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 28 GLN : amide:sc= -0.776 K(o=-0.78,f=-0.13) USER MOD Set 1.2: A 115 GLN : amide:sc=-0.00508 K(o=-0.78,f=0.84) USER MOD Set 2.1: A 114 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Set 2.2: A 117 GLN : amide:sc= 0 X(o=-0.2,f=-0.35) USER MOD Set 3.1: A 32 TYR OH : rot 30:sc= 0.439 USER MOD Set 3.2: A 110 SER OG : rot 110:sc= 0.665 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= -0.215 USER MOD Set 4.2: A 34 GLN : amide:sc= -2.41 K(o=-5.3,f=-8.3!) USER MOD Set 4.3: A 105 THR OG1 : rot -60:sc= 0.462 USER MOD Set 4.4: A 107 LYS NZ :NH3+ -115:sc= -3.11! (180deg=-5.58!) USER MOD Set 5.1: A 45 THR OG1 : rot -55:sc= 1.83 USER MOD Set 5.2: A 51 SER OG : rot 132:sc= 1.26 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=-0.00033) USER MOD Single : A 19 THR OG1 : rot 71:sc= 0.126 USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00522) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 30 CYS SG : rot -55:sc= 1.16 USER MOD Single : A 31 ASN : amide:sc=-0.00464 X(o=-0.0046,f=-0.24) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= -0.839 (180deg=-1.79!) USER MOD Single : A 40 ASN : amide:sc=-0.00495 X(o=-0.005,f=-0.19) USER MOD Single : A 43 THR OG1 : rot -80:sc= 1.29 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 56 MET CE :methyl 139:sc= -2.45 (180deg=-4.2!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 165: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 K(o=0,f=-0.72) USER MOD Single : A 93 CYS SG : rot 180:sc= -0.0802 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 150:sc= -0.389 USER MOD Single : A 103 SER OG : rot 84:sc= -2.98! USER MOD Single : A 111 GLN : amide:sc= -0.0455 X(o=-0.046,f=-0.27) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 10.841 13.528 4.356 1.00 60.14 N ATOM 136 CA ALA A 10 10.323 13.946 5.654 1.00 1.43 C ATOM 137 C ALA A 10 9.677 12.777 6.389 1.00 33.41 C ATOM 138 O ALA A 10 8.639 12.934 7.034 1.00 22.50 O ATOM 139 CB ALA A 10 9.325 15.081 5.481 1.00 71.43 C ATOM 0 HA ALA A 10 11.160 14.301 6.256 1.00 1.43 H new ATOM 0 HB1 ALA A 10 8.946 15.384 6.457 1.00 71.43 H new ATOM 0 HB2 ALA A 10 9.817 15.929 5.004 1.00 71.43 H new ATOM 0 HB3 ALA A 10 8.496 14.745 4.858 1.00 71.43 H new ATOM 145 N TYR A 11 10.295 11.606 6.289 1.00 71.00 N ATOM 146 CA TYR A 11 9.777 10.410 6.943 1.00 24.32 C ATOM 147 C TYR A 11 10.870 9.711 7.743 1.00 43.45 C ATOM 148 O TYR A 11 12.065 9.912 7.519 1.00 55.11 O ATOM 149 CB TYR A 11 9.195 9.449 5.905 1.00 75.14 C ATOM 150 CG TYR A 11 7.683 9.429 5.880 1.00 51.40 C ATOM 151 CD1 TYR A 11 6.956 10.598 5.693 1.00 23.23 C ATOM 152 CD2 TYR A 11 6.981 8.241 6.042 1.00 53.24 C ATOM 153 CE1 TYR A 11 5.575 10.585 5.670 1.00 13.33 C ATOM 154 CE2 TYR A 11 5.600 8.217 6.019 1.00 23.14 C ATOM 155 CZ TYR A 11 4.901 9.392 5.833 1.00 2.22 C ATOM 156 OH TYR A 11 3.526 9.375 5.809 1.00 52.44 O ATOM 0 H TYR A 11 11.155 11.459 5.761 1.00 71.00 H new ATOM 0 HA TYR A 11 8.988 10.714 7.630 1.00 24.32 H new ATOM 0 HB2 TYR A 11 9.563 9.728 4.917 1.00 75.14 H new ATOM 0 HB3 TYR A 11 9.560 8.442 6.109 1.00 75.14 H new ATOM 0 HD1 TYR A 11 7.480 11.533 5.563 1.00 23.23 H new ATOM 0 HD2 TYR A 11 7.525 7.320 6.189 1.00 53.24 H new ATOM 0 HE1 TYR A 11 5.026 11.504 5.525 1.00 13.33 H new ATOM 0 HE2 TYR A 11 5.071 7.284 6.146 1.00 23.14 H new ATOM 0 HH TYR A 11 3.208 8.457 5.937 1.00 52.44 H new ATOM 166 N PRO A 12 10.454 8.868 8.700 1.00 62.42 N ATOM 167 CA PRO A 12 9.036 8.621 8.976 1.00 22.22 C ATOM 168 C PRO A 12 8.350 9.829 9.604 1.00 61.30 C ATOM 169 O PRO A 12 8.959 10.570 10.378 1.00 23.04 O ATOM 170 CB PRO A 12 9.065 7.450 9.961 1.00 60.51 C ATOM 171 CG PRO A 12 10.395 7.545 10.624 1.00 72.24 C ATOM 172 CD PRO A 12 11.337 8.091 9.586 1.00 73.54 C ATOM 0 HA PRO A 12 8.473 8.415 8.066 1.00 22.22 H new ATOM 0 HB2 PRO A 12 8.255 7.523 10.687 1.00 60.51 H new ATOM 0 HB3 PRO A 12 8.947 6.497 9.446 1.00 60.51 H new ATOM 0 HG2 PRO A 12 10.351 8.200 11.494 1.00 72.24 H new ATOM 0 HG3 PRO A 12 10.726 6.568 10.976 1.00 72.24 H new ATOM 0 HD2 PRO A 12 12.109 8.717 10.033 1.00 73.54 H new ATOM 0 HD3 PRO A 12 11.847 7.293 9.046 1.00 73.54 H new ATOM 180 N LEU A 13 7.079 10.023 9.269 1.00 5.43 N ATOM 181 CA LEU A 13 6.309 11.142 9.801 1.00 13.13 C ATOM 182 C LEU A 13 5.255 10.656 10.790 1.00 53.51 C ATOM 183 O LEU A 13 4.648 9.602 10.598 1.00 52.01 O ATOM 184 CB LEU A 13 5.639 11.913 8.662 1.00 52.10 C ATOM 185 CG LEU A 13 5.011 13.255 9.039 1.00 65.42 C ATOM 186 CD1 LEU A 13 6.040 14.160 9.699 1.00 63.14 C ATOM 187 CD2 LEU A 13 4.416 13.929 7.811 1.00 74.32 C ATOM 0 H LEU A 13 6.560 9.420 8.631 1.00 5.43 H new ATOM 0 HA LEU A 13 6.995 11.806 10.327 1.00 13.13 H new ATOM 0 HB2 LEU A 13 6.381 12.088 7.883 1.00 52.10 H new ATOM 0 HB3 LEU A 13 4.864 11.281 8.229 1.00 52.10 H new ATOM 0 HG LEU A 13 4.208 13.070 9.753 1.00 65.42 H new ATOM 0 HD11 LEU A 13 5.574 15.110 9.960 1.00 63.14 H new ATOM 0 HD12 LEU A 13 6.419 13.682 10.602 1.00 63.14 H new ATOM 0 HD13 LEU A 13 6.865 14.338 9.009 1.00 63.14 H new ATOM 0 HD21 LEU A 13 3.973 14.883 8.098 1.00 74.32 H new ATOM 0 HD22 LEU A 13 5.201 14.100 7.074 1.00 74.32 H new ATOM 0 HD23 LEU A 13 3.647 13.287 7.380 1.00 74.32 H new ATOM 199 N ALA A 14 5.040 11.431 11.848 1.00 4.33 N ATOM 200 CA ALA A 14 4.056 11.082 12.865 1.00 0.43 C ATOM 201 C ALA A 14 2.933 12.112 12.919 1.00 12.44 C ATOM 202 O ALA A 14 3.170 13.289 13.189 1.00 11.22 O ATOM 203 CB ALA A 14 4.724 10.956 14.225 1.00 64.04 C ATOM 0 H ALA A 14 5.535 12.306 12.023 1.00 4.33 H new ATOM 0 HA ALA A 14 3.619 10.120 12.597 1.00 0.43 H new ATOM 0 HB1 ALA A 14 3.977 10.695 14.975 1.00 64.04 H new ATOM 0 HB2 ALA A 14 5.486 10.177 14.185 1.00 64.04 H new ATOM 0 HB3 ALA A 14 5.189 11.905 14.491 1.00 64.04 H new ATOM 209 N ASP A 15 1.710 11.661 12.659 1.00 65.30 N ATOM 210 CA ASP A 15 0.550 12.544 12.678 1.00 72.30 C ATOM 211 C ASP A 15 0.455 13.289 14.006 1.00 63.24 C ATOM 212 O ASP A 15 1.200 13.002 14.943 1.00 34.20 O ATOM 213 CB ASP A 15 -0.731 11.744 12.436 1.00 51.21 C ATOM 214 CG ASP A 15 -0.840 10.537 13.347 1.00 32.32 C ATOM 215 OD1 ASP A 15 -0.218 10.553 14.429 1.00 34.31 O ATOM 216 OD2 ASP A 15 -1.547 9.576 12.977 1.00 20.14 O ATOM 0 H ASP A 15 1.497 10.689 12.433 1.00 65.30 H new ATOM 0 HA ASP A 15 0.669 13.276 11.879 1.00 72.30 H new ATOM 0 HB2 ASP A 15 -1.595 12.391 12.590 1.00 51.21 H new ATOM 0 HB3 ASP A 15 -0.760 11.415 11.397 1.00 51.21 H new ATOM 221 N ALA A 16 -0.464 14.245 14.079 1.00 23.43 N ATOM 222 CA ALA A 16 -0.656 15.030 15.292 1.00 41.23 C ATOM 223 C ALA A 16 -0.919 14.128 16.493 1.00 35.52 C ATOM 224 O ALA A 16 -0.597 14.479 17.628 1.00 21.11 O ATOM 225 CB ALA A 16 -1.801 16.015 15.108 1.00 1.14 C ATOM 0 H ALA A 16 -1.088 14.495 13.312 1.00 23.43 H new ATOM 0 HA ALA A 16 0.261 15.588 15.483 1.00 41.23 H new ATOM 0 HB1 ALA A 16 -1.933 16.594 16.022 1.00 1.14 H new ATOM 0 HB2 ALA A 16 -1.573 16.688 14.281 1.00 1.14 H new ATOM 0 HB3 ALA A 16 -2.719 15.469 14.889 1.00 1.14 H new ATOM 231 N HIS A 17 -1.508 12.964 16.235 1.00 71.30 N ATOM 232 CA HIS A 17 -1.814 12.012 17.297 1.00 11.15 C ATOM 233 C HIS A 17 -0.549 11.608 18.047 1.00 74.52 C ATOM 234 O HIS A 17 -0.490 11.692 19.275 1.00 64.43 O ATOM 235 CB HIS A 17 -2.495 10.771 16.717 1.00 24.42 C ATOM 236 CG HIS A 17 -3.689 10.322 17.500 1.00 14.24 C ATOM 237 ND1 HIS A 17 -4.986 10.554 17.094 1.00 1.21 N ATOM 238 CD2 HIS A 17 -3.778 9.648 18.671 1.00 21.23 C ATOM 239 CE1 HIS A 17 -5.821 10.044 17.983 1.00 10.33 C ATOM 240 NE2 HIS A 17 -5.113 9.488 18.949 1.00 65.11 N ATOM 0 H HIS A 17 -1.782 12.658 15.301 1.00 71.30 H new ATOM 0 HA HIS A 17 -2.492 12.496 18.000 1.00 11.15 H new ATOM 0 HB2 HIS A 17 -2.801 10.980 15.692 1.00 24.42 H new ATOM 0 HB3 HIS A 17 -1.772 9.957 16.674 1.00 24.42 H new ATOM 0 HD2 HIS A 17 -2.952 9.301 19.274 1.00 21.23 H new ATOM 0 HE1 HIS A 17 -6.899 10.077 17.928 1.00 10.33 H new ATOM 0 HE2 HIS A 17 -5.496 9.016 19.768 1.00 65.11 H new ATOM 248 N LEU A 18 0.461 11.170 17.303 1.00 12.34 N ATOM 249 CA LEU A 18 1.725 10.753 17.898 1.00 13.25 C ATOM 250 C LEU A 18 2.445 11.938 18.534 1.00 52.23 C ATOM 251 O LEU A 18 3.221 11.774 19.475 1.00 63.35 O ATOM 252 CB LEU A 18 2.620 10.105 16.840 1.00 21.23 C ATOM 253 CG LEU A 18 2.946 8.627 17.050 1.00 50.33 C ATOM 254 CD1 LEU A 18 3.829 8.109 15.925 1.00 21.21 C ATOM 255 CD2 LEU A 18 3.620 8.416 18.398 1.00 14.10 C ATOM 0 H LEU A 18 0.429 11.095 16.286 1.00 12.34 H new ATOM 0 HA LEU A 18 1.508 10.023 18.678 1.00 13.25 H new ATOM 0 HB2 LEU A 18 2.138 10.216 15.869 1.00 21.23 H new ATOM 0 HB3 LEU A 18 3.557 10.660 16.796 1.00 21.23 H new ATOM 0 HG LEU A 18 2.012 8.065 17.040 1.00 50.33 H new ATOM 0 HD11 LEU A 18 4.050 7.055 16.092 1.00 21.21 H new ATOM 0 HD12 LEU A 18 3.311 8.224 14.973 1.00 21.21 H new ATOM 0 HD13 LEU A 18 4.760 8.676 15.902 1.00 21.21 H new ATOM 0 HD21 LEU A 18 3.845 7.358 18.531 1.00 14.10 H new ATOM 0 HD22 LEU A 18 4.545 8.991 18.436 1.00 14.10 H new ATOM 0 HD23 LEU A 18 2.953 8.748 19.194 1.00 14.10 H new ATOM 267 N THR A 19 2.181 13.132 18.014 1.00 31.14 N ATOM 268 CA THR A 19 2.802 14.345 18.531 1.00 13.31 C ATOM 269 C THR A 19 2.184 14.754 19.863 1.00 72.43 C ATOM 270 O THR A 19 2.822 15.425 20.675 1.00 71.21 O ATOM 271 CB THR A 19 2.668 15.513 17.536 1.00 72.13 C ATOM 272 OG1 THR A 19 3.163 15.122 16.251 1.00 41.54 O ATOM 273 CG2 THR A 19 3.430 16.734 18.029 1.00 25.24 C ATOM 0 H THR A 19 1.541 13.285 17.235 1.00 31.14 H new ATOM 0 HA THR A 19 3.859 14.121 18.677 1.00 13.31 H new ATOM 0 HB THR A 19 1.612 15.772 17.454 1.00 72.13 H new ATOM 0 HG1 THR A 19 2.546 14.478 15.845 1.00 41.54 H new ATOM 0 HG21 THR A 19 3.321 17.546 17.310 1.00 25.24 H new ATOM 0 HG22 THR A 19 3.030 17.047 18.994 1.00 25.24 H new ATOM 0 HG23 THR A 19 4.486 16.485 18.137 1.00 25.24 H new ATOM 281 N LYS A 20 0.939 14.346 20.083 1.00 23.41 N ATOM 282 CA LYS A 20 0.235 14.669 21.319 1.00 14.11 C ATOM 283 C LYS A 20 1.048 14.240 22.536 1.00 20.44 C ATOM 284 O LYS A 20 1.314 15.043 23.431 1.00 72.32 O ATOM 285 CB LYS A 20 -1.135 13.986 21.342 1.00 65.11 C ATOM 286 CG LYS A 20 -2.233 14.847 21.942 1.00 5.31 C ATOM 287 CD LYS A 20 -3.197 14.021 22.777 1.00 43.42 C ATOM 288 CE LYS A 20 -4.643 14.383 22.480 1.00 75.35 C ATOM 289 NZ LYS A 20 -5.084 13.867 21.155 1.00 34.43 N ATOM 0 H LYS A 20 0.396 13.791 19.421 1.00 23.41 H new ATOM 0 HA LYS A 20 0.097 15.750 21.358 1.00 14.11 H new ATOM 0 HB2 LYS A 20 -1.413 13.714 20.324 1.00 65.11 H new ATOM 0 HB3 LYS A 20 -1.060 13.059 21.910 1.00 65.11 H new ATOM 0 HG2 LYS A 20 -1.788 15.625 22.562 1.00 5.31 H new ATOM 0 HG3 LYS A 20 -2.780 15.349 21.144 1.00 5.31 H new ATOM 0 HD2 LYS A 20 -3.038 12.961 22.577 1.00 43.42 H new ATOM 0 HD3 LYS A 20 -2.991 14.180 23.836 1.00 43.42 H new ATOM 0 HE2 LYS A 20 -5.287 13.977 23.260 1.00 75.35 H new ATOM 0 HE3 LYS A 20 -4.758 15.467 22.504 1.00 75.35 H new ATOM 0 HZ1 LYS A 20 -6.101 14.046 21.034 1.00 34.43 H new ATOM 0 HZ2 LYS A 20 -4.555 14.350 20.401 1.00 34.43 H new ATOM 0 HZ3 LYS A 20 -4.904 12.844 21.103 1.00 34.43 H new ATOM 303 N LYS A 21 1.443 12.972 22.563 1.00 32.24 N ATOM 304 CA LYS A 21 2.229 12.438 23.668 1.00 74.44 C ATOM 305 C LYS A 21 3.570 13.155 23.779 1.00 41.52 C ATOM 306 O LYS A 21 4.061 13.410 24.880 1.00 51.45 O ATOM 307 CB LYS A 21 2.455 10.936 23.481 1.00 2.32 C ATOM 308 CG LYS A 21 2.986 10.568 22.107 1.00 3.42 C ATOM 309 CD LYS A 21 3.346 9.093 22.023 1.00 34.42 C ATOM 310 CE LYS A 21 4.766 8.838 22.504 1.00 13.22 C ATOM 311 NZ LYS A 21 4.790 8.150 23.823 1.00 61.42 N ATOM 0 H LYS A 21 1.231 12.294 21.831 1.00 32.24 H new ATOM 0 HA LYS A 21 1.672 12.603 24.590 1.00 74.44 H new ATOM 0 HB2 LYS A 21 3.156 10.585 24.238 1.00 2.32 H new ATOM 0 HB3 LYS A 21 1.515 10.412 23.650 1.00 2.32 H new ATOM 0 HG2 LYS A 21 2.237 10.804 21.351 1.00 3.42 H new ATOM 0 HG3 LYS A 21 3.866 11.171 21.883 1.00 3.42 H new ATOM 0 HD2 LYS A 21 2.647 8.512 22.625 1.00 34.42 H new ATOM 0 HD3 LYS A 21 3.242 8.750 20.994 1.00 34.42 H new ATOM 0 HE2 LYS A 21 5.295 8.232 21.769 1.00 13.22 H new ATOM 0 HE3 LYS A 21 5.300 9.786 22.579 1.00 13.22 H new ATOM 0 HZ1 LYS A 21 5.776 7.995 24.116 1.00 61.42 H new ATOM 0 HZ2 LYS A 21 4.308 8.740 24.531 1.00 61.42 H new ATOM 0 HZ3 LYS A 21 4.303 7.234 23.746 1.00 61.42 H new ATOM 325 N LEU A 22 4.159 13.479 22.633 1.00 20.33 N ATOM 326 CA LEU A 22 5.443 14.170 22.601 1.00 61.21 C ATOM 327 C LEU A 22 5.331 15.558 23.225 1.00 5.51 C ATOM 328 O LEU A 22 6.229 16.003 23.941 1.00 54.12 O ATOM 329 CB LEU A 22 5.949 14.283 21.162 1.00 34.31 C ATOM 330 CG LEU A 22 7.247 15.066 20.966 1.00 32.13 C ATOM 331 CD1 LEU A 22 8.448 14.139 21.061 1.00 