USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=23 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 Set 1.1: A 36 GLN :FLIP amide:sc= -0.0254 F(o=0.11,f=0.83) USER MOD Set 1.2: A 40 CYS SG : rot 69:sc= 0.856 USER MOD Single : A 6 SER OG : rot 25:sc= 0.175 USER MOD Single : A 10 GLN :FLIP amide:sc= -1.59 F(o=-2.5,f=-1.6) USER MOD Single : A 12 HIS : no HD1:sc= -2.53 K(o=-2.5,f=-3.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -126:sc= 1.3 (180deg=-0.252) USER MOD Single : A 29 SER OG : rot -100:sc= -0.534! USER MOD Single : A 30 THR OG1 : rot -97:sc= 0.242! USER MOD Single : A 32 GLN :FLIP amide:sc= -0.461 F(o=-2.1,f=-0.46) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 89:sc= 1.32 USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.13) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -130:sc= 0.886 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.461 F(o=-2.8!,f=-0.46) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 CYS SG : rot 50:sc= 0.871 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.0352 F(o=-1.4,f=-0.035) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 93 SER OG : rot -18:sc= 1.03 USER MOD Single : A 94 LYS NZ :NH3+ -169:sc= 1.92 (180deg=1.71) USER MOD Single : A 96 LYS NZ :NH3+ -164:sc= -0.021 (180deg=-0.182) USER MOD Single : A 100 LYS NZ :NH3+ 156:sc= 0.391 (180deg=-0.639!) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= 1.26 (180deg=0.918) USER MOD Single : A 106 LYS NZ :NH3+ 173:sc= 2.05 (180deg=2.01) USER MOD ----------------------------------------------------------------- ATOM 70 N SER A 6 -221.722 75.560 59.280 1.00 0.00 N ATOM 71 CA SER A 6 -222.605 76.692 59.113 1.00 0.00 C ATOM 72 C SER A 6 -223.782 76.280 58.255 1.00 0.00 C ATOM 73 O SER A 6 -223.732 75.272 57.548 1.00 0.00 O ATOM 74 CB SER A 6 -221.882 77.886 58.479 1.00 0.00 C ATOM 75 OG SER A 6 -220.657 78.154 59.141 1.00 0.00 O ATOM 0 HA SER A 6 -222.952 77.007 60.097 1.00 0.00 H new ATOM 0 HB2 SER A 6 -221.692 77.682 57.425 1.00 0.00 H new ATOM 0 HB3 SER A 6 -222.522 78.767 58.522 1.00 0.00 H new ATOM 0 HG SER A 6 -220.331 77.335 59.569 1.00 0.00 H new ATOM 81 N PHE A 7 -224.836 77.045 58.336 1.00 0.00 N ATOM 82 CA PHE A 7 -226.033 76.781 57.591 1.00 0.00 C ATOM 83 C PHE A 7 -226.520 78.091 57.002 1.00 0.00 C ATOM 84 O PHE A 7 -226.282 79.161 57.568 1.00 0.00 O ATOM 85 CB PHE A 7 -227.074 76.134 58.513 1.00 0.00 C ATOM 86 CG PHE A 7 -227.849 77.089 59.365 1.00 0.00 C ATOM 87 CD1 PHE A 7 -227.275 77.667 60.477 1.00 0.00 C ATOM 88 CD2 PHE A 7 -229.161 77.399 59.052 1.00 0.00 C ATOM 89 CE1 PHE A 7 -227.991 78.537 61.264 1.00 0.00 C ATOM 90 CE2 PHE A 7 -229.884 78.269 59.838 1.00 0.00 C ATOM 91 CZ PHE A 7 -229.296 78.838 60.946 1.00 0.00 C ATOM 0 H PHE A 7 -224.887 77.875 58.926 1.00 0.00 H new ATOM 0 HA PHE A 7 -225.849 76.083 56.774 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -227.775 75.566 57.901 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -226.567 75.421 59.163 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -226.252 77.434 60.732 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -229.623 76.954 58.183 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -227.530 78.985 62.132 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -230.908 78.504 59.587 1.00 0.00 H new ATOM 0 HZ PHE A 7 -229.859 79.520 61.565 1.00 0.00 H new ATOM 101 N PHE A 8 -227.163 78.021 55.865 1.00 0.00 N ATOM 102 CA PHE A 8 -227.594 79.234 55.194 1.00 0.00 C ATOM 103 C PHE A 8 -228.924 79.710 55.765 1.00 0.00 C ATOM 104 O PHE A 8 -229.914 78.980 55.735 1.00 0.00 O ATOM 105 CB PHE A 8 -227.724 79.020 53.684 1.00 0.00 C ATOM 106 CG PHE A 8 -226.406 78.915 52.980 1.00 0.00 C ATOM 107 CD1 PHE A 8 -225.677 80.053 52.681 1.00 0.00 C ATOM 108 CD2 PHE A 8 -225.895 77.682 52.620 1.00 0.00 C ATOM 109 CE1 PHE A 8 -224.459 79.964 52.038 1.00 0.00 C ATOM 110 CE2 PHE A 8 -224.678 77.585 51.978 1.00 0.00 C ATOM 111 CZ PHE A 8 -223.959 78.728 51.686 1.00 0.00 C ATOM 0 H PHE A 8 -227.400 77.153 55.385 1.00 0.00 H new ATOM 0 HA PHE A 8 -226.834 79.996 55.366 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -228.298 78.111 53.502 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -228.291 79.846 53.255 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -226.066 81.023 52.954 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -226.454 76.786 52.844 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -223.899 80.859 51.811 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -224.287 76.616 51.704 1.00 0.00 H new ATOM 0 HZ PHE A 8 -223.006 78.654 51.183 1.00 0.00 H new ATOM 121 N VAL A 9 -228.950 80.925 56.282 1.00 0.00 N ATOM 122 CA VAL A 9 -230.171 81.472 56.843 1.00 0.00 C ATOM 123 C VAL A 9 -230.836 82.397 55.853 1.00 0.00 C ATOM 124 O VAL A 9 -230.203 83.300 55.302 1.00 0.00 O ATOM 125 CB VAL A 9 -229.936 82.287 58.127 1.00 0.00 C ATOM 126 CG1 VAL A 9 -231.252 82.563 58.835 1.00 0.00 C ATOM 127 CG2 VAL A 9 -228.971 81.597 59.056 1.00 0.00 C ATOM 0 H VAL A 9 -228.144 81.549 56.325 1.00 0.00 H new ATOM 0 HA VAL A 9 -230.795 80.610 57.078 1.00 0.00 H new ATOM 0 HB VAL A 9 -229.490 83.238 57.834 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -231.064 83.140 59.740 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -231.909 83.128 58.174 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -231.728 81.619 59.099 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -228.831 82.203 59.951 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -229.370 80.622 59.337 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -228.013 81.466 58.553 1.00 0.00 H new ATOM 137 N GLN A 10 -232.105 82.160 55.625 1.00 0.00 N ATOM 138 CA GLN A 10 -232.928 83.119 54.942 1.00 0.00 C ATOM 139 C GLN A 10 -233.728 83.868 56.002 1.00 0.00 C ATOM 140 O GLN A 10 -234.644 83.308 56.602 1.00 0.00 O ATOM 141 CB GLN A 10 -233.847 82.403 53.948 1.00 0.00 C ATOM 142 CG GLN A 10 -234.746 83.335 53.161 1.00 0.00 C ATOM 143 CD GLN A 10 -235.706 82.603 52.239 1.00 0.00 C ATOM 144 OE1 GLN A 10 -236.102 81.398 52.621 1.00 0.00 O flip ATOM 145 NE2 GLN A 10 -236.101 83.127 51.199 1.00 0.00 N flip ATOM 0 H GLN A 10 -232.589 81.307 55.905 1.00 0.00 H new ATOM 0 HA GLN A 10 -232.324 83.824 54.371 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -233.236 81.830 53.251 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -234.467 81.689 54.491 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -235.318 83.950 53.856 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -234.129 84.011 52.570 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -235.772 84.057 50.940 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -236.757 82.632 50.596 1.00 0.00 H new ATOM 154 N VAL A 11 -233.352 85.115 56.250 1.00 0.00 N ATOM 155 CA VAL A 11 -233.978 85.922 57.293 1.00 0.00 C ATOM 156 C VAL A 11 -234.261 87.324 56.775 1.00 0.00 C ATOM 157 O VAL A 11 -233.452 87.901 56.075 1.00 0.00 O ATOM 158 CB VAL A 11 -233.116 85.959 58.594 1.00 0.00 C ATOM 159 CG1 VAL A 11 -231.634 86.045 58.278 1.00 0.00 C ATOM 160 CG2 VAL A 11 -233.521 87.109 59.509 1.00 0.00 C ATOM 0 H VAL A 11 -232.611 85.595 55.739 1.00 0.00 H new ATOM 0 HA VAL A 11 -234.926 85.454 57.557 1.00 0.00 H new ATOM 0 HB VAL A 11 -233.305 85.023 59.119 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -231.065 86.069 59.207 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -231.336 85.176 57.692 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -231.436 86.952 57.708 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -232.897 87.100 60.403 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -233.389 88.055 58.984 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -234.567 86.996 59.795 1.00 0.00 H new ATOM 170 N HIS A 12 -235.430 87.854 57.087 1.00 0.00 N ATOM 171 CA HIS A 12 -235.858 89.132 56.522 1.00 0.00 C ATOM 172 C HIS A 12 -235.497 90.308 57.423 1.00 0.00 C ATOM 173 O HIS A 12 -234.738 90.157 58.381 1.00 0.00 O ATOM 174 CB HIS A 12 -237.374 89.126 56.281 1.00 0.00 C ATOM 175 CG HIS A 12 -237.799 88.407 55.040 1.00 0.00 C ATOM 176 ND1 HIS A 12 -238.629 88.972 54.099 1.00 0.00 N ATOM 177 CD2 HIS A 12 -237.524 87.161 54.593 1.00 0.00 C ATOM 178 CE1 HIS A 12 -238.846 88.108 53.128 1.00 0.00 C ATOM 179 NE2 HIS A 12 -238.187 86.998 53.401 1.00 0.00 N ATOM 0 H HIS A 12 -236.101 87.426 57.725 1.00 0.00 H new ATOM 0 HA HIS A 12 -235.330 89.256 55.576 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -237.864 88.666 57.139 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -237.725 90.156 56.228 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -236.899 86.429 55.083 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -239.460 88.279 52.256 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -238.172 86.158 52.823 1.00 0.00 H new ATOM 287 N LEU A 20 -234.767 90.899 51.693 1.00 0.00 N ATOM 288 CA LEU A 20 -234.372 89.619 52.246 1.00 0.00 C ATOM 289 C LEU A 20 -232.895 89.625 52.609 1.00 0.00 C ATOM 290 O LEU A 20 -232.057 90.066 51.823 1.00 0.00 O ATOM 291 CB LEU A 20 -234.657 88.504 51.235 1.00 0.00 C ATOM 292 CG LEU A 20 -234.101 87.129 51.606 1.00 