 -28.997 1.00 0.00 O ATOM 1151 CB ALA A 75 101.514 110.254 -28.411 1.00 0.00 C ATOM 0 H ALA A 75 102.548 110.975 -26.278 1.00 0.00 H new ATOM 0 HA ALA A 75 102.361 112.221 -28.772 1.00 0.00 H new ATOM 0 HB1 ALA A 75 101.058 110.170 -29.397 1.00 0.00 H new ATOM 0 HB2 ALA A 75 102.485 109.758 -28.417 1.00 0.00 H new ATOM 0 HB3 ALA A 75 100.869 109.780 -27.671 1.00 0.00 H new ATOM 1157 N GLN A 76 99.500 112.113 -27.091 1.00 0.00 N ATOM 1158 CA GLN A 76 98.115 112.558 -27.161 1.00 0.00 C ATOM 1159 C GLN A 76 97.981 114.085 -27.390 1.00 0.00 C ATOM 1160 O GLN A 76 97.078 114.538 -28.083 1.00 0.00 O ATOM 1161 CB GLN A 76 97.428 112.159 -25.857 1.00 0.00 C ATOM 1162 CG GLN A 76 96.962 110.703 -25.878 1.00 0.00 C ATOM 1163 CD GLN A 76 96.094 110.418 -24.651 1.00 0.00 C ATOM 1164 OE1 GLN A 76 96.061 111.177 -23.690 1.00 0.00 O ATOM 1165 NE2 GLN A 76 95.396 109.272 -24.755 1.00 0.00 N ATOM 0 H GLN A 76 99.756 111.586 -26.256 1.00 0.00 H new ATOM 0 HA GLN A 76 97.643 112.081 -28.020 1.00 0.00 H new ATOM 0 HB2 GLN A 76 98.116 112.308 -25.025 1.00 0.00 H new ATOM 0 HB3 GLN A 76 96.572 112.811 -25.684 1.00 0.00 H new ATOM 0 HG2 GLN A 76 96.396 110.506 -26.789 1.00 0.00 H new ATOM 0 HG3 GLN A 76 97.824 110.036 -25.888 1.00 0.00 H new ATOM 0 HE21 GLN A 76 95.482 108.697 -25.593 1.00 0.00 H new ATOM 0 HE22 GLN A 76 94.781 108.979 -23.996 1.00 0.00 H new ATOM 1174 N ASP A 77 98.914 114.843 -26.780 1.00 0.00 N ATOM 1175 CA ASP A 77 98.956 116.272 -27.037 1.00 0.00 C ATOM 1176 C ASP A 77 99.363 116.568 -28.492 1.00 0.00 C ATOM 1177 O ASP A 77 98.763 117.400 -29.162 1.00 0.00 O ATOM 1178 CB ASP A 77 99.953 116.925 -26.080 1.00 0.00 C ATOM 1179 CG ASP A 77 99.625 118.410 -25.915 1.00 0.00 C ATOM 1180 OD1 ASP A 77 98.457 118.734 -25.708 1.00 0.00 O ATOM 1181 OD2 ASP A 77 100.542 119.226 -25.997 1.00 0.00 O ATOM 0 H ASP A 77 99.619 114.494 -26.131 1.00 0.00 H new ATOM 0 HA ASP A 77 97.958 116.681 -26.877 1.00 0.00 H new ATOM 0 HB2 ASP A 77 99.919 116.427 -25.111 1.00 0.00 H new ATOM 0 HB3 ASP A 77 100.967 116.809 -26.463 1.00 0.00 H new ATOM 1186 N ILE A 78 100.409 115.839 -28.937 1.00 0.00 N ATOM 1187 CA ILE A 78 100.920 116.058 -30.276 1.00 0.00 C ATOM 1188 C ILE A 78 99.862 115.731 -31.348 1.00 0.00 C ATOM 1189 O ILE A 78 99.688 116.477 -32.302 1.00 0.00 O ATOM 1190 CB ILE A 78 102.156 115.162 -30.455 1.00 0.00 C ATOM 1191 CG1 ILE A 78 103.327 115.559 -29.543 1.00 0.00 C ATOM 1192 CG2 ILE A 78 102.610 115.068 -31.917 1.00 0.00 C ATOM 1193 CD1 ILE A 78 103.280 117.000 -29.022 1.00 0.00 C ATOM 0 H ILE A 78 100.892 115.120 -28.398 1.00 0.00 H new ATOM 0 HA ILE A 78 101.181 117.109 -30.400 1.00 0.00 H new ATOM 0 HB ILE A 78 101.832 114.168 -30.145 1.00 0.00 H new ATOM 0 HG12 ILE A 78 103.351 114.880 -28.690 1.00 0.00 H new ATOM 0 HG13 ILE A 78 104.259 115.416 -30.090 1.00 0.00 H new ATOM 0 HG21 ILE A 78 103.486 114.423 -31.985 1.00 0.00 H new ATOM 0 HG22 ILE A 78 101.805 114.651 -32.522 1.00 0.00 H new ATOM 0 HG23 ILE A 78 102.862 116.063 -32.284 1.00 0.00 H new ATOM 0 HD11 ILE A 78 104.147 117.186 -28.388 1.00 0.00 H new ATOM 0 HD12 ILE A 78 103.291 117.692 -29.864 1.00 0.00 H new ATOM 0 HD13 ILE A 78 102.369 117.148 -28.443 