USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 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 94 THR OG1 : rot -64:sc= 0.398 USER MOD Set 1.2: A 125 SER OG : rot 180:sc= -0.147 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 18 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 93:sc= 1.25 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -143:sc= -1.52 (180deg=-1.77) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.205 K(o=-0.2,f=-1.2) USER MOD Single : A 42 SER OG : rot 74:sc= 1.08 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00537 USER MOD Single : A 58 GLN : amide:sc= 0.796 K(o=0.8,f=-0.38) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0912 K(o=-0.091,f=-2.3!) USER MOD Single : A 65 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.486) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 70 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.7!) USER MOD Single : A 71 MET CE :methyl 169:sc=-0.00189 (180deg=-0.131) USER MOD Single : A 75 SER OG : rot 5:sc= 0.283 USER MOD Single : A 76 SER OG : rot 170:sc= 0 USER MOD Single : A 83 SER OG : rot 64:sc= 0.337 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00837 USER MOD Single : A 93 LYS NZ :NH3+ 151:sc= 1.07 (180deg=0.318) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 67:sc= 0.122 USER MOD Single : A 103 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.8!) USER MOD Single : A 107 GLN : amide:sc= -0.42 K(o=-0.42,f=-2.4!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 113 ASN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 118 ASN : amide:sc= 0.706 K(o=0.71,f=0) USER MOD Single : A 121 THR OG1 : rot -5:sc= 0.416 USER MOD Single : A 122 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.19) USER MOD Single : A 126 MET CE :methyl 169:sc=-0.00656 (180deg=-0.194) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 12.898 2.811 4.772 1.00 20.21 N ATOM 83 CA THR A 8 11.471 2.590 4.549 1.00 74.41 C ATOM 84 C THR A 8 11.229 1.369 3.656 1.00 71.12 C ATOM 85 O THR A 8 12.129 0.972 2.907 1.00 72.40 O ATOM 86 CB THR A 8 10.883 3.834 3.843 1.00 53.31 C ATOM 87 OG1 THR A 8 11.498 4.015 2.577 1.00 0.33 O ATOM 88 CG2 THR A 8 10.956 5.118 4.673 1.00 60.32 C ATOM 0 HA THR A 8 10.994 2.417 5.514 1.00 74.41 H new ATOM 0 HB THR A 8 9.820 3.634 3.711 1.00 53.31 H new ATOM 0 HG1 THR A 8 11.117 4.804 2.138 1.00 0.33 H new ATOM 0 HG21 THR A 8 10.523 5.943 4.106 1.00 60.32 H new ATOM 0 HG22 THR A 8 10.400 4.984 5.601 1.00 60.32 H new ATOM 0 HG23 THR A 8 11.997 5.343 4.904 1.00 60.32 H new ATOM 96 N PRO A 9 10.009 0.799 3.640 1.00 62.21 N ATOM 97 CA PRO A 9 9.694 -0.331 2.779 1.00 40.55 C ATOM 98 C PRO A 9 9.488 0.137 1.323 1.00 44.10 C ATOM 99 O PRO A 9 8.992 -0.634 0.513 1.00 54.45 O ATOM 100 CB PRO A 9 8.441 -0.972 3.385 1.00 42.42 C ATOM 101 CG PRO A 9 7.716 0.211 4.018 1.00 43.14 C ATOM 102 CD PRO A 9 8.852 1.137 4.463 1.00 21.24 C ATOM 0 HA PRO A 9 10.503 -1.060 2.731 1.00 40.55 H new ATOM 0 HB2 PRO A 9 7.830 -1.459 2.625 1.00 42.42 H new ATOM 0 HB3 PRO A 9 8.695 -1.731 4.125 1.00 42.42 H new ATOM 0 HG2 PRO A 9 7.054 0.703 3.305 1.00 43.14 H new ATOM 0 HG3 PRO A 9 7.100 -0.101 4.861 1.00 43.14 H new ATOM 0 HD2 PRO A 9 8.574 2.183 4.331 1.00 21.24 H new ATOM 0 HD3 PRO A 9 9.074 0.997 5.521 1.00 21.24 H new ATOM 110 N TRP A 10 9.834 1.381 0.965 1.00 30.43 N ATOM 111 CA TRP A 10 9.688 1.919 -0.386 1.00 24.12 C ATOM 112 C TRP A 10 11.056 2.224 -0.997 1.00 61.43 C ATOM 113 O TRP A 10 11.177 2.275 -2.220 1.00 63.42 O ATOM 114 CB TRP A 10 8.803 3.173 -0.358 1.00 53.24 C ATOM 115 CG TRP A 10 7.513 3.025 0.395 1.00 51.30 C ATOM 116 CD1 TRP A 10 7.371 3.163 1.731 1.00 51.42 C ATOM 117 CD2 TRP A 10 6.181 2.707 -0.106 1.00 71.14 C ATOM 118 NE1 TRP A 10 6.073 2.898 2.101 1.00 34.52 N ATOM 119 CE2 TRP A 10 5.299 2.571 1.009 1.00 50.24 C ATOM 120 CE3 TRP A 10 5.635 2.486 -1.388 1.00 23.13 C ATOM 121 CZ2 TRP A 10 3.958 2.189 0.862 1.00 33.13 C ATOM 122 CZ3 TRP A 10 4.284 2.130 -1.549 1.00 14.32 C ATOM 123 CH2 TRP A 10 3.453 1.958 -0.427 1.00 61.11 C ATOM 0 H TRP A 10 10.231 2.052 1.623 1.00 30.43 H new ATOM 0 HA TRP A 10 9.205 1.170 -1.013 1.00 24.12 H new ATOM 0 HB2 TRP A 10 9.372 3.991 0.084 1.00 53.24 H new ATOM 0 HB3 TRP A 10 8.576 3.461 -1.384 1.00 53.24 H new ATOM 0 HD1 TRP A 10 8.163 3.441 2.411 1.00 51.42 H new ATOM 0 HE1 TRP A 10 5.728 2.938 3.060 1.00 34.52 H new ATOM 0 HE3 TRP A 10 6.264 2.592 -2.259 1.00 23.13 H new ATOM 0 HZ2 TRP A 10 3.323 2.074 1.728 1.00 33.13 H new ATOM 0 HZ3 TRP A 10 3.882 1.988 -2.541 1.00 14.32 H new ATOM 0 HH2 TRP A 10 2.427 1.648 -0.557 1.00 61.11 H new ATOM 134 N THR A 11 12.098 2.405 -0.176 1.00 10.32 N ATOM 135 CA THR A 11 13.435 2.701 -0.673 1.00 23.10 C ATOM 136 C THR A 11 14.215 1.416 -1.005 1.00 63.21 C ATOM 137 O THR A 11 15.200 1.490 -1.747 1.00 11.11 O ATOM 138 CB THR A 11 14.130 3.656 0.316 1.00 20.13 C ATOM 139 OG1 THR A 11 15.149 4.401 -0.316 1.00 1.33 O ATOM 140 CG2 THR A 11 14.682 2.990 1.579 1.00 35.52 C ATOM 0 H THR A 11 12.033 2.350 0.840 1.00 10.32 H new ATOM 0 HA THR A 11 13.385 3.222 -1.629 1.00 23.10 H new ATOM 0 HB THR A 11 13.334 4.321 0.650 1.00 20.13 H new ATOM 0 HG1 THR A 11 15.570 4.999 0.337 1.00 1.33 H new ATOM 0 HG21 THR A 11 15.152 3.743 2.212 1.00 35.52 H new ATOM 0 HG22 THR A 11 13.867 2.514 2.125 1.00 35.52 H new ATOM 0 HG23 THR A 11 15.420 2.238 1.301 1.00 35.52 H new ATOM 148 N ASN A 12 13.810 0.250 -0.483 1.00 52.25 N ATOM 149 CA ASN A 12 14.462 -1.034 -0.741 1.00 64.30 C ATOM 150 C ASN A 12 13.460 -1.926 -1.466 1.00 52.33 C ATOM 151 O ASN A 12 12.345 -2.070 -0.967 1.00 51.11 O ATOM 152 CB ASN A 12 14.897 -1.753 0.542 1.00 72.42 C ATOM 153 CG ASN A 12 16.361 -1.523 0.869 1.00 51.43 C ATOM 154 OD1 ASN A 12 16.774 -0.409 1.189 1.00 71.30 O ATOM 155 ND2 ASN A 12 17.164 -2.567 0.789 1.00 60.20 N ATOM 0 H ASN A 12 13.006 0.175 0.140 1.00 52.25 H new ATOM 0 HA ASN A 12 15.359 -0.841 -1.330 1.00 64.30 H new ATOM 0 HB2 ASN A 12 14.284 -1.408 1.374 1.00 72.42 H new ATOM 0 HB3 ASN A 12 14.716 -2.822 0.435 1.00 72.42 H new ATOM 0 HD21 ASN A 12 18.158 -2.463 0.995 1.00 60.20 H new ATOM 0 HD22 ASN A 12 16.791 -3.478 0.521 1.00 60.20 H new ATOM 162 N PRO A 13 13.835 -2.574 -2.577 1.00 72.53 N ATOM 163 CA PRO A 13 12.939 -3.434 -3.342 1.00 25.21 C ATOM 164 C PRO A 13 12.613 -4.723 -2.592 1.00 61.44 C ATOM 165 O PRO A 13 11.459 -5.142 -2.579 1.00 35.41 O ATOM 166 CB PRO A 13 13.670 -3.696 -4.659 1.00 44.01 C ATOM 167 CG PRO A 13 15.143 -3.595 -4.261 1.00 54.13 C ATOM 168 CD PRO A 13 15.125 -2.477 -3.232 1.00 42.33 C ATOM 0 HA PRO A 13 11.970 -2.964 -3.512 1.00 25.21 H new ATOM 0 HB2 PRO A 13 13.428 -4.678 -5.066 1.00 44.01 H new ATOM 0 HB3 PRO A 13 13.406 -2.962 -5.420 1.00 44.01 H new ATOM 0 HG2 PRO A 13 15.515 -4.529 -3.840 1.00 54.13 H new ATOM 0 HG3 PRO A 13 15.779 -3.353 -5.113 1.00 54.13 H new ATOM 0 HD2 PRO A 13 15.938 -2.590 -2.515 1.00 42.33 H new ATOM 0 HD3 PRO A 13 15.252 -1.504 -3.707 1.00 42.33 H new ATOM 176 N GLY A 14 13.592 -5.337 -1.923 1.00 44.42 N ATOM 177 CA GLY A 14 13.350 -6.563 -1.184 1.00 42.22 C ATOM 178 C GLY A 14 12.458 -6.274 0.009 1.00 14.55 C ATOM 179 O GLY A 14 11.527 -7.031 0.279 1.00 22.01 O ATOM 0 H GLY A 14 14.554 -5.001 -1.882 1.00 44.42 H new ATOM 0 HA2 GLY A 14 12.879 -7.302 -1.832 1.00 42.22 H new ATOM 0 HA3 GLY A 14 14.295 -6.989 -0.849 1.00 42.22 H new ATOM 183 N LEU A 15 12.709 -5.170 0.724 1.00 42.53 N ATOM 184 CA LEU A 15 11.883 -4.810 1.871 1.00 33.31 C ATOM 185 C LEU A 15 10.462 -4.503 1.390 1.00 42.21 C ATOM 186 O LEU A 15 9.512 -4.824 2.101 1.00 10.33 O ATOM 187 CB LEU A 15 12.498 -3.650 2.661 1.00 72.51 C ATOM 188 CG LEU A 15 11.770 -3.364 3.993 1.00 34.21 C ATOM 189 CD1 LEU A 15 11.688 -4.575 4.933 1.00 10.12 C ATOM 190 CD2 LEU A 15 12.501 -2.229 4.715 1.00 11.05 C ATOM 0 H LEU A 15 13.470 -4.520 0.527 1.00 42.53 H new ATOM 0 HA LEU A 15 11.836 -5.651 2.563 1.00 33.31 H new ATOM 0 HB2 LEU A 15 13.544 -3.875 2.868 1.00 72.51 H new ATOM 0 HB3 LEU A 15 12.481 -2.751 2.045 1.00 72.51 H new ATOM 0 HG LEU A 15 10.744 -3.097 3.739 1.00 34.21 H new ATOM 0 HD11 LEU A 15 11.163 -4.292 5.845 1.00 10.12 H new ATOM 0 HD12 LEU A 15 11.148 -5.383 4.439 1.00 10.12 H new ATOM 0 HD13 LEU A 15 12.695 -4.911 5.183 1.00 10.12 H new ATOM 0 HD21 LEU A 15 11.999 -2.015 5.658 1.00 11.05 H new ATOM 0 HD22 LEU A 15 13.531 -2.527 4.912 1.00 11.05 H new ATOM 0 HD23 LEU A 15 12.495 -1.336 4.090 1.00 11.05 H new ATOM 202 N ALA A 16 10.318 -3.912 0.195 1.00 34.05 N ATOM 203 CA ALA A 16 9.023 -3.607 -0.389 1.00 32.22 C ATOM 204 C ALA A 16 8.313 -4.930 -0.628 1.00 74.22 C ATOM 205 O ALA A 16 7.173 -5.080 -0.204 1.00 65.44 O ATOM 206 CB ALA A 16 9.163 -2.822 -1.698 1.00 75.13 C ATOM 0 H ALA A 16 11.107 -3.634 -0.389 1.00 34.05 H new ATOM 0 HA ALA A 16 8.449 -2.975 0.289 1.00 32.22 H new ATOM 0 HB1 ALA A 16 8.173 -2.613 -2.104 1.00 75.13 H new ATOM 0 HB2 ALA A 16 9.682 -1.883 -1.505 1.00 75.13 H new ATOM 0 HB3 ALA A 16 9.733 -3.411 -2.416 1.00 75.13 H new ATOM 212 N GLU A 17 8.986 -5.903 -1.252 1.00 72.22 N ATOM 213 CA GLU A 17 8.403 -7.209 -1.515 1.00 1.44 C ATOM 214 C GLU A 17 7.974 -7.848 -0.191 1.00 45.34 C ATOM 215 O GLU A 17 6.875 -8.377 -0.117 1.00 1.31 O ATOM 216 CB GLU A 17 9.370 -8.114 -2.295 1.00 23.14 C ATOM 217 CG GLU A 17 8.614 -9.361 -2.785 1.00 63.11 C ATOM 218 CD GLU A 17 9.488 -10.423 -3.451 1.00 45.53 C ATOM 219 OE1 GLU A 17 10.576 -10.107 -3.986 1.00 64.23 O ATOM 220 OE2 GLU A 17 9.064 -11.602 -3.441 1.00 43.23 O ATOM 0 H GLU A 17 9.945 -5.801 -1.585 1.00 72.22 H new ATOM 0 HA GLU A 17 7.523 -7.082 -2.146 1.00 1.44 H new ATOM 0 HB2 GLU A 17 9.790 -7.572 -3.143 1.00 23.14 H new ATOM 0 HB3 GLU A 17 10.205 -8.407 -1.659 1.00 23.14 H new ATOM 0 HG2 GLU A 17 8.101 -9.814 -1.937 1.00 63.11 H new ATOM 0 HG3 GLU A 17 7.846 -9.048 -3.492 1.00 63.11 H new ATOM 227 N ASN A 18 8.792 -7.784 0.865 1.00 42.24 N ATOM 228 CA ASN A 18 8.441 -8.366 2.164 1.00 44.13 C ATOM 229 C ASN A 18 7.189 -7.698 2.726 1.00 13.32 C ATOM 230 O ASN A 18 6.291 -8.388 3.212 1.00 72.01 O ATOM 231 CB ASN A 18 9.575 -8.228 3.190 1.00 4.04 C ATOM 232 CG ASN A 18 10.666 -9.281 3.050 1.00 30.33 C ATOM 233 OD1 ASN A 18 10.737 -10.234 3.816 1.00 2.15 O ATOM 234 ND2 ASN A 18 11.545 -9.169 2.072 1.00 12.11 N ATOM 0 H ASN A 18 9.706 -7.332 0.844 1.00 42.24 H new ATOM 0 HA ASN A 18 8.260 -9.427 1.991 1.00 44.13 H new ATOM 0 HB2 ASN A 18 10.023 -7.239 3.091 1.00 4.04 H new ATOM 0 HB3 ASN A 18 9.153 -8.287 4.193 1.00 4.04 H new ATOM 0 HD21 ASN A 18 12.275 -9.872 1.959 1.00 12.11 H new ATOM 0 HD22 ASN A 18 11.494 -8.379 1.429 1.00 12.11 H new ATOM 241 N PHE A 19 7.131 -6.364 2.690 1.00 63.32 N ATOM 242 CA PHE A 19 6.011 -5.569 3.178 1.00 74.42 C ATOM 243 C PHE A 19 4.733 -5.946 2.431 1.00 72.45 C ATOM 244 O PHE A 19 3.711 -6.279 3.038 1.00 11.42 O ATOM 245 CB PHE A 19 6.344 -4.080 2.983 1.00 5.15 C ATOM 246 CG PHE A 19 5.281 -3.106 3.455 1.00 21.21 C ATOM 247 CD1 PHE A 19 4.815 -2.106 2.578 1.00 62.33 C ATOM 248 CD2 PHE A 19 4.768 -3.178 4.767 1.00 33.41 C ATOM 249 CE1 PHE A 19 3.851 -1.183 3.017 1.00 64.03 C ATOM 250 CE2 PHE A 19 3.789 -2.265 5.195 1.00 71.04 C ATOM 251 CZ PHE A 19 3.329 -1.269 4.317 1.00 15.25 C ATOM 0 H PHE A 19 7.886 -5.795 2.308 1.00 63.32 H new ATOM 0 HA PHE A 19 5.846 -5.765 4.237 1.00 74.42 H new ATOM 0 HB2 PHE A 19 7.272 -3.861 3.510 1.00 5.15 H new ATOM 0 HB3 PHE A 19 6.530 -3.903 1.924 1.00 5.15 H new ATOM 0 HD1 PHE A 19 5.198 -2.049 1.570 1.00 62.33 H new ATOM 0 HD2 PHE A 19 5.129 -3.937 5.445 1.00 33.41 H new ATOM 0 HE1 PHE A 19 3.510 -0.404 2.351 1.00 64.03 H new ATOM 0 HE2 PHE A 19 3.391 -2.329 6.197 1.00 71.04 H new ATOM 0 HZ PHE A 19 2.573 -0.569 4.643 1.00 15.25 H new ATOM 261 N LEU A 20 4.810 -5.903 1.103 1.00 31.22 N ATOM 262 CA LEU A 20 3.740 -6.211 0.178 1.00 60.23 C ATOM 263 C LEU A 20 3.255 -7.640 0.376 1.00 22.03 C ATOM 264 O LEU A 20 2.056 -7.862 0.527 1.00 52.23 O ATOM 265 CB LEU A 20 4.240 -6.026 -1.265 1.00 73.03 C ATOM 266 CG LEU A 20 4.372 -4.553 -1.705 1.00 45.42 C ATOM 267 CD1 LEU A 20 5.276 -4.434 -2.933 1.00 41.41 C ATOM 268 CD2 LEU A 20 3.001 -3.948 -2.019 1.00 64.44 C ATOM 0 H LEU A 20 5.671 -5.637 0.625 1.00 31.22 H new ATOM 0 HA LEU A 20 2.907 -5.534 0.367 1.00 60.23 H new ATOM 0 HB2 LEU A 20 5.210 -6.512 -1.366 1.00 73.03 H new ATOM 0 HB3 LEU A 20 3.556 -6.536 -1.943 1.00 73.03 H new ATOM 0 HG LEU A 20 4.818 -4.002 -0.878 1.00 45.42 H new ATOM 0 HD11 LEU A 20 5.355 -3.387 -3.226 1.00 41.41 H new ATOM 0 HD12 LEU A 20 6.267 -4.820 -2.694 1.00 41.41 H new ATOM 0 HD13 LEU A 20 4.851 -5.010 -3.755 1.00 41.41 H new ATOM 0 HD21 LEU A 20 3.123 -2.909 -2.326 1.00 64.44 H new ATOM 0 HD22 LEU A 20 2.530 -4.512 -2.824 1.00 64.44 H new ATOM 0 HD23 LEU A 20 2.372 -3.991 -1.130 1.00 64.44 H new ATOM 280 N ASN A 21 4.176 -8.603 0.399 1.00 55.02 N ATOM 281 CA ASN A 21 3.871 -10.016 0.552 1.00 1.32 C ATOM 282 C ASN A 21 3.185 -10.291 1.876 1.00 70.13 C ATOM 283 O ASN A 21 2.161 -10.964 1.895 1.00 65.10 O ATOM 284 CB ASN A 21 5.142 -10.861 0.421 1.00 74.14 C ATOM 285 CG ASN A 21 4.788 -12.309 0.145 1.00 23.34 C ATOM 286 OD1 ASN A 21 4.432 -12.632 -0.986 1.00 62.21 O ATOM 287 ND2 ASN A 21 4.901 -13.188 1.120 1.00 53.10 N ATOM 0 H ASN A 21 5.174 -8.413 0.310 1.00 55.02 H new ATOM 0 HA ASN A 21 3.184 -10.296 -0.247 1.00 1.32 H new ATOM 0 HB2 ASN A 21 5.763 -10.472 -0.386 1.00 74.14 H new ATOM 0 HB3 ASN A 21 5.728 -10.792 1.337 1.00 74.14 H new ATOM 0 HD21 ASN A 21 4.690 -14.171 0.947 1.00 53.10 H new ATOM 0 HD22 ASN A 21 5.199 -12.886 2.047 1.00 53.10 H new ATOM 294 N SER A 22 3.724 -9.759 2.973 1.00 51.11 N ATOM 295 CA SER A 22 3.171 -9.945 4.304 1.00 74.12 C ATOM 296 C SER A 22 1.749 -9.389 4.343 1.00 41.42 C ATOM 297 O SER A 22 0.834 -10.041 4.847 1.00 42.33 O ATOM 298 CB SER A 22 4.093 -9.257 5.311 1.00 21.11 C ATOM 299 OG SER A 22 5.381 -9.842 5.266 1.00 33.22 O ATOM 0 H SER A 22 4.565 -9.182 2.957 1.00 51.11 H new ATOM 0 HA SER A 22 3.112 -11.002 4.564 1.00 74.12 H new ATOM 0 HB2 SER A 22 4.160 -8.192 5.087 1.00 21.11 H new ATOM 0 HB3 SER A 22 3.679 -9.346 6.315 1.00 21.11 H new ATOM 0 HG SER A 22 5.948 -9.338 4.645 1.00 33.22 H new ATOM 305 N PHE A 23 1.547 -8.190 3.784 1.00 4.15 N ATOM 306 CA PHE A 23 0.232 -7.585 3.756 1.00 63.23 C ATOM 307 C PHE A 23 -0.740 -8.493 3.008 1.00 43.51 C ATOM 308 O PHE A 23 -1.787 -8.828 3.558 1.00 1.11 O ATOM 309 CB PHE A 23 0.283 -6.196 3.113 1.00 75.12 C ATOM 310 CG PHE A 23 -1.091 -5.568 3.024 1.00 51.50 C ATOM 311 CD1 PHE A 23 -1.796 -5.555 1.808 1.00 61.14 C ATOM 312 CD2 PHE A 23 -1.706 -5.069 4.183 1.00 20.14 C ATOM 313 CE1 PHE A 23 -3.083 -5.005 1.740 1.00 45.13 C ATOM 314 CE2 PHE A 23 -3.017 -4.572 4.119 1.00 33.25 C ATOM 315 CZ PHE A 23 -3.709 -4.548 2.902 1.00 73.01 C ATOM 0 H PHE A 23 2.281 -7.630 3.350 1.00 4.15 H new ATOM 0 HA PHE A 23 -0.119 -7.463 4.781 1.00 63.23 H new ATOM 0 HB2 PHE A 23 0.941 -5.550 3.694 1.00 75.12 H new ATOM 0 HB3 PHE A 23 0.713 -6.273 2.114 1.00 75.12 H new ATOM 0 HD1 PHE A 23 -1.343 -5.972 0.921 1.00 61.14 H new ATOM 0 HD2 PHE A 23 -1.172 -5.068 5.122 1.00 20.14 H new ATOM 0 HE1 PHE A 23 -3.591 -4.934 0.789 1.00 45.13 H new ATOM 0 HE2 PHE A 23 -3.496 -4.205 5.015 1.00 33.25 H new ATOM 0 HZ PHE A 23 -4.723 -4.178 2.862 1.00 73.01 H new ATOM 325 N LEU A 24 -0.400 -8.877 1.775 1.00 2.00 N ATOM 326 CA LEU A 24 -1.216 -9.724 0.911 1.00 20.04 C ATOM 327 C LEU A 24 -1.532 -11.078 1.548 1.00 30.11 C ATOM 328 O LEU A 24 -2.686 -11.508 1.485 1.00 33.50 O ATOM 329 CB LEU A 24 -0.526 -9.916 -0.452 1.00 30.03 C ATOM 330 CG LEU A 24 -0.437 -8.652 -1.327 1.00 45.34 C ATOM 331 CD1 LEU A 24 0.421 -8.940 -2.562 1.00 73.31 C ATOM 332 CD2 LEU A 24 -1.802 -8.145 -1.792 1.00 22.44 C ATOM 0 H LEU A 24 0.479 -8.597 1.340 1.00 2.00 H new ATOM 0 HA LEU A 24 -2.168 -9.213 0.764 1.00 20.04 H new ATOM 0 HB2 LEU A 24 0.483 -10.291 -0.281 1.00 30.03 H new ATOM 0 HB3 LEU A 24 -1.062 -10.686 -1.007 1.00 30.03 H new ATOM 0 HG LEU A 24 0.010 -7.876 -0.705 1.00 45.34 H new ATOM 0 HD11 LEU A 24 0.482 -8.044 -3.179 1.00 73.31 H new ATOM 0 HD12 LEU A 24 1.423 -9.234 -2.249 1.00 73.31 H new ATOM 0 HD13 LEU A 24 -0.030 -9.748 -3.138 1.00 73.31 H new ATOM 0 HD21 LEU A 24 -1.670 -7.253 -2.404 1.00 22.44 H new ATOM 0 HD22 LEU A 24 -2.296 -8.918 -2.380 1.00 22.44 H new ATOM 0 HD23 LEU A 24 -2.415 -7.902 -0.924 1.00 22.44 H new ATOM 344 N GLN A 25 -0.554 -11.731 2.179 1.00 1.31 N ATOM 345 CA GLN A 25 -0.735 -13.029 2.818 1.00 25.02 C ATOM 346 C GLN A 25 -1.803 -12.948 3.913 1.00 14.45 C ATOM 347 O GLN A 25 -2.766 -13.719 3.898 1.00 21.23 O ATOM 348 CB GLN A 25 0.600 -13.501 3.423 1.00 25.23 C ATOM 349 CG GLN A 25 1.662 -13.971 2.407 1.00 75.13 C ATOM 350 CD GLN A 25 1.878 -15.485 2.435 1.00 63.51 C ATOM 351 OE1 GLN A 25 2.153 -16.073 3.476 1.00 32.11 O ATOM 352 NE2 GLN A 25 1.680 -16.191 1.331 1.00 64.21 N ATOM 0 H GLN A 25 0.395 -11.366 2.260 1.00 1.31 H new ATOM 0 HA GLN A 25 -1.065 -13.745 2.065 1.00 25.02 H new ATOM 0 HB2 GLN A 25 1.021 -12.685 4.011 1.00 25.23 H new ATOM 0 HB3 GLN A 25 0.396 -14.319 4.114 1.00 25.23 H new ATOM 0 HG2 GLN A 25 1.358 -13.670 1.404 1.00 75.13 H new ATOM 0 HG3 GLN A 25 2.607 -13.470 2.617 1.00 75.13 H new ATOM 0 HE21 GLN A 25 1.451 -15.718 0.457 1.00 64.21 H new ATOM 0 HE22 GLN A 25 1.757 -17.208 1.355 1.00 64.21 H new ATOM 361 N GLY A 26 -1.690 -11.982 4.835 1.00 31.14 N ATOM 362 CA GLY A 26 -2.666 -11.856 5.909 1.00 61.31 C ATOM 363 C GLY A 26 -4.005 -11.339 5.389 1.00 54.44 C ATOM 364 O GLY A 26 -5.058 -11.742 5.892 1.00 0.21 O ATOM 0 H GLY A 26 -0.942 -11.289 4.854 1.00 31.14 H new ATOM 0 HA2 GLY A 26 -2.810 -12.825 6.387 1.00 61.31 H new ATOM 0 HA3 GLY A 26 -2.284 -11.177 6.672 1.00 61.31 H new ATOM 368 N LEU A 27 -3.990 -10.478 4.364 1.00 63.20 N ATOM 369 CA LEU A 27 -5.178 -9.892 3.760 1.00 53.10 C ATOM 370 C LEU A 27 -6.048 -10.943 3.089 1.00 31.12 C ATOM 371 O LEU A 27 -7.265 -10.787 3.138 1.00 71.10 O ATOM 372 CB LEU A 27 -4.787 -8.839 2.719 1.00 75.04 C ATOM 373 CG LEU A 27 -5.976 -8.073 2.106 1.00 0.15 C ATOM 374 CD1 LEU A 27 -6.532 -7.029 3.088 1.00 71.41 C ATOM 375 CD2 LEU A 27 -5.485 -7.427 0.811 1.00 23.04 C ATOM 0 H LEU A 27 -3.124 -10.166 3.925 1.00 63.20 H new ATOM 0 HA LEU A 27 -5.747 -9.429 4.566 1.00 53.10 H new ATOM 0 HB2 LEU A 27 -4.110 -8.122 3.183 1.00 75.04 H new ATOM 0 HB3 LEU A 27 -4.234 -9.327 1.917 1.00 75.04 H new ATOM 0 HG LEU A 27 -6.800 -8.755 1.893 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -7.369 -6.505 2.627 1.00 71.41 H new ATOM 0 HD12 LEU A 27 -6.872 -7.528 3.996 1.00 71.41 H new ATOM 0 HD13 LEU A 27 -5.750 -6.312 3.339 1.00 71.41 H new ATOM 0 HD21 LEU A 27 -6.302 -6.874 0.347 1.00 23.04 H new ATOM 0 HD22 LEU A 27 -4.665 -6.744 1.033 1.00 23.04 H new ATOM 0 HD23 LEU A 27 -5.137 -8.201 0.127 1.00 23.04 H new ATOM 387 N SER A 28 -5.462 -11.984 2.487 1.00 44.22 N ATOM 388 CA SER A 28 -6.242 -13.024 1.825 1.00 24.10 C ATOM 389 C SER A 28 -7.213 -13.669 2.819 1.00 23.33 C ATOM 390 O SER A 28 -8.328 -14.041 2.451 1.00 11.44 O ATOM 391 CB SER A 28 -5.312 -14.047 1.155 1.00 31.43 C ATOM 392 OG SER A 28 -6.001 -14.680 0.093 1.00 54.52 O ATOM 0 H SER A 28 -4.453 -12.124 2.447 1.00 44.22 H new ATOM 0 HA SER A 28 -6.844 -12.579 1.032 1.00 24.10 H new ATOM 0 HB2 SER A 28 -4.417 -13.551 0.779 1.00 31.43 H new ATOM 0 HB3 SER A 28 -4.983 -14.788 1.883 1.00 31.43 H new ATOM 0 HG SER A 28 -5.410 -15.332 -0.338 1.00 54.52 H new ATOM 398 N SER A 29 -6.803 -13.795 4.084 1.00 2.13 N ATOM 399 CA SER A 29 -7.627 -14.362 5.135 1.00 33.50 C ATOM 400 C SER A 29 -8.659 -13.338 5.640 1.00 33.40 C ATOM 401 O SER A 29 -9.765 -13.721 6.030 1.00 64.24 O ATOM 402 CB SER A 29 -6.698 -14.830 6.259 1.00 33.32 C ATOM 403 OG SER A 29 -5.906 -15.919 5.825 1.00 3.13 O ATOM 0 H SER A 29 -5.880 -13.501 4.402 1.00 2.13 H new ATOM 0 HA SER A 29 -8.196 -15.210 4.754 1.00 33.50 H new ATOM 0 HB2 SER A 29 -6.055 -14.008 6.574 1.00 33.32 H new ATOM 0 HB3 SER A 29 -7.287 -15.124 7.127 1.00 33.32 H new ATOM 0 HG SER A 29 -5.317 -16.206 6.554 1.00 3.13 H new ATOM 409 N MET A 30 -8.325 -12.046 5.637 1.00 54.34 N ATOM 410 CA MET A 30 -9.197 -10.966 6.098 1.00 54.22 C ATOM 411 C MET A 30 -10.444 -10.809 5.212 1.00 62.22 C ATOM 412 O MET A 30 -10.444 -11.214 4.053 1.00 63.40 O ATOM 413 CB MET A 30 -8.384 -9.661 6.180 1.00 21.44 C ATOM 414 CG MET A 30 -7.341 -9.759 7.294 1.00 2.54 C ATOM 415 SD MET A 30 -7.987 -9.884 8.978 1.00 53.34 S ATOM 416 CE MET A 30 -8.265 -8.135 9.293 1.00 31.20 C ATOM 0 H MET A 30 -7.419 -11.715 5.306 1.00 54.34 H new ATOM 0 HA MET A 30 -9.568 -11.216 7.092 1.00 54.22 H new ATOM 0 HB2 MET A 30 -7.892 -9.470 5.226 1.00 21.44 H new ATOM 0 HB3 MET A 30 -9.051 -8.820 6.369 1.00 21.44 H new ATOM 0 HG2 MET A 30 -6.714 -10.629 7.101 1.00 2.54 H new ATOM 0 HG3 MET A 30 -6.696 -8.882 7.238 1.00 2.54 H new ATOM 0 HE1 MET A 30 -8.024 -7.910 10.332 1.00 31.20 H new ATOM 0 HE2 MET A 30 -7.629 -7.541 8.636 1.00 31.20 H new ATOM 0 HE3 MET A 30 -9.310 -7.893 9.102 1.00 31.20 H new ATOM 426 N PRO A 31 -11.512 -10.158 5.708 1.00 52.10 N ATOM 427 CA PRO A 31 -12.760 -9.959 4.965 1.00 62.32 C ATOM 428 C PRO A 31 -12.698 -8.811 3.942 1.00 11.14 C ATOM 429 O PRO A 31 -13.725 -8.409 3.390 1.00 34.21 O ATOM 430 CB PRO A 31 -13.805 -9.715 6.056 1.00 52.54 C ATOM 431 CG PRO A 31 -13.027 -9.012 7.160 1.00 42.42 C ATOM 432 CD PRO A 31 -11.633 -9.622 7.058 1.00 35.44 C ATOM 0 HA PRO A 31 -12.994 -10.822 4.342 1.00 62.32 H new ATOM 0 HB2 PRO A 31 -14.626 -9.098 5.691 1.00 52.54 H new ATOM 0 HB3 PRO A 31 -14.241 -10.650 6.408 1.00 52.54 H new ATOM 0 HG2 PRO A 31 -13.005 -7.933 7.010 1.00 42.42 H new ATOM 0 HG3 PRO A 31 -13.472 -9.189 8.139 1.00 42.42 H new ATOM 0 HD2 PRO A 31 -10.866 -8.871 7.247 1.00 35.44 H new ATOM 0 HD3 PRO A 31 -11.499 -10.408 7.801 1.00 35.44 H new ATOM 440 N GLY A 32 -11.512 -8.244 3.722 1.00 34.55 N ATOM 441 CA GLY A 32 -11.284 -7.147 2.797 1.00 62.12 C ATOM 442 C GLY A 32 -11.469 -7.607 1.356 1.00 32.01 C ATOM 443 O GLY A 32 -12.426 -7.228 0.680 1.00 71.21 O ATOM 0 H GLY A 32 -10.663 -8.548 4.199 1.00 34.55 H new ATOM 0 HA2 GLY A 32 -11.974 -6.332 3.015 1.00 62.12 H new ATOM 0 HA3 GLY A 32 -10.276 -6.755 2.932 1.00 62.12 H new ATOM 447 N PHE A 33 -10.503 -8.374 0.863 1.00 53.21 N ATOM 448 CA PHE A 33 -10.493 -8.913 -0.492 1.00 41.41 C ATOM 449 C PHE A 33 -10.662 -10.434 -0.434 1.00 11.44 C ATOM 450 O PHE A 33 -10.677 -11.023 0.649 1.00 13.33 O ATOM 451 CB PHE A 33 -9.179 -8.508 -1.175 1.00 75.11 C ATOM 452 CG PHE A 33 -9.007 -7.025 -1.444 1.00 2.51 C ATOM 453 CD1 PHE A 33 -8.546 -6.171 -0.424 1.00 31.13 C ATOM 454 CD2 PHE A 33 -9.252 -6.497 -2.727 1.00 40.24 C ATOM 455 CE1 PHE A 33 -8.280 -4.824 -0.702 1.00 13.25 C ATOM 456 CE2 PHE A 33 -9.041 -5.132 -2.985 1.00 3.33 C ATOM 457 CZ PHE A 33 -8.546 -4.295 -1.974 1.00 32.14 C ATOM 0 H PHE A 33 -9.685 -8.645 1.408 1.00 53.21 H new ATOM 0 HA PHE A 33 -11.320 -8.510 -1.077 1.00 41.41 H new ATOM 0 HB2 PHE A 33 -8.349 -8.844 -0.553 1.00 75.11 H new ATOM 0 HB3 PHE A 33 -9.104 -9.041 -2.123 1.00 75.11 H new ATOM 0 HD1 PHE A 33 -8.397 -6.555 0.574 1.00 31.13 H new ATOM 0 HD2 PHE A 33 -9.604 -7.145 -3.516 1.00 40.24 H new ATOM 0 HE1 PHE A 33 -7.868 -4.189 0.068 1.00 13.25 H new ATOM 0 HE2 PHE A 33 -9.260 -4.727 -3.962 1.00 3.33 H new ATOM 0 HZ PHE A 33 -8.370 -3.248 -2.174 1.00 32.14 H new ATOM 467 N THR A 34 -10.783 -11.060 -1.597 1.00 1.22 N ATOM 468 CA THR A 34 -10.948 -12.492 -1.794 1.00 52.01 C ATOM 469 C THR A 34 -9.703 -13.011 -2.523 1.00 75.35 C ATOM 470 O THR A 34 -8.956 -12.213 -3.102 1.00 3.34 O ATOM 471 CB THR A 34 -12.219 -12.695 -2.637 1.00 44.11 C ATOM 472 OG1 THR A 34 -12.062 -11.951 -3.828 1.00 53.42 O ATOM 473 CG2 THR A 34 -13.481 -12.210 -1.909 1.00 13.50 C ATOM 0 H THR A 34 -10.768 -10.550 -2.480 1.00 1.22 H new ATOM 0 HA THR A 34 -11.053 -13.035 -0.855 1.00 52.01 H new ATOM 0 HB THR A 34 -12.345 -13.760 -2.833 1.00 44.11 H new ATOM 0 HG1 THR A 34 -12.857 -12.061 -4.390 1.00 53.42 H new ATOM 0 HG21 THR A 34 -14.352 -12.374 -2.543 1.00 13.50 H new ATOM 0 HG22 THR A 34 -13.600 -12.765 -0.978 1.00 13.50 H new ATOM 0 HG23 THR A 34 -13.388 -11.147 -1.688 1.00 13.50 H new ATOM 481 N ALA A 35 -9.492 -14.332 -2.551 1.00 25.12 N ATOM 482 CA ALA A 35 -8.334 -14.923 -3.217 1.00 24.13 C ATOM 483 C ALA A 35 -8.231 -14.492 -4.691 1.00 31.04 C ATOM 484 O ALA A 35 -7.134 -14.184 -5.150 1.00 64.00 O ATOM 485 CB ALA A 35 -8.361 -16.440 -3.053 1.00 1.53 C ATOM 0 H ALA A 35 -10.115 -15.013 -2.116 1.00 25.12 H new ATOM 0 HA ALA A 35 -7.430 -14.547 -2.738 1.00 24.13 H new ATOM 0 HB1 ALA A 35 -7.495 -16.875 -3.552 1.00 1.53 H new ATOM 0 HB2 ALA A 35 -8.334 -16.692 -1.993 1.00 1.53 H new ATOM 0 HB3 ALA A 35 -9.273 -16.838 -3.497 1.00 1.53 H new ATOM 491 N SER A 36 -9.361 -14.384 -5.405 1.00 35.35 N ATOM 492 CA SER A 36 -9.384 -13.970 -6.806 1.00 61.43 C ATOM 493 C SER A 36 -8.728 -12.598 -6.964 1.00 4.04 C ATOM 494 O SER A 36 -7.922 -12.374 -7.866 1.00 23.42 O ATOM 495 CB SER A 36 -10.837 -13.925 -7.316 1.00 14.53 C ATOM 496 OG SER A 36 -10.904 -14.055 -8.724 1.00 22.31 O ATOM 0 H SER A 36 -10.285 -14.583 -5.021 1.00 35.35 H new ATOM 0 HA SER A 36 -8.823 -14.694 -7.397 1.00 61.43 H new ATOM 0 HB2 SER A 36 -11.411 -14.726 -6.849 1.00 14.53 H new ATOM 0 HB3 SER A 36 -11.299 -12.985 -7.015 1.00 14.53 H new ATOM 0 HG SER A 36 -11.840 -14.024 -9.011 1.00 22.31 H new ATOM 502 N GLN A 37 -9.083 -11.649 -6.099 1.00 65.34 N ATOM 503 CA GLN A 37 -8.534 -10.305 -6.154 1.00 32.41 C ATOM 504 C GLN A 37 -7.076 -10.314 -5.708 1.00 