41.23 C ATOM 332 CD2 LEU A 22 7.236 15.792 19.628 1.00 11.21 C ATOM 0 H LEU A 22 3.768 13.274 21.714 1.00 20.33 H new ATOM 0 HA LEU A 22 6.156 13.587 23.184 1.00 61.21 H new ATOM 0 HB2 LEU A 22 6.092 13.277 20.769 1.00 34.31 H new ATOM 0 HB3 LEU A 22 5.171 14.752 20.560 1.00 34.31 H new ATOM 0 HG LEU A 22 7.323 15.810 21.759 1.00 32.13 H new ATOM 0 HD11 LEU A 22 9.363 14.714 20.919 1.00 41.23 H new ATOM 0 HD12 LEU A 22 8.465 13.666 22.043 1.00 41.23 H new ATOM 0 HD13 LEU A 22 8.378 13.372 20.290 1.00 41.23 H new ATOM 0 HD21 LEU A 22 8.168 16.344 19.506 1.00 11.21 H new ATOM 0 HD22 LEU A 22 7.136 15.066 18.821 1.00 11.21 H new ATOM 0 HD23 LEU A 22 6.396 16.486 19.598 1.00 11.21 H new ATOM 344 N LEU A 23 4.224 16.237 22.947 1.00 10.33 N ATOM 345 CA LEU A 23 3.993 17.575 23.482 1.00 51.11 C ATOM 346 C LEU A 23 4.122 17.584 25.002 1.00 43.42 C ATOM 347 O LEU A 23 4.799 18.439 25.572 1.00 41.23 O ATOM 348 CB LEU A 23 2.606 18.076 23.074 1.00 45.21 C ATOM 349 CG LEU A 23 2.576 19.160 21.996 1.00 34.32 C ATOM 350 CD1 LEU A 23 2.980 18.585 20.648 1.00 43.11 C ATOM 351 CD2 LEU A 23 1.193 19.793 21.915 1.00 51.35 C ATOM 0 H LEU A 23 3.472 15.884 22.355 1.00 10.33 H new ATOM 0 HA LEU A 23 4.750 18.241 23.068 1.00 51.11 H new ATOM 0 HB2 LEU A 23 2.023 17.225 22.722 1.00 45.21 H new ATOM 0 HB3 LEU A 23 2.104 18.460 23.962 1.00 45.21 H new ATOM 0 HG LEU A 23 3.294 19.934 22.267 1.00 34.32 H new ATOM 0 HD11 LEU A 23 2.953 19.372 19.894 1.00 43.11 H new ATOM 0 HD12 LEU A 23 3.990 18.180 20.713 1.00 43.11 H new ATOM 0 HD13 LEU A 23 2.288 17.791 20.369 1.00 43.11 H new ATOM 0 HD21 LEU A 23 1.190 20.562 21.143 1.00 51.35 H new ATOM 0 HD22 LEU A 23 0.457 19.028 21.668 1.00 51.35 H new ATOM 0 HD23 LEU A 23 0.942 20.242 22.876 1.00 51.35 H new ATOM 363 N ASP A 24 3.471 16.625 25.651 1.00 71.21 N ATOM 364 CA ASP A 24 3.515 16.520 27.105 1.00 42.35 C ATOM 365 C ASP A 24 4.860 15.967 27.569 1.00 21.20 C ATOM 366 O ASP A 24 5.309 16.251 28.680 1.00 70.30 O ATOM 367 CB ASP A 24 2.382 15.626 27.608 1.00 53.33 C ATOM 368 CG ASP A 24 1.850 16.068 28.957 1.00 21.23 C ATOM 369 OD1 ASP A 24 2.671 16.380 29.844 1.00 11.33 O ATOM 370 OD2 ASP A 24 0.612 16.101 29.126 1.00 22.03 O ATOM 0 H ASP A 24 2.907 15.909 25.193 1.00 71.21 H new ATOM 0 HA ASP A 24 3.390 17.520 27.521 1.00 42.35 H new ATOM 0 HB2 ASP A 24 1.570 15.631 26.881 1.00 53.33 H new ATOM 0 HB3 ASP A 24 2.739 14.599 27.680 1.00 53.33 H new ATOM 375 N LEU A 25 5.496 15.177 26.712 1.00 63.10 N ATOM 376 CA LEU A 25 6.789 14.583 27.033 1.00 32.11 C ATOM 377 C LEU A 25 7.878 15.649 27.093 1.00 61.21 C ATOM 378 O LEU A 25 8.888 15.483 27.777 1.00 2.04 O ATOM 379 CB LEU A 25 7.156 13.521 25.997 1.00 43.43 C ATOM 380 CG LEU A 25 8.395 12.678 26.308 1.00 35.23 C ATOM 381 CD1 LEU A 25 8.297 12.082 27.703 1.00 40.53 C ATOM 382 CD2 LEU A 25 8.570 11.583 25.267 1.00 71.14 C ATOM 0 H LEU A 25 5.137 14.933 25.789 1.00 63.10 H new ATOM 0 HA LEU A 25 6.712 14.113 28.014 1.00 32.11 H new ATOM 0 HB2 LEU A 25 6.305 12.850 25.877 1.00 43.43 H new ATOM 0 HB3 LEU A 25 7.309 14.016 25.038 1.00 43.43 H new ATOM 0 HG LEU A 25 9.271 13.326 26.273 1.00 35.23 H new ATOM 0 HD11 LEU A 25 9.186 11.486 27.907 1.00 40.53 H new ATOM 0 HD12 LEU A 25 8.222 12.884 28.437 1.00 40.53 H new ATOM 0 HD13 LEU A 25 7.413 11.448 27.766 1.00 40.53 H new ATOM 0 HD21 LEU A 25 9.456 10.994 25.504 1.00 71.14 H new ATOM 0 HD22 LEU A 25 7.693 10.936 25.268 1.00 71.14 H new ATOM 0 HD23 LEU A 25 8.687 12.033 24.281 1.00 71.14 H new ATOM 394 N VAL A 26 7.665 16.746 26.374 1.00 23.15 N ATOM 395 CA VAL A 26 8.626 17.843 26.347 1.00 44.13 C ATOM 396 C VAL A 26 8.366 18.829 27.480 1.00 63.43 C ATOM 397 O VAL A 26 9.301 19.366 28.074 1.00 73.10 O ATOM 398 CB VAL A 26 8.583 18.596 25.005 1.00 14.41 C ATOM 399 CG1 VAL A 26 9.574 19.749 25.006 1.00 40.35 C ATOM 400 CG2 VAL A 26 8.860 17.644 23.851 1.00 13.24 C ATOM 0 H VAL A 26 6.835 16.899 25.802 1.00 23.15 H new ATOM 0 HA VAL A 26 9.614 17.401 26.474 1.00 44.13 H new ATOM 0 HB VAL A 26 7.583 19.010 24.873 1.00 14.41 H new ATOM 0 HG11 VAL A 26 9.529 20.269 24.049 1.00 40.35 H new ATOM 0 HG12 VAL A 26 9.324 20.443 25.808 1.00 40.35 H new ATOM 0 HG13 VAL A 26 10.581 19.363 25.162 1.00 40.35 H new ATOM 0 HG21 VAL A 26 8.826 18.193 22.910 1.00 13.24 H new ATOM 0 HG22 VAL A 26 9.847 17.199 23.976 1.00 13.24 H new ATOM 0 HG23 VAL A 26 8.106 16.857 23.840 1.00 13.24 H new ATOM 410 N GLN A 27 7.091 19.062 27.774 1.00 21.03 N ATOM 411 CA GLN A 27 6.709 19.985 28.835 1.00 72.22 C ATOM 412 C GLN A 27 7.370 19.601 30.155 1.00 15.54 C ATOM 413 O GLN A 27 7.655 20.459 30.989 1.00 53.03 O ATOM 414 CB GLN A 27 5.188 20.005 29.000 1.00 14.31 C ATOM 415 CG GLN A 27 4.637 21.360 29.410 1.00 63.42 C ATOM 416 CD GLN A 27 3.127 21.363 29.539 1.00 31.33 C ATOM 417 OE1 GLN A 27 2.444 22.208 28.959 1.00 3.01 O ATOM 418 NE2 GLN A 27 2.597 20.415 30.302 1.00 34.10 N ATOM 0 H GLN A 27 6.306 18.624 27.292 1.00 21.03 H new ATOM 0 HA GLN A 27 7.050 20.982 28.555 1.00 72.22 H new ATOM 0 HB2 GLN A 27 4.725 19.704 28.060 1.00 14.31 H new ATOM 0 HB3 GLN A 27 4.903 19.265 29.748 1.00 14.31 H new ATOM 0 HG2 GLN A 27 5.079 21.655 30.362 1.00 63.42 H new ATOM 0 HG3 GLN A 27 4.936 22.107 28.675 1.00 63.42 H new ATOM 0 HE21 GLN A 27 3.201 19.735 30.764 1.00 34.10 H new ATOM 0 HE22 GLN A 27 1.586 20.366 30.426 1.00 34.10 H new ATOM 427 N GLN A 28 7.611 18.306 30.336 1.00 13.30 N ATOM 428 CA GLN A 28 8.237 17.809 31.554 1.00 73.42 C ATOM 429 C GLN A 28 9.733 18.101 31.556 1.00 65.04 C ATOM 430 O GLN A 28 10.336 18.303 32.610 1.00 42.33 O ATOM 431 CB GLN A 28 7.999 16.306 31.699 1.00 41.55 C ATOM 432 CG GLN A 28 6.702 15.959 32.413 1.00 33.44 C ATOM 433 CD GLN A 28 6.412 14.472 32.410 1.00 41.41 C ATOM 434 OE1 GLN A 28 6.661 13.782 31.421 1.00 1.11 O ATOM 435 NE2 GLN A 28 5.882 13.969 33.518 1.00 61.22 N ATOM 0 H GLN A 28 7.382 17.583 29.654 1.00 13.30 H new ATOM 0 HA GLN A 28 7.784 18.325 32.401 1.00 73.42 H new ATOM 0 HB2 GLN A 28 7.991 15.851 30.709 1.00 41.55 H new ATOM 0 HB3 GLN A 28 8.833 15.866 32.245 1.00 41.55 H new ATOM 0 HG2 GLN A 28 6.753 16.313 33.443 1.00 33.44 H new ATOM 0 HG3 GLN A 28 5.877 16.487 31.935 1.00 33.44 H new ATOM 0 HE21 GLN A 28 5.692 14.578 34.314 1.00 61.22 H new ATOM 0 HE22 GLN A 28 5.665 12.974 33.573 1.00 61.22 H new ATOM 444 N SER A 29 10.328 18.122 30.367 1.00 42.23 N ATOM 445 CA SER A 29 11.756 18.386 30.231 1.00 51.33 C ATOM 446 C SER A 29 12.146 19.663 30.967 1.00 74.33 C ATOM 447 O SER A 29 13.055 19.662 31.798 1.00 40.44 O ATOM 448 CB SER A 29 12.137 18.499 28.753 1.00 22.21 C ATOM 449 OG SER A 29 13.231 17.654 28.442 1.00 2.14 O ATOM 0 H SER A 29 9.843 17.959 29.484 1.00 42.23 H new ATOM 0 HA SER A 29 12.298 17.552 30.676 1.00 51.33 H new ATOM 0 HB2 SER A 29 11.281 18.234 28.132 1.00 22.21 H new ATOM 0 HB3 SER A 29 12.393 19.532 28.518 1.00 22.21 H new ATOM 0 HG SER A 29 13.454 17.744 27.492 1.00 2.14 H new ATOM 455 N CYS A 30 11.451 20.752 30.658 1.00 0.12 N ATOM 456 CA CYS A 30 11.723 22.039 31.289 1.00 42.34 C ATOM 457 C CYS A 30 11.447 21.978 32.788 1.00 61.20 C ATOM 458 O CYS A 30 12.027 22.733 33.567 1.00 74.12 O ATOM 459 CB CYS A 30 10.875 23.136 30.646 1.00 62.32 C ATOM 460 SG CYS A 30 9.142 23.129 31.164 1.00 64.41 S ATOM 0 H CYS A 30 10.695 20.770 29.974 1.00 0.12 H new ATOM 0 HA CYS A 30 12.777 22.273 31.141 1.00 42.34 H new ATOM 0 HB2 CYS A 30 11.311 24.106 30.887 1.00 62.32 H new ATOM 0 HB3 CYS A 30 10.920 23.027 29.562 1.00 62.32 H new ATOM 0 HG CYS A 30 8.630 21.953 30.951 1.00 64.41 H new ATOM 466 N ASN A 31 10.555 21.075 33.184 1.00 4.22 N ATOM 467 CA ASN A 31 10.200 20.916 34.589 1.00 21.55 C ATOM 468 C ASN A 31 11.376 20.367 35.390 1.00 63.11 C ATOM 469 O ASN A 31 11.475 20.585 36.598 1.00 61.03 O ATOM 470 CB ASN A 31 8.993 19.986 34.730 1.00 62.33 C ATOM 471 CG ASN A 31 8.090 20.382 35.882 1.00 13.42 C ATOM 472 OD1 ASN A 31 8.529 21.016 36.842 1.00 41.44 O ATOM 473 ND2 ASN A 31 6.818 20.008 35.792 1.00 44.45 N ATOM 0 H ASN A 31 10.065 20.443 32.551 1.00 4.22 H new ATOM 0 HA ASN A 31 9.942 21.898 34.985 1.00 21.55 H new ATOM 0 HB2 ASN A 31 8.420 19.996 33.803 1.00 62.33 H new ATOM 0 HB3 ASN A 31 9.341 18.964 34.879 1.00 62.33 H new ATOM 0 HD21 ASN A 31 6.163 20.245 36.537 1.00 44.45 H new ATOM 0 HD22 ASN A 31 6.497 19.484 34.978 1.00 44.45 H new ATOM 480 N TYR A 32 12.267 19.656 34.708 1.00 73.15 N ATOM 481 CA TYR A 32 13.437 19.073 35.356 1.00 53.11 C ATOM 482 C TYR A 32 14.639 20.006 35.252 1.00 33.44 C ATOM 483 O TYR A 32 15.778 19.600 35.476 1.00 54.15 O ATOM 484 CB TYR A 32 13.772 17.719 34.727 1.00 25.52 C ATOM 485 CG TYR A 32 14.039 16.630 35.741 1.00 50.22 C ATOM 486 CD1 TYR A 32 15.292 16.489 36.325 1.00 20.04 C ATOM 487 CD2 TYR A 32 13.038 15.742 36.116 1.00 25.03 C ATOM 488 CE1 TYR A 32 15.540 15.495 37.251 1.00 61.25 C ATOM 489 CE2 TYR A 32 13.277 14.746 37.042 1.00 74.41 C ATOM 490 CZ TYR A 32 14.529 14.625 37.607 1.00 30.33 C ATOM 491 OH TYR A 32 14.772 13.635 38.530 1.00 61.33 O ATOM 0 H TYR A 32 12.202 19.469 33.707 1.00 73.15 H new ATOM 0 HA TYR A 32 13.203 18.929 36.411 1.00 53.11 H new ATOM 0 HB2 TYR A 32 12.946 17.412 34.085 1.00 25.52 H new ATOM 0 HB3 TYR A 32 14.648 17.831 34.088 1.00 25.52 H new ATOM 0 HD1 TYR A 32 16.085 17.168 36.050 1.00 20.04 H new ATOM 0 HD2 TYR A 32 12.056 15.832 35.676 1.00 25.03 H new ATOM 0 HE1 TYR A 32 16.520 15.399 37.694 1.00 61.25 H new ATOM 0 HE2 TYR A 32 12.487 14.065 37.322 1.00 74.41 H new ATOM 0 HH TYR A 32 15.461 13.936 39.159 1.00 61.33 H new ATOM 501 N LYS A 33 14.374 21.263 34.911 1.00 25.13 N ATOM 502 CA LYS A 33 15.432 22.259 34.778 1.00 0.23 C ATOM 503 C LYS A 33 16.391 21.887 33.652 1.00 23.23 C ATOM 504 O LYS A 33 17.588 22.161 33.728 1.00 74.44 O ATOM 505 CB LYS A 33 16.202 22.393 36.094 1.00 2.21 C ATOM 506 CG LYS A 33 15.305 22.478 37.317 1.00 22.51 C ATOM 507 CD LYS A 33 16.095 22.847 38.562 1.00 73.03 C ATOM 508 CE LYS A 33 15.677 24.204 39.106 1.00 20.24 C ATOM 509 NZ LYS A 33 15.684 24.232 40.595 1.00 30.21 N ATOM 0 H LYS A 33 13.436 21.616 34.722 1.00 25.13 H new ATOM 0 HA LYS A 33 14.968 23.215 34.536 1.00 0.23 H new ATOM 0 HB2 LYS A 33 16.871 21.539 36.203 1.00 2.21 H new ATOM 0 HB3 LYS A 33 16.828 23.284 36.050 1.00 2.21 H new ATOM 0 HG2 LYS A 33 14.525 23.220 37.147 1.00 22.51 H new ATOM 0 HG3 LYS A 33 14.807 21.521 37.471 1.00 22.51 H new ATOM 0 HD2 LYS A 33 15.946 22.085 39.328 1.00 73.03 H new ATOM 0 HD3 LYS A 33 17.160 22.860 38.328 1.00 73.03 H new ATOM 0 HE2 LYS A 33 16.351 24.971 38.725 1.00 20.24 H new ATOM 0 HE3 LYS A 33 14.679 24.449 38.743 1.00 20.24 H new ATOM 0 HZ1 LYS A 33 15.393 25.174 40.926 1.00 30.21 H new ATOM 0 HZ2 LYS A 33 15.021 23.518 40.959 1.00 30.21 H new ATOM 0 HZ3 LYS A 33 16.642 24.024 40.942 1.00 30.21 H new ATOM 523 N GLN A 34 15.856 21.264 32.606 1.00 34.51 N ATOM 524 CA GLN A 34 16.665 20.857 31.464 1.00 41.03 C ATOM 525 C GLN A 34 15.885 21.008 30.163 1.00 1.12 C ATOM 526 O GLN A 34 14.724 20.609 30.072 1.00 33.11 O ATOM 527 CB GLN A 34 17.127 19.408 31.631 1.00 4.54 C ATOM 528 CG GLN A 34 15.985 18.425 31.835 1.00 22.22 C ATOM 529 CD GLN A 34 15.484 17.835 30.531 1.00 72.33 C ATOM 530 OE1 GLN A 34 15.835 18.303 29.448 1.00 22.13 O ATOM 531 NE2 GLN A 34 14.658 16.799 30.630 1.00 4.14 N ATOM 0 H GLN A 34 14.866 21.031 32.527 1.00 34.51 H new ATOM 0 HA GLN A 34 17.539 21.507 31.419 1.00 41.03 H new ATOM 0 HB2 GLN A 34 17.696 19.113 30.749 1.00 4.54 H new ATOM 0 HB3 GLN A 34 17.804 19.347 32.483 1.00 4.54 H new ATOM 0 HG2 GLN A 34 16.316 17.620 32.490 1.00 22.22 H new ATOM 0 HG3 GLN A 34 15.162 18.930 32.341 1.00 22.22 H new ATOM 0 HE21 GLN A 34 14.394 16.444 31.549 1.00 4.14 H new ATOM 0 HE22 GLN A 34 14.288 16.359 29.787 1.00 4.14 H new ATOM 540 N LEU A 35 16.530 21.588 29.156 1.00 42.53 N ATOM 541 CA LEU A 35 15.897 21.792 27.858 1.00 12.35 C ATOM 542 C LEU A 35 16.923 22.220 26.813 1.00 34.21 C ATOM 543 O LEU A 35 18.077 22.494 27.138 1.00 62.21 O ATOM 544 CB LEU A 35 14.793 22.845 27.967 1.00 34.24 C ATOM 545 CG LEU A 35 15.095 24.042 28.869 1.00 0.04 C ATOM 546 CD1 LEU A 35 16.195 24.901 28.266 1.00 24.44 C ATOM 547 CD2 LEU A 35 13.837 24.868 29.098 1.00 32.12 C ATOM 0 H LEU A 35 17.491 21.925 29.214 1.00 42.53 H new ATOM 0 HA LEU A 35 15.458 20.846 27.543 1.00 12.35 H new ATOM 0 HB2 LEU A 35 14.572 23.216 26.966 1.00 34.24 H new ATOM 0 HB3 LEU A 35 13.889 22.358 28.333 1.00 34.24 H new ATOM 0 HG LEU A 35 15.441 23.668 29.832 1.00 0.04 H new ATOM 0 HD11 LEU A 35 16.396 25.748 28.922 1.00 24.44 H new ATOM 0 HD12 LEU A 35 17.101 24.306 28.154 1.00 24.44 H new ATOM 0 HD13 LEU A 35 15.877 25.266 27.289 1.00 24.44 H new ATOM 