USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 900 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 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 34 GLN : amide:sc= -1.2 K(o=-1.5,f=-2.5) USER MOD Set 2.2: A 105 THR OG1 : rot 124:sc= -0.31 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc=-0.00416 X(o=-0.0042,f=-0.15) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 29 SER OG : rot -67:sc= -1.13! USER MOD Single : A 30 CYS SG : rot -18:sc= 0.58 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 32 TYR OH : rot 165:sc= -0.669 USER MOD Single : A 33 LYS NZ :NH3+ -120:sc= 0.111 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -153:sc= 0.324 (180deg=-0.504) USER MOD Single : A 40 ASN : amide:sc= -0.041 X(o=-0.041,f=0.2) USER MOD Single : A 43 THR OG1 : rot -106:sc= 1.21 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 26:sc= 0.728 USER MOD Single : A 47 ASN : amide:sc= -0.48 K(o=-0.48,f=-1) USER MOD Single : A 51 SER OG : rot 100:sc= -2.94! USER MOD Single : A 56 MET CE :methyl -176:sc= -2.21 (180deg=-2.49) USER MOD Single : A 68 HIS : no HD1:sc= -0.361 K(o=-0.36,f=-1.3) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 93 CYS SG : rot 180:sc=-0.00827 USER MOD Single : A 96 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 102 CYS SG : rot 0:sc= -0.541 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -90:sc= 0.896 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 114 GLN : amide:sc= -0.0726 X(o=-0.073,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.289 K(o=-0.29,f=-3!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.427 F(o=-0.96,f=-0.43) USER MOD Single : A 121 GLN : amide:sc= -0.0072 X(o=-0.0072,f=-0.099) USER MOD Single : A 122 SER OG : rot 110:sc= -0.0325 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 10.248 14.028 4.383 1.00 65.20 N ATOM 136 CA ALA A 10 9.682 14.370 5.682 1.00 42.44 C ATOM 137 C ALA A 10 9.154 13.130 6.395 1.00 53.44 C ATOM 138 O ALA A 10 8.168 13.197 7.129 1.00 55.43 O ATOM 139 CB ALA A 10 8.574 15.401 5.519 1.00 23.51 C ATOM 0 HA ALA A 10 10.475 14.798 6.295 1.00 42.44 H new ATOM 0 HB1 ALA A 10 8.160 15.648 6.497 1.00 23.51 H new ATOM 0 HB2 ALA A 10 8.980 16.302 5.059 1.00 23.51 H new ATOM 0 HB3 ALA A 10 7.788 14.993 4.884 1.00 23.51 H new ATOM 145 N TYR A 11 9.815 12.000 6.173 1.00 30.23 N ATOM 146 CA TYR A 11 9.409 10.743 6.792 1.00 5.55 C ATOM 147 C TYR A 11 10.554 10.140 7.600 1.00 23.23 C ATOM 148 O TYR A 11 11.726 10.464 7.404 1.00 54.13 O ATOM 149 CB TYR A 11 8.945 9.751 5.725 1.00 10.21 C ATOM 150 CG TYR A 11 7.444 9.578 5.671 1.00 11.34 C ATOM 151 CD1 TYR A 11 6.605 10.672 5.500 1.00 53.45 C ATOM 152 CD2 TYR A 11 6.865 8.321 5.794 1.00 54.44 C ATOM 153 CE1 TYR A 11 5.233 10.519 5.451 1.00 55.44 C ATOM 154 CE2 TYR A 11 5.494 8.159 5.744 1.00 33.23 C ATOM 155 CZ TYR A 11 4.682 9.261 5.573 1.00 71.31 C ATOM 156 OH TYR A 11 3.316 9.103 5.525 1.00 52.12 O ATOM 0 H TYR A 11 10.634 11.928 5.569 1.00 30.23 H new ATOM 0 HA TYR A 11 8.580 10.951 7.469 1.00 5.55 H new ATOM 0 HB2 TYR A 11 9.299 10.087 4.750 1.00 10.21 H new ATOM 0 HB3 TYR A 11 9.407 8.783 5.916 1.00 10.21 H new ATOM 0 HD1 TYR A 11 7.033 11.659 5.404 1.00 53.45 H new ATOM 0 HD2 TYR A 11 7.497 7.456 5.931 1.00 54.44 H new ATOM 0 HE1 TYR A 11 4.595 11.380 5.318 1.00 55.44 H new ATOM 0 HE2 TYR A 11 5.060 7.175 5.838 1.00 33.23 H new ATOM 0 HH TYR A 11 3.093 8.154 5.625 1.00 52.12 H new ATOM 166 N PRO A 12 10.209 9.239 8.532 1.00 72.10 N ATOM 167 CA PRO A 12 8.818 8.846 8.775 1.00 32.53 C ATOM 168 C PRO A 12 8.002 9.964 9.414 1.00 2.43 C ATOM 169 O PRO A 12 8.542 11.009 9.780 1.00 43.42 O ATOM 170 CB PRO A 12 8.947 7.662 9.737 1.00 20.31 C ATOM 171 CG PRO A 12 10.250 7.875 10.428 1.00 54.31 C ATOM 172 CD PRO A 12 11.149 8.535 9.420 1.00 4.30 C ATOM 0 HA PRO A 12 8.295 8.606 7.849 1.00 32.53 H new ATOM 0 HB2 PRO A 12 8.121 7.638 10.448 1.00 20.31 H new ATOM 0 HB3 PRO A 12 8.934 6.713 9.201 1.00 20.31 H new ATOM 0 HG2 PRO A 12 10.126 8.503 11.310 1.00 54.31 H new ATOM 0 HG3 PRO A 12 10.672 6.929 10.767 1.00 54.31 H new ATOM 0 HD2 PRO A 12 11.846 9.225 9.895 1.00 4.30 H new ATOM 0 HD3 PRO A 12 11.746 7.804 8.875 1.00 4.30 H new ATOM 180 N LEU A 13 6.700 9.739 9.547 1.00 53.34 N ATOM 181 CA LEU A 13 5.809 10.729 10.143 1.00 71.05 C ATOM 182 C LEU A 13 4.991 10.114 11.274 1.00 3.30 C ATOM 183 O LEU A 13 4.295 9.118 11.080 1.00 41.31 O ATOM 184 CB LEU A 13 4.874 11.309 9.079 1.00 24.33 C ATOM 185 CG LEU A 13 4.008 12.489 9.519 1.00 12.30 C ATOM 186 CD1 LEU A 13 4.872 13.704 9.816 1.00 5.55 C ATOM 187 CD2 LEU A 13 2.972 12.817 8.453 1.00 5.10 C ATOM 0 H LEU A 13 6.237 8.880 9.250 1.00 53.34 H new ATOM 0 HA LEU A 13 6.421 11.531 10.556 1.00 71.05 H new ATOM 0 HB2 LEU A 13 5.477 11.624 8.227 1.00 24.33 H new ATOM 0 HB3 LEU A 13 4.217 10.513 8.728 1.00 24.33 H new ATOM 0 HG LEU A 13 3.484 12.209 10.433 1.00 12.30 H new ATOM 0 HD11 LEU A 13 4.238 14.534 10.128 1.00 5.55 H new ATOM 0 HD12 LEU A 13 5.575 13.464 10.614 1.00 5.55 H new ATOM 0 HD13 LEU A 13 5.424 13.986 8.919 1.00 5.55 H new ATOM 0 HD21 LEU A 13 2.364 13.660 8.783 1.00 5.10 H new ATOM 0 HD22 LEU A 13 3.477 13.076 7.522 1.00 5.10 H new ATOM 0 HD23 LEU A 13 2.332 11.950 8.289 1.00 5.10 H new ATOM 199 N ALA A 14 5.079 10.716 12.456 1.00 44.45 N ATOM 200 CA ALA A 14 4.345 10.231 13.617 1.00 33.10 C ATOM 201 C ALA A 14 2.876 10.634 13.545 1.00 12.45 C ATOM 202 O ALA A 14 2.550 11.821 13.497 1.00 33.43 O ATOM 203 CB ALA A 14 4.976 10.755 14.898 1.00 3.31 C ATOM 0 H ALA A 14 5.652 11.541 12.634 1.00 44.45 H new ATOM 0 HA ALA A 14 4.397 9.142 13.619 1.00 33.10 H new ATOM 0 HB1 ALA A 14 4.417 10.384 15.757 1.00 3.31 H new ATOM 0 HB2 ALA A 14 6.009 10.412 14.962 1.00 3.31 H new ATOM 0 HB3 ALA A 14 4.955 11.845 14.894 1.00 3.31 H new ATOM 209 N ASP A 15 1.994 9.641 13.538 1.00 20.12 N ATOM 210 CA ASP A 15 0.559 9.893 13.473 1.00 61.32 C ATOM 211 C ASP A 15 0.113 10.796 14.618 1.00 2.21 C ATOM 212 O ASP A 15 0.729 10.814 15.684 1.00 75.43 O ATOM 213 CB ASP A 15 -0.214 8.574 13.516 1.00 32.24 C ATOM 214 CG ASP A 15 0.309 7.631 14.582 1.00 14.14 C ATOM 215 OD1 ASP A 15 0.854 8.122 15.592 1.00 1.44 O ATOM 216 OD2 ASP A 15 0.173 6.402 14.406 1.00 21.03 O ATOM 0 H ASP A 15 2.247 8.654 13.577 1.00 20.12 H new ATOM 0 HA ASP A 15 0.346 10.399 12.532 1.00 61.32 H new ATOM 0 HB2 ASP A 15 -1.268 8.780 13.703 1.00 32.24 H new ATOM 0 HB3 ASP A 15 -0.152 8.088 12.542 1.00 32.24 H new ATOM 221 N ALA A 16 -0.960 11.546 14.390 1.00 50.20 N ATOM 222 CA ALA A 16 -1.489 12.451 15.403 1.00 43.43 C ATOM 223 C ALA A 16 -1.759 11.715 16.710 1.00 23.23 C ATOM 224 O ALA A 16 -1.690 12.302 17.791 1.00 62.52 O ATOM 225 CB ALA A 16 -2.759 13.122 14.900 1.00 21.42 C ATOM 0 H ALA A 16 -1.480 11.545 13.513 1.00 50.20 H new ATOM 0 HA ALA A 16 -0.739 13.218 15.597 1.00 43.43 H new ATOM 0 HB1 ALA A 16 -3.143 13.795 15.667 1.00 21.42 H new ATOM 0 HB2 ALA A 16 -2.537 13.690 13.997 1.00 21.42 H new ATOM 0 HB3 ALA A 16 -3.508 12.362 14.676 1.00 21.42 H new ATOM 231 N HIS A 17 -2.067 10.426 16.605 1.00 31.04 N ATOM 232 CA HIS A 17 -2.348 9.609 17.781 1.00 64.13 C ATOM 233 C HIS A 17 -1.138 9.558 18.709 1.00 45.25 C ATOM 234 O HIS A 17 -1.237 9.879 19.894 1.00 61.53 O ATOM 235 CB HIS A 17 -2.743 8.193 17.361 1.00 62.21 C ATOM 236 CG HIS A 17 -4.123 7.804 17.792 1.00 33.41 C ATOM 237 ND1 HIS A 17 -4.385 7.145 18.975 1.00 65.31 N ATOM 238 CD2 HIS A 17 -5.323 7.986 17.192 1.00 63.43 C ATOM 239 CE1 HIS A 17 -5.685 6.937 19.083 1.00 63.45 C ATOM 240 NE2 HIS A 17 -6.277 7.438 18.014 1.00 62.15 N ATOM 0 H HIS A 17 -2.128 9.925 15.719 1.00 31.04 H new ATOM 0 HA HIS A 17 -3.178 10.065 18.320 1.00 64.13 H new ATOM 0 HB2 HIS A 17 -2.674 8.112 16.276 1.00 62.21 H new ATOM 0 HB3 HIS A 17 -2.027 7.486 17.780 1.00 62.21 H new ATOM 0 HD2 HIS A 17 -5.498 8.472 16.243 1.00 63.43 H new ATOM 0 HE1 HIS A 17 -6.180 6.442 19.905 1.00 63.45 H new ATOM 0 HE2 HIS A 17 -7.280 7.421 17.829 1.00 62.15 H new ATOM 248 N LEU A 18 0.004 9.153 18.163 1.00 52.35 N ATOM 249 CA LEU A 18 1.234 9.060 18.941 1.00 33.44 C ATOM 250 C LEU A 18 1.773 10.447 19.277 1.00 34.42 C ATOM 251 O LEU A 18 2.254 10.687 20.385 1.00 35.22 O ATOM 252 CB LEU A 18 2.289 8.263 18.172 1.00 74.31 C ATOM 253 CG LEU A 18 3.605 8.006 18.907 1.00 14.41 C ATOM 254 CD1 LEU A 18 3.463 6.830 19.861 1.00 51.41 C ATOM 255 CD2 LEU A 18 4.731 7.757 17.914 1.00 15.51 C ATOM 0 H LEU A 18 0.103 8.884 17.184 1.00 52.35 H new ATOM 0 HA LEU A 18 1.006 8.544 19.873 1.00 33.44 H new ATOM 0 HB2 LEU A 18 1.858 7.301 17.894 1.00 74.31 H new ATOM 0 HB3 LEU A 18 2.511 8.792 17.245 1.00 74.31 H new ATOM 0 HG LEU A 18 3.852 8.893 19.491 1.00 14.41 H new ATOM 0 HD11 LEU A 18 4.409 6.662 20.375 1.00 51.41 H new ATOM 0 HD12 LEU A 18 2.686 7.048 20.594 1.00 51.41 H new ATOM 0 HD13 LEU A 18 3.192 5.936 19.299 1.00 51.41 H new ATOM 0 HD21 LEU A 18 5.660 7.576 18.455 1.00 15.51 H new ATOM 0 HD22 LEU A 18 4.491 6.887 17.303 1.00 15.51 H new ATOM 0 HD23 LEU A 18 4.849 8.630 17.272 1.00 15.51 H new ATOM 267 N THR A 19 1.687 11.358 18.313 1.00 2.44 N ATOM 268 CA THR A 19 2.165 12.722 18.507 1.00 73.34 C ATOM 269 C THR A 19 1.551 13.348 19.754 1.00 61.32 C ATOM 270 O THR A 19 2.199 14.128 20.453 1.00 75.34 O ATOM 271 CB THR A 19 1.841 13.608 17.289 1.00 4.10 C ATOM 272 OG1 THR A 19 2.355 13.007 16.095 1.00 21.12 O ATOM 273 CG2 THR A 19 2.435 14.998 17.459 1.00 42.32 C ATOM 0 H THR A 19 1.291 11.177 17.391 1.00 2.44 H new ATOM 0 HA THR A 19 3.247 12.664 18.628 1.00 73.34 H new ATOM 0 HB THR A 19 0.758 13.699 17.212 1.00 4.10 H new ATOM 0 HG1 THR A 19 1.772 12.268 15.824 1.00 21.12 H new ATOM 0 HG21 THR A 19 2.194 15.606 16.587 1.00 42.32 H new ATOM 0 HG22 THR A 19 2.020 15.464 18.353 1.00 42.32 H new ATOM 0 HG23 THR A 19 3.518 14.921 17.559 1.00 42.32 H new ATOM 281 N LYS A 20 0.298 13.001 20.029 1.00 63.12 N ATOM 282 CA LYS A 20 -0.404 13.527 21.194 1.00 65.14 C ATOM 283 C LYS A 20 0.396 13.279 22.469 1.00 60.54 C ATOM 284 O LYS A 20 0.619 14.193 23.262 1.00 33.04 O ATOM 285 CB LYS A 20 -1.788 12.885 21.314 1.00 45.03 C ATOM 286 CG LYS A 20 -2.682 13.556 22.341 1.00 14.50 C ATOM 287 CD LYS A 20 -2.792 12.729 23.611 1.00 71.03 C ATOM 288 CE LYS A 20 -3.851 13.287 24.550 1.00 64.22 C ATOM 289 NZ LYS A 20 -4.913 12.286 24.845 1.00 21.12 N ATOM 0 H LYS A 20 -0.252 12.357 19.461 1.00 63.12 H new ATOM 0 HA LYS A 20 -0.520 14.603 21.062 1.00 65.14 H new ATOM 0 HB2 LYS A 20 -2.279 12.916 20.341 1.00 45.03 H new ATOM 0 HB3 LYS A 20 -1.670 11.834 21.578 1.00 45.03 H new ATOM 0 HG2 LYS A 20 -2.285 14.542 22.581 1.00 14.50 H new ATOM 0 HG3 LYS A 20 -3.675 13.707 21.917 1.00 14.50 H new ATOM 0 HD2 LYS A 20 -3.038 11.698 23.355 1.00 71.03 H new ATOM 0 HD3 LYS A 20 -1.828 12.710 24.119 1.00 71.03 H new ATOM 0 HE2 LYS A 20 -3.381 13.603 25.481 1.00 64.22 H new ATOM 0 HE3 LYS A 20 -4.301 14.174 24.104 1.00 64.22 H new ATOM 0 HZ1 LYS A 20 -5.615 12.704 25.488 1.00 21.12 H new ATOM 0 HZ2 LYS A 20 -5.379 12.003 23.959 1.00 21.12 H new ATOM 0 HZ3 LYS A 20 -4.487 11.450 25.294 1.00 21.12 H new ATOM 303 N LYS A 21 0.827 12.036 22.659 1.00 40.13 N ATOM 304 CA LYS A 21 1.605 11.667 23.836 1.00 54.14 C ATOM 305 C LYS A 21 3.011 12.253 23.764 1.00 22.11 C ATOM 306 O LYS A 21 3.583 12.647 24.781 1.00 23.44 O ATOM 307 CB LYS A 21 1.681 10.144 23.965 1.00 51.11 C ATOM 308 CG LYS A 21 0.321 9.472 24.053 1.00 5.44 C ATOM 309 CD LYS A 21 0.327 8.111 23.378 1.00 2.22 C ATOM 310 CE LYS A 21 -0.980 7.847 22.646 1.00 24.31 C ATOM 311 NZ LYS A 21 -1.893 6.978 23.439 1.00 53.13 N ATOM 0 H LYS A 21 0.650 11.267 22.013 1.00 40.13 H new ATOM 0 HA LYS A 21 1.105 12.075 24.714 1.00 54.14 H new ATOM 0 HB2 LYS A 21 2.221 9.742 23.108 1.00 51.11 H new ATOM 0 HB3 LYS A 21 2.260 9.891 24.853 1.00 51.11 H new ATOM 0 HG2 LYS A 21 0.037 9.359 25.099 1.00 5.44 H new ATOM 0 HG3 LYS A 21 -0.431 10.108 23.585 1.00 5.44 H new ATOM 0 HD2 LYS A 21 1.157 8.056 22.674 1.00 2.22 H new ATOM 0 HD3 LYS A 21 0.491 7.334 24.125 1.00 2.22 H new ATOM 0 HE2 LYS A 21 -1.475 8.795 22.433 1.00 24.31 H new ATOM 0 HE3 LYS A 21 -0.770 7.374 21.687 1.00 24.31 H new ATOM 0 HZ1 LYS A 21 -2.773 6.821 22.907 1.00 53.13 H new ATOM 0 HZ2 LYS A 21 -1.431 6.064 23.621 1.00 53.13 H new ATOM 0 HZ3 LYS A 21 -2.114 7.441 24.344 1.00 53.13 H new ATOM 325 N LEU A 22 3.563 12.309 22.557 1.00 51.11 N ATOM 326 CA LEU A 22 4.903 12.849 22.352 1.00 34.14 C ATOM 327 C LEU A 22 4.966 14.317 22.761 1.00 42.24 C ATOM 328 O LEU A 22 5.930 14.757 23.389 1.00 63.04 O ATOM 329 CB LEU A 22 5.317 12.696 20.888 1.00 42.41 C ATOM 330 CG LEU A 22 6.518 13.530 20.440 1.00 3.00 C ATOM 331 CD1 LEU A 22 7.437 12.707 19.550 1.00 