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= -1.28 X(o=-0.4,f=-0.8) USER MOD Set 1.2: A 111 GLN : amide:sc= 0 X(o=-0.4,f=-0.4) USER MOD Set 1.3: A 115 GLN :FLIP amide:sc= 0.88 X(o=-0.8,f=-0.4) USER MOD Set 2.1: A 45 THR OG1 : rot 0:sc= 1.19 USER MOD Set 2.2: A 103 SER OG : rot 133:sc= 0.103 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.11) USER MOD Single : A 19 THR OG1 : rot 55:sc= 0.418 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -58:sc= 0.68 USER MOD Single : A 30 CYS SG : rot -22:sc= 0.562 USER MOD Single : A 31 ASN : amide:sc= 0.706 K(o=0.71,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.405 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.885 K(o=-0.88,f=-2.5) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 0.00587 (180deg=0.00545) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : A 43 THR OG1 : rot -55:sc= 1.25 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.86 K(o=-0.86,f=-1.9) USER MOD Single : A 51 SER OG : rot -90:sc= -0.373 USER MOD Single : A 56 MET CE :methyl 140:sc= -2.42! (180deg=-5.52!) 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+ 159:sc= -1.04 (180deg=-2.16!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 CYS SG : rot 180:sc= -0.186 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 102 CYS SG : rot 130:sc= -1.62! USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -78:sc= 0.877 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.13 K(o=-0.13,f=-1.2) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 10.563 13.297 4.462 1.00 31.24 N ATOM 136 CA ALA A 10 10.399 13.683 5.858 1.00 72.14 C ATOM 137 C ALA A 10 9.875 12.517 6.690 1.00 71.41 C ATOM 138 O ALA A 10 9.051 12.703 7.587 1.00 11.33 O ATOM 139 CB ALA A 10 9.465 14.877 5.970 1.00 35.45 C ATOM 0 HA ALA A 10 11.376 13.965 6.249 1.00 72.14 H new ATOM 0 HB1 ALA A 10 9.352 15.154 7.018 1.00 35.45 H new ATOM 0 HB2 ALA A 10 9.881 15.718 5.415 1.00 35.45 H new ATOM 0 HB3 ALA A 10 8.491 14.617 5.557 1.00 35.45 H new ATOM 145 N TYR A 11 10.356 11.316 6.389 1.00 65.21 N ATOM 146 CA TYR A 11 9.933 10.121 7.108 1.00 72.11 C ATOM 147 C TYR A 11 11.091 9.523 7.901 1.00 5.24 C ATOM 148 O TYR A 11 12.263 9.785 7.630 1.00 2.33 O ATOM 149 CB TYR A 11 9.380 9.082 6.131 1.00 35.41 C ATOM 150 CG TYR A 11 7.872 8.971 6.155 1.00 13.04 C ATOM 151 CD1 TYR A 11 7.070 10.086 5.941 1.00 30.34 C ATOM 152 CD2 TYR A 11 7.249 7.753 6.393 1.00 54.33 C ATOM 153 CE1 TYR A 11 5.693 9.990 5.963 1.00 34.35 C ATOM 154 CE2 TYR A 11 5.871 7.647 6.415 1.00 10.32 C ATOM 155 CZ TYR A 11 5.098 8.768 6.200 1.00 1.44 C ATOM 156 OH TYR A 11 3.725 8.667 6.222 1.00 22.01 O ATOM 0 H TYR A 11 11.039 11.145 5.652 1.00 65.21 H new ATOM 0 HA TYR A 11 9.148 10.408 7.807 1.00 72.11 H new ATOM 0 HB2 TYR A 11 9.701 9.338 5.121 1.00 35.41 H new ATOM 0 HB3 TYR A 11 9.811 8.109 6.366 1.00 35.41 H new ATOM 0 HD1 TYR A 11 7.532 11.044 5.754 1.00 30.34 H new ATOM 0 HD2 TYR A 11 7.852 6.873 6.564 1.00 54.33 H new ATOM 0 HE1 TYR A 11 5.085 10.867 5.796 1.00 34.35 H new ATOM 0 HE2 TYR A 11 5.403 6.692 6.600 1.00 10.32 H new ATOM 0 HH TYR A 11 3.468 7.738 6.401 1.00 22.01 H new ATOM 166 N PRO A 12 10.757 8.699 8.905 1.00 15.31 N ATOM 167 CA PRO A 12 9.365 8.380 9.237 1.00 31.31 C ATOM 168 C PRO A 12 8.624 9.571 9.837 1.00 44.22 C ATOM 169 O PRO A 12 9.236 10.458 10.434 1.00 60.15 O ATOM 170 CB PRO A 12 9.495 7.256 10.269 1.00 4.34 C ATOM 171 CG PRO A 12 10.837 7.459 10.883 1.00 31.45 C ATOM 172 CD PRO A 12 11.711 8.016 9.793 1.00 61.15 C ATOM 0 HA PRO A 12 8.789 8.103 8.354 1.00 31.31 H new ATOM 0 HB2 PRO A 12 8.705 7.312 11.017 1.00 4.34 H new ATOM 0 HB3 PRO A 12 9.419 6.276 9.798 1.00 4.34 H new ATOM 0 HG2 PRO A 12 10.780 8.146 11.727 1.00 31.45 H new ATOM 0 HG3 PRO A 12 11.238 6.520 11.263 1.00 31.45 H new ATOM 0 HD2 PRO A 12 12.456 8.706 10.189 1.00 61.15 H new ATOM 0 HD3 PRO A 12 12.253 7.228 9.270 1.00 61.15 H new ATOM 180 N LEU A 13 7.307 9.584 9.675 1.00 32.42 N ATOM 181 CA LEU A 13 6.482 10.667 10.203 1.00 52.33 C ATOM 182 C LEU A 13 5.619 10.179 11.361 1.00 35.23 C ATOM 183 O LEU A 13 5.100 9.062 11.335 1.00 3.02 O ATOM 184 CB LEU A 13 5.595 11.243 9.097 1.00 25.23 C ATOM 185 CG LEU A 13 4.785 12.486 9.467 1.00 11.22 C ATOM 186 CD1 LEU A 13 5.675 13.719 9.480 1.00 31.54 C ATOM 187 CD2 LEU A 13 3.625 12.674 8.499 1.00 40.25 C ATOM 0 H LEU A 13 6.786 8.858 9.183 1.00 32.42 H new ATOM 0 HA LEU A 13 7.145 11.449 10.574 1.00 52.33 H new ATOM 0 HB2 LEU A 13 6.226 11.486 8.242 1.00 25.23 H new ATOM 0 HB3 LEU A 13 4.903 10.466 8.772 1.00 25.23 H new ATOM 0 HG LEU A 13 4.378 12.346 10.469 1.00 11.22 H new ATOM 0 HD11 LEU A 13 5.081 14.594 9.745 1.00 31.54 H new ATOM 0 HD12 LEU A 13 6.471 13.585 10.212 1.00 31.54 H new ATOM 0 HD13 LEU A 13 6.112 13.863 8.492 1.00 31.54 H new ATOM 0 HD21 LEU A 13 3.059 13.563 8.777 1.00 40.25 H new ATOM 0 HD22 LEU A 13 4.011 12.792 7.487 1.00 40.25 H new ATOM 0 HD23 LEU A 13 2.973 11.802 8.539 1.00 40.25 H new ATOM 199 N ALA A 14 5.465 11.024 12.375 1.00 44.31 N ATOM 200 CA ALA A 14 4.660 10.681 13.541 1.00 73.23 C ATOM 201 C ALA A 14 3.201 11.069 13.334 1.00 12.23 C ATOM 202 O ALA A 14 2.888 12.231 13.073 1.00 11.54 O ATOM 203 CB ALA A 14 5.217 11.357 14.785 1.00 13.11 C ATOM 0 H ALA A 14 5.887 11.952 12.413 1.00 44.31 H new ATOM 0 HA ALA A 14 4.705 9.601 13.677 1.00 73.23 H new ATOM 0 HB1 ALA A 14 4.606 11.092 15.648 1.00 13.11 H new ATOM 0 HB2 ALA A 14 6.242 11.026 14.951 1.00 13.11 H new ATOM 0 HB3 ALA A 14 5.203 12.438 14.649 1.00 13.11 H new ATOM 209 N ASP A 15 2.310 10.089 13.450 1.00 23.10 N ATOM 210 CA ASP A 15 0.882 10.329 13.276 1.00 3.22 C ATOM 211 C ASP A 15 0.384 11.383 14.260 1.00 3.53 C ATOM 212 O ASP A 15 1.098 11.770 15.184 1.00 71.31 O ATOM 213 CB ASP A 15 0.099 9.028 13.463 1.00 24.43 C ATOM 214 CG ASP A 15 0.580 8.228 14.657 1.00 25.33 C ATOM 215 OD1 ASP A 15 1.611 7.535 14.530 1.00 73.35 O ATOM 216 OD2 ASP A 15 -0.072 8.298 15.719 1.00 14.23 O ATOM 0 H ASP A 15 2.552 9.121 13.664 1.00 23.10 H new ATOM 0 HA ASP A 15 0.721 10.699 12.263 1.00 3.22 H new ATOM 0 HB2 ASP A 15 -0.959 9.259 13.587 1.00 24.43 H new ATOM 0 HB3 ASP A 15 0.189 8.421 12.562 1.00 24.43 H new ATOM 221 N ALA A 16 -0.845 11.845 14.053 1.00 41.31 N ATOM 222 CA ALA A 16 -1.438 12.854 14.921 1.00 13.23 C ATOM 223 C ALA A 16 -1.663 12.306 16.326 1.00 55.44 C ATOM 224 O ALA A 16 -1.693 13.057 17.301 1.00 1.50 O ATOM 225 CB ALA A 16 -2.749 13.353 14.331 1.00 11.01 C ATOM 0 H ALA A 16 -1.449 11.536 13.291 1.00 41.31 H new ATOM 0 HA ALA A 16 -0.743 13.690 14.993 1.00 13.23 H new ATOM 0 HB1 ALA A 16 -3.181 14.106 14.990 1.00 11.01 H new ATOM 0 HB2 ALA A 16 -2.563 13.792 13.351 1.00 11.01 H new ATOM 0 HB3 ALA A 16 -3.443 12.519 14.229 1.00 11.01 H new ATOM 231 N HIS A 17 -1.823 10.989 16.424 1.00 0.35 N ATOM 232 CA HIS A 17 -2.047 10.339 17.710 1.00 62.15 C ATOM 233 C HIS A 17 -0.739 10.213 18.488 1.00 35.54 C ATOM 234 O HIS A 17 -0.740 10.186 19.720 1.00 24.24 O ATOM 235 CB HIS A 17 -2.667 8.956 17.507 1.00 5.53 C ATOM 236 CG HIS A 17 -4.163 8.957 17.568 1.00 21.05 C ATOM 237 ND1 HIS A 17 -4.934 10.025 17.158 1.00 43.14 N ATOM 238 CD2 HIS A 17 -5.033 8.011 17.995 1.00 42.13 C ATOM 239 CE1 HIS A 17 -6.211 9.736 17.330 1.00 23.41 C ATOM 240 NE2 HIS A 17 -6.298 8.519 17.837 1.00 34.23 N ATOM 0 H HIS A 17 -1.802 10.352 15.628 1.00 0.35 H new ATOM 0 HA HIS A 17 -2.737 10.956 18.286 1.00 62.15 H new ATOM 0 HB2 HIS A 17 -2.351 8.563 16.541 1.00 5.53 H new ATOM 0 HB3 HIS A 17 -2.281 8.278 18.268 1.00 5.53 H new ATOM 0 HD2 HIS A 17 -4.778 7.037 18.387 1.00 42.13 H new ATOM 0 HE1 HIS A 17 -7.043 10.384 17.096 1.00 23.41 H new ATOM 0 HE2 HIS A 17 -7.165 8.036 18.073 1.00 34.23 H new ATOM 248 N LEU A 18 0.370 10.135 17.764 1.00 3.54 N ATOM 249 CA LEU A 18 1.683 10.011 18.386 1.00 24.11 C ATOM 250 C LEU A 18 2.153 11.354 18.937 1.00 44.14 C ATOM 251 O LEU A 18 2.737 11.423 20.020 1.00 20.10 O ATOM 252 CB LEU A 18 2.700 9.478 17.376 1.00 40.30 C ATOM 253 CG LEU A 18 3.770 8.538 17.932 1.00 71.11 C ATOM 254 CD1 LEU A 18 4.116 7.461 16.916 1.00 73.12 C ATOM 255 CD2 LEU A 18 5.014 9.320 18.327 1.00 20.30 C ATOM 0 H LEU A 18 0.387 10.155 16.744 1.00 3.54 H new ATOM 0 HA LEU A 18 1.600 9.307 19.214 1.00 24.11 H new ATOM 0 HB2 LEU A 18 2.159 8.954 16.588 1.00 40.30 H new ATOM 0 HB3 LEU A 18 3.198 10.328 16.910 1.00 40.30 H new ATOM 0 HG LEU A 18 3.372 8.053 18.823 1.00 71.11 H new ATOM 0 HD11 LEU A 18 4.879 6.802 17.330 1.00 73.12 H new ATOM 0 HD12 LEU A 18 3.223 6.881 16.682 1.00 73.12 H new ATOM 0 HD13 LEU A 18 4.494 7.927 16.006 1.00 73.12 H new ATOM 0 HD21 LEU A 18 5.765 8.635 18.721 1.00 20.30 H new ATOM 0 HD22 LEU A 18 5.414 9.833 17.453 1.00 20.30 H new ATOM 0 HD23 LEU A 18 4.756 10.053 19.091 1.00 20.30 H new ATOM 267 N THR A 19 1.894 12.420 18.186 1.00 70.24 N ATOM 268 CA THR A 19 2.289 13.760 18.600 1.00 63.31 C ATOM 269 C THR A 19 1.685 14.119 19.953 1.00 42.24 C ATOM 270 O THR A 19 2.317 14.791 20.768 1.00 21.41 O ATOM 271 CB THR A 19 1.861 14.816 17.563 1.00 25.44 C ATOM 272 OG1 THR A 19 0.830 14.288 16.722 1.00 50.32 O ATOM 273 CG2 THR A 19 3.046 15.250 16.712 1.00 74.20 C ATOM 0 H THR A 19 1.412 12.381 17.288 1.00 70.24 H new ATOM 0 HA THR A 19 3.376 13.759 18.680 1.00 63.31 H new ATOM 0 HB THR A 19 1.481 15.686 18.099 1.00 25.44 H new ATOM 0 HG1 THR A 19 0.087 13.969 17.276 1.00 50.32 H new ATOM 0 HG21 THR A 19 2.720 15.996 15.987 1.00 74.20 H new ATOM 0 HG22 THR A 19 3.816 15.679 17.353 1.00 74.20 H new ATOM 0 HG23 THR A 19 3.452 14.386 16.186 1.00 74.20 H new ATOM 281 N LYS A 20 0.459 13.666 20.187 1.00 53.34 N ATOM 282 CA LYS A 20 -0.231 13.936 21.442 1.00 71.41 C ATOM 283 C LYS A 20 0.639 13.552 22.636 1.00 12.34 C ATOM 284 O LYS A 20 0.697 14.273 23.632 1.00 51.34 O ATOM 285 CB LYS A 20 -1.555 13.170 21.497 1.00 4.00 C ATOM 286 CG LYS A 20 -2.626 13.743 20.585 1.00 31.00 C ATOM 287 CD LYS A 20 -3.895 14.074 21.354 1.00 4.03 C ATOM 288 CE LYS A 20 -5.128 13.957 20.472 1.00 2.54 C ATOM 289 NZ LYS A 20 -6.325 13.527 21.246 1.00 71.11 N ATOM 0 H LYS A 20 -0.078 13.109 19.523 1.00 53.34 H new ATOM 0 HA LYS A 20 -0.435 15.006 21.491 1.00 71.41 H new ATOM 0 HB2 LYS A 20 -1.375 12.130 21.224 1.00 4.00 H new ATOM 0 HB3 LYS A 20 -1.924 13.171 22.523 1.00 4.00 H new ATOM 0 HG2 LYS A 20 -2.248 14.643 20.100 1.00 31.00 H new ATOM 0 HG3 LYS A 20 -2.854 13.027 19.796 1.00 31.00 H new ATOM 0 HD2 LYS A 20 -3.991 13.401 22.206 1.00 4.03 H new ATOM 0 HD3 LYS A 20 -3.826 15.086 21.753 1.00 4.03 H new ATOM 0 HE2 LYS A 20 -5.328 14.918 19.998 1.00 2.54 H new ATOM 0 HE3 LYS A 20 -4.936 13.241 19.673 1.00 2.54 H new ATOM 0 HZ1 LYS A 20 -7.144 13.459 20.609 1.00 71.11 H new ATOM 0 HZ2 LYS A 20 -6.144 12.598 21.678 1.00 71.11 H new ATOM 0 HZ3 LYS A 20 -6.524 14.223 21.993 1.00 71.11 H new ATOM 303 N LYS A 21 1.316 12.415 22.526 1.00 53.23 N ATOM 304 CA LYS A 21 2.186 11.935 23.593 1.00 63.43 C ATOM 305 C LYS A 21 3.470 12.757 23.659 1.00 11.34 C ATOM 306 O LYS A 21 4.036 12.958 24.734 1.00 61.14 O ATOM 307 CB LYS A 21 2.524 10.458 23.380 1.00 34.22 C ATOM 308 CG LYS A 21 1.394 9.516 23.756 1.00 74.41 C ATOM 309 CD LYS A 21 0.809 8.829 22.533 1.00 62.24 C ATOM 310 CE LYS A 21 1.339 7.411 22.383 1.00 1.02 C ATOM 311 NZ LYS A 21 0.636 6.458 23.286 1.00 72.04 N ATOM 0 H LYS A 21 1.279 11.808 21.707 1.00 53.23 H new ATOM 0 HA LYS A 21 1.654 12.046 24.538 1.00 63.43 H new ATOM 0 HB2 LYS A 21 2.784 10.301 22.333 1.00 34.22 H new ATOM 0 HB3 LYS A 21 3.406 10.207 23.969 1.00 34.22 H new ATOM 0 HG2 LYS A 21 1.763 8.765 24.455 1.00 74.41 H new ATOM 0 HG3 LYS A 21 0.611 10.073 24.271 1.00 74.41 H new ATOM 0 HD2 LYS A 21 -0.278 8.806 22.613 1.00 62.24 H new ATOM 0 HD3 LYS A 21 1.051 9.405 21.640 1.00 62.24 H new ATOM 0 HE2 LYS A 21 1.221 7.086 21.349 1.00 1.02 H new ATOM 0 HE3 LYS A 21 2.407 7.397 22.601 1.00 1.02 H new ATOM 0 HZ1 LYS A 21 1.026 5.503 23.154 1.00 72.04 H new ATOM 0 HZ2 LYS A 21 0.770 6.753 24.274 1.00 72.04 H new ATOM 0 HZ3 LYS A 21 -0.379 6.452 23.061 1.00 72.04 H new ATOM 325 N LEU A 22 3.923 13.231 22.504 1.00 54.30 N ATOM 326 CA LEU A 22 5.140 14.033 22.430 1.00 33.43 C ATOM 327 C LEU A 22 5.061 15.229 23.373 1.00 51.43 C ATOM 328 O LEU A 22 6.047 15.591 24.017 1.00 52.31 O ATOM 329 CB LEU A 22 5.371 14.514 20.996 1.00 54.13 C ATOM 330 CG LEU A 22 6.814 14.858 20.629 1.00 44.41 C ATOM 331 CD1 LEU A 22 7.713 13.643 20.800 1.00 31.32 C ATOM 332 CD2 LEU A 22 6.891 15.383 19.202 1.00 72.33 C ATOM 0 H LEU A 22 3.466 13.074 21.606 1.00 54.30 H new ATOM 0 HA LEU A 22 5.978 13.407 22.736 1.00 33.43 H new ATOM 0 HB2 LEU A 22 5.018 13.741 20.313 1.00 54.13 H new ATOM 0 