0 HD21 LEU A 35 14.071 25.716 29.742 1.00 32.12 H new ATOM 0 HD22 LEU A 35 13.461 25.232 28.142 1.00 32.12 H new ATOM 0 HD23 LEU A 35 13.077 24.249 29.575 1.00 32.12 H new ATOM 559 N ARG A 36 16.491 22.279 25.557 1.00 71.21 N ATOM 560 CA ARG A 36 17.371 22.676 24.465 1.00 51.40 C ATOM 561 C ARG A 36 16.577 22.903 23.182 1.00 51.11 C ATOM 562 O ARG A 36 15.943 21.986 22.661 1.00 12.54 O ATOM 563 CB ARG A 36 18.442 21.609 24.232 1.00 45.02 C ATOM 564 CG ARG A 36 19.848 22.174 24.115 1.00 5.51 C ATOM 565 CD ARG A 36 20.495 22.346 25.479 1.00 70.31 C ATOM 566 NE ARG A 36 21.951 22.256 25.411 1.00 22.32 N ATOM 567 CZ ARG A 36 22.758 22.609 26.406 1.00 52.35 C ATOM 568 NH1 ARG A 36 22.252 23.071 27.541 1.00 43.31 N ATOM 569 NH2 ARG A 36 24.073 22.497 26.268 1.00 2.13 N ATOM 0 H ARG A 36 15.537 22.057 25.271 1.00 71.21 H new ATOM 0 HA ARG A 36 17.854 23.612 24.743 1.00 51.40 H new ATOM 0 HB2 ARG A 36 18.414 20.893 25.053 1.00 45.02 H new ATOM 0 HB3 ARG A 36 18.203 21.059 23.322 1.00 45.02 H new ATOM 0 HG2 ARG A 36 20.458 21.510 23.503 1.00 5.51 H new ATOM 0 HG3 ARG A 36 19.813 23.136 23.604 1.00 5.51 H new ATOM 0 HD2 ARG A 36 20.211 23.312 25.895 1.00 70.31 H new ATOM 0 HD3 ARG A 36 20.116 21.582 26.158 1.00 70.31 H new ATOM 0 HE ARG A 36 22.372 21.902 24.552 1.00 22.32 H new ATOM 0 HH11 ARG A 36 21.242 23.156 27.652 1.00 43.31 H new ATOM 0 HH12 ARG A 36 22.873 23.341 28.304 1.00 43.31 H new ATOM 0 HH21 ARG A 36 24.466 22.140 25.397 1.00 2.13 H new ATOM 0 HH22 ARG A 36 24.691 22.768 27.033 1.00 2.13 H new ATOM 583 N LYS A 37 16.615 24.132 22.678 1.00 53.04 N ATOM 584 CA LYS A 37 15.901 24.482 21.456 1.00 53.34 C ATOM 585 C LYS A 37 16.843 25.113 20.436 1.00 51.43 C ATOM 586 O LYS A 37 16.919 26.335 20.320 1.00 74.03 O ATOM 587 CB LYS A 37 14.753 25.444 21.770 1.00 35.21 C ATOM 588 CG LYS A 37 13.843 24.962 22.886 1.00 72.23 C ATOM 589 CD LYS A 37 14.339 25.421 24.248 1.00 44.20 C ATOM 590 CE LYS A 37 13.565 26.632 24.744 1.00 73.14 C ATOM 591 NZ LYS A 37 13.908 26.970 26.154 1.00 15.54 N ATOM 0 H LYS A 37 17.134 24.903 23.098 1.00 53.04 H new ATOM 0 HA LYS A 37 15.493 23.566 21.028 1.00 53.34 H new ATOM 0 HB2 LYS A 37 15.168 26.414 22.044 1.00 35.21 H new ATOM 0 HB3 LYS A 37 14.160 25.595 20.868 1.00 35.21 H new ATOM 0 HG2 LYS A 37 12.833 25.337 22.720 1.00 72.23 H new ATOM 0 HG3 LYS A 37 13.787 23.874 22.866 1.00 72.23 H new ATOM 0 HD2 LYS A 37 14.241 24.606 24.966 1.00 44.20 H new ATOM 0 HD3 LYS A 37 15.399 25.666 24.187 1.00 44.20 H new ATOM 0 HE2 LYS A 37 13.779 27.487 24.103 1.00 73.14 H new ATOM 0 HE3 LYS A 37 12.496 26.436 24.667 1.00 73.14 H new ATOM 0 HZ1 LYS A 37 13.043 27.230 26.669 1.00 15.54 H new ATOM 0 HZ2 LYS A 37 14.348 26.146 26.611 1.00 15.54 H new ATOM 0 HZ3 LYS A 37 14.573 27.770 26.167 1.00 15.54 H new ATOM 605 N GLY A 38 17.558 24.270 19.696 1.00 75.44 N ATOM 606 CA GLY A 38 18.485 24.765 18.695 1.00 51.12 C ATOM 607 C GLY A 38 19.071 23.652 17.849 1.00 23.31 C ATOM 608 O GLY A 38 19.332 22.557 18.346 1.00 51.41 O ATOM 0 H GLY A 38 17.512 23.254 19.772 1.00 75.44 H new ATOM 0 HA2 GLY A 38 17.972 25.477 18.049 1.00 51.12 H new ATOM 0 HA3 GLY A 38 19.292 25.307 19.188 1.00 51.12 H new ATOM 612 N ALA A 39 19.278 23.933 16.567 1.00 45.12 N ATOM 613 CA ALA A 39 19.838 22.948 15.650 1.00 11.23 C ATOM 614 C ALA A 39 21.345 22.814 15.840 1.00 64.41 C ATOM 615 O ALA A 39 21.904 21.728 15.698 1.00 13.20 O ATOM 616 CB ALA A 39 19.518 23.325 14.210 1.00 54.00 C ATOM 0 H ALA A 39 19.066 24.835 16.140 1.00 45.12 H new ATOM 0 HA ALA A 39 19.383 21.983 15.872 1.00 11.23 H new ATOM 0 HB1 ALA A 39 19.942 22.581 13.536 1.00 54.00 H new ATOM 0 HB2 ALA A 39 18.437 23.362 14.075 1.00 54.00 H new ATOM 0 HB3 ALA A 39 19.945 24.302 13.986 1.00 54.00 H new ATOM 622 N ASN A 40 21.997 23.926 16.164 1.00 31.34 N ATOM 623 CA ASN A 40 23.441 23.932 16.373 1.00 1.12 C ATOM 624 C ASN A 40 23.786 23.503 17.795 1.00 74.41 C ATOM 625 O ASN A 40 24.839 22.914 18.038 1.00 75.23 O ATOM 626 CB ASN A 40 24.011 25.325 16.096 1.00 43.23 C ATOM 627 CG ASN A 40 24.431 25.500 14.650 1.00 4.10 C ATOM 628 OD1 ASN A 40 25.188 24.693 14.109 1.00 30.13 O ATOM 629 ND2 ASN A 40 23.941 26.558 14.015 1.00 35.22 N ATOM 0 H ASN A 40 21.549 24.834 16.288 1.00 31.34 H new ATOM 0 HA ASN A 40 23.887 23.219 15.679 1.00 1.12 H new ATOM 0 HB2 ASN A 40 23.264 26.077 16.348 1.00 43.23 H new ATOM 0 HB3 ASN A 40 24.870 25.499 16.745 1.00 43.23 H new ATOM 0 HD21 ASN A 40 24.189 26.728 13.040 1.00 35.22 H new ATOM 0 HD22 ASN A 40 23.317 27.201 14.502 1.00 35.22 H new ATOM 636 N GLU A 41 22.890 23.802 18.732 1.00 62.45 N ATOM 637 CA GLU A 41 23.102 23.447 20.130 1.00 73.20 C ATOM 638 C GLU A 41 22.879 21.954 20.353 1.00 1.54 C ATOM 639 O GLU A 41 23.463 21.356 21.255 1.00 54.34 O ATOM 640 CB GLU A 41 22.163 24.253 21.032 1.00 24.31 C ATOM 641 CG GLU A 41 22.558 25.713 21.170 1.00 71.31 C ATOM 642 CD GLU A 41 21.731 26.628 20.287 1.00 13.43 C ATOM 643 OE1 GLU A 41 21.527 26.283 19.104 1.00 21.22 O ATOM 644 OE2 GLU A 41 21.288 27.686 20.779 1.00 14.24 O ATOM 0 H GLU A 41 22.012 24.288 18.548 1.00 62.45 H new ATOM 0 HA GLU A 41 24.135 23.685 20.385 1.00 73.20 H new ATOM 0 HB2 GLU A 41 21.151 24.195 20.632 1.00 24.31 H new ATOM 0 HB3 GLU A 41 22.142 23.796 22.021 1.00 24.31 H new ATOM 0 HG2 GLU A 41 22.445 26.019 22.210 1.00 71.31 H new ATOM 0 HG3 GLU A 41 23.612 25.826 20.917 1.00 71.31 H new ATOM 651 N ALA A 42 22.029 21.359 19.522 1.00 51.12 N ATOM 652 CA ALA A 42 21.729 19.935 19.626 1.00 24.23 C ATOM 653 C ALA A 42 23.002 19.100 19.543 1.00 11.51 C ATOM 654 O ALA A 42 23.054 17.976 20.045 1.00 34.52 O ATOM 655 CB ALA A 42 20.751 19.522 18.536 1.00 44.24 C ATOM 0 H ALA A 42 21.536 21.840 18.770 1.00 51.12 H new ATOM 0 HA ALA A 42 21.270 19.754 20.598 1.00 24.23 H new ATOM 0 HB1 ALA A 42 20.536 18.457 18.625 1.00 44.24 H new ATOM 0 HB2 ALA A 42 19.826 20.089 18.643 1.00 44.24 H new ATOM 0 HB3 ALA A 42 21.189 19.723 17.559 1.00 44.24 H new ATOM 661 N THR A 43 24.028 19.653 18.905 1.00 2.22 N ATOM 662 CA THR A 43 25.300 18.958 18.755 1.00 43.24 C ATOM 663 C THR A 43 26.057 18.903 20.077 1.00 75.22 C ATOM 664 O THR A 43 26.882 18.016 20.296 1.00 71.52 O ATOM 665 CB THR A 43 26.190 19.637 17.696 1.00 40.25 C ATOM 666 OG1 THR A 43 26.659 20.898 18.185 1.00 54.15 O ATOM 667 CG2 THR A 43 25.424 19.843 16.398 1.00 34.22 C ATOM 0 H THR A 43 24.003 20.581 18.483 1.00 2.22 H new ATOM 0 HA THR A 43 25.068 17.944 18.429 1.00 43.24 H new ATOM 0 HB THR A 43 27.042 18.986 17.498 1.00 40.25 H new ATOM 0 HG1 THR A 43 25.955 21.571 18.082 1.00 54.15 H new ATOM 0 HG21 THR A 43 26.072 20.324 15.665 1.00 34.22 H new ATOM 0 HG22 THR A 43 25.094 18.878 16.013 1.00 34.22 H new ATOM 0 HG23 THR A 43 24.556 20.475 16.584 1.00 34.22 H new ATOM 675 N LYS A 44 25.769 19.856 20.958 1.00 22.00 N ATOM 676 CA LYS A 44 26.420 19.915 22.261 1.00 22.52 C ATOM 677 C LYS A 44 26.012 18.729 23.128 1.00 33.21 C ATOM 678 O LYS A 44 26.855 18.085 23.755 1.00 13.34 O ATOM 679 CB LYS A 44 26.067 21.225 22.971 1.00 50.31 C ATOM 680 CG LYS A 44 27.281 22.047 23.368 1.00 72.40 C ATOM 681 CD LYS A 44 26.878 23.329 24.078 1.00 32.44 C ATOM 682 CE LYS A 44 27.019 23.199 25.588 1.00 2.45 C ATOM 683 NZ LYS A 44 28.333 23.709 26.067 1.00 32.01 N ATOM 0 H LYS A 44 25.089 20.598 20.793 1.00 22.00 H new ATOM 0 HA LYS A 44 27.498 19.873 22.103 1.00 22.52 H new ATOM 0 HB2 LYS A 44 25.431 21.823 22.318 1.00 50.31 H new ATOM 0 HB3 LYS A 44 25.484 20.999 23.864 1.00 50.31 H new ATOM 0 HG2 LYS A 44 27.925 21.456 24.020 1.00 72.40 H new ATOM 0 HG3 LYS A 44 27.864 22.290 22.479 1.00 72.40 H new ATOM 0 HD2 LYS A 44 27.498 24.153 23.723 1.00 32.44 H new ATOM 0 HD3 LYS A 44 25.846 23.576 23.828 1.00 32.44 H new ATOM 0 HE2 LYS A 44 26.215 23.750 26.077 1.00 2.45 H new ATOM 0 HE3 LYS A 44 26.909 22.153 25.875 1.00 2.45 H new ATOM 0 HZ1 LYS A 44 28.391 23.603 27.100 1.00 32.01 H new ATOM 0 HZ2 LYS A 44 29.100 23.167 25.620 1.00 32.01 H new ATOM 0 HZ3 LYS A 44 28.428 24.714 25.816 1.00 32.01 H new ATOM 697 N THR A 45 24.714 18.444 23.159 1.00 50.13 N ATOM 698 CA THR A 45 24.194 17.334 23.949 1.00 71.13 C ATOM 699 C THR A 45 24.907 16.032 23.604 1.00 4.33 C ATOM 700 O THR A 45 25.517 15.398 24.465 1.00 51.03 O ATOM 701 CB THR A 45 22.681 17.151 23.732 1.00 12.51 C ATOM 702 OG1 THR A 45 22.407 16.944 22.342 1.00 52.00 O ATOM 703 CG2 THR A 45 21.911 18.364 24.231 1.00 23.34 C ATOM 0 H THR A 45 24.003 18.966 22.646 1.00 50.13 H new ATOM 0 HA THR A 45 24.376 17.578 24.996 1.00 71.13 H new ATOM 0 HB THR A 45 22.358 16.278 24.299 1.00 12.51 H new ATOM 0 HG1 THR A 45 22.789 17.680 21.820 1.00 52.00 H new ATOM 0 HG21 THR A 45 20.844 18.211 24.067 1.00 23.34 H new ATOM 0 HG22 THR A 45 22.098 18.501 25.296 1.00 23.34 H new ATOM 0 HG23 THR A 45 22.238 19.251 23.688 1.00 23.34 H new ATOM 711 N LEU A 46 24.828 15.637 22.338 1.00 12.35 N ATOM 712 CA LEU A 46 25.467 14.409 21.877 1.00 2.32 C ATOM 713 C LEU A 46 26.948 14.397 22.240 1.00 22.44 C ATOM 714 O LEU A 46 27.534 13.339 22.464 1.00 75.15 O ATOM 715 CB LEU A 46 25.299 14.260 20.364 1.00 4.41 C ATOM 716 CG LEU A 46 24.388 13.124 19.898 1.00 14.20 C ATOM 717 CD1 LEU A 46 23.635 13.525 18.640 1.00 31.05 C ATOM 718 CD2 LEU A 46 25.196 11.858 19.657 1.00 41.25 C ATOM 0 H LEU A 46 24.327 16.150 21.612 1.00 12.35 H new ATOM 0 HA LEU A 46 24.983 13.568 22.374 1.00 2.32 H new ATOM 0 HB2 LEU A 46 24.909 15.197 19.968 1.00 4.41 H new ATOM 0 HB3 LEU A 46 26.284 14.113 19.922 1.00 4.41 H new ATOM 0 HG LEU A 46 23.660 12.923 20.684 1.00 14.20 H new ATOM 0 HD11 LEU A 46 22.992 12.704 18.324 1.00 31.05 H new ATOM 0 HD12 LEU A 46 23.025 14.405 18.846 1.00 31.05 H new ATOM 0 HD13 LEU A 46 24.347 13.754 17.847 1.00 31.05 H new ATOM 0 HD21 LEU A 46 24.532 11.060 19.326 1.00 41.25 H new ATOM 0 HD22 LEU A 46 25.947 12.046 18.890 1.00 41.25 H new ATOM 0 HD23 LEU A 46 25.689 11.559 20.582 1.00 41.25 H new ATOM 730 N ASN A 47 27.548 15.582 22.296 1.00 62.10 N ATOM 731 CA ASN A 47 28.962 15.708 22.633 1.00 13.41 C ATOM 732 C ASN A 47 29.194 15.429 24.115 1.00 41.31 C ATOM 733 O ASN A 47 30.240 14.909 24.502 1.00 41.11 O ATOM 734 CB ASN A 47 29.469 17.108 22.281 1.00 12.34 C ATOM 735 CG ASN A 47 30.969 17.143 22.068 1.00 43.44 C ATOM 736 OD1 ASN A 47 31.496 16.482 21.173 1.00 10.43 O ATOM 737 ND2 ASN A 47 31.666 17.916 22.894 1.00 4.33 N ATOM 0 H ASN A 47 27.078 16.468 22.113 1.00 62.10 H new ATOM 0 HA ASN A 47 29.516 14.971 22.051 1.00 13.41 H new ATOM 0 HB2 ASN A 47 28.968 17.456 21.378 1.00 12.34 H new ATOM 0 HB3 ASN A 47 29.202 17.800 23.080 1.00 12.34 H new ATOM 0 HD21 ASN A 47 32.680 17.979 22.800 1.00 4.33 H new ATOM 0 HD22 ASN A 47 31.187 18.447 23.622 1.00 4.33 H new ATOM 744 N ARG A 48 28.211 15.779 24.939 1.00 41.01 N ATOM 745 CA ARG A 48 28.309 15.567 26.378 1.00 55.14 C ATOM 746 C ARG A 48 27.950 14.128 26.741 1.00 22.23 C ATOM 747 O ARG A 48 28.378 13.613 27.773 1.00 24.12 O ATOM 748 CB ARG A 48 27.389 16.537 27.122 1.00 15.34 C ATOM 749 CG ARG A 48 28.063 17.844 27.503 1.00 1.24 C ATOM 750 CD ARG A 48 29.025 17.657 28.666 1.00 10.23 C ATOM 751 NE ARG A 48 28.389 17.932 29.952 1.00 1.01 N ATOM 752 CZ ARG A 48 29.065 18.187 31.066 1.00 62.00 C ATOM 753 NH1 ARG A 48 30.391 18.203 31.052 1.00 30.54 N ATOM 754 NH2 ARG A 48 28.416 18.428 32.198 1.00 41.55 N ATOM 0 H ARG A 48 27.338 16.210 24.634 1.00 41.01 H new ATOM 0 HA ARG A 48 29.340 15.753 26.678 1.00 55.14 H new ATOM 0 HB2 ARG A 48 26.522 16.754 26.498 1.00 15.34 H new ATOM 0 HB3 ARG A 48 27.018 16.052 28.025 1.00 15.34 H new ATOM 0 HG2 ARG A 48 28.603 18.240 26.643 1.00 1.24 H new ATOM 0 HG3 ARG A 48 27.306 18.581 27.771 1.00 1.24 H new ATOM 0 HD2 ARG A 48 29.406 16.636 28.661 1.00 10.23 H new ATOM 0 HD3 ARG A 48 29.882 18.317 28.537 1.00 10.23 H new ATOM 0 HE ARG A 48 27.370 17.928 29.997 1.00 1.01 H new ATOM 0 HH11 ARG A 48 30.894 18.019 30.184 1.00 30.54 H new ATOM 0 HH12 ARG A 48 30.908 18.399 31.909 1.00 30.54 H new ATOM 0 HH21 ARG A 48 27.396 18.418 32.213 1.00 41.55 H new ATOM 0 HH22 ARG A 48 28.937 18.624 33.053 1.00 41.55 H new ATOM 768 N GLY A 49 27.161 13.487 25.885 1.00 75.51 N ATOM 769 CA GLY A 49 26.757 12.115 26.134 1.00 45.32 C ATOM 770 C GLY A 49 25.521 12.024 27.007 1.00 43.13 C ATOM 771 O GLY A 49 25.465 11.212 27.931 1.00 70.23 O ATOM 0 H GLY A 49 26.794 13.892 25.024 1.00 75.51 H new ATOM 0 HA2 GLY A 49 26.564 11.618 25.183 1.00 45.32 H new ATOM 0 HA3 GLY A 49 27.577 11.579 26.613 1.00 45.32 H new ATOM 775 N ILE A 50 24.529 12.857 26.714 1.00 2.55 N ATOM 776 CA ILE A 50 23.289 12.867 27.479 1.00 54.43 C ATOM 777 C ILE A 50 22.088 13.127 26.576 1.00 21.22 C ATOM 778 O ILE A 50 20.988 13.407 