24.13 C ATOM 505 O GLN A 37 -6.264 -9.584 -6.271 1.00 50.13 O ATOM 506 CB GLN A 37 -9.411 -9.365 -5.323 1.00 31.11 C ATOM 507 CG GLN A 37 -10.893 -9.380 -5.744 1.00 13.01 C ATOM 508 CD GLN A 37 -11.140 -8.910 -7.175 1.00 30.14 C ATOM 509 OE1 GLN A 37 -10.755 -9.575 -8.138 1.00 54.44 O ATOM 510 NE2 GLN A 37 -11.773 -7.766 -7.350 1.00 74.03 N ATOM 0 H GLN A 37 -9.756 -11.794 -5.346 1.00 65.34 H new ATOM 0 HA GLN A 37 -8.540 -9.933 -7.179 1.00 32.41 H new ATOM 0 HB2 GLN A 37 -9.337 -9.645 -4.272 1.00 31.11 H new ATOM 0 HB3 GLN A 37 -9.026 -8.349 -5.410 1.00 31.11 H new ATOM 0 HG2 GLN A 37 -11.280 -10.393 -5.634 1.00 13.01 H new ATOM 0 HG3 GLN A 37 -11.460 -8.746 -5.062 1.00 13.01 H new ATOM 0 HE21 GLN A 37 -12.085 -7.227 -6.542 1.00 74.03 H new ATOM 0 HE22 GLN A 37 -11.950 -7.420 -8.293 1.00 74.03 H new ATOM 519 N LEU A 38 -6.721 -11.144 -4.726 1.00 33.50 N ATOM 520 CA LEU A 38 -5.363 -11.268 -4.212 1.00 65.04 C ATOM 521 C LEU A 38 -4.375 -11.720 -5.300 1.00 73.01 C ATOM 522 O LEU A 38 -3.171 -11.461 -5.164 1.00 33.33 O ATOM 523 CB LEU A 38 -5.342 -12.219 -3.002 1.00 35.14 C ATOM 524 CG LEU A 38 -5.334 -11.570 -1.610 1.00 4.34 C ATOM 525 CD1 LEU A 38 -4.237 -10.520 -1.437 1.00 22.22 C ATOM 526 CD2 LEU A 38 -6.683 -10.969 -1.228 1.00 75.33 C ATOM 0 H LEU A 38 -7.386 -11.760 -4.258 1.00 33.50 H new ATOM 0 HA LEU A 38 -5.034 -10.282 -3.885 1.00 65.04 H new ATOM 0 HB2 LEU A 38 -6.213 -12.871 -3.068 1.00 35.14 H new ATOM 0 HB3 LEU A 38 -4.461 -12.855 -3.085 1.00 35.14 H new ATOM 0 HG LEU A 38 -5.119 -12.395 -0.930 1.00 4.34 H new ATOM 0 HD11 LEU A 38 -4.289 -10.102 -0.432 1.00 22.22 H new ATOM 0 HD12 LEU A 38 -3.262 -10.984 -1.587 1.00 22.22 H new ATOM 0 HD13 LEU A 38 -4.377 -9.724 -2.168 1.00 22.22 H new ATOM 0 HD21 LEU A 38 -6.615 -10.525 -0.235 1.00 75.33 H new ATOM 0 HD22 LEU A 38 -6.957 -10.201 -1.951 1.00 75.33 H new ATOM 0 HD23 LEU A 38 -7.442 -11.751 -1.225 1.00 75.33 H new ATOM 538 N ASP A 39 -4.852 -12.398 -6.348 1.00 53.01 N ATOM 539 CA ASP A 39 -4.036 -12.869 -7.461 1.00 22.25 C ATOM 540 C ASP A 39 -3.602 -11.659 -8.291 1.00 64.22 C ATOM 541 O ASP A 39 -2.408 -11.506 -8.558 1.00 50.52 O ATOM 542 CB ASP A 39 -4.799 -13.880 -8.334 1.00 13.41 C ATOM 543 CG ASP A 39 -4.956 -15.259 -7.692 1.00 22.20 C ATOM 544 OD1 ASP A 39 -5.875 -16.008 -8.095 1.00 71.33 O ATOM 545 OD2 ASP A 39 -4.136 -15.622 -6.818 1.00 74.10 O ATOM 0 H ASP A 39 -5.839 -12.638 -6.444 1.00 53.01 H new ATOM 0 HA ASP A 39 -3.161 -13.387 -7.068 1.00 22.25 H new ATOM 0 HB2 ASP A 39 -5.788 -13.479 -8.557 1.00 13.41 H new ATOM 0 HB3 ASP A 39 -4.278 -13.990 -9.285 1.00 13.41 H new ATOM 550 N ASP A 40 -4.542 -10.784 -8.673 1.00 41.44 N ATOM 551 CA ASP A 40 -4.240 -9.577 -9.460 1.00 44.51 C ATOM 552 C ASP A 40 -3.375 -8.643 -8.623 1.00 32.50 C ATOM 553 O ASP A 40 -2.354 -8.139 -9.084 1.00 34.52 O ATOM 554 CB ASP A 40 -5.503 -8.821 -9.901 1.00 30.32 C ATOM 555 CG ASP A 40 -5.170 -7.809 -11.007 1.00 64.25 C ATOM 556 OD1 ASP A 40 -4.791 -8.285 -12.104 1.00 25.12 O ATOM 557 OD2 ASP A 40 -5.367 -6.582 -10.847 1.00 63.31 O ATOM 0 H ASP A 40 -5.531 -10.891 -8.447 1.00 41.44 H new ATOM 0 HA ASP A 40 -3.720 -9.900 -10.362 1.00 44.51 H new ATOM 0 HB2 ASP A 40 -6.250 -9.529 -10.261 1.00 30.32 H new ATOM 0 HB3 ASP A 40 -5.940 -8.304 -9.047 1.00 30.32 H new ATOM 562 N LEU A 41 -3.734 -8.504 -7.340 1.00 5.34 N ATOM 563 CA LEU A 41 -3.039 -7.667 -6.368 1.00 45.01 C ATOM 564 C LEU A 41 -1.557 -8.032 -6.274 1.00 14.13 C ATOM 565 O LEU A 41 -0.740 -7.170 -5.947 1.00 21.42 O ATOM 566 CB LEU A 41 -3.716 -7.764 -4.995 1.00 71.12 C ATOM 567 CG LEU A 41 -4.642 -6.600 -4.611 1.00 74.03 C ATOM 568 CD1 LEU A 41 -3.853 -5.307 -4.391 1.00 44.55 C ATOM 569 CD2 LEU A 41 -5.799 -6.353 -5.578 1.00 10.31 C ATOM 0 H LEU A 41 -4.540 -8.987 -6.944 1.00 5.34 H new ATOM 0 HA LEU A 41 -3.100 -6.634 -6.710 1.00 45.01 H new ATOM 0 HB2 LEU A 41 -4.295 -8.687 -4.963 1.00 71.12 H new ATOM 0 HB3 LEU A 41 -2.939 -7.849 -4.235 1.00 71.12 H new ATOM 0 HG LEU A 41 -5.100 -6.915 -3.674 1.00 74.03 H new ATOM 0 HD11 LEU A 41 -4.539 -4.504 -4.121 1.00 44.55 H new ATOM 0 HD12 LEU A 41 -3.131 -5.454 -3.588 1.00 44.55 H new ATOM 0 HD13 LEU A 41 -3.327 -5.042 -5.308 1.00 44.55 H new ATOM 0 HD21 LEU A 41 -6.396 -5.513 -5.224 1.00 10.31 H new ATOM 0 HD22 LEU A 41 -5.404 -6.125 -6.568 1.00 10.31 H new ATOM 0 HD23 LEU A 41 -6.424 -7.245 -5.633 1.00 10.31 H new ATOM 581 N SER A 42 -1.207 -9.297 -6.504 1.00 63.10 N ATOM 582 CA SER A 42 0.176 -9.741 -6.471 1.00 34.11 C ATOM 583 C SER A 42 0.935 -9.112 -7.649 1.00 32.31 C ATOM 584 O SER A 42 2.069 -8.674 -7.465 1.00 40.24 O ATOM 585 CB SER A 42 0.205 -11.266 -6.463 1.00 53.52 C ATOM 586 OG SER A 42 -0.384 -11.732 -5.263 1.00 71.44 O ATOM 0 H SER A 42 -1.876 -10.037 -6.717 1.00 63.10 H new ATOM 0 HA SER A 42 0.683 -9.412 -5.564 1.00 34.11 H new ATOM 0 HB2 SER A 42 -0.336 -11.657 -7.325 1.00 53.52 H new ATOM 0 HB3 SER A 42 1.232 -11.623 -6.542 1.00 53.52 H new ATOM 0 HG SER A 42 -1.356 -11.617 -5.310 1.00 71.44 H new ATOM 592 N THR A 43 0.327 -9.033 -8.840 1.00 21.54 N ATOM 593 CA THR A 43 0.949 -8.423 -10.011 1.00 25.03 C ATOM 594 C THR A 43 1.094 -6.914 -9.743 1.00 54.43 C ATOM 595 O THR A 43 2.098 -6.314 -10.122 1.00 11.44 O ATOM 596 CB THR A 43 0.110 -8.716 -11.268 1.00 25.44 C ATOM 597 OG1 THR A 43 -0.049 -10.112 -11.476 1.00 1.23 O ATOM 598 CG2 THR A 43 0.774 -8.199 -12.543 1.00 65.24 C ATOM 0 H THR A 43 -0.612 -9.392 -9.014 1.00 21.54 H new ATOM 0 HA THR A 43 1.939 -8.843 -10.191 1.00 25.03 H new ATOM 0 HB THR A 43 -0.842 -8.218 -11.087 1.00 25.44 H new ATOM 0 HG1 THR A 43 -0.588 -10.264 -12.281 1.00 1.23 H new ATOM 0 HG21 THR A 43 0.143 -8.430 -13.401 1.00 65.24 H new ATOM 0 HG22 THR A 43 0.908 -7.120 -12.471 1.00 65.24 H new ATOM 0 HG23 THR A 43 1.745 -8.678 -12.667 1.00 65.24 H new ATOM 606 N ILE A 44 0.122 -6.289 -9.064 1.00 22.53 N ATOM 607 CA ILE A 44 0.153 -4.865 -8.720 1.00 44.22 C ATOM 608 C ILE A 44 1.384 -4.647 -7.831 1.00 72.40 C ATOM 609 O ILE A 44 2.230 -3.801 -8.123 1.00 33.11 O ATOM 610 CB ILE A 44 -1.176 -4.435 -8.049 1.00 52.04 C ATOM 611 CG1 ILE A 44 -2.363 -4.666 -9.015 1.00 52.12 C ATOM 612 CG2 ILE A 44 -1.130 -2.972 -7.567 1.00 52.43 C ATOM 613 CD1 ILE A 44 -3.743 -4.385 -8.410 1.00 1.20 C ATOM 0 H ILE A 44 -0.717 -6.766 -8.735 1.00 22.53 H new ATOM 0 HA ILE A 44 0.240 -4.236 -9.606 1.00 44.22 H new ATOM 0 HB ILE A 44 -1.319 -5.056 -7.165 1.00 52.04 H new ATOM 0 HG12 ILE A 44 -2.229 -4.032 -9.892 1.00 52.12 H new ATOM 0 HG13 ILE A 44 -2.336 -5.699 -9.362 1.00 52.12 H new ATOM 0 HG21 ILE A 44 -2.081 -2.712 -7.103 1.00 52.43 H new ATOM 0 HG22 ILE A 44 -0.327 -2.854 -6.839 1.00 52.43 H new ATOM 0 HG23 ILE A 44 -0.949 -2.314 -8.417 1.00 52.43 H new ATOM 0 HD11 ILE A 44 -4.513 -4.573 -9.158 1.00 1.20 H new ATOM 0 HD12 ILE A 44 -3.904 -5.037 -7.551 1.00 1.20 H new ATOM 0 HD13 ILE A 44 -3.795 -3.344 -8.090 1.00 1.20 H new ATOM 625 N ALA A 45 1.493 -5.444 -6.763 1.00 1.14 N ATOM 626 CA ALA A 45 2.594 -5.395 -5.817 1.00 0.35 C ATOM 627 C ALA A 45 3.932 -5.558 -6.546 1.00 50.20 C ATOM 628 O ALA A 45 4.835 -4.740 -6.373 1.00 42.13 O ATOM 629 CB ALA A 45 2.372 -6.480 -4.761 1.00 4.35 C ATOM 0 H ALA A 45 0.798 -6.155 -6.534 1.00 1.14 H new ATOM 0 HA ALA A 45 2.628 -4.426 -5.318 1.00 0.35 H new ATOM 0 HB1 ALA A 45 3.190 -6.459 -4.040 1.00 4.35 H new ATOM 0 HB2 ALA A 45 1.429 -6.298 -4.245 1.00 4.35 H new ATOM 0 HB3 ALA A 45 2.339 -7.457 -5.244 1.00 4.35 H new ATOM 635 N GLN A 46 4.063 -6.587 -7.383 1.00 61.01 N ATOM 636 CA GLN A 46 5.281 -6.837 -8.135 1.00 65.02 C ATOM 637 C GLN A 46 5.635 -5.653 -9.040 1.00 44.32 C ATOM 638 O GLN A 46 6.813 -5.304 -9.133 1.00 71.41 O ATOM 639 CB GLN A 46 5.140 -8.144 -8.925 1.00 33.13 C ATOM 640 CG GLN A 46 5.637 -9.354 -8.126 1.00 61.23 C ATOM 641 CD GLN A 46 7.144 -9.280 -7.875 1.00 0.44 C ATOM 642 OE1 GLN A 46 7.932 -9.199 -8.817 1.00 64.54 O ATOM 643 NE2 GLN A 46 7.585 -9.256 -6.627 1.00 31.22 N ATOM 0 H GLN A 46 3.324 -7.268 -7.555 1.00 61.01 H new ATOM 0 HA GLN A 46 6.111 -6.947 -7.437 1.00 65.02 H new ATOM 0 HB2 GLN A 46 4.095 -8.293 -9.196 1.00 33.13 H new ATOM 0 HB3 GLN A 46 5.703 -8.068 -9.855 1.00 33.13 H new ATOM 0 HG2 GLN A 46 5.110 -9.403 -7.173 1.00 61.23 H new ATOM 0 HG3 GLN A 46 5.402 -10.270 -8.668 1.00 61.23 H new ATOM 0 HE21 GLN A 46 6.926 -9.324 -5.852 1.00 31.22 H new ATOM 0 HE22 GLN A 46 8.584 -9.170 -6.441 1.00 31.22 H new ATOM 652 N SER A 47 4.653 -5.011 -9.679 1.00 61.10 N ATOM 653 CA SER A 47 4.875 -3.859 -10.547 1.00 71.51 C ATOM 654 C SER A 47 5.616 -2.755 -9.776 1.00 75.22 C ATOM 655 O SER A 47 6.528 -2.127 -10.323 1.00 3.33 O ATOM 656 CB SER A 47 3.525 -3.351 -11.072 1.00 64.11 C ATOM 657 OG SER A 47 3.524 -3.230 -12.481 1.00 53.14 O ATOM 0 H SER A 47 3.672 -5.282 -9.605 1.00 61.10 H new ATOM 0 HA SER A 47 5.493 -4.151 -11.396 1.00 71.51 H new ATOM 0 HB2 SER A 47 2.734 -4.035 -10.765 1.00 64.11 H new ATOM 0 HB3 SER A 47 3.301 -2.383 -10.623 1.00 64.11 H new ATOM 0 HG SER A 47 2.649 -2.906 -12.781 1.00 53.14 H new ATOM 663 N LEU A 48 5.247 -2.539 -8.506 1.00 64.32 N ATOM 664 CA LEU A 48 5.860 -1.540 -7.639 1.00 53.23 C ATOM 665 C LEU A 48 7.305 -1.940 -7.340 1.00 40.54 C ATOM 666 O LEU A 48 8.199 -1.096 -7.461 1.00 44.21 O ATOM 667 CB LEU A 48 5.064 -1.366 -6.330 1.00 43.12 C ATOM 668 CG LEU A 48 3.643 -0.799 -6.524 1.00 31.42 C ATOM 669 CD1 LEU A 48 2.796 -1.033 -5.270 1.00 54.01 C ATOM 670 CD2 LEU A 48 3.672 0.705 -6.820 1.00 21.54 C ATOM 0 H LEU A 48 4.501 -3.065 -8.051 1.00 64.32 H new ATOM 0 HA LEU A 48 5.850 -0.581 -8.156 1.00 53.23 H new ATOM 0 HB2 LEU A 48 4.992 -2.332 -5.831 1.00 43.12 H new ATOM 0 HB3 LEU A 48 5.619 -0.704 -5.666 1.00 43.12 H new ATOM 0 HG LEU A 48 3.205 -1.320 -7.375 1.00 31.42 H new ATOM 0 HD11 LEU A 48 1.797 -0.626 -5.425 1.00 54.01 H new ATOM 0 HD12 LEU A 48 2.726 -2.103 -5.073 1.00 54.01 H new ATOM 0 HD13 LEU A 48 3.262 -0.537 -4.419 1.00 54.01 H new ATOM 0 HD21 LEU A 48 2.653 1.070 -6.951 1.00 21.54 H new ATOM 0 HD22 LEU A 48 4.142 1.230 -5.988 1.00 21.54 H new ATOM 0 HD23 LEU A 48 4.242 0.886 -7.731 1.00 21.54 H new ATOM 682 N VAL A 49 7.543 -3.205 -6.968 1.00 14.42 N ATOM 683 CA VAL A 49 8.871 -3.736 -6.653 1.00 31.24 C ATOM 684 C VAL A 49 9.819 -3.533 -7.838 1.00 65.34 C ATOM 685 O VAL A 49 10.943 -3.073 -7.630 1.00 30.33 O ATOM 686 CB VAL A 49 8.778 -5.220 -6.219 1.00 72.44 C ATOM 687 CG1 VAL A 49 10.153 -5.868 -5.986 1.00 65.01 C ATOM 688 CG2 VAL A 49 7.978 -5.369 -4.919 1.00 52.13 C ATOM 0 H VAL A 49 6.801 -3.899 -6.877 1.00 14.42 H new ATOM 0 HA VAL A 49 9.285 -3.185 -5.809 1.00 31.24 H new ATOM 0 HB VAL A 49 8.280 -5.726 -7.046 1.00 72.44 H new ATOM 0 HG11 VAL A 49 10.019 -6.907 -5.684 1.00 65.01 H new ATOM 0 HG12 VAL A 49 10.734 -5.830 -6.907 1.00 65.01 H new ATOM 0 HG13 VAL A 49 10.682 -5.327 -5.201 1.00 65.01 H new ATOM 0 HG21 VAL A 49 7.930 -6.422 -4.640 1.00 52.13 H new ATOM 0 HG22 VAL A 49 8.466 -4.805 -4.125 1.00 52.13 H new ATOM 0 HG23 VAL A 49 6.968 -4.987 -5.067 1.00 52.13 H new ATOM 698 N GLN A 50 9.374 -3.826 -9.068 1.00 63.24 N ATOM 699 CA GLN A 50 10.183 -3.681 -10.278 1.00 31.13 C ATOM 700 C GLN A 50 10.819 -2.292 -10.347 1.00 4.33 C ATOM 701 O GLN A 50 12.035 -2.177 -10.519 1.00 64.11 O ATOM 702 CB GLN A 50 9.334 -3.883 -11.540 1.00 54.12 C ATOM 703 CG GLN A 50 8.865 -5.314 -11.836 1.00 31.13 C ATOM 704 CD GLN A 50 7.874 -5.335 -13.006 1.00 45.20 C ATOM 705 OE1 GLN A 50 7.736 -4.355 -13.741 1.00 74.54 O ATOM 706 NE2 GLN A 50 7.175 -6.433 -13.225 1.00 63.31 N ATOM 0 H GLN A 50 8.432 -4.174 -9.249 1.00 63.24 H new ATOM 0 HA GLN A 50 10.960 -4.444 -10.233 1.00 31.13 H new ATOM 0 HB2 GLN A 50 8.453 -3.246 -11.462 1.00 54.12 H new ATOM 0 HB3 GLN A 50 9.909 -3.530 -12.396 1.00 54.12 H new ATOM 0 HG2 GLN A 50 9.725 -5.941 -12.071 1.00 31.13 H new ATOM 0 HG3 GLN A 50 8.395 -5.738 -10.949 1.00 31.13 H new ATOM 0 HE21 GLN A 50 7.292 -7.242 -12.615 1.00 63.31 H new ATOM 0 HE22 GLN A 50 6.518 -6.472 -14.004 1.00 63.31 H new ATOM 715 N SER A 51 10.015 -1.234 -10.228 1.00 0.25 N ATOM 716 CA SER A 51 10.532 0.123 -10.292 1.00 65.53 C ATOM 717 C SER A 51 11.439 0.437 -9.101 1.00 0.43 C ATOM 718 O SER A 51 12.442 1.130 -9.285 1.00 71.43 O ATOM 719 CB SER A 51 9.378 1.114 -10.372 1.00 1.54 C ATOM 720 OG SER A 51 8.425 0.754 -11.359 1.00 4.33 O ATOM 0 H SER A 51 9.007 -1.296 -10.087 1.00 0.25 H new ATOM 0 HA SER A 51 11.140 0.214 -11.192 1.00 65.53 H new ATOM 0 HB2 SER A 51 8.887 1.175 -9.401 1.00 1.54 H new ATOM 0 HB3 SER A 51 9.770 2.107 -10.594 1.00 1.54 H new ATOM 0 HG SER A 51 7.703 1.416 -11.373 1.00 4.33 H new ATOM 726 N ILE A 52 11.126 -0.054 -7.892 1.00 35.21 N ATOM 727 CA ILE A 52 11.973 0.214 -6.732 1.00 31.13 C ATOM 728 C ILE A 52 13.373 -0.349 -7.008 1.00 61.11 C ATOM 729 O ILE A 52 