52.52 C ATOM 332 CD2 LEU A 22 6.056 14.786 19.716 1.00 14.13 C ATOM 0 H LEU A 22 3.104 11.987 21.705 1.00 51.11 H new ATOM 0 HA LEU A 22 5.595 12.287 22.979 1.00 34.14 H new ATOM 0 HB2 LEU A 22 5.540 11.645 20.702 1.00 42.41 H new ATOM 0 HB3 LEU A 22 4.465 12.957 20.261 1.00 42.41 H new ATOM 0 HG LEU A 22 7.077 13.831 21.326 1.00 3.00 H new ATOM 0 HD11 LEU A 22 8.286 13.317 19.241 1.00 52.52 H new ATOM 0 HD12 LEU A 22 7.796 11.838 20.102 1.00 52.52 H new ATOM 0 HD13 LEU A 22 6.888 12.375 18.668 1.00 52.52 H new ATOM 0 HD21 LEU A 22 6.924 15.367 19.405 1.00 14.13 H new ATOM 0 HD22 LEU A 22 5.473 14.506 18.839 1.00 14.13 H new ATOM 0 HD23 LEU A 22 5.439 15.386 20.385 1.00 14.13 H new ATOM 344 N LEU A 23 3.933 15.071 22.402 1.00 73.22 N ATOM 345 CA LEU A 23 3.869 16.490 22.733 1.00 44.24 C ATOM 346 C LEU A 23 4.048 16.708 24.232 1.00 43.54 C ATOM 347 O LEU A 23 4.587 17.729 24.661 1.00 53.25 O ATOM 348 CB LEU A 23 2.535 17.082 22.275 1.00 31.42 C ATOM 349 CG LEU A 23 2.433 17.440 20.792 1.00 13.33 C ATOM 350 CD1 LEU A 23 1.021 17.198 20.281 1.00 63.15 C ATOM 351 CD2 LEU A 23 2.844 18.888 20.564 1.00 35.32 C ATOM 0 H LEU A 23 3.128 14.723 21.881 1.00 73.22 H new ATOM 0 HA LEU A 23 4.681 16.996 22.211 1.00 44.24 H new ATOM 0 HB2 LEU A 23 1.744 16.370 22.511 1.00 31.42 H new ATOM 0 HB3 LEU A 23 2.340 17.981 22.859 1.00 31.42 H new ATOM 0 HG LEU A 23 3.114 16.797 20.234 1.00 13.33 H new ATOM 0 HD11 LEU A 23 0.967 17.458 19.224 1.00 63.15 H new ATOM 0 HD12 LEU A 23 0.763 16.147 20.410 1.00 63.15 H new ATOM 0 HD13 LEU A 23 0.320 17.815 20.843 1.00 63.15 H new ATOM 0 HD21 LEU A 23 2.765 19.126 19.503 1.00 35.32 H new ATOM 0 HD22 LEU A 23 2.188 19.546 21.133 1.00 35.32 H new ATOM 0 HD23 LEU A 23 3.874 19.030 20.892 1.00 35.32 H new ATOM 363 N ASP A 24 3.595 15.742 25.023 1.00 43.40 N ATOM 364 CA ASP A 24 3.708 15.827 26.474 1.00 1.14 C ATOM 365 C ASP A 24 5.168 15.751 26.911 1.00 33.44 C ATOM 366 O ASP A 24 5.548 16.307 27.942 1.00 3.23 O ATOM 367 CB ASP A 24 2.905 14.706 27.136 1.00 23.10 C ATOM 368 CG ASP A 24 2.170 15.174 28.376 1.00 10.42 C ATOM 369 OD1 ASP A 24 1.583 16.276 28.338 1.00 53.24 O ATOM 370 OD2 ASP A 24 2.181 14.439 29.385 1.00 11.12 O ATOM 0 H ASP A 24 3.146 14.891 24.684 1.00 43.40 H new ATOM 0 HA ASP A 24 3.303 16.788 26.790 1.00 1.14 H new ATOM 0 HB2 ASP A 24 2.186 14.307 26.420 1.00 23.10 H new ATOM 0 HB3 ASP A 24 3.577 13.890 27.402 1.00 23.10 H new ATOM 375 N LEU A 25 5.981 15.057 26.122 1.00 54.30 N ATOM 376 CA LEU A 25 7.399 14.907 26.427 1.00 21.35 C ATOM 377 C LEU A 25 8.057 16.266 26.641 1.00 65.11 C ATOM 378 O LEU A 25 8.742 16.486 27.640 1.00 12.13 O ATOM 379 CB LEU A 25 8.107 14.156 25.298 1.00 22.14 C ATOM 380 CG LEU A 25 9.300 13.293 25.711 1.00 3.10 C ATOM 381 CD1 LEU A 25 10.397 14.154 26.318 1.00 43.35 C ATOM 382 CD2 LEU A 25 8.864 12.213 26.691 1.00 43.52 C ATOM 0 H LEU A 25 5.682 14.589 25.266 1.00 54.30 H new ATOM 0 HA LEU A 25 7.488 14.332 27.349 1.00 21.35 H new ATOM 0 HB2 LEU A 25 7.377 13.518 24.800 1.00 22.14 H new ATOM 0 HB3 LEU A 25 8.448 14.884 24.562 1.00 22.14 H new ATOM 0 HG LEU A 25 9.698 12.808 24.820 1.00 3.10 H new ATOM 0 HD11 LEU A 25 11.238 13.523 26.606 1.00 43.35 H new ATOM 0 HD12 LEU A 25 10.730 14.889 25.585 1.00 43.35 H new ATOM 0 HD13 LEU A 25 10.011 14.668 27.198 1.00 43.35 H new ATOM 0 HD21 LEU A 25 9.726 11.609 26.974 1.00 43.52 H new ATOM 0 HD22 LEU A 25 8.440 12.679 27.581 1.00 43.52 H new ATOM 0 HD23 LEU A 25 8.114 11.577 26.221 1.00 43.52 H new ATOM 394 N VAL A 26 7.844 17.176 25.696 1.00 63.04 N ATOM 395 CA VAL A 26 8.414 18.515 25.781 1.00 2.34 C ATOM 396 C VAL A 26 8.098 19.162 27.125 1.00 22.14 C ATOM 397 O VAL A 26 8.996 19.629 27.826 1.00 34.32 O ATOM 398 CB VAL A 26 7.890 19.422 24.652 1.00 73.30 C ATOM 399 CG1 VAL A 26 8.473 20.821 24.776 1.00 63.04 C ATOM 400 CG2 VAL A 26 8.212 18.819 23.293 1.00 54.12 C ATOM 0 H VAL A 26 7.280 17.010 24.862 1.00 63.04 H new ATOM 0 HA VAL A 26 9.494 18.406 25.677 1.00 2.34 H new ATOM 0 HB VAL A 26 6.806 19.498 24.743 1.00 73.30 H new ATOM 0 HG11 VAL A 26 8.091 21.447 23.970 1.00 63.04 H new ATOM 0 HG12 VAL A 26 8.187 21.251 25.736 1.00 63.04 H new ATOM 0 HG13 VAL A 26 9.560 20.769 24.712 1.00 63.04 H new ATOM 0 HG21 VAL A 26 7.835 19.472 22.506 1.00 54.12 H new ATOM 0 HG22 VAL A 26 9.292 18.712 23.189 1.00 54.12 H new ATOM 0 HG23 VAL A 26 7.741 17.840 23.208 1.00 54.12 H new ATOM 410 N GLN A 27 6.817 19.185 27.478 1.00 30.21 N ATOM 411 CA GLN A 27 6.383 19.775 28.739 1.00 73.21 C ATOM 412 C GLN A 27 6.999 19.040 29.925 1.00 73.44 C ATOM 413 O GLN A 27 7.241 19.632 30.975 1.00 5.34 O ATOM 414 CB GLN A 27 4.857 19.744 28.842 1.00 52.54 C ATOM 415 CG GLN A 27 4.279 20.889 29.659 1.00 23.52 C ATOM 416 CD GLN A 27 3.038 21.488 29.029 1.00 73.22 C ATOM 417 OE1 GLN A 27 2.200 20.773 28.478 1.00 63.34 O ATOM 418 NE2 GLN A 27 2.912 22.807 29.107 1.00 51.43 N ATOM 0 H GLN A 27 6.062 18.802 26.909 1.00 30.21 H new ATOM 0 HA GLN A 27 6.721 20.811 28.762 1.00 73.21 H new ATOM 0 HB2 GLN A 27 4.433 19.774 27.838 1.00 52.54 H new ATOM 0 HB3 GLN A 27 4.550 18.798 29.289 1.00 52.54 H new ATOM 0 HG2 GLN A 27 4.037 20.530 30.659 1.00 23.52 H new ATOM 0 HG3 GLN A 27 5.035 21.666 29.773 1.00 23.52 H new ATOM 0 HE21 GLN A 27 3.630 23.361 29.573 1.00 51.43 H new ATOM 0 HE22 GLN A 27 2.097 23.266 28.701 1.00 51.43 H new ATOM 427 N GLN A 28 7.248 17.746 29.748 1.00 43.21 N ATOM 428 CA GLN A 28 7.835 16.931 30.805 1.00 70.55 C ATOM 429 C GLN A 28 9.322 17.230 30.961 1.00 62.10 C ATOM 430 O GLN A 28 9.871 17.141 32.059 1.00 22.01 O ATOM 431 CB GLN A 28 7.631 15.445 30.504 1.00 74.32 C ATOM 432 CG GLN A 28 6.170 15.025 30.475 1.00 52.10 C ATOM 433 CD GLN A 28 5.784 14.172 31.667 1.00 21.30 C ATOM 434 OE1 GLN A 28 5.395 13.013 31.516 1.00 55.42 O ATOM 435 NE2 GLN A 28 5.891 14.741 32.862 1.00 32.41 N ATOM 0 H GLN A 28 7.053 17.240 28.884 1.00 43.21 H new ATOM 0 HA GLN A 28 7.333 17.178 31.741 1.00 70.55 H new ATOM 0 HB2 GLN A 28 8.087 15.212 29.542 1.00 74.32 H new ATOM 0 HB3 GLN A 28 8.155 14.855 31.256 1.00 74.32 H new ATOM 0 HG2 GLN A 28 5.541 15.915 30.451 1.00 52.10 H new ATOM 0 HG3 GLN A 28 5.974 14.470 29.557 1.00 52.10 H new ATOM 0 HE21 GLN A 28 6.218 15.704 32.941 1.00 32.41 H new ATOM 0 HE22 GLN A 28 5.646 14.215 33.701 1.00 32.41 H new ATOM 444 N SER A 29 9.969 17.585 29.855 1.00 30.32 N ATOM 445 CA SER A 29 11.394 17.893 29.869 1.00 41.21 C ATOM 446 C SER A 29 11.659 19.204 30.604 1.00 62.42 C ATOM 447 O SER A 29 12.492 19.263 31.509 1.00 65.12 O ATOM 448 CB SER A 29 11.933 17.979 28.439 1.00 34.14 C ATOM 449 OG SER A 29 13.330 18.216 28.434 1.00 32.32 O ATOM 0 H SER A 29 9.529 17.666 28.938 1.00 30.32 H new ATOM 0 HA SER A 29 11.909 17.090 30.396 1.00 41.21 H new ATOM 0 HB2 SER A 29 11.716 17.051 27.909 1.00 34.14 H new ATOM 0 HB3 SER A 29 11.423 18.779 27.902 1.00 34.14 H new ATOM 0 HG SER A 29 13.511 19.111 28.790 1.00 32.32 H new ATOM 455 N CYS A 30 10.945 20.251 30.208 1.00 41.31 N ATOM 456 CA CYS A 30 11.103 21.562 30.828 1.00 53.35 C ATOM 457 C CYS A 30 10.694 21.522 32.297 1.00 44.05 C ATOM 458 O CYS A 30 11.182 22.308 33.108 1.00 34.30 O ATOM 459 CB CYS A 30 10.269 22.605 30.082 1.00 13.33 C ATOM 460 SG CYS A 30 8.483 22.378 30.248 1.00 14.24 S ATOM 0 H CYS A 30 10.251 20.218 29.461 1.00 41.31 H new ATOM 0 HA CYS A 30 12.155 21.840 30.771 1.00 53.35 H new ATOM 0 HB2 CYS A 30 10.534 23.597 30.449 1.00 13.33 H new ATOM 0 HB3 CYS A 30 10.531 22.576 29.024 1.00 13.33 H new ATOM 0 HG CYS A 30 8.235 21.169 30.657 1.00 14.24 H new ATOM 466 N ASN A 31 9.796 20.602 32.630 1.00 35.34 N ATOM 467 CA ASN A 31 9.319 20.460 34.002 1.00 45.43 C ATOM 468 C ASN A 31 10.445 20.002 34.924 1.00 61.32 C ATOM 469 O ASN A 31 10.425 20.269 36.126 1.00 71.44 O ATOM 470 CB ASN A 31 8.159 19.465 34.061 1.00 61.13 C ATOM 471 CG ASN A 31 7.554 19.364 35.448 1.00 62.33 C ATOM 472 OD1 ASN A 31 7.426 20.363 36.156 1.00 64.34 O ATOM 473 ND2 ASN A 31 7.179 18.153 35.842 1.00 34.42 N ATOM 0 H ASN A 31 9.383 19.943 31.970 1.00 35.34 H new ATOM 0 HA ASN A 31 8.969 21.435 34.341 1.00 45.43 H new ATOM 0 HB2 ASN A 31 7.388 19.768 33.352 1.00 61.13 H new ATOM 0 HB3 ASN A 31 8.511 18.482 33.749 1.00 61.13 H new ATOM 0 HD21 ASN A 31 6.766 18.022 36.765 1.00 34.42 H new ATOM 0 HD22 ASN A 31 7.304 17.353 35.221 1.00 34.42 H new ATOM 480 N TYR A 32 11.426 19.311 34.353 1.00 53.12 N ATOM 481 CA TYR A 32 12.559 18.814 35.123 1.00 22.41 C ATOM 482 C TYR A 32 13.751 19.760 35.012 1.00 70.44 C ATOM 483 O TYR A 32 14.902 19.349 35.163 1.00 13.04 O ATOM 484 CB TYR A 32 12.956 17.417 34.642 1.00 31.21 C ATOM 485 CG TYR A 32 13.178 16.430 35.766 1.00 60.12 C ATOM 486 CD1 TYR A 32 14.327 16.482 36.545 1.00 23.12 C ATOM 487 CD2 TYR A 32 12.240 15.445 36.048 1.00 74.13 C ATOM 488 CE1 TYR A 32 14.535 15.582 37.573 1.00 70.15 C ATOM 489 CE2 TYR A 32 12.438 14.542 37.074 1.00 63.21 C ATOM 490 CZ TYR A 32 13.587 14.614 37.833 1.00 4.12 C ATOM 491 OH TYR A 32 13.790 13.715 38.855 1.00 13.45 O ATOM 0 H TYR A 32 11.459 19.083 33.359 1.00 53.12 H new ATOM 0 HA TYR A 32 12.258 18.759 36.169 1.00 22.41 H new ATOM 0 HB2 TYR A 32 12.177 17.034 33.982 1.00 31.21 H new ATOM 0 HB3 TYR A 32 13.868 17.491 34.050 1.00 31.21 H new ATOM 0 HD1 TYR A 32 15.071 17.239 36.344 1.00 23.12 H new ATOM 0 HD2 TYR A 32 11.340 15.384 35.454 1.00 74.13 H new ATOM 0 HE1 TYR A 32 15.434 15.636 38.169 1.00 70.15 H new ATOM 0 HE2 TYR A 32 11.697 13.784 37.281 1.00 63.21 H new ATOM 0 HH TYR A 32 12.947 13.262 39.065 1.00 13.45 H new ATOM 501 N LYS A 33 13.467 21.030 34.746 1.00 75.04 N ATOM 502 CA LYS A 33 14.512 22.038 34.615 1.00 23.40 C ATOM 503 C LYS A 33 15.496 21.661 33.512 1.00 23.42 C ATOM 504 O LYS A 33 16.690 21.945 33.610 1.00 73.02 O ATOM 505 CB LYS A 33 15.256 22.205 35.942 1.00 65.22 C ATOM 506 CG LYS A 33 15.447 23.654 36.354 1.00 44.35 C ATOM 507 CD LYS A 33 16.796 24.189 35.903 1.00 43.14 C ATOM 508 CE LYS A 33 16.646 25.465 35.089 1.00 41.31 C ATOM 509 NZ LYS A 33 16.509 25.182 33.633 1.00 4.23 N ATOM 0 H LYS A 33 12.520 21.386 34.617 1.00 75.04 H new ATOM 0 HA LYS A 33 14.040 22.983 34.348 1.00 23.40 H new ATOM 0 HB2 LYS A 33 14.706 21.683 36.725 1.00 65.22 H new ATOM 0 HB3 LYS A 33 16.232 21.726 35.864 1.00 65.22 H new ATOM 0 HG2 LYS A 33 14.651 24.263 35.925 1.00 44.35 H new ATOM 0 HG3 LYS A 33 15.365 23.739 37.438 1.00 44.35 H new ATOM 0 HD2 LYS A 33 17.421 24.384 36.774 1.00 43.14 H new ATOM 0 HD3 LYS A 33 17.307 23.434 35.306 1.00 43.14 H new ATOM 0 HE2 LYS A 33 15.772 26.016 35.436 1.00 41.31 H new ATOM 0 HE3 LYS A 33 17.513 26.105 35.254 1.00 41.31 H new ATOM 0 HZ1 LYS A 33 17.286 25.640 33.116 1.00 4.23 H new ATOM 0 HZ2 LYS A 33 16.545 24.155 33.474 1.00 4.23 H new ATOM 0 HZ3 LYS A 33 15.600 25.554 33.291 1.00 4.23 H new ATOM 523 N GLN A 34 14.987 21.021 32.464 1.00 22.02 N ATOM 524 CA GLN A 34 15.822 20.607 31.343 1.00 23.42 C ATOM 525 C GLN A 34 15.136 20.903 30.014 1.00 35.30 C ATOM 526 O GLN A 34 13.949 20.623 29.840 1.00 33.54 O ATOM 527 CB GLN A 34 16.144 19.114 31.443 1.00 14.44 C ATOM 528 CG GLN A 34 17.266 18.798 32.419 1.00 73.22 C ATOM 529 CD GLN A 34 17.658 17.334 32.402 1.00 63.34 C ATOM 530 OE1 GLN A 34 18.842 16.997 32.381 1.00 25.31 O ATOM 531 NE2 GLN A 34 16.664 16.454 32.410 1.00 32.31 N ATOM 0 H GLN A 34 14.001 20.778 32.368 1.00 22.02 H new ATOM 0 HA GLN A 34 16.751 21.176 31.386 1.00 23.42 H new ATOM 0 HB2 GLN A 34 15.246 18.577 31.748 1.00 14.44 H new ATOM 0 HB3 GLN A 34 16.417 18.743 30.455 1.00 14.44 H new ATOM 0 HG2 GLN A 34 18.137 19.406 32.175 1.00 73.22 H new ATOM 0 HG3 GLN A 34 16.955 19.076 33.426 1.00 73.22 H new ATOM 0 HE21 GLN A 34 15.697 16.777 32.428 1.00 32.31 H new ATOM 0 HE22 GLN A 34 16.868 15.455 32.399 1.00 32.31 H new ATOM 540 N LEU A 35 15.888 21.471 29.079 1.00 64.14 N ATOM 541 CA LEU A 35 15.352 21.806 27.764 1.00 61.21 C ATOM 542 C LEU A 35 16.471 22.191 26.801 1.00 11.24 C ATOM 543 O LEU A 35 17.563 22.572 27.224 1.00 52.01 O ATOM 544 CB LEU A 35 14.345 22.952 27.879 1.00 64.12 C ATOM 545 CG LEU A 35 14.689 24.048 28.888 1.00 35.02 C ATOM 546 CD1 LEU A 35 15.905 24.836 28.428 1.00 52.15 C ATOM 547 CD2 LEU A 35 13.498 24.973 29.096 1.00 44.31 C ATOM 0 H LEU A 35 16.871 21.710 29.206 1.00 64.14 H new ATOM 0 HA LEU A 35 14.847 20.924 27.370 1.00 61.21 H new ATOM 0 HB2 LEU A 35 14.234 23.412 26.897 1.00 64.12 H new ATOM 0 HB3 LEU A 35 13.375 22.532 28.146 1.00 64.12 H new ATOM 0 HG LEU A 35 14.928 23.576 29.841 1.00 35.02 H new ATOM 0 HD11 LEU A 35 16.134 25.611 29.159 1.00 52.15 H new ATOM 0 HD12 LEU A 35 16.758 24.165 28.331 1.00 52.15 H new ATOM 0 HD13 LEU A 35 15.696 25.298 27.463 1.00 52.15 H new