0.00 C ATOM 293 CD1 LEU A 20 -234.696 86.649 52.918 1.00 0.00 C ATOM 294 CD2 LEU A 20 -234.366 86.123 50.495 1.00 0.00 C ATOM 0 HA LEU A 20 -234.950 89.439 53.152 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -235.736 88.419 51.107 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -234.244 88.797 50.270 1.00 0.00 H new ATOM 0 HG LEU A 20 -233.022 87.219 51.732 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -234.288 85.669 53.165 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -234.448 87.356 53.710 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -235.779 86.578 52.822 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -233.962 85.152 50.780 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -235.440 86.036 50.332 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -233.886 86.460 49.577 1.00 0.00 H new ATOM 306 N THR A 21 -232.586 89.138 53.795 1.00 0.00 N ATOM 307 CA THR A 21 -231.216 89.005 54.230 1.00 0.00 C ATOM 308 C THR A 21 -230.778 87.543 54.154 1.00 0.00 C ATOM 309 O THR A 21 -231.265 86.700 54.909 1.00 0.00 O ATOM 310 CB THR A 21 -231.035 89.503 55.679 1.00 0.00 C ATOM 311 OG1 THR A 21 -231.709 90.754 55.855 1.00 0.00 O ATOM 312 CG2 THR A 21 -229.562 89.666 56.022 1.00 0.00 C ATOM 0 H THR A 21 -233.276 88.826 54.478 1.00 0.00 H new ATOM 0 HA THR A 21 -230.602 89.615 53.568 1.00 0.00 H new ATOM 0 HB THR A 21 -231.466 88.758 56.348 1.00 0.00 H new ATOM 0 HG1 THR A 21 -231.591 91.062 56.778 1.00 0.00 H new ATOM 0 HG21 THR A 21 -229.464 90.018 57.049 1.00 0.00 H new ATOM 0 HG22 THR A 21 -229.056 88.706 55.918 1.00 0.00 H new ATOM 0 HG23 THR A 21 -229.109 90.391 55.345 1.00 0.00 H new ATOM 320 N VAL A 22 -229.892 87.229 53.225 1.00 0.00 N ATOM 321 CA VAL A 22 -229.322 85.896 53.178 1.00 0.00 C ATOM 322 C VAL A 22 -227.941 85.906 53.825 1.00 0.00 C ATOM 323 O VAL A 22 -227.094 86.751 53.517 1.00 0.00 O ATOM 324 CB VAL A 22 -229.255 85.324 51.737 1.00 0.00 C ATOM 325 CG1 VAL A 22 -228.237 86.058 50.880 1.00 0.00 C ATOM 326 CG2 VAL A 22 -228.955 83.834 51.770 1.00 0.00 C ATOM 0 H VAL A 22 -229.556 87.868 52.504 1.00 0.00 H new ATOM 0 HA VAL A 22 -229.982 85.234 53.739 1.00 0.00 H new ATOM 0 HB VAL A 22 -230.232 85.476 51.279 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -228.223 85.625 49.880 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -228.508 87.112 50.815 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -227.248 85.965 51.329 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -228.912 83.449 50.751 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -227.997 83.667 52.262 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -229.741 83.317 52.320 1.00 0.00 H new ATOM 336 N ILE A 23 -227.739 84.994 54.759 1.00 0.00 N ATOM 337 CA ILE A 23 -226.483 84.908 55.485 1.00 0.00 C ATOM 338 C ILE A 23 -226.052 83.464 55.640 1.00 0.00 C ATOM 339 O ILE A 23 -226.865 82.549 55.518 1.00 0.00 O ATOM 340 CB ILE A 23 -226.583 85.541 56.891 1.00 0.00 C ATOM 341 CG1 ILE A 23 -227.871 85.102 57.590 1.00 0.00 C ATOM 342 CG2 ILE A 23 -226.501 87.056 56.806 1.00 0.00 C ATOM 343 CD1 ILE A 23 -228.003 85.627 59.004 1.00 0.00 C ATOM 0 H ILE A 23 -228.432 84.298 55.034 1.00 0.00 H new ATOM 0 HA ILE A 23 -225.748 85.461 54.900 1.00 0.00 H new ATOM 0 HB ILE A 23 -225.739 85.190 57.485 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -228.726 85.441 57.004 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -227.910 84.013 57.611 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -226.573 87.481 57.807 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -225.550 87.344 56.357 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -227.320 87.431 56.193 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -228.940 85.276 59.437 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -227.168 85.267 59.605 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -227.996 86.717 58.990 1.00 0.00 H new ATOM 355 N LYS A 24 -224.779 83.259 55.900 1.00 0.00 N ATOM 356 CA LYS A 24 -224.287 81.939 56.215 1.00 0.00 C ATOM 357 C LYS A 24 -223.796 81.944 57.656 1.00 0.00 C ATOM 358 O LYS A 24 -222.680 82.372 57.952 1.00 0.00 O ATOM 359 CB LYS A 24 -223.171 81.527 55.262 1.00 0.00 C ATOM 360 CG LYS A 24 -222.983 80.022 55.160 1.00 0.00 C ATOM 361 CD LYS A 24 -221.533 79.689 54.825 1.00 0.00 C ATOM 362 CE LYS A 24 -221.266 78.191 54.753 1.00 0.00 C ATOM 363 NZ LYS A 24 -221.955 77.539 53.617 1.00 0.00 N ATOM 0 H LYS A 24 -224.068 83.990 55.899 1.00 0.00 H new ATOM 0 HA LYS A 24 -225.090 81.211 56.099 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -223.385 81.926 54.271 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -222.236 81.980 55.593 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -223.263 79.549 56.101 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -223.642 79.618 54.392 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -221.273 80.145 53.870 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -220.881 80.133 55.578 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -220.193 78.022 54.666 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -221.588 77.724 55.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -222.526 76.743 53.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -222.575 78.228 53.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -221.249 77.187 52.939 1.00 0.00 H new ATOM 377 N ALA A 25 -224.650 81.477 58.540 1.00 0.00 N ATOM 378 CA ALA A 25 -224.436 81.590 59.967 1.00 0.00 C ATOM 379 C ALA A 25 -224.153 80.224 60.531 1.00 0.00 C ATOM 380 O ALA A 25 -224.318 79.233 59.841 1.00 0.00 O ATOM 381 CB ALA A 25 -225.666 82.223 60.611 1.00 0.00 C ATOM 0 H ALA A 25 -225.518 81.005 58.288 1.00 0.00 H new ATOM 0 HA ALA A 25 -223.579 82.229 60.179 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -225.510 82.310 61.686 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -225.830 83.214 60.187 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -226.539 81.598 60.421 1.00 0.00 H new ATOM 387 N PRO A 26 -223.719 80.139 61.778 1.00 0.00 N ATOM 388 CA PRO A 26 -223.350 78.872 62.363 1.00 0.00 C ATOM 389 C PRO A 26 -224.577 78.032 62.630 1.00 0.00 C ATOM 390 O PRO A 26 -225.601 78.555 63.031 1.00 0.00 O ATOM 391 CB PRO A 26 -222.617 79.250 63.654 1.00 0.00 C ATOM 392 CG PRO A 26 -222.624 80.744 63.735 1.00 0.00 C ATOM 393 CD PRO A 26 -223.616 81.242 62.731 1.00 0.00 C ATOM 0 HA PRO A 26 -222.722 78.267 61.709 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -223.112 78.814 64.521 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -221.596 78.868 63.645 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -222.895 81.073 64.738 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -221.632 81.144 63.526 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -224.578 81.464 63.193 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -223.274 82.158 62.249 1.00 0.00 H new ATOM 401 N ARG A 27 -224.490 76.739 62.379 1.00 0.00 N ATOM 402 CA ARG A 27 -225.617 75.851 62.621 1.00 0.00 C ATOM 403 C ARG A 27 -226.001 75.973 64.097 1.00 0.00 C ATOM 404 O ARG A 27 -227.163 75.967 64.477 1.00 0.00 O ATOM 405 CB ARG A 27 -225.225 74.415 62.283 1.00 0.00 C ATOM 406 CG ARG A 27 -224.785 74.257 60.840 1.00 0.00 C ATOM 407 CD ARG A 27 -224.344 72.838 60.532 1.00 0.00 C ATOM 408 NE ARG A 27 -224.054 72.654 59.111 1.00 0.00 N ATOM 409 CZ ARG A 27 -223.575 71.528 58.585 1.00 0.00 C ATOM 410 NH1 ARG A 27 -223.251 70.508 59.370 1.00 0.00 N ATOM 411 NH2 ARG A 27 -223.412 71.423 57.273 1.00 0.00 N ATOM 0 H ARG A 27 -223.657 76.280 62.010 1.00 0.00 H new ATOM 0 HA ARG A 27 -226.466 76.124 61.994 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -224.417 74.098 62.943 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -226.071 73.756 62.476 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -225.606 74.533 60.178 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -223.965 74.944 60.634 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -223.457 72.598 61.118 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -225.125 72.141 60.837 1.00 0.00 H new ATOM 0 HE ARG A 27 -224.230 73.438 58.482 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -223.369 70.585 60.380 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -222.885 69.648 58.963 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -223.654 72.205 56.665 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -223.045 70.560 56.872 1.00 0.00 H new ATOM 425 N VAL A 28 -224.970 76.131 64.908 1.00 0.00 N ATOM 426 CA VAL A 28 -225.095 76.361 66.340 1.00 0.00 C ATOM 427 C VAL A 28 -225.716 77.738 66.669 1.00 0.00 C ATOM 428 O VAL A 28 -226.124 77.980 67.808 1.00 0.00 O ATOM 429 CB VAL A 28 -223.703 76.224 67.013 1.00 0.00 C ATOM 430 CG1 VAL A 28 -222.702 77.193 66.404 1.00 0.00 C ATOM 431 CG2 VAL A 28 -223.785 76.428 68.515 1.00 0.00 C ATOM 0 H VAL A 28 -224.003 76.103 64.585 1.00 0.00 H new ATOM 0 HA VAL A 28 -225.775 75.606 66.735 1.00 0.00 H new ATOM 0 HB VAL A 28 -223.357 75.207 66.829 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -221.736 77.075 66.895 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -222.596 