14.335 0.314 -6.633 1.00 10.54 O ATOM 730 CB ILE A 52 11.356 -0.282 -5.401 1.00 20.25 C ATOM 731 CG1 ILE A 52 10.039 0.462 -5.076 1.00 73.20 C ATOM 732 CG2 ILE A 52 12.335 -0.039 -4.234 1.00 15.30 C ATOM 733 CD1 ILE A 52 9.234 -0.178 -3.938 1.00 42.34 C ATOM 0 H ILE A 52 10.306 -0.629 -7.699 1.00 35.21 H new ATOM 0 HA ILE A 52 12.054 1.292 -6.590 1.00 31.13 H new ATOM 0 HB ILE A 52 11.154 -1.347 -5.520 1.00 20.25 H new ATOM 0 HG12 ILE A 52 10.271 1.493 -4.810 1.00 73.20 H new ATOM 0 HG13 ILE A 52 9.420 0.496 -5.973 1.00 73.20 H new ATOM 0 HG21 ILE A 52 11.888 -0.392 -3.305 1.00 15.30 H new ATOM 0 HG22 ILE A 52 13.263 -0.580 -4.419 1.00 15.30 H new ATOM 0 HG23 ILE A 52 12.546 1.027 -4.152 1.00 15.30 H new ATOM 0 HD11 ILE A 52 8.325 0.398 -3.767 1.00 42.34 H new ATOM 0 HD12 ILE A 52 8.970 -1.200 -4.209 1.00 42.34 H new ATOM 0 HD13 ILE A 52 9.834 -0.187 -3.028 1.00 42.34 H new ATOM 745 N GLN A 53 13.515 -1.510 -7.668 1.00 54.31 N ATOM 746 CA GLN A 53 14.828 -2.080 -7.980 1.00 64.11 C ATOM 747 C GLN A 53 15.613 -1.075 -8.824 1.00 25.13 C ATOM 748 O GLN A 53 16.738 -0.718 -8.480 1.00 73.33 O ATOM 749 CB GLN A 53 14.717 -3.394 -8.773 1.00 52.34 C ATOM 750 CG GLN A 53 14.102 -4.577 -8.018 1.00 21.10 C ATOM 751 CD GLN A 53 13.969 -5.806 -8.918 1.00 61.11 C ATOM 752 OE1 GLN A 53 13.620 -5.704 -10.096 1.00 44.23 O ATOM 753 NE2 GLN A 53 14.238 -6.990 -8.398 1.00 13.43 N ATOM 0 H GLN A 53 12.729 -2.072 -7.996 1.00 54.31 H new ATOM 0 HA GLN A 53 15.331 -2.292 -7.036 1.00 64.11 H new ATOM 0 HB2 GLN A 53 14.121 -3.208 -9.667 1.00 52.34 H new ATOM 0 HB3 GLN A 53 15.714 -3.680 -9.108 1.00 52.34 H new ATOM 0 HG2 GLN A 53 14.722 -4.822 -7.155 1.00 21.10 H new ATOM 0 HG3 GLN A 53 13.120 -4.296 -7.636 1.00 21.10 H new ATOM 0 HE21 GLN A 53 14.526 -7.065 -7.422 1.00 13.43 H new ATOM 0 HE22 GLN A 53 14.158 -7.829 -8.972 1.00 13.43 H new ATOM 762 N SER A 54 15.002 -0.596 -9.910 1.00 1.34 N ATOM 763 CA SER A 54 15.591 0.357 -10.836 1.00 3.02 C ATOM 764 C SER A 54 16.091 1.608 -10.112 1.00 54.10 C ATOM 765 O SER A 54 17.238 2.016 -10.304 1.00 71.50 O ATOM 766 CB SER A 54 14.544 0.715 -11.898 1.00 5.10 C ATOM 767 OG SER A 54 14.003 -0.465 -12.468 1.00 21.01 O ATOM 0 H SER A 54 14.056 -0.873 -10.172 1.00 1.34 H new ATOM 0 HA SER A 54 16.460 -0.095 -11.314 1.00 3.02 H new ATOM 0 HB2 SER A 54 13.748 1.309 -11.449 1.00 5.10 H new ATOM 0 HB3 SER A 54 14.999 1.328 -12.676 1.00 5.10 H new ATOM 0 HG SER A 54 13.335 -0.225 -13.143 1.00 21.01 H new ATOM 773 N LEU A 55 15.243 2.215 -9.280 1.00 34.21 N ATOM 774 CA LEU A 55 15.581 3.418 -8.533 1.00 53.52 C ATOM 775 C LEU A 55 16.662 3.142 -7.481 1.00 40.31 C ATOM 776 O LEU A 55 17.607 3.924 -7.345 1.00 44.44 O ATOM 777 CB LEU A 55 14.310 3.991 -7.878 1.00 21.50 C ATOM 778 CG LEU A 55 13.477 4.977 -8.723 1.00 14.23 C ATOM 779 CD1 LEU A 55 14.282 6.214 -9.133 1.00 10.51 C ATOM 780 CD2 LEU A 55 12.836 4.361 -9.969 1.00 74.22 C ATOM 0 H LEU A 55 14.295 1.879 -9.107 1.00 34.21 H new ATOM 0 HA LEU A 55 15.989 4.153 -9.226 1.00 53.52 H new ATOM 0 HB2 LEU A 55 13.667 3.157 -7.597 1.00 21.50 H new ATOM 0 HB3 LEU A 55 14.600 4.495 -6.956 1.00 21.50 H new ATOM 0 HG LEU A 55 12.667 5.270 -8.055 1.00 14.23 H new ATOM 0 HD11 LEU A 55 13.653 6.878 -9.726 1.00 10.51 H new ATOM 0 HD12 LEU A 55 14.623 6.739 -8.240 1.00 10.51 H new ATOM 0 HD13 LEU A 55 15.144 5.907 -9.725 1.00 10.51 H new ATOM 0 HD21 LEU A 55 12.270 5.125 -10.502 1.00 74.22 H new ATOM 0 HD22 LEU A 55 13.615 3.965 -10.621 1.00 74.22 H new ATOM 0 HD23 LEU A 55 12.166 3.554 -9.672 1.00 74.22 H new ATOM 792 N ALA A 56 16.530 2.044 -6.729 1.00 44.14 N ATOM 793 CA ALA A 56 17.475 1.647 -5.692 1.00 71.02 C ATOM 794 C ALA A 56 18.860 1.404 -6.282 1.00 70.15 C ATOM 795 O ALA A 56 19.845 1.782 -5.646 1.00 13.41 O ATOM 796 CB ALA A 56 16.972 0.405 -4.949 1.00 42.21 C ATOM 0 H ALA A 56 15.747 1.398 -6.830 1.00 44.14 H new ATOM 0 HA ALA A 56 17.555 2.464 -4.974 1.00 71.02 H new ATOM 0 HB1 ALA A 56 17.691 0.125 -4.179 1.00 42.21 H new ATOM 0 HB2 ALA A 56 16.010 0.623 -4.485 1.00 42.21 H new ATOM 0 HB3 ALA A 56 16.856 -0.418 -5.654 1.00 42.21 H new ATOM 802 N ALA A 57 18.940 0.866 -7.506 1.00 41.24 N ATOM 803 CA ALA A 57 20.198 0.595 -8.185 1.00 51.43 C ATOM 804 C ALA A 57 21.040 1.871 -8.240 1.00 64.42 C ATOM 805 O ALA A 57 22.211 1.832 -7.867 1.00 1.22 O ATOM 806 CB ALA A 57 19.932 0.041 -9.590 1.00 25.02 C ATOM 0 H ALA A 57 18.119 0.606 -8.053 1.00 41.24 H new ATOM 0 HA ALA A 57 20.756 -0.159 -7.630 1.00 51.43 H new ATOM 0 HB1 ALA A 57 20.881 -0.158 -10.088 1.00 25.02 H new ATOM 0 HB2 ALA A 57 19.361 -0.884 -9.514 1.00 25.02 H new ATOM 0 HB3 ALA A 57 19.365 0.771 -10.168 1.00 25.02 H new ATOM 812 N GLN A 58 20.453 3.007 -8.646 1.00 12.43 N ATOM 813 CA GLN A 58 21.203 4.261 -8.701 1.00 31.43 C ATOM 814 C GLN A 58 21.304 4.933 -7.327 1.00 42.13 C ATOM 815 O GLN A 58 22.177 5.781 -7.147 1.00 53.42 O ATOM 816 CB GLN A 58 20.706 5.218 -9.793 1.00 21.14 C ATOM 817 CG GLN A 58 19.284 5.736 -9.570 1.00 0.33 C ATOM 818 CD GLN A 58 18.878 6.813 -10.581 1.00 43.23 C ATOM 819 OE1 GLN A 58 19.513 7.022 -11.615 1.00 60.34 O ATOM 820 NE2 GLN A 58 17.841 7.576 -10.296 1.00 1.04 N ATOM 0 H GLN A 58 19.478 3.079 -8.936 1.00 12.43 H new ATOM 0 HA GLN A 58 22.218 3.992 -8.994 1.00 31.43 H new ATOM 0 HB2 GLN A 58 21.386 6.068 -9.853 1.00 21.14 H new ATOM 0 HB3 GLN A 58 20.749 4.708 -10.755 1.00 21.14 H new ATOM 0 HG2 GLN A 58 18.585 4.902 -9.634 1.00 0.33 H new ATOM 0 HG3 GLN A 58 19.204 6.142 -8.562 1.00 0.33 H new ATOM 0 HE21 GLN A 58 17.307 7.413 -9.442 1.00 1.04 H new ATOM 0 HE22 GLN A 58 17.573 8.329 -10.929 1.00 1.04 H new ATOM 829 N GLY A 59 20.412 4.618 -6.381 1.00 2.41 N ATOM 830 CA GLY A 59 20.430 5.188 -5.037 1.00 1.33 C ATOM 831 C GLY A 59 19.999 6.652 -5.016 1.00 31.21 C ATOM 832 O GLY A 59 20.477 7.414 -4.171 1.00 12.14 O ATOM 0 H GLY A 59 19.652 3.954 -6.532 1.00 2.41 H new ATOM 0 HA2 GLY A 59 19.769 4.609 -4.392 1.00 1.33 H new ATOM 0 HA3 GLY A 59 21.435 5.103 -4.623 1.00 1.33 H new ATOM 836 N ARG A 60 19.159 7.071 -5.970 1.00 21.13 N ATOM 837 CA ARG A 60 18.661 8.436 -6.112 1.00 2.35 C ATOM 838 C ARG A 60 17.194 8.358 -6.526 1.00 64.41 C ATOM 839 O ARG A 60 16.920 7.938 -7.650 1.00 60.33 O ATOM 840 CB ARG A 60 19.461 9.205 -7.195 1.00 32.43 C ATOM 841 CG ARG A 60 20.995 9.189 -7.103 1.00 13.23 C ATOM 842 CD ARG A 60 21.595 10.040 -5.983 1.00 31.15 C ATOM 843 NE ARG A 60 23.058 9.888 -5.948 1.00 51.31 N ATOM 844 CZ ARG A 60 23.873 10.281 -4.965 1.00 30.13 C ATOM 845 NH1 ARG A 60 23.406 10.948 -3.917 1.00 50.21 N ATOM 846 NH2 ARG A 60 25.167 10.003 -5.031 1.00 62.30 N ATOM 0 H ARG A 60 18.797 6.443 -6.688 1.00 21.13 H new ATOM 0 HA ARG A 60 18.774 8.967 -5.167 1.00 2.35 H new ATOM 0 HB2 ARG A 60 19.180 8.801 -8.168 1.00 32.43 H new ATOM 0 HB3 ARG A 60 19.136 10.245 -7.175 1.00 32.43 H new ATOM 0 HG2 ARG A 60 21.323 8.158 -6.968 1.00 13.23 H new ATOM 0 HG3 ARG A 60 21.402 9.531 -8.054 1.00 13.23 H new ATOM 0 HD2 ARG A 60 21.336 11.088 -6.136 1.00 31.15 H new ATOM 0 HD3 ARG A 60 21.169 9.743 -5.025 1.00 31.15 H new ATOM 0 HE ARG A 60 23.493 9.438 -6.754 1.00 51.31 H new ATOM 0 HH11 ARG A 60 22.412 11.167 -3.854 1.00 50.21 H new ATOM 0 HH12 ARG A 60 24.041 11.241 -3.175 1.00 50.21 H new ATOM 0 HH21 ARG A 60 25.538 9.490 -5.831 1.00 62.30 H new ATOM 0 HH22 ARG A 60 25.792 10.302 -4.282 1.00 62.30 H new ATOM 860 N THR A 61 16.262 8.762 -5.668 1.00 14.32 N ATOM 861 CA THR A 61 14.833 8.747 -5.968 1.00 63.52 C ATOM 862 C THR A 61 14.237 10.055 -5.480 1.00 34.43 C ATOM 863 O THR A 61 14.421 10.411 -4.312 1.00 35.34 O ATOM 864 CB THR A 61 14.121 7.546 -5.311 1.00 12.43 C ATOM 865 OG1 THR A 61 14.844 6.370 -5.542 1.00 64.22 O ATOM 866 CG2 THR A 61 12.713 7.367 -5.887 1.00 74.01 C ATOM 0 H THR A 61 16.479 9.113 -4.735 1.00 14.32 H new ATOM 0 HA THR A 61 14.692 8.641 -7.044 1.00 63.52 H new ATOM 0 HB THR A 61 14.056 7.744 -4.241 1.00 12.43 H new ATOM 0 HG1 THR A 61 14.384 5.615 -5.119 1.00 64.22 H new ATOM 0 HG21 THR A 61 12.230 6.515 -5.409 1.00 74.01 H new ATOM 0 HG22 THR A 61 12.127 8.267 -5.702 1.00 74.01 H new ATOM 0 HG23 THR A 61 12.779 7.192 -6.961 1.00 74.01 H new ATOM 874 N SER A 62 13.570 10.811 -6.357 1.00 14.23 N ATOM 875 CA SER A 62 12.940 12.066 -5.955 1.00 63.35 C ATOM 876 C SER A 62 11.972 11.760 -4.800 1.00 61.34 C ATOM 877 O SER A 62 11.261 10.752 -4.871 1.00 41.24 O ATOM 878 CB SER A 62 12.244 12.694 -7.161 1.00 63.31 C ATOM 879 OG SER A 62 13.248 13.118 -8.058 1.00 14.33 O ATOM 0 H SER A 62 13.454 10.576 -7.343 1.00 14.23 H new ATOM 0 HA SER A 62 13.673 12.792 -5.603 1.00 63.35 H new ATOM 0 HB2 SER A 62 11.582 11.973 -7.640 1.00 63.31 H new ATOM 0 HB3 SER A 62 11.626 13.537 -6.851 1.00 63.31 H new ATOM 0 HG SER A 62 12.832 13.525 -8.846 1.00 14.33 H new ATOM 885 N PRO A 63 11.912 12.593 -3.751 1.00 15.35 N ATOM 886 CA PRO A 63 11.045 12.335 -2.611 1.00 45.01 C ATOM 887 C PRO A 63 9.578 12.321 -3.018 1.00 14.44 C ATOM 888 O PRO A 63 8.867 11.373 -2.688 1.00 4.45 O ATOM 889 CB PRO A 63 11.383 13.417 -1.578 1.00 54.14 C ATOM 890 CG PRO A 63 11.892 14.562 -2.443 1.00 30.42 C ATOM 891 CD PRO A 63 12.663 13.820 -3.536 1.00 3.52 C ATOM 0 HA PRO A 63 11.212 11.346 -2.184 1.00 45.01 H new ATOM 0 HB2 PRO A 63 10.509 13.708 -0.996 1.00 54.14 H new ATOM 0 HB3 PRO A 63 12.139 13.078 -0.870 1.00 54.14 H new ATOM 0 HG2 PRO A 63 11.076 15.157 -2.852 1.00 30.42 H new ATOM 0 HG3 PRO A 63 12.533 15.243 -1.882 1.00 30.42 H new ATOM 0 HD2 PRO A 63 12.724 14.412 -4.449 1.00 3.52 H new ATOM 0 HD3 PRO A 63 13.686 13.609 -3.225 1.00 3.52 H new ATOM 899 N ASN A 64 9.125 13.298 -3.809 1.00 10.25 N ATOM 900 CA ASN A 64 7.721 13.345 -4.208 1.00 54.43 C ATOM 901 C ASN A 64 7.356 12.150 -5.092 1.00 44.00 C ATOM 902 O ASN A 64 6.214 11.707 -5.078 1.00 33.34 O ATOM 903 CB ASN A 64 7.347 14.695 -4.834 1.00 54.33 C ATOM 904 CG ASN A 64 7.431 15.840 -3.821 1.00 33.53 C ATOM 905 OD1 ASN A 64 8.132 15.753 -2.811 1.00 53.45 O ATOM 906 ND2 ASN A 64 6.730 16.935 -4.040 1.00 63.45 N ATOM 0 H ASN A 64 9.701 14.054 -4.179 1.00 10.25 H new ATOM 0 HA ASN A 64 7.114 13.260 -3.306 1.00 54.43 H new ATOM 0 HB2 ASN A 64 8.012 14.903 -5.672 1.00 54.33 H new ATOM 0 HB3 ASN A 64 6.335 14.640 -5.236 1.00 54.33 H new ATOM 0 HD21 ASN A 64 6.769 17.707 -3.375 1.00 63.45 H new ATOM 0 HD22 ASN A 64 6.149 17.010 -4.875 1.00 63.45 H new ATOM 913 N LYS A 65 8.312 11.616 -5.866 1.00 62.31 N ATOM 914 CA LYS A 65 8.076 10.446 -6.713 1.00 52.22 C ATOM 915 C LYS A 65 7.817 9.265 -5.779 1.00 3.44 C ATOM 916 O LYS A 65 6.825 8.565 -5.936 1.00 51.15 O ATOM 917 CB LYS A 65 9.291 10.188 -7.630 1.00 54.21 C ATOM 918 CG LYS A 65 9.330 8.766 -8.217 1.00 24.34 C ATOM 919 CD LYS A 65 10.595 8.451 -9.024 1.00 44.21 C ATOM 920 CE LYS A 65 10.623 9.069 -10.423 1.00 4.11 C ATOM 921 NZ LYS A 65 11.148 10.445 -10.464 1.00 71.21 N ATOM 0 H LYS A 65 9.262 11.982 -5.920 1.00 62.31 H new ATOM 0 HA LYS A 65 7.219 10.601 -7.369 1.00 52.22 H new ATOM 0 HB2 LYS A 65 9.278 10.909 -8.447 1.00 54.21 H new ATOM 0 HB3 LYS A 65 10.206 10.364 -7.064 1.00 54.21 H new ATOM 0 HG2 LYS A 65 9.244 8.047 -7.402 1.00 24.34 H new ATOM 0 HG3 LYS A 65 8.460 8.626 -8.858 1.00 24.34 H new ATOM 0 HD2 LYS A 65 11.463 8.803 -8.467 1.00 44.21 H new ATOM 0 HD3 LYS A 65 10.692 7.369 -9.116 1.00 44.21 H new ATOM 0 HE2 LYS A 65 11.231 8.440 -11.074 1.00 4.11 H new ATOM 0 HE3 LYS A 65 9.612 9.065 -10.830 1.00 4.11 H new ATOM 0 HZ1 LYS A 65 11.591 10.620 -11.389 1.00 71.21 H new ATOM 0 HZ2 LYS A 65 10.369 11.118 -10.320 1.00 71.21 H new ATOM 0 HZ3 LYS A 65 11.856 10.569 -9.712 1.00 71.21 H new ATOM 935 N LEU A 66 8.714 9.062 -4.810 1.00 20.21 N ATOM 936 CA LEU A 66 8.648 7.991 -3.824 1.00 61.21 C ATOM 937 C LEU A 66 7.309 8.067 -3.074 1.00 21.21 C ATOM 938 O LEU A 66 6.620 7.064 -2.928 1.00 43.42 O ATOM 939 CB LEU A 66 9.891 8.128 -2.924 1.00 23.02 C ATOM 940 CG LEU A 66 10.209 6.927 -2.018 1.00 51.31 C ATOM 941 CD1 LEU A 66 10.662 5.692 -2.802 1.00 22.21 C ATOM 942 CD2 LEU A 66 11.345 7.312 -1.064 1.00 0.23 C ATOM 0 H LEU A 66 9.531 9.661 -4.690 1.00 20.21 H new ATOM 0 HA LEU A 66 8.670 6.998 -4.274 1.00 61.21 H new ATOM 0 HB2 LEU A 66 10.756 8.315 -3.560 1.00 23.02 H new ATOM 0 HB3 LEU A 66 9.762 9.008 -2.294 1.00 23.02 H new ATOM 0 HG LEU A 66 9.290 6.677 -1.488 1.00 51.31 H new ATOM 0 HD11 LEU A 66 10.872 4.878 -2.109 1.00 22.21 H new ATOM 0 HD12 LEU A 66 9.873 5.388 -3.490 1.00 22.21 H new ATOM 0 HD13 LEU A 66 11.564 5.930 -3.366 1.00 22.21 H new ATOM 0 HD21 LEU A 66 11.579 6.467 -0.417 1.00 0.23 H new ATOM 0 HD22 LEU A 66 12.229 7.582 -1.641 1.00 0.23 H new ATOM 0 HD23 LEU A 66 11.036 8.161 -0.455 1.00 0.23 H new ATOM 954 N GLN A 67 6.897 9.273 -2.680 1.00 53.22 N ATOM 955 CA GLN A 67 5.654 9.561 -1.971 1.00 35.24 C