ATOM 0 HD21 LEU A 35 13.760 25.747 29.817 1.00 44.31 H new ATOM 0 HD22 LEU A 35 13.228 25.437 28.147 1.00 44.31 H new ATOM 0 HD23 LEU A 35 12.652 24.398 29.473 1.00 44.31 H new ATOM 559 N ARG A 36 16.191 22.091 25.506 1.00 13.52 N ATOM 560 CA ARG A 36 17.173 22.430 24.484 1.00 41.44 C ATOM 561 C ARG A 36 16.486 22.819 23.178 1.00 64.05 C ATOM 562 O ARG A 36 15.903 21.976 22.495 1.00 1.23 O ATOM 563 CB ARG A 36 18.119 21.252 24.244 1.00 12.12 C ATOM 564 CG ARG A 36 19.565 21.549 24.605 1.00 61.10 C ATOM 565 CD ARG A 36 20.374 21.948 23.381 1.00 61.44 C ATOM 566 NE ARG A 36 21.355 22.986 23.687 1.00 72.42 N ATOM 567 CZ ARG A 36 21.044 24.268 23.840 1.00 41.04 C ATOM 568 NH1 ARG A 36 19.786 24.668 23.716 1.00 41.12 N ATOM 569 NH2 ARG A 36 21.993 25.153 24.117 1.00 12.25 N ATOM 0 H ARG A 36 15.292 21.778 25.140 1.00 13.52 H new ATOM 0 HA ARG A 36 17.750 23.284 24.839 1.00 41.44 H new ATOM 0 HB2 ARG A 36 17.776 20.397 24.827 1.00 12.12 H new ATOM 0 HB3 ARG A 36 18.067 20.964 23.194 1.00 12.12 H new ATOM 0 HG2 ARG A 36 19.600 22.351 25.343 1.00 61.10 H new ATOM 0 HG3 ARG A 36 20.013 20.670 25.068 1.00 61.10 H new ATOM 0 HD2 ARG A 36 20.886 21.072 22.983 1.00 61.44 H new ATOM 0 HD3 ARG A 36 19.700 22.304 22.602 1.00 61.44 H new ATOM 0 HE ARG A 36 22.332 22.711 23.789 1.00 72.42 H new ATOM 0 HH11 ARG A 36 19.054 23.990 23.503 1.00 41.12 H new ATOM 0 HH12 ARG A 36 19.550 25.653 23.834 1.00 41.12 H new ATOM 0 HH21 ARG A 36 22.962 24.849 24.212 1.00 12.25 H new ATOM 0 HH22 ARG A 36 21.754 26.138 24.234 1.00 12.25 H new ATOM 583 N LYS A 37 16.559 24.101 22.835 1.00 23.24 N ATOM 584 CA LYS A 37 15.946 24.603 21.611 1.00 21.53 C ATOM 585 C LYS A 37 16.980 25.296 20.730 1.00 52.13 C ATOM 586 O LYS A 37 17.128 26.517 20.773 1.00 21.51 O ATOM 587 CB LYS A 37 14.812 25.574 21.946 1.00 74.42 C ATOM 588 CG LYS A 37 13.840 25.040 22.984 1.00 22.42 C ATOM 589 CD LYS A 37 14.229 25.474 24.387 1.00 3.23 C ATOM 590 CE LYS A 37 13.772 26.895 24.678 1.00 54.33 C ATOM 591 NZ LYS A 37 12.806 26.947 25.810 1.00 21.52 N ATOM 0 H LYS A 37 17.037 24.812 23.388 1.00 23.24 H new ATOM 0 HA LYS A 37 15.538 23.754 21.063 1.00 21.53 H new ATOM 0 HB2 LYS A 37 15.240 26.508 22.309 1.00 74.42 H new ATOM 0 HB3 LYS A 37 14.264 25.808 21.033 1.00 74.42 H new ATOM 0 HG2 LYS A 37 12.834 25.394 22.758 1.00 22.42 H new ATOM 0 HG3 LYS A 37 13.813 23.952 22.933 1.00 22.42 H new ATOM 0 HD2 LYS A 37 13.788 24.793 25.115 1.00 3.23 H new ATOM 0 HD3 LYS A 37 15.311 25.408 24.503 1.00 3.23 H new ATOM 0 HE2 LYS A 37 14.638 27.514 24.911 1.00 54.33 H new ATOM 0 HE3 LYS A 37 13.309 27.317 23.786 1.00 54.33 H new ATOM 0 HZ1 LYS A 37 12.188 27.776 25.701 1.00 21.52 H new ATOM 0 HZ2 LYS A 37 12.228 26.083 25.813 1.00 21.52 H new ATOM 0 HZ3 LYS A 37 13.326 27.018 26.708 1.00 21.52 H new ATOM 605 N GLY A 38 17.692 24.509 19.929 1.00 72.13 N ATOM 606 CA GLY A 38 18.701 25.066 19.047 1.00 21.22 C ATOM 607 C GLY A 38 19.278 24.032 18.100 1.00 1.24 C ATOM 608 O GLY A 38 19.749 22.980 18.532 1.00 44.45 O ATOM 0 H GLY A 38 17.588 23.496 19.875 1.00 72.13 H new ATOM 0 HA2 GLY A 38 18.264 25.880 18.469 1.00 21.22 H new ATOM 0 HA3 GLY A 38 19.505 25.495 19.645 1.00 21.22 H new ATOM 612 N ALA A 39 19.240 24.331 16.806 1.00 73.00 N ATOM 613 CA ALA A 39 19.763 23.420 15.796 1.00 61.22 C ATOM 614 C ALA A 39 21.283 23.323 15.879 1.00 74.34 C ATOM 615 O ALA A 39 21.837 22.234 16.022 1.00 4.24 O ATOM 616 CB ALA A 39 19.336 23.870 14.407 1.00 51.13 C ATOM 0 H ALA A 39 18.852 25.197 16.432 1.00 73.00 H new ATOM 0 HA ALA A 39 19.351 22.429 15.987 1.00 61.22 H new ATOM 0 HB1 ALA A 39 19.734 23.180 13.663 1.00 51.13 H new ATOM 0 HB2 ALA A 39 18.248 23.881 14.347 1.00 51.13 H new ATOM 0 HB3 ALA A 39 19.720 24.872 14.215 1.00 51.13 H new ATOM 622 N ASN A 40 21.950 24.468 15.786 1.00 41.30 N ATOM 623 CA ASN A 40 23.406 24.512 15.849 1.00 25.41 C ATOM 624 C ASN A 40 23.896 24.288 17.277 1.00 70.44 C ATOM 625 O ASN A 40 25.011 23.814 17.493 1.00 33.33 O ATOM 626 CB ASN A 40 23.921 25.855 15.327 1.00 73.45 C ATOM 627 CG ASN A 40 25.354 25.774 14.838 1.00 1.41 C ATOM 628 OD1 ASN A 40 26.101 24.872 15.217 1.00 60.14 O ATOM 629 ND2 ASN A 40 25.745 26.721 13.993 1.00 52.12 N ATOM 0 H ASN A 40 21.505 25.378 15.667 1.00 41.30 H new ATOM 0 HA ASN A 40 23.795 23.712 15.220 1.00 25.41 H new ATOM 0 HB2 ASN A 40 23.281 26.195 14.513 1.00 73.45 H new ATOM 0 HB3 ASN A 40 23.852 26.600 16.119 1.00 73.45 H new ATOM 0 HD21 ASN A 40 26.699 26.720 13.631 1.00 52.12 H new ATOM 0 HD22 ASN A 40 25.092 27.450 13.706 1.00 52.12 H new ATOM 636 N GLU A 41 23.054 24.631 18.246 1.00 11.41 N ATOM 637 CA GLU A 41 23.402 24.468 19.653 1.00 74.23 C ATOM 638 C GLU A 41 23.417 22.992 20.041 1.00 3.22 C ATOM 639 O GLU A 41 24.144 22.586 20.947 1.00 24.30 O ATOM 640 CB GLU A 41 22.412 25.229 20.538 1.00 61.15 C ATOM 641 CG GLU A 41 22.302 26.705 20.197 1.00 53.55 C ATOM 642 CD GLU A 41 23.418 27.530 20.807 1.00 43.23 C ATOM 643 OE1 GLU A 41 24.598 27.188 20.586 1.00 65.40 O ATOM 644 OE2 GLU A 41 23.111 28.519 21.505 1.00 30.02 O ATOM 0 H GLU A 41 22.127 25.023 18.083 1.00 11.41 H new ATOM 0 HA GLU A 41 24.401 24.877 19.804 1.00 74.23 H new ATOM 0 HB2 GLU A 41 21.428 24.769 20.447 1.00 61.15 H new ATOM 0 HB3 GLU A 41 22.716 25.127 21.580 1.00 61.15 H new ATOM 0 HG2 GLU A 41 22.317 26.826 19.114 1.00 53.55 H new ATOM 0 HG3 GLU A 41 21.342 27.084 20.547 1.00 53.55 H new ATOM 651 N ALA A 42 22.609 22.196 19.349 1.00 23.43 N ATOM 652 CA ALA A 42 22.531 20.766 19.620 1.00 32.51 C ATOM 653 C ALA A 42 23.914 20.124 19.590 1.00 1.54 C ATOM 654 O ALA A 42 24.161 19.124 20.265 1.00 44.21 O ATOM 655 CB ALA A 42 21.611 20.088 18.615 1.00 22.21 C ATOM 0 H ALA A 42 21.999 22.517 18.597 1.00 23.43 H new ATOM 0 HA ALA A 42 22.120 20.634 20.621 1.00 32.51 H new ATOM 0 HB1 ALA A 42 21.562 19.020 18.829 1.00 22.21 H new ATOM 0 HB2 ALA A 42 20.612 20.519 18.688 1.00 22.21 H new ATOM 0 HB3 ALA A 42 21.999 20.239 17.607 1.00 22.21 H new ATOM 661 N THR A 43 24.814 20.706 18.804 1.00 42.05 N ATOM 662 CA THR A 43 26.172 20.190 18.684 1.00 1.33 C ATOM 663 C THR A 43 26.849 20.104 20.047 1.00 2.43 C ATOM 664 O THR A 43 27.765 19.306 20.248 1.00 12.24 O ATOM 665 CB THR A 43 27.027 21.070 17.753 1.00 4.23 C ATOM 666 OG1 THR A 43 27.068 22.413 18.249 1.00 24.14 O ATOM 667 CG2 THR A 43 26.469 21.064 16.338 1.00 34.25 C ATOM 0 H THR A 43 24.627 21.535 18.241 1.00 42.05 H new ATOM 0 HA THR A 43 26.094 19.191 18.256 1.00 1.33 H new ATOM 0 HB THR A 43 28.037 20.660 17.730 1.00 4.23 H new ATOM 0 HG1 THR A 43 26.507 22.987 17.686 1.00 24.14 H new ATOM 0 HG21 THR A 43 27.090 21.692 15.699 1.00 34.25 H new ATOM 0 HG22 THR A 43 26.467 20.045 15.952 1.00 34.25 H new ATOM 0 HG23 THR A 43 25.450 21.451 16.347 1.00 34.25 H new ATOM 675 N LYS A 44 26.393 20.931 20.982 1.00 3.04 N ATOM 676 CA LYS A 44 26.953 20.948 22.328 1.00 24.15 C ATOM 677 C LYS A 44 26.472 19.745 23.133 1.00 23.32 C ATOM 678 O LYS A 44 27.273 19.014 23.717 1.00 4.23 O ATOM 679 CB LYS A 44 26.568 22.243 23.047 1.00 31.23 C ATOM 680 CG LYS A 44 27.493 23.408 22.740 1.00 74.24 C ATOM 681 CD LYS A 44 28.849 23.233 23.401 1.00 22.23 C ATOM 682 CE LYS A 44 29.962 23.842 22.562 1.00 54.21 C ATOM 683 NZ LYS A 44 30.517 22.866 21.584 1.00 55.13 N ATOM 0 H LYS A 44 25.637 21.599 20.832 1.00 3.04 H new ATOM 0 HA LYS A 44 28.038 20.896 22.243 1.00 24.15 H new ATOM 0 HB2 LYS A 44 25.550 22.515 22.768 1.00 31.23 H new ATOM 0 HB3 LYS A 44 26.567 22.065 24.122 1.00 31.23 H new ATOM 0 HG2 LYS A 44 27.622 23.497 21.661 1.00 74.24 H new ATOM 0 HG3 LYS A 44 27.037 24.336 23.084 1.00 74.24 H new ATOM 0 HD2 LYS A 44 28.838 23.700 24.386 1.00 22.23 H new ATOM 0 HD3 LYS A 44 29.046 22.172 23.554 1.00 22.23 H new ATOM 0 HE2 LYS A 44 29.580 24.713 22.029 1.00 54.21 H new ATOM 0 HE3 LYS A 44 30.759 24.193 23.217 1.00 54.21 H new ATOM 0 HZ1 LYS A 44 31.273 23.319 21.032 1.00 55.13 H new ATOM 0 HZ2 LYS A 44 30.905 22.046 22.093 1.00 55.13 H new ATOM 0 HZ3 LYS A 44 29.762 22.550 20.943 1.00 55.13 H new ATOM 697 N THR A 45 25.158 19.543 23.159 1.00 65.41 N ATOM 698 CA THR A 45 24.571 18.428 23.891 1.00 31.03 C ATOM 699 C THR A 45 25.175 17.100 23.449 1.00 0.12 C ATOM 700 O THR A 45 25.732 16.359 24.260 1.00 30.03 O ATOM 701 CB THR A 45 23.043 18.373 23.700 1.00 4.01 C ATOM 702 OG1 THR A 45 22.696 18.847 22.394 1.00 12.45 O ATOM 703 CG2 THR A 45 22.336 19.210 24.755 1.00 54.44 C ATOM 0 H THR A 45 24.481 20.137 22.681 1.00 65.41 H new ATOM 0 HA THR A 45 24.793 18.591 24.946 1.00 31.03 H new ATOM 0 HB THR A 45 22.722 17.337 23.807 1.00 4.01 H new ATOM 0 HG1 THR A 45 23.451 18.708 21.784 1.00 12.45 H new ATOM 0 HG21 THR A 45 21.258 19.156 24.600 1.00 54.44 H new ATOM 0 HG22 THR A 45 22.580 18.828 25.746 1.00 54.44 H new ATOM 0 HG23 THR A 45 22.662 20.247 24.676 1.00 54.44 H new ATOM 711 N LEU A 46 25.063 16.805 22.159 1.00 74.20 N ATOM 712 CA LEU A 46 25.599 15.565 21.608 1.00 20.03 C ATOM 713 C LEU A 46 27.081 15.420 21.937 1.00 64.31 C ATOM 714 O LEU A 46 27.588 14.309 22.086 1.00 62.33 O ATOM 715 CB LEU A 46 25.395 15.527 20.093 1.00 72.42 C ATOM 716 CG LEU A 46 23.944 15.556 19.610 1.00 22.50 C ATOM 717 CD1 LEU A 46 23.766 16.597 18.516 1.00 3.13 C ATOM 718 CD2 LEU A 46 23.520 14.181 19.114 1.00 34.12 C ATOM 0 H LEU A 46 24.606 17.407 21.475 1.00 74.20 H new ATOM 0 HA LEU A 46 25.062 14.732 22.061 1.00 20.03 H new ATOM 0 HB2 LEU A 46 25.920 16.376 19.654 1.00 72.42 H new ATOM 0 HB3 LEU A 46 25.868 14.625 19.705 1.00 72.42 H new ATOM 0 HG LEU A 46 23.307 15.830 20.451 1.00 22.50 H new ATOM 0 HD11 LEU A 46 22.727 16.603 18.185 1.00 3.13 H new ATOM 0 HD12 LEU A 46 24.029 17.581 18.904 1.00 3.13 H new ATOM 0 HD13 LEU A 46 24.414 16.354 17.674 1.00 3.13 H new ATOM 0 HD21 LEU A 46 22.485 14.220 18.774 1.00 34.12 H new ATOM 0 HD22 LEU A 46 24.162 13.879 18.287 1.00 34.12 H new ATOM 0 HD23 LEU A 46 23.609 13.458 19.925 1.00 34.12 H new ATOM 730 N ASN A 47 27.771 16.550 22.051 1.00 54.43 N ATOM 731 CA ASN A 47 29.195 16.549 22.364 1.00 40.13 C ATOM 732 C ASN A 47 29.424 16.331 23.856 1.00 11.23 C ATOM 733 O ASN A 47 30.472 15.833 24.268 1.00 51.42 O ATOM 734 CB ASN A 47 29.836 17.867 21.925 1.00 0.42 C ATOM 735 CG ASN A 47 30.340 17.818 20.496 1.00 74.04 C ATOM 736 OD1 ASN A 47 29.577 17.552 19.566 1.00 25.11 O ATOM 737 ND2 ASN A 47 31.630 18.075 20.314 1.00 72.43 N ATOM 0 H ASN A 47 27.367 17.479 21.931 1.00 54.43 H new ATOM 0 HA ASN A 47 29.661 15.727 21.820 1.00 40.13 H new ATOM 0 HB2 ASN A 47 29.108 18.672 22.023 1.00 0.42 H new ATOM 0 HB3 ASN A 47 30.665 18.104 22.592 1.00 0.42 H new ATOM 0 HD21 ASN A 47 32.026 18.057 19.374 1.00 72.43 H new ATOM 0 HD22 ASN A 47 32.225 18.291 21.114 1.00 72.43 H new ATOM 744 N ARG A 48 28.436 16.707 24.662 1.00 51.02 N ATOM 745 CA ARG A 48 28.529 16.553 26.109 1.00 44.44 C ATOM 746 C ARG A 48 28.261 15.109 26.520 1.00 22.24 C ATOM 747 O ARG A 48 28.710 14.659 27.574 1.00 11.41 O ATOM 748 CB ARG A 48 27.538 17.486 26.807 1.00 4.40 C ATOM 749 CG ARG A 48 28.198 18.667 27.501 1.00 64.14 C ATOM 750 CD ARG A 48 27.168 19.667 28.001 1.00 74.25 C ATOM 751 NE ARG A 48 27.466 20.131 29.353 1.00 61.13 N ATOM 752 CZ ARG A 48 27.289 19.389 30.440 1.00 14.12 C ATOM 753 NH1 ARG A 48 26.817 18.154 30.335 1.00 42.41 N ATOM 754 NH2 ARG A 48 27.584 19.882 31.636 1.00 34.04 N ATOM 0 H ARG A 48 27.562 17.120 24.337 1.00 51.02 H new ATOM 0 HA ARG A 48 29.542 16.817 26.413 1.00 44.44 H new ATOM 0 HB2 ARG A 48 26.825 17.860 26.072 1.00 4.40 H new ATOM 0 HB3 ARG A 48 26.970 16.915 27.541 1.00 4.40 H new ATOM 0 HG2 ARG A 48 28.796 18.310 28.339 1.00 64.14 H new ATOM 0 HG3 ARG A 48 28.881 19.161 26.810 1.00 64.14 H new ATOM 0 HD2 ARG A 48 27.134 20.521 27.324 1.00 74.25 H new ATOM 0 HD3 ARG A 48 26.180 19.208 27.985 1.00 74.25 H new ATOM 0 HE ARG A 48 27.830 21.077 29.469 1.00 61.13 H new ATOM 0 HH11 ARG A 48 26.589 17.772 29.417 1.00 42.41 H new ATOM 0 HH12 ARG A 48 26.682 17.587 31.172 1.00 42.41 H new ATOM 0 HH21 ARG A 48 27.947 20.831 31.721 1.00 34.04 H new ATOM 0 HH22 ARG A 48 27.448 19.312 32.471 1.00 34.04 H new ATOM 768 N GLY A 49 27.525 14.386 25.681 1.00 3.31 N ATOM 769 CA GLY A 49 27.209 13.001 25.976 1.00 64.24 C ATOM 770 C GLY A 49 25.896 12.851 26.717 1.00 21.34 C ATOM 771 O GLY A 49 25.800 12.080 27.673 1.00 61.00 O ATOM 0 H GLY A 49 27.142 14.735 24.802 1.00 3.31 H new ATOM 0 HA2 GLY A 49 27.164 12.436 25.045 1.00 64.24 H new ATOM 0 HA3 GLY A 49 28.011 12.568 26.573 1.00 64.24 H new ATOM 775 N ILE A 50 24.883 13.589 26.278 1.00 13.55 N ATOM 776 CA ILE A 50 23.569 13.535 26.908 1.00 23.12 C ATOM 777 C ILE A 50 22.457 13.667 25.873 1.00 44.10 C ATOM 778 O ILE A 50 21.303 13.922 