HB3 LEU A 22 4.754 15.396 20.826 1.00 54.13 H new ATOM 0 HG LEU A 22 7.163 15.641 21.303 1.00 44.41 H new ATOM 0 HD11 LEU A 22 8.736 13.907 20.534 1.00 31.32 H new ATOM 0 HD12 LEU A 22 7.682 13.311 21.838 1.00 31.32 H new ATOM 0 HD13 LEU A 22 7.366 12.839 20.151 1.00 31.32 H new ATOM 0 HD21 LEU A 22 7.926 15.623 18.958 1.00 72.33 H new ATOM 0 HD22 LEU A 22 6.523 14.622 18.514 1.00 72.33 H new ATOM 0 HD23 LEU A 22 6.279 16.281 19.111 1.00 72.33 H new ATOM 344 N LEU A 23 3.883 15.837 23.452 1.00 31.33 N ATOM 345 CA LEU A 23 3.674 16.992 24.319 1.00 43.33 C ATOM 346 C LEU A 23 4.079 16.675 25.755 1.00 40.11 C ATOM 347 O LEU A 23 4.689 17.500 26.436 1.00 43.32 O ATOM 348 CB LEU A 23 2.210 17.430 24.275 1.00 53.13 C ATOM 349 CG LEU A 23 1.731 18.040 22.957 1.00 40.23 C ATOM 350 CD1 LEU A 23 0.279 18.478 23.068 1.00 32.02 C ATOM 351 CD2 LEU A 23 2.615 19.214 22.560 1.00 54.34 C ATOM 0 H LEU A 23 3.057 15.550 22.926 1.00 31.33 H new ATOM 0 HA LEU A 23 4.301 17.806 23.955 1.00 43.33 H new ATOM 0 HB2 LEU A 23 1.586 16.565 24.500 1.00 53.13 H new ATOM 0 HB3 LEU A 23 2.045 18.157 25.070 1.00 53.13 H new ATOM 0 HG LEU A 23 1.801 17.279 22.180 1.00 40.23 H new ATOM 0 HD11 LEU A 23 -0.044 18.910 22.121 1.00 32.02 H new ATOM 0 HD12 LEU A 23 -0.344 17.616 23.305 1.00 32.02 H new ATOM 0 HD13 LEU A 23 0.183 19.223 23.858 1.00 32.02 H new ATOM 0 HD21 LEU A 23 2.259 19.636 21.620 1.00 54.34 H new ATOM 0 HD22 LEU A 23 2.577 19.977 23.337 1.00 54.34 H new ATOM 0 HD23 LEU A 23 3.642 18.871 22.438 1.00 54.34 H new ATOM 363 N ASP A 24 3.738 15.474 26.208 1.00 54.14 N ATOM 364 CA ASP A 24 4.069 15.045 27.563 1.00 31.03 C ATOM 365 C ASP A 24 5.580 14.965 27.753 1.00 63.13 C ATOM 366 O ASP A 24 6.085 15.117 28.866 1.00 24.42 O ATOM 367 CB ASP A 24 3.431 13.688 27.861 1.00 44.24 C ATOM 368 CG ASP A 24 3.085 13.520 29.328 1.00 71.11 C ATOM 369 OD1 ASP A 24 2.644 14.509 29.950 1.00 42.03 O ATOM 370 OD2 ASP A 24 3.255 12.400 29.852 1.00 33.42 O ATOM 0 H ASP A 24 3.233 14.780 25.658 1.00 54.14 H new ATOM 0 HA ASP A 24 3.673 15.784 28.259 1.00 31.03 H new ATOM 0 HB2 ASP A 24 2.527 13.576 27.262 1.00 44.24 H new ATOM 0 HB3 ASP A 24 4.114 12.894 27.559 1.00 44.24 H new ATOM 375 N LEU A 25 6.296 14.722 26.661 1.00 52.15 N ATOM 376 CA LEU A 25 7.751 14.619 26.708 1.00 11.14 C ATOM 377 C LEU A 25 8.388 15.993 26.891 1.00 3.04 C ATOM 378 O LEU A 25 9.130 16.223 27.846 1.00 30.43 O ATOM 379 CB LEU A 25 8.277 13.967 25.429 1.00 42.33 C ATOM 380 CG LEU A 25 9.192 12.757 25.620 1.00 65.11 C ATOM 381 CD1 LEU A 25 10.425 13.141 26.425 1.00 35.25 C ATOM 382 CD2 LEU A 25 8.442 11.622 26.300 1.00 35.24 C ATOM 0 H LEU A 25 5.894 14.593 25.733 1.00 52.15 H new ATOM 0 HA LEU A 25 8.020 13.997 27.562 1.00 11.14 H new ATOM 0 HB2 LEU A 25 7.424 13.660 24.824 1.00 42.33 H new ATOM 0 HB3 LEU A 25 8.819 14.720 24.857 1.00 42.33 H new ATOM 0 HG LEU A 25 9.517 12.414 24.638 1.00 65.11 H new ATOM 0 HD11 LEU A 25 11.064 12.267 26.551 1.00 35.25 H new ATOM 0 HD12 LEU A 25 10.975 13.920 25.898 1.00 35.25 H new ATOM 0 HD13 LEU A 25 10.120 13.511 27.404 1.00 35.25 H new ATOM 0 HD21 LEU A 25 9.109 10.770 26.427 1.00 35.24 H new ATOM 0 HD22 LEU A 25 8.087 11.954 27.276 1.00 35.24 H new ATOM 0 HD23 LEU A 25 7.591 11.328 25.685 1.00 35.24 H new ATOM 394 N VAL A 26 8.092 16.904 25.970 1.00 23.13 N ATOM 395 CA VAL A 26 8.633 18.257 26.030 1.00 73.02 C ATOM 396 C VAL A 26 8.209 18.961 27.314 1.00 21.11 C ATOM 397 O VAL A 26 8.955 19.769 27.867 1.00 41.51 O ATOM 398 CB VAL A 26 8.180 19.097 24.823 1.00 4.25 C ATOM 399 CG1 VAL A 26 6.683 19.359 24.885 1.00 75.01 C ATOM 400 CG2 VAL A 26 8.954 20.405 24.763 1.00 65.24 C ATOM 0 H VAL A 26 7.480 16.730 25.173 1.00 23.13 H new ATOM 0 HA VAL A 26 9.719 18.165 26.011 1.00 73.02 H new ATOM 0 HB VAL A 26 8.389 18.534 23.913 1.00 4.25 H new ATOM 0 HG11 VAL A 26 6.382 19.954 24.023 1.00 75.01 H new ATOM 0 HG12 VAL A 26 6.147 18.410 24.876 1.00 75.01 H new ATOM 0 HG13 VAL A 26 6.446 19.901 25.801 1.00 75.01 H new ATOM 0 HG21 VAL A 26 8.620 20.986 23.903 1.00 65.24 H new ATOM 0 HG22 VAL A 26 8.778 20.974 25.676 1.00 65.24 H new ATOM 0 HG23 VAL A 26 10.019 20.194 24.667 1.00 65.24 H new ATOM 410 N GLN A 27 7.005 18.650 27.783 1.00 75.43 N ATOM 411 CA GLN A 27 6.481 19.253 29.003 1.00 62.24 C ATOM 412 C GLN A 27 7.152 18.658 30.236 1.00 23.42 C ATOM 413 O GLN A 27 7.356 19.348 31.236 1.00 44.03 O ATOM 414 CB GLN A 27 4.967 19.055 29.085 1.00 74.34 C ATOM 415 CG GLN A 27 4.370 19.476 30.418 1.00 74.41 C ATOM 416 CD GLN A 27 2.872 19.699 30.343 1.00 64.13 C ATOM 417 OE1 GLN A 27 2.106 18.768 30.092 1.00 71.14 O ATOM 418 NE2 GLN A 27 2.446 20.938 30.561 1.00 53.35 N ATOM 0 H GLN A 27 6.374 17.984 27.337 1.00 75.43 H new ATOM 0 HA GLN A 27 6.699 20.321 28.974 1.00 62.24 H new ATOM 0 HB2 GLN A 27 4.491 19.624 28.287 1.00 74.34 H new ATOM 0 HB3 GLN A 27 4.736 18.004 28.908 1.00 74.34 H new ATOM 0 HG2 GLN A 27 4.583 18.711 31.165 1.00 74.41 H new ATOM 0 HG3 GLN A 27 4.853 20.393 30.755 1.00 74.41 H new ATOM 0 HE21 GLN A 27 3.116 21.679 30.766 1.00 53.35 H new ATOM 0 HE22 GLN A 27 1.449 21.148 30.524 1.00 53.35 H new ATOM 427 N GLN A 28 7.492 17.376 30.159 1.00 14.11 N ATOM 428 CA GLN A 28 8.138 16.689 31.271 1.00 1.11 C ATOM 429 C GLN A 28 9.602 17.102 31.389 1.00 35.10 C ATOM 430 O GLN A 28 10.161 17.138 32.485 1.00 35.45 O ATOM 431 CB GLN A 28 8.037 15.173 31.090 1.00 61.32 C ATOM 432 CG GLN A 28 6.761 14.576 31.661 1.00 45.25 C ATOM 433 CD GLN A 28 6.932 14.089 33.087 1.00 2.54 C ATOM 434 OE1 GLN A 28 6.953 12.885 33.345 1.00 11.32 O ATOM 435 NE2 GLN A 28 7.057 15.025 34.021 1.00 55.43 N ATOM 0 H GLN A 28 7.331 16.792 29.338 1.00 14.11 H new ATOM 0 HA GLN A 28 7.623 16.973 32.189 1.00 1.11 H new ATOM 0 HB2 GLN A 28 8.095 14.938 30.027 1.00 61.32 H new ATOM 0 HB3 GLN A 28 8.895 14.700 31.568 1.00 61.32 H new ATOM 0 HG2 GLN A 28 5.968 15.324 31.629 1.00 45.25 H new ATOM 0 HG3 GLN A 28 6.441 13.745 31.033 1.00 45.25 H new ATOM 0 HE21 GLN A 28 7.034 16.011 33.761 1.00 55.43 H new ATOM 0 HE22 GLN A 28 7.176 14.758 34.998 1.00 55.43 H new ATOM 444 N SER A 29 10.217 17.414 30.253 1.00 43.52 N ATOM 445 CA SER A 29 11.618 17.820 30.228 1.00 12.25 C ATOM 446 C SER A 29 11.793 19.202 30.849 1.00 32.45 C ATOM 447 O SER A 29 12.619 19.394 31.741 1.00 64.14 O ATOM 448 CB SER A 29 12.143 17.824 28.791 1.00 43.01 C ATOM 449 OG SER A 29 13.484 18.282 28.741 1.00 1.32 O ATOM 0 H SER A 29 9.768 17.394 29.338 1.00 43.52 H new ATOM 0 HA SER A 29 12.191 17.102 30.815 1.00 12.25 H new ATOM 0 HB2 SER A 29 12.083 16.818 28.375 1.00 43.01 H new ATOM 0 HB3 SER A 29 11.513 18.463 28.172 1.00 43.01 H new ATOM 0 HG SER A 29 13.537 19.183 29.124 1.00 1.32 H new ATOM 455 N CYS A 30 11.007 20.163 30.373 1.00 50.03 N ATOM 456 CA CYS A 30 11.076 21.528 30.880 1.00 35.41 C ATOM 457 C CYS A 30 10.687 21.580 32.354 1.00 23.41 C ATOM 458 O CYS A 30 11.124 22.464 33.091 1.00 13.33 O ATOM 459 CB CYS A 30 10.160 22.443 30.066 1.00 74.41 C ATOM 460 SG CYS A 30 8.396 22.105 30.284 1.00 2.15 S ATOM 0 H CYS A 30 10.315 20.021 29.637 1.00 50.03 H new ATOM 0 HA CYS A 30 12.105 21.875 30.782 1.00 35.41 H new ATOM 0 HB2 CYS A 30 10.358 23.478 30.344 1.00 74.41 H new ATOM 0 HB3 CYS A 30 10.410 22.344 29.010 1.00 74.41 H new ATOM 0 HG CYS A 30 8.237 20.886 30.707 1.00 2.15 H new ATOM 466 N ASN A 31 9.861 20.628 32.777 1.00 41.21 N ATOM 467 CA ASN A 31 9.412 20.567 34.163 1.00 73.43 C ATOM 468 C ASN A 31 10.561 20.189 35.092 1.00 61.12 C ATOM 469 O ASN A 31 10.539 20.500 36.283 1.00 71.03 O ATOM 470 CB ASN A 31 8.271 19.557 34.307 1.00 22.22 C ATOM 471 CG ASN A 31 6.931 20.227 34.537 1.00 24.33 C ATOM 472 OD1 ASN A 31 6.447 20.301 35.667 1.00 44.21 O ATOM 473 ND2 ASN A 31 6.323 20.720 33.464 1.00 52.13 N ATOM 0 H ASN A 31 9.489 19.889 32.180 1.00 41.21 H new ATOM 0 HA ASN A 31 9.051 21.556 34.445 1.00 73.43 H new ATOM 0 HB2 ASN A 31 8.217 18.943 33.408 1.00 22.22 H new ATOM 0 HB3 ASN A 31 8.486 18.886 35.139 1.00 22.22 H new ATOM 0 HD21 ASN A 31 5.419 21.182 33.558 1.00 52.13 H new ATOM 0 HD22 ASN A 31 6.761 20.636 32.546 1.00 52.13 H new ATOM 480 N TYR A 32 11.564 19.516 34.539 1.00 62.22 N ATOM 481 CA TYR A 32 12.722 19.093 35.318 1.00 40.40 C ATOM 482 C TYR A 32 13.860 20.103 35.194 1.00 33.22 C ATOM 483 O TYR A 32 15.027 19.769 35.397 1.00 74.24 O ATOM 484 CB TYR A 32 13.198 17.715 34.856 1.00 75.30 C ATOM 485 CG TYR A 32 13.074 16.645 35.918 1.00 14.31 C ATOM 486 CD1 TYR A 32 14.036 16.510 36.911 1.00 24.31 C ATOM 487 CD2 TYR A 32 11.995 15.769 35.928 1.00 44.02 C ATOM 488 CE1 TYR A 32 13.928 15.534 37.883 1.00 33.34 C ATOM 489 CE2 TYR A 32 11.878 14.792 36.897 1.00 10.52 C ATOM 490 CZ TYR A 32 12.847 14.678 37.872 1.00 33.35 C ATOM 491 OH TYR A 32 12.734 13.705 38.838 1.00 52.02 O ATOM 0 H TYR A 32 11.599 19.252 33.554 1.00 62.22 H new ATOM 0 HA TYR A 32 12.422 19.035 36.364 1.00 40.40 H new ATOM 0 HB2 TYR A 32 12.622 17.415 33.981 1.00 75.30 H new ATOM 0 HB3 TYR A 32 14.240 17.786 34.543 1.00 75.30 H new ATOM 0 HD1 TYR A 32 14.883 17.180 36.923 1.00 24.31 H new ATOM 0 HD2 TYR A 32 11.235 15.854 35.165 1.00 44.02 H new ATOM 0 HE1 TYR A 32 14.686 15.442 38.647 1.00 33.34 H new ATOM 0 HE2 TYR A 32 11.032 14.121 36.891 1.00 10.52 H new ATOM 0 HH TYR A 32 11.915 13.188 38.687 1.00 52.02 H new ATOM 501 N LYS A 33 13.510 21.340 34.859 1.00 71.42 N ATOM 502 CA LYS A 33 14.498 22.401 34.710 1.00 44.41 C ATOM 503 C LYS A 33 15.541 22.030 33.660 1.00 11.44 C ATOM 504 O LYS A 33 16.710 22.393 33.778 1.00 63.11 O ATOM 505 CB LYS A 33 15.185 22.678 36.050 1.00 4.53 C ATOM 506 CG LYS A 33 15.274 24.155 36.393 1.00 30.15 C ATOM 507 CD LYS A 33 15.540 24.368 37.874 1.00 13.32 C ATOM 508 CE LYS A 33 16.051 25.774 38.152 1.00 44.14 C ATOM 509 NZ LYS A 33 15.622 26.266 39.490 1.00 13.54 N ATOM 0 H LYS A 33 12.548 21.632 34.685 1.00 71.42 H new ATOM 0 HA LYS A 33 13.980 23.302 34.380 1.00 44.41 H new ATOM 0 HB2 LYS A 33 14.641 22.162 36.841 1.00 4.53 H new ATOM 0 HB3 LYS A 33 16.190 22.257 36.027 1.00 4.53 H new ATOM 0 HG2 LYS A 33 16.070 24.618 35.809 1.00 30.15 H new ATOM 0 HG3 LYS A 33 14.344 24.651 36.114 1.00 30.15 H new ATOM 0 HD2 LYS A 33 14.623 24.195 38.438 1.00 13.32 H new ATOM 0 HD3 LYS A 33 16.271 23.638 38.222 1.00 13.32 H new ATOM 0 HE2 LYS A 33 17.139 25.783 38.094 1.00 44.14 H new ATOM 0 HE3 LYS A 33 15.685 26.452 37.381 1.00 44.14 H new ATOM 0 HZ1 LYS A 33 15.990 27.227 39.641 1.00 13.54 H new ATOM 0 HZ2 LYS A 33 14.583 26.282 39.537 1.00 13.54 H new ATOM 0 HZ3 LYS A 33 15.992 25.633 40.228 1.00 13.54 H new ATOM 523 N GLN A 34 15.107 21.307 32.632 1.00 1.13 N ATOM 524 CA GLN A 34 16.003 20.888 31.560 1.00 71.33 C ATOM 525 C GLN A 34 15.320 21.005 30.202 1.00 75.33 C ATOM 526 O GLN A 34 14.170 20.593 30.036 1.00 24.30 O ATOM 527 CB GLN A 34 16.468 19.448 31.789 1.00 24.41 C ATOM 528 CG GLN A 34 15.343 18.500 32.171 1.00 41.50 C ATOM 529 CD GLN A 34 15.845 17.115 32.528 1.00 54.44 C ATOM 530 OE1 GLN A 34 16.934 16.960 33.083 1.00 34.23 O ATOM 531 NE2 GLN A 34 15.052 16.097 32.212 1.00 32.24 N ATOM 0 H GLN A 34 14.141 20.999 32.519 1.00 1.13 H new ATOM 0 HA GLN A 34 16.871 21.548 31.567 1.00 71.33 H new ATOM 0 HB2 GLN A 34 16.949 19.081 30.882 1.00 24.41 H new ATOM 0 HB3 GLN A 34 17.222 19.439 32.576 1.00 24.41 H new ATOM 0 HG2 GLN A 34 14.796 18.914 33.018 1.00 41.50 H new ATOM 0 HG3 GLN A 34 14.639 18.425 31.342 1.00 41.50 H new ATOM 0 HE21 GLN A 34 14.158 16.270 31.753 1.00 32.24 H new ATOM 0 HE22 GLN A 34 15.337 15.142 32.429 1.00 32.24 H new ATOM 540 N LEU A 35 16.033 21.568 29.233 1.00 30.40 N ATOM 541 CA LEU A 35 15.494 21.739 27.888 1.00 64.22 C ATOM 542 C LEU A 35 16.590 22.157 26.913 1.00 41.23 C ATOM 543 O LEU A 35 17.716 22.449 27.316 1.00 42.20 O ATOM 544 CB LEU A 35 14.376 22.782 27.894 1.00 22.53 C ATOM 545 CG LEU A 35 14.584 23.984 28.817 1.00 51.42 C ATOM 546 CD1 LEU A 35 15.803 24.784 28.386 1.00 44.34 C ATOM 547 CD2 LEU A 35 13.344 24.866 28.832 1.00 53.15 C ATOM 0 H LEU A 35 16.985 21.914 29.353 1.00 30.40 H new ATOM 0 HA LEU A 35 15.087 20.782 27.561 1.00 64.22 H new ATOM 0 HB2 LEU A 35 14.244 23.149 26.876 1.00 22.53 H new ATOM 0 HB3 LEU A 35 13.447 22.288 28.178 1.00 22.53 H new ATOM 0 HG LEU A 35 14.756 23.615 29.828 1.00 51.42 H new ATOM 0 HD11 LEU A 35 15.935 25.635 29.054 1.00 44.34 H new ATOM 0 HD12 LEU A 35 16.688 24.149 28.428 1.00 44.34 H new ATOM 0 HD13 LEU A 35 15.661 25.142 27.366 1.00 44.34 H new ATOM 0 HD21 LEU A 35 13.510 25.716 29.494 1.00 53.15 H new ATOM 0 HD22 LEU A 35 13.141 25.226 27.823 1.00 53.15 H new ATOM 0 HD23 LEU A 35 12.491 24.289 29.190 1.00 53.15 H new ATOM 559 N ARG A 36 16.252 