76.985 65.339 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -223.056 78.215 66.541 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -222.791 76.325 68.951 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -224.172 77.425 68.726 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -224.451 75.681 68.948 1.00 0.00 H new ATOM 441 N SER A 29 -225.794 78.644 65.686 1.00 0.00 N ATOM 442 CA SER A 29 -226.397 79.962 65.922 1.00 0.00 C ATOM 443 C SER A 29 -227.831 79.820 66.397 1.00 0.00 C ATOM 444 O SER A 29 -228.654 79.148 65.776 1.00 0.00 O ATOM 445 CB SER A 29 -226.351 80.859 64.676 1.00 0.00 C ATOM 446 OG SER A 29 -227.223 80.406 63.658 1.00 0.00 O ATOM 0 H SER A 29 -225.454 78.493 64.736 1.00 0.00 H new ATOM 0 HA SER A 29 -225.802 80.442 66.699 1.00 0.00 H new ATOM 0 HB2 SER A 29 -226.619 81.878 64.954 1.00 0.00 H new ATOM 0 HB3 SER A 29 -225.332 80.891 64.291 1.00 0.00 H new ATOM 0 HG SER A 29 -226.711 79.908 62.987 1.00 0.00 H new ATOM 452 N THR A 30 -228.108 80.417 67.534 1.00 0.00 N ATOM 453 CA THR A 30 -229.462 80.526 68.006 1.00 0.00 C ATOM 454 C THR A 30 -229.975 81.914 67.706 1.00 0.00 C ATOM 455 O THR A 30 -229.248 82.716 67.115 1.00 0.00 O ATOM 456 CB THR A 30 -229.576 80.173 69.500 1.00 0.00 C ATOM 457 OG1 THR A 30 -230.878 80.496 70.008 1.00 0.00 O ATOM 458 CG2 THR A 30 -228.520 80.879 70.331 1.00 0.00 C ATOM 0 H THR A 30 -227.409 80.834 68.148 1.00 0.00 H new ATOM 0 HA THR A 30 -230.085 79.801 67.482 1.00 0.00 H new ATOM 0 HB THR A 30 -229.415 79.098 69.581 1.00 0.00 H new ATOM 0 HG1 THR A 30 -230.850 81.372 70.446 1.00 0.00 H new ATOM 0 HG21 THR A 30 -228.636 80.602 71.379 1.00 0.00 H new ATOM 0 HG22 THR A 30 -227.529 80.585 69.986 1.00 0.00 H new ATOM 0 HG23 THR A 30 -228.635 81.958 70.226 1.00 0.00 H new ATOM 466 N ALA A 31 -231.221 82.188 68.070 1.00 0.00 N ATOM 467 CA ALA A 31 -231.854 83.447 67.734 1.00 0.00 C ATOM 468 C ALA A 31 -230.942 84.606 68.054 1.00 0.00 C ATOM 469 O ALA A 31 -230.675 85.408 67.190 1.00 0.00 O ATOM 470 CB ALA A 31 -233.186 83.587 68.452 1.00 0.00 C ATOM 0 H ALA A 31 -231.812 81.548 68.601 1.00 0.00 H new ATOM 0 HA ALA A 31 -232.047 83.457 66.661 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -233.645 84.539 68.186 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -233.846 82.771 68.157 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -233.024 83.551 69.529 1.00 0.00 H new ATOM 476 N GLN A 32 -230.404 84.641 69.261 1.00 0.00 N ATOM 477 CA GLN A 32 -229.529 85.736 69.658 1.00 0.00 C ATOM 478 C GLN A 32 -228.288 85.853 68.758 1.00 0.00 C ATOM 479 O GLN A 32 -227.793 86.953 68.523 1.00 0.00 O ATOM 480 CB GLN A 32 -229.097 85.579 71.114 1.00 0.00 C ATOM 481 CG GLN A 32 -229.690 86.625 72.047 1.00 0.00 C ATOM 482 CD GLN A 32 -229.428 88.050 71.586 1.00 0.00 C ATOM 483 OE1 GLN A 32 -228.365 88.245 70.821 1.00 0.00 O flip ATOM 484 NE2 GLN A 32 -230.194 88.962 71.888 1.00 0.00 N flip ATOM 0 H GLN A 32 -230.554 83.932 69.979 1.00 0.00 H new ATOM 0 HA GLN A 32 -230.106 86.654 69.545 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -229.386 84.588 71.464 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -228.010 85.632 71.168 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -230.766 86.466 72.125 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -229.275 86.490 73.046 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -231.003 88.774 72.480 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -230.021 89.908 71.547 1.00 0.00 H new ATOM 493 N ASP A 33 -227.792 84.739 68.236 1.00 0.00 N ATOM 494 CA ASP A 33 -226.570 84.779 67.434 1.00 0.00 C ATOM 495 C ASP A 33 -226.864 85.403 66.093 1.00 0.00 C ATOM 496 O ASP A 33 -226.227 86.361 65.664 1.00 0.00 O ATOM 497 CB ASP A 33 -226.022 83.373 67.185 1.00 0.00 C ATOM 498 CG ASP A 33 -225.386 82.742 68.399 1.00 0.00 C ATOM 499 OD1 ASP A 33 -224.374 83.277 68.889 1.00 0.00 O ATOM 500 OD2 ASP A 33 -225.878 81.685 68.847 1.00 0.00 O ATOM 0 H ASP A 33 -228.204 83.813 68.348 1.00 0.00 H new ATOM 0 HA ASP A 33 -225.833 85.363 67.986 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -226.834 82.733 66.838 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -225.286 83.417 66.383 1.00 0.00 H new ATOM 505 N VAL A 34 -227.860 84.838 65.453 1.00 0.00 N ATOM 506 CA VAL A 34 -228.329 85.290 64.165 1.00 0.00 C ATOM 507 C VAL A 34 -228.924 86.697 64.286 1.00 0.00 C ATOM 508 O VAL A 34 -228.907 87.476 63.335 1.00 0.00 O ATOM 509 CB VAL A 34 -229.326 84.263 63.618 1.00 0.00 C ATOM 510 CG1 VAL A 34 -230.702 84.447 64.202 1.00 0.00 C ATOM 511 CG2 VAL A 34 -229.318 84.273 62.111 1.00 0.00 C ATOM 0 H VAL A 34 -228.376 84.038 65.819 1.00 0.00 H new ATOM 0 HA VAL A 34 -227.505 85.365 63.456 1.00 0.00 H new ATOM 0 HB VAL A 34 -229.006 83.270 63.935 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -231.377 83.698 63.787 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -230.656 84.333 65.285 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -231.071 85.443 63.957 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -230.031 83.538 61.738 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -229.597 85.264 61.752 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -228.320 84.025 61.751 1.00 0.00 H new ATOM 521 N ILE A 35 -229.433 87.008 65.478 1.00 0.00 N ATOM 522 CA ILE A 35 -229.813 88.369 65.838 1.00 0.00 C ATOM 523 C ILE A 35 -228.609 89.291 65.672 1.00 0.00 C ATOM 524 O ILE A 35 -228.657 90.266 64.922 1.00 0.00 O ATOM 525 CB ILE A 35 -230.309 88.447 67.305 1.00 0.00 C ATOM 526 CG1 ILE A 35 -231.742 87.940 67.425 1.00 0.00 C ATOM 527 CG2 ILE A 35 -230.207 89.864 67.858 1.00 0.00 C ATOM 528 CD1 ILE A 35 -232.757 88.794 66.730 1.00 0.00 C ATOM 0 H ILE A 35 -229.592 86.324 66.218 1.00 0.00 H new ATOM 0 HA ILE A 35 -230.625 88.679 65.181 1.00 0.00 H new ATOM 0 HB ILE A 35 -229.659 87.804 67.898 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -231.793 86.930 67.017 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -232.004 87.871 68.481 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -230.564 89.879 68.888 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -229.168 90.192 67.829 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -230.817 90.535 67.253 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -233.749 88.363 66.865 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -232.738 89.799 67.152 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -232.524 88.843 65.666 1.00 0.00 H new ATOM 540 N GLN A 36 -227.521 88.939 66.354 1.00 0.00 N ATOM 541 CA GLN A 36 -226.295 89.727 66.335 1.00 0.00 C ATOM 542 C GLN A 36 -225.745 89.845 64.918 1.00 0.00 C ATOM 543 O GLN A 36 -225.367 90.933 64.486 1.00 0.00 O ATOM 544 CB GLN A 36 -225.247 89.096 67.259 1.00 0.00 C ATOM 545 CG GLN A 36 -223.927 89.855 67.313 1.00 0.00 C ATOM 546 CD GLN A 36 -224.079 91.267 67.847 1.00 0.00 C ATOM 547 OE1 GLN A 36 -224.297 92.216 66.950 1.00 0.00 O flip ATOM 548 NE2 GLN A 36 -223.991 91.505 69.052 1.00 0.00 N flip ATOM 0 H GLN A 36 -227.466 88.101 66.933 1.00 0.00 H new ATOM 0 HA GLN A 36 -226.528 90.729 66.694 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -225.658 89.032 68.266 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -225.054 88.076 66.928 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -223.225 89.308 67.942 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -223.495 89.895 66.313 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -223.822 90.745 69.711 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -224.087 92.462 69.391 1.00 0.00 H new ATOM 557 N GLN A 37 -225.711 88.730 64.200 1.00 0.00 N ATOM 558 CA GLN A 37 -225.217 88.723 62.828 1.00 0.00 C ATOM 559 C GLN A 37 -226.021 89.662 61.936 1.00 0.00 C ATOM 560 O GLN A 37 -225.457 90.352 61.082 1.00 0.00 O ATOM 561 CB GLN A 37 -225.217 87.307 62.253 1.00 0.00 C ATOM 562 CG GLN A 37 -223.875 86.609 62.393 1.00 0.00 C ATOM 563 CD GLN A 37 -223.479 86.345 63.836 1.00 0.00 C ATOM 564 OE1 GLN A 37 -222.858 87.185 64.484 1.00 0.00 O ATOM 565 NE2 GLN A 37 -223.825 85.169 64.341 1.00 0.00 N ATOM 0 H GLN A 37 -226.019 87.820 64.543 1.00 0.00 H new ATOM 0 HA GLN A 37 -224.189 89.086 62.852 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -225.982 86.716 62.757 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -225.490 87.349 61.199 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -223.909 85.662 61.854 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -223.106 87.218 61.919 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -224.340 84.500 63.769 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -223.576 84.933 65.302 1.00 0.00 H new ATOM 574 N THR A 38 -227.331 89.698 62.139 1.00 0.00 N ATOM 575 CA THR A 38 -228.187 90.610 61.397 1.00 0.00 C ATOM 576 C THR A 38 -227.917 92.054 61.821 1.00 0.00 C ATOM 577 O THR A 38 -227.843 92.952 60.983 1.00 0.00 O ATOM 578 CB THR A 38 -229.676 90.273 61.598 1.00 0.00 C ATOM 579 OG1 THR A 38 -229.905 88.887 61.305 1.00 0.00 O ATOM 580 CG2 THR A 38 -230.560 91.126 60.697 1.00 0.00 C ATOM 0 H THR A 38 -227.822 89.107 62.810 1.00 0.00 H new ATOM 0 HA THR A 38 -227.954 90.496 60.338 1.00 0.00 H new ATOM 0 HB THR A 38 -229.931 90.483 62.637 1.00 0.00 H new ATOM 0 HG1 THR A 38 -229.773 88.355 62.117 1.00 0.00 H new ATOM 0 HG21 THR A 38 -231.606 90.866 60.861 1.00 0.00 H new ATOM 0 HG22 THR A 38 -230.408 92.180 60.930 1.00 0.00 H new ATOM 0 HG23 THR A 38 -230.300 90.944 59.654 1.00 0.00 H new ATOM 588 N LEU A 39 -227.738 92.266 63.126 1.00 0.00 N ATOM 589 CA LEU A 39 -227.383 93.582 63.650 1.00 0.00 C ATOM 590 C LEU A 39 -226.099 94.083 62.997 1.00 0.00 C ATOM 591 O LEU A 39 -225.964 95.261 62.695 1.00 0.00 O ATOM 592 CB LEU A 39 -227.177 93.531 65.168 1.00 0.00 C ATOM 593 CG LEU A 39 -228.361 93.034 65.996 1.00 0.00 C ATOM 594 CD1 LEU A 39 -227.894 92.670 67.388 1.00 0.00 C ATOM 595 CD2 LEU A 39 -229.453 94.086 66.087 1.00 0.00 C ATOM 0 H LEU A 39 -227.834 91.542 63.838 1.00 0.00 H new ATOM 0 HA LEU A 39 -228.205 94.261 63.422 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -226.321 92.889 65.376 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -226.916 94.532 65.512 1.00 0.00 H new ATOM 0 HG LEU A 39 -228.773 92.155 65.500 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -228.741 92.316 67.975 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -227.142 91.883 67.325 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -227.462 93.548 67.868 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -230.281 93.701 66.683 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -229.054 94.984 66.558 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -229.809 94.329 65.086 1.00 0.00 H new ATOM 607 N CYS A 40 -225.159 93.169 62.787 1.00 0.00 N ATOM 608 CA CYS A 40 -223.876 93.502 62.183 1.00 0.00 C ATOM 609 C CYS A 40 -224.032 93.947 60.729 1.00 0.00 C ATOM 610 O CYS A 40 -223.574 95.023 60.348 1.00 0.00 O ATOM 611 CB CYS A 40 -222.933 92.298 62.272 1.00 0.00 C ATOM 612 SG CYS A 40 -222.487 91.846 63.964 1.00 0.00 S ATOM 0 H CYS A 40 -225.264 92.184 63.029 1.00 0.00 H new ATOM 0 HA CYS A 40 -223.451 94.339 62.737 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -223.405 91.442 61.789 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -222.024 92.518 61.713 1.00 0.00 H new ATOM 0 HG CYS A 40 -223.532 91.375 64.577 1.00 0.00 H new ATOM 618 N LYS A 41 -224.700 93.128 59.931 1.00 0.00 N ATOM 619 CA LYS A 41 -224.810 93.370 58.497 1.00 0.00 C ATOM 620 C LYS A 41 -225.886 94.403 58.163 1.00 0.00 C ATOM 621 O LYS A 41 -225.998 94.844 57.020 1.00 0.00 O ATOM 622 CB LYS A 41 -225.083 92.053 57.769 1.00 0.00 C ATOM 623 CG LYS A 41 -223.849 91.174 57.642 1.00 0.00 C ATOM 624 CD LYS A 41 -224.199 89.764 57.191 1.00 0.00 C ATOM 625 CE LYS A 41 -222.965 88.989 56.743 1.00 0.00 C ATOM 626 NZ LYS A 41 -221.846 89.086 57.720 1.00 0.00 N ATOM 0 H LYS A 41 -225.177 92.286 60.252 1.00 0.00 H new ATOM 0 HA LYS A 41 -223.860 93.783 58.157 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -225.859 91.504 58.302 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -225.472 92.269 56.774 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -223.157 91.622 56.929 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -223.334 91.131 58.602 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -224.686 89.231 58.008 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -224.915 89.812 56.371 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -223.230 87.941 56.601 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -222.633 89.368 55.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -221.120 88.378 57.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -221.428 90.037 57.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -222.207 88.911 58.680 1.00 0.00 H new ATOM 640 N ALA A 42 -226.680 94.785 59.152 1.00 0.00 N ATOM 641 CA ALA A 42 -227.736 95.770 58.938 1.00 0.00 C ATOM 642 C ALA A 42 -227.697 96.859 60.008 1.00 0.00 C ATOM 643 O ALA A 42 -228.715 97.485 60.297 1.00 0.00 O ATOM 644 CB ALA A 42 -229.092 95.079 58.924 1.00 0.00 C ATOM 0 H ALA A 42 -226.616 94.432 60.107 1.00 0.00 H new ATOM 0 HA ALA A 42 -227.572 96.249 57.973 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -229.876 95.819 58.764 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -229.117 94.344 58.120 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -229.255 94.578 59.878 1.00 0.00 H new ATOM 852 N ASP A 56 -233.022 93.796 72.958 1.00 0.00 N ATOM 853 CA ASP A 56 -234.427 94.094 72.694 1.00 0.00 C ATOM 854 C ASP A 56 -234.905 93.352 71.463 1.00 0.00 C ATOM 855 O ASP A 56 -235.939 93.688 70.901 1.00 0.00 O ATOM 856 CB ASP A 56 -234.663 95.593 72.462 1.00 0.00 C ATOM 857 CG ASP A 56 -234.246 96.470 73.627 1.00 0.00 C ATOM 858 OD1 ASP A 56 -235.036 96.612 74.582 1.00 0.00 O ATOM 859 OD2 ASP A 56 -233.144 97.051 73.573 1.00 0.00 O ATOM 0 HA ASP A 56 -234.982 93.776 73.576 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -234.115 95.903 71.572 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -235.721 95.757 72.258 1.00 0.00 H new ATOM 864 N TYR A 57 -234.197 92.309 71.073 1.00 0.00 N ATOM 865 CA TYR A 57 -234.541 91.600 69.853 1.00 0.00 C ATOM 866 C TYR A 57 -234.798 90.118 70.112 1.00 0.00 C ATOM 867 O TYR A 57 -234.177 89.501 70.978 1.00 0.00 O ATOM 868 CB TYR A 57 -233.426 91.730 68.809 1.00 0.00 C ATOM 869 CG TYR A 57 -233.315 93.085 68.152 1.00 0.00 C ATOM 870 CD1 TYR A 57 -232.744 94.161 68.812 1.00 0.00 C ATOM 871 CD2 TYR A 57 -233.775 93.278 66.857 1.00 0.00 C ATOM 872 CE1 TYR A 57 -232.636 95.392 68.201 1.00 0.00 C ATOM 873 CE2 TYR A 57 -233.666 94.506 66.237 1.00 0.00 C ATOM 874 CZ TYR A 57 -233.097 95.560 66.915 1.00 0.00 C ATOM 875 OH TYR A 57 -232.981 96.786 66.305 1.00 0.00 O ATOM 0 H TYR A 57 -233.391 91.937 71.575 1.00 0.00 H new ATOM 0 HA TYR A 57 -235.455 92.057 69.475 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -232.474 91.496 69.286 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -233.587 90.980 68.034 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -232.378 94.033 69.820 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -234.226 92.453 66.325 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -232.191 96.222 68.730 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -234.025 94.639 65.227 1.00 0.00 H new ATOM 0 HH TYR A 57 -233.353 96.737 65.400 1.00 0.00 H new ATOM 885 N VAL A 58 -235.753 89.583 69.380 1.00 0.00 N ATOM 886 CA VAL A 58 -235.960 88.143 69.262 1.00 0.00 C ATOM 887 C VAL A 58 -236.010 87.758 67.790 1.00 0.00 C ATOM 888 O VAL A 58 -236.148 88.621 66.921 1.00 0.00 O ATOM 889 CB VAL A 58 -237.267 87.660 69.927 1.00 0.00 C ATOM 890 CG1 VAL A 58 -237.117 87.567 71.435 1.00 0.00 C ATOM 891 CG2 VAL A 58 -238.418 88.589 69.585 1.00 0.00 C ATOM 0 H VAL A 58 -236.419 90.137 68.841 1.00 0.00 H new ATOM 0 HA VAL A 58 -235.126 87.667 69.777 1.00 0.00 H new ATOM 0 HB VAL A 58 -237.483 86.665 69.538 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -238.054 87.224 71.873 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -236.323 86.861 71.679 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -236.866 88.549 71.837 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -239.329 88.231 70.064 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -238.192 89.594 69.941 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -238.560 88.610 68.504 1.00 0.00 H new ATOM 901 N LEU A 59 -235.906 86.475 67.508 1.00 0.00 N ATOM 902 CA LEU A 59 -235.991 85.998 66.140 1.00 0.00 C ATOM 903 C LEU A 59 -237.261 85.177 65.957 1.00 0.00 C ATOM 904 O LEU A 59 -237.782 84.602 66.907 1.00 0.00 O ATOM 905 CB LEU A 59 -234.759 85.166 65.779 1.00 0.00 C ATOM 906 CG LEU A 59 -234.672 84.730 64.315 1.00 0.00 C ATOM 907 CD1 LEU A 59 -234.100 85.845 63.455 1.00 0.00 C ATOM 908 CD2 LEU A 59 -233.848 83.464 64.183 1.00 0.00 C ATOM 0 H LEU A 59 -235.763 85.744 68.205 1.00 0.00 H new ATOM 0 HA LEU A 59 -236.025 86.858 65.471 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -233.867 85.743 66.023 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -234.745 84.276 66.408 1.00 0.00 H new ATOM 0 HG LEU A 59 -235.680 84.515 63.960 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -234.047 85.514 62.418 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -234.742 86.723 63.523 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -233.100 86.099 63.806 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -233.798 83.170 63.135 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -232.841 83.645 64.558 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -234.312 82.666 64.762 1.00 0.00 H new ATOM 920 N LEU A 60 -237.774 85.161 64.741 1.00 0.00 N ATOM 921 CA LEU A 60 -238.997 84.436 64.420 1.00 0.00 C ATOM 922 C LEU A 60 -238.657 83.225 63.564 1.00 0.00 C ATOM 923 O LEU A 60 -237.802 83.315 62.686 1.00 0.00 O ATOM 924 CB LEU A 60 -239.973 85.333 63.633 1.00 0.00 C ATOM 925 CG LEU A 60 -240.634 86.522 64.373 1.00 0.00 C ATOM 926 CD1 LEU A 60 -241.819 86.072 65.192 1.00 0.00 C ATOM 927 CD2 LEU A 60 -239.660 87.286 65.255 1.00 0.00 C ATOM 0 H LEU A 60 -237.358 85.648 63.947 1.00 0.00 H new ATOM 0 HA LEU A 60 -239.467 84.126 65.353 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -239.437 85.733 62.