27.054 1.00 52.32 O ATOM 779 CB ILE A 50 23.322 13.932 28.590 1.00 74.21 C ATOM 780 CG1 ILE A 50 23.057 15.320 28.005 1.00 31.12 C ATOM 781 CG2 ILE A 50 24.659 13.902 29.314 1.00 2.01 C ATOM 782 CD1 ILE A 50 24.055 15.728 26.943 1.00 63.44 C ATOM 0 H ILE A 50 24.560 13.534 25.952 1.00 2.55 H new ATOM 0 HA ILE A 50 23.191 11.882 27.935 1.00 54.43 H new ATOM 0 HB ILE A 50 22.536 13.707 29.311 1.00 74.21 H new ATOM 0 HG12 ILE A 50 22.055 15.340 27.577 1.00 31.12 H new ATOM 0 HG13 ILE A 50 23.075 16.054 28.810 1.00 31.12 H new ATOM 0 HG21 ILE A 50 24.666 14.661 30.096 1.00 2.01 H new ATOM 0 HG22 ILE A 50 24.809 12.919 29.760 1.00 2.01 H new ATOM 0 HG23 ILE A 50 25.461 14.105 28.605 1.00 2.01 H new ATOM 0 HD11 ILE A 50 23.806 16.722 26.573 1.00 63.44 H new ATOM 0 HD12 ILE A 50 25.057 15.741 27.371 1.00 63.44 H new ATOM 0 HD13 ILE A 50 24.021 15.015 26.119 1.00 63.44 H new ATOM 794 N SER A 51 22.306 13.031 25.268 1.00 70.50 N ATOM 795 CA SER A 51 21.242 13.259 24.297 1.00 43.11 C ATOM 796 C SER A 51 20.427 11.988 24.078 1.00 55.50 C ATOM 797 O SER A 51 20.945 10.982 23.596 1.00 41.23 O ATOM 798 CB SER A 51 21.829 13.738 22.969 1.00 14.53 C ATOM 799 OG SER A 51 20.992 14.707 22.361 1.00 62.43 O ATOM 0 H SER A 51 23.210 12.797 24.857 1.00 70.50 H new ATOM 0 HA SER A 51 20.581 14.030 24.692 1.00 43.11 H new ATOM 0 HB2 SER A 51 22.819 14.162 23.137 1.00 14.53 H new ATOM 0 HB3 SER A 51 21.956 12.889 22.297 1.00 14.53 H new ATOM 0 HG SER A 51 21.532 15.474 22.078 1.00 62.43 H new ATOM 805 N GLU A 52 19.147 12.044 24.434 1.00 61.33 N ATOM 806 CA GLU A 52 18.261 10.897 24.278 1.00 12.31 C ATOM 807 C GLU A 52 17.715 10.823 22.854 1.00 51.15 C ATOM 808 O GLU A 52 17.719 9.761 22.231 1.00 44.23 O ATOM 809 CB GLU A 52 17.103 10.978 25.275 1.00 71.34 C ATOM 810 CG GLU A 52 16.893 9.700 26.070 1.00 45.13 C ATOM 811 CD GLU A 52 18.159 9.226 26.757 1.00 63.01 C ATOM 812 OE1 GLU A 52 19.087 10.045 26.924 1.00 61.11 O ATOM 813 OE2 GLU A 52 18.222 8.036 27.129 1.00 51.42 O ATOM 0 H GLU A 52 18.701 12.871 24.832 1.00 61.33 H new ATOM 0 HA GLU A 52 18.839 9.994 24.477 1.00 12.31 H new ATOM 0 HB2 GLU A 52 17.287 11.800 25.967 1.00 71.34 H new ATOM 0 HB3 GLU A 52 16.186 11.215 24.735 1.00 71.34 H new ATOM 0 HG2 GLU A 52 16.118 9.865 26.818 1.00 45.13 H new ATOM 0 HG3 GLU A 52 16.531 8.917 25.404 1.00 45.13 H new ATOM 820 N PHE A 53 17.244 11.956 22.348 1.00 24.14 N ATOM 821 CA PHE A 53 16.693 12.021 20.999 1.00 11.11 C ATOM 822 C PHE A 53 16.437 13.467 20.584 1.00 41.33 C ATOM 823 O PHE A 53 16.194 14.331 21.427 1.00 24.32 O ATOM 824 CB PHE A 53 15.393 11.217 20.917 1.00 60.54 C ATOM 825 CG PHE A 53 14.283 11.788 21.752 1.00 54.51 C ATOM 826 CD1 PHE A 53 13.436 12.755 21.235 1.00 62.22 C ATOM 827 CD2 PHE A 53 14.086 11.357 23.054 1.00 54.55 C ATOM 828 CE1 PHE A 53 12.413 13.281 22.001 1.00 2.24 C ATOM 829 CE2 PHE A 53 13.063 11.879 23.824 1.00 23.41 C ATOM 830 CZ PHE A 53 12.227 12.844 23.297 1.00 44.10 C ATOM 0 H PHE A 53 17.232 12.843 22.851 1.00 24.14 H new ATOM 0 HA PHE A 53 17.423 11.589 20.314 1.00 11.11 H new ATOM 0 HB2 PHE A 53 15.068 11.171 19.877 1.00 60.54 H new ATOM 0 HB3 PHE A 53 15.587 10.193 21.236 1.00 60.54 H new ATOM 0 HD1 PHE A 53 13.577 13.102 20.222 1.00 62.22 H new ATOM 0 HD2 PHE A 53 14.739 10.605 23.472 1.00 54.55 H new ATOM 0 HE1 PHE A 53 11.759 14.034 21.586 1.00 2.24 H new ATOM 0 HE2 PHE A 53 12.918 11.533 24.837 1.00 23.41 H new ATOM 0 HZ PHE A 53 11.429 13.256 23.898 1.00 44.10 H new ATOM 840 N ILE A 54 16.493 13.721 19.281 1.00 43.03 N ATOM 841 CA ILE A 54 16.267 15.061 18.755 1.00 1.32 C ATOM 842 C ILE A 54 14.986 15.120 17.930 1.00 55.45 C ATOM 843 O ILE A 54 14.722 14.238 17.111 1.00 32.33 O ATOM 844 CB ILE A 54 17.447 15.529 17.882 1.00 33.52 C ATOM 845 CG1 ILE A 54 18.771 15.316 18.619 1.00 0.33 C ATOM 846 CG2 ILE A 54 17.276 16.993 17.502 1.00 64.21 C ATOM 847 CD1 ILE A 54 18.905 16.148 19.874 1.00 65.24 C ATOM 0 H ILE A 54 16.693 13.017 18.571 1.00 43.03 H new ATOM 0 HA ILE A 54 16.174 15.725 19.614 1.00 1.32 H new ATOM 0 HB ILE A 54 17.462 14.935 16.968 1.00 33.52 H new ATOM 0 HG12 ILE A 54 18.867 14.262 18.880 1.00 0.33 H new ATOM 0 HG13 ILE A 54 19.595 15.554 17.946 1.00 0.33 H new ATOM 0 HG21 ILE A 54 18.117 17.309 16.885 1.00 64.21 H new ATOM 0 HG22 ILE A 54 16.349 17.118 16.943 1.00 64.21 H new ATOM 0 HG23 ILE A 54 17.239 17.602 18.406 1.00 64.21 H new ATOM 0 HD11 ILE A 54 19.867 15.945 20.344 1.00 65.24 H new ATOM 0 HD12 ILE A 54 18.842 17.206 19.618 1.00 65.24 H new ATOM 0 HD13 ILE A 54 18.103 15.894 20.567 1.00 65.24 H new ATOM 859 N VAL A 55 14.192 16.163 18.151 1.00 45.10 N ATOM 860 CA VAL A 55 12.939 16.338 17.427 1.00 2.51 C ATOM 861 C VAL A 55 13.001 17.552 16.507 1.00 43.31 C ATOM 862 O VAL A 55 13.369 18.646 16.931 1.00 4.24 O ATOM 863 CB VAL A 55 11.751 16.500 18.393 1.00 60.14 C ATOM 864 CG1 VAL A 55 10.458 16.705 17.619 1.00 71.13 C ATOM 865 CG2 VAL A 55 11.645 15.294 19.315 1.00 3.54 C ATOM 0 H VAL A 55 14.395 16.900 18.826 1.00 45.10 H new ATOM 0 HA VAL A 55 12.791 15.439 16.828 1.00 2.51 H new ATOM 0 HB VAL A 55 11.923 17.384 19.007 1.00 60.14 H new ATOM 0 HG11 VAL A 55 9.629 16.818 18.318 1.00 71.13 H new ATOM 0 HG12 VAL A 55 10.540 17.602 17.005 1.00 71.13 H new ATOM 0 HG13 VAL A 55 10.277 15.842 16.978 1.00 71.13 H new ATOM 0 HG21 VAL A 55 10.800 15.426 19.991 1.00 3.54 H new ATOM 0 HG22 VAL A 55 11.497 14.393 18.720 1.00 3.54 H new ATOM 0 HG23 VAL A 55 12.562 15.198 19.896 1.00 3.54 H new ATOM 875 N MET A 56 12.639 17.349 15.244 1.00 2.41 N ATOM 876 CA MET A 56 12.652 18.428 14.263 1.00 33.12 C ATOM 877 C MET A 56 11.382 18.408 13.417 1.00 24.32 C ATOM 878 O MET A 56 10.954 17.355 12.949 1.00 30.30 O ATOM 879 CB MET A 56 13.882 18.311 13.361 1.00 2.00 C ATOM 880 CG MET A 56 14.038 16.941 12.720 1.00 32.24 C ATOM 881 SD MET A 56 15.065 15.829 13.700 1.00 15.14 S ATOM 882 CE MET A 56 16.639 16.681 13.640 1.00 30.30 C ATOM 0 H MET A 56 12.333 16.448 14.876 1.00 2.41 H new ATOM 0 HA MET A 56 12.694 19.375 14.801 1.00 33.12 H new ATOM 0 HB2 MET A 56 13.820 19.065 12.576 1.00 2.00 H new ATOM 0 HB3 MET A 56 14.774 18.533 13.947 1.00 2.00 H new ATOM 0 HG2 MET A 56 13.053 16.494 12.583 1.00 32.24 H new ATOM 0 HG3 MET A 56 14.477 17.056 11.729 1.00 32.24 H new ATOM 0 HE1 MET A 56 17.114 16.637 14.620 1.00 30.30 H new ATOM 0 HE2 MET A 56 17.284 16.203 12.903 1.00 30.30 H new ATOM 0 HE3 MET A 56 16.479 17.722 13.361 1.00 30.30 H new ATOM 892 N ALA A 57 10.787 19.581 13.227 1.00 53.20 N ATOM 893 CA ALA A 57 9.568 19.699 12.436 1.00 51.34 C ATOM 894 C ALA A 57 9.819 19.318 10.981 1.00 34.21 C ATOM 895 O ALA A 57 10.903 19.546 10.447 1.00 60.54 O ATOM 896 CB ALA A 57 9.015 21.113 12.526 1.00 13.24 C ATOM 0 H ALA A 57 11.129 20.462 13.610 1.00 53.20 H new ATOM 0 HA ALA A 57 8.831 19.007 12.844 1.00 51.34 H new ATOM 0 HB1 ALA A 57 8.105 21.186 11.931 1.00 13.24 H new ATOM 0 HB2 ALA A 57 8.789 21.350 13.566 1.00 13.24 H new ATOM 0 HB3 ALA A 57 9.755 21.818 12.146 1.00 13.24 H new ATOM 902 N ALA A 58 8.808 18.735 10.344 1.00 33.45 N ATOM 903 CA ALA A 58 8.918 18.324 8.950 1.00 71.11 C ATOM 904 C ALA A 58 9.004 19.534 8.026 1.00 2.31 C ATOM 905 O ALA A 58 9.547 19.448 6.925 1.00 4.03 O ATOM 906 CB ALA A 58 7.738 17.445 8.563 1.00 72.43 C ATOM 0 H ALA A 58 7.903 18.537 10.772 1.00 33.45 H new ATOM 0 HA ALA A 58 9.837 17.748 8.839 1.00 71.11 H new ATOM 0 HB1 ALA A 58 7.834 17.146 7.519 1.00 72.43 H new ATOM 0 HB2 ALA A 58 7.723 16.557 9.195 1.00 72.43 H new ATOM 0 HB3 ALA A 58 6.810 18.001 8.697 1.00 72.43 H new ATOM 912 N ASP A 59 8.465 20.660 8.481 1.00 1.53 N ATOM 913 CA ASP A 59 8.481 21.887 7.694 1.00 31.33 C ATOM 914 C ASP A 59 9.187 23.008 8.451 1.00 33.44 C ATOM 915 O ASP A 59 8.807 24.174 8.350 1.00 22.51 O ATOM 916 CB ASP A 59 7.054 22.312 7.343 1.00 64.32 C ATOM 917 CG ASP A 59 6.935 22.816 5.918 1.00 22.12 C ATOM 918 OD1 ASP A 59 7.570 22.220 5.023 1.00 12.31 O ATOM 919 OD2 ASP A 59 6.207 23.807 5.697 1.00 51.13 O ATOM 0 H ASP A 59 8.012 20.748 9.391 1.00 1.53 H new ATOM 0 HA ASP A 59 9.030 21.692 6.773 1.00 31.33 H new ATOM 0 HB2 ASP A 59 6.381 21.466 7.484 1.00 64.32 H new ATOM 0 HB3 ASP A 59 6.731 23.094 8.030 1.00 64.32 H new ATOM 924 N ALA A 60 10.215 22.646 9.211 1.00 74.32 N ATOM 925 CA ALA A 60 10.974 23.620 9.985 1.00 22.40 C ATOM 926 C ALA A 60 12.274 23.990 9.279 1.00 52.13 C ATOM 927 O ALA A 60 13.006 23.118 8.812 1.00 14.43 O ATOM 928 CB ALA A 60 11.262 23.081 11.377 1.00 74.35 C ATOM 0 H ALA A 60 10.541 21.684 9.307 1.00 74.32 H new ATOM 0 HA ALA A 60 10.371 24.523 10.076 1.00 22.40 H new ATOM 0 HB1 ALA A 60 11.830 23.820 11.943 1.00 74.35 H new ATOM 0 HB2 ALA A 60 10.322 22.875 11.889 1.00 74.35 H new ATOM 0 HB3 ALA A 60 11.841 22.161 11.298 1.00 74.35 H new ATOM 934 N GLU A 61 12.554 25.286 9.205 1.00 64.52 N ATOM 935 CA GLU A 61 13.767 25.769 8.555 1.00 4.11 C ATOM 936 C GLU A 61 14.508 26.760 9.449 1.00 53.43 C ATOM 937 O GLU A 61 13.940 27.350 10.368 1.00 43.10 O ATOM 938 CB GLU A 61 13.426 26.431 7.217 1.00 55.43 C ATOM 939 CG GLU A 61 12.085 27.145 7.216 1.00 73.34 C ATOM 940 CD GLU A 61 11.915 28.063 6.021 1.00 73.13 C ATOM 941 OE1 GLU A 61 12.835 28.865 5.754 1.00 15.44 O ATOM 942 OE2 GLU A 61 10.862 27.981 5.355 1.00 43.11 O ATOM 0 H GLU A 61 11.958 26.021 9.587 1.00 64.52 H new ATOM 0 HA GLU A 61 14.417 24.912 8.375 1.00 4.11 H new ATOM 0 HB2 GLU A 61 14.209 27.146 6.965 1.00 55.43 H new ATOM 0 HB3 GLU A 61 13.424 25.671 6.435 1.00 55.43 H new ATOM 0 HG2 GLU A 61 11.284 26.406 7.219 1.00 73.34 H new ATOM 0 HG3 GLU A 61 11.986 27.726 8.133 1.00 73.34 H new ATOM 949 N PRO A 62 15.809 26.943 9.176 1.00 32.33 N ATOM 950 CA PRO A 62 16.496 26.246 8.086 1.00 73.13 C ATOM 951 C PRO A 62 16.666 24.756 8.368 1.00 21.21 C ATOM 952 O PRO A 62 16.939 24.356 9.500 1.00 74.15 O ATOM 953 CB PRO A 62 17.859 26.937 8.026 1.00 4.31 C ATOM 954 CG PRO A 62 18.071 27.477 9.398 1.00 22.42 C ATOM 955 CD PRO A 62 16.708 27.849 9.912 1.00 32.10 C ATOM 0 HA PRO A 62 15.936 26.297 7.152 1.00 73.13 H new ATOM 0 HB2 PRO A 62 18.647 26.236 7.751 1.00 4.31 H new ATOM 0 HB3 PRO A 62 17.867 27.733 7.282 1.00 4.31 H new ATOM 0 HG2 PRO A 62 18.541 26.733 10.042 1.00 22.42 H new ATOM 0 HG3 PRO A 62 18.731 28.344 9.378 1.00 22.42 H new ATOM 0 HD2 PRO A 62 16.631 27.704 10.990 1.00 32.10 H new ATOM 0 HD3 PRO A 62 16.475 28.895 9.714 1.00 32.10 H new ATOM 963 N LEU A 63 16.503 23.941 7.332 1.00 21.01 N ATOM 964 CA LEU A 63 16.639 22.495 7.468 1.00 21.12 C ATOM 965 C LEU A 63 18.080 22.058 7.220 1.00 51.34 C ATOM 966 O LEU A 63 18.521 21.026 7.726 1.00 22.23 O ATOM 967 CB LEU A 63 15.703 21.780 6.493 1.00 1.23 C ATOM 968 CG LEU A 63 14.749 20.755 7.107 1.00 52.13 C ATOM 969 CD1 LEU A 63 13.396 20.802 6.414 1.00 50.41 C ATOM 970 CD2 LEU A 63 15.345 19.357 7.025 1.00 15.11 C ATOM 0 H LEU A 63 16.277 24.257 6.389 1.00 21.01 H new ATOM 0 HA LEU A 63 16.366 22.224 8.488 1.00 21.12 H new ATOM 0 HB2 LEU A 63 15.110 22.532 5.972 1.00 1.23 H new ATOM 0 HB3 LEU A 63 16.310 21.276 5.741 1.00 1.23 H new ATOM 0 HG LEU A 63 14.604 21.006 8.158 1.00 52.13 H new ATOM 0 HD11 LEU A 63 12.731 20.066 6.865 1.00 50.41 H new ATOM 0 HD12 LEU A 63 12.965 21.797 6.525 1.00 50.41 H new ATOM 0 HD13 LEU A 63 13.522 20.577 5.355 1.00 50.41 H new ATOM 0 HD21 LEU A 63 14.653 18.640 7.467 1.00 15.11 H new ATOM 0 HD22 LEU A 63 15.520 19.097 5.981 1.00 15.11 H new ATOM 0 HD23 LEU A 63 16.289 19.332 7.569 1.00 15.11 H new ATOM 982 N GLU A 64 18.807 22.851 6.440 1.00 64.33 N ATOM 983 CA GLU A 64 20.198 22.546 6.127 1.00 61.15 C ATOM 984 C GLU A 64 21.016 22.366 7.403 1.00 4.44 C ATOM 985 O GLU A 64 21.792 21.418 7.526 1.00 31.21 O ATOM 986 CB GLU A 64 20.807 23.658 5.271 1.00 1.55 C ATOM 987 CG GLU A 64 20.441 23.563 3.799 1.00 14.34 C ATOM 988 CD GLU A 64 20.325 24.922 3.137 1.00 42.23 C ATOM 989 OE1 GLU A 64 21.184 25.788 3.404 1.00 74.10 O ATOM 990 OE2 GLU A 64 19.375 25.119 2.350 1.00 4.51 O ATOM 0 H GLU A 64 18.456 23.709 6.014 1.00 64.33 H new ATOM 0 HA GLU A 64 20.221 21.612 5.566 1.00 61.15 H new ATOM 0 HB2 GLU A 64 20.479 24.623 5.657 1.00 1.55 H new ATOM 0 HB3 GLU A 64 21.892 23.628 5.370 1.00 1.55 H new ATOM 0 HG2 GLU A 64 21.195 22.973 3.278 1.00 14.34 H new ATOM 0 HG3 GLU A 64 19.495 23.032 3.697 1.00 14.34 H new ATOM 997 N ILE A 65 20.838 23.284 8.347 1.00 55.12 N ATOM 998 CA ILE A 65 21.559 23.227 9.612 1.00 51.35 C ATOM 999 C ILE A 65 21.320 21.898 10.322 1.00 13.11 C ATOM 1000 O ILE A 65 22.226 21.343 10.944 1.00 60.43 O ATOM 1001 CB ILE A 65 21.145 24.377 10.549 1.00 51.03 C ATOM 1002 CG1 ILE A 65 21.406 25.727 9.879 1.00 31.23 C ATOM 1003 CG2 ILE A 65 21.894 24.281 11.870 1.00 