ATOM 956 C GLN A 67 4.426 9.221 -2.826 1.00 62.34 C ATOM 957 O GLN A 67 3.413 8.759 -2.291 1.00 62.21 O ATOM 958 CB GLN A 67 5.705 11.048 -1.578 1.00 11.34 C ATOM 959 CG GLN A 67 4.607 11.518 -0.618 1.00 41.14 C ATOM 960 CD GLN A 67 4.828 12.959 -0.158 1.00 32.14 C ATOM 961 OE1 GLN A 67 5.438 13.771 -0.850 1.00 12.01 O ATOM 962 NE2 GLN A 67 4.388 13.316 1.034 1.00 33.35 N ATOM 0 H GLN A 67 7.448 10.113 -2.856 1.00 53.22 H new ATOM 0 HA GLN A 67 5.558 8.941 -1.079 1.00 35.24 H new ATOM 0 HB2 GLN A 67 6.673 11.251 -1.121 1.00 11.34 H new ATOM 0 HB3 GLN A 67 5.649 11.647 -2.487 1.00 11.34 H new ATOM 0 HG2 GLN A 67 3.637 11.439 -1.109 1.00 41.14 H new ATOM 0 HG3 GLN A 67 4.579 10.860 0.251 1.00 41.14 H new ATOM 0 HE21 GLN A 67 3.881 12.646 1.612 1.00 33.35 H new ATOM 0 HE22 GLN A 67 4.555 14.262 1.377 1.00 33.35 H new ATOM 971 N ALA A 68 4.497 9.432 -4.146 1.00 22.52 N ATOM 972 CA ALA A 68 3.400 9.134 -5.054 1.00 52.23 C ATOM 973 C ALA A 68 3.146 7.625 -5.158 1.00 43.43 C ATOM 974 O ALA A 68 2.031 7.238 -5.519 1.00 53.22 O ATOM 975 CB ALA A 68 3.660 9.736 -6.439 1.00 51.21 C ATOM 0 H ALA A 68 5.322 9.815 -4.608 1.00 22.52 H new ATOM 0 HA ALA A 68 2.501 9.592 -4.642 1.00 52.23 H new ATOM 0 HB1 ALA A 68 2.826 9.500 -7.101 1.00 51.21 H new ATOM 0 HB2 ALA A 68 3.760 10.818 -6.353 1.00 51.21 H new ATOM 0 HB3 ALA A 68 4.579 9.319 -6.850 1.00 51.21 H new ATOM 981 N LEU A 69 4.137 6.776 -4.857 1.00 5.52 N ATOM 982 CA LEU A 69 3.990 5.321 -4.918 1.00 4.53 C ATOM 983 C LEU A 69 2.973 4.857 -3.883 1.00 72.31 C ATOM 984 O LEU A 69 2.167 3.978 -4.171 1.00 65.51 O ATOM 985 CB LEU A 69 5.319 4.594 -4.649 1.00 12.11 C ATOM 986 CG LEU A 69 6.503 5.014 -5.535 1.00 54.11 C ATOM 987 CD1 LEU A 69 7.746 4.232 -5.110 1.00 22.44 C ATOM 988 CD2 LEU A 69 6.230 4.808 -7.028 1.00 60.42 C ATOM 0 H LEU A 69 5.065 7.082 -4.564 1.00 5.52 H new ATOM 0 HA LEU A 69 3.656 5.077 -5.926 1.00 4.53 H new ATOM 0 HB2 LEU A 69 5.595 4.755 -3.607 1.00 12.11 H new ATOM 0 HB3 LEU A 69 5.158 3.523 -4.775 1.00 12.11 H new ATOM 0 HG LEU A 69 6.660 6.083 -5.395 1.00 54.11 H new ATOM 0 HD11 LEU A 69 8.591 4.524 -5.734 1.00 22.44 H new ATOM 0 HD12 LEU A 69 7.973 4.449 -4.066 1.00 22.44 H new ATOM 0 HD13 LEU A 69 7.561 3.164 -5.226 1.00 22.44 H new ATOM 0 HD21 LEU A 69 7.101 5.122 -7.604 1.00 60.42 H new ATOM 0 HD22 LEU A 69 6.029 3.754 -7.219 1.00 60.42 H new ATOM 0 HD23 LEU A 69 5.365 5.402 -7.325 1.00 60.42 H new ATOM 1000 N ASN A 70 2.967 5.466 -2.692 1.00 44.21 N ATOM 1001 CA ASN A 70 2.034 5.105 -1.624 1.00 74.23 C ATOM 1002 C ASN A 70 0.611 5.359 -2.108 1.00 13.14 C ATOM 1003 O ASN A 70 -0.303 4.579 -1.848 1.00 41.14 O ATOM 1004 CB ASN A 70 2.262 5.938 -0.357 1.00 4.21 C ATOM 1005 CG ASN A 70 3.693 5.945 0.156 1.00 43.00 C ATOM 1006 OD1 ASN A 70 4.568 6.533 -0.470 1.00 60.22 O ATOM 1007 ND2 ASN A 70 3.955 5.389 1.325 1.00 41.42 N ATOM 0 H ASN A 70 3.607 6.220 -2.444 1.00 44.21 H new ATOM 0 HA ASN A 70 2.196 4.055 -1.381 1.00 74.23 H new ATOM 0 HB2 ASN A 70 1.958 6.966 -0.556 1.00 4.21 H new ATOM 0 HB3 ASN A 70 1.611 5.560 0.431 1.00 4.21 H new ATOM 0 HD21 ASN A 70 4.895 5.446 1.718 1.00 41.42 H new ATOM 0 HD22 ASN A 70 3.218 4.903 1.835 1.00 41.42 H new ATOM 1014 N MET A 71 0.420 6.484 -2.800 1.00 22.42 N ATOM 1015 CA MET A 71 -0.853 6.881 -3.351 1.00 75.15 C ATOM 1016 C MET A 71 -1.250 5.896 -4.453 1.00 32.50 C ATOM 1017 O MET A 71 -2.394 5.461 -4.451 1.00 41.00 O ATOM 1018 CB MET A 71 -0.745 8.338 -3.808 1.00 73.22 C ATOM 1019 CG MET A 71 -1.975 8.797 -4.582 1.00 55.11 C ATOM 1020 SD MET A 71 -2.164 10.597 -4.705 1.00 40.11 S ATOM 1021 CE MET A 71 -0.495 11.105 -5.211 1.00 24.15 C ATOM 0 H MET A 71 1.169 7.150 -2.990 1.00 22.42 H new ATOM 0 HA MET A 71 -1.655 6.843 -2.614 1.00 75.15 H new ATOM 0 HB2 MET A 71 -0.606 8.980 -2.938 1.00 73.22 H new ATOM 0 HB3 MET A 71 0.139 8.455 -4.434 1.00 73.22 H new ATOM 0 HG2 MET A 71 -1.931 8.380 -5.588 1.00 55.11 H new ATOM 0 HG3 MET A 71 -2.863 8.384 -4.104 1.00 55.11 H new ATOM 0 HE1 MET A 71 -0.509 12.152 -5.513 1.00 24.15 H new ATOM 0 HE2 MET A 71 0.193 10.978 -4.375 1.00 24.15 H new ATOM 0 HE3 MET A 71 -0.166 10.490 -6.049 1.00 24.15 H new ATOM 1031 N ALA A 72 -0.326 5.500 -5.341 1.00 33.04 N ATOM 1032 CA ALA A 72 -0.607 4.551 -6.419 1.00 33.44 C ATOM 1033 C ALA A 72 -1.016 3.191 -5.838 1.00 14.45 C ATOM 1034 O ALA A 72 -1.913 2.520 -6.346 1.00 13.24 O ATOM 1035 CB ALA A 72 0.615 4.396 -7.324 1.00 2.31 C ATOM 0 H ALA A 72 0.638 5.832 -5.328 1.00 33.04 H new ATOM 0 HA ALA A 72 -1.433 4.938 -7.015 1.00 33.44 H new ATOM 0 HB1 ALA A 72 0.390 3.687 -8.121 1.00 2.31 H new ATOM 0 HB2 ALA A 72 0.870 5.362 -7.759 1.00 2.31 H new ATOM 0 HB3 ALA A 72 1.457 4.028 -6.738 1.00 2.31 H new ATOM 1041 N PHE A 73 -0.359 2.778 -4.755 1.00 43.25 N ATOM 1042 CA PHE A 73 -0.639 1.532 -4.068 1.00 74.55 C ATOM 1043 C PHE A 73 -2.075 1.574 -3.529 1.00 15.32 C ATOM 1044 O PHE A 73 -2.827 0.603 -3.663 1.00 32.22 O ATOM 1045 CB PHE A 73 0.391 1.363 -2.943 1.00 65.33 C ATOM 1046 CG PHE A 73 0.048 0.270 -1.961 1.00 34.10 C ATOM 1047 CD1 PHE A 73 -0.601 0.578 -0.748 1.00 3.15 C ATOM 1048 CD2 PHE A 73 0.347 -1.063 -2.281 1.00 53.43 C ATOM 1049 CE1 PHE A 73 -0.958 -0.453 0.140 1.00 41.02 C ATOM 1050 CE2 PHE A 73 -0.015 -2.086 -1.396 1.00 63.14 C ATOM 1051 CZ PHE A 73 -0.673 -1.790 -0.189 1.00 42.32 C ATOM 0 H PHE A 73 0.396 3.315 -4.328 1.00 43.25 H new ATOM 0 HA PHE A 73 -0.560 0.677 -4.740 1.00 74.55 H new ATOM 0 HB2 PHE A 73 1.365 1.150 -3.384 1.00 65.33 H new ATOM 0 HB3 PHE A 73 0.485 2.306 -2.404 1.00 65.33 H new ATOM 0 HD1 PHE A 73 -0.824 1.605 -0.501 1.00 3.15 H new ATOM 0 HD2 PHE A 73 0.854 -1.299 -3.205 1.00 53.43 H new ATOM 0 HE1 PHE A 73 -1.450 -0.218 1.072 1.00 41.02 H new ATOM 0 HE2 PHE A 73 0.213 -3.112 -1.643 1.00 63.14 H new ATOM 0 HZ PHE A 73 -0.958 -2.586 0.483 1.00 42.32 H new ATOM 1061 N ALA A 74 -2.454 2.705 -2.920 1.00 64.11 N ATOM 1062 CA ALA A 74 -3.770 2.923 -2.347 1.00 53.41 C ATOM 1063 C ALA A 74 -4.858 3.069 -3.415 1.00 12.22 C ATOM 1064 O ALA A 74 -5.977 2.603 -3.196 1.00 55.41 O ATOM 1065 CB ALA A 74 -3.737 4.150 -1.435 1.00 40.40 C ATOM 0 H ALA A 74 -1.833 3.507 -2.814 1.00 64.11 H new ATOM 0 HA ALA A 74 -4.027 2.040 -1.762 1.00 53.41 H new ATOM 0 HB1 ALA A 74 -4.726 4.311 -1.006 1.00 40.40 H new ATOM 0 HB2 ALA A 74 -3.016 3.988 -0.634 1.00 40.40 H new ATOM 0 HB3 ALA A 74 -3.445 5.026 -2.014 1.00 40.40 H new ATOM 1071 N SER A 75 -4.575 3.684 -4.564 1.00 64.12 N ATOM 1072 CA SER A 75 -5.575 3.835 -5.608 1.00 51.52 C ATOM 1073 C SER A 75 -5.973 2.465 -6.153 1.00 14.12 C ATOM 1074 O SER A 75 -7.157 2.260 -6.416 1.00 34.10 O ATOM 1075 CB SER A 75 -5.101 4.801 -6.693 1.00 43.40 C ATOM 1076 OG SER A 75 -3.811 4.494 -7.146 1.00 22.23 O ATOM 0 H SER A 75 -3.664 4.082 -4.790 1.00 64.12 H new ATOM 0 HA SER A 75 -6.473 4.284 -5.184 1.00 51.52 H new ATOM 0 HB2 SER A 75 -5.796 4.772 -7.532 1.00 43.40 H new ATOM 0 HB3 SER A 75 -5.115 5.819 -6.303 1.00 43.40 H new ATOM 0 HG SER A 75 -3.503 3.667 -6.720 1.00 22.23 H new ATOM 1082 N SER A 76 -5.041 1.509 -6.262 1.00 61.33 N ATOM 1083 CA SER A 76 -5.356 0.170 -6.755 1.00 73.43 C ATOM 1084 C SER A 76 -6.301 -0.537 -5.778 1.00 44.33 C ATOM 1085 O SER A 76 -7.161 -1.308 -6.196 1.00 33.32 O ATOM 1086 CB SER A 76 -4.086 -0.660 -6.938 1.00 43.33 C ATOM 1087 OG SER A 76 -3.324 -0.192 -8.033 1.00 23.22 O ATOM 0 H SER A 76 -4.061 1.643 -6.013 1.00 61.33 H new ATOM 0 HA SER A 76 -5.843 0.270 -7.725 1.00 73.43 H new ATOM 0 HB2 SER A 76 -3.486 -0.617 -6.029 1.00 43.33 H new ATOM 0 HB3 SER A 76 -4.351 -1.705 -7.096 1.00 43.33 H new ATOM 0 HG SER A 76 -2.447 -0.629 -8.032 1.00 23.22 H new ATOM 1093 N LEU A 77 -6.155 -0.285 -4.471 1.00 13.33 N ATOM 1094 CA LEU A 77 -7.016 -0.894 -3.464 1.00 22.25 C ATOM 1095 C LEU A 77 -8.464 -0.462 -3.717 1.00 2.51 C ATOM 1096 O LEU A 77 -9.363 -1.285 -3.595 1.00 74.30 O ATOM 1097 CB LEU A 77 -6.575 -0.498 -2.043 1.00 5.53 C ATOM 1098 CG LEU A 77 -5.237 -1.095 -1.569 1.00 32.14 C ATOM 1099 CD1 LEU A 77 -4.805 -0.471 -0.233 1.00 74.43 C ATOM 1100 CD2 LEU A 77 -5.323 -2.609 -1.368 1.00 25.31 C ATOM 0 H LEU A 77 -5.444 0.340 -4.091 1.00 13.33 H new ATOM 0 HA LEU A 77 -6.939 -1.979 -3.540 1.00 22.25 H new ATOM 0 HB2 LEU A 77 -6.505 0.589 -1.994 1.00 5.53 H new ATOM 0 HB3 LEU A 77 -7.355 -0.799 -1.343 1.00 5.53 H new ATOM 0 HG LEU A 77 -4.510 -0.874 -2.351 1.00 32.14 H new ATOM 0 HD11 LEU A 77 -3.857 -0.907 0.083 1.00 74.43 H new ATOM 0 HD12 LEU A 77 -4.686 0.605 -0.356 1.00 74.43 H new ATOM 0 HD13 LEU A 77 -5.565 -0.668 0.523 1.00 74.43 H new ATOM 0 HD21 LEU A 77 -4.357 -2.987 -1.034 1.00 25.31 H new ATOM 0 HD22 LEU A 77 -6.080 -2.834 -0.617 1.00 25.31 H new ATOM 0 HD23 LEU A 77 -5.593 -3.086 -2.310 1.00 25.31 H new ATOM 1112 N ALA A 78 -8.687 0.816 -4.044 1.00 1.15 N ATOM 1113 CA ALA A 78 -10.000 1.390 -4.326 1.00 23.01 C ATOM 1114 C ALA A 78 -10.534 0.880 -5.664 1.00 52.11 C ATOM 1115 O ALA A 78 -11.678 0.448 -5.742 1.00 14.24 O ATOM 1116 CB ALA A 78 -9.865 2.909 -4.352 1.00 21.43 C ATOM 0 H ALA A 78 -7.932 1.498 -4.121 1.00 1.15 H new ATOM 0 HA ALA A 78 -10.707 1.092 -3.551 1.00 23.01 H new ATOM 0 HB1 ALA A 78 -10.836 3.357 -4.561 1.00 21.43 H new ATOM 0 HB2 ALA A 78 -9.505 3.259 -3.384 1.00 21.43 H new ATOM 0 HB3 ALA A 78 -9.157 3.198 -5.129 1.00 21.43 H new ATOM 1122 N GLU A 79 -9.681 0.867 -6.689 1.00 1.44 N ATOM 1123 CA GLU A 79 -10.013 0.424 -8.037 1.00 33.33 C ATOM 1124 C GLU A 79 -10.559 -1.004 -7.995 1.00 42.43 C ATOM 1125 O GLU A 79 -11.673 -1.247 -8.458 1.00 65.31 O ATOM 1126 CB GLU A 79 -8.751 0.514 -8.914 1.00 25.23 C ATOM 1127 CG GLU A 79 -8.418 1.958 -9.323 1.00 73.22 C ATOM 1128 CD GLU A 79 -7.019 2.169 -9.916 1.00 12.05 C ATOM 1129 OE1 GLU A 79 -6.423 1.214 -10.458 1.00 34.25 O ATOM 1130 OE2 GLU A 79 -6.529 3.329 -9.903 1.00 3.43 O ATOM 0 H GLU A 79 -8.713 1.174 -6.598 1.00 1.44 H new ATOM 0 HA GLU A 79 -10.785 1.063 -8.465 1.00 33.33 H new ATOM 0 HB2 GLU A 79 -7.906 0.089 -8.373 1.00 25.23 H new ATOM 0 HB3 GLU A 79 -8.892 -0.090 -9.810 1.00 25.23 H new ATOM 0 HG2 GLU A 79 -9.157 2.290 -10.052 1.00 73.22 H new ATOM 0 HG3 GLU A 79 -8.523 2.599 -8.448 1.00 73.22 H new ATOM 1137 N ILE A 80 -9.814 -1.934 -7.393 1.00 15.32 N ATOM 1138 CA ILE A 80 -10.226 -3.329 -7.283 1.00 65.43 C ATOM 1139 C ILE A 80 -11.444 -3.448 -6.341 1.00 3.41 C ATOM 1140 O ILE A 80 -12.274 -4.336 -6.534 1.00 31.02 O ATOM 1141 CB ILE A 80 -8.995 -4.192 -6.908 1.00 35.12 C ATOM 1142 CG1 ILE A 80 -7.835 -4.068 -7.933 1.00 63.12 C ATOM 1143 CG2 ILE A 80 -9.359 -5.675 -6.744 1.00 42.24 C ATOM 1144 CD1 ILE A 80 -8.149 -4.498 -9.373 1.00 23.00 C ATOM 0 H ILE A 80 -8.908 -1.737 -6.969 1.00 15.32 H new ATOM 0 HA ILE A 80 -10.579 -3.724 -8.235 1.00 65.43 H new ATOM 0 HB ILE A 80 -8.653 -3.797 -5.952 1.00 35.12 H new ATOM 0 HG12 ILE A 80 -7.504 -3.030 -7.951 1.00 63.12 H new ATOM 0 HG13 ILE A 80 -6.996 -4.664 -7.574 1.00 63.12 H new ATOM 0 HG21 ILE A 80 -8.466 -6.242 -6.481 1.00 42.24 H new ATOM 0 HG22 ILE A 80 -10.102 -5.782 -5.954 1.00 42.24 H new ATOM 0 HG23 ILE A 80 -9.768 -6.055 -7.680 1.00 42.24 H new ATOM 0 HD11 ILE A 80 -7.263 -4.366 -9.994 1.00 23.00 H new ATOM 0 HD12 ILE A 80 -8.446 -5.547 -9.383 1.00 23.00 H new ATOM 0 HD13 ILE A 80 -8.962 -3.887 -9.766 1.00 23.00 H new ATOM 1156 N ALA A 81 -11.588 -2.566 -5.337 1.00 61.51 N ATOM 1157 CA ALA A 81 -12.735 -2.583 -4.426 1.00 44.34 C ATOM 1158 C ALA A 81 -14.012 -2.235 -5.199 1.00 33.13 C ATOM 1159 O ALA A 81 -15.086 -2.705 -4.833 1.00 61.40 O ATOM 1160 CB ALA A 81 -12.544 -1.591 -3.278 1.00 1.40 C ATOM 0 H ALA A 81 -10.914 -1.827 -5.139 1.00 61.51 H new ATOM 0 HA ALA A 81 -12.819 -3.584 -4.002 1.00 44.34 H new ATOM 0 HB1 ALA A 81 -13.411 -1.626 -2.619 1.00 1.40 H new ATOM 0 HB2 ALA A 81 -11.649 -1.854 -2.715 1.00 1.40 H new ATOM 0 HB3 ALA A 81 -12.436 -0.584 -3.681 1.00 1.40 H new ATOM 1166 N ALA A 82 -13.914 -1.389 -6.230 1.00 33.41 N ATOM 1167 CA ALA A 82 -15.058 -1.017 -7.047 1.00 60.33 C ATOM 1168 C ALA A 82 -15.328 -2.125 -8.068 1.00 10.40 C ATOM 1169 O ALA A 82 -16.489 -2.351 -8.419 1.00 51.02 O ATOM 1170 CB ALA A 82 -14.789 0.320 -7.741 1.00 41.42 C ATOM 0 H ALA A 82 -13.040 -0.948 -6.515 1.00 33.41 H new ATOM 0 HA ALA A 82 -15.941 -0.898 -6.419 1.00 60.33 H new ATOM 0 HB1 ALA A 82 -15.650 0.593 -8.351 1.00 41.42 H new ATOM 0 HB2 ALA A 82 -14.617 1.091 -6.990 1.00 41.42 H new ATOM 0 HB3 ALA A 82 -13.908 0.229 -8.376 1.00 41.42 H new ATOM 1176 N SER A 83 -14.287 -2.839 -8.516 1.00 15.32 N ATOM 1177 CA SER A 83 -14.425 -3.928 -9.469 1.00 13.31 C ATOM 1178 C SER A 83 -15.307 -5.023 -8.868 1.00 41.40 C ATOM 1179 O SER A 83 -16.199 -5.516 -9.559 1.00 15.21 O ATOM 1180 CB SER A 83 -13.053 -4.474 -9.862 1.00 54.34 C ATOM 1181 OG SER A 83 -12.265 -3.467 -10.475 1.00 33.24 O ATOM 