22.183 25.628 1.00 1.22 N ATOM 560 CA ARG A 36 17.208 22.566 24.595 1.00 14.33 C ATOM 561 C ARG A 36 16.487 22.968 23.311 1.00 21.32 C ATOM 562 O ARG A 36 15.909 22.129 22.621 1.00 54.53 O ATOM 563 CB ARG A 36 18.173 21.414 24.310 1.00 75.13 C ATOM 564 CG ARG A 36 19.541 21.869 23.830 1.00 22.43 C ATOM 565 CD ARG A 36 20.343 22.505 24.955 1.00 13.31 C ATOM 566 NE ARG A 36 20.665 21.544 26.007 1.00 63.12 N ATOM 567 CZ ARG A 36 21.581 21.762 26.944 1.00 74.32 C ATOM 568 NH1 ARG A 36 22.261 22.900 26.961 1.00 14.21 N ATOM 569 NH2 ARG A 36 21.818 20.839 27.868 1.00 25.22 N ATOM 0 H ARG A 36 15.325 21.944 25.277 1.00 1.22 H new ATOM 0 HA ARG A 36 17.774 23.423 24.959 1.00 14.33 H new ATOM 0 HB2 ARG A 36 18.294 20.821 25.216 1.00 75.13 H new ATOM 0 HB3 ARG A 36 17.732 20.760 23.557 1.00 75.13 H new ATOM 0 HG2 ARG A 36 20.089 21.017 23.428 1.00 22.43 H new ATOM 0 HG3 ARG A 36 19.423 22.585 23.016 1.00 22.43 H new ATOM 0 HD2 ARG A 36 21.265 22.924 24.552 1.00 13.31 H new ATOM 0 HD3 ARG A 36 19.777 23.333 25.381 1.00 13.31 H new ATOM 0 HE ARG A 36 20.159 20.658 26.023 1.00 63.12 H new ATOM 0 HH11 ARG A 36 22.082 23.612 26.253 1.00 14.21 H new ATOM 0 HH12 ARG A 36 22.964 23.064 27.682 1.00 14.21 H new ATOM 0 HH21 ARG A 36 21.297 19.962 27.859 1.00 25.22 H new ATOM 0 HH22 ARG A 36 22.521 21.006 28.587 1.00 25.22 H new ATOM 583 N LYS A 37 16.526 24.259 22.997 1.00 54.20 N ATOM 584 CA LYS A 37 15.878 24.774 21.797 1.00 4.23 C ATOM 585 C LYS A 37 16.907 25.341 20.824 1.00 12.11 C ATOM 586 O LYS A 37 17.137 26.548 20.781 1.00 23.24 O ATOM 587 CB LYS A 37 14.860 25.856 22.166 1.00 21.15 C ATOM 588 CG LYS A 37 13.969 25.478 23.336 1.00 32.25 C ATOM 589 CD LYS A 37 14.434 26.132 24.627 1.00 4.55 C ATOM 590 CE LYS A 37 14.194 27.634 24.608 1.00 3.04 C ATOM 591 NZ LYS A 37 13.645 28.124 25.902 1.00 12.13 N ATOM 0 H LYS A 37 17.000 24.967 23.557 1.00 54.20 H new ATOM 0 HA LYS A 37 15.360 23.947 21.311 1.00 4.23 H new ATOM 0 HB2 LYS A 37 15.392 26.776 22.407 1.00 21.15 H new ATOM 0 HB3 LYS A 37 14.236 26.067 21.298 1.00 21.15 H new ATOM 0 HG2 LYS A 37 12.943 25.778 23.124 1.00 32.25 H new ATOM 0 HG3 LYS A 37 13.966 24.395 23.457 1.00 32.25 H new ATOM 0 HD2 LYS A 37 13.906 25.689 25.471 1.00 4.55 H new ATOM 0 HD3 LYS A 37 15.496 25.934 24.775 1.00 4.55 H new ATOM 0 HE2 LYS A 37 15.130 28.149 24.393 1.00 3.04 H new ATOM 0 HE3 LYS A 37 13.502 27.881 23.803 1.00 3.04 H new ATOM 0 HZ1 LYS A 37 13.559 29.160 25.873 1.00 12.13 H new ATOM 0 HZ2 LYS A 37 12.708 27.703 26.063 1.00 12.13 H new ATOM 0 HZ3 LYS A 37 14.284 27.852 26.676 1.00 12.13 H new ATOM 605 N GLY A 38 17.523 24.459 20.041 1.00 21.31 N ATOM 606 CA GLY A 38 18.520 24.892 19.079 1.00 31.01 C ATOM 607 C GLY A 38 18.978 23.765 18.174 1.00 60.12 C ATOM 608 O GLY A 38 19.057 22.613 18.597 1.00 71.44 O ATOM 0 H GLY A 38 17.349 23.454 20.056 1.00 21.31 H new ATOM 0 HA2 GLY A 38 18.109 25.698 18.471 1.00 31.01 H new ATOM 0 HA3 GLY A 38 19.380 25.300 19.610 1.00 31.01 H new ATOM 612 N ALA A 39 19.281 24.099 16.923 1.00 74.32 N ATOM 613 CA ALA A 39 19.733 23.107 15.957 1.00 40.25 C ATOM 614 C ALA A 39 21.204 22.764 16.170 1.00 71.25 C ATOM 615 O ALA A 39 21.620 21.623 15.976 1.00 40.24 O ATOM 616 CB ALA A 39 19.507 23.610 14.539 1.00 54.14 C ATOM 0 H ALA A 39 19.221 25.049 16.556 1.00 74.32 H new ATOM 0 HA ALA A 39 19.149 22.199 16.106 1.00 40.25 H new ATOM 0 HB1 ALA A 39 19.849 22.859 13.827 1.00 54.14 H new ATOM 0 HB2 ALA A 39 18.445 23.798 14.385 1.00 54.14 H new ATOM 0 HB3 ALA A 39 20.065 24.534 14.387 1.00 54.14 H new ATOM 622 N ASN A 40 21.987 23.760 16.570 1.00 21.30 N ATOM 623 CA ASN A 40 23.412 23.564 16.808 1.00 43.22 C ATOM 624 C ASN A 40 23.670 23.146 18.253 1.00 41.32 C ATOM 625 O ASN A 40 24.592 22.381 18.532 1.00 42.54 O ATOM 626 CB ASN A 40 24.185 24.846 16.492 1.00 3.43 C ATOM 627 CG ASN A 40 25.483 24.573 15.756 1.00 13.10 C ATOM 628 OD1 ASN A 40 26.271 23.719 16.162 1.00 51.43 O ATOM 629 ND2 ASN A 40 25.710 25.299 14.668 1.00 23.23 N ATOM 0 H ASN A 40 21.659 24.711 16.736 1.00 21.30 H new ATOM 0 HA ASN A 40 23.758 22.767 16.150 1.00 43.22 H new ATOM 0 HB2 ASN A 40 23.560 25.504 15.889 1.00 3.43 H new ATOM 0 HB3 ASN A 40 24.401 25.375 17.420 1.00 3.43 H new ATOM 0 HD21 ASN A 40 26.566 25.160 14.131 1.00 23.23 H new ATOM 0 HD22 ASN A 40 25.028 25.996 14.369 1.00 23.23 H new ATOM 636 N GLU A 41 22.848 23.654 19.165 1.00 61.25 N ATOM 637 CA GLU A 41 22.988 23.332 20.582 1.00 11.22 C ATOM 638 C GLU A 41 22.662 21.864 20.841 1.00 24.12 C ATOM 639 O GLU A 41 23.172 21.262 21.785 1.00 3.54 O ATOM 640 CB GLU A 41 22.074 24.226 21.423 1.00 14.12 C ATOM 641 CG GLU A 41 22.726 25.529 21.854 1.00 1.23 C ATOM 642 CD GLU A 41 22.161 26.060 23.157 1.00 64.01 C ATOM 643 OE1 GLU A 41 21.170 26.818 23.107 1.00 34.30 O ATOM 644 OE2 GLU A 41 22.710 25.720 24.224 1.00 74.35 O ATOM 0 H GLU A 41 22.079 24.289 18.950 1.00 61.25 H new ATOM 0 HA GLU A 41 24.024 23.512 20.869 1.00 11.22 H new ATOM 0 HB2 GLU A 41 21.174 24.452 20.851 1.00 14.12 H new ATOM 0 HB3 GLU A 41 21.758 23.677 22.310 1.00 14.12 H new ATOM 0 HG2 GLU A 41 23.799 25.375 21.964 1.00 1.23 H new ATOM 0 HG3 GLU A 41 22.589 26.276 21.072 1.00 1.23 H new ATOM 651 N ALA A 42 21.807 21.296 19.996 1.00 44.14 N ATOM 652 CA ALA A 42 21.414 19.899 20.133 1.00 4.25 C ATOM 653 C ALA A 42 22.618 18.974 19.996 1.00 3.31 C ATOM 654 O ALA A 42 22.612 17.851 20.502 1.00 45.22 O ATOM 655 CB ALA A 42 20.354 19.547 19.099 1.00 64.05 C ATOM 0 H ALA A 42 21.374 21.781 19.210 1.00 44.14 H new ATOM 0 HA ALA A 42 20.995 19.760 21.130 1.00 4.25 H new ATOM 0 HB1 ALA A 42 20.069 18.501 19.212 1.00 64.05 H new ATOM 0 HB2 ALA A 42 19.479 20.180 19.246 1.00 64.05 H new ATOM 0 HB3 ALA A 42 20.754 19.708 18.098 1.00 64.05 H new ATOM 661 N THR A 43 23.650 19.451 19.307 1.00 55.32 N ATOM 662 CA THR A 43 24.860 18.665 19.102 1.00 43.23 C ATOM 663 C THR A 43 25.640 18.506 20.403 1.00 15.01 C ATOM 664 O THR A 43 26.399 17.551 20.571 1.00 23.31 O ATOM 665 CB THR A 43 25.777 19.310 18.045 1.00 14.23 C ATOM 666 OG1 THR A 43 26.404 20.478 18.586 1.00 72.05 O ATOM 667 CG2 THR A 43 24.986 19.685 16.800 1.00 15.32 C ATOM 0 H THR A 43 23.672 20.378 18.882 1.00 55.32 H new ATOM 0 HA THR A 43 24.543 17.684 18.748 1.00 43.23 H new ATOM 0 HB THR A 43 26.541 18.584 17.768 1.00 14.23 H new ATOM 0 HG1 THR A 43 25.718 21.089 18.927 1.00 72.05 H new ATOM 0 HG21 THR A 43 25.654 20.139 16.068 1.00 15.32 H new ATOM 0 HG22 THR A 43 24.533 18.790 16.373 1.00 15.32 H new ATOM 0 HG23 THR A 43 24.203 20.395 17.066 1.00 15.32 H new ATOM 675 N LYS A 44 25.446 19.446 21.322 1.00 15.50 N ATOM 676 CA LYS A 44 26.129 19.409 22.610 1.00 21.10 C ATOM 677 C LYS A 44 25.638 18.236 23.452 1.00 33.23 C ATOM 678 O LYS A 44 26.436 17.463 23.983 1.00 32.42 O ATOM 679 CB LYS A 44 25.906 20.722 23.365 1.00 45.14 C ATOM 680 CG LYS A 44 26.702 21.888 22.803 1.00 70.53 C ATOM 681 CD LYS A 44 27.117 22.858 23.898 1.00 34.24 C ATOM 682 CE LYS A 44 28.498 23.437 23.636 1.00 45.23 C ATOM 683 NZ LYS A 44 29.545 22.770 24.458 1.00 55.52 N ATOM 0 H LYS A 44 24.821 20.243 21.199 1.00 15.50 H new ATOM 0 HA LYS A 44 27.195 19.279 22.425 1.00 21.10 H new ATOM 0 HB2 LYS A 44 24.845 20.971 23.339 1.00 45.14 H new ATOM 0 HB3 LYS A 44 26.175 20.580 24.412 1.00 45.14 H new ATOM 0 HG2 LYS A 44 27.589 21.512 22.293 1.00 70.53 H new ATOM 0 HG3 LYS A 44 26.104 22.413 22.058 1.00 70.53 H new ATOM 0 HD2 LYS A 44 26.389 23.667 23.964 1.00 34.24 H new ATOM 0 HD3 LYS A 44 27.113 22.346 24.860 1.00 34.24 H new ATOM 0 HE2 LYS A 44 28.742 23.329 22.579 1.00 45.23 H new ATOM 0 HE3 LYS A 44 28.491 24.505 23.854 1.00 45.23 H new ATOM 0 HZ1 LYS A 44 30.472 23.193 24.250 1.00 55.52 H new ATOM 0 HZ2 LYS A 44 29.326 22.895 25.467 1.00 55.52 H new ATOM 0 HZ3 LYS A 44 29.570 21.755 24.232 1.00 55.52 H new ATOM 697 N THR A 45 24.320 18.108 23.571 1.00 24.24 N ATOM 698 CA THR A 45 23.723 17.030 24.349 1.00 44.51 C ATOM 699 C THR A 45 24.228 15.670 23.879 1.00 74.51 C ATOM 700 O THR A 45 24.815 14.914 24.654 1.00 71.25 O ATOM 701 CB THR A 45 22.186 17.055 24.255 1.00 75.31 C ATOM 702 OG1 THR A 45 21.781 17.360 22.916 1.00 35.14 O ATOM 703 CG2 THR A 45 21.603 18.082 25.214 1.00 32.13 C ATOM 0 H THR A 45 23.645 18.739 23.138 1.00 24.24 H new ATOM 0 HA THR A 45 24.018 17.186 25.387 1.00 44.51 H new ATOM 0 HB THR A 45 21.811 16.069 24.531 1.00 75.31 H new ATOM 0 HG1 THR A 45 22.575 17.486 22.355 1.00 35.14 H new ATOM 0 HG21 THR A 45 20.516 18.082 25.130 1.00 32.13 H new ATOM 0 HG22 THR A 45 21.888 17.829 26.235 1.00 32.13 H new ATOM 0 HG23 THR A 45 21.986 19.071 24.965 1.00 32.13 H new ATOM 711 N LEU A 46 23.996 15.364 22.608 1.00 24.01 N ATOM 712 CA LEU A 46 24.429 14.095 22.035 1.00 12.01 C ATOM 713 C LEU A 46 25.941 13.934 22.147 1.00 62.22 C ATOM 714 O LEU A 46 26.449 12.820 22.264 1.00 50.04 O ATOM 715 CB LEU A 46 24.001 14.002 20.569 1.00 71.03 C ATOM 716 CG LEU A 46 23.464 12.646 20.111 1.00 15.33 C ATOM 717 CD1 LEU A 46 23.193 12.656 18.614 1.00 64.44 C ATOM 718 CD2 LEU A 46 24.441 11.535 20.471 1.00 21.05 C ATOM 0 H LEU A 46 23.510 15.978 21.954 1.00 24.01 H new ATOM 0 HA LEU A 46 23.955 13.290 22.597 1.00 12.01 H new ATOM 0 HB2 LEU A 46 23.234 14.754 20.387 1.00 71.03 H new ATOM 0 HB3 LEU A 46 24.856 14.261 19.945 1.00 71.03 H new ATOM 0 HG LEU A 46 22.523 12.457 20.628 1.00 15.33 H new ATOM 0 HD11 LEU A 46 22.811 11.682 18.307 1.00 64.44 H new ATOM 0 HD12 LEU A 46 22.455 13.424 18.383 1.00 64.44 H new ATOM 0 HD13 LEU A 46 24.118 12.869 18.078 1.00 64.44 H new ATOM 0 HD21 LEU A 46 24.042 10.577 20.137 1.00 21.05 H new ATOM 0 HD22 LEU A 46 25.398 11.719 19.983 1.00 21.05 H new ATOM 0 HD23 LEU A 46 24.584 11.512 21.551 1.00 21.05 H new ATOM 730 N ASN A 47 26.655 15.054 22.112 1.00 15.34 N ATOM 731 CA ASN A 47 28.110 15.037 22.210 1.00 23.45 C ATOM 732 C ASN A 47 28.556 14.509 23.570 1.00 44.21 C ATOM 733 O ASN A 47 29.587 13.845 23.681 1.00 52.21 O ATOM 734 CB ASN A 47 28.673 16.442 21.987 1.00 71.31 C ATOM 735 CG ASN A 47 29.080 16.680 20.545 1.00 75.41 C ATOM 736 OD1 ASN A 47 28.680 15.940 19.646 1.00 62.52 O ATOM 737 ND2 ASN A 47 29.880 17.715 20.320 1.00 23.04 N ATOM 0 H ASN A 47 26.250 15.985 22.016 1.00 15.34 H new ATOM 0 HA ASN A 47 28.494 14.372 21.437 1.00 23.45 H new ATOM 0 HB2 ASN A 47 27.925 17.180 22.277 1.00 71.31 H new ATOM 0 HB3 ASN A 47 29.537 16.591 22.635 1.00 71.31 H new ATOM 0 HD21 ASN A 47 30.188 17.924 19.371 1.00 23.04 H new ATOM 0 HD22 ASN A 47 30.186 18.301 21.097 1.00 23.04 H new ATOM 744 N ARG A 48 27.773 14.807 24.601 1.00 62.40 N ATOM 745 CA ARG A 48 28.088 14.362 25.953 1.00 23.42 C ATOM 746 C ARG A 48 27.558 12.953 26.200 1.00 24.25 C ATOM 747 O ARG A 48 28.068 12.227 27.052 1.00 30.22 O ATOM 748 CB ARG A 48 27.496 15.329 26.981 1.00 75.12 C ATOM 749 CG ARG A 48 28.396 15.567 28.184 1.00 41.42 C ATOM 750 CD ARG A 48 27.591 15.679 29.469 1.00 11.34 C ATOM 751 NE ARG A 48 28.386 16.224 30.566 1.00 71.11 N ATOM 752 CZ ARG A 48 29.259 15.509 31.267 1.00 12.02 C ATOM 753 NH1 ARG A 48 29.449 14.227 30.985 1.00 12.03 N ATOM 754 NH2 ARG A 48 29.945 16.077 32.251 1.00 53.35 N ATOM 0 H ARG A 48 26.916 15.355 24.526 1.00 62.40 H new ATOM 0 HA ARG A 48 29.173 14.347 26.060 1.00 23.42 H new ATOM 0 HB2 ARG A 48 27.294 16.283 26.495 1.00 75.12 H new ATOM 0 HB3 ARG A 48 26.539 14.938 27.326 1.00 75.12 H new ATOM 0 HG2 ARG A 48 29.111 14.749 28.272 1.00 41.42 H new ATOM 0 HG3 ARG A 48 28.972 16.480 28.034 1.00 41.42 H new ATOM 0 HD2 ARG A 48 26.723 16.316 29.299 1.00 11.34 H new ATOM 0 HD3 ARG A 48 27.214 14.695 29.748 1.00 11.34 H new ATOM 0 HE ARG A 48 28.264 17.208 30.807 1.00 71.11 H new ATOM 0 HH11 ARG A 48 28.924 13.788 30.228 1.00 12.03 H new ATOM 0 HH12 ARG A 48 30.120 13.680 31.525 1.00 12.03 H new ATOM 0 HH21 ARG A 48 29.802 17.063 32.469 1.00 53.35 H new ATOM 0 HH22 ARG A 48 30.615 15.527 32.789 1.00 53.35 H new ATOM 768 N GLY A 49 26.530 12.573 25.447 1.00 41.03 N ATOM 769 CA GLY A 49 25.947 11.253 25.599 1.00 43.31 C ATOM 770 C GLY A 49 24.727 11.257 26.498 1.00 12.03 C ATOM 771 O GLY A 49 24.577 10.386 27.355 1.00 20.35 O ATOM 0 H GLY A 49 26.091 13.156 24.735 1.00 41.03 H new ATOM 0 HA2 GLY A 49 25.670 10.867 24.618 1.00 43.31 H new ATOM 0 HA3 GLY A 49 26.695 10.574 26.010 1.00 43.31 H new ATOM 775 N ILE A 50 23.855 12.241 26.303 1.00 60.42 N ATOM 776 CA ILE A 50 22.643 12.355 27.105 1.00 13.42 C ATOM 777 C ILE A 50 21.483 12.893 26.272 1.00 50.34 C ATOM 778 O ILE A 50 20.496 13.390 26.813 1.00 13.13 O ATOM 779 CB ILE A 50 22.856 13.275 28.321 1.00 55.40 C ATOM 780 CG1 ILE A 50 23.330 14.657 27.866 1.00 54.14 C ATOM 781 CG2 ILE A 50 23.857 