USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=33 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 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.119 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0.446 USER MOD Set 2.2: A 37 GLN : amide:sc= 1.09 K(o=1.5,f=-0.27) USER MOD Set 3.1: A 8 THR OG1 : rot -4:sc= 1.83 USER MOD Set 3.2: A 11 THR OG1 : rot 147:sc= 1.22 USER MOD Single : A 12 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.3!) USER MOD Single : A 18 ASN : amide:sc= 0.802 K(o=0.8,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 22 SER OG : rot 80:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00564 X(o=-0.0056,f=-0.0056) 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 -165:sc= -1.08 (180deg=-1.59) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00822 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc=1.21e-05 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 54 SER OG : rot 65:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.27) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0731 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0609 X(o=-0.061,f=-0.061) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 70 ASN : amide:sc= -0.737 K(o=-0.74,f=-4.2!) USER MOD Single : A 71 MET CE :methyl 176:sc= -0.087 (180deg=-0.0898) USER MOD Single : A 75 SER OG : rot 48:sc= 0.118 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 93 LYS NZ :NH3+ -141:sc= 1.26 (180deg=-0.283) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0591 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 49:sc= 1.01 USER MOD Single : A 99 SER OG : rot 84:sc= 0.0127 USER MOD Single : A 102 SER OG : rot 70:sc= 0.558 USER MOD Single : A 103 ASN : amide:sc= -0.528 K(o=-0.53,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.2!) USER MOD Single : A 108 THR OG1 : rot -67:sc= 1.21 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 118 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.1) USER MOD Single : A 121 THR OG1 : rot 15:sc= 1.22 USER MOD Single : A 122 GLN : amide:sc= -0.0615 K(o=-0.061,f=-0.83) USER MOD Single : A 125 SER OG : rot 79:sc= 0.0701 USER MOD Single : A 126 MET CE :methyl 169:sc= 0 (180deg=-0.138) USER MOD Single : A 129 GLN : amide:sc= -0.28 K(o=-0.28,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 13.628 3.767 4.121 1.00 20.25 N ATOM 83 CA THR A 8 12.237 3.959 3.751 1.00 25.30 C ATOM 84 C THR A 8 11.738 2.713 2.997 1.00 63.42 C ATOM 85 O THR A 8 12.518 2.088 2.268 1.00 11.44 O ATOM 86 CB THR A 8 12.094 5.270 2.951 1.00 44.13 C ATOM 87 OG1 THR A 8 13.343 5.840 2.578 1.00 60.52 O ATOM 88 CG2 THR A 8 11.400 6.329 3.797 1.00 52.34 C ATOM 0 HA