26.216 1.00 60.11 O ATOM 779 CB ILE A 50 23.405 14.643 27.965 1.00 24.24 C ATOM 780 CG1 ILE A 50 23.659 16.016 27.340 1.00 4.03 C ATOM 781 CG2 ILE A 50 24.350 14.404 29.134 1.00 71.32 C ATOM 782 CD1 ILE A 50 22.431 16.627 26.704 1.00 74.34 C ATOM 0 H ILE A 50 24.946 14.232 25.488 1.00 13.55 H new ATOM 0 HA ILE A 50 23.494 12.564 27.397 1.00 23.12 H new ATOM 0 HB ILE A 50 22.382 14.619 28.339 1.00 24.24 H new ATOM 0 HG12 ILE A 50 24.035 16.692 28.108 1.00 4.03 H new ATOM 0 HG13 ILE A 50 24.441 15.924 26.586 1.00 4.03 H new ATOM 0 HG21 ILE A 50 24.222 15.195 29.873 1.00 71.32 H new ATOM 0 HG22 ILE A 50 24.126 13.441 29.592 1.00 71.32 H new ATOM 0 HG23 ILE A 50 25.379 14.405 28.776 1.00 71.32 H new ATOM 0 HD11 ILE A 50 22.686 17.599 26.281 1.00 74.34 H new ATOM 0 HD12 ILE A 50 22.067 15.972 25.913 1.00 74.34 H new ATOM 0 HD13 ILE A 50 21.654 16.751 27.458 1.00 74.34 H new ATOM 794 N SER A 51 22.813 13.490 24.605 1.00 42.45 N ATOM 795 CA SER A 51 21.846 13.592 23.518 1.00 30.10 C ATOM 796 C SER A 51 21.218 12.233 23.221 1.00 44.53 C ATOM 797 O SER A 51 21.725 11.471 22.398 1.00 11.13 O ATOM 798 CB SER A 51 22.518 14.143 22.259 1.00 73.33 C ATOM 799 OG SER A 51 21.564 14.399 21.243 1.00 51.44 O ATOM 0 H SER A 51 23.764 13.275 24.305 1.00 42.45 H new ATOM 0 HA SER A 51 21.057 14.277 23.829 1.00 30.10 H new ATOM 0 HB2 SER A 51 23.052 15.062 22.501 1.00 73.33 H new ATOM 0 HB3 SER A 51 23.258 13.430 21.896 1.00 73.33 H new ATOM 0 HG SER A 51 21.353 15.356 21.226 1.00 51.44 H new ATOM 805 N GLU A 52 20.112 11.939 23.897 1.00 63.22 N ATOM 806 CA GLU A 52 19.416 10.672 23.706 1.00 51.00 C ATOM 807 C GLU A 52 18.107 10.879 22.949 1.00 1.20 C ATOM 808 O GLU A 52 17.615 9.972 22.277 1.00 44.41 O ATOM 809 CB GLU A 52 19.137 10.009 25.057 1.00 41.33 C ATOM 810 CG GLU A 52 19.518 8.539 25.103 1.00 12.14 C ATOM 811 CD GLU A 52 20.340 8.188 26.328 1.00 12.04 C ATOM 812 OE1 GLU A 52 19.749 8.060 27.422 1.00 44.45 O ATOM 813 OE2 GLU A 52 21.573 8.041 26.194 1.00 15.23 O ATOM 0 H GLU A 52 19.679 12.560 24.581 1.00 63.22 H new ATOM 0 HA GLU A 52 20.059 10.020 23.115 1.00 51.00 H new ATOM 0 HB2 GLU A 52 19.685 10.542 25.834 1.00 41.33 H new ATOM 0 HB3 GLU A 52 18.077 10.108 25.289 1.00 41.33 H new ATOM 0 HG2 GLU A 52 18.613 7.932 25.091 1.00 12.14 H new ATOM 0 HG3 GLU A 52 20.083 8.286 24.206 1.00 12.14 H new ATOM 820 N PHE A 53 17.548 12.079 23.064 1.00 52.22 N ATOM 821 CA PHE A 53 16.295 12.406 22.392 1.00 3.32 C ATOM 822 C PHE A 53 16.474 13.600 21.459 1.00 43.02 C ATOM 823 O PHE A 53 17.132 14.581 21.808 1.00 64.35 O ATOM 824 CB PHE A 53 15.204 12.708 23.421 1.00 10.23 C ATOM 825 CG PHE A 53 13.992 11.832 23.284 1.00 31.23 C ATOM 826 CD1 PHE A 53 14.068 10.475 23.553 1.00 63.55 C ATOM 827 CD2 PHE A 53 12.776 12.365 22.888 1.00 42.11 C ATOM 828 CE1 PHE A 53 12.955 9.666 23.426 1.00 34.25 C ATOM 829 CE2 PHE A 53 11.659 11.561 22.760 1.00 11.35 C ATOM 830 CZ PHE A 53 11.748 10.210 23.031 1.00 2.02 C ATOM 0 H PHE A 53 17.942 12.841 23.616 1.00 52.22 H new ATOM 0 HA PHE A 53 15.995 11.544 21.797 1.00 3.32 H new ATOM 0 HB2 PHE A 53 15.617 12.589 24.423 1.00 10.23 H new ATOM 0 HB3 PHE A 53 14.902 13.751 23.323 1.00 10.23 H new ATOM 0 HD1 PHE A 53 15.008 10.045 23.866 1.00 63.55 H new ATOM 0 HD2 PHE A 53 12.700 13.421 22.677 1.00 42.11 H new ATOM 0 HE1 PHE A 53 13.029 8.609 23.635 1.00 34.25 H new ATOM 0 HE2 PHE A 53 10.718 11.989 22.448 1.00 11.35 H new ATOM 0 HZ PHE A 53 10.876 9.580 22.934 1.00 2.02 H new ATOM 840 N ILE A 54 15.885 13.509 20.272 1.00 73.33 N ATOM 841 CA ILE A 54 15.978 14.581 19.288 1.00 23.53 C ATOM 842 C ILE A 54 14.621 14.864 18.653 1.00 63.31 C ATOM 843 O ILE A 54 13.955 13.956 18.156 1.00 72.31 O ATOM 844 CB ILE A 54 16.991 14.240 18.179 1.00 11.00 C ATOM 845 CG1 ILE A 54 18.325 13.807 18.791 1.00 14.03 C ATOM 846 CG2 ILE A 54 17.188 15.434 17.257 1.00 71.00 C ATOM 847 CD1 ILE A 54 18.998 14.892 19.602 1.00 11.12 C ATOM 0 H ILE A 54 15.338 12.704 19.968 1.00 73.33 H new ATOM 0 HA ILE A 54 16.319 15.469 19.820 1.00 23.53 H new ATOM 0 HB ILE A 54 16.597 13.411 17.590 1.00 11.00 H new ATOM 0 HG12 ILE A 54 18.158 12.939 19.428 1.00 14.03 H new ATOM 0 HG13 ILE A 54 18.997 13.492 17.992 1.00 14.03 H new ATOM 0 HG21 ILE A 54 17.907 15.178 16.478 1.00 71.00 H new ATOM 0 HG22 ILE A 54 16.236 15.701 16.798 1.00 71.00 H new ATOM 0 HG23 ILE A 54 17.563 16.280 17.833 1.00 71.00 H new ATOM 0 HD11 ILE A 54 19.938 14.515 20.005 1.00 11.12 H new ATOM 0 HD12 ILE A 54 19.197 15.753 18.964 1.00 11.12 H new ATOM 0 HD13 ILE A 54 18.345 15.191 20.422 1.00 11.12 H new ATOM 859 N VAL A 55 14.218 16.130 18.671 1.00 42.20 N ATOM 860 CA VAL A 55 12.942 16.535 18.094 1.00 73.41 C ATOM 861 C VAL A 55 13.133 17.626 17.047 1.00 40.10 C ATOM 862 O VAL A 55 13.952 18.528 17.219 1.00 11.51 O ATOM 863 CB VAL A 55 11.972 17.042 19.177 1.00 34.04 C ATOM 864 CG1 VAL A 55 10.657 17.483 18.553 1.00 74.12 C ATOM 865 CG2 VAL A 55 11.738 15.967 20.229 1.00 42.45 C ATOM 0 H VAL A 55 14.757 16.894 19.079 1.00 42.20 H new ATOM 0 HA VAL A 55 12.515 15.651 17.619 1.00 73.41 H new ATOM 0 HB VAL A 55 12.422 17.906 19.667 1.00 34.04 H new ATOM 0 HG11 VAL A 55 9.985 17.838 19.334 1.00 74.12 H new ATOM 0 HG12 VAL A 55 10.844 18.287 17.842 1.00 74.12 H new ATOM 0 HG13 VAL A 55 10.199 16.640 18.036 1.00 74.12 H new ATOM 0 HG21 VAL A 55 11.050 16.343 20.986 1.00 42.45 H new ATOM 0 HG22 VAL A 55 11.310 15.083 19.757 1.00 42.45 H new ATOM 0 HG23 VAL A 55 12.686 15.705 20.698 1.00 42.45 H new ATOM 875 N MET A 56 12.371 17.537 15.962 1.00 43.34 N ATOM 876 CA MET A 56 12.456 18.519 14.887 1.00 51.14 C ATOM 877 C MET A 56 11.225 18.449 13.988 1.00 65.32 C ATOM 878 O MET A 56 10.444 17.501 14.063 1.00 63.23 O ATOM 879 CB MET A 56 13.721 18.291 14.057 1.00 3.44 C ATOM 880 CG MET A 56 13.832 16.885 13.491 1.00 10.03 C ATOM 881 SD MET A 56 15.509 16.229 13.583 1.00 41.42 S ATOM 882 CE MET A 56 15.585 15.280 12.066 1.00 51.32 C ATOM 0 H MET A 56 11.688 16.796 15.804 1.00 43.34 H new ATOM 0 HA MET A 56 12.500 19.511 15.338 1.00 51.14 H new ATOM 0 HB2 MET A 56 13.740 19.007 13.235 1.00 3.44 H new ATOM 0 HB3 MET A 56 14.594 18.494 14.677 1.00 3.44 H new ATOM 0 HG2 MET A 56 13.157 16.224 14.035 1.00 10.03 H new ATOM 0 HG3 MET A 56 13.504 16.889 12.451 1.00 10.03 H new ATOM 0 HE1 MET A 56 16.538 14.754 12.013 1.00 51.32 H new ATOM 0 HE2 MET A 56 14.770 14.556 12.048 1.00 51.32 H new ATOM 0 HE3 MET A 56 15.493 15.951 11.212 1.00 51.32 H new ATOM 892 N ALA A 57 11.060 19.458 13.139 1.00 35.12 N ATOM 893 CA ALA A 57 9.925 19.509 12.225 1.00 21.33 C ATOM 894 C ALA A 57 10.339 19.107 10.814 1.00 40.44 C ATOM 895 O ALA A 57 11.458 19.383 10.383 1.00 65.30 O ATOM 896 CB ALA A 57 9.312 20.901 12.222 1.00 42.31 C ATOM 0 H ALA A 57 11.697 20.251 13.065 1.00 35.12 H new ATOM 0 HA ALA A 57 9.177 18.796 12.573 1.00 21.33 H new ATOM 0 HB1 ALA A 57 8.466 20.924 11.535 1.00 42.31 H new ATOM 0 HB2 ALA A 57 8.971 21.151 13.227 1.00 42.31 H new ATOM 0 HB3 ALA A 57 10.059 21.627 11.902 1.00 42.31 H new ATOM 902 N ALA A 58 9.429 18.455 10.098 1.00 31.21 N ATOM 903 CA ALA A 58 9.700 18.017 8.734 1.00 35.24 C ATOM 904 C ALA A 58 10.005 19.204 7.827 1.00 73.30 C ATOM 905 O ALA A 58 10.881 19.130 6.966 1.00 65.41 O ATOM 906 CB ALA A 58 8.520 17.224 8.191 1.00 61.01 C ATOM 0 H ALA A 58 8.498 18.218 10.440 1.00 31.21 H new ATOM 0 HA ALA A 58 10.579 17.373 8.753 1.00 35.24 H new ATOM 0 HB1 ALA A 58 8.735 16.903 7.172 1.00 61.01 H new ATOM 0 HB2 ALA A 58 8.350 16.349 8.819 1.00 61.01 H new ATOM 0 HB3 ALA A 58 7.628 17.851 8.193 1.00 61.01 H new ATOM 912 N ASP A 59 9.276 20.297 8.025 1.00 31.51 N ATOM 913 CA ASP A 59 9.469 21.500 7.224 1.00 22.04 C ATOM 914 C ASP A 59 10.252 22.551 8.004 1.00 3.53 C ATOM 915 O ASP A 59 10.010 23.750 7.865 1.00 31.12 O ATOM 916 CB ASP A 59 8.119 22.071 6.789 1.00 73.10 C ATOM 917 CG ASP A 59 7.381 21.150 5.837 1.00 51.42 C ATOM 918 OD1 ASP A 59 8.018 20.642 4.891 1.00 53.34 O ATOM 919 OD2 ASP A 59 6.166 20.939 6.037 1.00 23.34 O ATOM 0 H ASP A 59 8.546 20.375 8.733 1.00 31.51 H new ATOM 0 HA ASP A 59 10.042 21.229 6.337 1.00 22.04 H new ATOM 0 HB2 ASP A 59 7.502 22.249 7.670 1.00 73.10 H new ATOM 0 HB3 ASP A 59 8.274 23.037 6.308 1.00 73.10 H new ATOM 924 N ALA A 60 11.192 22.094 8.826 1.00 74.23 N ATOM 925 CA ALA A 60 12.011 22.995 9.627 1.00 73.31 C ATOM 926 C ALA A 60 13.365 23.237 8.969 1.00 30.30 C ATOM 927 O ALA A 60 14.027 22.298 8.529 1.00 25.31 O ATOM 928 CB ALA A 60 12.196 22.434 11.029 1.00 74.50 C ATOM 0 H ALA A 60 11.405 21.105 8.954 1.00 74.23 H new ATOM 0 HA ALA A 60 11.494 23.952 9.696 1.00 73.31 H new ATOM 0 HB1 ALA A 60 12.810 23.117 11.616 1.00 74.50 H new ATOM 0 HB2 ALA A 60 11.223 22.319 11.506 1.00 74.50 H new ATOM 0 HB3 ALA A 60 12.688 21.463 10.970 1.00 74.50 H new ATOM 934 N GLU A 61 13.769 24.501 8.905 1.00 3.51 N ATOM 935 CA GLU A 61 15.045 24.865 8.299 1.00 55.42 C ATOM 936 C GLU A 61 15.871 25.729 9.247 1.00 11.32 C ATOM 937 O GLU A 61 15.356 26.324 10.194 1.00 35.43 O ATOM 938 CB GLU A 61 14.815 25.610 6.982 1.00 15.43 C ATOM 939 CG GLU A 61 14.830 24.707 5.761 1.00 70.22 C ATOM 940 CD GLU A 61 14.251 25.379 4.531 1.00 71.51 C ATOM 941 OE1 GLU A 61 14.380 26.615 4.415 1.00 42.41 O ATOM 942 OE2 GLU A 61 13.669 24.668 3.685 1.00 54.30 O ATOM 0 H GLU A 61 13.232 25.290 9.265 1.00 3.51 H new ATOM 0 HA GLU A 61 15.597 23.947 8.098 1.00 55.42 H new ATOM 0 HB2 GLU A 61 13.856 26.127 7.029 1.00 15.43 H new ATOM 0 HB3 GLU A 61 15.584 26.374 6.868 1.00 15.43 H new ATOM 0 HG2 GLU A 61 15.855 24.399 5.554 1.00 70.22 H new ATOM 0 HG3 GLU A 61 14.263 23.801 5.977 1.00 70.22 H new ATOM 949 N PRO A 62 17.185 25.801 8.988 1.00 0.01 N ATOM 950 CA PRO A 62 17.810 25.098 7.864 1.00 72.40 C ATOM 951 C PRO A 62 17.832 23.586 8.066 1.00 5.43 C ATOM 952 O PRO A 62 17.957 23.102 9.192 1.00 4.20 O ATOM 953 CB PRO A 62 19.235 25.656 7.844 1.00 31.11 C ATOM 954 CG PRO A 62 19.487 26.100 9.244 1.00 64.15 C ATOM 955 CD PRO A 62 18.162 26.574 9.773 1.00 22.11 C ATOM 0 HA PRO A 62 17.265 25.252 6.933 1.00 72.40 H new ATOM 0 HB2 PRO A 62 19.953 24.897 7.534 1.00 31.11 H new ATOM 0 HB3 PRO A 62 19.326 26.486 7.143 1.00 31.11 H new ATOM 0 HG2 PRO A 62 19.878 25.282 9.848 1.00 64.15 H new ATOM 0 HG3 PRO A 62 20.227 26.900 9.273 1.00 64.15 H new ATOM 0 HD2 PRO A 62 18.063 26.380 10.841 1.00 22.11 H new ATOM 0 HD3 PRO A 62 18.033 27.647 9.631 1.00 22.11 H new ATOM 963 N LEU A 63 17.712 22.846 6.970 1.00 34.32 N ATOM 964 CA LEU A 63 17.719 21.388 7.027 1.00 31.03 C ATOM 965 C LEU A 63 19.146 20.851 7.057 1.00 3.31 C ATOM 966 O LEU A 63 19.403 19.774 7.594 1.00 40.24 O ATOM 967 CB LEU A 63 16.968 20.807 5.827 1.00 5.25 C ATOM 968 CG LEU A 63 16.073 19.602 6.115 1.00 33.14 C ATOM 969 CD1 LEU A 63 16.851 18.521 6.849 1.00 4.33 C ATOM 970 CD2 LEU A 63 14.853 20.024 6.922 1.00 4.20 C ATOM 0 H LEU A 63 17.609 23.231 6.031 1.00 34.32 H new ATOM 0 HA LEU A 63 17.216 21.083 7.945 1.00 31.03 H new ATOM 0 HB2 LEU A 63 16.353 21.595 5.392 1.00 5.25 H new ATOM 0 HB3 LEU A 63 17.699 20.519 5.071 1.00 5.25 H new ATOM 0 HG LEU A 63 15.732 19.193 5.164 1.00 33.14 H new ATOM 0 HD11 LEU A 63 16.197 17.671 7.045 1.00 4.33 H new ATOM 0 HD12 LEU A 63 17.692 18.198 6.235 1.00 4.33 H new ATOM 0 HD13 LEU A 63 17.223 18.918 7.794 1.00 4.33 H new ATOM 0 HD21 LEU A 63 14.227 19.153 7.118 1.00 4.20 H new ATOM 0 HD22 LEU A 63 15.175 20.459 7.868 1.00 4.20 H new ATOM 0 HD23 LEU A 63 14.282 20.762 6.359 1.00 4.20 H new ATOM 982 N GLU A 64 20.071 21.611 6.479 1.00 41.33 N ATOM 983 CA GLU A 64 21.473 21.212 6.441 1.00 71.33 C ATOM 984 C GLU A 64 22.021 21.015 7.851 1.00 1.32 C ATOM 985 O GLU A 64 22.703 20.029 8.131 1.00 1.05 O ATOM 986 CB GLU A 64 22.305 22.260 5.700 1.00 43.24 C ATOM 987 CG GLU A 64 22.718 21.833 4.301 1.00 33.41 C ATOM 988 CD GLU A 64 23.955 22.559 3.810 1.00 53.20 C ATOM 989 OE1 GLU A 64 24.215 23.680 4.295 1.00 50.44 O ATOM 990 OE2 GLU A 64 24.662 22.007 2.941 1.00 10.34 O ATOM 0 H GLU A 64 19.875 22.506 6.031 1.00 41.33 H new ATOM 0 HA GLU A 64 21.540 20.263 5.908 1.00 71.33 H new ATOM 0 HB2 GLU A 64 21.733 23.185 5.634 1.00 43.24 H new ATOM 0 HB3 GLU A 64 23.200 22.479 6.283 1.00 43.24 H new ATOM 0 HG2 GLU A 64 22.905 20.759 4.293 1.00 33.41 H new ATOM 0 HG3 GLU A 64 21.895 22.018 3.611 1.00 33.41 H new ATOM 997 N ILE A 65 21.719 21.961 8.734 1.00 35.11 N ATOM 998 CA ILE A 65 22.180 21.892 10.115 1.00 61.00 C ATOM 999 C ILE A 65 21.602 20.674 10.828 1.00 64.25 C ATOM 1000 O ILE A 65 22.235 20.105 11.718 1.00 10.30 O ATOM 1001 CB ILE A 65 21.798 23.161 10.900 1.00 25.22 C ATOM 1002 CG1 ILE A 65 22.470 24.390 10.283 1.00 33.35 C ATOM 1003 CG2 ILE A 65 22.189 