12.655 29.284 1.00 11.14 C ATOM 782 CD1 ILE A 50 22.200 15.610 27.549 1.00 33.13 C ATOM 0 H ILE A 50 23.965 12.970 25.598 1.00 60.42 H new ATOM 0 HA ILE A 50 22.402 11.352 27.457 1.00 13.42 H new ATOM 0 HB ILE A 50 21.905 13.392 28.841 1.00 55.40 H new ATOM 0 HG12 ILE A 50 23.954 15.093 28.646 1.00 54.14 H new ATOM 0 HG13 ILE A 50 23.958 14.544 26.982 1.00 54.14 H new ATOM 0 HG21 ILE A 50 23.997 13.317 30.139 1.00 11.14 H new ATOM 0 HG22 ILE A 50 23.481 11.692 29.629 1.00 11.14 H new ATOM 0 HG23 ILE A 50 24.810 12.512 28.775 1.00 11.14 H new ATOM 0 HD11 ILE A 50 22.611 16.569 27.233 1.00 33.13 H new ATOM 0 HD12 ILE A 50 21.589 15.196 26.747 1.00 33.13 H new ATOM 0 HD13 ILE A 50 21.585 15.753 28.437 1.00 33.13 H new ATOM 794 N SER A 51 21.609 12.786 24.953 1.00 52.41 N ATOM 795 CA SER A 51 20.573 13.263 24.045 1.00 11.24 C ATOM 796 C SER A 51 19.565 12.158 23.743 1.00 60.10 C ATOM 797 O SER A 51 19.775 11.340 22.848 1.00 73.22 O ATOM 798 CB SER A 51 21.198 13.768 22.744 1.00 11.04 C ATOM 799 OG SER A 51 20.228 13.864 21.715 1.00 21.22 O ATOM 0 H SER A 51 22.418 12.373 24.490 1.00 52.41 H new ATOM 0 HA SER A 51 20.049 14.086 24.531 1.00 11.24 H new ATOM 0 HB2 SER A 51 21.653 14.744 22.911 1.00 11.04 H new ATOM 0 HB3 SER A 51 21.996 13.093 22.434 1.00 11.04 H new ATOM 0 HG SER A 51 20.186 13.016 21.225 1.00 21.22 H new ATOM 805 N GLU A 52 18.470 12.141 24.497 1.00 23.22 N ATOM 806 CA GLU A 52 17.430 11.137 24.311 1.00 64.31 C ATOM 807 C GLU A 52 16.951 11.112 22.863 1.00 10.35 C ATOM 808 O GLU A 52 16.827 10.047 22.256 1.00 22.35 O ATOM 809 CB GLU A 52 16.250 11.413 25.245 1.00 42.21 C ATOM 810 CG GLU A 52 16.568 11.179 26.713 1.00 1.01 C ATOM 811 CD GLU A 52 17.164 9.808 26.969 1.00 24.03 C ATOM 812 OE1 GLU A 52 16.419 8.811 26.877 1.00 41.15 O ATOM 813 OE2 GLU A 52 18.376 9.735 27.261 1.00 34.52 O ATOM 0 H GLU A 52 18.281 12.811 25.242 1.00 23.22 H new ATOM 0 HA GLU A 52 17.855 10.163 24.552 1.00 64.31 H new ATOM 0 HB2 GLU A 52 15.926 12.445 25.112 1.00 42.21 H new ATOM 0 HB3 GLU A 52 15.413 10.777 24.957 1.00 42.21 H new ATOM 0 HG2 GLU A 52 17.264 11.944 27.057 1.00 1.01 H new ATOM 0 HG3 GLU A 52 15.657 11.291 27.301 1.00 1.01 H new ATOM 820 N PHE A 53 16.682 12.292 22.314 1.00 0.21 N ATOM 821 CA PHE A 53 16.215 12.407 20.937 1.00 23.01 C ATOM 822 C PHE A 53 16.116 13.870 20.517 1.00 5.05 C ATOM 823 O PHE A 53 15.964 14.759 21.355 1.00 24.42 O ATOM 824 CB PHE A 53 14.854 11.726 20.780 1.00 52.11 C ATOM 825 CG PHE A 53 13.763 12.372 21.586 1.00 42.52 C ATOM 826 CD1 PHE A 53 13.659 12.138 22.947 1.00 64.15 C ATOM 827 CD2 PHE A 53 12.843 13.213 20.982 1.00 41.14 C ATOM 828 CE1 PHE A 53 12.656 12.731 23.691 1.00 72.23 C ATOM 829 CE2 PHE A 53 11.838 13.809 21.721 1.00 44.40 C ATOM 830 CZ PHE A 53 11.746 13.568 23.078 1.00 12.32 C ATOM 0 H PHE A 53 16.779 13.183 22.802 1.00 0.21 H new ATOM 0 HA PHE A 53 16.939 11.910 20.291 1.00 23.01 H new ATOM 0 HB2 PHE A 53 14.571 11.736 19.727 1.00 52.11 H new ATOM 0 HB3 PHE A 53 14.943 10.681 21.076 1.00 52.11 H new ATOM 0 HD1 PHE A 53 14.369 11.485 23.432 1.00 64.15 H new ATOM 0 HD2 PHE A 53 12.912 13.405 19.921 1.00 41.14 H new ATOM 0 HE1 PHE A 53 12.585 12.539 24.751 1.00 72.23 H new ATOM 0 HE2 PHE A 53 11.126 14.462 21.238 1.00 44.40 H new ATOM 0 HZ PHE A 53 10.963 14.034 23.658 1.00 12.32 H new ATOM 840 N ILE A 54 16.202 14.112 19.213 1.00 5.31 N ATOM 841 CA ILE A 54 16.122 15.466 18.681 1.00 2.42 C ATOM 842 C ILE A 54 15.061 15.567 17.590 1.00 64.03 C ATOM 843 O ILE A 54 15.059 14.787 16.637 1.00 31.34 O ATOM 844 CB ILE A 54 17.475 15.928 18.109 1.00 45.43 C ATOM 845 CG1 ILE A 54 18.589 15.709 19.135 1.00 3.42 C ATOM 846 CG2 ILE A 54 17.405 17.391 17.697 1.00 45.32 C ATOM 847 CD1 ILE A 54 19.628 14.702 18.694 1.00 51.45 C ATOM 0 H ILE A 54 16.327 13.388 18.506 1.00 5.31 H new ATOM 0 HA ILE A 54 15.848 16.115 19.513 1.00 2.42 H new ATOM 0 HB ILE A 54 17.701 15.333 17.224 1.00 45.43 H new ATOM 0 HG12 ILE A 54 19.080 16.661 19.335 1.00 3.42 H new ATOM 0 HG13 ILE A 54 18.147 15.375 20.074 1.00 3.42 H new ATOM 0 HG21 ILE A 54 18.369 17.702 17.295 1.00 45.32 H new ATOM 0 HG22 ILE A 54 16.636 17.518 16.935 1.00 45.32 H new ATOM 0 HG23 ILE A 54 17.160 18.002 18.566 1.00 45.32 H new ATOM 0 HD11 ILE A 54 20.386 14.598 19.470 1.00 51.45 H new ATOM 0 HD12 ILE A 54 19.150 13.738 18.522 1.00 51.45 H new ATOM 0 HD13 ILE A 54 20.098 15.044 17.772 1.00 51.45 H new ATOM 859 N VAL A 55 14.160 16.532 17.737 1.00 24.34 N ATOM 860 CA VAL A 55 13.094 16.738 16.763 1.00 62.33 C ATOM 861 C VAL A 55 13.290 18.043 16.001 1.00 12.15 C ATOM 862 O VAL A 55 13.750 19.038 16.560 1.00 71.51 O ATOM 863 CB VAL A 55 11.711 16.754 17.440 1.00 74.24 C ATOM 864 CG1 VAL A 55 10.605 16.770 16.395 1.00 35.31 C ATOM 865 CG2 VAL A 55 11.559 15.560 18.370 1.00 21.20 C ATOM 0 H VAL A 55 14.146 17.184 18.521 1.00 24.34 H new ATOM 0 HA VAL A 55 13.138 15.903 16.064 1.00 62.33 H new ATOM 0 HB VAL A 55 11.628 17.663 18.036 1.00 74.24 H new ATOM 0 HG11 VAL A 55 9.635 16.781 16.892 1.00 35.31 H new ATOM 0 HG12 VAL A 55 10.705 17.660 15.773 1.00 35.31 H new ATOM 0 HG13 VAL A 55 10.682 15.880 15.770 1.00 35.31 H new ATOM 0 HG21 VAL A 55 10.576 15.588 18.840 1.00 21.20 H new ATOM 0 HG22 VAL A 55 11.662 14.638 17.798 1.00 21.20 H new ATOM 0 HG23 VAL A 55 12.330 15.598 19.140 1.00 21.20 H new ATOM 875 N MET A 56 12.936 18.032 14.720 1.00 3.53 N ATOM 876 CA MET A 56 13.072 19.217 13.880 1.00 34.54 C ATOM 877 C MET A 56 11.873 19.365 12.949 1.00 54.41 C ATOM 878 O MET A 56 11.394 18.384 12.379 1.00 24.40 O ATOM 879 CB MET A 56 14.362 19.144 13.060 1.00 62.33 C ATOM 880 CG MET A 56 15.577 18.733 13.876 1.00 32.43 C ATOM 881 SD MET A 56 16.000 16.992 13.665 1.00 33.42 S ATOM 882 CE MET A 56 17.709 16.991 14.200 1.00 3.14 C ATOM 0 H MET A 56 12.553 17.217 14.241 1.00 3.53 H new ATOM 0 HA MET A 56 13.114 20.089 14.532 1.00 34.54 H new ATOM 0 HB2 MET A 56 14.225 18.434 12.244 1.00 62.33 H new ATOM 0 HB3 MET A 56 14.551 20.117 12.607 1.00 62.33 H new ATOM 0 HG2 MET A 56 16.429 19.348 13.586 1.00 32.43 H new ATOM 0 HG3 MET A 56 15.385 18.931 14.931 1.00 32.43 H new ATOM 0 HE1 MET A 56 17.905 16.095 14.789 1.00 3.14 H new ATOM 0 HE2 MET A 56 18.363 17.003 13.328 1.00 3.14 H new ATOM 0 HE3 MET A 56 17.900 17.875 14.809 1.00 3.14 H new ATOM 892 N ALA A 57 11.391 20.594 12.800 1.00 73.22 N ATOM 893 CA ALA A 57 10.249 20.868 11.937 1.00 53.12 C ATOM 894 C ALA A 57 10.584 20.583 10.477 1.00 15.22 C ATOM 895 O ALA A 57 11.432 21.248 9.883 1.00 30.52 O ATOM 896 CB ALA A 57 9.795 22.310 12.105 1.00 1.34 C ATOM 0 H ALA A 57 11.774 21.416 13.266 1.00 73.22 H new ATOM 0 HA ALA A 57 9.435 20.206 12.231 1.00 53.12 H new ATOM 0 HB1 ALA A 57 8.941 22.501 11.455 1.00 1.34 H new ATOM 0 HB2 ALA A 57 9.507 22.482 13.142 1.00 1.34 H new ATOM 0 HB3 ALA A 57 10.611 22.982 11.839 1.00 1.34 H new ATOM 902 N ALA A 58 9.912 19.590 9.904 1.00 13.43 N ATOM 903 CA ALA A 58 10.137 19.218 8.512 1.00 74.04 C ATOM 904 C ALA A 58 9.871 20.394 7.580 1.00 1.15 C ATOM 905 O ALA A 58 10.413 20.459 6.476 1.00 12.22 O ATOM 906 CB ALA A 58 9.260 18.034 8.134 1.00 50.23 C ATOM 0 H ALA A 58 9.207 19.029 10.382 1.00 13.43 H new ATOM 0 HA ALA A 58 11.183 18.931 8.403 1.00 74.04 H new ATOM 0 HB1 ALA A 58 9.438 17.767 7.092 1.00 50.23 H new ATOM 0 HB2 ALA A 58 9.501 17.184 8.773 1.00 50.23 H new ATOM 0 HB3 ALA A 58 8.211 18.301 8.266 1.00 50.23 H new ATOM 912 N ASP A 59 9.034 21.322 8.030 1.00 23.41 N ATOM 913 CA ASP A 59 8.696 22.498 7.235 1.00 62.32 C ATOM 914 C ASP A 59 9.349 23.750 7.813 1.00 44.13 C ATOM 915 O ASP A 59 8.775 24.837 7.770 1.00 63.21 O ATOM 916 CB ASP A 59 7.179 22.681 7.175 1.00 51.34 C ATOM 917 CG ASP A 59 6.705 23.135 5.809 1.00 1.21 C ATOM 918 OD1 ASP A 59 7.107 22.513 4.804 1.00 2.42 O ATOM 919 OD2 ASP A 59 5.932 24.114 5.744 1.00 33.42 O ATOM 0 H ASP A 59 8.577 21.283 8.941 1.00 23.41 H new ATOM 0 HA ASP A 59 9.076 22.345 6.225 1.00 62.32 H new ATOM 0 HB2 ASP A 59 6.692 21.740 7.431 1.00 51.34 H new ATOM 0 HB3 ASP A 59 6.874 23.412 7.924 1.00 51.34 H new ATOM 924 N ALA A 60 10.553 23.589 8.353 1.00 40.34 N ATOM 925 CA ALA A 60 11.284 24.706 8.939 1.00 42.51 C ATOM 926 C ALA A 60 12.673 24.836 8.322 1.00 12.35 C ATOM 927 O ALA A 60 13.255 23.852 7.870 1.00 54.23 O ATOM 928 CB ALA A 60 11.388 24.536 10.447 1.00 12.50 C ATOM 0 H ALA A 60 11.043 22.695 8.397 1.00 40.34 H new ATOM 0 HA ALA A 60 10.732 25.622 8.725 1.00 42.51 H new ATOM 0 HB1 ALA A 60 11.936 25.377 10.871 1.00 12.50 H new ATOM 0 HB2 ALA A 60 10.388 24.500 10.879 1.00 12.50 H new ATOM 0 HB3 ALA A 60 11.915 23.609 10.673 1.00 12.50 H new ATOM 934 N GLU A 61 13.196 26.058 8.306 1.00 61.30 N ATOM 935 CA GLU A 61 14.516 26.316 7.743 1.00 61.13 C ATOM 936 C GLU A 61 15.339 27.206 8.670 1.00 0.10 C ATOM 937 O GLU A 61 14.809 27.890 9.546 1.00 54.11 O ATOM 938 CB GLU A 61 14.389 26.973 6.367 1.00 31.24 C ATOM 939 CG GLU A 61 14.529 25.998 5.211 1.00 61.01 C ATOM 940 CD GLU A 61 14.869 26.687 3.904 1.00 1.21 C ATOM 941 OE1 GLU A 61 15.447 27.794 3.951 1.00 52.41 O ATOM 942 OE2 GLU A 61 14.558 26.121 2.836 1.00 2.55 O ATOM 0 H GLU A 61 12.726 26.884 8.676 1.00 61.30 H new ATOM 0 HA GLU A 61 15.029 25.361 7.635 1.00 61.13 H new ATOM 0 HB2 GLU A 61 13.420 27.468 6.298 1.00 31.24 H new ATOM 0 HB3 GLU A 61 15.150 27.747 6.272 1.00 31.24 H new ATOM 0 HG2 GLU A 61 15.306 25.270 5.446 1.00 61.01 H new ATOM 0 HG3 GLU A 61 13.598 25.444 5.094 1.00 61.01 H new ATOM 949 N PRO A 62 16.666 27.198 8.474 1.00 32.03 N ATOM 950 CA PRO A 62 17.307 26.387 7.434 1.00 21.20 C ATOM 951 C PRO A 62 17.244 24.895 7.742 1.00 2.10 C ATOM 952 O PRO A 62 17.261 24.489 8.904 1.00 62.34 O ATOM 953 CB PRO A 62 18.757 26.876 7.449 1.00 41.21 C ATOM 954 CG PRO A 62 18.965 27.407 8.825 1.00 14.42 C ATOM 955 CD PRO A 62 17.642 27.978 9.252 1.00 1.15 C ATOM 0 HA PRO A 62 16.815 26.498 6.468 1.00 21.20 H new ATOM 0 HB2 PRO A 62 19.451 26.064 7.229 1.00 41.21 H new ATOM 0 HB3 PRO A 62 18.922 27.648 6.698 1.00 41.21 H new ATOM 0 HG2 PRO A 62 19.287 26.617 9.504 1.00 14.42 H new ATOM 0 HG3 PRO A 62 19.742 28.172 8.835 1.00 14.42 H new ATOM 0 HD2 PRO A 62 17.483 27.865 10.324 1.00 1.15 H new ATOM 0 HD3 PRO A 62 17.574 29.043 9.030 1.00 1.15 H new ATOM 963 N LEU A 63 17.173 24.083 6.694 1.00 53.35 N ATOM 964 CA LEU A 63 17.108 22.634 6.851 1.00 61.32 C ATOM 965 C LEU A 63 18.505 22.019 6.817 1.00 33.04 C ATOM 966 O LEU A 63 18.759 21.001 7.458 1.00 43.44 O ATOM 967 CB LEU A 63 16.241 22.019 5.751 1.00 74.43 C ATOM 968 CG LEU A 63 15.385 20.821 6.163 1.00 51.33 C ATOM 969 CD1 LEU A 63 16.254 19.723 6.757 1.00 12.53 C ATOM 970 CD2 LEU A 63 14.311 21.247 7.154 1.00 10.23 C ATOM 0 H LEU A 63 17.159 24.403 5.726 1.00 53.35 H new ATOM 0 HA LEU A 63 16.659 22.419 7.821 1.00 61.32 H new ATOM 0 HB2 LEU A 63 15.582 22.794 5.360 1.00 74.43 H new ATOM 0 HB3 LEU A 63 16.892 21.711 4.933 1.00 74.43 H new ATOM 0 HG LEU A 63 14.894 20.427 5.273 1.00 51.33 H new ATOM 0 HD11 LEU A 63 15.627 18.879 7.044 1.00 12.53 H new ATOM 0 HD12 LEU A 63 16.985 19.397 6.017 1.00 12.53 H new ATOM 0 HD13 LEU A 63 16.773 20.105 7.636 1.00 12.53 H new ATOM 0 HD21 LEU A 63 13.712 20.381 7.436 1.00 10.23 H new ATOM 0 HD22 LEU A 63 14.782 21.667 8.043 1.00 10.23 H new ATOM 0 HD23 LEU A 63 13.669 21.998 6.694 1.00 10.23 H new ATOM 982 N GLU A 64 19.403 22.648 6.065 1.00 33.13 N ATOM 983 CA GLU A 64 20.773 22.163 5.949 1.00 12.31 C ATOM 984 C GLU A 64 21.393 21.948 7.326 1.00 72.11 C ATOM 985 O GLU A 64 21.956 20.889 7.607 1.00 42.43 O ATOM 986 CB GLU A 64 21.621 23.150 5.144 1.00 23.04 C ATOM 987 CG GLU A 64 22.080 22.606 3.802 1.00 21.04 C ATOM 988 CD GLU A 64 23.191 23.434 3.186 1.00 65.34 C ATOM 989 OE1 GLU A 64 23.671 24.374 3.855 1.00 73.20 O ATOM 990 OE2 GLU A 64 23.582 23.143 2.037 1.00 52.11 O ATOM 0 H GLU A 64 19.207 23.493 5.528 1.00 33.13 H new ATOM 0 HA GLU A 64 20.749 21.206 5.427 1.00 12.31 H new ATOM 0 HB2 GLU A 64 21.045 24.061 4.979 1.00 23.04 H new ATOM 0 HB3 GLU A 64 22.496 23.428 5.732 1.00 23.04 H new ATOM 0 HG2 GLU A 64 22.424 21.580 3.929 1.00 21.04 H new ATOM 0 HG3 GLU A 64 21.232 22.575 3.117 1.00 21.04 H new ATOM 997 N ILE A 65 21.286 22.959 8.182 1.00 12.34 N ATOM 998 CA ILE A 65 21.835 22.881 9.529 1.00 41.03 C ATOM 999 C ILE A 65 21.329 21.641 10.258 1.00 53.34 C ATOM 1000 O ILE A 65 22.093 20.952 10.934 1.00 61.45 O ATOM 1001 CB ILE A 65 21.477 24.130 10.356 1.00 51.22 C ATOM 1002 CG1 ILE A 65 22.006 25.391 9.671 1.00 22.30 C ATOM 1003 CG2 ILE A 65 22.038 24.010 11.766 1.00 12.23 C ATOM 1004 CD1 ILE A 65 21.685 26.665 10.420 1.00 23.42 C ATOM 0 H ILE A 65 20.824 23.842 7.966 1.00 