THR A 8 11.604 4.066 4.632 1.00 25.30 H new ATOM 0 HB THR A 8 11.529 5.000 2.059 1.00 44.13 H new ATOM 0 HG1 THR A 8 14.072 5.309 2.960 1.00 60.52 H new ATOM 0 HG21 THR A 8 11.305 7.250 3.221 1.00 52.34 H new ATOM 0 HG22 THR A 8 10.409 5.975 4.082 1.00 52.34 H new ATOM 0 HG23 THR A 8 11.988 6.521 4.694 1.00 52.34 H new ATOM 96 N PRO A 9 10.453 2.340 3.121 1.00 21.15 N ATOM 97 CA PRO A 9 9.911 1.163 2.453 1.00 4.23 C ATOM 98 C PRO A 9 10.022 1.331 0.941 1.00 30.51 C ATOM 99 O PRO A 9 10.545 0.459 0.257 1.00 55.33 O ATOM 100 CB PRO A 9 8.473 1.020 2.959 1.00 11.52 C ATOM 101 CG PRO A 9 8.106 2.419 3.454 1.00 41.32 C ATOM 102 CD PRO A 9 9.435 2.993 3.925 1.00 20.31 C ATOM 0 HA PRO A 9 10.460 0.249 2.678 1.00 4.23 H new ATOM 0 HB2 PRO A 9 7.803 0.690 2.165 1.00 11.52 H new ATOM 0 HB3 PRO A 9 8.404 0.284 3.760 1.00 11.52 H new ATOM 0 HG2 PRO A 9 7.668 3.023 2.660 1.00 41.32 H new ATOM 0 HG3 PRO A 9 7.377 2.379 4.263 1.00 41.32 H new ATOM 0 HD2 PRO A 9 9.464 4.074 3.790 1.00 20.31 H new ATOM 0 HD3 PRO A 9 9.591 2.800 4.986 1.00 20.31 H new ATOM 110 N TRP A 10 9.628 2.497 0.433 1.00 40.13 N ATOM 111 CA TRP A 10 9.676 2.835 -0.980 1.00 54.22 C ATOM 112 C TRP A 10 11.122 2.978 -1.488 1.00 12.14 C ATOM 113 O TRP A 10 11.336 3.103 -2.695 1.00 23.31 O ATOM 114 CB TRP A 10 8.926 4.159 -1.182 1.00 33.42 C ATOM 115 CG TRP A 10 7.658 4.347 -0.403 1.00 25.01 C ATOM 116 CD1 TRP A 10 7.540 5.100 0.715 1.00 62.32 C ATOM 117 CD2 TRP A 10 6.328 3.798 -0.658 1.00 45.31 C ATOM 118 NE1 TRP A 10 6.231 5.086 1.144 1.00 41.10 N ATOM 119 CE2 TRP A 10 5.444 4.277 0.355 1.00 55.41 C ATOM 120 CE3 TRP A 10 5.777 2.950 -1.641 1.00 62.04 C ATOM 121 CZ2 TRP A 10 4.088 3.921 0.401 1.00 15.22 C ATOM 122 CZ3 TRP A 10 4.416 2.591 -1.609 1.00 43.12 C ATOM 123 CH2 TRP A 10 3.575 3.066 -0.587 1.00 5.03 C ATOM 0 H TRP A 10 9.257 3.250 1.012 1.00 40.13 H new ATOM 0 HA TRP A 10 9.211 2.030 -1.549 1.00 54.22 H new ATOM 0 HB2 TRP A 10 9.603 4.975 -0.929 1.00 33.42 H new ATOM 0 HB3 TRP A 10 8.691 4.257 -2.242 1.00 33.42 H new ATOM 0 HD1 TRP A 10 8.348 5.630 1.197 1.00 62.32 H new ATOM 0 HE1 TRP A 10 5.887 5.611 1.948 1.00 41.10 H new ATOM 0 HE3 TRP A 10 6.409 2.570 -2.430 1.00 62.04 H new ATOM 0 HZ2 TRP A 10 3.448 4.299 1.185 1.00 15.22 H new ATOM 0 HZ3 TRP A 10 4.014 1.945 -2.376 1.00 43.12 H new ATOM 0 HH2 TRP A 10 2.536 2.773 -0.562 1.00 5.03 H new ATOM 134 N THR A 11 12.115 3.019 -0.592 1.00 44.13 N ATOM 135 CA THR A 11 13.517 3.161 -0.957 1.00 51.25 C ATOM 136 C THR A 11 14.217 1.819 -1.175 1.00 50.22 C ATOM 137 O THR A 11 14.948 1.719 -2.162 1.00 2.31 O ATOM 138 CB THR A 11 14.209 4.006 0.123 1.00 25.24 C ATOM 139 OG1 THR A 11 13.757 5.345 -0.006 1.00 64.23 O