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -240.770 84.698 63.245 1.00 0.00 H new ATOM 0 HG LEU A 60 -240.975 87.203 63.593 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -242.259 86.931 65.698 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -242.562 85.617 64.537 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -241.493 85.342 65.933 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -240.182 88.107 65.747 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -239.248 86.615 66.008 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -238.851 87.685 64.643 1.00 0.00 H new ATOM 939 N GLU A 61 -239.313 82.103 63.813 1.00 0.00 N ATOM 940 CA GLU A 61 -239.204 80.963 62.921 1.00 0.00 C ATOM 941 C GLU A 61 -240.492 80.840 62.107 1.00 0.00 C ATOM 942 O GLU A 61 -241.457 80.188 62.504 1.00 0.00 O ATOM 943 CB GLU A 61 -238.881 79.648 63.679 1.00 0.00 C ATOM 944 CG GLU A 61 -240.022 79.092 64.530 1.00 0.00 C ATOM 945 CD GLU A 61 -239.766 77.693 65.068 1.00 0.00 C ATOM 946 OE1 GLU A 61 -240.108 76.722 64.368 1.00 0.00 O ATOM 947 OE2 GLU A 61 -239.268 77.558 66.209 1.00 0.00 O ATOM 0 H GLU A 61 -239.921 81.959 64.619 1.00 0.00 H new ATOM 0 HA GLU A 61 -238.365 81.132 62.246 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -238.589 78.890 62.952 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -238.019 79.821 64.323 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -240.198 79.766 65.368 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -240.934 79.080 63.933 1.00 0.00 H new ATOM 954 N GLU A 62 -240.551 81.532 60.993 1.00 0.00 N ATOM 955 CA GLU A 62 -241.652 81.368 60.111 1.00 0.00 C ATOM 956 C GLU A 62 -241.375 80.217 59.172 1.00 0.00 C ATOM 957 O GLU A 62 -240.367 80.200 58.481 1.00 0.00 O ATOM 958 CB GLU A 62 -241.839 82.638 59.316 1.00 0.00 C ATOM 959 CG GLU A 62 -243.155 82.697 58.609 1.00 0.00 C ATOM 960 CD GLU A 62 -243.060 83.350 57.243 1.00 0.00 C ATOM 961 OE1 GLU A 62 -242.895 84.582 57.164 1.00 0.00 O ATOM 962 OE2 GLU A 62 -243.125 82.622 56.226 1.00 0.00 O ATOM 0 H GLU A 62 -239.848 82.206 60.689 1.00 0.00 H new ATOM 0 HA GLU A 62 -242.556 81.157 60.682 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -241.754 83.494 59.985 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -241.036 82.724 58.584 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -243.548 81.686 58.497 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -243.867 83.249 59.222 1.00 0.00 H new ATOM 969 N VAL A 63 -242.264 79.257 59.162 1.00 0.00 N ATOM 970 CA VAL A 63 -242.179 78.167 58.217 1.00 0.00 C ATOM 971 C VAL A 63 -243.330 78.265 57.228 1.00 0.00 C ATOM 972 O VAL A 63 -244.501 78.226 57.618 1.00 0.00 O ATOM 973 CB VAL A 63 -242.168 76.787 58.923 1.00 0.00 C ATOM 974 CG1 VAL A 63 -243.010 76.825 60.188 1.00 0.00 C ATOM 975 CG2 VAL A 63 -242.642 75.697 57.977 1.00 0.00 C ATOM 0 H VAL A 63 -243.059 79.206 59.799 1.00 0.00 H new ATOM 0 HA VAL A 63 -241.234 78.251 57.680 1.00 0.00 H new ATOM 0 HB VAL A 63 -241.143 76.555 59.212 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -242.989 75.847 60.668 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -242.607 77.573 60.871 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -244.038 77.082 59.933 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -242.627 74.736 58.492 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -243.658 75.917 57.649 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -241.982 75.655 57.111 1.00 0.00 H new ATOM 985 N VAL A 64 -242.994 78.446 55.955 1.00 0.00 N ATOM 986 CA VAL A 64 -244.001 78.479 54.908 1.00 0.00 C ATOM 987 C VAL A 64 -244.654 77.117 54.798 1.00 0.00 C ATOM 988 O VAL A 64 -244.092 76.176 54.240 1.00 0.00 O ATOM 989 CB VAL A 64 -243.418 78.910 53.547 1.00 0.00 C ATOM 990 CG1 VAL A 64 -244.494 78.885 52.470 1.00 0.00 C ATOM 991 CG2 VAL A 64 -242.807 80.299 53.651 1.00 0.00 C ATOM 0 H VAL A 64 -242.036 78.571 55.627 1.00 0.00 H new ATOM 0 HA VAL A 64 -244.746 79.227 55.181 1.00 0.00 H new ATOM 0 HB VAL A 64 -242.636 78.203 53.268 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -244.062 79.192 51.517 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -244.894 77.875 52.378 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -245.297 79.570 52.742 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -242.399 80.591 52.683 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -243.574 81.012 53.951 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -242.009 80.291 54.393 1.00 0.00 H new ATOM 1199 N SER A 77 -248.014 80.889 55.512 1.00 0.00 N ATOM 1200 CA SER A 77 -246.904 80.825 56.444 1.00 0.00 C ATOM 1201 C SER A 77 -247.373 80.620 57.875 1.00 0.00 C ATOM 1202 O SER A 77 -248.322 81.259 58.339 1.00 0.00 O ATOM 1203 CB SER A 77 -246.083 82.106 56.355 1.00 0.00 C ATOM 1204 OG SER A 77 -245.576 82.302 55.047 1.00 0.00 O ATOM 0 HA SER A 77 -246.291 79.967 56.168 1.00 0.00 H new ATOM 0 HB2 SER A 77 -246.701 82.957 56.639 1.00 0.00 H new ATOM 0 HB3 SER A 77 -245.257 82.061 57.065 1.00 0.00 H new ATOM 0 HG SER A 77 -244.617 82.496 55.094 1.00 0.00 H new ATOM 1210 N SER A 78 -246.702 79.714 58.559 1.00 0.00 N ATOM 1211 CA SER A 78 -246.893 79.526 59.977 1.00 0.00 C ATOM 1212 C SER A 78 -245.727 80.171 60.714 1.00 0.00 C ATOM 1213 O SER A 78 -244.636 79.606 60.787 1.00 0.00 O ATOM 1214 CB SER A 78 -246.988 78.035 60.302 1.00 0.00 C ATOM 1215 OG SER A 78 -248.047 77.431 59.576 1.00 0.00 O ATOM 0 H SER A 78 -246.010 79.090 58.144 1.00 0.00 H new ATOM 0 HA SER A 78 -247.824 79.995 60.296 1.00 0.00 H new ATOM 0 HB2 SER A 78 -246.046 77.544 60.058 1.00 0.00 H new ATOM 0 HB3 SER A 78 -247.150 77.900 61.371 1.00 0.00 H new ATOM 0 HG SER A 78 -248.091 76.477 59.795 1.00 0.00 H new ATOM 1221 N GLN A 79 -245.951 81.367 61.231 1.00 0.00 N ATOM 1222 CA GLN A 79 -244.883 82.135 61.843 1.00 0.00 C ATOM 1223 C GLN A 79 -244.862 81.889 63.349 1.00 0.00 C ATOM 1224 O GLN A 79 -245.900 81.924 64.007 1.00 0.00 O ATOM 1225 CB GLN A 79 -245.077 83.623 61.552 1.00 0.00 C ATOM 1226 CG GLN A 79 -243.849 84.462 61.854 1.00 0.00 C ATOM 1227 CD GLN A 79 -244.080 85.947 61.634 1.00 0.00 C ATOM 1228 OE1 GLN A 79 -243.378 86.773 62.391 1.00 0.00 O flip ATOM 1229 NE2 GLN A 79 -244.879 86.350 60.793 1.00 0.00 N flip ATOM 0 H GLN A 79 -246.862 81.826 61.239 1.00 0.00 H new ATOM 0 HA GLN A 79 -243.929 81.817 61.422 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -245.344 83.748 60.503 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -245.915 83.994 62.141 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -243.547 84.296 62.888 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -243.024 84.130 61.223 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -245.403 85.683 60.227 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -245.018 87.352 60.661 1.00 0.00 H new ATOM 1238 N ARG A 80 -243.682 81.627 63.879 1.00 0.00 N ATOM 1239 CA ARG A 80 -243.510 81.360 65.294 1.00 0.00 C ATOM 1240 C ARG A 80 -242.420 82.281 65.838 1.00 0.00 C ATOM 1241 O ARG A 80 -241.641 82.820 65.061 1.00 0.00 O ATOM 1242 CB ARG A 80 -243.114 79.897 65.473 1.00 0.00 C ATOM 1243 CG ARG A 80 -243.268 79.387 66.882 1.00 0.00 C ATOM 1244 CD ARG A 80 -244.499 78.513 67.024 1.00 0.00 C ATOM 1245 NE ARG A 80 -244.445 77.345 66.142 1.00 0.00 N ATOM 1246 CZ ARG A 80 -245.339 76.356 66.143 1.00 0.00 C ATOM 1247 NH1 ARG A 80 -246.392 76.394 66.954 1.00 0.00 N ATOM 1248 NH2 ARG A 80 -245.183 75.331 65.316 1.00 0.00 N ATOM 0 H ARG A 80 -242.816 81.593 63.341 1.00 0.00 H new ATOM 0 HA ARG A 80 -244.436 81.546 65.838 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -243.721 79.283 64.807 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -242.076 79.772 65.164 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -242.382 78.818 67.163 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -243.337 80.230 67.570 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -244.592 78.183 68.059 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -245.389 79.100 66.795 1.00 0.00 H new ATOM 0 HE ARG A 80 -243.670 77.284 65.482 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -246.522 77.186 67.584 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -247.070 75.632 66.946 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -244.383 75.303 64.684 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -245.863 74.571 65.312 1.00 0.00 H new ATOM 1262 N VAL A 81 -242.365 82.488 67.146 1.00 0.00 N ATOM 1263 CA VAL A 81 -241.332 83.350 67.716 1.00 0.00 C ATOM 1264 C VAL A 81 -240.401 82.542 68.623 1.00 0.00 C ATOM 1265 O VAL A 81 -240.837 81.610 69.300 1.00 0.00 O ATOM 1266 CB VAL A 81 -241.917 84.534 68.514 1.00 0.00 C ATOM 1267 CG1 VAL A 81 -241.018 85.757 68.375 1.00 0.00 C ATOM 1268 CG2 VAL A 81 -243.342 84.856 68.078 1.00 0.00 C ATOM 0 H VAL A 81 -243.009 82.081 67.824 1.00 0.00 H new ATOM 0 HA VAL A 81 -240.773 83.760 66.875 1.00 0.00 H new ATOM 0 HB VAL A 81 -241.957 84.245 69.564 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -241.441 86.586 68.942 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -240.025 