12.34 H new ATOM 0 HA ILE A 65 22.918 22.822 9.425 1.00 41.03 H new ATOM 0 HB ILE A 65 20.392 24.205 10.423 1.00 51.22 H new ATOM 0 HG12 ILE A 65 23.087 25.308 9.559 1.00 22.30 H new ATOM 0 HG13 ILE A 65 21.585 25.453 8.667 1.00 22.30 H new ATOM 0 HG21 ILE A 65 21.777 24.900 12.338 1.00 12.23 H new ATOM 0 HG22 ILE A 65 21.617 23.130 12.252 1.00 12.23 H new ATOM 0 HG23 ILE A 65 23.123 23.914 11.719 1.00 12.23 H new ATOM 0 HD11 ILE A 65 22.090 27.519 9.877 1.00 23.42 H new ATOM 0 HD12 ILE A 65 20.604 26.772 10.509 1.00 23.42 H new ATOM 0 HD13 ILE A 65 22.129 26.624 11.415 1.00 23.42 H new ATOM 1016 N ILE A 66 20.038 21.360 10.112 1.00 61.33 N ATOM 1017 CA ILE A 66 19.432 20.200 10.754 1.00 20.33 C ATOM 1018 C ILE A 66 20.067 18.905 10.262 1.00 10.35 C ATOM 1019 O ILE A 66 20.049 17.888 10.956 1.00 22.33 O ATOM 1020 CB ILE A 66 17.915 20.145 10.498 1.00 32.22 C ATOM 1021 CG1 ILE A 66 17.242 21.420 11.013 1.00 55.04 C ATOM 1022 CG2 ILE A 66 17.310 18.916 11.161 1.00 44.22 C ATOM 1023 CD1 ILE A 66 15.813 21.580 10.544 1.00 31.34 C ATOM 0 H ILE A 66 19.392 21.920 9.555 1.00 61.33 H new ATOM 0 HA ILE A 66 19.608 20.303 11.825 1.00 20.33 H new ATOM 0 HB ILE A 66 17.745 20.075 9.424 1.00 32.22 H new ATOM 0 HG12 ILE A 66 17.260 21.416 12.103 1.00 55.04 H new ATOM 0 HG13 ILE A 66 17.822 22.284 10.688 1.00 55.04 H new ATOM 0 HG21 ILE A 66 16.237 18.891 10.971 1.00 44.22 H new ATOM 0 HG22 ILE A 66 17.772 18.017 10.752 1.00 44.22 H new ATOM 0 HG23 ILE A 66 17.487 18.958 12.236 1.00 44.22 H new ATOM 0 HD11 ILE A 66 15.399 22.504 10.947 1.00 31.34 H new ATOM 0 HD12 ILE A 66 15.789 21.616 9.455 1.00 31.34 H new ATOM 0 HD13 ILE A 66 15.219 20.735 10.892 1.00 31.34 H new ATOM 1035 N LEU A 67 20.630 18.949 9.058 1.00 74.51 N ATOM 1036 CA LEU A 67 21.273 17.778 8.472 1.00 33.24 C ATOM 1037 C LEU A 67 22.728 17.676 8.917 1.00 22.51 C ATOM 1038 O LEU A 67 23.384 16.656 8.703 1.00 13.23 O ATOM 1039 CB LEU A 67 21.198 17.841 6.946 1.00 2.42 C ATOM 1040 CG LEU A 67 20.710 16.573 6.244 1.00 32.05 C ATOM 1041 CD1 LEU A 67 19.263 16.281 6.615 1.00 24.30 C ATOM 1042 CD2 LEU A 67 20.858 16.708 4.735 1.00 75.15 C ATOM 0 H LEU A 67 20.654 19.782 8.470 1.00 74.51 H new ATOM 0 HA LEU A 67 20.743 16.891 8.819 1.00 33.24 H new ATOM 0 HB2 LEU A 67 20.538 18.663 6.668 1.00 2.42 H new ATOM 0 HB3 LEU A 67 22.189 18.085 6.563 1.00 2.42 H new ATOM 0 HG LEU A 67 21.325 15.737 6.576 1.00 32.05 H new ATOM 0 HD11 LEU A 67 18.933 15.375 6.106 1.00 24.30 H new ATOM 0 HD12 LEU A 67 19.185 16.141 7.693 1.00 24.30 H new ATOM 0 HD13 LEU A 67 18.634 17.118 6.312 1.00 24.30 H new ATOM 0 HD21 LEU A 67 20.506 15.797 4.252 1.00 75.15 H new ATOM 0 HD22 LEU A 67 20.268 17.555 4.386 1.00 75.15 H new ATOM 0 HD23 LEU A 67 21.907 16.869 4.485 1.00 75.15 H new ATOM 1054 N HIS A 68 23.227 18.739 9.540 1.00 3.22 N ATOM 1055 CA HIS A 68 24.605 18.770 10.017 1.00 75.10 C ATOM 1056 C HIS A 68 24.753 17.955 11.298 1.00 74.34 C ATOM 1057 O HIS A 68 25.834 17.451 11.605 1.00 72.41 O ATOM 1058 CB HIS A 68 25.051 20.212 10.262 1.00 55.44 C ATOM 1059 CG HIS A 68 26.461 20.482 9.834 1.00 51.05 C ATOM 1060 ND1 HIS A 68 27.552 19.856 10.399 1.00 45.14 N ATOM 1061 CD2 HIS A 68 26.955 21.316 8.890 1.00 31.21 C ATOM 1062 CE1 HIS A 68 28.656 20.295 9.822 1.00 62.14 C ATOM 1063 NE2 HIS A 68 28.321 21.181 8.902 1.00 23.31 N ATOM 0 H HIS A 68 22.697 19.591 9.726 1.00 3.22 H new ATOM 0 HA HIS A 68 25.240 18.328 9.249 1.00 75.10 H new ATOM 0 HB2 HIS A 68 24.382 20.887 9.728 1.00 55.44 H new ATOM 0 HB3 HIS A 68 24.952 20.439 11.323 1.00 55.44 H new ATOM 0 HD2 HIS A 68 26.381 21.967 8.247 1.00 31.21 H new ATOM 0 HE1 HIS A 68 29.662 19.982 10.062 1.00 62.14 H new ATOM 0 HE2 HIS A 68 28.972 21.684 8.298 1.00 23.31 H new ATOM 1071 N LEU A 69 23.660 17.829 12.044 1.00 32.12 N ATOM 1072 CA LEU A 69 23.668 17.075 13.293 1.00 21.34 C ATOM 1073 C LEU A 69 24.245 15.679 13.083 1.00 14.53 C ATOM 1074 O LEU A 69 25.244 15.296 13.690 1.00 64.50 O ATOM 1075 CB LEU A 69 22.250 16.974 13.859 1.00 5.20 C ATOM 1076 CG LEU A 69 21.907 17.947 14.987 1.00 32.13 C ATOM 1077 CD1 LEU A 69 20.654 18.738 14.647 1.00 34.42 C ATOM 1078 CD2 LEU A 69 21.728 17.199 16.301 1.00 1.43 C ATOM 0 H LEU A 69 22.757 18.239 11.805 1.00 32.12 H new ATOM 0 HA LEU A 69 24.300 17.605 14.005 1.00 21.34 H new ATOM 0 HB2 LEU A 69 21.543 17.130 13.044 1.00 5.20 H new ATOM 0 HB3 LEU A 69 22.097 15.958 14.223 1.00 5.20 H new ATOM 0 HG LEU A 69 22.734 18.648 15.101 1.00 32.13 H new ATOM 0 HD11 LEU A 69 20.425 19.425 15.462 1.00 34.42 H new ATOM 0 HD12 LEU A 69 20.819 19.304 13.730 1.00 34.42 H new ATOM 0 HD13 LEU A 69 19.818 18.053 14.505 1.00 34.42 H new ATOM 0 HD21 LEU A 69 21.484 17.907 17.093 1.00 1.43 H new ATOM 0 HD22 LEU A 69 20.919 16.475 16.200 1.00 1.43 H new ATOM 0 HD23 LEU A 69 22.652 16.678 16.552 1.00 1.43 H new ATOM 1090 N PRO A 70 23.602 14.899 12.201 1.00 22.23 N ATOM 1091 CA PRO A 70 24.035 13.534 11.889 1.00 11.25 C ATOM 1092 C PRO A 70 25.345 13.506 11.108 1.00 14.43 C ATOM 1093 O PRO A 70 25.442 14.072 10.017 1.00 30.51 O ATOM 1094 CB PRO A 70 22.890 12.986 11.033 1.00 11.13 C ATOM 1095 CG PRO A 70 22.261 14.191 10.424 1.00 62.43 C ATOM 1096 CD PRO A 70 22.402 15.291 11.441 1.00 41.25 C ATOM 0 HA PRO A 70 24.229 12.951 12.790 1.00 11.25 H new ATOM 0 HB2 PRO A 70 23.260 12.303 10.268 1.00 11.13 H new ATOM 0 HB3 PRO A 70 22.175 12.429 11.638 1.00 11.13 H new ATOM 0 HG2 PRO A 70 22.754 14.458 9.489 1.00 62.43 H new ATOM 0 HG3 PRO A 70 21.212 14.008 10.190 1.00 62.43 H new ATOM 0 HD2 PRO A 70 22.527 16.264 10.966 1.00 41.25 H new ATOM 0 HD3 PRO A 70 21.524 15.360 12.083 1.00 41.25 H new ATOM 1232 N PRO A 79 19.671 10.209 16.924 1.00 50.11 N ATOM 1233 CA PRO A 79 18.207 10.171 16.969 1.00 23.23 C ATOM 1234 C PRO A 79 17.572 11.284 16.141 1.00 63.11 C ATOM 1235 O PRO A 79 17.784 12.467 16.409 1.00 4.24 O ATOM 1236 CB PRO A 79 17.893 10.364 18.455 1.00 33.10 C ATOM 1237 CG PRO A 79 19.069 11.097 18.999 1.00 44.32 C ATOM 1238 CD PRO A 79 20.258 10.615 18.212 1.00 73.02 C ATOM 0 HA PRO A 79 17.810 9.245 16.552 1.00 23.23 H new ATOM 0 HB2 PRO A 79 16.973 10.932 18.595 1.00 33.10 H new ATOM 0 HB3 PRO A 79 17.756 9.407 18.958 1.00 33.10 H new ATOM 0 HG2 PRO A 79 18.941 12.174 18.892 1.00 44.32 H new ATOM 0 HG3 PRO A 79 19.197 10.895 20.062 1.00 44.32 H new ATOM 0 HD2 PRO A 79 21.002 11.402 18.085 1.00 73.02 H new ATOM 0 HD3 PRO A 79 20.757 9.782 18.707 1.00 73.02 H new ATOM 1246 N TYR A 80 16.793 10.897 15.137 1.00 62.12 N ATOM 1247 CA TYR A 80 16.129 11.863 14.270 1.00 52.41 C ATOM 1248 C TYR A 80 14.650 11.524 14.109 1.00 32.20 C ATOM 1249 O TYR A 80 14.271 10.354 14.060 1.00 53.25 O ATOM 1250 CB TYR A 80 16.807 11.899 12.899 1.00 50.20 C ATOM 1251 CG TYR A 80 16.617 10.631 12.096 1.00 13.04 C ATOM 1252 CD1 TYR A 80 15.481 10.443 11.318 1.00 45.00 C ATOM 1253 CD2 TYR A 80 17.572 9.623 12.115 1.00 62.43 C ATOM 1254 CE1 TYR A 80 15.302 9.287 10.582 1.00 63.24 C ATOM 1255 CE2 TYR A 80 17.402 8.464 11.383 1.00 4.42 C ATOM 1256 CZ TYR A 80 16.266 8.301 10.618 1.00 73.42 C ATOM 1257 OH TYR A 80 16.093 7.148 9.888 1.00 71.24 O ATOM 0 H TYR A 80 16.606 9.922 14.904 1.00 62.12 H new ATOM 0 HA TYR A 80 16.210 12.846 14.734 1.00 52.41 H new ATOM 0 HB2 TYR A 80 16.414 12.742 12.330 1.00 50.20 H new ATOM 0 HB3 TYR A 80 17.874 12.077 13.035 1.00 50.20 H new ATOM 0 HD1 TYR A 80 14.725 11.214 11.288 1.00 45.00 H new ATOM 0 HD2 TYR A 80 18.463 9.747 12.712 1.00 62.43 H new ATOM 0 HE1 TYR A 80 14.413 9.156 9.983 1.00 63.24 H new ATOM 0 HE2 TYR A 80 18.154 7.690 11.410 1.00 4.42 H new ATOM 0 HH TYR A 80 16.946 6.669 9.827 1.00 71.24 H new ATOM 1267 N VAL A 81 13.818 12.557 14.028 1.00 5.51 N ATOM 1268 CA VAL A 81 12.381 12.372 13.870 1.00 75.54 C ATOM 1269 C VAL A 81 11.739 13.587 13.212 1.00 34.20 C ATOM 1270 O VAL A 81 12.030 14.728 13.571 1.00 45.23 O ATOM 1271 CB VAL A 81 11.697 12.114 15.226 1.00 71.11 C ATOM 1272 CG1 VAL A 81 11.973 13.259 16.189 1.00 65.34 C ATOM 1273 CG2 VAL A 81 10.201 11.914 15.038 1.00 74.40 C ATOM 0 H VAL A 81 14.115 13.532 14.069 1.00 5.51 H new ATOM 0 HA VAL A 81 12.242 11.501 13.229 1.00 75.54 H new ATOM 0 HB VAL A 81 12.111 11.202 15.655 1.00 71.11 H new ATOM 0 HG11 VAL A 81 11.482 13.060 17.142 1.00 65.34 H new ATOM 0 HG12 VAL A 81 13.048 13.351 16.347 1.00 65.34 H new ATOM 0 HG13 VAL A 81 11.587 14.188 15.770 1.00 65.34 H new ATOM 0 HG21 VAL A 81 9.734 11.733 16.006 1.00 74.40 H new ATOM 0 HG22 VAL A 81 9.768 12.807 14.588 1.00 74.40 H new ATOM 0 HG23 VAL A 81 10.027 11.058 14.386 1.00 74.40 H new ATOM 1283 N PHE A 82 10.861 13.336 12.247 1.00 35.00 N ATOM 1284 CA PHE A 82 10.176 14.409 11.537 1.00 21.13 C ATOM 1285 C PHE A 82 8.828 14.717 12.184 1.00 4.11 C ATOM 1286 O PHE A 82 8.193 13.839 12.768 1.00 71.21 O ATOM 1287 CB PHE A 82 9.975 14.032 10.068 1.00 15.31 C ATOM 1288 CG PHE A 82 11.249 14.011 9.274 1.00 62.04 C ATOM 1289 CD1 PHE A 82 11.745 15.172 8.704 1.00 64.15 C ATOM 1290 CD2 PHE A 82 11.952 12.828 9.097 1.00 23.45 C ATOM 1291 CE1 PHE A 82 12.918 15.157 7.973 1.00 42.14 C ATOM 1292 CE2 PHE A 82 13.126 12.808 8.368 1.00 14.33 C ATOM 1293 CZ PHE A 82 13.608 13.972 7.804 1.00 24.13 C ATOM 0 H PHE A 82 10.607 12.398 11.939 1.00 35.00 H new ATOM 0 HA PHE A 82 10.799 15.302 11.593 1.00 21.13 H new ATOM 0 HB2 PHE A 82 9.507 13.049 10.014 1.00 15.31 H new ATOM 0 HB3 PHE A 82 9.283 14.740 9.611 1.00 15.31 H new ATOM 0 HD1 PHE A 82 11.208 16.100 8.832 1.00 64.15 H new ATOM 0 HD2 PHE A 82 11.578 11.914 9.533 1.00 23.45 H new ATOM 0 HE1 PHE A 82 13.294 16.070 7.535 1.00 42.14 H new ATOM 0 HE2 PHE A 82 13.666 11.882 8.240 1.00 14.33 H new ATOM 0 HZ PHE A 82 14.523 13.956 7.231 1.00 24.13 H new ATOM 1303 N VAL A 83 8.399 15.970 12.076 1.00 13.42 N ATOM 1304 CA VAL A 83 7.127 16.394 12.649 1.00 62.31 C ATOM 1305 C VAL A 83 6.304 17.183 11.636 1.00 61.32 C ATOM 1306 O VAL A 83 6.832 17.671 10.637 1.00 34.32 O ATOM 1307 CB VAL A 83 7.339 17.259 13.907 1.00 41.21 C ATOM 1308 CG1 VAL A 83 7.699 16.386 15.099 1.00 24.32 C ATOM 1309 CG2 VAL A 83 8.415 18.305 13.658 1.00 11.34 C ATOM 0 H VAL A 83 8.913 16.709 11.597 1.00 13.42 H new ATOM 0 HA VAL A 83 6.587 15.489 12.926 1.00 62.31 H new ATOM 0 HB VAL A 83 6.407 17.776 14.134 1.00 41.21 H new ATOM 0 HG11 VAL A 83 7.845 17.013 15.978 1.00 24.32 H new ATOM 0 HG12 VAL A 83 6.892 15.678 15.288 1.00 24.32 H new ATOM 0 HG13 VAL A 83 8.618 15.840 14.886 1.00 24.32 H new ATOM 0 HG21 VAL A 83 8.552 18.907 14.556 1.00 11.34 H new ATOM 0 HG22 VAL A 83 9.353 17.810 13.407 1.00 11.34 H new ATOM 0 HG23 VAL A 83 8.112 18.949 12.832 1.00 11.34 H new ATOM 1319 N ARG A 84 5.008 17.306 11.903 1.00 53.25 N ATOM 1320 CA ARG A 84 4.110 18.035 11.016 1.00 41.55 C ATOM 1321 C ARG A 84 3.720 19.380 11.622 1.00 54.24 C ATOM 1322 O ARG A 84 2.538 19.667 11.809 1.00 20.51 O ATOM 1323 CB ARG A 84 2.855 17.207 10.732 1.00 5.13 C ATOM 1324 CG ARG A 84 3.088 16.060 9.761 1.00 21.23 C ATOM 1325 CD ARG A 84 2.003 16.001 8.698 1.00 10.01 C ATOM 1326 NE ARG A 84 1.936 17.231 7.915 1.00 4.54 N ATOM 1327 CZ ARG A 84 0.944 17.519 7.081 1.00 15.12 C ATOM 1328 NH1 ARG A 84 -0.063 16.669 6.925 1.00 0.55 N ATOM 1329 NH2 ARG A 84 0.954 18.659 6.402 1.00 41.00 N ATOM 0 H ARG A 84 4.556 16.910 12.727 1.00 53.25 H new ATOM 0 HA ARG A 84 4.635 18.218 10.079 1.00 41.55 H new ATOM 0 HB2 ARG A 84 2.475 16.805 11.671 1.00 5.13 H new ATOM 0 HB3 ARG A 84 2.082 17.861 10.329 1.00 5.13 H new ATOM 0 HG2 ARG A 84 4.061 16.178 9.283 1.00 21.23 H new ATOM 0 HG3 ARG A 84 3.114 15.118 10.309 1.00 21.23 H new ATOM 0 HD2 ARG A 84 2.192 15.158 8.033 1.00 10.01 H new ATOM 0 HD3 ARG A 84 1.039 15.821 9.174 1.00 10.01 H new ATOM 0 HE ARG A 84 2.693 17.907 8.014 1.00 4.54 H new ATOM 0 HH11 ARG A 84 -0.076 15.792 7.446 1.00 0.55 H new ATOM 0 HH12 ARG A 84 -0.824 16.892 6.284 1.00 0.55 H new ATOM 0 HH21 ARG A 84 1.725 19.316 6.520 1.00 41.00 H new ATOM 0 HH22 ARG A 84 0.191 18.878 5.762 1.00 41.00 H new ATOM 1343 N SER A 85 4.721 20.199 11.926 1.00 41.03 N ATOM 1344 CA SER A 85 4.483 21.511 12.515 1.00 44.22 C ATOM 1345 C SER A 85 3.871 21.379 13.906 1.00 13.30 C ATOM 1346 O SER A 85 2.694 21.047 14.050 1.00 32.11 O ATOM 1347 CB SER A 85 3.562 22.337 11.616 1.00 30.31 C ATOM 1348 OG SER A 85 4.116 23.615 11.356 1.00 31.14 O ATOM 0 H SER A 85 5.705 19.977 11.774 1.00 41.03 H new ATOM 0 HA SER A 85 5.442 22.021 12.606 1.00 44.22 H new ATOM 0 HB2 SER A 85 3.398 21.810 10.676 1.00 30.31 H new ATOM 0 HB3 SER A 85 2.588 22.449 12.093 1.00 30.31 H new ATOM 0 HG SER A 85 3.509 24.123 10.778 1.00 31.14 H new ATOM 1354 N LYS A 86 4.678 21.641 14.928 1.00 22.43 N ATOM 1355 CA LYS A 86 