ATOM 140 CG2 THR A 11 15.737 4.002 0.102 1.00 75.22 C ATOM 0 H THR A 11 11.960 2.953 0.414 1.00 44.13 H new ATOM 0 HA THR A 11 13.582 3.666 -1.921 1.00 51.25 H new ATOM 0 HB THR A 11 13.937 3.546 1.073 1.00 25.24 H new ATOM 0 HG1 THR A 11 13.715 5.763 0.880 1.00 64.23 H new ATOM 0 HG21 THR A 11 16.114 4.632 0.908 1.00 75.22 H new ATOM 0 HG22 THR A 11 16.100 2.983 0.237 1.00 75.22 H new ATOM 0 HG23 THR A 11 16.089 4.388 -0.855 1.00 75.22 H new ATOM 148 N ASN A 12 14.006 0.789 -0.347 1.00 60.20 N ATOM 149 CA ASN A 12 14.702 -0.485 -0.557 1.00 3.12 C ATOM 150 C ASN A 12 13.733 -1.526 -1.103 1.00 75.23 C ATOM 151 O ASN A 12 12.704 -1.780 -0.477 1.00 25.43 O ATOM 152 CB ASN A 12 15.444 -0.974 0.694 1.00 51.41 C ATOM 153 CG ASN A 12 16.819 -0.322 0.872 1.00 11.01 C ATOM 154 OD1 ASN A 12 17.269 0.502 0.075 1.00 43.20 O ATOM 155 ND2 ASN A 12 17.545 -0.698 1.906 1.00 32.13 N ATOM 0 H ASN A 12 13.376 0.810 0.455 1.00 60.20 H new ATOM 0 HA ASN A 12 15.480 -0.319 -1.302 1.00 3.12 H new ATOM 0 HB2 ASN A 12 14.835 -0.768 1.574 1.00 51.41 H new ATOM 0 HB3 ASN A 12 15.566 -2.056 0.637 1.00 51.41 H new ATOM 0 HD21 ASN A 12 18.477 -0.307 2.044 1.00 32.13 H new ATOM 0 HD22 ASN A 12 17.175 -1.380 2.568 1.00 32.13 H new ATOM 162 N PRO A 13 14.056 -2.179 -2.233 1.00 24.31 N ATOM 163 CA PRO A 13 13.180 -3.167 -2.848 1.00 51.44 C ATOM 164 C PRO A 13 12.921 -4.378 -1.961 1.00 44.04 C ATOM 165 O PRO A 13 11.811 -4.897 -1.991 1.00 74.30 O ATOM 166 CB PRO A 13 13.824 -3.524 -4.188 1.00 3.11 C ATOM 167 CG PRO A 13 15.294 -3.165 -3.991 1.00 73.24 C ATOM 168 CD PRO A 13 15.247 -1.980 -3.044 1.00 24.24 C ATOM 0 HA PRO A 13 12.181 -2.757 -2.998 1.00 51.44 H new ATOM 0 HB2 PRO A 13 13.698 -4.581 -4.424 1.00 3.11 H new ATOM 0 HB3 PRO A 13 13.381 -2.960 -5.008 1.00 3.11 H new ATOM 0 HG2 PRO A 13 15.856 -3.996 -3.566 1.00 73.24 H new ATOM 0 HG3 PRO A 13 15.774 -2.905 -4.935 1.00 73.24 H new ATOM 0 HD2 PRO A 13 16.142 -1.938 -2.423 1.00 24.24 H new ATOM 0 HD3 PRO A 13 15.195 -1.040 -3.593 1.00 24.24 H new ATOM 176 N GLY A 14 13.887 -4.808 -1.144 1.00 72.42 N ATOM 177 CA GLY A 14 13.681 -5.953 -0.270 1.00 31.14 C ATOM 178 C GLY A 14 12.699 -5.638 0.857 1.00 1.21 C ATOM 179 O GLY A 14 11.981 -6.538 1.303 1.00 1.14 O ATOM 0 H GLY A 14 14.810 -4.381 -1.074 1.00 72.42 H new ATOM 0 HA2 GLY A 14 13.306 -6.793 -0.854 1.00 31.14 H new ATOM 0 HA3 GLY A 14 14.636 -6.262 0.156 1.00 31.14 H new ATOM 183 N LEU A 15 12.684 -4.381 1.319 1.00 52.12 N ATOM 184 CA LEU A 15 11.795 -3.902 2.371 1.00 24.02 C ATOM 185 C LEU A 15 10.396 -3.861 1.760 1.00 30.01 C ATOM 186 O LEU A 15 9.468 -4.456 2.303 1.00 50.11 O ATOM 187 CB LEU A 15 12.251 -2.509 2.861 1.00 50.14 C ATOM 188 CG