85.524 68.759 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -240.944 86.037 67.324 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -243.720 85.695 68.662 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -243.348 85.118 67.020 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -243.978 83.985 68.240 1.00 0.00 H new ATOM 1278 N LEU A 82 -239.125 82.903 68.622 1.00 0.00 N ATOM 1279 CA LEU A 82 -238.095 82.155 69.340 1.00 0.00 C ATOM 1280 C LEU A 82 -237.667 82.867 70.606 1.00 0.00 C ATOM 1281 O LEU A 82 -237.725 84.094 70.695 1.00 0.00 O ATOM 1282 CB LEU A 82 -236.861 82.005 68.458 1.00 0.00 C ATOM 1283 CG LEU A 82 -237.127 81.561 67.029 1.00 0.00 C ATOM 1284 CD1 LEU A 82 -235.849 81.651 66.228 1.00 0.00 C ATOM 1285 CD2 LEU A 82 -237.685 80.152 66.998 1.00 0.00 C ATOM 0 H LEU A 82 -238.772 83.721 68.125 1.00 0.00 H new ATOM 0 HA LEU A 82 -238.520 81.185 69.597 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -236.337 82.960 68.431 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -236.188 81.285 68.924 1.00 0.00 H new ATOM 0 HG LEU A 82 -237.872 82.221 66.584 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -236.039 81.333 65.203 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -235.491 82.681 66.228 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -235.093 81.005 66.675 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -237.868 79.856 65.965 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -236.968 79.467 67.451 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -238.621 80.119 67.556 1.00 0.00 H new ATOM 1297 N LEU A 83 -237.221 82.087 71.576 1.00 0.00 N ATOM 1298 CA LEU A 83 -236.520 82.631 72.719 1.00 0.00 C ATOM 1299 C LEU A 83 -235.067 82.864 72.330 1.00 0.00 C ATOM 1300 O LEU A 83 -234.628 82.412 71.269 1.00 0.00 O ATOM 1301 CB LEU A 83 -236.600 81.693 73.931 1.00 0.00 C ATOM 1302 CG LEU A 83 -237.970 81.597 74.616 1.00 0.00 C ATOM 1303 CD1 LEU A 83 -238.970 80.835 73.756 1.00 0.00 C ATOM 1304 CD2 LEU A 83 -237.832 80.936 75.977 1.00 0.00 C ATOM 0 H LEU A 83 -237.334 81.073 71.592 1.00 0.00 H new ATOM 0 HA LEU A 83 -236.991 83.571 73.007 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -236.304 80.693 73.612 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -235.869 82.022 74.669 1.00 0.00 H new ATOM 0 HG LEU A 83 -238.350 82.610 74.750 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -239.929 80.786 74.271 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -239.096 81.348 72.803 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -238.601 79.825 73.578 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -238.811 80.874 76.452 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -237.424 79.933 75.855 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -237.162 81.526 76.602 1.00 0.00 H new ATOM 1316 N ASP A 84 -234.323 83.553 73.182 1.00 0.00 N ATOM 1317 CA ASP A 84 -232.934 83.908 72.888 1.00 0.00 C ATOM 1318 C ASP A 84 -232.120 82.682 72.482 1.00 0.00 C ATOM 1319 O ASP A 84 -231.324 82.733 71.539 1.00 0.00 O ATOM 1320 CB ASP A 84 -232.292 84.578 74.105 1.00 0.00 C ATOM 1321 CG ASP A 84 -233.119 85.732 74.631 1.00 0.00 C ATOM 1322 OD1 ASP A 84 -234.002 85.486 75.479 1.00 0.00 O ATOM 1323 OD2 ASP A 84 -232.904 86.883 74.192 1.00 0.00 O ATOM 0 H ASP A 84 -234.656 83.881 74.089 1.00 0.00 H new ATOM 0 HA ASP A 84 -232.938 84.605 72.050 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -232.160 83.839 74.895 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -231.299 84.939 73.836 1.00 0.00 H new ATOM 1328 N GLN A 85 -232.338 81.572 73.178 1.00 0.00 N ATOM 1329 CA GLN A 85 -231.608 80.352 72.908 1.00 0.00 C ATOM 1330 C GLN A 85 -232.514 79.245 72.373 1.00 0.00 C ATOM 1331 O GLN A 85 -232.255 78.063 72.605 1.00 0.00 O ATOM 1332 CB GLN A 85 -230.897 79.888 74.171 1.00 0.00 C ATOM 1333 CG GLN A 85 -231.785 79.838 75.402 1.00 0.00 C ATOM 1334 CD GLN A 85 -231.022 79.415 76.639 1.00 0.00 C ATOM 1335 OE1 GLN A 85 -230.476 80.251 77.359 1.00 0.00 O ATOM 1336 NE2 GLN A 85 -230.966 78.116 76.886 1.00 0.00 N ATOM 0 H GLN A 85 -233.018 81.498 73.935 1.00 0.00 H new ATOM 0 HA GLN A 85 -230.874 80.569 72.132 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -230.481 78.896 73.997 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -230.058 80.556 74.369 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -232.228 80.820 75.568 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -232.606 79.143 75.228 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -231.433 77.458 76.263 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -230.456 77.773 77.700 1.00 0.00 H new ATOM 1345 N GLU A 86 -233.558 79.620 71.630 1.00 0.00 N ATOM 1346 CA GLU A 86 -234.423 78.636 70.982 1.00 0.00 C ATOM 1347 C GLU A 86 -233.631 77.829 69.951 1.00 0.00 C ATOM 1348 O GLU A 86 -234.022 76.722 69.575 1.00 0.00 O ATOM 1349 CB GLU A 86 -235.593 79.347 70.308 1.00 0.00 C ATOM 1350 CG GLU A 86 -236.647 78.414 69.742 1.00 0.00 C ATOM 1351 CD GLU A 86 -237.272 77.532 70.798 1.00 0.00 C ATOM 1352 OE1 GLU A 86 -237.701 78.064 71.839 1.00 0.00 O ATOM 1353 OE2 GLU A 86 -237.339 76.302 70.581 1.00 0.00 O ATOM 0 H GLU A 86 -233.822 80.591 71.464 1.00 0.00 H new ATOM 0 HA GLU A 86 -234.808 77.949 71.736 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -236.064 80.013 71.031 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -235.208 79.973 69.503 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -237.426 79.003 69.259 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -236.197 77.788 68.972 1.00 0.00 H new ATOM 1360 N CYS A 87 -232.507 78.408 69.521 1.00 0.00 N ATOM 1361 CA CYS A 87 -231.598 77.794 68.562 1.00 0.00 C ATOM 1362 C CYS A 87 -232.200 77.785 67.157 1.00 0.00 C ATOM 1363 O CYS A 87 -233.275 77.239 66.927 1.00 0.00 O ATOM 1364 CB CYS A 87 -231.206 76.394 69.030 1.00 0.00 C ATOM 1365 SG CYS A 87 -230.404 76.364 70.654 1.00 0.00 S ATOM 0 H CYS A 87 -232.203 79.329 69.836 1.00 0.00 H new ATOM 0 HA CYS A 87 -230.689 78.393 68.508 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -232.099 75.769 69.064 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -230.534 75.950 68.295 1.00 0.00 H new ATOM 0 HG CYS A 87 -231.115 77.047 71.502 1.00 0.00 H new ATOM 1371 N VAL A 88 -231.492 78.395 66.217 1.00 0.00 N ATOM 1372 CA VAL A 88 -232.024 78.621 64.885 1.00 0.00 C ATOM 1373 C VAL A 88 -232.021 77.331 64.094 1.00 0.00 C ATOM 1374 O VAL A 88 -232.968 77.034 63.367 1.00 0.00 O ATOM 1375 CB VAL A 88 -231.223 79.704 64.128 1.00 0.00 C ATOM 1376 CG1 VAL A 88 -231.751 79.900 62.721 1.00 0.00 C ATOM 1377 CG2 VAL A 88 -231.268 81.017 64.879 1.00 0.00 C ATOM 0 H VAL A 88 -230.543 78.743 66.356 1.00 0.00 H new ATOM 0 HA VAL A 88 -233.049 78.976 64.995 1.00 0.00 H new ATOM 0 HB VAL A 88 -230.190 79.363 64.061 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -231.165 80.668 62.216 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -231.673 78.963 62.169 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -232.795 80.209 62.764 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -230.699 81.769 64.332 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -232.303 81.345 64.976 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -230.835 80.884 65.870 1.00 0.00 H new ATOM 1387 N PHE A 89 -230.977 76.538 64.265 1.00 0.00 N ATOM 1388 CA PHE A 89 -230.902 75.265 63.554 1.00 0.00 C ATOM 1389 C PHE A 89 -231.891 74.298 64.177 1.00 0.00 C ATOM 1390 O PHE A 89 -232.510 73.480 63.494 1.00 0.00 O ATOM 1391 CB PHE A 89 -229.475 74.695 63.558 1.00 0.00 C ATOM 1392 CG PHE A 89 -229.371 73.277 63.068 1.00 0.00 C ATOM 1393 CD1 PHE A 89 -229.506 72.209 63.946 1.00 0.00 C ATOM 1394 CD2 PHE A 89 -229.129 73.011 61.730 1.00 0.00 C ATOM 1395 CE1 PHE A 89 -229.401 70.906 63.494 1.00 0.00 C ATOM 1396 CE2 PHE A 89 -229.024 71.711 61.273 1.00 0.00 C ATOM 1397 CZ PHE A 89 -229.160 70.657 62.157 1.00 0.00 C ATOM 0 H PHE A 89 -230.185 76.742 64.874 1.00 0.00 H new ATOM 0 HA PHE A 89 -231.164 75.424 62.508 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -228.842 75.329 62.937 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -229.079 74.746 64.572 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -229.695 72.398 64.992 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -229.021 73.830 61.035 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -229.507 70.084 64.186 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -228.836 71.519 60.227 1.00 0.00 H new ATOM 0 HZ PHE A 89 -229.078 69.640 61.803 1.00 0.00 H new ATOM 1407 N GLN A 90 -232.055 74.434 65.480 1.00 0.00 N ATOM 1408 CA GLN A 90 -233.010 73.641 66.225 1.00 0.00 C ATOM 1409 C GLN A 90 -234.435 73.979 65.784 1.00 0.00 C ATOM 1410 O GLN A 90 -235.279 73.097 65.640 1.00 0.00 O ATOM 1411 CB GLN A 90 -232.836 73.915 67.711 1.00 0.00 C ATOM 1412 CG GLN A 90 -232.643 72.666 68.543 1.00 0.00 C ATOM 1413 CD GLN A 90 -232.550 72.954 70.028 1.00 0.00 C ATOM 1414 OE1 GLN A 90 -233.233 73.996 70.479 1.00 0.00 O flip ATOM 1415 NE2 GLN A 90 -231.873 72.241 70.766 1.00 0.00 N flip ATOM 0 H GLN A 90 -231.529 75.097 66.049 1.00 0.00 H new ATOM 0 