0 H SER A 83 -13.325 -2.670 -8.221 1.00 15.32 H new ATOM 0 HA SER A 83 -14.902 -3.556 -10.376 1.00 13.31 H new ATOM 0 HB2 SER A 83 -12.541 -4.854 -8.978 1.00 54.34 H new ATOM 0 HB3 SER A 83 -13.174 -5.314 -10.546 1.00 54.34 H new ATOM 0 HG SER A 83 -12.092 -2.749 -9.831 1.00 33.24 H new ATOM 1187 N GLU A 84 -15.104 -5.382 -7.597 1.00 2.32 N ATOM 1188 CA GLU A 84 -15.913 -6.396 -6.942 1.00 43.31 C ATOM 1189 C GLU A 84 -15.975 -6.117 -5.445 1.00 2.33 C ATOM 1190 O GLU A 84 -14.974 -5.728 -4.833 1.00 55.44 O ATOM 1191 CB GLU A 84 -15.367 -7.795 -7.245 1.00 5.54 C ATOM 1192 CG GLU A 84 -16.372 -8.850 -6.775 1.00 0.10 C ATOM 1193 CD GLU A 84 -16.358 -10.082 -7.668 1.00 51.22 C ATOM 1194 OE1 GLU A 84 -16.893 -9.994 -8.800 1.00 52.43 O ATOM 1195 OE2 GLU A 84 -15.918 -11.153 -7.197 1.00 25.20 O ATOM 0 H GLU A 84 -14.379 -4.978 -7.004 1.00 2.32 H new ATOM 0 HA GLU A 84 -16.930 -6.358 -7.331 1.00 43.31 H new ATOM 0 HB2 GLU A 84 -15.185 -7.902 -8.314 1.00 5.54 H new ATOM 0 HB3 GLU A 84 -14.410 -7.940 -6.743 1.00 5.54 H new ATOM 0 HG2 GLU A 84 -16.141 -9.141 -5.750 1.00 0.10 H new ATOM 0 HG3 GLU A 84 -17.373 -8.419 -6.766 1.00 0.10 H new ATOM 1202 N GLU A 85 -17.147 -6.334 -4.848 1.00 12.22 N ATOM 1203 CA GLU A 85 -17.378 -6.107 -3.430 1.00 55.42 C ATOM 1204 C GLU A 85 -16.562 -7.053 -2.534 1.00 74.53 C ATOM 1205 O GLU A 85 -15.991 -8.043 -2.989 1.00 10.11 O ATOM 1206 CB GLU A 85 -18.889 -6.233 -3.142 1.00 23.52 C ATOM 1207 CG GLU A 85 -19.328 -7.699 -2.993 1.00 62.24 C ATOM 1208 CD GLU A 85 -20.833 -7.896 -3.133 1.00 71.23 C ATOM 1209 OE1 GLU A 85 -21.601 -7.394 -2.279 1.00 11.53 O ATOM 1210 OE2 GLU A 85 -21.248 -8.607 -4.078 1.00 32.44 O ATOM 0 H GLU A 85 -17.969 -6.676 -5.345 1.00 12.22 H new ATOM 0 HA GLU A 85 -17.037 -5.101 -3.188 1.00 55.42 H new ATOM 0 HB2 GLU A 85 -19.131 -5.688 -2.229 1.00 23.52 H new ATOM 0 HB3 GLU A 85 -19.452 -5.767 -3.950 1.00 23.52 H new ATOM 0 HG2 GLU A 85 -18.818 -8.302 -3.745 1.00 62.24 H new ATOM 0 HG3 GLU A 85 -19.009 -8.069 -2.018 1.00 62.24 H new ATOM 1217 N GLY A 86 -16.528 -6.767 -1.232 1.00 44.22 N ATOM 1218 CA GLY A 86 -15.839 -7.557 -0.218 1.00 61.31 C ATOM 1219 C GLY A 86 -16.869 -7.911 0.847 1.00 43.11 C ATOM 1220 O GLY A 86 -16.732 -7.510 2.002 1.00 31.54 O ATOM 0 H GLY A 86 -16.997 -5.949 -0.843 1.00 44.22 H new ATOM 0 HA2 GLY A 86 -15.412 -8.459 -0.656 1.00 61.31 H new ATOM 0 HA3 GLY A 86 -15.014 -6.992 0.216 1.00 61.31 H new ATOM 1224 N GLY A 87 -17.954 -8.572 0.443 1.00 31.31 N ATOM 1225 CA GLY A 87 -19.035 -8.967 1.335 1.00 21.42 C ATOM 1226 C GLY A 87 -19.697 -7.740 1.961 1.00 22.33 C ATOM 1227 O GLY A 87 -20.028 -7.760 3.149 1.00 24.15 O ATOM 0 H GLY A 87 -18.105 -8.850 -0.527 1.00 31.31 H new ATOM 0 HA2 GLY A 87 -19.777 -9.544 0.782 1.00 21.42 H new ATOM 0 HA3 GLY A 87 -18.646 -9.616 2.120 1.00 21.42 H new ATOM 1231 N GLY A 88 -19.821 -6.659 1.186 1.00 14.34 N ATOM 1232 CA GLY A 88 -20.404 -5.386 1.571 1.00 34.03 C ATOM 1233 C GLY A 88 -19.731 -4.233 0.825 1.00 32.34 C ATOM 1234 O GLY A 88 -18.875 -4.454 -0.038 1.00 71.30 O ATOM 0 H GLY A 88 -19.496 -6.656 0.219 1.00 14.34 H new ATOM 0 HA2 GLY A 88 -21.472 -5.390 1.355 1.00 34.03 H new ATOM 0 HA3 GLY A 88 -20.296 -5.242 2.646 1.00 34.03 H new ATOM 1238 N SER A 89 -20.109 -2.998 1.160 1.00 3.42 N ATOM 1239 CA SER A 89 -19.603 -1.766 0.562 1.00 3.04 C ATOM 1240 C SER A 89 -18.084 -1.599 0.701 1.00 41.42 C ATOM 1241 O SER A 89 -17.432 -2.207 1.557 1.00 1.31 O ATOM 1242 CB SER A 89 -20.346 -0.566 1.166 1.00 62.00 C ATOM 1243 OG SER A 89 -21.747 -0.684 0.970 1.00 4.54 O ATOM 0 H SER A 89 -20.805 -2.824 1.885 1.00 3.42 H new ATOM 0 HA SER A 89 -19.794 -1.822 -0.510 1.00 3.04 H new ATOM 0 HB2 SER A 89 -20.129 -0.498 2.232 1.00 62.00 H new ATOM 0 HB3 SER A 89 -19.988 0.356 0.708 1.00 62.00 H new ATOM 0 HG SER A 89 -22.199 0.091 1.365 1.00 4.54 H new ATOM 1249 N LEU A 90 -17.537 -0.696 -0.124 1.00 30.30 N ATOM 1250 CA LEU A 90 -16.115 -0.376 -0.203 1.00 4.44 C ATOM 1251 C LEU A 90 -15.572 0.175 1.118 1.00 72.41 C ATOM 1252 O LEU A 90 -14.380 0.016 1.389 1.00 20.14 O ATOM 1253 CB LEU A 90 -15.789 0.633 -1.322 1.00 25.43 C ATOM 1254 CG LEU A 90 -16.111 0.172 -2.757 1.00 35.14 C ATOM 1255 CD1 LEU A 90 -17.588 0.405 -3.060 1.00 11.31 C ATOM 1256 CD2 LEU A 90 -15.317 0.958 -3.798 1.00 41.33 C ATOM 0 H LEU A 90 -18.099 -0.150 -0.777 1.00 30.30 H new ATOM 0 HA LEU A 90 -15.628 -1.324 -0.431 1.00 4.44 H new ATOM 0 HB2 LEU A 90 -16.337 1.554 -1.125 1.00 25.43 H new ATOM 0 HB3 LEU A 90 -14.728 0.876 -1.268 1.00 25.43 H new ATOM 0 HG LEU A 90 -15.849 -0.885 -2.812 1.00 35.14 H new ATOM 0 HD11 LEU A 90 -17.807 0.077 -4.076 1.00 11.31 H new ATOM 0 HD12 LEU A 90 -18.198 -0.161 -2.356 1.00 11.31 H new ATOM 0 HD13 LEU A 90 -17.816 1.467 -2.965 1.00 11.31 H new ATOM 0 HD21 LEU A 90 -15.573 0.602 -4.796 1.00 41.33 H new ATOM 0 HD22 LEU A 90 -15.560 2.017 -3.717 1.00 41.33 H new ATOM 0 HD23 LEU A 90 -14.250 0.816 -3.625 1.00 41.33 H new ATOM 1268 N SER A 91 -16.423 0.808 1.933 1.00 42.31 N ATOM 1269 CA SER A 91 -16.065 1.405 3.215 1.00 4.12 C ATOM 1270 C SER A 91 -15.481 0.360 4.164 1.00 44.43 C ATOM 1271 O SER A 91 -14.335 0.497 4.587 1.00 62.53 O ATOM 1272 CB SER A 91 -17.327 2.051 3.812 1.00 74.14 C ATOM 1273 OG SER A 91 -17.061 2.777 4.994 1.00 22.33 O ATOM 0 H SER A 91 -17.411 0.920 1.707 1.00 42.31 H new ATOM 0 HA SER A 91 -15.296 2.163 3.068 1.00 4.12 H new ATOM 0 HB2 SER A 91 -17.773 2.718 3.074 1.00 74.14 H new ATOM 0 HB3 SER A 91 -18.062 1.274 4.025 1.00 74.14 H new ATOM 0 HG SER A 91 -17.894 3.168 5.332 1.00 22.33 H new ATOM 1279 N THR A 92 -16.201 -0.738 4.399 1.00 0.25 N ATOM 1280 CA THR A 92 -15.771 -1.802 5.296 1.00 61.42 C ATOM 1281 C THR A 92 -14.398 -2.345 4.915 1.00 62.12 C ATOM 1282 O THR A 92 -13.572 -2.614 5.788 1.00 45.50 O ATOM 1283 CB THR A 92 -16.855 -2.887 5.307 1.00 43.04 C ATOM 1284 OG1 THR A 92 -18.107 -2.260 5.540 1.00 34.43 O ATOM 1285 CG2 THR A 92 -16.576 -3.905 6.409 1.00 65.13 C ATOM 0 H THR A 92 -17.108 -0.912 3.966 1.00 0.25 H new ATOM 0 HA THR A 92 -15.652 -1.410 6.306 1.00 61.42 H new ATOM 0 HB THR A 92 -16.863 -3.411 4.351 1.00 43.04 H new ATOM 0 HG1 THR A 92 -18.815 -2.937 5.549 1.00 34.43 H new ATOM 0 HG21 THR A 92 -17.354 -4.669 6.404 1.00 65.13 H new ATOM 0 HG22 THR A 92 -15.607 -4.373 6.235 1.00 65.13 H new ATOM 0 HG23 THR A 92 -16.568 -3.402 7.376 1.00 65.13 H new ATOM 1293 N LYS A 93 -14.127 -2.437 3.613 1.00 75.12 N ATOM 1294 CA LYS A 93 -12.865 -2.924 3.094 1.00 24.11 C ATOM 1295 C LYS A 93 -11.697 -2.145 3.673 1.00 3.45 C ATOM 1296 O LYS A 93 -10.699 -2.758 4.050 1.00 14.02 O ATOM 1297 CB LYS A 93 -12.851 -2.777 1.571 1.00 35.40 C ATOM 1298 CG LYS A 93 -12.097 -3.905 0.879 1.00 40.31 C ATOM 1299 CD LYS A 93 -12.132 -3.649 -0.632 1.00 51.02 C ATOM 1300 CE LYS A 93 -11.944 -4.887 -1.510 1.00 15.35 C ATOM 1301 NZ LYS A 93 -13.157 -5.728 -1.568 1.00 33.23 N ATOM 0 H LYS A 93 -14.791 -2.170 2.886 1.00 75.12 H new ATOM 0 HA LYS A 93 -12.762 -3.971 3.378 1.00 24.11 H new ATOM 0 HB2 LYS A 93 -13.877 -2.752 1.203 1.00 35.40 H new ATOM 0 HB3 LYS A 93 -12.394 -1.824 1.306 1.00 35.40 H new ATOM 0 HG2 LYS A 93 -11.067 -3.947 1.234 1.00 40.31 H new ATOM 0 HG3 LYS A 93 -12.554 -4.867 1.112 1.00 40.31 H new ATOM 0 HD2 LYS A 93 -13.087 -3.187 -0.883 1.00 51.02 H new ATOM 0 HD3 LYS A 93 -11.354 -2.927 -0.879 1.00 51.02 H new ATOM 0 HE2 LYS A 93 -11.673 -4.575 -2.519 1.00 15.35 H new ATOM 0 HE3 LYS A 93 -11.113 -5.479 -1.125 1.00 15.35 H new ATOM 0 HZ1 LYS A 93 -13.188 -6.230 -2.478 1.00 33.23 H new ATOM 0 HZ2 LYS A 93 -13.137 -6.420 -0.792 1.00 33.23 H new ATOM 0 HZ3 LYS A 93 -14.001 -5.127 -1.475 1.00 33.23 H new ATOM 1315 N THR A 94 -11.797 -0.814 3.755 1.00 61.21 N ATOM 1316 CA THR A 94 -10.714 0.011 4.275 1.00 14.21 C ATOM 1317 C THR A 94 -10.438 -0.354 5.734 1.00 2.43 C ATOM 1318 O THR A 94 -9.296 -0.286 6.195 1.00 61.24 O ATOM 1319 CB THR A 94 -10.976 1.518 4.060 1.00 20.32 C ATOM 1320 OG1 THR A 94 -11.799 2.061 5.069 1.00 32.42 O ATOM 1321 CG2 THR A 94 -11.572 1.789 2.677 1.00 60.23 C ATOM 0 H THR A 94 -12.622 -0.289 3.466 1.00 61.21 H new ATOM 0 HA THR A 94 -9.808 -0.200 3.708 1.00 14.21 H new ATOM 0 HB THR A 94 -10.008 2.016 4.120 1.00 20.32 H new ATOM 0 HG1 THR A 94 -12.682 1.638 5.034 1.00 32.42 H new ATOM 0 HG21 THR A 94 -11.744 2.859 2.558 1.00 60.23 H new ATOM 0 HG22 THR A 94 -10.879 1.445 1.909 1.00 60.23 H new ATOM 0 HG23 THR A 94 -12.518 1.256 2.578 1.00 60.23 H new ATOM 1329 N SER A 95 -11.472 -0.734 6.489 1.00 25.22 N ATOM 1330 CA SER A 95 -11.334 -1.127 7.878 1.00 52.32 C ATOM 1331 C SER A 95 -10.621 -2.487 7.929 1.00 51.35 C ATOM 1332 O SER A 95 -9.809 -2.712 8.830 1.00 13.20 O ATOM 1333 CB SER A 95 -12.719 -1.112 8.544 1.00 24.43 C ATOM 1334 OG SER A 95 -12.631 -1.054 9.958 1.00 52.54 O ATOM 0 H SER A 95 -12.431 -0.775 6.144 1.00 25.22 H new ATOM 0 HA SER A 95 -10.719 -0.429 8.446 1.00 52.32 H new ATOM 0 HB2 SER A 95 -13.286 -0.255 8.181 1.00 24.43 H new ATOM 0 HB3 SER A 95 -13.271 -2.006 8.252 1.00 24.43 H new ATOM 0 HG SER A 95 -13.533 -1.044 10.342 1.00 52.54 H new ATOM 1340 N SER A 96 -10.874 -3.387 6.968 1.00 51.41 N ATOM 1341 CA SER A 96 -10.228 -4.693 6.917 1.00 72.22 C ATOM 1342 C SER A 96 -8.747 -4.476 6.583 1.00 41.34 C ATOM 1343 O SER A 96 -7.870 -5.005 7.261 1.00 31.51 O ATOM 1344 CB SER A 96 -10.899 -5.594 5.872 1.00 52.14 C ATOM 1345 OG SER A 96 -12.304 -5.436 5.810 1.00 33.54 O ATOM 0 H SER A 96 -11.533 -3.224 6.207 1.00 51.41 H new ATOM 0 HA SER A 96 -10.323 -5.195 7.880 1.00 72.22 H new ATOM 0 HB2 SER A 96 -10.473 -5.379 4.892 1.00 52.14 H new ATOM 0 HB3 SER A 96 -10.668 -6.635 6.099 1.00 52.14 H new ATOM 0 HG SER A 96 -12.671 -6.034 5.126 1.00 33.54 H new ATOM 1351 N ILE A 97 -8.470 -3.655 5.562 1.00 33.00 N ATOM 1352 CA ILE A 97 -7.146 -3.283 5.077 1.00 64.21 C ATOM 1353 C ILE A 97 -6.343 -2.681 6.224 1.00 4.30 C ATOM 1354 O ILE A 97 -5.208 -3.097 6.427 1.00 13.53 O ATOM 1355 CB ILE A 97 -7.293 -2.283 3.909 1.00 55.13 C ATOM 1356 CG1 ILE A 97 -7.841 -3.015 2.662 1.00 42.33 C ATOM 1357 CG2 ILE A 97 -5.991 -1.542 3.549 1.00 53.02 C ATOM 1358 CD1 ILE A 97 -8.573 -2.084 1.684 1.00 24.03 C ATOM 0 H ILE A 97 -9.213 -3.209 5.024 1.00 33.00 H new ATOM 0 HA ILE A 97 -6.615 -4.161 4.710 1.00 64.21 H new ATOM 0 HB ILE A 97 -7.993 -1.519 4.248 1.00 55.13 H new ATOM 0 HG12 ILE A 97 -7.015 -3.500 2.142 1.00 42.33 H new ATOM 0 HG13 ILE A 97 -8.523 -3.803 2.982 1.00 42.33 H new ATOM 0 HG21 ILE A 97 -6.178 -0.859 2.720 1.00 53.02 H new ATOM 0 HG22 ILE A 97 -5.643 -0.977 4.414 1.00 53.02 H new ATOM 0 HG23 ILE A 97 -5.229 -2.265 3.258 1.00 53.02 H new ATOM 0 HD11 ILE A 97 -8.932 -2.661 0.832 1.00 24.03 H new ATOM 0 HD12 ILE A 97 -9.419 -1.618 2.189 1.00 24.03 H new ATOM 0 HD13 ILE A 97 -7.888 -1.311 1.336 1.00 24.03 H new ATOM 1370 N ALA A 98 -6.903 -1.737 6.989 1.00 2.51 N ATOM 1371 CA ALA A 98 -6.182 -1.116 8.097 1.00 65.42 C ATOM 1372 C ALA A 98 -5.717 -2.187 9.079 1.00 13.51 C ATOM 1373 O ALA A 98 -4.582 -2.173 9.544 1.00 35.50 O ATOM 1374 CB ALA A 98 -7.051 -0.072 8.799 1.00 72.10 C ATOM 0 H ALA A 98 -7.853 -1.389 6.858 1.00 2.51 H new ATOM 0 HA ALA A 98 -5.307 -0.602 7.699 1.00 65.42 H new ATOM 0 HB1 ALA A 98 -6.491 0.375 9.620 1.00 72.10 H new ATOM 0 HB2 ALA A 98 -7.334 0.704 8.088 1.00 72.10 H new ATOM 0 HB3 ALA A 98 -7.949 -0.550 9.191 1.00 72.10 H new ATOM 1380 N SER A 99 -6.599 -3.138 9.368 1.00 61.32 N ATOM 1381 CA SER A 99 -6.298 -4.228 10.276 1.00 3.52 C ATOM 1382 C SER A 99 -5.210 -5.126 9.650 1.00 22.35 C ATOM 1383 O SER A 99 -4.306 -5.580 10.353 1.00 40.15 O ATOM 1384 CB SER A 99 -7.618 -4.934 10.600 1.00 51.11 C ATOM 1385 OG SER A 99 -7.694 -5.340 11.950 1.00 72.30 O ATOM 0 H SER A 99 -7.541 -3.171 8.977 1.00 61.32 H new ATOM 0 HA SER A 99 -5.877 -3.892 11.223 1.00 3.52 H new ATOM 0 HB2 SER A 99 -8.449 -4.265 10.377 1.00 51.11 H new ATOM 0 HB3 SER A 99 -7.729 -5.805 9.955 1.00 51.11 H new ATOM 0 HG SER A 99 -8.553 -5.784 12.110 1.00 72.30 H new ATOM 1391 N ALA A 100 -5.245 -5.375 8.334 1.00 75.21 N ATOM 1392 CA ALA A 100 -4.245 -6.192 7.647 1.00 44.32 C ATOM 1393 C ALA A 100 -2.888 -5.459 7.595 1.00 53.32 C ATOM 1394 O ALA A 100 -1.839 -6.107 7.585 1.00 71.24 O ATOM 1395 CB ALA A 100 -4.756 -6.566 6.250 1.00 62.12 C ATOM 0 H ALA A 100 -5.972 -5.012 7.717 1.00 75.21 H new ATOM 0 HA ALA A 100 -4.084 -7.116 8.203 1.00 44.32 H new ATOM 0 HB1 ALA A 100 -4.009 -7.175 5.740 1.00 62.12 H new ATOM 0 HB2 ALA A 100 -5.684 -7.131 6.341 1.00 62.12 H new ATOM 0 HB3 ALA A 100 -4.939 -5.659 5.674 1.00 62.12 H new ATOM 1401 N LEU A 101 -2.883 -4.119 7.568 1.00 33.03 N ATOM 1402 CA LEU A 101 -1.671 -3.296 7.550 1.00 74.22 C ATOM 1403 C LEU A 101 -0.979 -3.465 8.892 1.00 22.22 C ATOM 1404 O LEU A 101 0.244 -3.601 8.917 1.00 63.32 O ATOM 