LEU A 15 11.742 -2.077 4.253 1.00 13.21 C ATOM 189 CD1 LEU A 15 10.231 -2.238 4.473 1.00 10.11 C ATOM 190 CD2 LEU A 15 12.495 -2.799 5.374 1.00 13.33 C ATOM 0 H LEU A 15 13.306 -3.657 0.960 1.00 52.12 H new ATOM 0 HA LEU A 15 11.807 -4.553 3.245 1.00 24.02 H new ATOM 0 HB2 LEU A 15 13.341 -2.490 2.873 1.00 50.14 H new ATOM 0 HB3 LEU A 15 11.927 -1.766 2.132 1.00 50.14 H new ATOM 0 HG LEU A 15 11.945 -1.007 4.286 1.00 13.21 H new ATOM 0 HD11 LEU A 15 9.973 -1.908 5.479 1.00 10.11 H new ATOM 0 HD12 LEU A 15 9.691 -1.635 3.743 1.00 10.11 H new ATOM 0 HD13 LEU A 15 9.955 -3.286 4.353 1.00 10.11 H new ATOM 0 HD21 LEU A 15 12.111 -2.471 6.340 1.00 13.33 H new ATOM 0 HD22 LEU A 15 12.353 -3.875 5.273 1.00 13.33 H new ATOM 0 HD23 LEU A 15 13.558 -2.566 5.308 1.00 13.33 H new ATOM 202 N ALA A 16 10.261 -3.203 0.601 1.00 1.34 N ATOM 203 CA ALA A 16 9.001 -3.083 -0.114 1.00 4.05 C ATOM 204 C ALA A 16 8.419 -4.465 -0.388 1.00 13.42 C ATOM 205 O ALA A 16 7.262 -4.702 -0.072 1.00 53.30 O ATOM 206 CB ALA A 16 9.211 -2.329 -1.426 1.00 62.45 C ATOM 0 H ALA A 16 11.039 -2.736 0.135 1.00 1.34 H new ATOM 0 HA ALA A 16 8.298 -2.523 0.503 1.00 4.05 H new ATOM 0 HB1 ALA A 16 8.261 -2.245 -1.953 1.00 62.45 H new ATOM 0 HB2 ALA A 16 9.598 -1.332 -1.215 1.00 62.45 H new ATOM 0 HB3 ALA A 16 9.924 -2.871 -2.047 1.00 62.45 H new ATOM 212 N GLU A 17 9.212 -5.383 -0.940 1.00 73.23 N ATOM 213 CA GLU A 17 8.796 -6.743 -1.256 1.00 5.01 C ATOM 214 C GLU A 17 8.228 -7.445 -0.016 1.00 41.21 C ATOM 215 O GLU A 17 7.211 -8.134 -0.117 1.00 25.41 O ATOM 216 CB GLU A 17 9.998 -7.495 -1.853 1.00 35.05 C ATOM 217 CG GLU A 17 9.682 -8.976 -2.064 1.00 30.13 C ATOM 218 CD GLU A 17 10.774 -9.729 -2.821 1.00 12.12 C ATOM 219 OE1 GLU A 17 11.949 -9.684 -2.383 1.00 62.15 O ATOM 220 OE2 GLU A 17 10.446 -10.407 -3.822 1.00 33.00 O ATOM 0 H GLU A 17 10.184 -5.194 -1.184 1.00 73.23 H new ATOM 0 HA GLU A 17 7.992 -6.728 -1.992 1.00 5.01 H new ATOM 0 HB2 GLU A 17 10.276 -7.042 -2.804 1.00 35.05 H new ATOM 0 HB3 GLU A 17 10.857 -7.396 -1.189 1.00 35.05 H new ATOM 0 HG2 GLU A 17 9.531 -9.449 -1.094 1.00 30.13 H new ATOM 0 HG3 GLU A 17 8.744 -9.065 -2.612 1.00 30.13 H new ATOM 227 N ASN A 18 8.881 -7.289 1.141 1.00 41.11 N ATOM 228 CA ASN A 18 8.435 -7.896 2.393 1.00 64.11 C ATOM 229 C ASN A 18 7.109 -7.288 2.818 1.00 12.21 C ATOM 230 O ASN A 18 6.148 -8.005 3.079 1.00 0.43 O ATOM 231 CB ASN A 18 9.450 -7.674 3.526 1.00 54.23 C ATOM 232 CG ASN A 18 10.377 -8.858 3.687 1.00 62.14 C ATOM 233 OD1 ASN A 18 10.055 -9.805 4.394 1.00 35.35 O ATOM 234 ND2 ASN A 18 11.532 -8.830 3.051 1.00 73.02 N ATOM 0 H ASN A 18 9.734 -6.737 1.232 1.00 41.11 H new ATOM 0 HA ASN A 18 8.332 -8.966 2.215 