23.016 12.363 1.00 31.44 C ATOM 1004 CD1 ILE A 65 22.134 25.682 10.994 1.00 3.05 C ATOM 0 H ILE A 65 21.157 22.784 8.517 1.00 35.11 H new ATOM 0 HA ILE A 65 23.266 21.808 10.081 1.00 61.00 H new ATOM 0 HB ILE A 65 20.718 23.294 10.844 1.00 25.22 H new ATOM 0 HG12 ILE A 65 23.551 24.248 10.296 1.00 33.35 H new ATOM 0 HG13 ILE A 65 22.171 24.471 9.238 1.00 33.35 H new ATOM 0 HG21 ILE A 65 21.913 23.921 12.905 1.00 31.44 H new ATOM 0 HG22 ILE A 65 21.669 22.161 12.795 1.00 31.44 H new ATOM 0 HG23 ILE A 65 23.265 22.862 12.438 1.00 31.44 H new ATOM 0 HD11 ILE A 65 22.644 26.511 10.503 1.00 3.05 H new ATOM 0 HD12 ILE A 65 21.057 25.847 10.959 1.00 3.05 H new ATOM 0 HD13 ILE A 65 22.458 25.620 12.033 1.00 3.05 H new ATOM 1016 N ILE A 66 20.399 20.277 10.428 1.00 13.54 N ATOM 1017 CA ILE A 66 19.737 19.125 11.027 1.00 61.32 C ATOM 1018 C ILE A 66 20.580 17.864 10.868 1.00 33.31 C ATOM 1019 O ILE A 66 20.450 16.915 11.643 1.00 11.34 O ATOM 1020 CB ILE A 66 18.350 18.884 10.401 1.00 4.05 C ATOM 1021 CG1 ILE A 66 17.498 20.152 10.493 1.00 24.45 C ATOM 1022 CG2 ILE A 66 17.654 17.720 11.090 1.00 72.10 C ATOM 1023 CD1 ILE A 66 17.146 20.541 11.912 1.00 73.00 C ATOM 0 H ILE A 66 19.863 20.736 9.692 1.00 13.54 H new ATOM 0 HA ILE A 66 19.614 19.347 12.087 1.00 61.32 H new ATOM 0 HB ILE A 66 18.481 18.632 9.348 1.00 4.05 H new ATOM 0 HG12 ILE A 66 18.034 20.975 10.021 1.00 24.45 H new ATOM 0 HG13 ILE A 66 16.579 20.004 9.926 1.00 24.45 H new ATOM 0 HG21 ILE A 66 16.675 17.562 10.637 1.00 72.10 H new ATOM 0 HG22 ILE A 66 18.256 16.818 10.978 1.00 72.10 H new ATOM 0 HG23 ILE A 66 17.531 17.945 12.149 1.00 72.10 H new ATOM 0 HD11 ILE A 66 16.542 21.448 11.901 1.00 73.00 H new ATOM 0 HD12 ILE A 66 16.582 19.735 12.381 1.00 73.00 H new ATOM 0 HD13 ILE A 66 18.060 20.721 12.477 1.00 73.00 H new ATOM 1035 N LEU A 67 21.445 17.860 9.860 1.00 12.00 N ATOM 1036 CA LEU A 67 22.312 16.716 9.600 1.00 73.21 C ATOM 1037 C LEU A 67 23.607 16.822 10.398 1.00 63.31 C ATOM 1038 O LEU A 67 24.382 15.867 10.474 1.00 52.32 O ATOM 1039 CB LEU A 67 22.626 16.618 8.106 1.00 11.30 C ATOM 1040 CG LEU A 67 22.244 15.304 7.424 1.00 11.02 C ATOM 1041 CD1 LEU A 67 20.773 15.311 7.037 1.00 44.43 C ATOM 1042 CD2 LEU A 67 23.118 15.063 6.202 1.00 2.42 C ATOM 0 H LEU A 67 21.565 18.636 9.209 1.00 12.00 H new ATOM 0 HA LEU A 67 21.786 15.814 9.914 1.00 73.21 H new ATOM 0 HB2 LEU A 67 22.114 17.432 7.593 1.00 11.30 H new ATOM 0 HB3 LEU A 67 23.695 16.778 7.969 1.00 11.30 H new ATOM 0 HG LEU A 67 22.409 14.490 8.130 1.00 11.02 H new ATOM 0 HD11 LEU A 67 20.520 14.368 6.553 1.00 44.43 H new ATOM 0 HD12 LEU A 67 20.162 15.436 7.931 1.00 44.43 H new ATOM 0 HD13 LEU A 67 20.582 16.135 6.349 1.00 44.43 H new ATOM 0 HD21 LEU A 67 22.832 14.123 5.730 1.00 2.42 H new ATOM 0 HD22 LEU A 67 22.986 15.881 5.493 1.00 2.42 H new ATOM 0 HD23 LEU A 67 24.163 15.012 6.507 1.00 2.42 H new ATOM 1054 N HIS A 68 23.836 17.988 10.993 1.00 31.14 N ATOM 1055 CA HIS A 68 25.037 18.218 11.789 1.00 72.23 C ATOM 1056 C HIS A 68 24.925 17.539 13.151 1.00 54.53 C ATOM 1057 O HIS A 68 25.933 17.244 13.794 1.00 53.21 O ATOM 1058 CB HIS A 68 25.274 19.717 11.971 1.00 43.23 C ATOM 1059 CG HIS A 68 26.700 20.066 12.270 1.00 71.22 C ATOM 1060 ND1 HIS A 68 27.063 21.008 13.209 1.00 41.14 N ATOM 1061 CD2 HIS A 68 27.855 19.591 11.749 1.00 65.10 C ATOM 1062 CE1 HIS A 68 28.380 21.099 13.251 1.00 4.02 C ATOM 1063 NE2 HIS A 68 28.885 20.249 12.375 1.00 2.03 N ATOM 0 H HIS A 68 23.206 18.788 10.939 1.00 31.14 H new ATOM 0 HA HIS A 68 25.884 17.786 11.256 1.00 72.23 H new ATOM 0 HB2 HIS A 68 24.963 20.238 11.066 1.00 43.23 H new ATOM 0 HB3 HIS A 68 24.642 20.081 12.781 1.00 43.23 H new ATOM 0 HD2 HIS A 68 27.949 18.835 10.983 1.00 65.10 H new ATOM 0 HE1 HIS A 68 28.948 21.757 13.893 1.00 4.02 H new ATOM 0 HE2 HIS A 68 29.878 20.105 12.193 1.00 2.03 H new ATOM 1071 N LEU A 69 23.693 17.296 13.585 1.00 20.10 N ATOM 1072 CA LEU A 69 23.449 16.653 14.872 1.00 74.15 C ATOM 1073 C LEU A 69 24.274 15.377 15.008 1.00 14.32 C ATOM 1074 O LEU A 69 25.097 15.235 15.912 1.00 1.23 O ATOM 1075 CB LEU A 69 21.961 16.331 15.029 1.00 44.32 C ATOM 1076 CG LEU A 69 21.152 17.304 15.887 1.00 75.20 C ATOM 1077 CD1 LEU A 69 19.987 17.874 15.092 1.00 1.54 C ATOM 1078 CD2 LEU A 69 20.652 16.614 17.148 1.00 72.42 C ATOM 0 H LEU A 69 22.848 17.534 13.065 1.00 20.10 H new ATOM 0 HA LEU A 69 23.750 17.344 15.659 1.00 74.15 H new ATOM 0 HB2 LEU A 69 21.511 16.292 14.037 1.00 44.32 H new ATOM 0 HB3 LEU A 69 21.869 15.334 15.460 1.00 44.32 H new ATOM 0 HG LEU A 69 21.803 18.127 16.181 1.00 75.20 H new ATOM 0 HD11 LEU A 69 19.422 18.564 15.718 1.00 1.54 H new ATOM 0 HD12 LEU A 69 20.367 18.404 14.219 1.00 1.54 H new ATOM 0 HD13 LEU A 69 19.336 17.062 14.768 1.00 1.54 H new ATOM 0 HD21 LEU A 69 20.078 17.321 17.747 1.00 72.42 H new ATOM 0 HD22 LEU A 69 20.017 15.771 16.874 1.00 72.42 H new ATOM 0 HD23 LEU A 69 21.502 16.254 17.727 1.00 72.42 H new ATOM 1090 N PRO A 70 24.051 14.427 14.088 1.00 32.35 N ATOM 1091 CA PRO A 70 24.766 13.147 14.083 1.00 12.04 C ATOM 1092 C PRO A 70 26.235 13.305 13.706 1.00 13.22 C ATOM 1093 O PRO A 70 26.632 14.316 13.124 1.00 34.22 O ATOM 1094 CB PRO A 70 24.026 12.331 13.020 1.00 14.43 C ATOM 1095 CG PRO A 70 23.423 13.349 12.114 1.00 62.42 C ATOM 1096 CD PRO A 70 23.084 14.528 12.982 1.00 10.24 C ATOM 0 HA PRO A 70 24.774 12.681 15.068 1.00 12.04 H new ATOM 0 HB2 PRO A 70 24.707 11.674 12.480 1.00 14.43 H new ATOM 0 HB3 PRO A 70 23.261 11.697 13.469 1.00 14.43 H new ATOM 0 HG2 PRO A 70 24.121 13.632 11.326 1.00 62.42 H new ATOM 0 HG3 PRO A 70 22.532 12.956 11.624 1.00 62.42 H new ATOM 0 HD2 PRO A 70 23.189 15.468 12.441 1.00 10.24 H new ATOM 0 HD3 PRO A 70 22.056 14.480 13.341 1.00 10.24 H new ATOM 1232 N PRO A 79 19.093 9.148 16.219 1.00 62.12 N ATOM 1233 CA PRO A 79 17.688 9.257 16.622 1.00 40.53 C ATOM 1234 C PRO A 79 17.089 10.615 16.272 1.00 52.41 C ATOM 1235 O PRO A 79 17.722 11.653 16.468 1.00 14.13 O ATOM 1236 CB PRO A 79 17.739 9.071 18.140 1.00 32.41 C ATOM 1237 CG PRO A 79 19.113 9.496 18.528 1.00 32.43 C ATOM 1238 CD PRO A 79 20.003 9.121 17.376 1.00 23.11 C ATOM 0 HA PRO A 79 17.059 8.528 16.110 1.00 40.53 H new ATOM 0 HB2 PRO A 79 16.982 9.676 18.639 1.00 32.41 H new ATOM 0 HB3 PRO A 79 17.552 8.034 18.418 1.00 32.41 H new ATOM 0 HG2 PRO A 79 19.151 10.569 18.717 1.00 32.43 H new ATOM 0 HG3 PRO A 79 19.431 8.999 19.445 1.00 32.43 H new ATOM 0 HD2 PRO A 79 20.825 9.827 17.257 1.00 23.11 H new ATOM 0 HD3 PRO A 79 20.447 8.135 17.515 1.00 23.11 H new ATOM 1246 N TYR A 80 15.866 10.601 15.753 1.00 10.24 N ATOM 1247 CA TYR A 80 15.182 11.832 15.374 1.00 22.13 C ATOM 1248 C TYR A 80 13.680 11.601 15.239 1.00 43.14 C ATOM 1249 O TYR A 80 13.186 10.499 15.474 1.00 32.42 O ATOM 1250 CB TYR A 80 15.748 12.370 14.059 1.00 73.11 C ATOM 1251 CG TYR A 80 15.679 11.378 12.920 1.00 51.24 C ATOM 1252 CD1 TYR A 80 14.472 11.092 12.294 1.00 35.00 C ATOM 1253 CD2 TYR A 80 16.820 10.727 12.469 1.00 24.23 C ATOM 1254 CE1 TYR A 80 14.404 10.186 11.253 1.00 15.12 C ATOM 1255 CE2 TYR A 80 16.762 9.821 11.428 1.00 20.33 C ATOM 1256 CZ TYR A 80 15.551 9.554 10.824 1.00 64.54 C ATOM 1257 OH TYR A 80 15.489 8.650 9.787 1.00 11.52 O ATOM 0 H TYR A 80 15.328 9.751 15.585 1.00 10.24 H new ATOM 0 HA TYR A 80 15.348 12.568 16.161 1.00 22.13 H new ATOM 0 HB2 TYR A 80 15.201 13.271 13.779 1.00 73.11 H new ATOM 0 HB3 TYR A 80 16.787 12.662 14.213 1.00 73.11 H new ATOM 0 HD1 TYR A 80 13.571 11.586 12.627 1.00 35.00 H new ATOM 0 HD2 TYR A 80 17.770 10.933 12.941 1.00 24.23 H new ATOM 0 HE1 TYR A 80 13.457 9.974 10.778 1.00 15.12 H new ATOM 0 HE2 TYR A 80 17.659 9.325 11.089 1.00 20.33 H new ATOM 0 HH TYR A 80 16.385 8.296 9.608 1.00 11.52 H new ATOM 1267 N VAL A 81 12.959 12.650 14.856 1.00 41.20 N ATOM 1268 CA VAL A 81 11.514 12.563 14.686 1.00 14.44 C ATOM 1269 C VAL A 81 10.955 13.841 14.069 1.00 21.41 C ATOM 1270 O VAL A 81 11.316 14.947 14.471 1.00 22.23 O ATOM 1271 CB VAL A 81 10.806 12.303 16.029 1.00 14.02 C ATOM 1272 CG1 VAL A 81 11.149 13.392 17.034 1.00 11.11 C ATOM 1273 CG2 VAL A 81 9.301 12.207 15.828 1.00 52.12 C ATOM 0 H VAL A 81 13.352 13.570 14.658 1.00 41.20 H new ATOM 0 HA VAL A 81 11.324 11.725 14.015 1.00 14.44 H new ATOM 0 HB VAL A 81 11.158 11.351 16.427 1.00 14.02 H new ATOM 0 HG11 VAL A 81 10.640 13.191 17.976 1.00 11.11 H new ATOM 0 HG12 VAL A 81 12.226 13.408 17.200 1.00 11.11 H new ATOM 0 HG13 VAL A 81 10.827 14.359 16.647 1.00 11.11 H new ATOM 0 HG21 VAL A 81 8.817 12.023 16.787 1.00 52.12 H new ATOM 0 HG22 VAL A 81 8.930 13.142 15.407 1.00 52.12 H new ATOM 0 HG23 VAL A 81 9.077 11.387 15.145 1.00 52.12 H new ATOM 1283 N PHE A 82 10.071 13.680 13.090 1.00 43.53 N ATOM 1284 CA PHE A 82 9.462 14.821 12.415 1.00 3.14 C ATOM 1285 C PHE A 82 8.011 15.000 12.853 1.00 44.23 C ATOM 1286 O PHE A 82 7.270 14.028 12.995 1.00 14.13 O ATOM 1287 CB PHE A 82 9.531 14.639 10.898 1.00 53.53 C ATOM 1288 CG PHE A 82 10.931 14.657 10.354 1.00 12.33 C ATOM 1289 CD1 PHE A 82 11.779 15.720 10.622 1.00 34.13 C ATOM 1290 CD2 PHE A 82 11.399 13.612 9.575 1.00 30.30 C ATOM 1291 CE1 PHE A 82 13.068 15.739 10.124 1.00 12.41 C ATOM 1292 CE2 PHE A 82 12.687 13.625 9.075 1.00 42.45 C ATOM 1293 CZ PHE A 82 13.522 14.691 9.348 1.00 2.13 C ATOM 0 H PHE A 82 9.760 12.771 12.746 1.00 43.53 H new ATOM 0 HA PHE A 82 10.019 15.716 12.692 1.00 3.14 H new ATOM 0 HB2 PHE A 82 9.059 13.693 10.632 1.00 53.53 H new ATOM 0 HB3 PHE A 82 8.954 15.430 10.419 1.00 53.53 H new ATOM 0 HD1 PHE A 82 11.428 16.543 11.227 1.00 34.13 H new ATOM 0 HD2 PHE A 82 10.750 12.777 9.356 1.00 30.30 H new ATOM 0 HE1 PHE A 82 13.719 16.573 10.342 1.00 12.41 H new ATOM 0 HE2 PHE A 82 13.041 12.802 8.471 1.00 42.45 H new ATOM 0 HZ PHE A 82 14.528 14.705 8.955 1.00 2.13 H new ATOM 1303 N VAL A 83 7.614 16.251 13.065 1.00 75.34 N ATOM 1304 CA VAL A 83 6.252 16.559 13.485 1.00 31.11 C ATOM 1305 C VAL A 83 5.600 17.565 12.543 1.00 4.23 C ATOM 1306 O VAL A 83 6.248 18.501 12.074 1.00 0.21 O ATOM 1307 CB VAL A 83 6.221 17.120 14.919 1.00 32.33 C ATOM 1308 CG1 VAL A 83 6.472 16.012 15.931 1.00 11.44 C ATOM 1309 CG2 VAL A 83 7.240 18.238 15.076 1.00 64.31 C ATOM 0 H VAL A 83 8.216 17.067 12.953 1.00 75.34 H new ATOM 0 HA VAL A 83 5.693 15.624 13.456 1.00 31.11 H new ATOM 0 HB VAL A 83 5.230 17.534 15.107 1.00 32.33 H new ATOM 0 HG11 VAL A 83 6.446 16.427 16.939 1.00 11.44 H new ATOM 0 HG12 VAL A 83 5.700 15.248 15.833 1.00 11.44 H new ATOM 0 HG13 VAL A 83 7.449 15.566 15.747 1.00 11.44 H new ATOM 0 HG21 VAL A 83 7.204 18.623 16.095 1.00 64.31 H new ATOM 0 HG22 VAL A 83 8.238 17.852 14.869 1.00 64.31 H new ATOM 0 HG23 VAL A 83 7.009 19.042 14.377 1.00 64.31 H new ATOM 1319 N ARG A 84 4.315 17.366 12.271 1.00 12.32 N ATOM 1320 CA ARG A 84 3.575 18.256 11.385 1.00 50.34 C ATOM 1321 C ARG A 84 3.013 19.447 12.155 1.00 13.22 C ATOM 1322 O ARG A 84 1.817 19.733 12.090 1.00 21.13 O ATOM 1323 CB ARG A 84 2.438 17.497 10.698 1.00 43.24 C ATOM 1324 CG ARG A 84 2.906 16.584 9.576 1.00 22.24 C ATOM 1325 CD ARG A 84 1.861 16.470 8.478 1.00 41.14 C ATOM 1326 NE ARG A 84 2.394 15.827 7.280 1.00 61.23 N ATOM 1327 CZ ARG A 84 3.197 16.436 6.414 1.00 73.31 C ATOM 1328 NH1 ARG A 84 3.557 17.696 6.612 1.00 24.04 N ATOM 1329 NH2 ARG A 84 3.641 15.783 5.347 1.00 14.40 N ATOM 0 H ARG A 84 3.765 16.596 12.651 1.00 12.32 H new ATOM 0 HA ARG A 84 4.265 18.628 10.627 1.00 50.34 H new ATOM 0 HB2 ARG A 84 1.908 16.902 11.442 1.00 43.24 H new ATOM 0 HB3 ARG A 84 1.723 18.215 10.296 1.00 43.24 H new ATOM 0 HG2 ARG A 84 3.836 16.969 9.156 1.00 22.24 H new ATOM 0 HG3 ARG A 84 3.123 15.594 9.978 1.00 22.24 H new ATOM 0 HD2 ARG A 84 1.008 15.900 8.847 1.00 41.14 H new ATOM 0 HD3 ARG A 84 1.493 17.464 8.223 1.00 41.14 H new ATOM 0 HE ARG A 84 2.136 14.857 7.098 1.00 61.23 H new ATOM 0 HH11 ARG A 84 3.218 18.201 7.431 1.00 24.04 H new ATOM 0 HH12 ARG A 84 4.174 18.161 5.946 1.00 24.04 H new ATOM 0 HH21 ARG A 84 3.366 14.813 5.192 1.00 14.40 H new ATOM 0 HH22 ARG A 84 4.257 16.251 4.683 1.00 14.40 H new ATOM 1343 N SER A 85 3.883 20.138 12.885 1.00 62.23 N ATOM 1344 CA SER A 85 3.473 21.295 13.671 1.00 1.13 C ATOM 1345 C SER A 85 4.676 21.949 14.343 1.00 4.34 C ATOM 1346 O SER A 85 5.588 21.267 14.812 1.00 43.15 O ATOM 1347 CB SER A 85 2.447 20.882 14.728 1.00 55.21 C ATOM 1348 OG SER A 85 2.892 19.752 15.457 1.00 33.31 O ATOM 0 H SER A 85 4.877 19.916 12.948 1.00 62.23 H new ATOM 0 HA SER A 85 3.018 22.019 12.996 1.00 1.13 H new ATOM 0 HB2 SER A 85 2.270 21.713 15.411 1.00 55.21 H new ATOM 0 HB3 SER A 85 1.495 20.656 14.247 1.00 55.21 H new ATOM 0 HG SER A 85 2.219 19.509 