HA GLN A 90 -232.834 72.583 66.031 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -231.977 74.571 67.852 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -233.711 74.453 68.077 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -233.473 71.983 68.362 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -231.735 72.157 68.219 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -231.362 71.448 70.380 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -231.823 72.443 71.765 1.00 0.00 H new ATOM 1424 N ALA A 91 -234.686 75.264 65.566 1.00 0.00 N ATOM 1425 CA ALA A 91 -235.977 75.723 65.075 1.00 0.00 C ATOM 1426 C ALA A 91 -236.193 75.280 63.635 1.00 0.00 C ATOM 1427 O ALA A 91 -237.283 74.860 63.262 1.00 0.00 O ATOM 1428 CB ALA A 91 -236.076 77.238 65.185 1.00 0.00 C ATOM 0 H ALA A 91 -234.008 76.009 65.723 1.00 0.00 H new ATOM 0 HA ALA A 91 -236.758 75.277 65.691 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -237.047 77.567 64.814 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -235.966 77.535 66.228 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -235.286 77.698 64.592 1.00 0.00 H new ATOM 1434 N GLN A 92 -235.138 75.356 62.837 1.00 0.00 N ATOM 1435 CA GLN A 92 -235.205 74.984 61.435 1.00 0.00 C ATOM 1436 C GLN A 92 -235.576 73.510 61.273 1.00 0.00 C ATOM 1437 O GLN A 92 -236.297 73.139 60.348 1.00 0.00 O ATOM 1438 CB GLN A 92 -233.867 75.261 60.760 1.00 0.00 C ATOM 1439 CG GLN A 92 -234.007 75.625 59.299 1.00 0.00 C ATOM 1440 CD GLN A 92 -232.679 75.901 58.623 1.00 0.00 C ATOM 1441 OE1 GLN A 92 -231.653 75.322 58.980 1.00 0.00 O ATOM 1442 NE2 GLN A 92 -232.686 76.796 57.646 1.00 0.00 N ATOM 0 H GLN A 92 -234.218 75.675 63.142 1.00 0.00 H new ATOM 0 HA GLN A 92 -235.981 75.584 60.960 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -233.363 76.073 61.284 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -233.231 74.380 60.850 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -234.512 74.813 58.776 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -234.643 76.506 59.210 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -233.558 77.254 57.380 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -231.820 77.027 57.160 1.00 0.00 H new ATOM 1451 N SER A 93 -235.084 72.674 62.180 1.00 0.00 N ATOM 1452 CA SER A 93 -235.369 71.244 62.131 1.00 0.00 C ATOM 1453 C SER A 93 -236.829 70.949 62.487 1.00 0.00 C ATOM 1454 O SER A 93 -237.336 69.858 62.213 1.00 0.00 O ATOM 1455 CB SER A 93 -234.415 70.470 63.052 1.00 0.00 C ATOM 1456 OG SER A 93 -234.507 70.900 64.402 1.00 0.00 O ATOM 0 H SER A 93 -234.487 72.960 62.956 1.00 0.00 H new ATOM 0 HA SER A 93 -235.207 70.909 61.107 1.00 0.00 H new ATOM 0 HB2 SER A 93 -234.642 69.405 62.995 1.00 0.00 H new ATOM 0 HB3 SER A 93 -233.391 70.597 62.701 1.00 0.00 H new ATOM 0 HG SER A 93 -234.942 71.777 64.437 1.00 0.00 H new ATOM 1462 N LYS A 94 -237.512 71.929 63.077 1.00 0.00 N ATOM 1463 CA LYS A 94 -238.921 71.783 63.414 1.00 0.00 C ATOM 1464 C LYS A 94 -239.781 71.903 62.165 1.00 0.00 C ATOM 1465 O LYS A 94 -240.897 71.388 62.112 1.00 0.00 O ATOM 1466 CB LYS A 94 -239.370 72.877 64.377 1.00 0.00 C ATOM 1467 CG LYS A 94 -238.578 72.985 65.664 1.00 0.00 C ATOM 1468 CD LYS A 94 -239.088 74.158 66.488 1.00 0.00 C ATOM 1469 CE LYS A 94 -238.189 74.477 67.669 1.00 0.00 C ATOM 1470 NZ LYS A 94 -238.619 75.726 68.352 1.00 0.00 N ATOM 0 H LYS A 94 -237.109 72.831 63.330 1.00 0.00 H new ATOM 0 HA LYS A 94 -239.039 70.802 63.875 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -239.319 73.835 63.859 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -240.417 72.706 64.629 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -238.668 72.061 66.235 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -237.520 73.119 65.440 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -239.169 75.038 65.850 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -240.091 73.934 66.850 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -238.207 73.648 68.377 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -237.159 74.583 67.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -237.888 76.020 69.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -238.758 76.477 67.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -239.512 75.556 68.857 1.00 0.00 H new ATOM 1484 N TRP A 95 -239.247 72.594 61.170 1.00 0.00 N ATOM 1485 CA TRP A 95 -240.024 73.021 60.016 1.00 0.00 C ATOM 1486 C TRP A 95 -240.562 71.863 59.193 1.00 0.00 C ATOM 1487 O TRP A 95 -240.010 70.762 59.182 1.00 0.00 O ATOM 1488 CB TRP A 95 -239.197 73.947 59.131 1.00 0.00 C ATOM 1489 CG TRP A 95 -238.971 75.291 59.745 1.00 0.00 C ATOM 1490 CD1 TRP A 95 -239.361 75.704 60.984 1.00 0.00 C ATOM 1491 CD2 TRP A 95 -238.306 76.396 59.143 1.00 0.00 C ATOM 1492 NE1 TRP A 95 -238.987 77.005 61.185 1.00 0.00 N ATOM 1493 CE2 TRP A 95 -238.334 77.454 60.069 1.00 0.00 C ATOM 1494 CE3 TRP A 95 -237.692 76.592 57.908 1.00 0.00 C ATOM 1495 CZ2 TRP A 95 -237.767 78.692 59.792 1.00 0.00 C ATOM 1496 CZ3 TRP A 95 -237.129 77.821 57.637 1.00 0.00 C ATOM 1497 CH2 TRP A 95 -237.171 78.855 58.573 1.00 0.00 C ATOM 0 H TRP A 95 -238.267 72.874 61.139 1.00 0.00 H new ATOM 0 HA TRP A 95 -240.888 73.557 60.410 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -238.234 73.480 58.926 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -239.701 74.071 58.173 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -239.888 75.094 61.702 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -239.166 77.551 62.028 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -237.658 75.797 57.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -237.796 79.495 60.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -236.648 77.986 56.684 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -236.722 79.806 58.328 1.00 0.00 H new ATOM 1508 N LYS A 96 -241.656 72.146 58.513 1.00 0.00 N ATOM 1509 CA LYS A 96 -242.279 71.202 57.594 1.00 0.00 C ATOM 1510 C LYS A 96 -242.656 71.950 56.330 1.00 0.00 C ATOM 1511 O LYS A 96 -243.560 71.573 55.581 1.00 0.00 O ATOM 1512 CB LYS A 96 -243.501 70.542 58.237 1.00 0.00 C ATOM 1513 CG LYS A 96 -243.236 69.111 58.694 1.00 0.00 C ATOM 1514 CD LYS A 96 -244.429 68.520 59.424 1.00 0.00 C ATOM 1515 CE LYS A 96 -244.514 69.015 60.859 1.00 0.00 C ATOM 1516 NZ LYS A 96 -243.432 68.444 61.710 1.00 0.00 N ATOM 0 H LYS A 96 -242.143 73.040 58.580 1.00 0.00 H new ATOM 0 HA LYS A 96 -241.581 70.402 57.349 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -243.820 71.137 59.093 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -244.325 70.543 57.523 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -242.996 68.492 57.829 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -242.365 69.094 59.349 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -245.345 68.781 58.894 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -244.357 67.432 59.418 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -244.450 70.103 60.872 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -245.484 68.748 61.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -243.672 68.578 62.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -243.333 67.428 61.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -242.535 68.927 61.501 1.00 0.00 H new ATOM 1530 N GLY A 97 -241.923 73.026 56.123 1.00 0.00 N ATOM 1531 CA GLY A 97 -242.107 73.901 54.994 1.00 0.00 C ATOM 1532 C GLY A 97 -240.945 74.860 54.933 1.00 0.00 C ATOM 1533 O GLY A 97 -240.330 75.132 55.964 1.00 0.00 O ATOM 0 H GLY A 97 -241.171 73.317 56.748 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -242.168 73.322 54.073 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -243.045 74.449 55.089 1.00 0.00 H new ATOM 1537 N ALA A 98 -240.615 75.367 53.763 1.00 0.00 N ATOM 1538 CA ALA A 98 -239.441 76.214 53.641 1.00 0.00 C ATOM 1539 C ALA A 98 -239.761 77.651 54.026 1.00 0.00 C ATOM 1540 O ALA A 98 -240.324 78.401 53.233 1.00 0.00 O ATOM 1541 CB ALA A 98 -238.864 76.144 52.234 1.00 0.00 C ATOM 0 H ALA A 98 -241.130 75.213 52.896 1.00 0.00 H new ATOM 0 HA ALA A 98 -238.686 75.842 54.334 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -237.986 76.787 52.168 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -238.579 75.116 52.008 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -239.613 76.479 51.516 1.00 0.00 H new ATOM 1547 N GLY A 99 -239.397 78.026 55.245 1.00 0.00 N ATOM 1548 CA GLY A 99 -239.718 79.346 55.739 1.00 0.00 C ATOM 1549 C GLY A 99 -238.514 80.264 55.793 1.00 0.00 C ATOM 1550 O GLY A 99 -237.530 80.071 55.076 1.00 0.00 O ATOM 0 H GLY A 99 -238.884 77.436 55.900 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -240.480 79.792 55.100 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -240.148 79.260 56.737 1.00 0.00 H new ATOM 1554 N LYS A 100 -238.587 81.243 56.680 1.00 0.00 N ATOM 1555 CA LYS A 100 -237.519 82.212 56.872 1.00 0.00 C ATOM 1556 C LYS A 100 -237.473 82.602 58.330 1.00 0.00 C ATOM 1557 O LYS A 100 -238.517 82.697 58.979 1.00 0.00 O ATOM 1558 CB LYS A 100 -237.732 83.483 56.058 1.00 0.00 C ATOM 1559 CG LYS A 100 -238.023 83.230 54.598 1.00 0.00 C ATOM 1560 CD LYS A 100 -239.269 83.961 54.173 1.00 0.00 C ATOM 1561 CE LYS A 100 -240.473 83.505 54.980 1.00 0.00 C ATOM 1562 NZ LYS A 100 -241.713 84.257 54.644 1.00 0.00 N ATOM 0 H LYS A 100 -239.392 81.389 57.290 1.00 0.00 H new ATOM 0 HA LYS A 100 -236.592 81.744 56.543 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -238.558 84.047 56.491 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -236.843 84.108 56.139 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -237.178 83.556 53.991 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -238.145 82.161 54.426 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -239.126 85.034 54.301 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -239.452 83.788 53.112 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -240.640 82.442 54.805 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -240.258 83.624 56.