4.218 21.553 16.309 1.00 20.03 C ATOM 1356 C LYS A 86 4.194 22.932 16.963 1.00 60.15 C ATOM 1357 O LYS A 86 5.227 23.439 17.397 1.00 63.44 O ATOM 1358 CB LYS A 86 5.120 20.612 17.110 1.00 22.23 C ATOM 1359 CG LYS A 86 4.461 20.057 18.362 1.00 2.12 C ATOM 1360 CD LYS A 86 4.660 18.556 18.477 1.00 54.42 C ATOM 1361 CE LYS A 86 4.465 18.076 19.907 1.00 45.23 C ATOM 1362 NZ LYS A 86 3.163 17.377 20.086 1.00 3.01 N ATOM 0 H LYS A 86 5.655 21.916 14.826 1.00 22.43 H new ATOM 0 HA LYS A 86 3.203 21.155 16.303 1.00 20.03 H new ATOM 0 HB2 LYS A 86 5.424 19.783 16.471 1.00 22.23 H new ATOM 0 HB3 LYS A 86 6.027 21.146 17.393 1.00 22.23 H new ATOM 0 HG2 LYS A 86 4.877 20.549 19.242 1.00 2.12 H new ATOM 0 HG3 LYS A 86 3.395 20.283 18.344 1.00 2.12 H new ATOM 0 HD2 LYS A 86 3.957 18.043 17.821 1.00 54.42 H new ATOM 0 HD3 LYS A 86 5.662 18.294 18.137 1.00 54.42 H new ATOM 0 HE2 LYS A 86 5.278 17.403 20.178 1.00 45.23 H new ATOM 0 HE3 LYS A 86 4.516 18.927 20.586 1.00 45.23 H new ATOM 0 HZ1 LYS A 86 3.208 16.770 20.929 1.00 3.01 H new ATOM 0 HZ2 LYS A 86 2.405 18.079 20.205 1.00 3.01 H new ATOM 0 HZ3 LYS A 86 2.965 16.792 19.249 1.00 3.01 H new ATOM 1376 N GLN A 87 3.009 23.529 17.030 1.00 23.44 N ATOM 1377 CA GLN A 87 2.853 24.848 17.632 1.00 74.33 C ATOM 1378 C GLN A 87 3.079 24.789 19.140 1.00 32.25 C ATOM 1379 O GLN A 87 3.565 25.745 19.742 1.00 21.31 O ATOM 1380 CB GLN A 87 1.459 25.405 17.336 1.00 44.20 C ATOM 1381 CG GLN A 87 1.473 26.634 16.441 1.00 1.03 C ATOM 1382 CD GLN A 87 0.080 27.086 16.048 1.00 73.41 C ATOM 1383 OE1 GLN A 87 -0.708 27.512 16.893 1.00 61.24 O ATOM 1384 NE2 GLN A 87 -0.230 26.995 14.761 1.00 14.24 N ATOM 0 H GLN A 87 2.144 23.121 16.676 1.00 23.44 H new ATOM 0 HA GLN A 87 3.602 25.509 17.196 1.00 74.33 H new ATOM 0 HB2 GLN A 87 0.859 24.628 16.863 1.00 44.20 H new ATOM 0 HB3 GLN A 87 0.970 25.656 18.277 1.00 44.20 H new ATOM 0 HG2 GLN A 87 1.983 27.448 16.956 1.00 1.03 H new ATOM 0 HG3 GLN A 87 2.048 26.417 15.541 1.00 1.03 H new ATOM 0 HE21 GLN A 87 0.455 26.636 14.096 1.00 14.24 H new ATOM 0 HE22 GLN A 87 -1.153 27.284 14.437 1.00 14.24 H new ATOM 1393 N ALA A 88 2.723 23.659 19.742 1.00 71.14 N ATOM 1394 CA ALA A 88 2.888 23.475 21.179 1.00 44.24 C ATOM 1395 C ALA A 88 4.359 23.295 21.543 1.00 72.33 C ATOM 1396 O ALA A 88 4.795 23.697 22.622 1.00 24.42 O ATOM 1397 CB ALA A 88 2.075 22.280 21.655 1.00 23.04 C ATOM 0 H ALA A 88 2.319 22.858 19.257 1.00 71.14 H new ATOM 0 HA ALA A 88 2.523 24.372 21.680 1.00 44.24 H new ATOM 0 HB1 ALA A 88 2.208 22.154 22.730 1.00 23.04 H new ATOM 0 HB2 ALA A 88 1.020 22.447 21.437 1.00 23.04 H new ATOM 0 HB3 ALA A 88 2.414 21.381 21.140 1.00 23.04 H new ATOM 1403 N LEU A 89 5.118 22.688 20.637 1.00 52.31 N ATOM 1404 CA LEU A 89 6.539 22.454 20.863 1.00 63.25 C ATOM 1405 C LEU A 89 7.253 23.751 21.234 1.00 3.24 C ATOM 1406 O LEU A 89 8.261 23.738 21.939 1.00 30.43 O ATOM 1407 CB LEU A 89 7.181 21.844 19.616 1.00 23.42 C ATOM 1408 CG LEU A 89 8.710 21.845 19.578 1.00 65.20 C ATOM 1409 CD1 LEU A 89 9.274 21.066 20.756 1.00 11.45 C ATOM 1410 CD2 LEU A 89 9.211 21.267 18.263 1.00 53.52 C ATOM 0 H LEU A 89 4.772 22.349 19.739 1.00 52.31 H new ATOM 0 HA LEU A 89 6.639 21.756 21.694 1.00 63.25 H new ATOM 0 HB2 LEU A 89 6.836 20.814 19.521 1.00 23.42 H new ATOM 0 HB3 LEU A 89 6.816 22.384 18.743 1.00 23.42 H new ATOM 0 HG LEU A 89 9.056 22.876 19.653 1.00 65.20 H new ATOM 0 HD11 LEU A 89 10.363 21.078 20.712 1.00 11.45 H new ATOM 0 HD12 LEU A 89 8.943 21.525 21.688 1.00 11.45 H new ATOM 0 HD13 LEU A 89 8.920 20.036 20.714 1.00 11.45 H new ATOM 0 HD21 LEU A 89 10.301 21.276 18.254 1.00 53.52 H new ATOM 0 HD22 LEU A 89 8.855 20.242 18.157 1.00 53.52 H new ATOM 0 HD23 LEU A 89 8.836 21.869 17.435 1.00 53.52 H new ATOM 1422 N GLY A 90 6.721 24.871 20.753 1.00 51.41 N ATOM 1423 CA GLY A 90 7.319 26.161 21.045 1.00 13.42 C ATOM 1424 C GLY A 90 6.961 26.665 22.428 1.00 63.34 C ATOM 1425 O GLY A 90 7.841 27.009 23.217 1.00 72.14 O ATOM 0 H GLY A 90 5.887 24.908 20.167 1.00 51.41 H new ATOM 0 HA2 GLY A 90 8.403 26.084 20.959 1.00 13.42 H new ATOM 0 HA3 GLY A 90 6.991 26.887 20.301 1.00 13.42 H new ATOM 1429 N ARG A 91 5.666 26.711 22.723 1.00 62.31 N ATOM 1430 CA ARG A 91 5.195 27.180 24.021 1.00 22.53 C ATOM 1431 C ARG A 91 5.691 26.271 25.141 1.00 45.22 C ATOM 1432 O ARG A 91 5.857 26.707 26.280 1.00 35.51 O ATOM 1433 CB ARG A 91 3.666 27.242 24.040 1.00 24.14 C ATOM 1434 CG ARG A 91 3.002 25.879 24.136 1.00 43.55 C ATOM 1435 CD ARG A 91 1.488 25.999 24.194 1.00 20.14 C ATOM 1436 NE ARG A 91 0.911 26.286 22.883 1.00 74.12 N ATOM 1437 CZ ARG A 91 -0.392 26.237 22.627 1.00 43.04 C ATOM 1438 NH1 ARG A 91 -1.248 25.915 23.587 1.00 61.52 N ATOM 1439 NH2 ARG A 91 -0.841 26.511 21.409 1.00 5.31 N ATOM 0 H ARG A 91 4.925 26.430 22.081 1.00 62.31 H new ATOM 0 HA ARG A 91 5.595 28.181 24.185 1.00 22.53 H new ATOM 0 HB2 ARG A 91 3.346 27.853 24.884 1.00 24.14 H new ATOM 0 HB3 ARG A 91 3.320 27.742 23.136 1.00 24.14 H new ATOM 0 HG2 ARG A 91 3.287 25.273 23.276 1.00 43.55 H new ATOM 0 HG3 ARG A 91 3.361 25.360 25.025 1.00 43.55 H new ATOM 0 HD2 ARG A 91 1.065 25.072 24.581 1.00 20.14 H new ATOM 0 HD3 ARG A 91 1.214 26.790 24.892 1.00 20.14 H new ATOM 0 HE ARG A 91 1.543 26.538 22.123 1.00 74.12 H new ATOM 0 HH11 ARG A 91 -0.907 25.704 24.525 1.00 61.52 H new ATOM 0 HH12 ARG A 91 -2.248 25.878 23.388 1.00 61.52 H new ATOM 0 HH21 ARG A 91 -0.186 26.760 20.668 1.00 5.31 H new ATOM 0 HH22 ARG A 91 -1.841 26.473 21.214 1.00 5.31 H new ATOM 1453 N ALA A 92 5.927 25.006 24.809 1.00 13.35 N ATOM 1454 CA ALA A 92 6.405 24.036 25.786 1.00 30.31 C ATOM 1455 C ALA A 92 7.805 24.394 26.275 1.00 34.33 C ATOM 1456 O ALA A 92 8.204 24.015 27.377 1.00 35.24 O ATOM 1457 CB ALA A 92 6.395 22.637 25.189 1.00 71.25 C ATOM 0 H ALA A 92 5.795 24.629 23.870 1.00 13.35 H new ATOM 0 HA ALA A 92 5.732 24.058 26.643 1.00 30.31 H new ATOM 0 HB1 ALA A 92 6.754 21.923 25.930 1.00 71.25 H new ATOM 0 HB2 ALA A 92 5.379 22.374 24.895 1.00 71.25 H new ATOM 0 HB3 ALA A 92 7.045 22.610 24.314 1.00 71.25 H new ATOM 1463 N CYS A 93 8.546 25.125 25.449 1.00 75.15 N ATOM 1464 CA CYS A 93 9.903 25.532 25.797 1.00 75.12 C ATOM 1465 C CYS A 93 9.923 26.966 26.315 1.00 23.20 C ATOM 1466 O CYS A 93 10.694 27.302 27.212 1.00 63.23 O ATOM 1467 CB CYS A 93 10.823 25.402 24.583 1.00 23.21 C ATOM 1468 SG CYS A 93 11.178 23.695 24.105 1.00 12.45 S ATOM 0 H CYS A 93 8.230 25.448 24.534 1.00 75.15 H new ATOM 0 HA CYS A 93 10.263 24.874 26.588 1.00 75.12 H new ATOM 0 HB2 CYS A 93 10.366 25.917 23.738 1.00 23.21 H new ATOM 0 HB3 CYS A 93 11.763 25.911 24.797 1.00 23.21 H new ATOM 0 HG CYS A 93 11.962 23.689 23.068 1.00 12.45 H new ATOM 1474 N GLY A 94 9.069 27.809 25.742 1.00 11.12 N ATOM 1475 CA GLY A 94 9.007 29.198 26.158 1.00 22.43 C ATOM 1476 C GLY A 94 8.996 30.155 24.982 1.00 32.03 C ATOM 1477 O GLY A 94 9.662 31.191 25.009 1.00 13.22 O ATOM 0 H GLY A 94 8.420 27.555 24.998 1.00 11.12 H new ATOM 0 HA2 GLY A 94 8.111 29.355 26.758 1.00 22.43 H new ATOM 0 HA3 GLY A 94 9.862 29.421 26.796 1.00 22.43 H new ATOM 1481 N VAL A 95 8.238 29.809 23.946 1.00 73.35 N ATOM 1482 CA VAL A 95 8.143 30.645 22.755 1.00 50.24 C ATOM 1483 C VAL A 95 6.788 30.483 22.076 1.00 72.35 C ATOM 1484 O VAL A 95 6.202 29.400 22.088 1.00 32.32 O ATOM 1485 CB VAL A 95 9.255 30.308 21.744 1.00 10.33 C ATOM 1486 CG1 VAL A 95 10.625 30.592 22.341 1.00 71.53 C ATOM 1487 CG2 VAL A 95 9.148 28.857 21.299 1.00 10.22 C ATOM 0 H VAL A 95 7.681 28.955 23.908 1.00 73.35 H new ATOM 0 HA VAL A 95 8.260 31.678 23.083 1.00 50.24 H new ATOM 0 HB VAL A 95 9.129 30.943 20.867 1.00 10.33 H new ATOM 0 HG11 VAL A 95 11.397 30.348 21.612 1.00 71.53 H new ATOM 0 HG12 VAL A 95 10.695 31.647 22.604 1.00 71.53 H new ATOM 0 HG13 VAL A 95 10.765 29.985 23.235 1.00 71.53 H new ATOM 0 HG21 VAL A 95 9.941 28.636 20.585 1.00 10.22 H new ATOM 0 HG22 VAL A 95 9.247 28.203 22.165 1.00 10.22 H new ATOM 0 HG23 VAL A 95 8.179 28.691 20.828 1.00 10.22 H new ATOM 1497 N SER A 96 6.295 31.566 21.484 1.00 23.20 N ATOM 1498 CA SER A 96 5.006 31.546 20.803 1.00 55.13 C ATOM 1499 C SER A 96 5.101 30.783 19.485 1.00 12.14 C ATOM 1500 O SER A 96 4.170 30.078 19.095 1.00 60.22 O ATOM 1501 CB SER A 96 4.519 32.973 20.546 1.00 52.01 C ATOM 1502 OG SER A 96 4.880 33.409 19.246 1.00 73.14 O ATOM 0 H SER A 96 6.769 32.469 21.462 1.00 23.20 H new ATOM 0 HA SER A 96 4.290 31.036 21.447 1.00 55.13 H new ATOM 0 HB2 SER A 96 3.436 33.017 20.660 1.00 52.01 H new ATOM 0 HB3 SER A 96 4.945 33.646 21.290 1.00 52.01 H new ATOM 0 HG SER A 96 4.556 34.323 19.106 1.00 73.14 H new ATOM 1508 N ARG A 97 6.232 30.930 18.804 1.00 3.52 N ATOM 1509 CA ARG A 97 6.450 30.258 17.529 1.00 14.50 C ATOM 1510 C ARG A 97 6.997 28.850 17.743 1.00 74.23 C ATOM 1511 O ARG A 97 7.531 28.520 18.802 1.00 74.44 O ATOM 1512 CB ARG A 97 7.415 31.065 16.659 1.00 20.43 C ATOM 1513 CG ARG A 97 6.719 31.987 15.671 1.00 65.40 C ATOM 1514 CD ARG A 97 7.694 32.537 14.642 1.00 3.03 C ATOM 1515 NE ARG A 97 8.091 33.910 14.943 1.00 43.22 N ATOM 1516 CZ ARG A 97 8.815 34.663 14.121 1.00 32.10 C ATOM 1517 NH1 ARG A 97 9.216 34.179 12.955 1.00 63.14 N ATOM 1518 NH2 ARG A 97 9.136 35.903 14.467 1.00 4.15 N ATOM 0 H ARG A 97 7.012 31.509 19.114 1.00 3.52 H new ATOM 0 HA ARG A 97 5.490 30.183 17.019 1.00 14.50 H new ATOM 0 HB2 ARG A 97 8.062 31.660 17.304 1.00 20.43 H new ATOM 0 HB3 ARG A 97 8.058 30.377 16.110 1.00 20.43 H new ATOM 0 HG2 ARG A 97 5.921 31.444 15.164 1.00 65.40 H new ATOM 0 HG3 ARG A 97 6.251 32.812 16.208 1.00 65.40 H new ATOM 0 HD2 ARG A 97 8.580 31.903 14.607 1.00 3.03 H new ATOM 0 HD3 ARG A 97 7.237 32.500 13.653 1.00 3.03 H new ATOM 0 HE ARG A 97 7.797 34.313 15.833 1.00 43.22 H new ATOM 0 HH11 ARG A 97 8.969 33.227 12.686 1.00 63.14 H new ATOM 0 HH12 ARG A 97 9.771 34.759 12.326 1.00 63.14 H new ATOM 0 HH21 ARG A 97 8.827 36.278 15.364 1.00 4.15 H new ATOM 0 HH22 ARG A 97 9.692 36.481 13.836 1.00 4.15 H new ATOM 1532 N PRO A 98 6.862 27.999 16.715 1.00 42.32 N ATOM 1533 CA PRO A 98 7.338 26.613 16.767 1.00 14.31 C ATOM 1534 C PRO A 98 8.859 26.522 16.770 1.00 70.23 C ATOM 1535 O PRO A 98 9.550 27.498 16.481 1.00 44.45 O ATOM 1536 CB PRO A 98 6.768 25.994 15.488 1.00 30.33 C ATOM 1537 CG PRO A 98 6.588 27.144 14.558 1.00 32.15 C ATOM 1538 CD PRO A 98 6.236 28.324 15.423 1.00 5.54 C ATOM 0 HA PRO A 98 7.022 26.108 17.680 1.00 14.31 H new ATOM 0 HB2 PRO A 98 7.447 25.250 15.071 1.00 30.33 H new ATOM 0 HB3 PRO A 98 5.822 25.489 15.680 1.00 30.33 H new ATOM 0 HG2 PRO A 98 7.499 27.334 13.991 1.00 32.15 H new ATOM 0 HG3 PRO A 98 5.799 26.941 13.834 1.00 32.15 H new ATOM 0 HD2 PRO A 98 6.626 29.255 15.011 1.00 5.54 H new ATOM 0 HD3 PRO A 98 5.157 28.445 15.518 1.00 5.54 H new ATOM 1546 N VAL A 99 9.376 25.342 17.099 1.00 63.40 N ATOM 1547 CA VAL A 99 10.817 25.123 17.138 1.00 53.23 C ATOM 1548 C VAL A 99 11.296 24.392 15.889 1.00 0.31 C ATOM 1549 O VAL A 99 10.650 23.455 15.420 1.00 45.21 O ATOM 1550 CB VAL A 99 11.228 24.313 18.382 1.00 40.13 C ATOM 1551 CG1 VAL A 99 12.740 24.163 18.447 1.00 22.43 C ATOM 1552 CG2 VAL A 99 10.695 24.971 19.646 1.00 43.21 C ATOM 0 H VAL A 99 8.818 24.523 17.342 1.00 63.40 H new ATOM 0 HA VAL A 99 11.285 26.106 17.182 1.00 53.23 H new ATOM 0 HB VAL A 99 10.791 23.317 18.306 1.00 40.13 H new ATOM 0 HG11 VAL A 99 13.011 23.588 19.333 1.00 22.43 H new ATOM 0 HG12 VAL A 99 13.093 23.644 17.556 1.00 22.43 H new ATOM 0 HG13 VAL A 99 13.202 25.149 18.500 1.00 22.43 H new ATOM 0 HG21 VAL A 99 10.995 24.385 20.515 1.00 43.21 H new ATOM 0 HG22 VAL A 99 11.101 25.979 19.730 1.00 43.21 H new ATOM 0 HG23 VAL A 99 9.607 25.020 19.599 1.00 43.21 H new ATOM 1562 N ILE A 100 12.433 24.827 15.355 1.00 12.33 N ATOM 1563 CA ILE A 100 12.999 24.213 14.161 1.00 44.31 C ATOM 1564 C ILE A 100 13.856 23.004 14.518 1.00 54.42 C ATOM 1565 O ILE A 100 13.978 22.063 13.733 1.00 33.52 O ATOM 1566 CB ILE A 100 13.854 25.216 13.364 1.00 10.25 C ATOM 1567 CG1 ILE A 100 13.089 26.527 13.164 1.00 75.54 C ATOM 1568 CG2 ILE A 100 14.254 24.622 12.021 1.00 60.32 C ATOM 1569 CD1 ILE A 100 13.891 27.592 12.451 1.00 60.31 C ATOM 0 H ILE A 100 12.980 25.602 15.731 1.00 12.33 H new ATOM 0 HA ILE A 100 12.160 23.891 13.544 1.00 44.31 H new ATOM 0 HB ILE A 100 14.760 25.428 13.931 1.00 10.25 H new ATOM 0 HG12 ILE A 100 12.181 26.325 12.595 1.00 75.54 H new ATOM 0 HG13 ILE A 100 12.777 26.908 14.136 1.00 75.54 H new ATOM 0 HG21 ILE A 100 14.858 25.343 11.470 1.00 60.32 H new ATOM 0 HG22 ILE A 100 14.833 23.713 12.183 1.00 60.32 H new ATOM 0 HG23 ILE A 100 13.358 24.384 11.447 1.00 60.32 H new