1405 CB LEU A 101 -1.983 -1.813 7.306 1.00 72.53 C ATOM 1406 CG LEU A 101 -2.138 -1.441 5.824 1.00 62.53 C ATOM 1407 CD1 LEU A 101 -2.849 -0.095 5.703 1.00 31.00 C ATOM 1408 CD2 LEU A 101 -0.788 -1.353 5.109 1.00 72.22 C ATOM 0 H LEU A 101 -3.741 -3.568 7.558 1.00 33.03 H new ATOM 0 HA LEU A 101 -1.031 -3.622 6.730 1.00 74.22 H new ATOM 0 HB2 LEU A 101 -2.902 -1.555 7.833 1.00 72.53 H new ATOM 0 HB3 LEU A 101 -1.186 -1.209 7.740 1.00 72.53 H new ATOM 0 HG LEU A 101 -2.723 -2.229 5.351 1.00 62.53 H new ATOM 0 HD11 LEU A 101 -2.957 0.166 4.650 1.00 31.00 H new ATOM 0 HD12 LEU A 101 -3.835 -0.161 6.164 1.00 31.00 H new ATOM 0 HD13 LEU A 101 -2.263 0.673 6.209 1.00 31.00 H new ATOM 0 HD21 LEU A 101 -0.946 -1.088 4.064 1.00 72.22 H new ATOM 0 HD22 LEU A 101 -0.172 -0.592 5.587 1.00 72.22 H new ATOM 0 HD23 LEU A 101 -0.283 -2.317 5.166 1.00 72.22 H new ATOM 1420 N SER A 102 -1.757 -3.536 9.981 1.00 4.33 N ATOM 1421 CA SER A 102 -1.214 -3.732 11.317 1.00 3.13 C ATOM 1422 C SER A 102 -0.373 -5.021 11.367 1.00 52.45 C ATOM 1423 O SER A 102 0.483 -5.171 12.238 1.00 65.25 O ATOM 1424 CB SER A 102 -2.320 -3.783 12.372 1.00 62.44 C ATOM 1425 OG SER A 102 -3.182 -2.665 12.313 1.00 12.01 O ATOM 0 H SER A 102 -2.774 -3.459 9.953 1.00 4.33 H new ATOM 0 HA SER A 102 -0.576 -2.878 11.544 1.00 3.13 H new ATOM 0 HB2 SER A 102 -2.903 -4.694 12.237 1.00 62.44 H new ATOM 0 HB3 SER A 102 -1.869 -3.837 13.363 1.00 62.44 H new ATOM 0 HG SER A 102 -3.687 -2.685 11.473 1.00 12.01 H new ATOM 1431 N ASN A 103 -0.701 -6.027 10.549 1.00 44.42 N ATOM 1432 CA ASN A 103 0.070 -7.262 10.482 1.00 32.11 C ATOM 1433 C ASN A 103 1.390 -6.991 9.748 1.00 54.21 C ATOM 1434 O ASN A 103 2.473 -7.212 10.282 1.00 64.51 O ATOM 1435 CB ASN A 103 -0.743 -8.361 9.786 1.00 32.41 C ATOM 1436 CG ASN A 103 -0.129 -9.737 9.999 1.00 35.33 C ATOM 1437 OD1 ASN A 103 1.051 -9.956 9.752 1.00 53.32 O ATOM 1438 ND2 ASN A 103 -0.909 -10.704 10.445 1.00 42.41 N ATOM 0 H ASN A 103 -1.504 -6.004 9.921 1.00 44.42 H new ATOM 0 HA ASN A 103 0.296 -7.612 11.489 1.00 32.11 H new ATOM 0 HB2 ASN A 103 -1.764 -8.355 10.168 1.00 32.41 H new ATOM 0 HB3 ASN A 103 -0.801 -8.150 8.718 1.00 32.41 H new ATOM 0 HD21 ASN A 103 -0.530 -11.641 10.586 1.00 42.41 H new ATOM 0 HD22 ASN A 103 -1.890 -10.515 10.649 1.00 42.41 H new ATOM 1445 N ALA A 104 1.289 -6.439 8.532 1.00 4.21 N ATOM 1446 CA ALA A 104 2.415 -6.130 7.656 1.00 33.10 C ATOM 1447 C ALA A 104 3.505 -5.269 8.297 1.00 32.40 C ATOM 1448 O ALA A 104 4.673 -5.634 8.194 1.00 62.24 O ATOM 1449 CB ALA A 104 1.913 -5.506 6.352 1.00 45.32 C ATOM 0 H ALA A 104 0.389 -6.189 8.122 1.00 4.21 H new ATOM 0 HA ALA A 104 2.901 -7.083 7.446 1.00 33.10 H new ATOM 0 HB1 ALA A 104 2.762 -5.280 5.707 1.00 45.32 H new ATOM 0 HB2 ALA A 104 1.249 -6.206 5.846 1.00 45.32 H new ATOM 0 HB3 ALA A 104 1.371 -4.587 6.574 1.00 45.32 H new ATOM 1455 N PHE A 105 3.172 -4.146 8.946 1.00 61.44 N ATOM 1456 CA PHE A 105 4.200 -3.302 9.566 1.00 2.42 C ATOM 1457 C PHE A 105 4.915 -4.040 10.707 1.00 65.34 C ATOM 1458 O PHE A 105 6.070 -3.742 11.030 1.00 64.14 O ATOM 1459 CB PHE A 105 3.597 -1.963 10.006 1.00 64.33 C ATOM 1460 CG PHE A 105 3.466 -0.947 8.900 1.00 22.30 C ATOM 1461 CD1 PHE A 105 4.623 -0.433 8.291 1.00 50.03 C ATOM 1462 CD2 PHE A 105 2.193 -0.501 8.502 1.00 62.31 C ATOM 1463 CE1 PHE A 105 4.505 0.531 7.276 1.00 41.33 C ATOM 1464 CE2 PHE A 105 2.075 0.469 7.492 1.00 51.53 C ATOM 1465 CZ PHE A 105 3.232 0.982 6.879 1.00 65.44 C ATOM 0 H PHE A 105 2.217 -3.806 9.054 1.00 61.44 H new ATOM 0 HA PHE A 105 4.967 -3.079 8.824 1.00 2.42 H new ATOM 0 HB2 PHE A 105 2.611 -2.145 10.434 1.00 64.33 H new ATOM 0 HB3 PHE A 105 4.216 -1.542 10.798 1.00 64.33 H new ATOM 0 HD1 PHE A 105 5.598 -0.777 8.602 1.00 50.03 H new ATOM 0 HD2 PHE A 105 1.308 -0.903 8.972 1.00 62.31 H new ATOM 0 HE1 PHE A 105 5.391 0.926 6.800 1.00 41.33 H new ATOM 0 HE2 PHE A 105 1.100 0.819 7.188 1.00 51.53 H new ATOM 0 HZ PHE A 105 3.144 1.725 6.100 1.00 65.44 H new ATOM 1475 N LEU A 106 4.243 -5.003 11.348 1.00 54.21 N ATOM 1476 CA LEU A 106 4.872 -5.782 12.406 1.00 21.01 C ATOM 1477 C LEU A 106 5.828 -6.768 11.737 1.00 54.11 C ATOM 1478 O LEU A 106 6.953 -6.948 12.211 1.00 43.11 O ATOM 1479 CB LEU A 106 3.857 -6.496 13.309 1.00 62.32 C ATOM 1480 CG LEU A 106 3.108 -5.538 14.246 1.00 21.40 C ATOM 1481 CD1 LEU A 106 2.189 -6.317 15.169 1.00 62.34 C ATOM 1482 CD2 LEU A 106 4.012 -4.686 15.133 1.00 33.10 C ATOM 0 H LEU A 106 3.274 -5.255 11.151 1.00 54.21 H new ATOM 0 HA LEU A 106 5.415 -5.114 13.074 1.00 21.01 H new ATOM 0 HB2 LEU A 106 3.135 -7.025 12.687 1.00 62.32 H new ATOM 0 HB3 LEU A 106 4.375 -7.247 13.905 1.00 62.32 H new ATOM 0 HG LEU A 106 2.561 -4.871 13.579 1.00 21.40 H new ATOM 0 HD11 LEU A 106 1.664 -5.626 15.828 1.00 62.34 H new ATOM 0 HD12 LEU A 106 1.464 -6.874 14.575 1.00 62.34 H new ATOM 0 HD13 LEU A 106 2.778 -7.012 15.767 1.00 62.34 H new ATOM 0 HD21 LEU A 106 3.400 -4.039 15.762 1.00 33.10 H new ATOM 0 HD22 LEU A 106 4.620 -5.335 15.763 1.00 33.10 H new ATOM 0 HD23 LEU A 106 4.663 -4.074 14.508 1.00 33.10 H new ATOM 1494 N GLN A 107 5.415 -7.377 10.622 1.00 40.14 N ATOM 1495 CA GLN A 107 6.256 -8.313 9.895 1.00 11.32 C ATOM 1496 C GLN A 107 7.508 -7.600 9.374 1.00 63.21 C ATOM 1497 O GLN A 107 8.572 -8.212 9.398 1.00 24.14 O ATOM 1498 CB GLN A 107 5.485 -9.014 8.759 1.00 54.31 C ATOM 1499 CG GLN A 107 4.359 -9.956 9.231 1.00 10.52 C ATOM 1500 CD GLN A 107 4.868 -11.244 9.882 1.00 12.43 C ATOM 1501 OE1 GLN A 107 5.559 -11.203 10.902 1.00 42.24 O ATOM 1502 NE2 GLN A 107 4.528 -12.407 9.353 1.00 0.02 N ATOM 0 H GLN A 107 4.495 -7.232 10.206 1.00 40.14 H new ATOM 0 HA GLN A 107 6.569 -9.096 10.585 1.00 11.32 H new ATOM 0 HB2 GLN A 107 5.055 -8.254 8.107 1.00 54.31 H new ATOM 0 HB3 GLN A 107 6.191 -9.587 8.158 1.00 54.31 H new ATOM 0 HG2 GLN A 107 3.727 -9.425 9.943 1.00 10.52 H new ATOM 0 HG3 GLN A 107 3.731 -10.214 8.378 1.00 10.52 H new ATOM 0 HE21 GLN A 107 3.956 -12.436 8.509 1.00 0.02 H new ATOM 0 HE22 GLN A 107 4.838 -13.276 9.789 1.00 0.02 H new ATOM 1511 N THR A 108 7.452 -6.326 8.969 1.00 31.22 N ATOM 1512 CA THR A 108 8.644 -5.651 8.471 1.00 42.33 C ATOM 1513 C THR A 108 9.572 -5.174 9.589 1.00 41.31 C ATOM 1514 O THR A 108 10.716 -5.638 9.645 1.00 74.33 O ATOM 1515 CB THR A 108 8.284 -4.503 7.521 1.00 10.24 C ATOM 1516 OG1 THR A 108 7.389 -3.575 8.101 1.00 61.34 O ATOM 1517 CG2 THR A 108 7.662 -5.038 6.236 1.00 24.54 C ATOM 0 H THR A 108 6.607 -5.754 8.977 1.00 31.22 H new ATOM 0 HA THR A 108 9.201 -6.398 7.905 1.00 42.33 H new ATOM 0 HB THR A 108 9.220 -3.988 7.304 1.00 10.24 H new ATOM 0 HG1 THR A 108 7.193 -2.863 7.457 1.00 61.34 H new ATOM 0 HG21 THR A 108 7.415 -4.205 5.577 1.00 24.54 H new ATOM 0 HG22 THR A 108 8.371 -5.698 5.736 1.00 24.54 H new ATOM 0 HG23 THR A 108 6.755 -5.594 6.475 1.00 24.54 H new ATOM 1525 N THR A 109 9.109 -4.305 10.498 1.00 35.12 N ATOM 1526 CA THR A 109 9.965 -3.777 11.566 1.00 40.53 C ATOM 1527 C THR A 109 9.440 -3.976 12.984 1.00 12.14 C ATOM 1528 O THR A 109 10.176 -3.721 13.938 1.00 74.13 O ATOM 1529 CB THR A 109 10.256 -2.286 11.300 1.00 52.33 C ATOM 1530 OG1 THR A 109 9.122 -1.478 11.519 1.00 31.43 O ATOM 1531 CG2 THR A 109 10.674 -1.979 9.868 1.00 41.14 C ATOM 0 H THR A 109 8.151 -3.955 10.514 1.00 35.12 H new ATOM 0 HA THR A 109 10.881 -4.367 11.530 1.00 40.53 H new ATOM 0 HB THR A 109 11.069 -2.069 11.993 1.00 52.33 H new ATOM 0 HG1 THR A 109 9.349 -0.541 11.341 1.00 31.43 H new ATOM 0 HG21 THR A 109 10.860 -0.910 9.764 1.00 41.14 H new ATOM 0 HG22 THR A 109 11.583 -2.530 9.628 1.00 41.14 H new ATOM 0 HG23 THR A 109 9.878 -2.277 9.185 1.00 41.14 H new ATOM 1539 N GLY A 110 8.207 -4.444 13.172 1.00 34.25 N ATOM 1540 CA GLY A 110 7.677 -4.614 14.516 1.00 23.12 C ATOM 1541 C GLY A 110 7.106 -3.288 15.016 1.00 63.10 C ATOM 1542 O GLY A 110 7.256 -2.966 16.194 1.00 73.32 O ATOM 0 H GLY A 110 7.568 -4.707 12.422 1.00 34.25 H new ATOM 0 HA2 GLY A 110 6.900 -5.379 14.517 1.00 23.12 H new ATOM 0 HA3 GLY A 110 8.464 -4.958 15.187 1.00 23.12 H new ATOM 1546 N VAL A 111 6.494 -2.487 14.135 1.00 2.41 N ATOM 1547 CA VAL A 111 5.891 -1.207 14.499 1.00 32.41 C ATOM 1548 C VAL A 111 4.423 -1.192 14.088 1.00 24.33 C ATOM 1549 O VAL A 111 4.072 -1.727 13.043 1.00 52.12 O ATOM 1550 CB VAL A 111 6.684 -0.058 13.851 1.00 44.14 C ATOM 1551 CG1 VAL A 111 6.508 0.064 12.329 1.00 14.13 C ATOM 1552 CG2 VAL A 111 6.347 1.287 14.494 1.00 54.03 C ATOM 0 H VAL A 111 6.405 -2.714 13.145 1.00 2.41 H new ATOM 0 HA VAL A 111 5.931 -1.069 15.580 1.00 32.41 H new ATOM 0 HB VAL A 111 7.727 -0.319 14.033 1.00 44.14 H new ATOM 0 HG11 VAL A 111 7.103 0.899 11.960 1.00 14.13 H new ATOM 0 HG12 VAL A 111 6.839 -0.857 11.849 1.00 14.13 H new ATOM 0 HG13 VAL A 111 5.457 0.236 12.097 1.00 14.13 H new ATOM 0 HG21 VAL A 111 6.925 2.076 14.012 1.00 54.03 H new ATOM 0 HG22 VAL A 111 5.283 1.491 14.374 1.00 54.03 H new ATOM 0 HG23 VAL A 111 6.592 1.254 15.556 1.00 54.03 H new ATOM 1562 N VAL A 112 3.525 -0.734 14.947 1.00 34.23 N ATOM 1563 CA VAL A 112 2.107 -0.608 14.646 1.00 62.41 C ATOM 1564 C VAL A 112 1.674 0.818 15.006 1.00 42.03 C ATOM 1565 O VAL A 112 1.616 1.167 16.186 1.00 51.24 O ATOM 1566 CB VAL A 112 1.326 -1.791 15.243 1.00 33.14 C ATOM 1567 CG1 VAL A 112 1.620 -2.024 16.713 1.00 24.13 C ATOM 1568 CG2 VAL A 112 -0.164 -1.689 14.919 1.00 35.51 C ATOM 0 H VAL A 112 3.766 -0.434 15.891 1.00 34.23 H new ATOM 0 HA VAL A 112 1.872 -0.703 13.586 1.00 62.41 H new ATOM 0 HB VAL A 112 1.688 -2.695 14.754 1.00 33.14 H new ATOM 0 HG11 VAL A 112 1.037 -2.872 17.071 1.00 24.13 H new ATOM 0 HG12 VAL A 112 2.682 -2.233 16.843 1.00 24.13 H new ATOM 0 HG13 VAL A 112 1.353 -1.134 17.283 1.00 24.13 H new ATOM 0 HG21 VAL A 112 -0.690 -2.539 15.354 1.00 35.51 H new ATOM 0 HG22 VAL A 112 -0.564 -0.764 15.334 1.00 35.51 H new ATOM 0 HG23 VAL A 112 -0.302 -1.692 13.838 1.00 35.51 H new ATOM 1578 N ASN A 113 1.375 1.673 14.025 1.00 65.51 N ATOM 1579 CA ASN A 113 0.955 3.055 14.252 1.00 73.31 C ATOM 1580 C ASN A 113 -0.408 3.271 13.622 1.00 1.33 C ATOM 1581 O ASN A 113 -0.518 3.440 12.410 1.00 44.25 O ATOM 1582 CB ASN A 113 1.965 4.065 13.695 1.00 50.11 C ATOM 1583 CG ASN A 113 2.956 4.519 14.742 1.00 64.34 C ATOM 1584 OD1 ASN A 113 2.970 5.686 15.111 1.00 35.15 O ATOM 1585 ND2 ASN A 113 3.798 3.619 15.219 1.00 2.01 N ATOM 0 H ASN A 113 1.419 1.420 13.038 1.00 65.51 H new ATOM 0 HA ASN A 113 0.900 3.221 15.328 1.00 73.31 H new ATOM 0 HB2 ASN A 113 2.502 3.616 12.860 1.00 50.11 H new ATOM 0 HB3 ASN A 113 1.432 4.931 13.303 1.00 50.11 H new ATOM 0 HD21 ASN A 113 4.490 3.888 15.919 1.00 2.01 H new ATOM 0 HD22 ASN A 113 3.756 2.655 14.887 1.00 2.01 H new ATOM 1592 N GLN A 114 -1.447 3.302 14.453 1.00 60.11 N ATOM 1593 CA GLN A 114 -2.821 3.507 14.017 1.00 62.21 C ATOM 1594 C GLN A 114 -3.012 4.706 13.072 1.00 63.43 C ATOM 1595 O GLN A 114 -3.624 4.480 12.030 1.00 65.34 O ATOM 1596 CB GLN A 114 -3.744 3.604 15.235 1.00 11.51 C ATOM 1597 CG GLN A 114 -3.984 2.242 15.908 1.00 32.45 C ATOM 1598 CD GLN A 114 -5.175 1.525 15.273 1.00 20.01 C ATOM 1599 OE1 GLN A 114 -5.141 1.134 14.107 1.00 64.22 O ATOM 1600 NE2 GLN A 114 -6.263 1.355 16.003 1.00 22.10 N ATOM 0 H GLN A 114 -1.354 3.184 15.462 1.00 60.11 H new ATOM 0 HA GLN A 114 -3.090 2.636 13.420 1.00 62.21 H new ATOM 0 HB2 GLN A 114 -3.310 4.292 15.961 1.00 11.51 H new ATOM 0 HB3 GLN A 114 -4.701 4.027 14.928 1.00 11.51 H new ATOM 0 HG2 GLN A 114 -3.091 1.624 15.817 1.00 32.45 H new ATOM 0 HG3 GLN A 114 -4.165 2.385 16.973 1.00 32.45 H new ATOM 0 HE21 GLN A 114 -6.285 1.681 16.969 1.00 22.10 H new ATOM 0 HE22 GLN A 114 -7.081 0.897 15.600 1.00 22.10 H new ATOM 1609 N PRO A 115 -2.519 5.937 13.329 1.00 32.45 N ATOM 1610 CA PRO A 115 -2.743 7.044 12.399 1.00 52.21 C ATOM 1611 C PRO A 115 -1.983 6.855 11.079 1.00 25.44 C ATOM 1612 O PRO A 115 -2.528 7.111 10.007 1.00 72.34 O ATOM 1613 CB PRO A 115 -2.329 8.308 13.152 1.00 43.32 C ATOM 1614 CG PRO A 115 -1.303 7.813 14.169 1.00 4.12 C ATOM 1615 CD PRO A 115 -1.780 6.398 14.501 1.00 52.33 C ATOM 0 HA PRO A 115 -3.788 7.104 12.094 1.00 52.21 H new ATOM 0 HB2 PRO A 115 -1.899 9.050 12.480 1.00 43.32 H new ATOM 0 HB3 PRO A 115 -3.182 8.778 13.642 1.00 43.32 H new ATOM 0 HG2 PRO A 115 -0.296 7.809 13.753 1.00 4.12 H new ATOM 0 HG3 PRO A 115 -1.279 8.447 15.056 1.00 4.12 H new ATOM 0 HD2 PRO A 115 -0.936 5.742 14.713 1.00 52.33 H new ATOM 0 HD3 PRO A 115 -2.415 6.398 15.387 1.00 52.33 H new ATOM 1623 N PHE A 116 -0.741 6.366 11.158 1.00 14.11 N ATOM 1624 CA PHE A 116 0.146 6.103 10.027 1.00 5.25 C ATOM 1625 C PHE A 116 -0.491 5.093 9.069 1.00 14.03 C ATOM 1626 O PHE A 116 -0.320 5.182 7.854 1.00 24.31 O ATOM 1627 CB PHE A 116 1.457 5.561 10.602 1.00 44.04 C