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -242.545 83.681 54.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -241.738 85.145 55.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -241.724 84.471 53.626 1.00 0.00 H new ATOM 1576 N PHE A 101 -236.291 82.826 58.857 1.00 0.00 N ATOM 1577 CA PHE A 101 -236.192 83.411 60.170 1.00 0.00 C ATOM 1578 C PHE A 101 -236.387 84.919 60.042 1.00 0.00 C ATOM 1579 O PHE A 101 -236.170 85.483 58.972 1.00 0.00 O ATOM 1580 CB PHE A 101 -234.861 83.023 60.804 1.00 0.00 C ATOM 1581 CG PHE A 101 -234.762 81.535 61.005 1.00 0.00 C ATOM 1582 CD1 PHE A 101 -235.312 80.940 62.130 1.00 0.00 C ATOM 1583 CD2 PHE A 101 -234.150 80.727 60.058 1.00 0.00 C ATOM 1584 CE1 PHE A 101 -235.253 79.572 62.310 1.00 0.00 C ATOM 1585 CE2 PHE A 101 -234.085 79.356 60.234 1.00 0.00 C ATOM 1586 CZ PHE A 101 -234.639 78.780 61.361 1.00 0.00 C ATOM 0 H PHE A 101 -235.401 82.616 58.405 1.00 0.00 H new ATOM 0 HA PHE A 101 -236.969 83.035 60.835 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -234.042 83.361 60.170 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -234.752 83.529 61.763 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -235.793 81.555 62.876 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -233.719 81.173 59.174 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -235.686 79.123 63.191 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -233.602 78.737 59.492 1.00 0.00 H new ATOM 0 HZ PHE A 101 -234.592 77.710 61.499 1.00 0.00 H new ATOM 1596 N ILE A 102 -236.867 85.564 61.088 1.00 0.00 N ATOM 1597 CA ILE A 102 -237.217 86.979 60.997 1.00 0.00 C ATOM 1598 C ILE A 102 -236.712 87.756 62.206 1.00 0.00 C ATOM 1599 O ILE A 102 -236.961 87.371 63.343 1.00 0.00 O ATOM 1600 CB ILE A 102 -238.749 87.161 60.867 1.00 0.00 C ATOM 1601 CG1 ILE A 102 -239.260 86.532 59.566 1.00 0.00 C ATOM 1602 CG2 ILE A 102 -239.124 88.632 60.921 1.00 0.00 C ATOM 1603 CD1 ILE A 102 -240.770 86.539 59.435 1.00 0.00 C ATOM 0 H ILE A 102 -237.024 85.142 62.003 1.00 0.00 H new ATOM 0 HA ILE A 102 -236.733 87.374 60.104 1.00 0.00 H new ATOM 0 HB ILE A 102 -239.221 86.653 61.708 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -238.829 87.068 58.720 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -238.904 85.503 59.506 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -240.205 88.736 60.828 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -238.800 89.056 61.871 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -238.637 89.162 60.103 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -241.055 86.078 58.490 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -241.209 85.978 60.260 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -241.133 87.567 59.461 1.00 0.00 H new ATOM 1615 N LEU A 103 -236.000 88.845 61.955 1.00 0.00 N ATOM 1616 CA LEU A 103 -235.499 89.690 63.028 1.00 0.00 C ATOM 1617 C LEU A 103 -236.630 90.562 63.565 1.00 0.00 C ATOM 1618 O LEU A 103 -237.350 91.192 62.790 1.00 0.00 O ATOM 1619 CB LEU A 103 -234.364 90.584 62.521 1.00 0.00 C ATOM 1620 CG LEU A 103 -233.493 91.201 63.614 1.00 0.00 C ATOM 1621 CD1 LEU A 103 -232.292 90.318 63.897 1.00 0.00 C ATOM 1622 CD2 LEU A 103 -233.045 92.598 63.231 1.00 0.00 C ATOM 0 H LEU A 103 -235.756 89.164 61.017 1.00 0.00 H new ATOM 0 HA LEU A 103 -235.116 89.052 63.824 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -233.728 89.998 61.858 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -234.794 91.387 61.923 1.00 0.00 H new ATOM 0 HG LEU A 103 -234.093 91.276 64.521 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -231.682 90.772 64.678 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -232.632 89.336 64.227 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -231.698 90.210 62.990 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -232.427 93.013 64.027 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -232.467 92.554 62.308 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -233.919 93.232 63.082 1.00 0.00 H new ATOM 1634 N LYS A 104 -236.806 90.590 64.876 1.00 0.00 N ATOM 1635 CA LYS A 104 -237.861 91.395 65.473 1.00 0.00 C ATOM 1636 C LYS A 104 -237.457 91.822 66.877 1.00 0.00 C ATOM 1637 O LYS A 104 -236.412 91.416 67.378 1.00 0.00 O ATOM 1638 CB LYS A 104 -239.169 90.597 65.520 1.00 0.00 C ATOM 1639 CG LYS A 104 -240.421 91.462 65.464 1.00 0.00 C ATOM 1640 CD LYS A 104 -240.500 92.219 64.151 1.00 0.00 C ATOM 1641 CE LYS A 104 -240.673 91.274 62.970 1.00 0.00 C ATOM 1642 NZ LYS A 104 -239.836 91.692 61.808 1.00 0.00 N ATOM 0 H LYS A 104 -236.237 90.069 65.543 1.00 0.00 H new ATOM 0 HA LYS A 104 -238.015 92.286 64.864 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -239.186 89.896 64.686 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -239.189 90.004 66.435 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -241.306 90.836 65.581 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -240.418 92.167 66.295 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -241.335 92.919 64.183 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -239.594 92.810 64.016 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -240.402 90.262 63.270 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -241.722 91.248 62.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -240.200 91.248 60.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -239.872 92.727 61.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -238.852 91.393 61.963 1.00 0.00 H new ATOM 1656 N LEU A 105 -238.285 92.634 67.513 1.00 0.00 N ATOM 1657 CA LEU A 105 -238.024 93.058 68.875 1.00 0.00 C ATOM 1658 C LEU A 105 -238.882 92.277 69.844 1.00 0.00 C ATOM 1659 O LEU A 105 -240.084 92.142 69.651 1.00 0.00 O ATOM 1660 CB LEU A 105 -238.305 94.544 69.090 1.00 0.00 C ATOM 1661 CG LEU A 105 -237.121 95.497 68.922 1.00 0.00 C ATOM 1662 CD1 LEU A 105 -236.563 95.430 67.522 1.00 0.00 C ATOM 1663 CD2 LEU A 105 -237.529 96.922 69.265 1.00 0.00 C ATOM 0 H LEU A 105 -239.142 93.011 67.107 1.00 0.00 H new ATOM 0 HA LEU A 105 -236.965 92.872 69.054 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -239.087 94.847 68.394 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -238.706 94.673 70.095 1.00 0.00 H new ATOM 0 HG LEU A 105 -236.338 95.184 69.612 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -235.722 96.118 67.432 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -236.225 94.415 67.313 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -237.338 95.709 66.808 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -236.673 97.586 69.140 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -238.334 97.239 68.603 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -237.872 96.963 70.299 1.00 0.00 H new ATOM 1675 N LYS A 106 -238.258 91.796 70.898 1.00 0.00 N ATOM 1676 CA LYS A 106 -238.965 91.134 71.987 1.00 0.00 C ATOM 1677 C LYS A 106 -239.906 92.111 72.667 1.00 0.00 C ATOM 1678 O LYS A 106 -240.943 91.736 73.196 1.00 0.00 O ATOM 1679 CB LYS A 106 -237.959 90.609 73.000 1.00 0.00 C ATOM 1680 CG LYS A 106 -236.644 91.345 72.929 1.00 0.00 C ATOM 1681 CD LYS A 106 -235.782 91.137 74.150 1.00 0.00 C ATOM 1682 CE LYS A 106 -235.569 89.674 74.456 1.00 0.00 C ATOM 1683 NZ LYS A 106 -234.451 89.077 73.673 1.00 0.00 N ATOM 0 H LYS A 106 -237.248 91.850 71.029 1.00 0.00 H new ATOM 0 HA LYS A 106 -239.545 90.304 71.583 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -238.373 90.704 74.004 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -237.789 89.547 72.824 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -236.097 91.015 72.045 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -236.837 92.411 72.805 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -234.816 91.619 73.997 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -236.248 91.622 75.008 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -235.365 89.556 75.520 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -236.487 89.126 74.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -234.272 88.108 74.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -234.706 89.055 72.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -233.593 89.651 73.800 1.00 0.00 H new