ATOM 0 HD11 ILE A 100 13.286 28.493 12.344 1.00 60.31 H new ATOM 0 HD12 ILE A 100 14.786 27.822 13.030 1.00 60.31 H new ATOM 0 HD13 ILE A 100 14.180 27.230 11.464 1.00 60.31 H new ATOM 1581 N ALA A 101 14.447 23.035 15.707 1.00 71.43 N ATOM 1582 CA ALA A 101 15.290 21.940 16.171 1.00 72.32 C ATOM 1583 C ALA A 101 15.547 22.041 17.671 1.00 34.00 C ATOM 1584 O ALA A 101 16.155 23.002 18.143 1.00 2.42 O ATOM 1585 CB ALA A 101 16.605 21.927 15.408 1.00 44.13 C ATOM 0 H ALA A 101 14.358 23.807 16.367 1.00 71.43 H new ATOM 0 HA ALA A 101 14.764 21.004 15.982 1.00 72.32 H new ATOM 0 HB1 ALA A 101 17.225 21.104 15.765 1.00 44.13 H new ATOM 0 HB2 ALA A 101 16.407 21.797 14.344 1.00 44.13 H new ATOM 0 HB3 ALA A 101 17.127 22.870 15.567 1.00 44.13 H new ATOM 1591 N CYS A 102 15.079 21.045 18.415 1.00 21.10 N ATOM 1592 CA CYS A 102 15.258 21.023 19.862 1.00 60.20 C ATOM 1593 C CYS A 102 15.885 19.708 20.314 1.00 13.34 C ATOM 1594 O CYS A 102 15.709 18.672 19.671 1.00 63.43 O ATOM 1595 CB CYS A 102 13.915 21.229 20.565 1.00 31.41 C ATOM 1596 SG CYS A 102 12.618 20.091 20.028 1.00 15.43 S ATOM 0 H CYS A 102 14.573 20.243 18.040 1.00 21.10 H new ATOM 0 HA CYS A 102 15.931 21.837 20.132 1.00 60.20 H new ATOM 0 HB2 CYS A 102 14.059 21.118 21.640 1.00 31.41 H new ATOM 0 HB3 CYS A 102 13.580 22.252 20.393 1.00 31.41 H new ATOM 0 HG CYS A 102 12.060 19.547 21.068 1.00 15.43 H new ATOM 1602 N SER A 103 16.618 19.757 21.421 1.00 72.21 N ATOM 1603 CA SER A 103 17.276 18.570 21.955 1.00 22.35 C ATOM 1604 C SER A 103 16.662 18.164 23.292 1.00 43.21 C ATOM 1605 O SER A 103 16.401 19.007 24.150 1.00 53.32 O ATOM 1606 CB SER A 103 18.775 18.826 22.127 1.00 4.51 C ATOM 1607 OG SER A 103 19.277 18.167 23.276 1.00 70.43 O ATOM 0 H SER A 103 16.771 20.606 21.966 1.00 72.21 H new ATOM 0 HA SER A 103 17.132 17.755 21.246 1.00 22.35 H new ATOM 0 HB2 SER A 103 19.310 18.480 21.243 1.00 4.51 H new ATOM 0 HB3 SER A 103 18.957 19.898 22.210 1.00 4.51 H new ATOM 0 HG SER A 103 20.101 17.689 23.045 1.00 70.43 H new ATOM 1613 N VAL A 104 16.435 16.865 23.460 1.00 51.15 N ATOM 1614 CA VAL A 104 15.853 16.345 24.691 1.00 72.51 C ATOM 1615 C VAL A 104 16.894 15.598 25.519 1.00 13.43 C ATOM 1616 O VAL A 104 17.583 14.710 25.014 1.00 71.31 O ATOM 1617 CB VAL A 104 14.671 15.401 24.399 1.00 51.42 C ATOM 1618 CG1 VAL A 104 14.101 14.842 25.693 1.00 1.13 C ATOM 1619 CG2 VAL A 104 13.597 16.124 23.601 1.00 72.23 C ATOM 0 H VAL A 104 16.645 16.154 22.759 1.00 51.15 H new ATOM 0 HA VAL A 104 15.491 17.203 25.257 1.00 72.51 H new ATOM 0 HB VAL A 104 15.035 14.566 23.801 1.00 51.42 H new ATOM 0 HG11 VAL A 104 13.267 14.178 25.466 1.00 1.13 H new ATOM 0 HG12 VAL A 104 14.875 14.285 26.221 1.00 1.13 H new ATOM 0 HG13 VAL A 104 13.751 15.662 26.321 1.00 1.13 H new ATOM 0 HG21 VAL A 104 12.770 15.442 23.404 1.00 72.23 H new ATOM 0 HG22 VAL A 104 13.234 16.980 24.171 1.00 72.23 H new ATOM 0 HG23 VAL A 104 14.016 16.469 22.656 1.00 72.23 H new ATOM 1629 N THR A 105 17.002 15.961 26.792 1.00 74.21 N ATOM 1630 CA THR A 105 17.959 15.326 27.690 1.00 33.32 C ATOM 1631 C THR A 105 17.251 14.443 28.711 1.00 31.21 C ATOM 1632 O THR A 105 16.030 14.505 28.859 1.00 73.41 O ATOM 1633 CB THR A 105 18.810 16.372 28.435 1.00 12.33 C ATOM 1634 OG1 THR A 105 18.016 17.036 29.423 1.00 72.43 O ATOM 1635 CG2 THR A 105 19.380 17.395 27.464 1.00 51.20 C ATOM 0 H THR A 105 16.438 16.692 27.226 1.00 74.21 H new ATOM 0 HA THR A 105 18.613 14.711 27.072 1.00 33.32 H new ATOM 0 HB THR A 105 19.637 15.855 28.922 1.00 12.33 H new ATOM 0 HG1 THR A 105 18.565 17.698 29.893 1.00 72.43 H new ATOM 0 HG21 THR A 105 19.977 18.124 28.012 1.00 51.20 H new ATOM 0 HG22 THR A 105 20.008 16.890 26.730 1.00 51.20 H new ATOM 0 HG23 THR A 105 18.564 17.906 26.953 1.00 51.20 H new ATOM 1643 N ILE A 106 18.025 13.623 29.415 1.00 13.11 N ATOM 1644 CA ILE A 106 17.471 12.729 30.423 1.00 62.44 C ATOM 1645 C ILE A 106 17.976 13.093 31.816 1.00 50.24 C ATOM 1646 O ILE A 106 19.079 13.617 31.972 1.00 74.44 O ATOM 1647 CB ILE A 106 17.826 11.259 30.129 1.00 65.21 C ATOM 1648 CG1 ILE A 106 17.046 10.327 31.058 1.00 20.32 C ATOM 1649 CG2 ILE A 106 19.323 11.035 30.281 1.00 45.03 C ATOM 1650 CD1 ILE A 106 17.150 8.867 30.677 1.00 5.41 C ATOM 0 H ILE A 106 19.037 13.560 29.305 1.00 13.11 H new ATOM 0 HA ILE A 106 16.388 12.846 30.388 1.00 62.44 H new ATOM 0 HB ILE A 106 17.547 11.032 29.100 1.00 65.21 H new ATOM 0 HG12 ILE A 106 17.411 10.455 32.077 1.00 20.32 H new ATOM 0 HG13 ILE A 106 15.996 10.621 31.056 1.00 20.32 H new ATOM 0 HG21 ILE A 106 19.558 9.992 30.070 1.00 45.03 H new ATOM 0 HG22 ILE A 106 19.860 11.676 29.582 1.00 45.03 H new ATOM 0 HG23 ILE A 106 19.625 11.276 31.300 1.00 45.03 H new ATOM 0 HD11 ILE A 106 16.573 8.266 31.379 1.00 5.41 H new ATOM 0 HD12 ILE A 106 16.758 8.725 29.670 1.00 5.41 H new ATOM 0 HD13 ILE A 106 18.194 8.557 30.707 1.00 5.41 H new ATOM 1662 N LYS A 107 17.161 12.809 32.827 1.00 64.35 N ATOM 1663 CA LYS A 107 17.524 13.102 34.208 1.00 21.34 C ATOM 1664 C LYS A 107 17.811 11.819 34.981 1.00 10.52 C ATOM 1665 O LYS A 107 16.908 11.022 35.234 1.00 3.45 O ATOM 1666 CB LYS A 107 16.403 13.885 34.897 1.00 0.13 C ATOM 1667 CG LYS A 107 16.793 14.437 36.257 1.00 50.20 C ATOM 1668 CD LYS A 107 17.095 15.924 36.190 1.00 11.42 C ATOM 1669 CE LYS A 107 18.583 16.184 36.010 1.00 55.13 C ATOM 1670 NZ LYS A 107 18.886 17.639 35.926 1.00 74.14 N ATOM 0 H LYS A 107 16.244 12.376 32.715 1.00 64.35 H new ATOM 0 HA LYS A 107 18.430 13.708 34.197 1.00 21.34 H new ATOM 0 HB2 LYS A 107 16.099 14.710 34.253 1.00 0.13 H new ATOM 0 HB3 LYS A 107 15.536 13.235 35.013 1.00 0.13 H new ATOM 0 HG2 LYS A 107 15.985 14.261 36.967 1.00 50.20 H new ATOM 0 HG3 LYS A 107 17.667 13.904 36.630 1.00 50.20 H new ATOM 0 HD2 LYS A 107 16.544 16.371 35.363 1.00 11.42 H new ATOM 0 HD3 LYS A 107 16.748 16.408 37.103 1.00 11.42 H new ATOM 0 HE2 LYS A 107 19.131 15.747 36.844 1.00 55.13 H new ATOM 0 HE3 LYS A 107 18.931 15.688 35.104 1.00 55.13 H new ATOM 0 HZ1 LYS A 107 19.910 17.774 35.804 1.00 74.14 H new ATOM 0 HZ2 LYS A 107 18.383 18.052 35.115 1.00 74.14 H new ATOM 0 HZ3 LYS A 107 18.577 18.109 36.801 1.00 74.14 H new ATOM 1684 N GLU A 108 19.072 11.626 35.352 1.00 23.52 N ATOM 1685 CA GLU A 108 19.476 10.439 36.096 1.00 50.32 C ATOM 1686 C GLU A 108 18.662 10.297 37.379 1.00 13.04 C ATOM 1687 O GLU A 108 18.364 11.284 38.050 1.00 64.23 O ATOM 1688 CB GLU A 108 20.967 10.502 36.431 1.00 44.42 C ATOM 1689 CG GLU A 108 21.833 9.648 35.519 1.00 4.03 C ATOM 1690 CD GLU A 108 22.800 10.473 34.692 1.00 41.10 C ATOM 1691 OE1 GLU A 108 23.678 11.131 35.288 1.00 2.15 O ATOM 1692 OE2 GLU A 108 22.679 10.458 33.449 1.00 23.45 O ATOM 0 H GLU A 108 19.832 12.276 35.150 1.00 23.52 H new ATOM 0 HA GLU A 108 19.288 9.568 35.468 1.00 50.32 H new ATOM 0 HB2 GLU A 108 21.301 11.538 36.370 1.00 44.42 H new ATOM 0 HB3 GLU A 108 21.113 10.180 37.462 1.00 44.42 H new ATOM 0 HG2 GLU A 108 22.394 8.933 36.121 1.00 4.03 H new ATOM 0 HG3 GLU A 108 21.193 9.070 34.853 1.00 4.03 H new ATOM 1699 N GLY A 109 18.303 9.062 37.712 1.00 50.24 N ATOM 1700 CA GLY A 109 17.525 8.812 38.912 1.00 24.21 C ATOM 1701 C GLY A 109 16.213 9.571 38.921 1.00 61.22 C ATOM 1702 O GLY A 109 15.896 10.263 39.888 1.00 11.34 O ATOM 0 H GLY A 109 18.537 8.229 37.172 1.00 50.24 H new ATOM 0 HA2 GLY A 109 17.324 7.744 38.995 1.00 24.21 H new ATOM 0 HA3 GLY A 109 18.111 9.095 39.787 1.00 24.21 H new ATOM 1706 N SER A 110 15.450 9.443 37.840 1.00 31.31 N ATOM 1707 CA SER A 110 14.168 10.127 37.725 1.00 12.14 C ATOM 1708 C SER A 110 13.154 9.259 36.985 1.00 33.04 C ATOM 1709 O SER A 110 13.501 8.550 36.041 1.00 22.12 O ATOM 1710 CB SER A 110 14.341 11.461 36.997 1.00 22.23 C ATOM 1711 OG SER A 110 14.325 11.283 35.592 1.00 53.14 O ATOM 0 H SER A 110 15.698 8.872 37.032 1.00 31.31 H new ATOM 0 HA SER A 110 13.794 10.316 38.731 1.00 12.14 H new ATOM 0 HB2 SER A 110 13.543 12.144 37.289 1.00 22.23 H new ATOM 0 HB3 SER A 110 15.282 11.923 37.297 1.00 22.23 H new ATOM 0 HG SER A 110 15.197 10.948 35.295 1.00 53.14 H new ATOM 1717 N GLN A 111 11.900 9.323 37.422 1.00 31.21 N ATOM 1718 CA GLN A 111 10.835 8.542 36.802 1.00 63.21 C ATOM 1719 C GLN A 111 10.744 8.837 35.308 1.00 72.44 C ATOM 1720 O GLN A 111 10.274 8.007 34.529 1.00 44.45 O ATOM 1721 CB GLN A 111 9.496 8.842 37.476 1.00 0.15 C ATOM 1722 CG GLN A 111 9.112 10.314 37.439 1.00 52.11 C ATOM 1723 CD GLN A 111 7.613 10.527 37.492 1.00 0.42 C ATOM 1724 OE1 GLN A 111 7.012 11.034 36.544 1.00 44.21 O ATOM 1725 NE2 GLN A 111 6.998 10.141 38.604 1.00 52.24 N ATOM 0 H GLN A 111 11.597 9.907 38.202 1.00 31.21 H new ATOM 0 HA GLN A 111 11.070 7.486 36.932 1.00 63.21 H new ATOM 0 HB2 GLN A 111 8.715 8.259 36.989 1.00 0.15 H new ATOM 0 HB3 GLN A 111 9.539 8.512 38.514 1.00 0.15 H new ATOM 0 HG2 GLN A 111 9.578 10.828 38.279 1.00 52.11 H new ATOM 0 HG3 GLN A 111 9.507 10.766 36.529 1.00 52.11 H new ATOM 0 HE21 GLN A 111 7.534 9.725 39.365 1.00 52.24 H new ATOM 0 HE22 GLN A 111 5.989 10.260 38.697 1.00 52.24 H new ATOM 1734 N LEU A 112 11.195 10.023 34.915 1.00 21.02 N ATOM 1735 CA LEU A 112 11.164 10.427 33.514 1.00 11.11 C ATOM 1736 C LEU A 112 11.981 9.470 32.652 1.00 33.20 C ATOM 1737 O LEU A 112 11.780 9.381 31.441 1.00 61.41 O ATOM 1738 CB LEU A 112 11.701 11.852 33.361 1.00 70.43 C ATOM 1739 CG LEU A 112 10.695 12.901 32.889 1.00 11.12 C ATOM 1740 CD1 LEU A 112 10.077 13.622 34.076 1.00 31.42 C ATOM 1741 CD2 LEU A 112 11.362 13.894 31.948 1.00 34.32 C ATOM 0 H LEU A 112 11.586 10.722 35.547 1.00 21.02 H new ATOM 0 HA LEU A 112 10.128 10.397 33.177 1.00 11.11 H new ATOM 0 HB2 LEU A 112 12.105 12.172 34.322 1.00 70.43 H new ATOM 0 HB3 LEU A 112 12.532 11.832 32.656 1.00 70.43 H new ATOM 0 HG LEU A 112 9.899 12.393 32.345 1.00 11.12 H new ATOM 0 HD11 LEU A 112 9.364 14.365 33.719 1.00 31.42 H new ATOM 0 HD12 LEU A 112 9.563 12.901 34.712 1.00 31.42 H new ATOM 0 HD13 LEU A 112 10.861 14.118 34.649 1.00 31.42 H new ATOM 0 HD21 LEU A 112 10.631 14.634 31.622 1.00 34.32 H new ATOM 0 HD22 LEU A 112 12.179 14.395 32.467 1.00 34.32 H new ATOM 0 HD23 LEU A 112 11.755 13.365 31.080 1.00 34.32 H new ATOM 1753 N LYS A 113 12.903 8.752 33.286 1.00 70.02 N ATOM 1754 CA LYS A 113 13.749 7.797 32.579 1.00 33.24 C ATOM 1755 C LYS A 113 12.907 6.839 31.744 1.00 14.42 C ATOM 1756 O LYS A 113 13.014 6.812 30.518 1.00 33.15 O ATOM 1757 CB LYS A 113 14.602 7.008 33.574 1.00 42.32 C ATOM 1758 CG LYS A 113 15.956 7.640 33.849 1.00 71.31 C ATOM 1759 CD LYS A 113 17.089 6.796 33.290 1.00 44.13 C ATOM 1760 CE LYS A 113 18.448 7.372 33.659 1.00 34.22 C ATOM 1761 NZ LYS A 113 19.065 6.647 34.804 1.00 44.11 N ATOM 0 H LYS A 113 13.083 8.814 34.288 1.00 70.02 H new ATOM 0 HA LYS A 113 14.404 8.355 31.910 1.00 33.24 H new ATOM 0 HB2 LYS A 113 14.057 6.914 34.513 1.00 42.32 H new ATOM 0 HB3 LYS A 113 14.752 5.999 33.191 1.00 42.32 H new ATOM 0 HG2 LYS A 113 15.990 8.636 33.407 1.00 71.31 H new ATOM 0 HG3 LYS A 113 16.089 7.764 34.924 1.00 71.31 H new ATOM 0 HD2 LYS A 113 17.008 5.778 33.672 1.00 44.13 H new ATOM 0 HD3 LYS A 113 17.000 6.738 32.205 1.00 44.13 H new ATOM 0 HE2 LYS A 113 19.111 7.319 32.796 1.00 34.22 H new ATOM 0 HE3 LYS A 113 18.339 8.426 33.913 1.00 34.22 H new ATOM 0 HZ1 LYS A 113 19.989 7.069 35.025 1.00 44.11 H new ATOM 0 HZ2 LYS A 113 18.444 6.719 35.635 1.00 44.11 H new ATOM 0 HZ3 LYS A 113 19.193 5.646 34.553 1.00 44.11 H new ATOM 1775 N GLN A 114 12.069 6.054 32.414 1.00 70.42 N ATOM 1776 CA GLN A 114 11.209 5.095 31.732 1.00 33.04 C ATOM 1777 C GLN A 114 10.205 5.809 30.832 1.00 72.40 C ATOM 1778 O GLN A 114 9.850 5.309 29.765 1.00 73.51 O ATOM 1779 CB GLN A 114 10.469 4.227 32.751 1.00 51.22 C ATOM 1780 CG GLN A 114 9.414 4.981 33.543 1.00 3.21 C ATOM 1781 CD GLN A 114 9.331 4.526 34.987 1.00 44.21 C ATOM 1782 OE1 GLN A 114 8.367 3.874 35.390 1.00 44.44 O ATOM 1783 NE2 GLN A 114 10.344 4.870 35.775 1.00 52.31 N ATOM 0 H GLN A 114 11.968 6.064 33.429 1.00 70.42 H new ATOM 0 HA GLN A 114 11.839 4.458 31.111 1.00 33.04 H new ATOM 0 HB2 GLN A 114 9.994 3.395 32.230 1.00 51.22 H new ATOM 0 HB3 GLN A 114 11.193 3.798 33.444 1.00 51.22 H new ATOM 0 HG2 GLN A 114 9.637 6.048 33.515 1.00 3.21 H new ATOM 0 HG3 GLN A 114 8.443 4.846 33.067 1.00 3.21 H new ATOM 0 HE21 GLN A 114 11.122 5.411 35.398 1.00 52.31 H new ATOM 0 HE22 GLN A 114 10.343 4.593 36.757 1.00 52.31 H new ATOM 1792 N GLN A 115 9.753 6.979 31.270 1.00 34.10 N ATOM 1793 CA GLN A 115 8.789 7.760 30.504 1.00 1.41 C ATOM 1794 C GLN A 115 9.344 8.110 29.126 1.00 75.00 C ATOM 1795 O GLN A 115 8.660 7.956 28.114 1.00 45.00 O