42.35 C ATOM 1004 CD1 ILE A 65 21.009 26.912 10.733 1.00 43.00 C ATOM 0 H ILE A 65 20.201 24.076 8.260 1.00 55.12 H new ATOM 0 HA ILE A 65 22.618 23.325 9.375 1.00 51.35 H new ATOM 0 HB ILE A 65 20.078 24.294 10.753 1.00 51.03 H new ATOM 0 HG12 ILE A 65 22.466 25.804 9.635 1.00 31.23 H new ATOM 0 HG13 ILE A 65 20.858 25.768 8.937 1.00 31.23 H new ATOM 0 HG21 ILE A 65 21.590 25.101 12.521 1.00 42.35 H new ATOM 0 HG22 ILE A 65 21.663 23.331 12.351 1.00 42.35 H new ATOM 0 HG23 ILE A 65 22.966 24.343 11.685 1.00 42.35 H new ATOM 0 HD11 ILE A 65 21.222 27.836 10.195 1.00 43.00 H new ATOM 0 HD12 ILE A 65 19.943 26.859 10.956 1.00 43.00 H new ATOM 0 HD13 ILE A 65 21.575 26.895 11.664 1.00 43.00 H new ATOM 1016 N ILE A 66 20.094 21.392 10.222 1.00 65.40 N ATOM 1017 CA ILE A 66 19.737 20.127 10.851 1.00 62.00 C ATOM 1018 C ILE A 66 20.620 18.992 10.344 1.00 62.00 C ATOM 1019 O ILE A 66 20.808 17.984 11.026 1.00 20.31 O ATOM 1020 CB ILE A 66 18.262 19.768 10.595 1.00 73.45 C ATOM 1021 CG1 ILE A 66 17.348 20.889 11.094 1.00 34.43 C ATOM 1022 CG2 ILE A 66 17.912 18.452 11.274 1.00 72.31 C ATOM 1023 CD1 ILE A 66 15.883 20.653 10.796 1.00 61.52 C ATOM 0 H ILE A 66 19.333 21.839 9.712 1.00 65.40 H new ATOM 0 HA ILE A 66 19.891 20.253 11.923 1.00 62.00 H new ATOM 0 HB ILE A 66 18.112 19.652 9.521 1.00 73.45 H new ATOM 0 HG12 ILE A 66 17.478 21.001 12.170 1.00 34.43 H new ATOM 0 HG13 ILE A 66 17.657 21.829 10.637 1.00 34.43 H new ATOM 0 HG21 ILE A 66 16.866 18.211 11.084 1.00 72.31 H new ATOM 0 HG22 ILE A 66 18.545 17.658 10.877 1.00 72.31 H new ATOM 0 HG23 ILE A 66 18.074 18.542 12.348 1.00 72.31 H new ATOM 0 HD11 ILE A 66 15.295 21.487 11.178 1.00 61.52 H new ATOM 0 HD12 ILE A 66 15.739 20.571 9.719 1.00 61.52 H new ATOM 0 HD13 ILE A 66 15.558 19.730 11.276 1.00 61.52 H new ATOM 1035 N LEU A 67 21.161 19.162 9.143 1.00 23.40 N ATOM 1036 CA LEU A 67 22.027 18.153 8.543 1.00 31.32 C ATOM 1037 C LEU A 67 23.406 18.161 9.196 1.00 51.10 C ATOM 1038 O LEU A 67 24.208 17.250 8.988 1.00 55.21 O ATOM 1039 CB LEU A 67 22.162 18.396 7.039 1.00 32.44 C ATOM 1040 CG LEU A 67 21.745 17.238 6.132 1.00 20.54 C ATOM 1041 CD1 LEU A 67 21.084 17.762 4.866 1.00 31.11 C ATOM 1042 CD2 LEU A 67 22.947 16.371 5.788 1.00 11.42 C ATOM 0 H LEU A 67 21.015 19.990 8.565 1.00 23.40 H new ATOM 0 HA LEU A 67 21.572 17.176 8.707 1.00 31.32 H new ATOM 0 HB2 LEU A 67 21.565 19.269 6.777 1.00 32.44 H new ATOM 0 HB3 LEU A 67 23.201 18.644 6.823 1.00 32.44 H new ATOM 0 HG LEU A 67 21.021 16.625 6.668 1.00 20.54 H new ATOM 0 HD11 LEU A 67 20.794 16.923 4.233 1.00 31.11 H new ATOM 0 HD12 LEU A 67 20.199 18.340 5.130 1.00 31.11 H new ATOM 0 HD13 LEU A 67 21.785 18.399 4.326 1.00 31.11 H new ATOM 0 HD21 LEU A 67 22.632 15.552 5.142 1.00 11.42 H new ATOM 0 HD22 LEU A 67 23.694 16.973 5.272 1.00 11.42 H new ATOM 0 HD23 LEU A 67 23.377 15.966 6.704 1.00 11.42 H new ATOM 1054 N HIS A 68 23.674 19.193 9.988 1.00 34.31 N ATOM 1055 CA HIS A 68 24.955 19.318 10.675 1.00 3.51 C ATOM 1056 C HIS A 68 25.108 18.237 11.741 1.00 14.53 C ATOM 1057 O HIS A 68 26.165 17.618 11.864 1.00 54.34 O ATOM 1058 CB HIS A 68 25.083 20.701 11.313 1.00 30.40 C ATOM 1059 CG HIS A 68 26.501 21.153 11.485 1.00 54.22 C ATOM 1060 ND1 HIS A 68 27.194 21.844 10.513 1.00 54.31 N ATOM 1061 CD2 HIS A 68 27.356 21.010 12.525 1.00 14.33 C ATOM 1062 CE1 HIS A 68 28.413 22.105 10.947 1.00 44.14 C ATOM 1063 NE2 HIS A 68 28.538 21.610 12.166 1.00 10.45 N ATOM 0 H HIS A 68 23.022 19.955 10.171 1.00 34.31 H new ATOM 0 HA HIS A 68 25.748 19.191 9.938 1.00 3.51 H new ATOM 0 HB2 HIS A 68 24.551 21.427 10.697 1.00 30.40 H new ATOM 0 HB3 HIS A 68 24.593 20.689 12.287 1.00 30.40 H new ATOM 0 HD2 HIS A 68 27.147 20.516 13.462 1.00 14.33 H new ATOM 0 HE1 HIS A 68 29.179 22.634 10.399 1.00 44.14 H new ATOM 0 HE2 HIS A 68 29.376 21.665 12.746 1.00 10.45 H new ATOM 1071 N LEU A 69 24.046 18.016 12.508 1.00 10.11 N ATOM 1072 CA LEU A 69 24.062 17.009 13.564 1.00 22.33 C ATOM 1073 C LEU A 69 24.534 15.663 13.026 1.00 43.24 C ATOM 1074 O LEU A 69 25.534 15.103 13.476 1.00 4.21 O ATOM 1075 CB LEU A 69 22.669 16.866 14.180 1.00 43.11 C ATOM 1076 CG LEU A 69 22.444 17.590 15.508 1.00 63.51 C ATOM 1077 CD1 LEU A 69 20.958 17.763 15.777 1.00 62.21 C ATOM 1078 CD2 LEU A 69 23.111 16.832 16.648 1.00 31.11 C ATOM 0 H LEU A 69 23.164 18.520 12.419 1.00 10.11 H new ATOM 0 HA LEU A 69 24.761 17.336 14.334 1.00 22.33 H new ATOM 0 HB2 LEU A 69 21.936 17.232 13.461 1.00 43.11 H new ATOM 0 HB3 LEU A 69 22.467 15.805 14.329 1.00 43.11 H new ATOM 0 HG LEU A 69 22.897 18.579 15.442 1.00 63.51 H new ATOM 0 HD11 LEU A 69 20.818 18.280 16.726 1.00 62.21 H new ATOM 0 HD12 LEU A 69 20.509 18.349 14.975 1.00 62.21 H new ATOM 0 HD13 LEU A 69 20.480 16.784 15.823 1.00 62.21 H new ATOM 0 HD21 LEU A 69 22.941 17.361 17.586 1.00 31.11 H new ATOM 0 HD22 LEU A 69 22.688 15.830 16.715 1.00 31.11 H new ATOM 0 HD23 LEU A 69 24.182 16.762 16.460 1.00 31.11 H new ATOM 1090 N PRO A 70 23.800 15.130 12.039 1.00 12.42 N ATOM 1091 CA PRO A 70 24.126 13.843 11.416 1.00 13.05 C ATOM 1092 C PRO A 70 25.392 13.913 10.569 1.00 34.32 C ATOM 1093 O PRO A 70 25.385 14.467 9.469 1.00 25.32 O ATOM 1094 CB PRO A 70 22.908 13.558 10.533 1.00 73.03 C ATOM 1095 CG PRO A 70 22.333 14.900 10.236 1.00 41.33 C ATOM 1096 CD PRO A 70 22.595 15.742 11.453 1.00 63.24 C ATOM 0 HA PRO A 70 24.323 13.069 12.158 1.00 13.05 H new ATOM 0 HB2 PRO A 70 23.195 13.039 9.618 1.00 73.03 H new ATOM 0 HB3 PRO A 70 22.186 12.923 11.047 1.00 73.03 H new ATOM 0 HG2 PRO A 70 22.798 15.337 9.352 1.00 41.33 H new ATOM 0 HG3 PRO A 70 21.264 14.830 10.033 1.00 41.33 H new ATOM 0 HD2 PRO A 70 22.762 16.787 11.190 1.00 63.24 H new ATOM 0 HD3 PRO A 70 21.754 15.718 12.147 1.00 63.24 H new ATOM 1232 N PRO A 79 19.879 10.463 16.329 1.00 0.11 N ATOM 1233 CA PRO A 79 18.422 10.304 16.363 1.00 25.14 C ATOM 1234 C PRO A 79 17.707 11.333 15.495 1.00 2.43 C ATOM 1235 O PRO A 79 18.314 12.299 15.032 1.00 34.55 O ATOM 1236 CB PRO A 79 18.076 10.518 17.839 1.00 10.31 C ATOM 1237 CG PRO A 79 19.183 11.363 18.368 1.00 73.40 C ATOM 1238 CD PRO A 79 20.414 10.957 17.608 1.00 63.13 C ATOM 0 HA PRO A 79 18.109 9.335 15.973 1.00 25.14 H new ATOM 0 HB2 PRO A 79 17.111 11.013 17.952 1.00 10.31 H new ATOM 0 HB3 PRO A 79 18.012 9.570 18.372 1.00 10.31 H new ATOM 0 HG2 PRO A 79 18.968 12.422 18.225 1.00 73.40 H new ATOM 0 HG3 PRO A 79 19.316 11.206 19.438 1.00 73.40 H new ATOM 0 HD2 PRO A 79 21.091 11.798 17.462 1.00 63.13 H new ATOM 0 HD3 PRO A 79 20.974 10.184 18.134 1.00 63.13 H new ATOM 1246 N TYR A 80 16.414 11.120 15.276 1.00 42.53 N ATOM 1247 CA TYR A 80 15.616 12.028 14.460 1.00 34.31 C ATOM 1248 C TYR A 80 14.148 11.615 14.462 1.00 54.32 C ATOM 1249 O TYR A 80 13.821 10.440 14.632 1.00 33.10 O ATOM 1250 CB TYR A 80 16.147 12.058 13.026 1.00 31.44 C ATOM 1251 CG TYR A 80 16.102 10.714 12.335 1.00 42.11 C ATOM 1252 CD1 TYR A 80 14.919 10.229 11.792 1.00 42.14 C ATOM 1253 CD2 TYR A 80 17.244 9.929 12.227 1.00 13.33 C ATOM 1254 CE1 TYR A 80 14.874 9.001 11.160 1.00 74.13 C ATOM 1255 CE2 TYR A 80 17.207 8.700 11.595 1.00 63.44 C ATOM 1256 CZ TYR A 80 16.021 8.241 11.065 1.00 52.41 C ATOM 1257 OH TYR A 80 15.981 7.017 10.437 1.00 2.12 O ATOM 0 H TYR A 80 15.896 10.326 15.652 1.00 42.53 H new ATOM 0 HA TYR A 80 15.694 13.026 14.891 1.00 34.31 H new ATOM 0 HB2 TYR A 80 15.565 12.774 12.447 1.00 31.44 H new ATOM 0 HB3 TYR A 80 17.176 12.418 13.036 1.00 31.44 H new ATOM 0 HD1 TYR A 80 14.019 10.822 11.865 1.00 42.14 H new ATOM 0 HD2 TYR A 80 18.175 10.285 12.643 1.00 13.33 H new ATOM 0 HE1 TYR A 80 13.946 8.638 10.743 1.00 74.13 H new ATOM 0 HE2 TYR A 80 18.103 8.103 11.517 1.00 63.44 H new ATOM 0 HH TYR A 80 16.894 6.720 10.241 1.00 2.12 H new ATOM 1267 N VAL A 81 13.265 12.590 14.272 1.00 61.31 N ATOM 1268 CA VAL A 81 11.831 12.330 14.250 1.00 53.14 C ATOM 1269 C VAL A 81 11.061 13.533 13.717 1.00 70.14 C ATOM 1270 O VAL A 81 11.328 14.673 14.099 1.00 3.24 O ATOM 1271 CB VAL A 81 11.302 11.977 15.654 1.00 25.52 C ATOM 1272 CG1 VAL A 81 11.626 13.090 16.641 1.00 1.24 C ATOM 1273 CG2 VAL A 81 9.805 11.713 15.609 1.00 4.23 C ATOM 0 H VAL A 81 13.518 13.568 14.131 1.00 61.31 H new ATOM 0 HA VAL A 81 11.675 11.480 13.586 1.00 53.14 H new ATOM 0 HB VAL A 81 11.798 11.067 15.992 1.00 25.52 H new ATOM 0 HG11 VAL A 81 11.245 12.824 17.627 1.00 1.24 H new ATOM 0 HG12 VAL A 81 12.706 13.226 16.694 1.00 1.24 H new ATOM 0 HG13 VAL A 81 11.159 14.017 16.310 1.00 1.24 H new ATOM 0 HG21 VAL A 81 9.449 11.465 16.609 1.00 4.23 H new ATOM 0 HG22 VAL A 81 9.289 12.604 15.250 1.00 4.23 H new ATOM 0 HG23 VAL A 81 9.602 10.880 14.935 1.00 4.23 H new ATOM 1283 N PHE A 82 10.105 13.272 12.833 1.00 11.55 N ATOM 1284 CA PHE A 82 9.297 14.334 12.245 1.00 52.10 C ATOM 1285 C PHE A 82 7.901 14.359 12.861 1.00 22.23 C ATOM 1286 O PHE A 82 7.204 13.345 12.891 1.00 4.31 O ATOM 1287 CB PHE A 82 9.193 14.147 10.729 1.00 62.54 C ATOM 1288 CG PHE A 82 10.517 14.228 10.025 1.00 43.33 C ATOM 1289 CD1 PHE A 82 11.335 15.335 10.180 1.00 0.35 C ATOM 1290 CD2 PHE A 82 10.945 13.194 9.206 1.00 74.53 C ATOM 1291 CE1 PHE A 82 12.553 15.412 9.533 1.00 62.42 C ATOM 1292 CE2 PHE A 82 12.163 13.264 8.557 1.00 33.41 C ATOM 1293 CZ PHE A 82 12.968 14.375 8.720 1.00 20.22 C ATOM 0 H PHE A 82 9.870 12.334 12.508 1.00 11.55 H new ATOM 0 HA PHE A 82 9.786 15.285 12.454 1.00 52.10 H new ATOM 0 HB2 PHE A 82 8.738 13.179 10.520 1.00 62.54 H new ATOM 0 HB3 PHE A 82 8.526 14.907 10.322 1.00 62.54 H new ATOM 0 HD1 PHE A 82 11.016 16.148 10.815 1.00 0.35 H new ATOM 0 HD2 PHE A 82 10.319 12.324 9.074 1.00 74.53 H new ATOM 0 HE1 PHE A 82 13.180 16.282 9.663 1.00 62.42 H new ATOM 0 HE2 PHE A 82 12.485 12.451 7.923 1.00 33.41 H new ATOM 0 HZ PHE A 82 13.920 14.433 8.213 1.00 20.22 H new ATOM 1303 N VAL A 83 7.499 15.527 13.354 1.00 41.12 N ATOM 1304 CA VAL A 83 6.187 15.686 13.970 1.00 44.45 C ATOM 1305 C VAL A 83 5.296 16.601 13.137 1.00 40.12 C ATOM 1306 O VAL A 83 5.768 17.572 12.545 1.00 61.24 O ATOM 1307 CB VAL A 83 6.301 16.258 15.396 1.00 45.34 C ATOM 1308 CG1 VAL A 83 7.049 15.290 16.300 1.00 63.23 C ATOM 1309 CG2 VAL A 83 6.988 17.615 15.371 1.00 32.32 C ATOM 0 H VAL A 83 8.063 16.377 13.339 1.00 41.12 H new ATOM 0 HA VAL A 83 5.739 14.694 14.020 1.00 44.45 H new ATOM 0 HB VAL A 83 5.297 16.392 15.798 1.00 45.34 H new ATOM 0 HG11 VAL A 83 7.120 15.710 17.303 1.00 63.23 H new ATOM 0 HG12 VAL A 83 6.513 14.342 16.341 1.00 63.23 H new ATOM 0 HG13 VAL A 83 8.051 15.123 15.905 1.00 63.23 H new ATOM 0 HG21 VAL A 83 7.060 18.005 16.386 1.00 32.32 H new ATOM 0 HG22 VAL A 83 7.988 17.509 14.951 1.00 32.32 H new ATOM 0 HG23 VAL A 83 6.408 18.305 14.758 1.00 32.32 H new ATOM 1319 N ARG A 84 4.007 16.285 13.097 1.00 14.44 N ATOM 1320 CA ARG A 84 3.049 17.079 12.336 1.00 13.13 C ATOM 1321 C ARG A 84 2.501 18.225 13.180 1.00 33.41 C ATOM 1322 O ARG A 84 1.288 18.406 13.288 1.00 51.53 O ATOM 1323 CB ARG A 84 1.899 16.197 11.846 1.00 12.43 C ATOM 1324 CG ARG A 84 1.175 16.759 10.633 1.00 53.44 C ATOM 1325 CD ARG A 84 -0.158 16.063 10.408 1.00 13.23 C ATOM 1326 NE ARG A 84 -0.693 16.325 9.075 1.00 13.30 N ATOM 1327 CZ ARG A 84 -1.257 17.474 8.721 1.00 44.11 C ATOM 1328 NH1 ARG A 84 -1.357 18.464 9.597 1.00 74.11 N ATOM 1329 NH2 ARG A 84 -1.721 17.636 7.488 1.00 73.20 N ATOM 0 H ARG A 84 3.601 15.485 13.582 1.00 14.44 H new ATOM 0 HA ARG A 84 3.567 17.501 11.475 1.00 13.13 H new ATOM 0 HB2 ARG A 84 2.289 15.209 11.600 1.00 12.43 H new ATOM 0 HB3 ARG A 84 1.183 16.064 12.657 1.00 12.43 H new ATOM 0 HG2 ARG A 84 1.010 17.828 10.769 1.00 53.44 H new ATOM 0 HG3 ARG A 84 1.801 16.643 9.748 1.00 53.44 H new ATOM 0 HD2 ARG A 84 -0.034 14.989 10.544 1.00 13.23 H new ATOM 0 HD3 ARG A 84 -0.874 16.399 11.158 1.00 13.23 H new ATOM 0 HE ARG A 84 -0.630 15.584 8.377 1.00 13.30 H new ATOM 0 HH11 ARG A 84 -1.000 18.344 10.545 1.00 74.11 H new ATOM 0 HH12 ARG A 84 -1.791 19.346 9.323 1.00 74.11 H new ATOM 0 HH21 ARG A 84 -1.645 16.877 6.811 1.00 73.20 H new ATOM 0 HH22 ARG A 84 -2.154 18.519 7.218 1.00 73.20 H new ATOM 1343 N SER A 85 3.403 18.997 13.778 1.00 31.04 N ATOM 1344 CA SER A 85 3.009 20.124 14.616 1.00 23.43 C ATOM 1345 C SER A 85 4.234 20.896 15.098 1.00 21.53 C ATOM 1346 O SER A 85 4.839 20.553 16.113 1.00 20.32 O ATOM 1347 CB SER A 85 2.196 19.635 15.816 1.00 72.21 C ATOM 1348 OG SER A 85 0.885 20.172 15.796 1.00 62.13 O ATOM 0 H SER A 85 4.411 18.863 13.698 1.00 31.04 H new ATOM 0 HA SER A 85 2.392 20.793 14.016 1.00 23.43 H new ATOM 0 HB2 SER A 85 2.147 18.546 15.807 1.00 72.21 H new ATOM 0 HB3 SER A 85 2.697 19.923 16.740 1.00 72.21 H new ATOM 0 HG SER A 85 