ATOM 1628 CG PHE A 116 2.633 5.495 9.660 1.00 52.04 C ATOM 1629 CD1 PHE A 116 2.913 4.317 8.940 1.00 24.12 C ATOM 1630 CD2 PHE A 116 3.508 6.591 9.585 1.00 13.51 C ATOM 1631 CE1 PHE A 116 4.084 4.236 8.165 1.00 41.40 C ATOM 1632 CE2 PHE A 116 4.680 6.496 8.824 1.00 43.51 C ATOM 1633 CZ PHE A 116 4.974 5.322 8.114 1.00 34.42 C ATOM 0 H PHE A 116 -0.310 6.133 12.053 1.00 14.11 H new ATOM 0 HA PHE A 116 0.328 7.013 9.455 1.00 5.25 H new ATOM 0 HB2 PHE A 116 1.737 6.181 11.453 1.00 44.04 H new ATOM 0 HB3 PHE A 116 1.271 4.558 10.986 1.00 44.04 H new ATOM 0 HD1 PHE A 116 2.232 3.480 8.983 1.00 24.12 H new ATOM 0 HD2 PHE A 116 3.278 7.505 10.113 1.00 13.51 H new ATOM 0 HE1 PHE A 116 4.300 3.336 7.608 1.00 41.40 H new ATOM 0 HE2 PHE A 116 5.362 7.332 8.783 1.00 43.51 H new ATOM 0 HZ PHE A 116 5.880 5.253 7.531 1.00 34.42 H new ATOM 1643 N ILE A 117 -1.183 4.102 9.631 1.00 44.13 N ATOM 1644 CA ILE A 117 -1.898 3.057 8.923 1.00 22.54 C ATOM 1645 C ILE A 117 -3.197 3.654 8.366 1.00 42.34 C ATOM 1646 O ILE A 117 -3.503 3.489 7.184 1.00 30.23 O ATOM 1647 CB ILE A 117 -2.104 1.871 9.901 1.00 3.05 C ATOM 1648 CG1 ILE A 117 -0.762 1.106 10.009 1.00 75.44 C ATOM 1649 CG2 ILE A 117 -3.252 0.942 9.477 1.00 32.32 C ATOM 1650 CD1 ILE A 117 -0.683 0.111 11.171 1.00 51.31 C ATOM 0 H ILE A 117 -1.260 4.008 10.644 1.00 44.13 H new ATOM 0 HA ILE A 117 -1.347 2.667 8.067 1.00 22.54 H new ATOM 0 HB ILE A 117 -2.398 2.260 10.876 1.00 3.05 H new ATOM 0 HG12 ILE A 117 -0.590 0.569 9.076 1.00 75.44 H new ATOM 0 HG13 ILE A 117 0.046 1.830 10.113 1.00 75.44 H new ATOM 0 HG21 ILE A 117 -3.349 0.131 10.199 1.00 32.32 H new ATOM 0 HG22 ILE A 117 -4.183 1.508 9.440 1.00 32.32 H new ATOM 0 HG23 ILE A 117 -3.039 0.527 8.492 1.00 32.32 H new ATOM 0 HD11 ILE A 117 0.292 -0.377 11.167 1.00 51.31 H new ATOM 0 HD12 ILE A 117 -0.820 0.641 12.114 1.00 51.31 H new ATOM 0 HD13 ILE A 117 -1.465 -0.640 11.061 1.00 51.31 H new ATOM 1662 N ASN A 118 -3.951 4.370 9.206 1.00 51.43 N ATOM 1663 CA ASN A 118 -5.224 4.979 8.841 1.00 43.43 C ATOM 1664 C ASN A 118 -5.134 5.946 7.677 1.00 73.11 C ATOM 1665 O ASN A 118 -6.065 5.980 6.877 1.00 21.31 O ATOM 1666 CB ASN A 118 -5.882 5.702 10.019 1.00 12.52 C ATOM 1667 CG ASN A 118 -6.868 4.801 10.732 1.00 24.21 C ATOM 1668 OD1 ASN A 118 -7.980 4.597 10.250 1.00 72.23 O ATOM 1669 ND2 ASN A 118 -6.482 4.244 11.863 1.00 73.43 N ATOM 0 H ASN A 118 -3.685 4.543 10.175 1.00 51.43 H new ATOM 0 HA ASN A 118 -5.838 4.133 8.533 1.00 43.43 H new ATOM 0 HB2 ASN A 118 -5.116 6.034 10.720 1.00 12.52 H new ATOM 0 HB3 ASN A 118 -6.394 6.595 9.661 1.00 12.52 H new ATOM 0 HD21 ASN A 118 -7.114 3.622 12.367 1.00 73.43 H new ATOM 0 HD22 ASN A 118 -5.551 4.436 12.234 1.00 73.43 H new ATOM 1676 N GLU A 119 -4.070 6.738 7.556 1.00 24.23 N ATOM 1677 CA GLU A 119 -3.966 7.678 6.447 1.00 31.10 C ATOM 1678 C GLU A 119 -3.849 6.944 5.109 1.00 42.44 C ATOM 1679 O GLU A 119 -4.289 7.468 4.085 1.00 72.52 O ATOM 1680 CB GLU A 119 -2.828 8.667 6.684 1.00 32.13 C ATOM 1681 CG GLU A 119 -1.431 8.102 6.414 1.00 54.32 C ATOM 1682 CD GLU A 119 -0.306 8.972 6.990 1.00 73.41 C ATOM 1683 OE1 GLU A 119 -0.569 10.012 7.642 1.00 34.11 O ATOM 1684 OE2 GLU A 119 0.874 8.641 6.740 1.00 53.43 O ATOM 0 H GLU A 119 -3.281 6.747 8.202 1.00 24.23 H new ATOM 0 HA GLU A 119 -4.885 8.261 6.396 1.00 31.10 H new ATOM 0 HB2 GLU A 119 -2.983 9.539 6.049 1.00 32.13 H new ATOM 0 HB3 GLU A 119 -2.873 9.013 7.717 1.00 32.13 H new ATOM 0 HG2 GLU A 119 -1.362 7.101 6.840 1.00 54.32 H new ATOM 0 HG3 GLU A 119 -1.289 8.001 5.338 1.00 54.32 H new ATOM 1691 N ILE A 120 -3.235 5.756 5.092 1.00 11.24 N ATOM 1692 CA ILE A 120 -3.110 4.968 3.876 1.00 52.44 C ATOM 1693 C ILE A 120 -4.517 4.468 3.550 1.00 24.10 C ATOM 1694 O ILE A 120 -4.926 4.479 2.388 1.00 21.24 O ATOM 1695 CB ILE A 120 -2.103 3.807 4.065 1.00 32.52 C ATOM 1696 CG1 ILE A 120 -0.647 4.311 4.188 1.00 15.32 C ATOM 1697 CG2 ILE A 120 -2.217 2.743 2.957 1.00 64.24 C ATOM 1698 CD1 ILE A 120 -0.045 4.873 2.891 1.00 3.40 C ATOM 0 H ILE A 120 -2.817 5.323 5.915 1.00 11.24 H new ATOM 0 HA ILE A 120 -2.715 5.561 3.051 1.00 52.44 H new ATOM 0 HB ILE A 120 -2.372 3.330 5.008 1.00 32.52 H new ATOM 0 HG12 ILE A 120 -0.610 5.085 4.954 1.00 15.32 H new ATOM 0 HG13 ILE A 120 -0.021 3.489 4.535 1.00 15.32 H new ATOM 0 HG21 ILE A 120 -1.489 1.951 3.136 1.00 64.24 H new ATOM 0 HG22 ILE A 120 -3.222 2.320 2.961 1.00 64.24 H new ATOM 0 HG23 ILE A 120 -2.021 3.204 1.989 1.00 64.24 H new ATOM 0 HD11 ILE A 120 0.978 5.201 3.077 1.00 3.40 H new ATOM 0 HD12 ILE A 120 -0.044 4.098 2.125 1.00 3.40 H new ATOM 0 HD13 ILE A 120 -0.641 5.719 2.550 1.00 3.40 H new ATOM 1710 N THR A 121 -5.282 4.047 4.560 1.00 0.32 N ATOM 1711 CA THR A 121 -6.621 3.551 4.310 1.00 42.11 C ATOM 1712 C THR A 121 -7.592 4.662 3.915 1.00 13.41 C ATOM 1713 O THR A 121 -8.452 4.405 3.071 1.00 13.21 O ATOM 1714 CB THR A 121 -7.092 2.624 5.433 1.00 72.23 C ATOM 1715 OG1 THR A 121 -7.176 3.249 6.686 1.00 41.44 O ATOM 1716 CG2 THR A 121 -6.107 1.463 5.559 1.00 64.43 C ATOM 0 H THR A 121 -4.997 4.042 5.539 1.00 0.32 H new ATOM 0 HA THR A 121 -6.594 2.917 3.424 1.00 42.11 H new ATOM 0 HB THR A 121 -8.095 2.297 5.161 1.00 72.23 H new ATOM 0 HG1 THR A 121 -6.837 4.166 6.618 1.00 41.44 H new ATOM 0 HG21 THR A 121 -6.432 0.795 6.357 1.00 64.43 H new ATOM 0 HG22 THR A 121 -6.070 0.914 4.618 1.00 64.43 H new ATOM 0 HG23 THR A 121 -5.115 1.851 5.792 1.00 64.43 H new ATOM 1724 N GLN A 122 -7.410 5.889 4.421 1.00 63.22 N ATOM 1725 CA GLN A 122 -8.249 7.039 4.102 1.00 4.15 C ATOM 1726 C GLN A 122 -8.188 7.323 2.603 1.00 55.30 C ATOM 1727 O GLN A 122 -9.187 7.771 2.032 1.00 3.34 O ATOM 1728 CB GLN A 122 -7.791 8.294 4.864 1.00 44.22 C ATOM 1729 CG GLN A 122 -8.305 8.435 6.297 1.00 63.25 C ATOM 1730 CD GLN A 122 -9.823 8.551 6.328 1.00 55.21 C ATOM 1731 OE1 GLN A 122 -10.379 9.605 6.019 1.00 41.31 O ATOM 1732 NE2 GLN A 122 -10.521 7.485 6.669 1.00 31.45 N ATOM 0 H GLN A 122 -6.659 6.108 5.076 1.00 63.22 H new ATOM 0 HA GLN A 122 -9.270 6.800 4.401 1.00 4.15 H new ATOM 0 HB2 GLN A 122 -6.701 8.302 4.888 1.00 44.22 H new ATOM 0 HB3 GLN A 122 -8.104 9.172 4.299 1.00 44.22 H new ATOM 0 HG2 GLN A 122 -7.991 7.573 6.885 1.00 63.25 H new ATOM 0 HG3 GLN A 122 -7.861 9.316 6.761 1.00 63.25 H new ATOM 0 HE21 GLN A 122 -10.042 6.621 6.922 1.00 31.45 H new ATOM 0 HE22 GLN A 122 -11.540 7.525 6.680 1.00 31.45 H new ATOM 1741 N LEU A 123 -7.035 7.086 1.960 1.00 14.45 N ATOM 1742 CA LEU A 123 -6.883 7.299 0.525 1.00 54.31 C ATOM 1743 C LEU A 123 -7.883 6.390 -0.179 1.00 34.33 C ATOM 1744 O LEU A 123 -8.639 6.851 -1.025 1.00 65.42 O ATOM 1745 CB LEU A 123 -5.457 6.972 0.056 1.00 3.31 C ATOM 1746 CG LEU A 123 -4.407 8.020 0.456 1.00 61.10 C ATOM 1747 CD1 LEU A 123 -3.000 7.427 0.314 1.00 74.23 C ATOM 1748 CD2 LEU A 123 -4.514 9.270 -0.422 1.00 11.31 C ATOM 0 H LEU A 123 -6.192 6.744 2.421 1.00 14.45 H new ATOM 0 HA LEU A 123 -7.067 8.347 0.288 1.00 54.31 H new ATOM 0 HB2 LEU A 123 -5.164 6.006 0.466 1.00 3.31 H new ATOM 0 HB3 LEU A 123 -5.458 6.870 -1.029 1.00 3.31 H new ATOM 0 HG LEU A 123 -4.591 8.303 1.493 1.00 61.10 H new ATOM 0 HD11 LEU A 123 -2.260 8.175 0.599 1.00 74.23 H new ATOM 0 HD12 LEU A 123 -2.905 6.556 0.963 1.00 74.23 H new ATOM 0 HD13 LEU A 123 -2.834 7.128 -0.721 1.00 74.23 H new ATOM 0 HD21 LEU A 123 -3.759 9.995 -0.117 1.00 11.31 H new ATOM 0 HD22 LEU A 123 -4.354 8.997 -1.465 1.00 11.31 H new ATOM 0 HD23 LEU A 123 -5.505 9.709 -0.310 1.00 11.31 H new ATOM 1760 N VAL A 124 -7.913 5.105 0.189 1.00 34.04 N ATOM 1761 CA VAL A 124 -8.824 4.128 -0.387 1.00 24.40 C ATOM 1762 C VAL A 124 -10.278 4.573 -0.173 1.00 45.44 C ATOM 1763 O VAL A 124 -11.086 4.425 -1.091 1.00 63.43 O ATOM 1764 CB VAL A 124 -8.577 2.744 0.237 1.00 13.32 C ATOM 1765 CG1 VAL A 124 -9.311 1.645 -0.523 1.00 73.52 C ATOM 1766 CG2 VAL A 124 -7.100 2.338 0.326 1.00 12.13 C ATOM 0 H VAL A 124 -7.297 4.717 0.903 1.00 34.04 H new ATOM 0 HA VAL A 124 -8.642 4.058 -1.459 1.00 24.40 H new ATOM 0 HB VAL A 124 -8.961 2.847 1.252 1.00 13.32 H new ATOM 0 HG11 VAL A 124 -9.112 0.682 -0.052 1.00 73.52 H new ATOM 0 HG12 VAL A 124 -10.383 1.843 -0.505 1.00 73.52 H new ATOM 0 HG13 VAL A 124 -8.964 1.623 -1.556 1.00 73.52 H new ATOM 0 HG21 VAL A 124 -7.021 1.349 0.778 1.00 12.13 H new ATOM 0 HG22 VAL A 124 -6.668 2.315 -0.675 1.00 12.13 H new ATOM 0 HG23 VAL A 124 -6.560 3.061 0.938 1.00 12.13 H new ATOM 1776 N SER A 125 -10.613 5.116 1.005 1.00 12.03 N ATOM 1777 CA SER A 125 -11.958 5.585 1.320 1.00 31.04 C ATOM 1778 C SER A 125 -12.354 6.724 0.383 1.00 2.54 C ATOM 1779 O SER A 125 -13.397 6.667 -0.264 1.00 11.13 O ATOM 1780 CB SER A 125 -12.061 6.017 2.794 1.00 31.50 C ATOM 1781 OG SER A 125 -11.547 5.028 3.670 1.00 1.43 O ATOM 0 H SER A 125 -9.948 5.241 1.769 1.00 12.03 H new ATOM 0 HA SER A 125 -12.655 4.760 1.170 1.00 31.04 H new ATOM 0 HB2 SER A 125 -11.515 6.949 2.938 1.00 31.50 H new ATOM 0 HB3 SER A 125 -13.103 6.216 3.042 1.00 31.50 H new ATOM 0 HG SER A 125 -11.628 5.338 4.596 1.00 1.43 H new ATOM 1787 N MET A 126 -11.507 7.747 0.277 1.00 11.42 N ATOM 1788 CA MET A 126 -11.745 8.897 -0.582 1.00 1.42 C ATOM 1789 C MET A 126 -11.863 8.451 -2.042 1.00 13.13 C ATOM 1790 O MET A 126 -12.776 8.900 -2.742 1.00 40.11 O ATOM 1791 CB MET A 126 -10.605 9.900 -0.363 1.00 74.54 C ATOM 1792 CG MET A 126 -10.763 11.199 -1.156 1.00 40.40 C ATOM 1793 SD MET A 126 -9.473 12.428 -0.822 1.00 42.31 S ATOM 1794 CE MET A 126 -8.020 11.586 -1.509 1.00 30.53 C ATOM 0 H MET A 126 -10.628 7.797 0.792 1.00 11.42 H new ATOM 0 HA MET A 126 -12.688 9.383 -0.332 1.00 1.42 H new ATOM 0 HB2 MET A 126 -10.543 10.139 0.699 1.00 74.54 H new ATOM 0 HB3 MET A 126 -9.662 9.429 -0.639 1.00 74.54 H new ATOM 0 HG2 MET A 126 -10.761 10.965 -2.221 1.00 40.40 H new ATOM 0 HG3 MET A 126 -11.735 11.636 -0.928 1.00 40.40 H new ATOM 0 HE1 MET A 126 -7.185 12.285 -1.560 1.00 30.53 H new ATOM 0 HE2 MET A 126 -7.751 10.745 -0.870 1.00 30.53 H new ATOM 0 HE3 MET A 126 -8.250 11.222 -2.510 1.00 30.53 H new ATOM 1804 N PHE A 127 -10.984 7.542 -2.481 1.00 71.34 N ATOM 1805 CA PHE A 127 -10.960 7.028 -3.846 1.00 22.14 C ATOM 1806 C PHE A 127 -12.194 6.182 -4.165 1.00 31.45 C ATOM 1807 O PHE A 127 -12.564 6.036 -5.330 1.00 14.30 O ATOM 1808 CB PHE A 127 -9.647 6.280 -4.102 1.00 41.13 C ATOM 1809 CG PHE A 127 -8.366 7.109 -4.150 1.00 14.42 C ATOM 1810 CD1 PHE A 127 -7.151 6.515 -3.753 1.00 22.03 C ATOM 1811 CD2 PHE A 127 -8.356 8.438 -4.630 1.00 23.13 C ATOM 1812 CE1 PHE A 127 -5.942 7.228 -3.842 1.00 61.44 C ATOM 1813 CE2 PHE A 127 -7.149 9.156 -4.700 1.00 14.33 C ATOM 1814 CZ PHE A 127 -5.943 8.551 -4.312 1.00 42.44 C ATOM 0 H PHE A 127 -10.261 7.140 -1.885 1.00 71.34 H new ATOM 0 HA PHE A 127 -11.001 7.873 -4.533 1.00 22.14 H new ATOM 0 HB2 PHE A 127 -9.531 5.526 -3.324 1.00 41.13 H new ATOM 0 HB3 PHE A 127 -9.741 5.749 -5.049 1.00 41.13 H new ATOM 0 HD1 PHE A 127 -7.148 5.503 -3.377 1.00 22.03 H new ATOM 0 HD2 PHE A 127 -9.278 8.904 -4.944 1.00 23.13 H new ATOM 0 HE1 PHE A 127 -5.014 6.759 -3.549 1.00 61.44 H new ATOM 0 HE2 PHE A 127 -7.150 10.177 -5.054 1.00 14.33 H new ATOM 0 HZ PHE A 127 -5.017 9.103 -4.375 1.00 42.44 H new ATOM 1824 N ALA A 128 -12.851 5.620 -3.147 1.00 42.45 N ATOM 1825 CA ALA A 128 -14.058 4.817 -3.304 1.00 72.41 C ATOM 1826 C ALA A 128 -15.262 5.692 -3.647 1.00 21.23 C ATOM 1827 O ALA A 128 -16.341 5.170 -3.933 1.00 21.44 O ATOM 1828 CB ALA A 128 -14.381 4.128 -1.984 1.00 24.13 C ATOM 0 H ALA A 128 -12.551 5.714 -2.177 1.00 42.45 H new ATOM 0 HA ALA A 128 -13.874 4.100 -4.104 1.00 72.41 H new ATOM 0 HB1 ALA A 128 -15.283 3.527 -2.099 1.00 24.13 H new ATOM 0 HB2 ALA A 128 -13.550 3.484 -1.697 1.00 24.13 H new ATOM 0 HB3 ALA A 128 -14.542 4.880 -1.211 1.00 24.13 H new ATOM 1834 N GLN A 129 -15.119 7.005 -3.484 1.00 72.41 N ATOM 1835 CA GLN A 129 -16.150 7.980 -3.738 1.00 53.24 C ATOM 1836 C GLN A 129 -15.860 8.773 -5.011 1.00 0.11 C ATOM 1837 O GLN A 129 -16.763 8.920 -5.838 1.00 2.31 O ATOM 1838 CB GLN A 129 -16.293 8.869 -2.499 1.00 50.43 C ATOM 1839 CG GLN A 129 -16.651 8.067 -1.240 1.00 2.21 C ATOM 1840 CD GLN A 129 -16.825 8.995 -0.050 1.00 43.54 C ATOM 1841 OE1 GLN A 129 -15.862 9.411 0.591 1.00 11.22 O ATOM 1842 NE2 GLN A 129 -18.048 9.362 0.265 1.00 34.42 N ATOM 0 H GLN A 129 -14.247 7.423 -3.160 1.00 72.41 H new ATOM 0 HA GLN A 129 -17.103 7.483 -3.916 1.00 53.24 H new ATOM 0 HB2 GLN A 129 -15.359 9.406 -2.331 1.00 50.43 H new ATOM 0 HB3 GLN A 129 -17.063 9.618 -2.680 1.00 50.43 H new ATOM 0 HG2 GLN A 129 -17.570 7.506 -1.408 1.00 2.21 H new ATOM 0 HG3 GLN A 129 -15.867 7.339 -1.030 1.00 2.21 H new ATOM 0 HE21 GLN A 129 -18.840 9.011 -0.273 1.00 34.42 H new ATOM 0 HE22 GLN A 129 -18.204 9.997 1.047 1.00 34.42 H new