1.00 64.11 H new ATOM 0 HB2 ASN A 18 10.036 -6.779 3.319 1.00 54.23 H new ATOM 0 HB3 ASN A 18 8.919 -7.498 4.461 1.00 54.23 H new ATOM 0 HD21 ASN A 18 12.183 -9.610 3.141 1.00 73.02 H new ATOM 0 HD22 ASN A 18 11.774 -8.028 2.469 1.00 73.02 H new ATOM 241 N PHE A 19 7.063 -5.960 2.909 1.00 14.54 N ATOM 242 CA PHE A 19 5.891 -5.202 3.313 1.00 1.41 C ATOM 243 C PHE A 19 4.681 -5.519 2.430 1.00 65.12 C ATOM 244 O PHE A 19 3.584 -5.751 2.945 1.00 10.13 O ATOM 245 CB PHE A 19 6.262 -3.714 3.287 1.00 14.12 C ATOM 246 CG PHE A 19 5.121 -2.781 3.627 1.00 42.34 C ATOM 247 CD1 PHE A 19 4.687 -1.828 2.684 1.00 53.55 C ATOM 248 CD2 PHE A 19 4.488 -2.870 4.883 1.00 41.11 C ATOM 249 CE1 PHE A 19 3.636 -0.953 3.015 1.00 72.44 C ATOM 250 CE2 PHE A 19 3.428 -2.005 5.202 1.00 72.32 C ATOM 251 CZ PHE A 19 3.007 -1.042 4.269 1.00 21.11 C ATOM 0 H PHE A 19 7.867 -5.369 2.696 1.00 14.54 H new ATOM 0 HA PHE A 19 5.592 -5.482 4.323 1.00 1.41 H new ATOM 0 HB2 PHE A 19 7.077 -3.543 3.990 1.00 14.12 H new ATOM 0 HB3 PHE A 19 6.638 -3.463 2.295 1.00 14.12 H new ATOM 0 HD1 PHE A 19 5.158 -1.770 1.714 1.00 53.55 H new ATOM 0 HD2 PHE A 19 4.819 -3.605 5.602 1.00 41.11 H new ATOM 0 HE1 PHE A 19 3.311 -0.209 2.302 1.00 72.44 H new ATOM 0 HE2 PHE A 19 2.938 -2.080 6.162 1.00 72.32 H new ATOM 0 HZ PHE A 19 2.199 -0.369 4.516 1.00 21.11 H new ATOM 261 N LEU A 20 4.870 -5.512 1.111 1.00 42.45 N ATOM 262 CA LEU A 20 3.842 -5.796 0.120 1.00 1.43 C ATOM 263 C LEU A 20 3.336 -7.219 0.330 1.00 1.33 C ATOM 264 O LEU A 20 2.129 -7.422 0.435 1.00 44.31 O ATOM 265 CB LEU A 20 4.407 -5.655 -1.306 1.00 21.54 C ATOM 266 CG LEU A 20 4.665 -4.209 -1.773 1.00 10.34 C ATOM 267 CD1 LEU A 20 5.579 -4.227 -3.005 1.00 13.23 C ATOM 268 CD2 LEU A 20 3.365 -3.475 -2.113 1.00 41.41 C ATOM 0 H LEU A 20 5.776 -5.301 0.692 1.00 42.45 H new ATOM 0 HA LEU A 20 3.026 -5.084 0.238 1.00 1.43 H new ATOM 0 HB2 LEU A 20 5.343 -6.211 -1.365 1.00 21.54 H new ATOM 0 HB3 LEU A 20 3.713 -6.126 -2.002 1.00 21.54 H new ATOM 0 HG LEU A 20 5.143 -3.674 -0.952 1.00 10.34 H new ATOM 0 HD11 LEU A 20 5.763 -3.205 -3.337 1.00 13.23 H new ATOM 0 HD12 LEU A 20 6.526 -4.701 -2.748 1.00 13.23 H new ATOM 0 HD13 LEU A 20 5.098 -4.788 -3.807 1.00 13.23 H new ATOM 0 HD21 LEU A 20 3.594 -2.460 -2.437 1.00 41.41 H new ATOM 0 HD22 LEU A 20 2.847 -4.004 -2.914 1.00 41.41 H new ATOM 0 HD23 LEU A 20 2.726 -3.438 -1.230 1.00 41.41 H new ATOM 280 N ASN A 21 4.244 -8.196 0.398 1.00 64.43 N ATOM 281 CA ASN A 21 3.881 -9.597 0.588 1.00 34.33 C ATOM 282 C ASN A 21 3.115 -9.789 1.888 1.00 52.03 C ATOM 283 O ASN A 21 2.062 -10.417 1.885 1.00 62.04 O ATOM 284 CB ASN A 21 5.131 -10.476 0.570 1.00 33.32 C ATOM 285 CG ASN A 21 