16.127 1.00 33.31 H new ATOM 1354 N LYS A 86 4.672 23.277 14.387 1.00 1.22 N ATOM 1355 CA LYS A 86 5.761 24.027 15.002 1.00 22.53 C ATOM 1356 C LYS A 86 5.256 24.849 16.183 1.00 5.44 C ATOM 1357 O LYS A 86 5.965 25.028 17.174 1.00 75.21 O ATOM 1358 CB LYS A 86 6.421 24.945 13.972 1.00 42.52 C ATOM 1359 CG LYS A 86 5.469 25.960 13.363 1.00 13.13 C ATOM 1360 CD LYS A 86 6.165 26.828 12.328 1.00 21.24 C ATOM 1361 CE LYS A 86 5.583 28.233 12.297 1.00 64.12 C ATOM 1362 NZ LYS A 86 6.501 29.198 11.630 1.00 13.10 N ATOM 0 H LYS A 86 3.926 23.857 14.003 1.00 1.22 H new ATOM 0 HA LYS A 86 6.499 23.313 15.368 1.00 22.53 H new ATOM 0 HB2 LYS A 86 7.248 25.474 14.446 1.00 42.52 H new ATOM 0 HB3 LYS A 86 6.847 24.336 13.175 1.00 42.52 H new ATOM 0 HG2 LYS A 86 4.631 25.441 12.899 1.00 13.13 H new ATOM 0 HG3 LYS A 86 5.057 26.591 14.150 1.00 13.13 H new ATOM 0 HD2 LYS A 86 7.231 26.879 12.552 1.00 21.24 H new ATOM 0 HD3 LYS A 86 6.068 26.371 11.343 1.00 21.24 H new ATOM 0 HE2 LYS A 86 4.627 28.219 11.773 1.00 64.12 H new ATOM 0 HE3 LYS A 86 5.383 28.566 13.315 1.00 64.12 H new ATOM 0 HZ1 LYS A 86 6.069 30.144 11.629 1.00 13.10 H new ATOM 0 HZ2 LYS A 86 7.404 29.230 12.145 1.00 13.10 H new ATOM 0 HZ3 LYS A 86 6.672 28.894 10.650 1.00 13.10 H new ATOM 1376 N GLN A 87 4.029 25.346 16.071 1.00 11.30 N ATOM 1377 CA GLN A 87 3.430 26.149 17.131 1.00 44.32 C ATOM 1378 C GLN A 87 3.308 25.344 18.420 1.00 11.54 C ATOM 1379 O GLN A 87 3.778 25.769 19.475 1.00 12.25 O ATOM 1380 CB GLN A 87 2.053 26.657 16.699 1.00 23.54 C ATOM 1381 CG GLN A 87 1.785 28.100 17.094 1.00 23.25 C ATOM 1382 CD GLN A 87 0.390 28.303 17.650 1.00 14.13 C ATOM 1383 OE1 GLN A 87 -0.432 29.001 17.056 1.00 73.15 O ATOM 1384 NE2 GLN A 87 0.114 27.693 18.797 1.00 21.00 N ATOM 0 H GLN A 87 3.430 25.207 15.257 1.00 11.30 H new ATOM 0 HA GLN A 87 4.081 27.003 17.318 1.00 44.32 H new ATOM 0 HB2 GLN A 87 1.963 26.563 15.617 1.00 23.54 H new ATOM 0 HB3 GLN A 87 1.286 26.020 17.139 1.00 23.54 H new ATOM 0 HG2 GLN A 87 2.518 28.411 17.839 1.00 23.25 H new ATOM 0 HG3 GLN A 87 1.922 28.742 16.224 1.00 23.25 H new ATOM 0 HE21 GLN A 87 0.825 27.124 19.256 1.00 21.00 H new ATOM 0 HE22 GLN A 87 -0.809 27.794 19.219 1.00 21.00 H new ATOM 1393 N ALA A 88 2.673 24.181 18.328 1.00 61.43 N ATOM 1394 CA ALA A 88 2.490 23.316 19.487 1.00 63.34 C ATOM 1395 C ALA A 88 3.833 22.877 20.061 1.00 31.23 C ATOM 1396 O ALA A 88 3.969 22.683 21.270 1.00 10.21 O ATOM 1397 CB ALA A 88 1.652 22.102 19.113 1.00 40.24 C ATOM 0 H ALA A 88 2.276 23.816 17.462 1.00 61.43 H new ATOM 0 HA ALA A 88 1.964 23.884 20.254 1.00 63.34 H new ATOM 0 HB1 ALA A 88 1.524 21.465 19.988 1.00 40.24 H new ATOM 0 HB2 ALA A 88 0.676 22.430 18.756 1.00 40.24 H new ATOM 0 HB3 ALA A 88 2.156 21.540 18.326 1.00 40.24 H new ATOM 1403 N LEU A 89 4.822 22.721 19.188 1.00 30.34 N ATOM 1404 CA LEU A 89 6.155 22.304 19.609 1.00 21.43 C ATOM 1405 C LEU A 89 6.879 23.437 20.328 1.00 13.54 C ATOM 1406 O LEU A 89 7.511 23.227 21.362 1.00 21.25 O ATOM 1407 CB LEU A 89 6.973 21.847 18.400 1.00 24.33 C ATOM 1408 CG LEU A 89 8.450 21.549 18.663 1.00 0.20 C ATOM 1409 CD1 LEU A 89 8.601 20.274 19.478 1.00 12.45 C ATOM 1410 CD2 LEU A 89 9.213 21.439 17.351 1.00 24.22 C ATOM 0 H LEU A 89 4.726 22.877 18.185 1.00 30.34 H new ATOM 0 HA LEU A 89 6.046 21.470 20.303 1.00 21.43 H new ATOM 0 HB2 LEU A 89 6.509 20.949 17.991 1.00 24.33 H new ATOM 0 HB3 LEU A 89 6.910 22.617 17.631 1.00 24.33 H new ATOM 0 HG LEU A 89 8.871 22.374 19.237 1.00 0.20 H new ATOM 0 HD11 LEU A 89 9.659 20.078 19.655 1.00 12.45 H new ATOM 0 HD12 LEU A 89 8.089 20.390 20.433 1.00 12.45 H new ATOM 0 HD13 LEU A 89 8.164 19.439 18.931 1.00 12.45 H new ATOM 0 HD21 LEU A 89 10.262 21.227 17.557 1.00 24.22 H new ATOM 0 HD22 LEU A 89 8.791 20.633 16.751 1.00 24.22 H new ATOM 0 HD23 LEU A 89 9.133 22.378 16.804 1.00 24.22 H new ATOM 1422 N GLY A 90 6.779 24.642 19.774 1.00 2.01 N ATOM 1423 CA GLY A 90 7.427 25.792 20.377 1.00 24.11 C ATOM 1424 C GLY A 90 6.817 26.167 21.713 1.00 41.11 C ATOM 1425 O GLY A 90 7.524 26.290 22.713 1.00 20.44 O ATOM 0 H GLY A 90 6.261 24.842 18.918 1.00 2.01 H new ATOM 0 HA2 GLY A 90 8.487 25.578 20.512 1.00 24.11 H new ATOM 0 HA3 GLY A 90 7.357 26.642 19.698 1.00 24.11 H new ATOM 1429 N ARG A 91 5.501 26.352 21.729 1.00 21.35 N ATOM 1430 CA ARG A 91 4.796 26.718 22.952 1.00 44.30 C ATOM 1431 C ARG A 91 5.085 25.717 24.067 1.00 42.40 C ATOM 1432 O ARG A 91 5.020 26.054 25.249 1.00 44.12 O ATOM 1433 CB ARG A 91 3.290 26.791 22.695 1.00 1.43 C ATOM 1434 CG ARG A 91 2.635 25.431 22.522 1.00 61.15 C ATOM 1435 CD ARG A 91 1.137 25.559 22.292 1.00 23.12 C ATOM 1436 NE ARG A 91 0.420 25.872 23.525 1.00 54.31 N ATOM 1437 CZ ARG A 91 -0.828 26.326 23.554 1.00 54.44 C ATOM 1438 NH1 ARG A 91 -1.494 26.519 22.423 1.00 65.41 N ATOM 1439 NH2 ARG A 91 -1.414 26.589 24.715 1.00 22.41 N ATOM 0 H ARG A 91 4.902 26.255 20.909 1.00 21.35 H new ATOM 0 HA ARG A 91 5.152 27.699 23.267 1.00 44.30 H new ATOM 0 HB2 ARG A 91 2.813 27.311 23.526 1.00 1.43 H new ATOM 0 HB3 ARG A 91 3.111 27.387 21.800 1.00 1.43 H new ATOM 0 HG2 ARG A 91 3.090 24.911 21.679 1.00 61.15 H new ATOM 0 HG3 ARG A 91 2.817 24.823 23.408 1.00 61.15 H new ATOM 0 HD2 ARG A 91 0.949 26.339 21.555 1.00 23.12 H new ATOM 0 HD3 ARG A 91 0.753 24.628 21.876 1.00 23.12 H new ATOM 0 HE ARG A 91 0.904 25.735 24.412 1.00 54.31 H new ATOM 0 HH11 ARG A 91 -1.048 26.319 21.528 1.00 65.41 H new ATOM 0 HH12 ARG A 91 -2.452 26.868 22.449 1.00 65.41 H new ATOM 0 HH21 ARG A 91 -0.906 26.443 25.587 1.00 22.41 H new ATOM 0 HH22 ARG A 91 -2.372 26.938 24.735 1.00 22.41 H new ATOM 1453 N ALA A 92 5.403 24.486 23.682 1.00 64.12 N ATOM 1454 CA ALA A 92 5.703 23.437 24.648 1.00 23.22 C ATOM 1455 C ALA A 92 7.120 23.581 25.193 1.00 22.10 C ATOM 1456 O ALA A 92 7.344 23.486 26.400 1.00 12.35 O ATOM 1457 CB ALA A 92 5.516 22.066 24.014 1.00 3.24 C ATOM 0 H ALA A 92 5.460 24.191 22.707 1.00 64.12 H new ATOM 0 HA ALA A 92 5.009 23.537 25.483 1.00 23.22 H new ATOM 0 HB1 ALA A 92 5.744 21.292 24.747 1.00 3.24 H new ATOM 0 HB2 ALA A 92 4.484 21.957 23.680 1.00 3.24 H new ATOM 0 HB3 ALA A 92 6.186 21.965 23.160 1.00 3.24 H new ATOM 1463 N CYS A 93 8.073 23.809 24.296 1.00 3.23 N ATOM 1464 CA CYS A 93 9.470 23.965 24.688 1.00 72.24 C ATOM 1465 C CYS A 93 9.623 25.068 25.730 1.00 33.40 C ATOM 1466 O CYS A 93 10.560 25.057 26.527 1.00 51.00 O ATOM 1467 CB CYS A 93 10.332 24.280 23.464 1.00 32.42 C ATOM 1468 SG CYS A 93 11.103 22.828 22.711 1.00 32.21 S ATOM 0 H CYS A 93 7.905 23.890 23.293 1.00 3.23 H new ATOM 0 HA CYS A 93 9.805 23.026 25.128 1.00 72.24 H new ATOM 0 HB2 CYS A 93 9.715 24.779 22.717 1.00 32.42 H new ATOM 0 HB3 CYS A 93 11.113 24.983 23.754 1.00 32.42 H new ATOM 0 HG CYS A 93 11.809 23.196 21.683 1.00 32.21 H new ATOM 1474 N GLY A 94 8.695 26.020 25.717 1.00 42.21 N ATOM 1475 CA GLY A 94 8.746 27.118 26.664 1.00 1.33 C ATOM 1476 C GLY A 94 9.308 28.386 26.053 1.00 42.23 C ATOM 1477 O GLY A 94 9.755 29.284 26.767 1.00 21.31 O ATOM 0 H GLY A 94 7.909 26.050 25.068 1.00 42.21 H new ATOM 0 HA2 GLY A 94 7.743 27.314 27.042 1.00 1.33 H new ATOM 0 HA3 GLY A 94 9.357 26.828 27.519 1.00 1.33 H new ATOM 1481 N VAL A 95 9.288 28.461 24.726 1.00 70.34 N ATOM 1482 CA VAL A 95 9.800 29.628 24.018 1.00 61.25 C ATOM 1483 C VAL A 95 8.672 30.398 23.340 1.00 3.33 C ATOM 1484 O VAL A 95 7.718 29.807 22.836 1.00 32.31 O ATOM 1485 CB VAL A 95 10.843 29.228 22.957 1.00 70.11 C ATOM 1486 CG1 VAL A 95 10.258 28.210 21.990 1.00 70.11 C ATOM 1487 CG2 VAL A 95 11.343 30.457 22.212 1.00 22.44 C ATOM 0 H VAL A 95 8.922 27.727 24.119 1.00 70.34 H new ATOM 0 HA VAL A 95 10.276 30.266 24.763 1.00 61.25 H new ATOM 0 HB VAL A 95 11.692 28.767 23.463 1.00 70.11 H new ATOM 0 HG11 VAL A 95 11.009 27.940 21.248 1.00 70.11 H new ATOM 0 HG12 VAL A 95 9.954 27.319 22.540 1.00 70.11 H new ATOM 0 HG13 VAL A 95 9.391 28.641 21.489 1.00 70.11 H new ATOM 0 HG21 VAL A 95 12.079 30.156 21.466 1.00 22.44 H new ATOM 0 HG22 VAL A 95 10.505 30.948 21.717 1.00 22.44 H new ATOM 0 HG23 VAL A 95 11.803 31.148 22.918 1.00 22.44 H new ATOM 1497 N SER A 96 8.789 31.722 23.332 1.00 3.30 N ATOM 1498 CA SER A 96 7.778 32.575 22.719 1.00 14.33 C ATOM 1499 C SER A 96 7.738 32.372 21.208 1.00 65.22 C ATOM 1500 O SER A 96 6.669 32.371 20.598 1.00 40.40 O ATOM 1501 CB SER A 96 8.057 34.045 23.040 1.00 33.24 C ATOM 1502 OG SER A 96 9.450 34.302 23.085 1.00 74.45 O ATOM 0 H SER A 96 9.574 32.227 23.743 1.00 3.30 H new ATOM 0 HA SER A 96 6.808 32.298 23.131 1.00 14.33 H new ATOM 0 HB2 SER A 96 7.591 34.680 22.286 1.00 33.24 H new ATOM 0 HB3 SER A 96 7.605 34.303 23.998 1.00 33.24 H new ATOM 0 HG SER A 96 9.602 35.248 23.290 1.00 74.45 H new ATOM 1508 N ARG A 97 8.913 32.199 20.610 1.00 73.02 N ATOM 1509 CA ARG A 97 9.014 31.996 19.170 1.00 61.34 C ATOM 1510 C ARG A 97 9.010 30.508 18.829 1.00 43.31 C ATOM 1511 O ARG A 97 9.281 29.653 19.672 1.00 70.43 O ATOM 1512 CB ARG A 97 10.287 32.650 18.629 1.00 13.41 C ATOM 1513 CG ARG A 97 10.043 33.990 17.954 1.00 12.21 C ATOM 1514 CD ARG A 97 11.344 34.626 17.491 1.00 64.31 C ATOM 1515 NE ARG A 97 11.126 35.615 16.439 1.00 4.10 N ATOM 1516 CZ ARG A 97 10.894 35.299 15.170 1.00 43.52 C ATOM 1517 NH1 ARG A 97 10.850 34.028 14.797 1.00 74.11 N ATOM 1518 NH2 ARG A 97 10.706 36.257 14.271 1.00 74.24 N ATOM 0 H ARG A 97 9.807 32.195 21.100 1.00 73.02 H new ATOM 0 HA ARG A 97 8.147 32.461 18.701 1.00 61.34 H new ATOM 0 HB2 ARG A 97 10.991 32.789 19.449 1.00 13.41 H new ATOM 0 HB3 ARG A 97 10.758 31.974 17.916 1.00 13.41 H new ATOM 0 HG2 ARG A 97 9.380 33.853 17.100 1.00 12.21 H new ATOM 0 HG3 ARG A 97 9.535 34.661 18.647 1.00 12.21 H new ATOM 0 HD2 ARG A 97 11.837 35.102 18.339 1.00 64.31 H new ATOM 0 HD3 ARG A 97 12.017 33.850 17.125 1.00 64.31 H new ATOM 0 HE ARG A 97 11.153 36.603 16.693 1.00 4.10 H new ATOM 0 HH11 ARG A 97 10.994 33.289 15.485 1.00 74.11 H new ATOM 0 HH12 ARG A 97 10.672 33.789 13.822 1.00 74.11 H new ATOM 0 HH21 ARG A 97 10.740 37.236 14.555 1.00 74.24 H new ATOM 0 HH22 ARG A 97 10.528 36.014 13.296 1.00 74.24 H new ATOM 1532 N PRO A 98 8.696 30.192 17.564 1.00 34.41 N ATOM 1533 CA PRO A 98 8.649 28.808 17.083 1.00 72.31 C ATOM 1534 C PRO A 98 10.034 28.176 17.000 1.00 31.41 C ATOM 1535 O PRO A 98 11.013 28.843 16.666 1.00 70.12 O ATOM 1536 CB PRO A 98 8.036 28.938 15.686 1.00 3.41 C ATOM 1537 CG PRO A 98 8.368 30.325 15.255 1.00 12.54 C ATOM 1538 CD PRO A 98 8.362 31.160 16.506 1.00 12.13 C ATOM 0 HA PRO A 98 8.082 28.163 17.754 1.00 72.31 H new ATOM 0 HB2 PRO A 98 8.453 28.200 15.001 1.00 3.41 H new ATOM 0 HB3 PRO A 98 6.958 28.778 15.710 1.00 3.41 H new ATOM 0 HG2 PRO A 98 9.342 30.359 14.767 1.00 12.54 H new ATOM 0 HG3 PRO A 98 7.638 30.695 14.535 1.00 12.54 H new ATOM 0 HD2 PRO A 98 9.093 31.967 16.454 1.00 12.13 H new ATOM 0 HD3 PRO A 98 7.389 31.622 16.676 1.00 12.13 H new ATOM 1546 N VAL A 99 10.109 26.884 17.306 1.00 4.22 N ATOM 1547 CA VAL A 99 11.375 26.161 17.265 1.00 51.43 C ATOM 1548 C VAL A 99 11.408 25.178 16.100 1.00 45.41 C ATOM 1549 O VAL A 99 10.387 24.591 15.741 1.00 44.35 O ATOM 1550 CB VAL A 99 11.627 25.395 18.577 1.00 74.43 C ATOM 1551 CG1 VAL A 99 10.620 24.266 18.737 1.00 32.21 C ATOM 1552 CG2 VAL A 99 13.050 24.860 18.616 1.00 2.01 C ATOM 0 H VAL A 99 9.308 26.317 17.585 1.00 4.22 H new ATOM 0 HA VAL A 99 12.161 26.905 17.132 1.00 51.43 H new ATOM 0 HB VAL A 99 11.500 26.085 19.411 1.00 74.43 H new ATOM 0 HG11 VAL A 99 10.813 23.736 19.669 1.00 32.21 H new ATOM 0 HG12 VAL A 99 9.611 24.678 18.756 1.00 32.21 H new ATOM 0 HG13 VAL A 99 10.713 23.574 17.900 1.00 32.21 H new ATOM 0 HG21 VAL A 99 13.211 24.321 19.550 1.00 2.01 H new ATOM 0 HG22 VAL A 99 13.208 24.184 17.776 1.00 2.01 H new ATOM 0 HG23 VAL A 99 13.753 25.691 18.550 1.00 2.01 H new ATOM 1562 N ILE A 100 12.588 25.003 15.514 1.00 3.44 N ATOM 1563 CA ILE A 100 12.755 24.090 14.391 1.00 70.11 C ATOM 1564 C ILE A 100 13.603 22.885 14.783 1.00 32.24 C ATOM 1565 O ILE A 100 13.422 21.788 14.256 1.00 33.44 O ATOM 1566 CB ILE A 100 13.408 24.793 13.186 1.00 24.42 C ATOM 1567 CG1 ILE A 100 14.679 25.525 13.623 1.00 60.34 C ATOM 1568 CG2 ILE A 100 12.428 25.761 12.542 1.00 75.32 C ATOM 1569 CD1 ILE A 100 15.896 25.166 12.799 1.00 21.01 C ATOM 0 H ILE A 100 13.442 25.482 15.799 1.00 3.44 H new ATOM 0 HA ILE A 100 11.758 23.753 14.108 1.00 70.11 H new ATOM 0 HB ILE A 100 13.681 24.039 12.448 1.00 24.42 H new ATOM 0 HG12 ILE A 100 14.510 26.600 13.558 1.00 60.34 H new ATOM 0 HG13 ILE A 100 14.879 25.296 14.670 1.00 60.34 H new ATOM 0 HG21 ILE A 100 12.905 26.250 11.692 1.00 75.32 H new ATOM 0 HG22 ILE A 100 11.549 25.215 12.200 