0.385 19.843 16.572 1.00 62.13 H new ATOM 1354 N LYS A 86 4.594 21.941 14.361 1.00 22.54 N ATOM 1355 CA LYS A 86 5.745 22.765 14.711 1.00 30.21 C ATOM 1356 C LYS A 86 5.359 23.835 15.729 1.00 41.22 C ATOM 1357 O LYS A 86 6.165 24.213 16.579 1.00 35.32 O ATOM 1358 CB LYS A 86 6.327 23.424 13.459 1.00 51.41 C ATOM 1359 CG LYS A 86 5.306 24.210 12.654 1.00 43.24 C ATOM 1360 CD LYS A 86 5.753 25.646 12.437 1.00 42.21 C ATOM 1361 CE LYS A 86 7.015 25.714 11.589 1.00 73.21 C ATOM 1362 NZ LYS A 86 6.985 26.863 10.643 1.00 33.42 N ATOM 0 H LYS A 86 4.105 22.238 13.517 1.00 22.54 H new ATOM 0 HA LYS A 86 6.500 22.118 15.158 1.00 30.21 H new ATOM 0 HB2 LYS A 86 7.137 24.092 13.753 1.00 51.41 H new ATOM 0 HB3 LYS A 86 6.764 22.654 12.823 1.00 51.41 H new ATOM 0 HG2 LYS A 86 5.151 23.726 11.689 1.00 43.24 H new ATOM 0 HG3 LYS A 86 4.347 24.201 13.173 1.00 43.24 H new ATOM 0 HD2 LYS A 86 4.955 26.207 11.950 1.00 42.21 H new ATOM 0 HD3 LYS A 86 5.935 26.121 13.401 1.00 42.21 H new ATOM 0 HE2 LYS A 86 7.885 25.801 12.239 1.00 73.21 H new ATOM 0 HE3 LYS A 86 7.127 24.785 11.029 1.00 73.21 H new ATOM 0 HZ1 LYS A 86 7.862 26.875 10.084 1.00 33.42 H new ATOM 0 HZ2 LYS A 86 6.169 26.767 10.006 1.00 33.42 H new ATOM 0 HZ3 LYS A 86 6.904 27.751 11.178 1.00 33.42 H new ATOM 1376 N GLN A 87 4.124 24.316 15.635 1.00 25.30 N ATOM 1377 CA GLN A 87 3.633 25.341 16.548 1.00 2.02 C ATOM 1378 C GLN A 87 3.417 24.768 17.945 1.00 44.10 C ATOM 1379 O GLN A 87 3.786 25.386 18.944 1.00 2.51 O ATOM 1380 CB GLN A 87 2.328 25.941 16.022 1.00 53.32 C ATOM 1381 CG GLN A 87 2.528 27.191 15.180 1.00 53.53 C ATOM 1382 CD GLN A 87 1.227 27.726 14.613 1.00 42.13 C ATOM 1383 OE1 GLN A 87 0.296 26.968 14.342 1.00 43.11 O ATOM 1384 NE2 GLN A 87 1.157 29.040 14.431 1.00 42.02 N ATOM 0 H GLN A 87 3.445 24.013 14.936 1.00 25.30 H new ATOM 0 HA GLN A 87 4.386 26.127 16.610 1.00 2.02 H new ATOM 0 HB2 GLN A 87 1.808 25.191 15.426 1.00 53.32 H new ATOM 0 HB3 GLN A 87 1.682 26.182 16.867 1.00 53.32 H new ATOM 0 HG2 GLN A 87 3.000 27.963 15.788 1.00 53.53 H new ATOM 0 HG3 GLN A 87 3.212 26.968 14.361 1.00 53.53 H new ATOM 0 HE21 GLN A 87 1.953 29.631 14.670 1.00 42.02 H new ATOM 0 HE22 GLN A 87 0.307 29.458 14.053 1.00 42.02 H new ATOM 1393 N ALA A 88 2.817 23.584 18.006 1.00 32.32 N ATOM 1394 CA ALA A 88 2.553 22.927 19.281 1.00 15.53 C ATOM 1395 C ALA A 88 3.850 22.628 20.023 1.00 1.10 C ATOM 1396 O ALA A 88 3.897 22.669 21.253 1.00 44.33 O ATOM 1397 CB ALA A 88 1.761 21.646 19.060 1.00 3.01 C ATOM 0 H ALA A 88 2.505 23.060 17.188 1.00 32.32 H new ATOM 0 HA ALA A 88 1.962 23.605 19.896 1.00 15.53 H new ATOM 0 HB1 ALA A 88 1.571 21.166 20.020 1.00 3.01 H new ATOM 0 HB2 ALA A 88 0.812 21.883 18.579 1.00 3.01 H new ATOM 0 HB3 ALA A 88 2.332 20.970 18.423 1.00 3.01 H new ATOM 1403 N LEU A 89 4.902 22.327 19.269 1.00 61.02 N ATOM 1404 CA LEU A 89 6.202 22.020 19.856 1.00 23.11 C ATOM 1405 C LEU A 89 6.769 23.234 20.587 1.00 45.54 C ATOM 1406 O LEU A 89 7.250 23.124 21.714 1.00 40.23 O ATOM 1407 CB LEU A 89 7.177 21.562 18.772 1.00 44.43 C ATOM 1408 CG LEU A 89 8.639 21.421 19.199 1.00 33.02 C ATOM 1409 CD1 LEU A 89 8.804 20.258 20.165 1.00 54.11 C ATOM 1410 CD2 LEU A 89 9.536 21.238 17.983 1.00 52.03 C ATOM 0 H LEU A 89 4.880 22.289 18.250 1.00 61.02 H new ATOM 0 HA LEU A 89 6.067 21.214 20.578 1.00 23.11 H new ATOM 0 HB2 LEU A 89 6.837 20.600 18.389 1.00 44.43 H new ATOM 0 HB3 LEU A 89 7.128 22.270 17.945 1.00 44.43 H new ATOM 0 HG LEU A 89 8.937 22.336 19.710 1.00 33.02 H new ATOM 0 HD11 LEU A 89 9.851 20.174 20.457 1.00 54.11 H new ATOM 0 HD12 LEU A 89 8.193 20.431 21.051 1.00 54.11 H new ATOM 0 HD13 LEU A 89 8.487 19.335 19.680 1.00 54.11 H new ATOM 0 HD21 LEU A 89 10.572 21.139 18.307 1.00 52.03 H new ATOM 0 HD22 LEU A 89 9.238 20.340 17.443 1.00 52.03 H new ATOM 0 HD23 LEU A 89 9.441 22.104 17.328 1.00 52.03 H new ATOM 1422 N GLY A 90 6.708 24.392 19.936 1.00 61.11 N ATOM 1423 CA GLY A 90 7.218 25.609 20.540 1.00 11.00 C ATOM 1424 C GLY A 90 6.621 25.871 21.909 1.00 44.15 C ATOM 1425 O GLY A 90 7.299 26.379 22.802 1.00 3.23 O ATOM 0 H GLY A 90 6.315 24.509 19.002 1.00 61.11 H new ATOM 0 HA2 GLY A 90 8.302 25.541 20.627 1.00 11.00 H new ATOM 0 HA3 GLY A 90 7.003 26.454 19.885 1.00 11.00 H new ATOM 1429 N ARG A 91 5.348 25.526 22.074 1.00 65.14 N ATOM 1430 CA ARG A 91 4.660 25.729 23.343 1.00 62.31 C ATOM 1431 C ARG A 91 5.151 24.736 24.393 1.00 55.21 C ATOM 1432 O ARG A 91 5.159 25.033 25.587 1.00 33.14 O ATOM 1433 CB ARG A 91 3.149 25.585 23.156 1.00 71.42 C ATOM 1434 CG ARG A 91 2.356 26.779 23.663 1.00 62.23 C ATOM 1435 CD ARG A 91 0.864 26.596 23.432 1.00 1.12 C ATOM 1436 NE ARG A 91 0.301 27.671 22.620 1.00 12.13 N ATOM 1437 CZ ARG A 91 -0.909 27.622 22.072 1.00 45.22 C ATOM 1438 NH1 ARG A 91 -1.678 26.557 22.249 1.00 44.24 N ATOM 1439 NH2 ARG A 91 -1.351 28.641 21.346 1.00 43.22 N ATOM 0 H ARG A 91 4.773 25.105 21.345 1.00 65.14 H new ATOM 0 HA ARG A 91 4.882 26.738 23.691 1.00 62.31 H new ATOM 0 HB2 ARG A 91 2.935 25.440 22.097 1.00 71.42 H new ATOM 0 HB3 ARG A 91 2.811 24.688 23.675 1.00 71.42 H new ATOM 0 HG2 ARG A 91 2.546 26.918 24.727 1.00 62.23 H new ATOM 0 HG3 ARG A 91 2.695 27.683 23.158 1.00 62.23 H new ATOM 0 HD2 ARG A 91 0.688 25.639 22.940 1.00 1.12 H new ATOM 0 HD3 ARG A 91 0.350 26.560 24.393 1.00 1.12 H new ATOM 0 HE ARG A 91 0.867 28.505 22.465 1.00 12.13 H new ATOM 0 HH11 ARG A 91 -1.342 25.772 22.807 1.00 44.24 H new ATOM 0 HH12 ARG A 91 -2.606 26.522 21.827 1.00 44.24 H new ATOM 0 HH21 ARG A 91 -0.762 29.462 21.208 1.00 43.22 H new ATOM 0 HH22 ARG A 91 -2.280 28.603 20.926 1.00 43.22 H new ATOM 1453 N ALA A 92 5.558 23.555 23.938 1.00 33.33 N ATOM 1454 CA ALA A 92 6.051 22.520 24.838 1.00 55.32 C ATOM 1455 C ALA A 92 7.374 22.930 25.475 1.00 44.21 C ATOM 1456 O ALA A 92 7.651 22.591 26.626 1.00 71.04 O ATOM 1457 CB ALA A 92 6.209 21.204 24.091 1.00 42.02 C ATOM 0 H ALA A 92 5.556 23.292 22.953 1.00 33.33 H new ATOM 0 HA ALA A 92 5.320 22.388 25.635 1.00 55.32 H new ATOM 0 HB1 ALA A 92 6.578 20.440 24.775 1.00 42.02 H new ATOM 0 HB2 ALA A 92 5.244 20.896 23.689 1.00 42.02 H new ATOM 0 HB3 ALA A 92 6.919 21.333 23.274 1.00 42.02 H new ATOM 1463 N CYS A 93 8.187 23.661 24.721 1.00 1.33 N ATOM 1464 CA CYS A 93 9.483 24.117 25.212 1.00 33.11 C ATOM 1465 C CYS A 93 9.350 25.452 25.939 1.00 15.31 C ATOM 1466 O CYS A 93 10.138 25.766 26.829 1.00 23.14 O ATOM 1467 CB CYS A 93 10.473 24.249 24.054 1.00 33.03 C ATOM 1468 SG CYS A 93 10.715 22.724 23.112 1.00 23.44 S ATOM 0 H CYS A 93 7.972 23.951 23.767 1.00 1.33 H new ATOM 0 HA CYS A 93 9.858 23.376 25.918 1.00 33.11 H new ATOM 0 HB2 CYS A 93 10.123 25.029 23.378 1.00 33.03 H new ATOM 0 HB3 CYS A 93 11.435 24.577 24.448 1.00 33.03 H new ATOM 0 HG CYS A 93 11.567 22.937 22.153 1.00 23.44 H new ATOM 1474 N GLY A 94 8.346 26.233 25.551 1.00 2.13 N ATOM 1475 CA GLY A 94 8.129 27.525 26.174 1.00 11.13 C ATOM 1476 C GLY A 94 8.868 28.643 25.465 1.00 44.44 C ATOM 1477 O GLY A 94 9.655 29.365 26.078 1.00 54.32 O ATOM 0 H GLY A 94 7.680 25.994 24.817 1.00 2.13 H new ATOM 0 HA2 GLY A 94 7.062 27.747 26.181 1.00 11.13 H new ATOM 0 HA3 GLY A 94 8.453 27.482 27.214 1.00 11.13 H new ATOM 1481 N VAL A 95 8.617 28.785 24.167 1.00 2.13 N ATOM 1482 CA VAL A 95 9.265 29.823 23.373 1.00 42.54 C ATOM 1483 C VAL A 95 8.246 30.596 22.543 1.00 32.32 C ATOM 1484 O VAL A 95 7.263 30.032 22.065 1.00 15.22 O ATOM 1485 CB VAL A 95 10.329 29.226 22.432 1.00 52.21 C ATOM 1486 CG1 VAL A 95 11.114 30.332 21.743 1.00 33.41 C ATOM 1487 CG2 VAL A 95 11.260 28.299 23.200 1.00 33.45 C ATOM 0 H VAL A 95 7.970 28.195 23.643 1.00 2.13 H new ATOM 0 HA VAL A 95 9.749 30.503 24.074 1.00 42.54 H new ATOM 0 HB VAL A 95 9.823 28.641 21.665 1.00 52.21 H new ATOM 0 HG11 VAL A 95 11.861 29.891 21.083 1.00 33.41 H new ATOM 0 HG12 VAL A 95 10.434 30.952 21.159 1.00 33.41 H new ATOM 0 HG13 VAL A 95 11.611 30.947 22.493 1.00 33.41 H new ATOM 0 HG21 VAL A 95 12.005 27.886 22.520 1.00 33.45 H new ATOM 0 HG22 VAL A 95 11.761 28.859 23.990 1.00 33.45 H new ATOM 0 HG23 VAL A 95 10.682 27.487 23.641 1.00 33.45 H new ATOM 1497 N SER A 96 8.489 31.893 22.377 1.00 54.50 N ATOM 1498 CA SER A 96 7.591 32.746 21.608 1.00 40.23 C ATOM 1499 C SER A 96 7.619 32.372 20.130 1.00 3.12 C ATOM 1500 O SER A 96 6.640 32.567 19.409 1.00 21.35 O ATOM 1501 CB SER A 96 7.977 34.216 21.782 1.00 13.44 C ATOM 1502 OG SER A 96 9.204 34.501 21.133 1.00 45.25 O ATOM 0 H SER A 96 9.300 32.375 22.765 1.00 54.50 H new ATOM 0 HA SER A 96 6.578 32.597 21.983 1.00 40.23 H new ATOM 0 HB2 SER A 96 7.191 34.852 21.376 1.00 13.44 H new ATOM 0 HB3 SER A 96 8.060 34.450 22.843 1.00 13.44 H new ATOM 0 HG SER A 96 9.428 35.447 21.257 1.00 45.25 H new ATOM 1508 N ARG A 97 8.750 31.833 19.683 1.00 70.33 N ATOM 1509 CA ARG A 97 8.908 31.433 18.290 1.00 53.02 C ATOM 1510 C ARG A 97 9.021 29.916 18.171 1.00 61.13 C ATOM 1511 O ARG A 97 9.328 29.214 19.134 1.00 52.55 O ATOM 1512 CB ARG A 97 10.146 32.096 17.684 1.00 71.41 C ATOM 1513 CG ARG A 97 9.832 33.342 16.871 1.00 41.25 C ATOM 1514 CD ARG A 97 11.101 34.077 16.467 1.00 75.13 C ATOM 1515 NE ARG A 97 10.863 35.020 15.378 1.00 21.41 N ATOM 1516 CZ ARG A 97 11.798 35.826 14.887 1.00 61.20 C ATOM 1517 NH1 ARG A 97 13.027 35.803 15.386 1.00 22.24 N ATOM 1518 NH2 ARG A 97 11.505 36.657 13.895 1.00 11.32 N ATOM 0 H ARG A 97 9.570 31.664 20.266 1.00 70.33 H new ATOM 0 HA ARG A 97 8.025 31.759 17.741 1.00 53.02 H new ATOM 0 HB2 ARG A 97 10.836 32.360 18.486 1.00 71.41 H new ATOM 0 HB3 ARG A 97 10.658 31.376 17.046 1.00 71.41 H new ATOM 0 HG2 ARG A 97 9.271 33.064 15.979 1.00 41.25 H new ATOM 0 HG3 ARG A 97 9.195 34.007 17.454 1.00 41.25 H new ATOM 0 HD2 ARG A 97 11.500 34.612 17.329 1.00 75.13 H new ATOM 0 HD3 ARG A 97 11.857 33.354 16.162 1.00 75.13 H new ATOM 0 HE ARG A 97 9.928 35.062 14.972 1.00 21.41 H new ATOM 0 HH11 ARG A 97 13.256 35.165 16.149 1.00 22.24 H new ATOM 0 HH12 ARG A 97 13.743 36.423 15.007 1.00 22.24 H new ATOM 0 HH21 ARG A 97 10.561 36.677 13.509 1.00 11.32 H new ATOM 0 HH22 ARG A 97 12.224 37.275 13.519 1.00 11.32 H new ATOM 1532 N PRO A 98 8.767 29.397 16.960 1.00 41.10 N ATOM 1533 CA PRO A 98 8.834 27.958 16.685 1.00 73.51 C ATOM 1534 C PRO A 98 10.263 27.427 16.722 1.00 12.12 C ATOM 1535 O PRO A 98 11.223 28.192 16.623 1.00 75.04 O ATOM 1536 CB PRO A 98 8.254 27.840 15.273 1.00 62.35 C ATOM 1537 CG PRO A 98 8.498 29.171 14.652 1.00 2.25 C ATOM 1538 CD PRO A 98 8.395 30.174 15.767 1.00 23.35 C ATOM 0 HA PRO A 98 8.296 27.374 17.431 1.00 73.51 H new ATOM 0 HB2 PRO A 98 8.742 27.045 14.710 1.00 62.35 H new ATOM 0 HB3 PRO A 98 7.190 27.605 15.300 1.00 62.35 H new ATOM 0 HG2 PRO A 98 9.481 29.208 14.183 1.00 2.25 H new ATOM 0 HG3 PRO A 98 7.765 29.378 13.872 1.00 2.25 H new ATOM 0 HD2 PRO A 98 9.067 31.018 15.612 1.00 23.35 H new ATOM 0 HD3 PRO A 98 7.387 30.580 15.850 1.00 23.35 H new ATOM 1546 N VAL A 99 10.397 26.112 16.862 1.00 31.14 N ATOM 1547 CA VAL A 99 11.709 25.478 16.909 1.00 23.13 C ATOM 1548 C VAL A 99 11.908 24.538 15.725 1.00 31.51 C ATOM 1549 O VAL A 99 10.951 23.954 15.215 1.00 73.14 O ATOM 1550 CB VAL A 99 11.903 24.687 18.217 1.00 2.24 C ATOM 1551 CG1 VAL A 99 13.337 24.194 18.333 1.00 72.20 C ATOM 1552 CG2 VAL A 99 11.526 25.542 19.417 1.00 14.23 C ATOM 0 H VAL A 99 9.613 25.465 16.945 1.00 31.14 H new ATOM 0 HA VAL A 99 12.449 26.277 16.863 1.00 23.13 H new ATOM 0 HB VAL A 99 11.245 23.818 18.198 1.00 2.24 H new ATOM 0 HG11 VAL A 99 13.456 23.637 19.263 1.00 72.20 H new ATOM 0 HG12 VAL A 99 13.568 23.544 17.489 1.00 72.20 H new ATOM 0 HG13 VAL A 99 14.016 25.047 18.331 1.00 72.20 H new ATOM 0 HG21 VAL A 99 11.669 24.968 20.332 1.00 14.23 H new ATOM 0 HG22 VAL A 99 12.157 26.430 19.444 1.00 14.23 H new ATOM 0 HG23 VAL A 99 10.481 25.842 19.336 1.00 14.23 H new ATOM 1562 N ILE A 100 13.156 24.397 15.292 1.00 25.42 N ATOM 1563 CA ILE A 100 13.481 23.527 14.169 1.00 61.11 C ATOM 1564 C ILE A 100 14.102 22.220 14.648 1.00 71.10 C ATOM 1565 O ILE A 100 13.914 21.170 14.035 1.00 54.22 O ATOM 1566 CB ILE A 100 14.450 24.212 13.187 1.00 34.12 C ATOM 1567 CG1 ILE A 100 15.677 24.741 13.932 1.00 73.42 C ATOM 1568 CG2 ILE A 100 13.744 25.341 12.449 1.00 65.32 C ATOM 1569 CD1 ILE A 100 16.718 25.353 13.022 1.00 64.44 C ATOM 0 H ILE A 100 13.959 24.874 15.702 1.00 25.42 H new ATOM 0 HA ILE A 100 12.544 23.315 13.654 1.00 61.11 H new ATOM 0 HB ILE A 100 14.783 23.476 12.455 1.00 34.12 H new ATOM 0 HG12 ILE A 100 15.357 25.488 14.659 1.00 73.42 H new ATOM 0 HG13 ILE A 100 16.131 23.924 14.493 1.00 73.42 H new ATOM 0 HG21 ILE A 100 14.441 25.816 11.759 1.00 65.32 H new ATOM 0 HG22 ILE A 100 