4.794 -11.945 0.808 1.00 15.43 C ATOM 286 OD1 ASN A 21 3.838 -12.466 0.243 1.00 20.13 O ATOM 287 ND2 ASN A 21 5.588 -12.646 1.593 1.00 22.23 N ATOM 0 H ASN A 21 5.248 -8.036 0.323 1.00 64.43 H new ATOM 0 HA ASN A 21 3.231 -9.895 -0.235 1.00 34.33 H new ATOM 0 HB2 ASN A 21 5.636 -10.370 -0.390 1.00 33.32 H new ATOM 0 HB3 ASN A 21 5.827 -10.134 1.336 1.00 33.32 H new ATOM 0 HD21 ASN A 21 5.412 -13.640 1.739 1.00 22.23 H new ATOM 0 HD22 ASN A 21 6.378 -12.194 2.054 1.00 22.23 H new ATOM 294 N SER A 22 3.599 -9.209 2.986 1.00 54.55 N ATOM 295 CA SER A 22 2.974 -9.298 4.293 1.00 44.03 C ATOM 296 C SER A 22 1.514 -8.845 4.202 1.00 50.51 C ATOM 297 O SER A 22 0.615 -9.557 4.656 1.00 0.53 O ATOM 298 CB SER A 22 3.806 -8.458 5.267 1.00 24.12 C ATOM 299 OG SER A 22 3.453 -8.744 6.592 1.00 14.12 O ATOM 0 H SER A 22 4.455 -8.654 2.985 1.00 54.55 H new ATOM 0 HA SER A 22 2.951 -10.324 4.660 1.00 44.03 H new ATOM 0 HB2 SER A 22 4.866 -8.660 5.116 1.00 24.12 H new ATOM 0 HB3 SER A 22 3.652 -7.398 5.065 1.00 24.12 H new ATOM 0 HG SER A 22 3.891 -9.573 6.876 1.00 14.12 H new ATOM 305 N PHE A 23 1.270 -7.698 3.560 1.00 55.03 N ATOM 306 CA PHE A 23 -0.071 -7.164 3.380 1.00 40.32 C ATOM 307 C PHE A 23 -0.910 -8.131 2.554 1.00 34.20 C ATOM 308 O PHE A 23 -2.069 -8.345 2.891 1.00 74.32 O ATOM 309 CB PHE A 23 0.019 -5.771 2.749 1.00 1.34 C ATOM 310 CG PHE A 23 -1.289 -5.163 2.283 1.00 75.33 C ATOM 311 CD1 PHE A 23 -1.636 -5.213 0.920 1.00 44.03 C ATOM 312 CD2 PHE A 23 -2.145 -4.518 3.196 1.00 63.33 C ATOM 313 CE1 PHE A 23 -2.826 -4.619 0.470 1.00 32.33 C ATOM 314 CE2 PHE A 23 -3.336 -3.921 2.744 1.00 11.34 C ATOM 315 CZ PHE A 23 -3.677 -3.972 1.381 1.00 5.50 C ATOM 0 H PHE A 23 2.003 -7.117 3.152 1.00 55.03 H new ATOM 0 HA PHE A 23 -0.570 -7.057 4.343 1.00 40.32 H new ATOM 0 HB2 PHE A 23 0.472 -5.095 3.474 1.00 1.34 H new ATOM 0 HB3 PHE A 23 0.696 -5.824 1.896 1.00 1.34 H new ATOM 0 HD1 PHE A 23 -0.984 -5.710 0.217 1.00 44.03 H new ATOM 0 HD2 PHE A 23 -1.887 -4.482 4.244 1.00 63.33 H new ATOM 0 HE1 PHE A 23 -3.087 -4.660 -0.577 1.00 32.33 H new ATOM 0 HE2 PHE A 23 -3.989 -3.423 3.445 1.00 11.34 H new ATOM 0 HZ PHE A 23 -4.592 -3.514 1.035 1.00 5.50 H new ATOM 325 N LEU A 24 -0.363 -8.729 1.491 1.00 12.30 N ATOM 326 CA LEU A 24 -1.117 -9.681 0.669 1.00 44.22 C ATOM 327 C LEU A 24 -1.492 -10.914 1.494 1.00 34.22 C ATOM 328 O LEU A 24 -2.623 -11.399 1.384 1.00 24.31 O ATOM 329 CB LEU A 24 -0.359 -10.105 -0.605 1.00 72.53 C ATOM 330 CG LEU A 24 -0.098 -8.991 -1.636 1.00 62.24 C ATOM 331 CD1 LEU A 24 0.485 -9.591 -2.919 1.00 41.43 C ATOM 332 CD2 LEU A 24 -1.344 -8.173 -1.990 1.00 71.14 C ATOM 0 H LEU A 24 0.596 -8.572 1.180 1.00 12.30 H new ATOM 