1.00 0.00 H new ATOM 1205 N ILE A 79 99.189 114.581 -31.156 1.00 0.00 N ATOM 1206 CA ILE A 79 98.241 114.137 -32.162 1.00 0.00 C ATOM 1207 C ILE A 79 97.027 115.076 -32.248 1.00 0.00 C ATOM 1208 O ILE A 79 96.594 115.454 -33.329 1.00 0.00 O ATOM 1209 CB ILE A 79 97.733 112.743 -31.802 1.00 0.00 C ATOM 1210 CG1 ILE A 79 98.847 111.738 -31.495 1.00 0.00 C ATOM 1211 CG2 ILE A 79 96.796 112.222 -32.887 1.00 0.00 C ATOM 1212 CD1 ILE A 79 100.074 111.867 -32.397 1.00 0.00 C ATOM 0 H ILE A 79 99.286 113.972 -30.343 1.00 0.00 H new ATOM 0 HA ILE A 79 98.757 114.133 -33.122 1.00 0.00 H new ATOM 0 HB ILE A 79 97.177 112.849 -30.871 1.00 0.00 H new ATOM 0 HG12 ILE A 79 99.158 111.863 -30.458 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.446 110.729 -31.588 1.00 0.00 H new ATOM 0 HG21 ILE A 79 96.442 111.227 -32.616 1.00 0.00 H new ATOM 0 HG22 ILE A 79 95.944 112.895 -32.986 1.00 0.00 H new ATOM 0 HG23 ILE A 79 97.331 112.171 -33.836 1.00 0.00 H new ATOM 0 HD11 ILE A 79 100.815 111.119 -32.113 1.00 0.00 H new ATOM 0 HD12 ILE A 79 99.780 111.711 -33.435 1.00 0.00 H new ATOM 0 HD13 ILE A 79 100.503 112.863 -32.287 1.00 0.00 H new ATOM 1224 N SER A 80 96.498 115.417 -31.055 1.00 0.00 N ATOM 1225 CA SER A 80 95.414 116.385 -31.020 1.00 0.00 C ATOM 1226 C SER A 80 95.826 117.732 -31.641 1.00 0.00 C ATOM 1227 O SER A 80 95.103 118.303 -32.449 1.00 0.00 O ATOM 1228 CB SER A 80 94.989 116.589 -29.559 1.00 0.00 C ATOM 1229 OG SER A 80 94.865 115.400 -28.787 1.00 0.00 O ATOM 0 H SER A 80 96.794 115.050 -30.150 1.00 0.00 H new ATOM 0 HA SER A 80 94.583 115.999 -31.611 1.00 0.00 H new ATOM 0 HB2 SER A 80 95.715 117.242 -29.075 1.00 0.00 H new ATOM 0 HB3 SER A 80 94.032 117.111 -29.546 1.00 0.00 H new ATOM 0 HG SER A 80 95.664 115.286 -28.232 1.00 0.00 H new ATOM 1235 N ASN A 81 97.016 118.204 -31.223 1.00 0.00 N ATOM 1236 CA ASN A 81 97.463 119.485 -31.746 1.00 0.00 C ATOM 1237 C ASN A 81 97.679 119.430 -33.274 1.00 0.00 C ATOM 1238 O ASN A 81 97.266 120.320 -34.007 1.00 0.00 O ATOM 1239 CB ASN A 81 98.771 119.880 -31.045 1.00 0.00 C ATOM 1240 CG ASN A 81 98.476 120.773 -29.837 1.00 0.00 C ATOM 1241 OD1 ASN A 81 98.380 120.317 -28.704 1.00 0.00 O ATOM 1242 ND2 ASN A 81 98.339 122.070 -30.163 1.00 0.00 N ATOM 0 H ASN A 81 97.644 117.743 -30.565 1.00 0.00 H new ATOM 0 HA ASN A 81 96.691 120.229 -31.550 1.00 0.00 H new ATOM 0 HB2 ASN A 81 99.304 118.985 -30.723 1.00 0.00 H new ATOM 0 HB3 ASN A 81 99.422 120.405 -31.744 1.00 0.00 H new ATOM 0 HD21 ASN A 81 98.139 122.760 -29.439 1.00 0.00 H new ATOM 0 HD22 ASN A 81 98.435 122.364 -31.135 1.00 0.00 H new ATOM 1249 N ALA A 82 98.349 118.342 -33.701 1.00 0.00 N ATOM 1250 CA ALA A 82 98.688 118.211 -35.108 1.00 0.00 C ATOM 1251 C ALA A 82 97.442 118.048 -35.991 1.00 0.00 C ATOM 1252 O ALA A 82 97.303 118.705 -37.013 1.00 0.00 O ATOM 1253 CB ALA A 82 99.618 117.022 -35.303 1.00 0.00 C ATOM 0 H ALA A 82 98.652 117.572 -33.105 1.00 0.00 H new ATOM 0 HA ALA A 82 99.188 119.130 -35.414 1.00 0.00 H new ATOM 0 HB1 ALA A 82 99.870 116.927 -36.359 1.00 0.00 H new ATOM 0 HB2 ALA A 82 100.529 117.174 -34.725 1.00 0.00 H new ATOM 0 HB3 ALA A 82 99.121 116.112 -34.965 1.00 0.00 H new