12.898 24.938 11.891 1.00 65.32 H new ATOM 0 HG23 ILE A 100 13.387 26.078 13.168 1.00 65.32 H new ATOM 0 HD11 ILE A 100 17.559 25.707 13.618 1.00 64.44 H new ATOM 0 HD12 ILE A 100 17.066 24.603 12.312 1.00 64.44 H new ATOM 0 HD13 ILE A 100 16.280 26.191 12.480 1.00 64.44 H new ATOM 1581 N ALA A 101 14.842 22.292 15.750 1.00 41.03 N ATOM 1582 CA ALA A 101 15.488 21.113 16.315 1.00 23.00 C ATOM 1583 C ALA A 101 15.783 21.307 17.798 1.00 65.30 C ATOM 1584 O ALA A 101 16.557 22.188 18.177 1.00 3.13 O ATOM 1585 CB ALA A 101 16.769 20.799 15.556 1.00 22.30 C ATOM 0 H ALA A 101 15.009 23.154 16.269 1.00 41.03 H new ATOM 0 HA ALA A 101 14.804 20.270 16.215 1.00 23.00 H new ATOM 0 HB1 ALA A 101 17.241 19.917 15.988 1.00 22.30 H new ATOM 0 HB2 ALA A 101 16.534 20.609 14.509 1.00 22.30 H new ATOM 0 HB3 ALA A 101 17.451 21.647 15.627 1.00 22.30 H new ATOM 1591 N CYS A 102 15.163 20.481 18.633 1.00 53.04 N ATOM 1592 CA CYS A 102 15.359 20.563 20.076 1.00 40.20 C ATOM 1593 C CYS A 102 15.960 19.270 20.618 1.00 12.35 C ATOM 1594 O CYS A 102 15.719 18.189 20.080 1.00 30.12 O ATOM 1595 CB CYS A 102 14.031 20.855 20.776 1.00 10.52 C ATOM 1596 SG CYS A 102 12.684 19.747 20.296 1.00 63.34 S ATOM 0 H CYS A 102 14.520 19.747 18.336 1.00 53.04 H new ATOM 0 HA CYS A 102 16.055 21.378 20.277 1.00 40.20 H new ATOM 0 HB2 CYS A 102 14.178 20.785 21.854 1.00 10.52 H new ATOM 0 HB3 CYS A 102 13.737 21.882 20.560 1.00 10.52 H new ATOM 0 HG CYS A 102 11.860 19.609 21.292 1.00 63.34 H new ATOM 1602 N SER A 103 16.743 19.388 21.685 1.00 32.20 N ATOM 1603 CA SER A 103 17.383 18.229 22.296 1.00 34.23 C ATOM 1604 C SER A 103 16.590 17.747 23.508 1.00 0.34 C ATOM 1605 O SER A 103 15.927 18.534 24.183 1.00 14.14 O ATOM 1606 CB SER A 103 18.814 18.571 22.713 1.00 21.31 C ATOM 1607 OG SER A 103 18.910 18.746 24.116 1.00 54.42 O ATOM 0 H SER A 103 16.950 20.275 22.145 1.00 32.20 H new ATOM 0 HA SER A 103 17.409 17.428 21.558 1.00 34.23 H new ATOM 0 HB2 SER A 103 19.488 17.775 22.396 1.00 21.31 H new ATOM 0 HB3 SER A 103 19.135 19.482 22.207 1.00 21.31 H new ATOM 0 HG SER A 103 19.021 17.873 24.548 1.00 54.42 H new ATOM 1613 N VAL A 104 16.664 16.447 23.776 1.00 33.21 N ATOM 1614 CA VAL A 104 15.955 15.859 24.906 1.00 63.42 C ATOM 1615 C VAL A 104 16.907 15.078 25.806 1.00 3.00 C ATOM 1616 O VAL A 104 17.398 14.013 25.433 1.00 52.55 O ATOM 1617 CB VAL A 104 14.828 14.922 24.435 1.00 12.43 C ATOM 1618 CG1 VAL A 104 14.121 14.293 25.627 1.00 5.23 C ATOM 1619 CG2 VAL A 104 13.840 15.676 23.557 1.00 44.40 C ATOM 0 H VAL A 104 17.207 15.782 23.226 1.00 33.21 H new ATOM 0 HA VAL A 104 15.520 16.684 25.470 1.00 63.42 H new ATOM 0 HB VAL A 104 15.270 14.122 23.842 1.00 12.43 H new ATOM 0 HG11 VAL A 104 13.328 13.634 25.273 1.00 5.23 H new ATOM 0 HG12 VAL A 104 14.837 13.717 26.212 1.00 5.23 H new ATOM 0 HG13 VAL A 104 13.691 15.077 26.250 1.00 5.23 H new ATOM 0 HG21 VAL A 104 13.050 14.998 23.233 1.00 44.40 H new ATOM 0 HG22 VAL A 104 13.403 16.498 24.124 1.00 44.40 H new ATOM 0 HG23 VAL A 104 14.358 16.073 22.684 1.00 44.40 H new ATOM 1629 N THR A 105 17.165 15.616 26.993 1.00 74.31 N ATOM 1630 CA THR A 105 18.058 14.972 27.948 1.00 11.41 C ATOM 1631 C THR A 105 17.276 14.143 28.961 1.00 22.54 C ATOM 1632 O THR A 105 16.356 14.645 29.608 1.00 63.24 O ATOM 1633 CB THR A 105 18.917 16.005 28.699 1.00 74.53 C ATOM 1634 OG1 THR A 105 18.093 16.785 29.574 1.00 54.42 O ATOM 1635 CG2 THR A 105 19.639 16.922 27.724 1.00 11.30 C ATOM 0 H THR A 105 16.767 16.498 27.317 1.00 74.31 H new ATOM 0 HA THR A 105 18.712 14.315 27.375 1.00 11.41 H new ATOM 0 HB THR A 105 19.662 15.466 29.285 1.00 74.53 H new ATOM 0 HG1 THR A 105 17.417 17.261 29.048 1.00 54.42 H new ATOM 0 HG21 THR A 105 20.239 17.643 28.279 1.00 11.30 H new ATOM 0 HG22 THR A 105 20.288 16.329 27.080 1.00 11.30 H new ATOM 0 HG23 THR A 105 18.908 17.452 27.114 1.00 11.30 H new ATOM 1643 N ILE A 106 17.646 12.875 29.093 1.00 62.34 N ATOM 1644 CA ILE A 106 16.980 11.978 30.031 1.00 23.04 C ATOM 1645 C ILE A 106 17.403 12.271 31.466 1.00 21.01 C ATOM 1646 O ILE A 106 18.587 12.442 31.754 1.00 3.04 O ATOM 1647 CB ILE A 106 17.281 10.503 29.708 1.00 43.05 C ATOM 1648 CG1 ILE A 106 16.508 9.584 30.657 1.00 63.42 C ATOM 1649 CG2 ILE A 106 18.776 10.234 29.801 1.00 35.41 C ATOM 1650 CD1 ILE A 106 16.495 8.136 30.218 1.00 33.05 C ATOM 0 H ILE A 106 18.403 12.444 28.563 1.00 62.34 H new ATOM 0 HA ILE A 106 15.909 12.152 29.929 1.00 23.04 H new ATOM 0 HB ILE A 106 16.958 10.296 28.688 1.00 43.05 H new ATOM 0 HG12 ILE A 106 16.948 9.650 31.652 1.00 63.42 H new ATOM 0 HG13 ILE A 106 15.481 9.940 30.738 1.00 63.42 H new ATOM 0 HG21 ILE A 106 18.972 9.187 29.570 1.00 35.41 H new ATOM 0 HG22 ILE A 106 19.305 10.868 29.089 1.00 35.41 H new ATOM 0 HG23 ILE A 106 19.123 10.454 30.811 1.00 35.41 H new ATOM 0 HD11 ILE A 106 15.930 7.543 30.937 1.00 33.05 H new ATOM 0 HD12 ILE A 106 16.028 8.058 29.236 1.00 33.05 H new ATOM 0 HD13 ILE A 106 17.518 7.763 30.164 1.00 33.05 H new ATOM 1662 N LYS A 107 16.426 12.324 32.365 1.00 43.43 N ATOM 1663 CA LYS A 107 16.695 12.592 33.773 1.00 21.14 C ATOM 1664 C LYS A 107 16.698 11.299 34.582 1.00 65.13 C ATOM 1665 O LYS A 107 15.660 10.662 34.754 1.00 1.43 O ATOM 1666 CB LYS A 107 15.651 13.557 34.339 1.00 44.21 C ATOM 1667 CG LYS A 107 14.219 13.098 34.124 1.00 45.22 C ATOM 1668 CD LYS A 107 13.412 14.130 33.354 1.00 41.13 C ATOM 1669 CE LYS A 107 13.429 13.848 31.859 1.00 63.31 C ATOM 1670 NZ LYS A 107 12.452 14.699 31.124 1.00 44.33 N ATOM 0 H LYS A 107 15.440 12.185 32.143 1.00 43.43 H new ATOM 0 HA LYS A 107 17.682 13.049 33.847 1.00 21.14 H new ATOM 0 HB2 LYS A 107 15.827 13.683 35.407 1.00 44.21 H new ATOM 0 HB3 LYS A 107 15.784 14.535 33.876 1.00 44.21 H new ATOM 0 HG2 LYS A 107 14.217 12.153 33.580 1.00 45.22 H new ATOM 0 HG3 LYS A 107 13.747 12.912 35.089 1.00 45.22 H new ATOM 0 HD2 LYS A 107 12.383 14.131 33.714 1.00 41.13 H new ATOM 0 HD3 LYS A 107 13.817 15.124 33.542 1.00 41.13 H new ATOM 0 HE2 LYS A 107 14.431 14.024 31.467 1.00 63.31 H new ATOM 0 HE3 LYS A 107 13.199 12.797 31.685 1.00 63.31 H new ATOM 0 HZ1 LYS A 107 11.713 14.098 30.706 1.00 44.33 H new ATOM 0 HZ2 LYS A 107 12.016 15.376 31.783 1.00 44.33 H new ATOM 0 HZ3 LYS A 107 12.943 15.219 30.369 1.00 44.33 H new ATOM 1684 N GLU A 108 17.872 10.919 35.078 1.00 4.31 N ATOM 1685 CA GLU A 108 18.009 9.702 35.869 1.00 15.05 C ATOM 1686 C GLU A 108 17.751 9.982 37.347 1.00 73.32 C ATOM 1687 O GLU A 108 18.388 10.848 37.946 1.00 63.11 O ATOM 1688 CB GLU A 108 19.404 9.102 35.688 1.00 22.43 C ATOM 1689 CG GLU A 108 19.417 7.829 34.860 1.00 41.51 C ATOM 1690 CD GLU A 108 20.096 8.013 33.517 1.00 2.23 C ATOM 1691 OE1 GLU A 108 21.187 8.620 33.480 1.00 73.33 O ATOM 1692 OE2 GLU A 108 19.537 7.549 32.501 1.00 73.04 O ATOM 0 H GLU A 108 18.741 11.436 34.946 1.00 4.31 H new ATOM 0 HA GLU A 108 17.266 8.986 35.517 1.00 15.05 H new ATOM 0 HB2 GLU A 108 20.049 9.841 35.213 1.00 22.43 H new ATOM 0 HB3 GLU A 108 19.830 8.891 36.669 1.00 22.43 H new ATOM 0 HG2 GLU A 108 19.928 7.043 35.417 1.00 41.51 H new ATOM 0 HG3 GLU A 108 18.392 7.493 34.702 1.00 41.51 H new ATOM 1699 N GLY A 109 16.812 9.243 37.929 1.00 34.04 N ATOM 1700 CA GLY A 109 16.485 9.428 39.332 1.00 42.11 C ATOM 1701 C GLY A 109 14.997 9.602 39.563 1.00 25.24 C ATOM 1702 O GLY A 109 14.510 9.419 40.678 1.00 5.22 O ATOM 0 H GLY A 109 16.272 8.519 37.455 1.00 34.04 H new ATOM 0 HA2 GLY A 109 16.840 8.568 39.901 1.00 42.11 H new ATOM 0 HA3 GLY A 109 17.013 10.302 39.713 1.00 42.11 H new ATOM 1706 N SER A 110 14.275 9.961 38.507 1.00 54.11 N ATOM 1707 CA SER A 110 12.834 10.166 38.601 1.00 22.34 C ATOM 1708 C SER A 110 12.085 9.202 37.686 1.00 64.35 C ATOM 1709 O SER A 110 12.687 8.543 36.837 1.00 71.54 O ATOM 1710 CB SER A 110 12.478 11.610 38.238 1.00 74.54 C ATOM 1711 OG SER A 110 12.388 12.419 39.399 1.00 0.51 O ATOM 0 H SER A 110 14.664 10.116 37.577 1.00 54.11 H new ATOM 0 HA SER A 110 12.532 9.971 39.630 1.00 22.34 H new ATOM 0 HB2 SER A 110 13.233 12.016 37.565 1.00 74.54 H new ATOM 0 HB3 SER A 110 11.529 11.631 37.702 1.00 74.54 H new ATOM 0 HG SER A 110 13.140 13.047 39.419 1.00 0.51 H new ATOM 1717 N GLN A 111 10.771 9.124 37.866 1.00 3.44 N ATOM 1718 CA GLN A 111 9.941 8.240 37.056 1.00 73.14 C ATOM 1719 C GLN A 111 9.887 8.716 35.609 1.00 25.01 C ATOM 1720 O GLN A 111 9.652 7.927 34.693 1.00 1.05 O ATOM 1721 CB GLN A 111 8.527 8.164 37.633 1.00 73.22 C ATOM 1722 CG GLN A 111 7.880 9.524 37.838 1.00 1.15 C ATOM 1723 CD GLN A 111 6.506 9.618 37.203 1.00 61.22 C ATOM 1724 OE1 GLN A 111 5.721 8.671 37.251 1.00 51.21 O ATOM 1725 NE2 GLN A 111 6.208 10.766 36.604 1.00 11.41 N ATOM 0 H GLN A 111 10.258 9.662 38.565 1.00 3.44 H new ATOM 0 HA GLN A 111 10.388 7.246 37.075 1.00 73.14 H new ATOM 0 HB2 GLN A 111 7.902 7.571 36.965 1.00 73.22 H new ATOM 0 HB3 GLN A 111 8.561 7.639 38.588 1.00 73.22 H new ATOM 0 HG2 GLN A 111 7.797 9.725 38.906 1.00 1.15 H new ATOM 0 HG3 GLN A 111 8.524 10.296 37.417 1.00 1.15 H new ATOM 0 HE21 GLN A 111 6.889 11.525 36.588 1.00 11.41 H new ATOM 0 HE22 GLN A 111 5.298 10.888 36.160 1.00 11.41 H new ATOM 1734 N LEU A 112 10.108 10.011 35.408 1.00 53.04 N ATOM 1735 CA LEU A 112 10.085 10.594 34.071 1.00 31.42 C ATOM 1736 C LEU A 112 10.994 9.818 33.123 1.00 73.21 C ATOM 1737 O LEU A 112 10.740 9.748 31.921 1.00 23.43 O ATOM 1738 CB LEU A 112 10.518 12.060 34.125 1.00 15.22 C ATOM 1739 CG LEU A 112 9.521 13.075 33.564 1.00 52.51 C ATOM 1740 CD1 LEU A 112 9.708 14.431 34.228 1.00 54.42 C ATOM 1741 CD2 LEU A 112 9.673 13.193 32.054 1.00 72.22 C ATOM 0 H LEU A 112 10.305 10.677 36.155 1.00 53.04 H new ATOM 0 HA LEU A 112 9.064 10.537 33.694 1.00 31.42 H new ATOM 0 HB2 LEU A 112 10.724 12.319 35.163 1.00 15.22 H new ATOM 0 HB3 LEU A 112 11.456 12.162 33.579 1.00 15.22 H new ATOM 0 HG LEU A 112 8.513 12.723 33.782 1.00 52.51 H new ATOM 0 HD11 LEU A 112 8.990 15.140 33.816 1.00 54.42 H new ATOM 0 HD12 LEU A 112 9.548 14.335 35.302 1.00 54.42 H new ATOM 0 HD13 LEU A 112 10.720 14.790 34.042 1.00 54.42 H new ATOM 0 HD21 LEU A 112 8.956 13.919 31.672 1.00 72.22 H new ATOM 0 HD22 LEU A 112 10.684 13.521 31.815 1.00 72.22 H new ATOM 0 HD23 LEU A 112 9.488 12.223 31.593 1.00 72.22 H new ATOM 1753 N LYS A 113 12.052 9.234 33.674 1.00 3.31 N ATOM 1754 CA LYS A 113 12.999 8.459 32.879 1.00 15.43 C ATOM 1755 C LYS A 113 12.281 7.366 32.092 1.00 23.33 C ATOM 1756 O LYS A 113 12.748 6.944 31.035 1.00 0.35 O ATOM 1757 CB LYS A 113 14.064 7.835 33.782 1.00 61.05 C ATOM 1758 CG LYS A 113 13.557 6.661 34.601 1.00 1.42 C ATOM 1759 CD LYS A 113 13.852 5.336 33.918 1.00 4.33 C ATOM 1760 CE LYS A 113 14.341 4.294 34.912 1.00 43.40 C ATOM 1761 NZ LYS A 113 13.777 2.946 34.625 1.00 5.43 N ATOM 0 H LYS A 113 12.276 9.282 34.668 1.00 3.31 H new ATOM 0 HA LYS A 113 13.481 9.135 32.173 1.00 15.43 H new ATOM 0 HB2 LYS A 113 14.901 7.503 33.167 1.00 61.05 H new ATOM 0 HB3 LYS A 113 14.448 8.599 34.458 1.00 61.05 H new ATOM 0 HG2 LYS A 113 14.023 6.675 35.586 1.00 1.42 H new ATOM 0 HG3 LYS A 113 12.483 6.761 34.755 1.00 1.42 H new ATOM 0 HD2 LYS A 113 12.952 4.973 33.422 1.00 4.33 H new ATOM 0 HD3 LYS A 113 14.605 5.484 33.144 1.00 4.33 H new ATOM 0 HE2 LYS A 113 15.430 4.246 34.882 1.00 43.40 H new ATOM 0 HE3 LYS A 113 14.063 4.597 35.922 1.00 43.40 H new ATOM 0 HZ1 LYS A 113 14.134 2.264 35.324 1.00 5.43 H new ATOM 0 HZ2 LYS A 113 12.739 2.985 34.679 1.00 5.43 H new ATOM 0 HZ3 LYS A 113 14.063 2.646 33.671 1.00 5.43 H new ATOM 1775 N GLN A 114 11.145 6.916 32.615 1.00 42.12 N ATOM 1776 CA GLN A 114 10.364 5.873 31.960 1.00 25.04 C ATOM 1777 C GLN A 114 9.644 6.422 30.732 1.00 20.20 C ATOM 1778 O GLN A 114 9.611 5.782 29.682 1.00 3.30 O ATOM 1779 CB GLN A 114 9.350 5.276 32.936 1.00 32.32 C ATOM 1780 CG GLN A 114 8.629 4.054 32.394 1.00 11.52 C ATOM 1781 CD GLN A 114 9.584 2.976 31.919 1.00 62.20 C ATOM 1782 OE1 GLN A 114 10.310 2.381 32.715 1.00 41.34 O ATOM 1783 NE2 GLN A 114 9.588 2.720 30.616 1.00 30.11 N ATOM 0 H GLN A 114 10.745 7.257 33.489 1.00 42.12 H new ATOM 0 HA GLN A 114 11.050 5.090 31.637 1.00 25.04 H new ATOM 0 HB2 GLN A 114 9.863 5.005 33.859 1.00 32.32 H new ATOM 0 HB3 GLN A 114 8.614 6.038 33.193 1.00 32.32 H new ATOM 0 HG2 GLN A 114 7.982 3.645 33.170 1.00 11.52 H new ATOM 0 HG3 GLN A 114 7.985 4.354 31.567 1.00 11.52 H new ATOM 0 HE21 GLN A 114 8.969 3.238 29.993 1.00 30.11 H new ATOM 0 HE22 GLN A 114 10.210 2.005 30.239 1.00 30.11 H new ATOM 1792 N GLN A 115 9.068 7.612 30.873 1.00 24.12 N ATOM 1793 CA GLN A 115 8.348 8.247 29.775 1.00 62.12 C ATOM 1794 C GLN A 115 9.208 8.296 28.516 1.00 52.15 C ATOM 1795 O GLN A 115 