1.00 75.32 H new ATOM 0 HG23 ILE A 100 12.127 26.513 13.271 1.00 75.32 H new ATOM 0 HD11 ILE A 100 16.760 25.722 13.164 1.00 21.01 H new ATOM 0 HD12 ILE A 100 16.090 24.097 12.884 1.00 21.01 H new ATOM 0 HD13 ILE A 100 15.716 25.420 11.754 1.00 21.01 H new ATOM 1581 N ALA A 101 14.528 23.097 15.714 1.00 71.23 N ATOM 1582 CA ALA A 101 15.401 22.027 16.180 1.00 4.12 C ATOM 1583 C ALA A 101 15.565 22.074 17.696 1.00 63.25 C ATOM 1584 O ALA A 101 16.089 23.045 18.243 1.00 31.21 O ATOM 1585 CB ALA A 101 16.758 22.118 15.498 1.00 41.15 C ATOM 0 H ALA A 101 14.692 24.000 16.160 1.00 71.23 H new ATOM 0 HA ALA A 101 14.939 21.075 15.919 1.00 4.12 H new ATOM 0 HB1 ALA A 101 17.400 21.313 15.856 1.00 41.15 H new ATOM 0 HB2 ALA A 101 16.630 22.028 14.419 1.00 41.15 H new ATOM 0 HB3 ALA A 101 17.218 23.079 15.730 1.00 41.15 H new ATOM 1591 N CYS A 102 15.114 21.020 18.367 1.00 5.22 N ATOM 1592 CA CYS A 102 15.210 20.942 19.821 1.00 50.04 C ATOM 1593 C CYS A 102 15.515 19.517 20.270 1.00 71.45 C ATOM 1594 O CYS A 102 15.084 18.551 19.639 1.00 11.13 O ATOM 1595 CB CYS A 102 13.910 21.425 20.465 1.00 52.33 C ATOM 1596 SG CYS A 102 12.417 20.693 19.754 1.00 22.42 S ATOM 0 H CYS A 102 14.679 20.208 17.929 1.00 5.22 H new ATOM 0 HA CYS A 102 16.028 21.587 20.142 1.00 50.04 H new ATOM 0 HB2 CYS A 102 13.940 21.200 21.531 1.00 52.33 H new ATOM 0 HB3 CYS A 102 13.851 22.509 20.370 1.00 52.33 H new ATOM 0 HG CYS A 102 12.748 19.869 18.804 1.00 22.42 H new ATOM 1602 N SER A 103 16.262 19.393 21.362 1.00 62.22 N ATOM 1603 CA SER A 103 16.630 18.085 21.892 1.00 11.22 C ATOM 1604 C SER A 103 16.292 17.986 23.377 1.00 52.54 C ATOM 1605 O SER A 103 16.151 18.999 24.062 1.00 41.40 O ATOM 1606 CB SER A 103 18.123 17.826 21.679 1.00 13.43 C ATOM 1607 OG SER A 103 18.515 18.161 20.359 1.00 20.23 O ATOM 0 H SER A 103 16.624 20.182 21.897 1.00 62.22 H new ATOM 0 HA SER A 103 16.057 17.329 21.355 1.00 11.22 H new ATOM 0 HB2 SER A 103 18.702 18.411 22.393 1.00 13.43 H new ATOM 0 HB3 SER A 103 18.345 16.776 21.872 1.00 13.43 H new ATOM 0 HG SER A 103 19.473 17.988 20.249 1.00 20.23 H new ATOM 1613 N VAL A 104 16.162 16.758 23.867 1.00 24.22 N ATOM 1614 CA VAL A 104 15.842 16.525 25.270 1.00 32.43 C ATOM 1615 C VAL A 104 16.981 15.804 25.982 1.00 3.10 C ATOM 1616 O VAL A 104 17.515 14.814 25.480 1.00 3.31 O ATOM 1617 CB VAL A 104 14.552 15.697 25.421 1.00 32.41 C ATOM 1618 CG1 VAL A 104 14.151 15.595 26.885 1.00 75.22 C ATOM 1619 CG2 VAL A 104 13.430 16.304 24.593 1.00 35.01 C ATOM 0 H VAL A 104 16.273 15.909 23.313 1.00 24.22 H new ATOM 0 HA VAL A 104 15.693 17.503 25.727 1.00 32.43 H new ATOM 0 HB VAL A 104 14.742 14.690 25.051 1.00 32.41 H new ATOM 0 HG11 VAL A 104 13.238 15.007 26.972 1.00 75.22 H new ATOM 0 HG12 VAL A 104 14.949 15.111 27.448 1.00 75.22 H new ATOM 0 HG13 VAL A 104 13.978 16.594 27.285 1.00 75.22 H new ATOM 0 HG21 VAL A 104 12.526 15.706 24.711 1.00 35.01 H new ATOM 0 HG22 VAL A 104 13.238 17.322 24.931 1.00 35.01 H new ATOM 0 HG23 VAL A 104 13.720 16.319 23.542 1.00 35.01 H new ATOM 1629 N THR A 105 17.350 16.307 27.156 1.00 22.33 N ATOM 1630 CA THR A 105 18.427 15.712 27.938 1.00 70.01 C ATOM 1631 C THR A 105 17.879 14.748 28.984 1.00 2.55 C ATOM 1632 O THR A 105 17.049 15.124 29.813 1.00 71.32 O ATOM 1633 CB THR A 105 19.272 16.790 28.642 1.00 41.43 C ATOM 1634 OG1 THR A 105 18.540 17.347 29.739 1.00 2.33 O ATOM 1635 CG2 THR A 105 19.658 17.895 27.670 1.00 53.41 C ATOM 0 H THR A 105 16.919 17.125 27.586 1.00 22.33 H new ATOM 0 HA THR A 105 19.060 15.164 27.239 1.00 70.01 H new ATOM 0 HB THR A 105 20.183 16.321 29.014 1.00 41.43 H new ATOM 0 HG1 THR A 105 19.063 17.254 30.562 1.00 2.33 H new ATOM 0 HG21 THR A 105 20.254 18.645 28.190 1.00 53.41 H new ATOM 0 HG22 THR A 105 20.240 17.472 26.851 1.00 53.41 H new ATOM 0 HG23 THR A 105 18.756 18.361 27.272 1.00 53.41 H new ATOM 1643 N ILE A 106 18.349 13.506 28.942 1.00 43.40 N ATOM 1644 CA ILE A 106 17.907 12.490 29.889 1.00 42.04 C ATOM 1645 C ILE A 106 18.563 12.686 31.251 1.00 35.15 C ATOM 1646 O ILE A 106 19.738 13.040 31.343 1.00 63.24 O ATOM 1647 CB ILE A 106 18.222 11.071 29.379 1.00 2.21 C ATOM 1648 CG1 ILE A 106 17.562 10.024 30.279 1.00 50.41 C ATOM 1649 CG2 ILE A 106 19.726 10.852 29.318 1.00 5.11 C ATOM 1650 CD1 ILE A 106 17.065 8.809 29.528 1.00 63.11 C ATOM 0 H ILE A 106 19.036 13.179 28.262 1.00 43.40 H new ATOM 0 HA ILE A 106 16.827 12.600 29.990 1.00 42.04 H new ATOM 0 HB ILE A 106 17.818 10.964 28.372 1.00 2.21 H new ATOM 0 HG12 ILE A 106 18.278 9.705 31.037 1.00 50.41 H new ATOM 0 HG13 ILE A 106 16.725 10.484 30.804 1.00 50.41 H new ATOM 0 HG21 ILE A 106 19.933 9.845 28.956 1.00 5.11 H new ATOM 0 HG22 ILE A 106 20.172 11.580 28.641 1.00 5.11 H new ATOM 0 HG23 ILE A 106 20.152 10.974 30.314 1.00 5.11 H new ATOM 0 HD11 ILE A 106 16.609 8.109 30.229 1.00 63.11 H new ATOM 0 HD12 ILE A 106 16.325 9.116 28.789 1.00 63.11 H new ATOM 0 HD13 ILE A 106 17.902 8.325 29.025 1.00 63.11 H new ATOM 1662 N LYS A 107 17.795 12.452 32.310 1.00 34.32 N ATOM 1663 CA LYS A 107 18.300 12.599 33.670 1.00 32.30 C ATOM 1664 C LYS A 107 18.163 11.292 34.446 1.00 52.44 C ATOM 1665 O LYS A 107 17.053 10.849 34.740 1.00 64.01 O ATOM 1666 CB LYS A 107 17.549 13.717 34.397 1.00 62.12 C ATOM 1667 CG LYS A 107 17.901 13.828 35.870 1.00 4.11 C ATOM 1668 CD LYS A 107 18.134 15.273 36.280 1.00 31.54 C ATOM 1669 CE LYS A 107 19.155 15.376 37.403 1.00 60.40 C ATOM 1670 NZ LYS A 107 20.339 16.185 37.003 1.00 43.00 N ATOM 0 H LYS A 107 16.820 12.159 32.252 1.00 34.32 H new ATOM 0 HA LYS A 107 19.357 12.858 33.612 1.00 32.30 H new ATOM 0 HB2 LYS A 107 17.766 14.667 33.908 1.00 62.12 H new ATOM 0 HB3 LYS A 107 16.477 13.546 34.300 1.00 62.12 H new ATOM 0 HG2 LYS A 107 17.096 13.404 36.470 1.00 4.11 H new ATOM 0 HG3 LYS A 107 18.796 13.241 36.076 1.00 4.11 H new ATOM 0 HD2 LYS A 107 18.479 15.845 35.419 1.00 31.54 H new ATOM 0 HD3 LYS A 107 17.192 15.718 36.601 1.00 31.54 H new ATOM 0 HE2 LYS A 107 18.687 15.825 38.279 1.00 60.40 H new ATOM 0 HE3 LYS A 107 19.479 14.376 37.692 1.00 60.40 H new ATOM 0 HZ1 LYS A 107 21.011 16.232 37.795 1.00 43.00 H new ATOM 0 HZ2 LYS A 107 20.801 15.743 36.183 1.00 43.00 H new ATOM 0 HZ3 LYS A 107 20.033 17.147 36.751 1.00 43.00 H new ATOM 1684 N GLU A 108 19.297 10.683 34.774 1.00 24.43 N ATOM 1685 CA GLU A 108 19.302 9.427 35.517 1.00 40.55 C ATOM 1686 C GLU A 108 18.831 9.642 36.952 1.00 53.51 C ATOM 1687 O GLU A 108 19.123 10.668 37.566 1.00 60.31 O ATOM 1688 CB GLU A 108 20.704 8.813 35.515 1.00 54.51 C ATOM 1689 CG GLU A 108 20.727 7.350 35.923 1.00 4.10 C ATOM 1690 CD GLU A 108 21.942 6.997 36.759 1.00 3.30 C ATOM 1691 OE1 GLU A 108 22.024 7.467 37.914 1.00 72.44 O ATOM 1692 OE2 GLU A 108 22.811 6.253 36.259 1.00 23.23 O ATOM 0 H GLU A 108 20.224 11.038 34.538 1.00 24.43 H new ATOM 0 HA GLU A 108 18.612 8.741 35.026 1.00 40.55 H new ATOM 0 HB2 GLU A 108 21.133 8.910 34.518 1.00 54.51 H new ATOM 0 HB3 GLU A 108 21.341 9.381 36.193 1.00 54.51 H new ATOM 0 HG2 GLU A 108 19.823 7.120 36.487 1.00 4.10 H new ATOM 0 HG3 GLU A 108 20.712 6.727 35.029 1.00 4.10 H new ATOM 1699 N GLY A 109 18.098 8.667 37.481 1.00 70.25 N ATOM 1700 CA GLY A 109 17.597 8.768 38.839 1.00 52.13 C ATOM 1701 C GLY A 109 16.283 9.520 38.917 1.00 20.04 C ATOM 1702 O GLY A 109 15.989 10.167 39.923 1.00 64.24 O ATOM 0 H GLY A 109 17.842 7.809 36.993 1.00 70.25 H new ATOM 0 HA2 GLY A 109 17.464 7.767 39.250 1.00 52.13 H new ATOM 0 HA3 GLY A 109 18.338 9.272 39.460 1.00 52.13 H new ATOM 1706 N SER A 110 15.491 9.437 37.853 1.00 34.44 N ATOM 1707 CA SER A 110 14.203 10.119 37.804 1.00 41.41 C ATOM 1708 C SER A 110 13.147 9.240 37.141 1.00 41.10 C ATOM 1709 O SER A 110 13.440 8.505 36.199 1.00 71.42 O ATOM 1710 CB SER A 110 14.332 11.441 37.045 1.00 52.51 C ATOM 1711 OG SER A 110 14.366 11.225 35.645 1.00 71.40 O ATOM 0 H SER A 110 15.718 8.904 37.013 1.00 34.44 H new ATOM 0 HA SER A 110 13.889 10.324 38.827 1.00 41.41 H new ATOM 0 HB2 SER A 110 13.493 12.091 37.295 1.00 52.51 H new ATOM 0 HB3 SER A 110 15.240 11.957 37.359 1.00 52.51 H new ATOM 0 HG SER A 110 15.294 11.100 35.356 1.00 71.40 H new ATOM 1717 N GLN A 111 11.918 9.323 37.641 1.00 24.21 N ATOM 1718 CA GLN A 111 10.819 8.534 37.098 1.00 14.23 C ATOM 1719 C GLN A 111 10.513 8.944 35.661 1.00 34.43 C ATOM 1720 O GLN A 111 10.028 8.139 34.865 1.00 35.42 O ATOM 1721 CB GLN A 111 9.569 8.699 37.965 1.00 30.40 C ATOM 1722 CG GLN A 111 9.100 10.139 38.089 1.00 55.23 C ATOM 1723 CD GLN A 111 8.059 10.323 39.176 1.00 71.43 C ATOM 1724 OE1 GLN A 111 7.143 9.512 39.318 1.00 60.14 O ATOM 1725 NE2 GLN A 111 8.194 11.392 39.951 1.00 44.21 N ATOM 0 H GLN A 111 11.659 9.928 38.420 1.00 24.21 H new ATOM 0 HA GLN A 111 11.120 7.486 37.101 1.00 14.23 H new ATOM 0 HB2 GLN A 111 8.763 8.098 37.544 1.00 30.40 H new ATOM 0 HB3 GLN A 111 9.773 8.305 38.961 1.00 30.40 H new ATOM 0 HG2 GLN A 111 9.957 10.779 38.300 1.00 55.23 H new ATOM 0 HG3 GLN A 111 8.685 10.465 37.135 1.00 55.23 H new ATOM 0 HE21 GLN A 111 8.968 12.038 39.798 1.00 44.21 H new ATOM 0 HE22 GLN A 111 7.524 11.567 40.699 1.00 44.21 H new ATOM 1734 N LEU A 112 10.799 10.199 35.336 1.00 54.33 N ATOM 1735 CA LEU A 112 10.554 10.716 33.994 1.00 53.43 C ATOM 1736 C LEU A 112 11.200 9.823 32.940 1.00 41.33 C ATOM 1737 O LEU A 112 10.695 9.696 31.824 1.00 65.41 O ATOM 1738 CB LEU A 112 11.092 12.143 33.869 1.00 32.15 C ATOM 1739 CG LEU A 112 10.202 13.133 33.116 1.00 23.41 C ATOM 1740 CD1 LEU A 112 10.875 14.494 33.026 1.00 21.52 C ATOM 1741 CD2 LEU A 112 9.875 12.605 31.727 1.00 72.31 C ATOM 0 H LEU A 112 11.201 10.878 35.983 1.00 54.33 H new ATOM 0 HA LEU A 112 9.477 10.724 33.826 1.00 53.43 H new ATOM 0 HB2 LEU A 112 11.267 12.533 34.872 1.00 32.15 H new ATOM 0 HB3 LEU A 112 12.060 12.102 33.369 1.00 32.15 H new ATOM 0 HG LEU A 112 9.270 13.248 33.669 1.00 23.41 H new ATOM 0 HD11 LEU A 112 10.227 15.185 32.487 1.00 21.52 H new ATOM 0 HD12 LEU A 112 11.058 14.876 34.030 1.00 21.52 H new ATOM 0 HD13 LEU A 112 11.823 14.397 32.496 1.00 21.52 H new ATOM 0 HD21 LEU A 112 9.241 13.322 31.205 1.00 72.31 H new ATOM 0 HD22 LEU A 112 10.798 12.461 31.166 1.00 72.31 H new ATOM 0 HD23 LEU A 112 9.351 11.653 31.814 1.00 72.31 H new ATOM 1753 N LYS A 113 12.319 9.205 33.301 1.00 22.13 N ATOM 1754 CA LYS A 113 13.034 8.320 32.389 1.00 1.11 C ATOM 1755 C LYS A 113 12.096 7.271 31.801 1.00 14.14 C ATOM 1756 O LYS A 113 12.270 6.838 30.663 1.00 41.43 O ATOM 1757 CB LYS A 113 14.193 7.633 33.115 1.00 11.44 C ATOM 1758 CG LYS A 113 14.896 6.579 32.278 1.00 4.50 C ATOM 1759 CD LYS A 113 16.317 6.340 32.761 1.00 1.40 C ATOM 1760 CE LYS A 113 16.908 5.079 32.151 1.00 63.31 C ATOM 1761 NZ LYS A 113 16.551 3.864 32.935 1.00 64.24 N ATOM 0 H LYS A 113 12.751 9.301 34.220 1.00 22.13 H new ATOM 0 HA LYS A 113 13.431 8.925 31.574 1.00 1.11 H new ATOM 0 HB2 LYS A 113 14.919 8.387 33.418 1.00 11.44 H new ATOM 0 HB3 LYS A 113 13.816 7.169 34.026 1.00 11.44 H new ATOM 0 HG2 LYS A 113 14.335 5.646 32.320 1.00 4.50 H new ATOM 0 HG3 LYS A 113 14.913 6.894 31.235 1.00 4.50 H new ATOM 0 HD2 LYS A 113 16.939 7.197 32.502 1.00 1.40 H new ATOM 0 HD3 LYS A 113 16.324 6.258 33.848 1.00 1.40 H new ATOM 0 HE2 LYS A 113 16.550 4.969 31.127 1.00 63.31 H new ATOM 0 HE3 LYS A 113 17.993 5.173 32.101 1.00 63.31 H new ATOM 0 HZ1 LYS A 113 16.973 3.025 32.487 1.00 64.24 H new ATOM 0 HZ2 LYS A 113 16.914 3.958 33.905 1.00 64.24 H new ATOM 0 HZ3 LYS A 113 15.517 3.759 32.961 1.00 64.24 H new ATOM 1775 N GLN A 114 11.101 6.868 32.585 1.00 15.31 N ATOM 1776 CA GLN A 114 10.135 5.871 32.141 1.00 74.44 C ATOM 1777 C GLN A 114 9.366 6.363 30.919 1.00 41.32 C ATOM 1778 O GLN A 114 9.154 5.615 29.965 1.00 14.12 O ATOM 1779 CB GLN A 114 9.159 5.536 33.270 1.00 22.53 C ATOM 1780 CG GLN A 114 8.300 4.313 32.990 1.00 41.22 C ATOM 1781 CD GLN A 114 9.002 3.015 33.336 1.00 71.22 C ATOM 1782 OE1 GLN A 114 8.805 2.458 34.416 1.00 1.04 O ATOM 1783 NE2 GLN A 114 9.827 2.524 32.418 1.00 54.42 N ATOM 0 H GLN A 114 10.943 7.217 33.530 1.00 15.31 H new ATOM 0 HA GLN A 114 10.683 4.970 31.865 1.00 74.44 H new ATOM 0 HB2 GLN A 114 9.722 5.371 34.189 1.00 22.53 H new ATOM 0 HB3 GLN A 114 8.509 6.394 33.444 1.00 22.53 H new ATOM 0 HG2 GLN A 114 7.375 4.385 33.562 1.00 41.22 H new ATOM 0 HG3 GLN A 114 8.023 4.302 31.936 1.00 41.22 H new ATOM 0 HE21 GLN A 114 9.961 3.018 31.536 1.00 54.42 H new ATOM 0 HE22 GLN A 114 10.327 1.653 32.595 1.00 54.42 H new ATOM 1792 N GLN A 115 8.952 7.626 30.956 1.00 62.22 N ATOM 1793 CA GLN A 115 8.206 8.217 29.851 1.00 3.23 C ATOM 1794 C GLN A 115 9.084 8.350 28.611 1.00 12.00 C ATOM 1795 O GLN A 115 8.729 