ATOM 1796 CB GLN A 115 8.422 9.039 31.258 1.00 21.13 C ATOM 1797 CG GLN A 115 7.556 8.795 32.483 1.00 32.22 C ATOM 1798 CD GLN A 115 6.158 9.363 32.333 1.00 71.03 C ATOM 1799 OE1 GLN A 115 5.245 8.557 31.803 1.00 44.13 O flip ATOM 1800 NE2 GLN A 115 5.901 10.513 32.690 1.00 45.12 N flip ATOM 0 H GLN A 115 10.038 7.407 32.151 1.00 34.10 H new ATOM 0 HA GLN A 115 7.892 7.154 30.372 1.00 1.41 H new ATOM 0 HB2 GLN A 115 9.337 9.545 31.565 1.00 21.13 H new ATOM 0 HB3 GLN A 115 7.897 9.713 30.580 1.00 21.13 H new ATOM 0 HG2 GLN A 115 7.490 7.723 32.669 1.00 32.22 H new ATOM 0 HG3 GLN A 115 8.034 9.241 33.355 1.00 32.22 H new ATOM 0 HE21 GLN A 115 6.633 11.098 33.092 1.00 45.12 H new ATOM 0 HE22 GLN A 115 4.956 10.881 32.583 1.00 45.12 H new ATOM 1809 N ILE A 116 10.586 8.581 29.097 1.00 53.10 N ATOM 1810 CA ILE A 116 11.233 8.951 27.844 1.00 12.02 C ATOM 1811 C ILE A 116 11.567 7.717 27.013 1.00 11.55 C ATOM 1812 O ILE A 116 11.542 7.761 25.782 1.00 34.24 O ATOM 1813 CB ILE A 116 12.524 9.754 28.092 1.00 33.22 C ATOM 1814 CG1 ILE A 116 12.216 11.022 28.891 1.00 10.12 C ATOM 1815 CG2 ILE A 116 13.193 10.102 26.771 1.00 75.42 C ATOM 1816 CD1 ILE A 116 13.427 11.613 29.578 1.00 72.22 C ATOM 0 H ILE A 116 11.164 8.715 29.926 1.00 53.10 H new ATOM 0 HA ILE A 116 10.527 9.575 27.296 1.00 12.02 H new ATOM 0 HB ILE A 116 13.211 9.139 28.673 1.00 33.22 H new ATOM 0 HG12 ILE A 116 11.788 11.768 28.222 1.00 10.12 H new ATOM 0 HG13 ILE A 116 11.458 10.794 29.641 1.00 10.12 H new ATOM 0 HG21 ILE A 116 14.104 10.669 26.963 1.00 75.42 H new ATOM 0 HG22 ILE A 116 13.442 9.185 26.237 1.00 75.42 H new ATOM 0 HG23 ILE A 116 12.513 10.701 26.166 1.00 75.42 H new ATOM 0 HD11 ILE A 116 13.134 12.509 30.125 1.00 72.22 H new ATOM 0 HD12 ILE A 116 13.843 10.884 30.273 1.00 72.22 H new ATOM 0 HD13 ILE A 116 14.178 11.873 28.832 1.00 72.22 H new ATOM 1828 N GLN A 117 11.877 6.618 27.692 1.00 44.54 N ATOM 1829 CA GLN A 117 12.215 5.372 27.015 1.00 52.12 C ATOM 1830 C GLN A 117 11.008 4.814 26.267 1.00 32.54 C ATOM 1831 O GLN A 117 11.155 4.084 25.287 1.00 24.42 O ATOM 1832 CB GLN A 117 12.726 4.342 28.022 1.00 71.43 C ATOM 1833 CG GLN A 117 13.499 3.198 27.386 1.00 14.11 C ATOM 1834 CD GLN A 117 14.684 2.757 28.221 1.00 53.42 C ATOM 1835 OE1 GLN A 117 14.775 3.075 29.407 1.00 23.10 O ATOM 1836 NE2 GLN A 117 15.601 2.020 27.605 1.00 74.15 N ATOM 0 H GLN A 117 11.901 6.565 28.710 1.00 44.54 H new ATOM 0 HA GLN A 117 13.002 5.583 26.291 1.00 52.12 H new ATOM 0 HB2 GLN A 117 13.367 4.843 28.747 1.00 71.43 H new ATOM 0 HB3 GLN A 117 11.879 3.934 28.573 1.00 71.43 H new ATOM 0 HG2 GLN A 117 12.829 2.351 27.237 1.00 14.11 H new ATOM 0 HG3 GLN A 117 13.849 3.505 26.400 1.00 14.11 H new ATOM 0 HE21 GLN A 117 15.485 1.780 26.620 1.00 74.15 H new ATOM 0 HE22 GLN A 117 16.421 1.694 28.116 1.00 74.15 H new ATOM 1845 N SER A 118 9.814 5.162 26.738 1.00 72.24 N ATOM 1846 CA SER A 118 8.581 4.692 26.117 1.00 4.43 C ATOM 1847 C SER A 118 8.426 5.270 24.714 1.00 1.03 C ATOM 1848 O SER A 118 8.199 4.538 23.751 1.00 55.33 O ATOM 1849 CB SER A 118 7.375 5.075 26.976 1.00 3.04 C ATOM 1850 OG SER A 118 6.205 4.401 26.543 1.00 44.42 O ATOM 0 H SER A 118 9.675 5.767 27.547 1.00 72.24 H new ATOM 0 HA SER A 118 8.632 3.606 26.040 1.00 4.43 H new ATOM 0 HB2 SER A 118 7.575 4.829 28.019 1.00 3.04 H new ATOM 0 HB3 SER A 118 7.217 6.152 26.927 1.00 3.04 H new ATOM 0 HG SER A 118 5.449 4.662 27.109 1.00 44.42 H new ATOM 1856 N ILE A 119 8.549 6.588 24.607 1.00 21.53 N ATOM 1857 CA ILE A 119 8.423 7.265 23.322 1.00 24.23 C ATOM 1858 C ILE A 119 9.638 7.001 22.439 1.00 62.42 C ATOM 1859 O ILE A 119 9.535 6.991 21.214 1.00 41.44 O ATOM 1860 CB ILE A 119 8.255 8.786 23.501 1.00 24.10 C ATOM 1861 CG1 ILE A 119 7.902 9.444 22.165 1.00 74.34 C ATOM 1862 CG2 ILE A 119 9.524 9.396 24.078 1.00 72.32 C ATOM 1863 CD1 ILE A 119 7.017 10.662 22.307 1.00 0.24 C ATOM 0 H ILE A 119 8.736 7.209 25.394 1.00 21.53 H new ATOM 0 HA ILE A 119 7.532 6.862 22.840 1.00 24.23 H new ATOM 0 HB ILE A 119 7.438 8.965 24.200 1.00 24.10 H new ATOM 0 HG12 ILE A 119 8.822 9.731 21.656 1.00 74.34 H new ATOM 0 HG13 ILE A 119 7.401 8.713 21.530 1.00 74.34 H new ATOM 0 HG21 ILE A 119 9.389 10.471 24.198 1.00 72.32 H new ATOM 0 HG22 ILE A 119 9.736 8.946 25.048 1.00 72.32 H new ATOM 0 HG23 ILE A 119 10.358 9.209 23.402 1.00 72.32 H new ATOM 0 HD11 ILE A 119 6.807 11.076 21.321 1.00 0.24 H new ATOM 0 HD12 ILE A 119 6.081 10.378 22.787 1.00 0.24 H new ATOM 0 HD13 ILE A 119 7.524 11.411 22.915 1.00 0.24 H new ATOM 1875 N GLN A 120 10.786 6.784 23.072 1.00 65.51 N ATOM 1876 CA GLN A 120 12.021 6.518 22.344 1.00 62.52 C ATOM 1877 C GLN A 120 11.903 5.238 21.523 1.00 24.13 C ATOM 1878 O GLN A 120 12.515 5.113 20.462 1.00 61.21 O ATOM 1879 CB GLN A 120 13.198 6.407 23.316 1.00 10.10 C ATOM 1880 CG GLN A 120 14.543 6.246 22.627 1.00 12.33 C ATOM 1881 CD GLN A 120 15.600 5.655 23.540 1.00 14.13 C ATOM 1882 OE1 GLN A 120 15.697 4.437 23.688 1.00 41.34 O ATOM 1883 NE2 GLN A 120 16.397 6.518 24.158 1.00 64.10 N ATOM 0 H GLN A 120 10.887 6.787 24.087 1.00 65.51 H new ATOM 0 HA GLN A 120 12.198 7.351 21.663 1.00 62.52 H new ATOM 0 HB2 GLN A 120 13.225 7.298 23.944 1.00 10.10 H new ATOM 0 HB3 GLN A 120 13.034 5.556 23.977 1.00 10.10 H new ATOM 0 HG2 GLN A 120 14.425 5.606 21.753 1.00 12.33 H new ATOM 0 HG3 GLN A 120 14.881 7.218 22.267 1.00 12.33 H new ATOM 0 HE21 GLN A 120 16.280 7.520 24.005 1.00 64.10 H new ATOM 0 HE22 GLN A 120 17.126 6.179 24.786 1.00 64.10 H new ATOM 1892 N GLN A 121 11.112 4.293 22.020 1.00 43.32 N ATOM 1893 CA GLN A 121 10.916 3.023 21.331 1.00 75.14 C ATOM 1894 C GLN A 121 10.281 3.239 19.961 1.00 32.21 C ATOM 1895 O GLN A 121 10.585 2.525 19.005 1.00 73.13 O ATOM 1896 CB GLN A 121 10.039 2.092 22.172 1.00 21.34 C ATOM 1897 CG GLN A 121 10.666 0.732 22.430 1.00 24.11 C ATOM 1898 CD GLN A 121 10.482 0.267 23.860 1.00 42.24 C ATOM 1899 OE1 GLN A 121 11.451 -0.032 24.559 1.00 1.30 O ATOM 1900 NE2 GLN A 121 9.233 0.202 24.305 1.00 21.41 N ATOM 0 H GLN A 121 10.597 4.382 22.896 1.00 43.32 H new ATOM 0 HA GLN A 121 11.893 2.561 21.190 1.00 75.14 H new ATOM 0 HB2 GLN A 121 9.827 2.572 23.127 1.00 21.34 H new ATOM 0 HB3 GLN A 121 9.084 1.952 21.666 1.00 21.34 H new ATOM 0 HG2 GLN A 121 10.226 -0.001 21.754 1.00 24.11 H new ATOM 0 HG3 GLN A 121 11.731 0.778 22.201 1.00 24.11 H new ATOM 0 HE21 GLN A 121 8.459 0.459 23.692 1.00 21.41 H new ATOM 0 HE22 GLN A 121 9.047 -0.105 25.260 1.00 21.41 H new ATOM 1909 N SER A 122 9.397 4.228 19.873 1.00 53.11 N ATOM 1910 CA SER A 122 8.716 4.535 18.622 1.00 15.41 C ATOM 1911 C SER A 122 9.721 4.875 17.526 1.00 10.51 C ATOM 1912 O SER A 122 9.603 4.407 16.392 1.00 74.40 O ATOM 1913 CB SER A 122 7.744 5.700 18.817 1.00 65.52 C ATOM 1914 OG SER A 122 6.701 5.350 19.710 1.00 62.42 O ATOM 0 H SER A 122 9.136 4.830 20.654 1.00 53.11 H new ATOM 0 HA SER A 122 8.156 3.651 18.316 1.00 15.41 H new ATOM 0 HB2 SER A 122 8.282 6.566 19.203 1.00 65.52 H new ATOM 0 HB3 SER A 122 7.321 5.990 17.855 1.00 65.52 H new ATOM 0 HG SER A 122 6.094 6.112 19.819 1.00 62.42 H new ATOM 1920 N ILE A 123 10.709 5.693 17.871 1.00 41.30 N ATOM 1921 CA ILE A 123 11.736 6.095 16.918 1.00 23.10 C ATOM 1922 C ILE A 123 12.706 4.952 16.640 1.00 41.22 C ATOM 1923 O ILE A 123 13.178 4.786 15.516 1.00 22.31 O ATOM 1924 CB ILE A 123 12.529 7.315 17.425 1.00 74.13 C ATOM 1925 CG1 ILE A 123 11.572 8.411 17.898 1.00 0.44 C ATOM 1926 CG2 ILE A 123 13.448 7.841 16.333 1.00 62.00 C ATOM 1927 CD1 ILE A 123 12.276 9.637 18.437 1.00 52.34 C ATOM 0 H ILE A 123 10.820 6.091 18.804 1.00 41.30 H new ATOM 0 HA ILE A 123 11.222 6.364 15.995 1.00 23.10 H new ATOM 0 HB ILE A 123 13.143 7.005 18.270 1.00 74.13 H new ATOM 0 HG12 ILE A 123 10.931 8.706 17.067 1.00 0.44 H new ATOM 0 HG13 ILE A 123 10.922 8.005 18.673 1.00 0.44 H new ATOM 0 HG21 ILE A 123 14.001 8.703 16.707 1.00 62.00 H new ATOM 0 HG22 ILE A 123 14.149 7.059 16.039 1.00 62.00 H new ATOM 0 HG23 ILE A 123 12.854 8.138 15.469 1.00 62.00 H new ATOM 0 HD11 ILE A 123 11.536 10.372 18.754 1.00 52.34 H new ATOM 0 HD12 ILE A 123 12.896 9.356 19.289 1.00 52.34 H new ATOM 0 HD13 ILE A 123 12.905 10.068 17.658 1.00 52.34 H new ATOM 1939 N GLU A 124 12.998 4.167 17.671 1.00 63.52 N ATOM 1940 CA GLU A 124 13.912 3.038 17.538 1.00 45.12 C ATOM 1941 C GLU A 124 13.331 1.975 16.610 1.00 21.21 C ATOM 1942 O GLU A 124 14.002 1.503 15.693 1.00 52.44 O ATOM 1943 CB GLU A 124 14.208 2.428 18.909 1.00 51.32 C ATOM 1944 CG GLU A 124 15.680 2.463 19.285 1.00 75.22 C ATOM 1945 CD GLU A 124 16.285 1.077 19.405 1.00 54.41 C ATOM 1946 OE1 GLU A 124 16.317 0.353 18.387 1.00 72.44 O ATOM 1947 OE2 GLU A 124 16.726 0.716 20.517 1.00 41.31 O ATOM 0 H GLU A 124 12.615 4.291 18.608 1.00 63.52 H new ATOM 0 HA GLU A 124 14.842 3.405 17.104 1.00 45.12 H new ATOM 0 HB2 GLU A 124 13.635 2.963 19.667 1.00 51.32 H new ATOM 0 HB3 GLU A 124 13.863 1.394 18.920 1.00 51.32 H new ATOM 0 HG2 GLU A 124 16.229 3.031 18.535 1.00 75.22 H new ATOM 0 HG3 GLU A 124 15.797 2.990 20.232 1.00 75.22 H new ATOM 1954 N ARG A 125 12.079 1.603 16.857 1.00 61.30 N ATOM 1955 CA ARG A 125 11.408 0.595 16.046 1.00 13.22 C ATOM 1956 C ARG A 125 11.242 1.076 14.607 1.00 71.02 C ATOM 1957 O ARG A 125 11.221 0.275 13.672 1.00 60.34 O ATOM 1958 CB ARG A 125 10.040 0.258 16.643 1.00 40.04 C ATOM 1959 CG ARG A 125 9.018 1.372 16.492 1.00 32.53 C ATOM 1960 CD ARG A 125 7.643 0.937 16.975 1.00 43.51 C ATOM 1961 NE ARG A 125 6.614 1.150 15.960 1.00 62.14 N ATOM 1962 CZ ARG A 125 5.390 0.640 16.037 1.00 10.05 C ATOM 1963 NH1 ARG A 125 5.043 -0.107 17.076 1.00 0.52 N ATOM 1964 NH2 ARG A 125 4.510 0.879 15.073 1.00 33.42 N ATOM 0 H ARG A 125 11.509 1.985 17.612 1.00 61.30 H new ATOM 0 HA ARG A 125 12.027 -0.302 16.042 1.00 13.22 H new ATOM 0 HB2 ARG A 125 9.656 -0.643 16.164 1.00 40.04 H new ATOM 0 HB3 ARG A 125 10.162 0.029 17.702 1.00 40.04 H new ATOM 0 HG2 ARG A 125 9.344 2.245 17.057 1.00 32.53 H new ATOM 0 HG3 ARG A 125 8.959 1.673 15.446 1.00 32.53 H new ATOM 0 HD2 ARG A 125 7.671 -0.118 17.247 1.00 43.51 H new ATOM 0 HD3 ARG A 125 7.383 1.492 17.877 1.00 43.51 H new ATOM 0 HE ARG A 125 6.848 1.721 15.148 1.00 62.14 H new ATOM 0 HH11 ARG A 125 5.717 -0.291 17.819 1.00 0.52 H new ATOM 0 HH12 ARG A 125 4.102 -0.497 17.132 1.00 0.52 H new ATOM 0 HH21 ARG A 125 4.774 1.454 14.273 1.00 33.42 H new ATOM 0 HH22 ARG A 125 3.570 0.487 15.132 1.00 33.42 H new ATOM 1978 N LEU A 126 11.125 2.389 14.438 1.00 54.42 N ATOM 1979 CA LEU A 126 10.960 2.977 13.113 1.00 72.22 C ATOM 1980 C LEU A 126 12.309 3.147 12.422 1.00 50.15 C ATOM 1981 O LEU A 126 12.392 3.159 11.193 1.00 74.34 O ATOM 1982 CB LEU A 126 10.254 4.330 13.219 1.00 62.20 C ATOM 1983 CG LEU A 126 8.727 4.298 13.147 1.00 21.11 C ATOM 1984 CD1 LEU A 126 8.150 5.676 13.429 1.00 1.41 C ATOM 1985 CD2 LEU A 126 8.268 3.793 11.787 1.00 70.14 C ATOM 0 H LEU A 126 11.141 3.066 15.201 1.00 54.42 H new ATOM 0 HA LEU A 126 10.349 2.301 12.515 1.00 72.22 H new ATOM 0 HB2 LEU A 126 10.544 4.795 14.161 1.00 62.20 H new ATOM 0 HB3 LEU A 126 10.622 4.973 12.419 1.00 62.20 H new ATOM 0 HG LEU A 126 8.361 3.611 13.910 1.00 21.11 H new ATOM 0 HD11 LEU A 126 7.062 5.633 13.373 1.00 1.41 H new ATOM 0 HD12 LEU A 126 8.450 5.999 14.426 1.00 1.41 H new ATOM 0 HD13 LEU A 126 8.524 6.385 12.690 1.00 1.41 H new ATOM 0 HD21 LEU A 126 7.179 3.777 11.754 1.00 70.14 H new ATOM 0 HD22 LEU A 126 8.645 4.454 11.007 1.00 70.14 H new ATOM 0 HD23 LEU A 126 8.651 2.785 11.625 1.00 70.14 H new ATOM 1997 N LEU A 127 13.364 3.276 13.219 1.00 22.53 N ATOM 1998 CA LEU A 127 14.711 3.444 12.684 1.00 22.41 C ATOM 1999 C LEU A 127 15.222 2.141 12.079 1.00 2.51 C ATOM 2000 O LEU A 127 16.054 2.149 11.171 1.00 25.51 O ATOM 2001 CB LEU A 127 15.663 3.917 13.784 1.00 50.35 C ATOM 2002 CG LEU A 127 16.200 5.341 13.640 1.00 70.44 C ATOM 2003 CD1 LEU A 127 17.181 5.427 12.481 1.00 44.23 C ATOM 2004 CD2 LEU A 127 15.057 6.326 13.446 1.00 41.43 C ATOM 0 H LEU A 127 13.313 3.268 14.238 1.00 22.53 H new ATOM 0 HA LEU A 127 14.672 4.198 11.898 1.00 22.41 H new ATOM 0 HB2 LEU A 127 15.147 3.840 14.741 1.00 50.35 H new ATOM 0 HB3 LEU A 127 16.511 3.233 13.822 1.00 50.35 H new ATOM 0 HG LEU A 127 16.728 5.603 14.557 1.00 70.44 H new ATOM 0 HD11 LEU A 127 17.553 6.448 12.394 1.00 44.23 H new ATOM 0 HD12 LEU A 127 18.017 4.751 12.661 1.00 44.23 H new ATOM 0 HD13 LEU A 127 16.678 5.144 11.557 1.00 44.23 H new ATOM 0 HD21 LEU A 127 15.459 7.334 13.345 1.00 41.43 H new ATOM 0 HD22 LEU A 127 14.501 6.065 12.545 1.00 41.43 H new ATOM 0 HD23 LEU A 127 14.391 6.285 14.308 1.00 41.43 H new