8.820 7.779 27.468 1.00 73.20 O ATOM 1796 CB GLN A 115 7.919 9.661 30.169 1.00 65.30 C ATOM 1797 CG GLN A 115 7.146 9.720 31.477 1.00 24.31 C ATOM 1798 CD GLN A 115 5.705 10.149 31.283 1.00 0.04 C ATOM 1799 OE1 GLN A 115 5.366 11.322 31.446 1.00 71.41 O ATOM 1800 NE2 GLN A 115 4.846 9.198 30.933 1.00 24.22 N ATOM 0 H GLN A 115 9.086 8.155 31.736 1.00 24.12 H new ATOM 0 HA GLN A 115 7.460 7.651 29.563 1.00 62.12 H new ATOM 0 HB2 GLN A 115 8.805 10.291 30.251 1.00 65.30 H new ATOM 0 HB3 GLN A 115 7.303 10.080 29.373 1.00 65.30 H new ATOM 0 HG2 GLN A 115 7.169 8.740 31.953 1.00 24.31 H new ATOM 0 HG3 GLN A 115 7.640 10.415 32.156 1.00 24.31 H new ATOM 0 HE21 GLN A 115 5.170 8.239 30.809 1.00 24.22 H new ATOM 0 HE22 GLN A 115 3.863 9.427 30.789 1.00 24.22 H new ATOM 1809 N ILE A 116 10.376 8.919 28.627 1.00 74.20 N ATOM 1810 CA ILE A 116 11.290 9.034 27.497 1.00 73.34 C ATOM 1811 C ILE A 116 11.629 7.662 26.924 1.00 65.31 C ATOM 1812 O ILE A 116 11.848 7.519 25.721 1.00 13.02 O ATOM 1813 CB ILE A 116 12.594 9.748 27.899 1.00 50.13 C ATOM 1814 CG1 ILE A 116 12.289 11.143 28.448 1.00 43.12 C ATOM 1815 CG2 ILE A 116 13.538 9.836 26.709 1.00 52.11 C ATOM 1816 CD1 ILE A 116 13.498 11.841 29.031 1.00 55.21 C ATOM 0 H ILE A 116 10.712 9.352 29.487 1.00 74.20 H new ATOM 0 HA ILE A 116 10.781 9.627 26.737 1.00 73.34 H new ATOM 0 HB ILE A 116 13.082 9.168 28.683 1.00 50.13 H new ATOM 0 HG12 ILE A 116 11.876 11.757 27.648 1.00 43.12 H new ATOM 0 HG13 ILE A 116 11.521 11.062 29.217 1.00 43.12 H new ATOM 0 HG21 ILE A 116 14.455 10.343 27.009 1.00 52.11 H new ATOM 0 HG22 ILE A 116 13.777 8.832 26.359 1.00 52.11 H new ATOM 0 HG23 ILE A 116 13.060 10.396 25.906 1.00 52.11 H new ATOM 0 HD11 ILE A 116 13.207 12.824 29.401 1.00 55.21 H new ATOM 0 HD12 ILE A 116 13.899 11.248 29.853 1.00 55.21 H new ATOM 0 HD13 ILE A 116 14.260 11.954 28.260 1.00 55.21 H new ATOM 1828 N GLN A 117 11.672 6.658 27.793 1.00 41.51 N ATOM 1829 CA GLN A 117 11.984 5.297 27.371 1.00 61.34 C ATOM 1830 C GLN A 117 10.903 4.752 26.444 1.00 5.04 C ATOM 1831 O GLN A 117 11.160 3.867 25.629 1.00 54.42 O ATOM 1832 CB GLN A 117 12.134 4.385 28.590 1.00 21.35 C ATOM 1833 CG GLN A 117 13.498 3.723 28.691 1.00 63.12 C ATOM 1834 CD GLN A 117 13.726 3.056 30.033 1.00 54.25 C ATOM 1835 OE1 GLN A 117 12.800 2.503 30.629 1.00 41.33 O ATOM 1836 NE2 GLN A 117 14.962 3.102 30.516 1.00 20.40 N ATOM 0 H GLN A 117 11.495 6.760 28.792 1.00 41.51 H new ATOM 0 HA GLN A 117 12.927 5.321 26.824 1.00 61.34 H new ATOM 0 HB2 GLN A 117 11.955 4.968 29.493 1.00 21.35 H new ATOM 0 HB3 GLN A 117 11.366 3.612 28.552 1.00 21.35 H new ATOM 0 HG2 GLN A 117 13.596 2.980 27.899 1.00 63.12 H new ATOM 0 HG3 GLN A 117 14.274 4.471 28.525 1.00 63.12 H new ATOM 0 HE21 GLN A 117 15.699 3.571 29.989 1.00 20.40 H new ATOM 0 HE22 GLN A 117 15.175 2.669 31.414 1.00 20.40 H new ATOM 1845 N SER A 118 9.694 5.288 26.574 1.00 30.44 N ATOM 1846 CA SER A 118 8.573 4.853 25.750 1.00 15.43 C ATOM 1847 C SER A 118 8.700 5.394 24.329 1.00 11.22 C ATOM 1848 O SER A 118 8.616 4.642 23.357 1.00 43.00 O ATOM 1849 CB SER A 118 7.250 5.314 26.365 1.00 60.35 C ATOM 1850 OG SER A 118 6.145 4.807 25.639 1.00 1.43 O ATOM 0 H SER A 118 9.466 6.024 27.242 1.00 30.44 H new ATOM 0 HA SER A 118 8.587 3.764 25.709 1.00 15.43 H new ATOM 0 HB2 SER A 118 7.192 4.981 27.401 1.00 60.35 H new ATOM 0 HB3 SER A 118 7.212 6.403 26.378 1.00 60.35 H new ATOM 0 HG SER A 118 5.312 5.115 26.054 1.00 1.43 H new ATOM 1856 N ILE A 119 8.904 6.702 24.216 1.00 74.41 N ATOM 1857 CA ILE A 119 9.045 7.343 22.915 1.00 2.14 C ATOM 1858 C ILE A 119 10.307 6.870 22.202 1.00 63.50 C ATOM 1859 O ILE A 119 10.366 6.848 20.974 1.00 45.42 O ATOM 1860 CB ILE A 119 9.086 8.877 23.045 1.00 45.22 C ATOM 1861 CG1 ILE A 119 9.056 9.529 21.662 1.00 1.25 C ATOM 1862 CG2 ILE A 119 10.326 9.311 23.814 1.00 55.52 C ATOM 1863 CD1 ILE A 119 8.882 11.031 21.705 1.00 33.14 C ATOM 0 H ILE A 119 8.975 7.338 25.010 1.00 74.41 H new ATOM 0 HA ILE A 119 8.172 7.059 22.328 1.00 2.14 H new ATOM 0 HB ILE A 119 8.206 9.203 23.599 1.00 45.22 H new ATOM 0 HG12 ILE A 119 9.983 9.294 21.138 1.00 1.25 H new ATOM 0 HG13 ILE A 119 8.242 9.094 21.082 1.00 1.25 H new ATOM 0 HG21 ILE A 119 10.341 10.398 23.897 1.00 55.52 H new ATOM 0 HG22 ILE A 119 10.308 8.871 24.811 1.00 55.52 H new ATOM 0 HG23 ILE A 119 11.218 8.976 23.285 1.00 55.52 H new ATOM 0 HD11 ILE A 119 8.870 11.425 20.689 1.00 33.14 H new ATOM 0 HD12 ILE A 119 7.942 11.274 22.200 1.00 33.14 H new ATOM 0 HD13 ILE A 119 9.709 11.477 22.257 1.00 33.14 H new ATOM 1875 N GLN A 120 11.315 6.493 22.983 1.00 72.23 N ATOM 1876 CA GLN A 120 12.576 6.019 22.426 1.00 43.12 C ATOM 1877 C GLN A 120 12.369 4.743 21.617 1.00 22.14 C ATOM 1878 O GLN A 120 13.013 4.539 20.588 1.00 32.24 O ATOM 1879 CB GLN A 120 13.590 5.769 23.544 1.00 55.04 C ATOM 1880 CG GLN A 120 15.013 5.581 23.045 1.00 12.32 C ATOM 1881 CD GLN A 120 15.995 5.309 24.168 1.00 53.32 C ATOM 1882 OE1 GLN A 120 16.577 4.228 24.249 1.00 52.12 O ATOM 1883 NE2 GLN A 120 16.183 6.292 25.041 1.00 13.50 N ATOM 0 H GLN A 120 11.282 6.507 24.002 1.00 72.23 H new ATOM 0 HA GLN A 120 12.962 6.791 21.760 1.00 43.12 H new ATOM 0 HB2 GLN A 120 13.566 6.608 24.239 1.00 55.04 H new ATOM 0 HB3 GLN A 120 13.290 4.883 24.103 1.00 55.04 H new ATOM 0 HG2 GLN A 120 15.039 4.753 22.337 1.00 12.32 H new ATOM 0 HG3 GLN A 120 15.325 6.474 22.503 1.00 12.32 H new ATOM 0 HE21 GLN A 120 15.678 7.172 24.935 1.00 13.50 H new ATOM 0 HE22 GLN A 120 16.832 6.167 25.818 1.00 13.50 H new ATOM 1892 N GLN A 121 11.467 3.889 22.089 1.00 42.41 N ATOM 1893 CA GLN A 121 11.176 2.632 21.408 1.00 25.04 C ATOM 1894 C GLN A 121 10.501 2.885 20.064 1.00 30.10 C ATOM 1895 O GLN A 121 10.793 2.212 19.075 1.00 75.12 O ATOM 1896 CB GLN A 121 10.285 1.749 22.282 1.00 40.41 C ATOM 1897 CG GLN A 121 11.063 0.814 23.195 1.00 0.44 C ATOM 1898 CD GLN A 121 11.547 -0.432 22.479 1.00 74.41 C ATOM 1899 OE1 GLN A 121 11.672 -0.449 21.254 1.00 71.34 O ATOM 1900 NE2 GLN A 121 11.822 -1.483 23.242 1.00 60.35 N ATOM 0 H GLN A 121 10.925 4.044 22.939 1.00 42.41 H new ATOM 0 HA GLN A 121 12.120 2.118 21.228 1.00 25.04 H new ATOM 0 HB2 GLN A 121 9.642 2.385 22.890 1.00 40.41 H new ATOM 0 HB3 GLN A 121 9.633 1.157 21.640 1.00 40.41 H new ATOM 0 HG2 GLN A 121 11.919 1.346 23.609 1.00 0.44 H new ATOM 0 HG3 GLN A 121 10.432 0.524 24.035 1.00 0.44 H new ATOM 0 HE21 GLN A 121 11.704 -1.424 24.253 1.00 60.35 H new ATOM 0 HE22 GLN A 121 12.152 -2.350 22.817 1.00 60.35 H new ATOM 1909 N SER A 122 9.596 3.858 20.036 1.00 43.41 N ATOM 1910 CA SER A 122 8.875 4.197 18.814 1.00 0.42 C ATOM 1911 C SER A 122 9.843 4.607 17.709 1.00 0.21 C ATOM 1912 O SER A 122 9.753 4.124 16.579 1.00 13.35 O ATOM 1913 CB SER A 122 7.880 5.327 19.081 1.00 2.24 C ATOM 1914 OG SER A 122 6.544 4.866 18.975 1.00 54.21 O ATOM 0 H SER A 122 9.344 4.426 20.845 1.00 43.41 H new ATOM 0 HA SER A 122 8.329 3.312 18.486 1.00 0.42 H new ATOM 0 HB2 SER A 122 8.049 5.737 20.077 1.00 2.24 H new ATOM 0 HB3 SER A 122 8.046 6.137 18.371 1.00 2.24 H new ATOM 0 HG SER A 122 5.927 5.607 19.152 1.00 54.21 H new ATOM 1920 N ILE A 123 10.769 5.501 18.042 1.00 52.43 N ATOM 1921 CA ILE A 123 11.755 5.975 17.079 1.00 13.43 C ATOM 1922 C ILE A 123 12.807 4.908 16.798 1.00 14.50 C ATOM 1923 O ILE A 123 13.209 4.706 15.653 1.00 70.53 O ATOM 1924 CB ILE A 123 12.456 7.253 17.574 1.00 32.02 C ATOM 1925 CG1 ILE A 123 11.420 8.310 17.967 1.00 1.42 C ATOM 1926 CG2 ILE A 123 13.391 7.793 16.503 1.00 4.12 C ATOM 1927 CD1 ILE A 123 12.032 9.593 18.484 1.00 75.11 C ATOM 0 H ILE A 123 10.857 5.911 18.972 1.00 52.43 H new ATOM 0 HA ILE A 123 11.215 6.200 16.159 1.00 13.43 H new ATOM 0 HB ILE A 123 13.048 7.007 18.455 1.00 32.02 H new ATOM 0 HG12 ILE A 123 10.798 8.537 17.101 1.00 1.42 H new ATOM 0 HG13 ILE A 123 10.763 7.896 18.732 1.00 1.42 H new ATOM 0 HG21 ILE A 123 13.879 8.697 16.868 1.00 4.12 H new ATOM 0 HG22 ILE A 123 14.146 7.043 16.267 1.00 4.12 H new ATOM 0 HG23 ILE A 123 12.819 8.027 15.605 1.00 4.12 H new ATOM 0 HD11 ILE A 123 11.240 10.295 18.743 1.00 75.11 H new ATOM 0 HD12 ILE A 123 12.631 9.379 19.369 1.00 75.11 H new ATOM 0 HD13 ILE A 123 12.667 10.030 17.713 1.00 75.11 H new ATOM 1939 N GLU A 124 13.246 4.225 17.851 1.00 21.40 N ATOM 1940 CA GLU A 124 14.251 3.177 17.717 1.00 30.41 C ATOM 1941 C GLU A 124 13.758 2.066 16.796 1.00 5.41 C ATOM 1942 O GLU A 124 14.473 1.630 15.893 1.00 60.24 O ATOM 1943 CB GLU A 124 14.603 2.599 19.089 1.00 33.51 C ATOM 1944 CG GLU A 124 15.610 3.435 19.862 1.00 30.01 C ATOM 1945 CD GLU A 124 17.011 3.340 19.287 1.00 35.41 C ATOM 1946 OE1 GLU A 124 17.310 4.082 18.329 1.00 45.21 O ATOM 1947 OE2 GLU A 124 17.806 2.523 19.798 1.00 21.21 O ATOM 0 H GLU A 124 12.921 4.379 18.806 1.00 21.40 H new ATOM 0 HA GLU A 124 15.145 3.620 17.277 1.00 30.41 H new ATOM 0 HB2 GLU A 124 13.691 2.506 19.679 1.00 33.51 H new ATOM 0 HB3 GLU A 124 15.002 1.593 18.959 1.00 33.51 H new ATOM 0 HG2 GLU A 124 15.290 4.477 19.859 1.00 30.01 H new ATOM 0 HG3 GLU A 124 15.625 3.109 20.902 1.00 30.01 H new ATOM 1954 N ARG A 125 12.531 1.612 17.030 1.00 45.24 N ATOM 1955 CA ARG A 125 11.942 0.549 16.223 1.00 65.51 C ATOM 1956 C ARG A 125 11.982 0.908 14.740 1.00 74.45 C ATOM 1957 O ARG A 125 12.320 0.076 13.898 1.00 11.03 O ATOM 1958 CB ARG A 125 10.499 0.290 16.658 1.00 52.12 C ATOM 1959 CG ARG A 125 10.377 -0.705 17.801 1.00 2.54 C ATOM 1960 CD ARG A 125 9.749 -2.010 17.337 1.00 52.32 C ATOM 1961 NE ARG A 125 10.180 -3.143 18.151 1.00 55.53 N ATOM 1962 CZ ARG A 125 9.665 -4.364 18.043 1.00 75.44 C ATOM 1963 NH1 ARG A 125 8.706 -4.607 17.160 1.00 41.12 N ATOM 1964 NH2 ARG A 125 10.110 -5.344 18.820 1.00 34.12 N ATOM 0 H ARG A 125 11.925 1.963 17.772 1.00 45.24 H new ATOM 0 HA ARG A 125 12.528 -0.357 16.376 1.00 65.51 H new ATOM 0 HB2 ARG A 125 10.044 1.234 16.959 1.00 52.12 H new ATOM 0 HB3 ARG A 125 9.932 -0.079 15.804 1.00 52.12 H new ATOM 0 HG2 ARG A 125 11.364 -0.903 18.220 1.00 2.54 H new ATOM 0 HG3 ARG A 125 9.773 -0.273 18.599 1.00 2.54 H new ATOM 0 HD2 ARG A 125 8.663 -1.925 17.379 1.00 52.32 H new ATOM 0 HD3 ARG A 125 10.014 -2.190 16.295 1.00 52.32 H new ATOM 0 HE ARG A 125 10.916 -2.989 18.840 1.00 55.53 H new ATOM 0 HH11 ARG A 125 8.362 -3.856 16.562 1.00 41.12 H new ATOM 0 HH12 ARG A 125 8.313 -5.545 17.079 1.00 41.12 H new ATOM 0 HH21 ARG A 125 10.847 -5.161 19.500 1.00 34.12 H new ATOM 0 HH22 ARG A 125 9.714 -6.280 18.737 1.00 34.12 H new ATOM 1978 N LEU A 126 11.633 2.152 14.429 1.00 44.10 N ATOM 1979 CA LEU A 126 11.629 2.622 13.048 1.00 14.51 C ATOM 1980 C LEU A 126 13.049 2.872 12.552 1.00 71.20 C ATOM 1981 O LEU A 126 13.321 2.801 11.353 1.00 50.25 O ATOM 1982 CB LEU A 126 10.801 3.903 12.927 1.00 52.41 C ATOM 1983 CG LEU A 126 9.320 3.716 12.591 1.00 4.13 C ATOM 1984 CD1 LEU A 126 9.155 3.232 11.158 1.00 1.41 C ATOM 1985 CD2 LEU A 126 8.671 2.742 13.563 1.00 41.02 C ATOM 0 H LEU A 126 11.349 2.853 15.114 1.00 44.10 H new ATOM 0 HA LEU A 126 11.180 1.846 12.428 1.00 14.51 H new ATOM 0 HB2 LEU A 126 10.873 4.449 13.868 1.00 52.41 H new ATOM 0 HB3 LEU A 126 11.251 4.531 12.158 1.00 52.41 H new ATOM 0 HG LEU A 126 8.821 4.680 12.687 1.00 4.13 H new ATOM 0 HD11 LEU A 126 8.095 3.105 10.937 1.00 1.41 H new ATOM 0 HD12 LEU A 126 9.583 3.966 10.475 1.00 1.41 H new ATOM 0 HD13 LEU A 126 9.669 2.279 11.035 1.00 1.41 H new ATOM 0 HD21 LEU A 126 7.618 2.621 13.309 1.00 41.02 H new ATOM 0 HD22 LEU A 126 9.172 1.776 13.500 1.00 41.02 H new ATOM 0 HD23 LEU A 126 8.757 3.130 14.578 1.00 41.02 H new ATOM 1997 N LEU A 127 13.952 3.164 13.482 1.00 51.31 N ATOM 1998 CA LEU A 127 15.346 3.422 13.140 1.00 34.41 C ATOM 1999 C LEU A 127 16.088 2.119 12.859 1.00 62.11 C ATOM 2000 O LEU A 127 17.063 2.098 12.108 1.00 2.23 O ATOM 2001 CB LEU A 127 16.037 4.181 14.275 1.00 11.12 C ATOM 2002 CG LEU A 127 16.360 5.650 14.001 1.00 10.45 C ATOM 2003 CD1 LEU A 127 17.479 5.769 12.978 1.00 51.11 C ATOM 2004 CD2 LEU A 127 15.118 6.389 13.524 1.00 3.33 C ATOM 0 H LEU A 127 13.743 3.228 14.478 1.00 51.31 H new ATOM 0 HA LEU A 127 15.366 4.032 12.237 1.00 34.41 H new ATOM 0 HB2 LEU A 127 15.402 4.128 15.160 1.00 11.12 H new ATOM 0 HB3 LEU A 127 16.966 3.665 14.518 1.00 11.12 H new ATOM 0 HG LEU A 127 16.696 6.108 14.931 1.00 10.45 H new ATOM 0 HD11 LEU A 127 17.695 6.822 12.796 1.00 51.11 H new ATOM 0 HD12 LEU A 127 18.373 5.276 13.358 1.00 51.11 H new ATOM 0 HD13 LEU A 127 17.172 5.295 12.046 1.00 51.11 H new ATOM 0 HD21 LEU A 127 15.366 7.433 13.334 1.00 3.33 H new ATOM 0 HD22 LEU A 127 14.752 5.930 12.606 1.00 3.33 H new ATOM 0 HD23 LEU A 127 14.345 6.334 14.290 1.00 3.33 H new