0 HA LEU A 24 -2.022 -9.168 0.344 1.00 44.22 H new ATOM 0 HB2 LEU A 24 0.600 -10.531 -0.309 1.00 72.53 H new ATOM 0 HB3 LEU A 24 -0.924 -10.899 -1.093 1.00 72.53 H new ATOM 0 HG LEU A 24 0.610 -8.308 -1.167 1.00 62.24 H new ATOM 0 HD11 LEU A 24 0.666 -8.796 -3.643 1.00 41.43 H new ATOM 0 HD12 LEU A 24 1.424 -10.095 -2.691 1.00 41.43 H new ATOM 0 HD13 LEU A 24 -0.220 -10.309 -3.338 1.00 41.43 H new ATOM 0 HD21 LEU A 24 -1.082 -7.408 -2.721 1.00 71.14 H new ATOM 0 HD22 LEU A 24 -2.104 -8.831 -2.411 1.00 71.14 H new ATOM 0 HD23 LEU A 24 -1.734 -7.696 -1.091 1.00 71.14 H new ATOM 344 N GLN A 25 -0.575 -11.416 2.326 1.00 43.42 N ATOM 345 CA GLN A 25 -0.801 -12.574 3.180 1.00 73.31 C ATOM 346 C GLN A 25 -1.941 -12.272 4.160 1.00 62.50 C ATOM 347 O GLN A 25 -2.854 -13.087 4.312 1.00 24.34 O ATOM 348 CB GLN A 25 0.477 -12.941 3.966 1.00 5.31 C ATOM 349 CG GLN A 25 1.644 -13.484 3.126 1.00 21.24 C ATOM 350 CD GLN A 25 1.371 -14.892 2.618 1.00 40.13 C ATOM 351 OE1 GLN A 25 0.842 -15.074 1.525 1.00 53.22 O ATOM 352 NE2 GLN A 25 1.712 -15.919 3.376 1.00 3.41 N ATOM 0 H GLN A 25 0.359 -11.019 2.423 1.00 43.42 H new ATOM 0 HA GLN A 25 -1.070 -13.421 2.549 1.00 73.31 H new ATOM 0 HB2 GLN A 25 0.820 -12.055 4.500 1.00 5.31 H new ATOM 0 HB3 GLN A 25 0.217 -13.686 4.718 1.00 5.31 H new ATOM 0 HG2 GLN A 25 1.821 -12.821 2.279 1.00 21.24 H new ATOM 0 HG3 GLN A 25 2.554 -13.485 3.726 1.00 21.24 H new ATOM 0 HE21 GLN A 25 2.151 -15.760 4.283 1.00 3.41 H new ATOM 0 HE22 GLN A 25 1.536 -16.871 3.054 1.00 3.41 H new ATOM 361 N GLY A 26 -1.909 -11.109 4.821 1.00 4.15 N ATOM 362 CA GLY A 26 -2.924 -10.723 5.793 1.00 40.30 C ATOM 363 C GLY A 26 -4.266 -10.378 5.170 1.00 72.23 C ATOM 364 O GLY A 26 -5.296 -10.876 5.632 1.00 12.43 O ATOM 0 H GLY A 26 -1.175 -10.412 4.693 1.00 4.15 H new ATOM 0 HA2 GLY A 26 -3.062 -11.538 6.504 1.00 40.30 H new ATOM 0 HA3 GLY A 26 -2.564 -9.864 6.359 1.00 40.30 H new ATOM 368 N LEU A 27 -4.265 -9.538 4.133 1.00 24.01 N ATOM 369 CA LEU A 27 -5.457 -9.097 3.417 1.00 1.03 C ATOM 370 C LEU A 27 -6.221 -10.289 2.863 1.00 12.21 C ATOM 371 O LEU A 27 -7.446 -10.239 2.853 1.00 23.54 O ATOM 372 CB LEU A 27 -5.067 -8.175 2.254 1.00 20.43 C ATOM 373 CG LEU A 27 -6.236 -7.466 1.557 1.00 2.33 C ATOM 374 CD1 LEU A 27 -6.733 -6.265 2.373 1.00 72.54 C ATOM 375 CD2 LEU A 27 -5.750 -7.037 0.175 1.00 15.22 C ATOM 0 H LEU A 27 -3.406 -9.135 3.759 1.00 24.01 H new ATOM 0 HA LEU A 27 -6.090 -8.556 4.120 1.00 1.03 H new ATOM 0 HB2 LEU A 27 -4.376 -7.419 2.628 1.00 20.43 H new ATOM 0 HB3 LEU A 27 -4.526 -8.763 1.512 1.00 20.43 H new ATOM 0 HG LEU A 27 -7.086 -8.142 1.466 1.00 2.33 H new ATOM 0 HD11 LEU A 27 -7.561 -5.787 1.849 1.00 72.54 