7.872 27.534 1.00 75.55 O ATOM 1796 CB GLN A 115 7.660 9.588 30.253 1.00 1.33 C ATOM 1797 CG GLN A 115 6.308 9.526 30.945 1.00 31.51 C ATOM 1798 CD GLN A 115 5.175 9.217 29.986 1.00 43.43 C ATOM 1799 OE1 GLN A 115 5.401 8.734 28.876 1.00 74.02 O ATOM 1800 NE2 GLN A 115 3.948 9.496 30.409 1.00 10.02 N ATOM 0 H GLN A 115 9.120 8.259 31.738 1.00 62.22 H new ATOM 0 HA GLN A 115 7.372 7.556 29.614 1.00 3.23 H new ATOM 0 HB2 GLN A 115 8.376 10.075 30.915 1.00 1.33 H new ATOM 0 HB3 GLN A 115 7.575 10.211 29.363 1.00 1.33 H new ATOM 0 HG2 GLN A 115 6.337 8.764 31.724 1.00 31.51 H new ATOM 0 HG3 GLN A 115 6.112 10.478 31.438 1.00 31.51 H new ATOM 0 HE21 GLN A 115 3.807 9.896 31.337 1.00 10.02 H new ATOM 0 HE22 GLN A 115 3.146 9.311 29.806 1.00 10.02 H new ATOM 1809 N ILE A 116 10.230 9.003 28.771 1.00 62.53 N ATOM 1810 CA ILE A 116 11.158 9.197 27.664 1.00 43.33 C ATOM 1811 C ILE A 116 11.578 7.863 27.057 1.00 60.21 C ATOM 1812 O ILE A 116 11.813 7.765 25.853 1.00 65.40 O ATOM 1813 CB ILE A 116 12.417 9.963 28.112 1.00 20.15 C ATOM 1814 CG1 ILE A 116 12.028 11.293 28.760 1.00 54.41 C ATOM 1815 CG2 ILE A 116 13.346 10.195 26.930 1.00 74.11 C ATOM 1816 CD1 ILE A 116 13.206 12.064 29.313 1.00 51.34 C ATOM 0 H ILE A 116 10.538 9.406 29.656 1.00 62.53 H new ATOM 0 HA ILE A 116 10.632 9.786 26.912 1.00 43.33 H new ATOM 0 HB ILE A 116 12.946 9.361 28.851 1.00 20.15 H new ATOM 0 HG12 ILE A 116 11.514 11.910 28.023 1.00 54.41 H new ATOM 0 HG13 ILE A 116 11.319 11.102 29.566 1.00 54.41 H new ATOM 0 HG21 ILE A 116 14.231 10.737 27.264 1.00 74.11 H new ATOM 0 HG22 ILE A 116 13.646 9.235 26.509 1.00 74.11 H new ATOM 0 HG23 ILE A 116 12.828 10.779 26.169 1.00 74.11 H new ATOM 0 HD11 ILE A 116 12.855 12.996 29.757 1.00 51.34 H new ATOM 0 HD12 ILE A 116 13.708 11.466 30.074 1.00 51.34 H new ATOM 0 HD13 ILE A 116 13.905 12.287 28.507 1.00 51.34 H new ATOM 1828 N GLN A 117 11.668 6.838 27.899 1.00 54.32 N ATOM 1829 CA GLN A 117 12.058 5.509 27.444 1.00 32.25 C ATOM 1830 C GLN A 117 10.962 4.883 26.588 1.00 21.32 C ATOM 1831 O GLN A 117 11.228 4.362 25.505 1.00 45.20 O ATOM 1832 CB GLN A 117 12.364 4.607 28.642 1.00 53.13 C ATOM 1833 CG GLN A 117 13.812 4.674 29.100 1.00 53.42 C ATOM 1834 CD GLN A 117 14.353 3.324 29.525 1.00 34.40 C ATOM 1835 OE1 GLN A 117 15.021 2.638 28.751 1.00 74.33 O ATOM 1836 NE2 GLN A 117 14.066 2.934 30.762 1.00 65.43 N ATOM 0 H GLN A 117 11.476 6.903 28.899 1.00 54.32 H new ATOM 0 HA GLN A 117 12.956 5.610 26.835 1.00 32.25 H new ATOM 0 HB2 GLN A 117 11.716 4.887 29.472 1.00 53.13 H new ATOM 0 HB3 GLN A 117 12.121 3.577 28.382 1.00 53.13 H new ATOM 0 HG2 GLN A 117 14.427 5.069 28.291 1.00 53.42 H new ATOM 0 HG3 GLN A 117 13.894 5.372 29.933 1.00 53.42 H new ATOM 0 HE21 GLN A 117 13.509 3.535 31.370 1.00 65.43 H new ATOM 0 HE22 GLN A 117 14.403 2.034 31.104 1.00 65.43 H new ATOM 1845 N SER A 118 9.729 4.937 27.081 1.00 30.34 N ATOM 1846 CA SER A 118 8.593 4.371 26.363 1.00 30.01 C ATOM 1847 C SER A 118 8.539 4.896 24.932 1.00 50.52 C ATOM 1848 O SER A 118 8.436 4.123 23.979 1.00 55.51 O ATOM 1849 CB SER A 118 7.288 4.701 27.089 1.00 14.43 C ATOM 1850 OG SER A 118 6.931 3.669 27.993 1.00 41.35 O ATOM 0 H SER A 118 9.491 5.367 27.975 1.00 30.34 H new ATOM 0 HA SER A 118 8.718 3.289 26.330 1.00 30.01 H new ATOM 0 HB2 SER A 118 7.397 5.641 27.630 1.00 14.43 H new ATOM 0 HB3 SER A 118 6.489 4.843 26.361 1.00 14.43 H new ATOM 0 HG SER A 118 6.094 3.905 28.445 1.00 41.35 H new ATOM 1856 N ILE A 119 8.610 6.216 24.790 1.00 73.44 N ATOM 1857 CA ILE A 119 8.570 6.845 23.476 1.00 50.05 C ATOM 1858 C ILE A 119 9.806 6.488 22.657 1.00 23.04 C ATOM 1859 O ILE A 119 9.757 6.443 21.429 1.00 42.44 O ATOM 1860 CB ILE A 119 8.468 8.378 23.588 1.00 32.42 C ATOM 1861 CG1 ILE A 119 7.217 8.771 24.377 1.00 21.52 C ATOM 1862 CG2 ILE A 119 8.448 9.010 22.205 1.00 43.33 C ATOM 1863 CD1 ILE A 119 7.054 10.265 24.546 1.00 21.24 C ATOM 0 H ILE A 119 8.695 6.870 25.568 1.00 73.44 H new ATOM 0 HA ILE A 119 7.681 6.465 22.972 1.00 50.05 H new ATOM 0 HB ILE A 119 9.343 8.748 24.122 1.00 32.42 H new ATOM 0 HG12 ILE A 119 6.338 8.373 23.870 1.00 21.52 H new ATOM 0 HG13 ILE A 119 7.257 8.304 25.361 1.00 21.52 H new ATOM 0 HG21 ILE A 119 8.376 10.093 22.301 1.00 43.33 H new ATOM 0 HG22 ILE A 119 9.365 8.753 21.674 1.00 43.33 H new ATOM 0 HG23 ILE A 119 7.589 8.637 21.647 1.00 43.33 H new ATOM 0 HD11 ILE A 119 6.147 10.470 25.114 1.00 21.24 H new ATOM 0 HD12 ILE A 119 7.915 10.667 25.080 1.00 21.24 H new ATOM 0 HD13 ILE A 119 6.982 10.736 23.566 1.00 21.24 H new ATOM 1875 N GLN A 120 10.913 6.233 23.348 1.00 32.11 N ATOM 1876 CA GLN A 120 12.162 5.878 22.685 1.00 41.30 C ATOM 1877 C GLN A 120 11.958 4.708 21.729 1.00 73.21 C ATOM 1878 O GLN A 120 12.411 4.743 20.585 1.00 23.55 O ATOM 1879 CB GLN A 120 13.231 5.526 23.720 1.00 25.13 C ATOM 1880 CG GLN A 120 14.623 6.009 23.346 1.00 3.20 C ATOM 1881 CD GLN A 120 15.640 5.767 24.444 1.00 62.30 C ATOM 1882 OE1 GLN A 120 16.566 6.704 24.612 1.00 71.10 O flip ATOM 1883 NE2 GLN A 120 15.595 4.748 25.134 1.00 54.23 N flip ATOM 0 H GLN A 120 10.970 6.266 24.366 1.00 32.11 H new ATOM 0 HA GLN A 120 12.495 6.741 22.108 1.00 41.30 H new ATOM 0 HB2 GLN A 120 12.951 5.959 24.680 1.00 25.13 H new ATOM 0 HB3 GLN A 120 13.254 4.444 23.852 1.00 25.13 H new ATOM 0 HG2 GLN A 120 14.947 5.502 22.437 1.00 3.20 H new ATOM 0 HG3 GLN A 120 14.585 7.075 23.120 1.00 3.20 H new ATOM 0 HE21 GLN A 120 14.866 4.053 24.971 1.00 54.23 H new ATOM 0 HE22 GLN A 120 16.287 4.599 25.869 1.00 54.23 H new ATOM 1892 N GLN A 121 11.273 3.673 22.206 1.00 52.32 N ATOM 1893 CA GLN A 121 11.010 2.492 21.393 1.00 71.22 C ATOM 1894 C GLN A 121 10.157 2.845 20.179 1.00 34.11 C ATOM 1895 O GLN A 121 10.241 2.194 19.138 1.00 31.40 O ATOM 1896 CB GLN A 121 10.311 1.418 22.228 1.00 74.43 C ATOM 1897 CG GLN A 121 11.240 0.310 22.696 1.00 5.02 C ATOM 1898 CD GLN A 121 11.751 0.534 24.106 1.00 32.21 C ATOM 1899 OE1 GLN A 121 10.969 0.707 25.041 1.00 11.24 O ATOM 1900 NE2 GLN A 121 13.069 0.531 24.266 1.00 10.12 N ATOM 0 H GLN A 121 10.891 3.629 23.151 1.00 52.32 H new ATOM 0 HA GLN A 121 11.966 2.104 21.041 1.00 71.22 H new ATOM 0 HB2 GLN A 121 9.852 1.888 23.098 1.00 74.43 H new ATOM 0 HB3 GLN A 121 9.505 0.980 21.640 1.00 74.43 H new ATOM 0 HG2 GLN A 121 10.714 -0.643 22.652 1.00 5.02 H new ATOM 0 HG3 GLN A 121 12.087 0.239 22.014 1.00 5.02 H new ATOM 0 HE21 GLN A 121 13.680 0.384 23.463 1.00 10.12 H new ATOM 0 HE22 GLN A 121 13.471 0.676 25.192 1.00 10.12 H new ATOM 1909 N SER A 122 9.335 3.880 20.321 1.00 72.03 N ATOM 1910 CA SER A 122 8.462 4.317 19.237 1.00 45.20 C ATOM 1911 C SER A 122 9.278 4.873 18.074 1.00 42.51 C ATOM 1912 O SER A 122 8.990 4.594 16.910 1.00 53.22 O ATOM 1913 CB SER A 122 7.481 5.378 19.740 1.00 24.10 C ATOM 1914 OG SER A 122 6.208 5.220 19.139 1.00 13.33 O ATOM 0 H SER A 122 9.255 4.431 21.175 1.00 72.03 H new ATOM 0 HA SER A 122 7.901 3.452 18.884 1.00 45.20 H new ATOM 0 HB2 SER A 122 7.387 5.306 20.824 1.00 24.10 H new ATOM 0 HB3 SER A 122 7.870 6.372 19.519 1.00 24.10 H new ATOM 0 HG SER A 122 5.567 4.902 19.809 1.00 13.33 H new ATOM 1920 N ILE A 123 10.297 5.662 18.398 1.00 25.20 N ATOM 1921 CA ILE A 123 11.156 6.257 17.381 1.00 31.32 C ATOM 1922 C ILE A 123 12.026 5.200 16.710 1.00 63.13 C ATOM 1923 O ILE A 123 12.267 5.255 15.504 1.00 3.44 O ATOM 1924 CB ILE A 123 12.063 7.349 17.979 1.00 72.42 C ATOM 1925 CG1 ILE A 123 11.218 8.436 18.646 1.00 75.33 C ATOM 1926 CG2 ILE A 123 12.951 7.949 16.899 1.00 22.42 C ATOM 1927 CD1 ILE A 123 12.021 9.376 19.517 1.00 54.45 C ATOM 0 H ILE A 123 10.548 5.904 19.357 1.00 25.20 H new ATOM 0 HA ILE A 123 10.499 6.709 16.638 1.00 31.32 H new ATOM 0 HB ILE A 123 12.701 6.896 18.737 1.00 72.42 H new ATOM 0 HG12 ILE A 123 10.709 9.014 17.874 1.00 75.33 H new ATOM 0 HG13 ILE A 123 10.445 7.963 19.252 1.00 75.33 H new ATOM 0 HG21 ILE A 123 13.586 8.719 17.337 1.00 22.42 H new ATOM 0 HG22 ILE A 123 13.575 7.167 16.465 1.00 22.42 H new ATOM 0 HG23 ILE A 123 12.329 8.391 16.121 1.00 22.42 H new ATOM 0 HD11 ILE A 123 11.357 10.120 19.957 1.00 54.45 H new ATOM 0 HD12 ILE A 123 12.508 8.810 20.311 1.00 54.45 H new ATOM 0 HD13 ILE A 123 12.777 9.877 18.912 1.00 54.45 H new ATOM 1939 N GLU A 124 12.493 4.237 17.499 1.00 44.24 N ATOM 1940 CA GLU A 124 13.336 3.167 16.979 1.00 25.22 C ATOM 1941 C GLU A 124 12.560 2.288 16.002 1.00 1.24 C ATOM 1942 O GLU A 124 13.032 1.997 14.903 1.00 11.11 O ATOM 1943 CB GLU A 124 13.881 2.314 18.127 1.00 43.11 C ATOM 1944 CG GLU A 124 15.261 1.739 17.856 1.00 62.32 C ATOM 1945 CD GLU A 124 15.210 0.302 17.373 1.00 13.12 C ATOM 1946 OE1 GLU A 124 14.977 -0.597 18.208 1.00 53.11 O ATOM 1947 OE2 GLU A 124 15.402 0.077 16.160 1.00 44.32 O ATOM 0 H GLU A 124 12.302 4.176 18.499 1.00 44.24 H new ATOM 0 HA GLU A 124 14.170 3.623 16.446 1.00 25.22 H new ATOM 0 HB2 GLU A 124 13.921 2.920 19.032 1.00 43.11 H new ATOM 0 HB3 GLU A 124 13.188 1.496 18.322 1.00 43.11 H new ATOM 0 HG2 GLU A 124 15.765 2.352 17.109 1.00 62.32 H new ATOM 0 HG3 GLU A 124 15.858 1.791 18.767 1.00 62.32 H new ATOM 1954 N ARG A 125 11.368 1.869 16.412 1.00 34.33 N ATOM 1955 CA ARG A 125 10.526 1.022 15.575 1.00 1.21 C ATOM 1956 C ARG A 125 10.210 1.710 14.251 1.00 54.45 C ATOM 1957 O ARG A 125 10.079 1.057 13.215 1.00 64.05 O ATOM 1958 CB ARG A 125 9.227 0.676 16.305 1.00 3.14 C ATOM 1959 CG ARG A 125 9.416 -0.302 17.454 1.00 41.43 C ATOM 1960 CD ARG A 125 8.415 -1.444 17.383 1.00 61.21 C ATOM 1961 NE ARG A 125 7.045 -0.986 17.598 1.00 42.31 N ATOM 1962 CZ ARG A 125 6.552 -0.679 18.792 1.00 11.44 C ATOM 1963 NH1 ARG A 125 7.313 -0.780 19.873 1.00 13.15 N ATOM 1964 NH2 ARG A 125 5.295 -0.268 18.907 1.00 22.41 N ATOM 0 H ARG A 125 10.963 2.102 17.319 1.00 34.33 H new ATOM 0 HA ARG A 125 11.073 0.102 15.366 1.00 1.21 H new ATOM 0 HB2 ARG A 125 8.781 1.593 16.689 1.00 3.14 H new ATOM 0 HB3 ARG A 125 8.521 0.253 15.591 1.00 3.14 H new ATOM 0 HG2 ARG A 125 10.429 -0.703 17.429 1.00 41.43 H new ATOM 0 HG3 ARG A 125 9.304 0.223 18.403 1.00 41.43 H new ATOM 0 HD2 ARG A 125 8.486 -1.928 16.409 1.00 61.21 H new ATOM 0 HD3 ARG A 125 8.668 -2.195 18.132 1.00 61.21 H new ATOM 0 HE ARG A 125 6.433 -0.897 16.787 1.00 42.31 H new ATOM 0 HH11 ARG A 125 8.280 -1.094 19.789 1.00 13.15 H new ATOM 0 HH12 ARG A 125 6.932 -0.543 20.789 1.00 13.15 H new ATOM 0 HH21 ARG A 125 4.707 -0.188 18.078 1.00 22.41 H new ATOM 0 HH22 ARG A 125 4.917 -0.032 19.825 1.00 22.41 H new ATOM 1978 N LEU A 126 10.087 3.033 14.291 1.00 33.55 N ATOM 1979 CA LEU A 126 9.785 3.810 13.095 1.00 52.23 C ATOM 1980 C LEU A 126 11.041 4.031 12.257 1.00 34.54 C ATOM 1981 O LEU A 126 10.977 4.099 11.029 1.00 32.11 O ATOM 1982 CB LEU A 126 9.172 5.158 13.480 1.00 73.25 C ATOM 1983 CG LEU A 126 7.648 5.253 13.387 1.00 44.24 C ATOM 1984 CD1 LEU A 126 7.194 5.148 11.939 1.00 43.30 C ATOM 1985 CD2 LEU A 126 6.994 4.171 14.233 1.00 73.14 C ATOM 0 H LEU A 126 10.192 3.589 15.139 1.00 33.55 H new ATOM 0 HA LEU A 126 9.067 3.248 12.498 1.00 52.23 H new ATOM 0 HB2 LEU A 126 9.469 5.391 14.503 1.00 73.25 H new ATOM 0 HB3 LEU A 126 9.604 5.927 12.840 1.00 73.25 H new ATOM 0 HG LEU A 126 7.339 6.224 13.773 1.00 44.24 H new ATOM 0 HD11 LEU A 126 6.107 5.218 11.892 1.00 43.30 H new ATOM 0 HD12 LEU A 126 7.635 5.959 11.360 1.00 43.30 H new ATOM 0 HD13 LEU A 126 7.514 4.192 11.526 1.00 43.30 H new ATOM 0 HD21 LEU A 126 5.910 4.254 14.155 1.00 73.14 H new ATOM 0 HD22 LEU A 126 7.310 3.190 13.877 1.00 73.14 H new ATOM 0 HD23 LEU A 126 7.293 4.293 15.274 1.00 73.14 H new ATOM 1997 N LEU A 127 12.182 4.139 12.929 1.00 74.00 N ATOM 1998 CA LEU A 127 13.454 4.349 12.247 1.00 51.11 C ATOM 1999 C LEU A 127 13.748 3.208 11.279 1.00 72.41 C ATOM 2000 O LEU A 127 14.096 3.436 10.120 1.00 30.04 O ATOM 2001 CB LEU A 127 14.587 4.473 13.267 1.00 63.14 C ATOM 2002 CG LEU A 127 14.854 5.878 13.807 1.00 55.41 C ATOM 2003 CD1 LEU A 127 15.948 5.846 14.862 1.00 44.21 C ATOM 2004 CD2 LEU A 127 15.229 6.823 12.674 1.00 23.24 C ATOM 0 H LEU A 127 12.252 4.085 13.945 1.00 74.00 H new ATOM 0 HA LEU A 127 13.384 5.275 11.676 1.00 51.11 H new ATOM 0 HB2 LEU A 127 14.364 3.818 14.109 1.00 63.14 H new ATOM 0 HB3 LEU A 127 15.504 4.101 12.809 1.00 63.14 H new ATOM 0 HG LEU A 127 13.940 6.247 14.273 1.00 55.41 H new ATOM 0 HD11 LEU A 127 16.124 6.855 15.234 1.00 44.21 H new ATOM 0 HD12 LEU A 127 15.640 5.203 15.687 1.00 44.21 H new ATOM 0 HD13 LEU A 127 16.866 5.456 14.422 1.00 44.21 H new ATOM 0 HD21 LEU A 127 15.415 7.818 13.077 1.00 23.24 H new ATOM 0 HD22 LEU A 127 16.128 6.458 12.178 1.00 23.24 H new ATOM 0 HD23 LEU A 127 14.412 6.870 11.954 1.00 23.24 H new