H new ATOM 0 HD12 LEU A 27 -7.071 -6.605 3.352 1.00 72.54 H new ATOM 0 HD13 LEU A 27 -5.921 -5.549 2.498 1.00 72.54 H new ATOM 0 HD21 LEU A 27 -6.557 -6.528 -0.352 1.00 15.22 H new ATOM 0 HD22 LEU A 27 -4.902 -6.361 0.281 1.00 15.22 H new ATOM 0 HD23 LEU A 27 -5.444 -7.916 -0.392 1.00 15.22 H new ATOM 387 N SER A 28 -5.545 -11.355 2.434 1.00 40.14 N ATOM 388 CA SER A 28 -6.222 -12.518 1.889 1.00 53.35 C ATOM 389 C SER A 28 -7.263 -13.072 2.863 1.00 62.10 C ATOM 390 O SER A 28 -8.364 -13.443 2.465 1.00 70.41 O ATOM 391 CB SER A 28 -5.180 -13.590 1.552 1.00 73.34 C ATOM 392 OG SER A 28 -5.746 -14.629 0.790 1.00 11.41 O ATOM 0 H SER A 28 -4.528 -11.431 2.456 1.00 40.14 H new ATOM 0 HA SER A 28 -6.753 -12.221 0.985 1.00 53.35 H new ATOM 0 HB2 SER A 28 -4.355 -13.139 1.000 1.00 73.34 H new ATOM 0 HB3 SER A 28 -4.762 -13.997 2.473 1.00 73.34 H new ATOM 0 HG SER A 28 -5.059 -15.298 0.588 1.00 11.41 H new ATOM 398 N SER A 29 -6.936 -13.092 4.155 1.00 25.42 N ATOM 399 CA SER A 29 -7.799 -13.615 5.203 1.00 52.31 C ATOM 400 C SER A 29 -8.732 -12.554 5.815 1.00 63.32 C ATOM 401 O SER A 29 -9.313 -12.792 6.876 1.00 15.51 O ATOM 402 CB SER A 29 -6.906 -14.331 6.228 1.00 43.02 C ATOM 403 OG SER A 29 -5.969 -15.176 5.557 1.00 1.12 O ATOM 0 H SER A 29 -6.046 -12.737 4.505 1.00 25.42 H new ATOM 0 HA SER A 29 -8.500 -14.334 4.778 1.00 52.31 H new ATOM 0 HB2 SER A 29 -6.376 -13.597 6.835 1.00 43.02 H new ATOM 0 HB3 SER A 29 -7.520 -14.923 6.907 1.00 43.02 H new ATOM 0 HG SER A 29 -5.403 -15.627 6.218 1.00 1.12 H new ATOM 409 N MET A 30 -8.879 -11.380 5.190 1.00 25.51 N ATOM 410 CA MET A 30 -9.730 -10.285 5.643 1.00 63.34 C ATOM 411 C MET A 30 -10.977 -10.169 4.751 1.00 34.21 C ATOM 412 O MET A 30 -10.936 -10.583 3.592 1.00 32.14 O ATOM 413 CB MET A 30 -8.880 -9.008 5.654 1.00 32.12 C ATOM 414 CG MET A 30 -7.892 -9.064 6.820 1.00 72.23 C ATOM 415 SD MET A 30 -8.652 -8.777 8.431 1.00 23.21 S ATOM 416 CE MET A 30 -8.981 -7.020 8.243 1.00 52.34 C ATOM 0 H MET A 30 -8.388 -11.163 4.323 1.00 25.51 H new ATOM 0 HA MET A 30 -10.103 -10.465 6.651 1.00 63.34 H new ATOM 0 HB2 MET A 30 -8.342 -8.908 4.711 1.00 32.12 H new ATOM 0 HB3 MET A 30 -9.522 -8.132 5.749 1.00 32.12 H new ATOM 0 HG2 MET A 30 -7.406 -10.040 6.826 1.00 72.23 H new ATOM 0 HG3 MET A 30 -7.111 -8.320 6.659 1.00 72.23 H new ATOM 0 HE1 MET A 30 -9.205 -6.586 9.217 1.00 52.34 H new ATOM 0 HE2 MET A 30 -8.105 -6.529 7.820 1.00 52.34 H new ATOM 0 HE3 MET A 30 -9.833 -6.878 7.578 1.00 52.34 H new ATOM 426 N PRO A 31 -12.062 -9.526 5.226 1.00 45.15 N ATOM 427 CA PRO A 31 -13.317 -9.377 4.480 1.00 14.30 C ATOM 428 C PRO A 31 -13.321 -8.321 3.372 1.00 70.11 C ATOM 429 O PRO A 31 -14.370 -7.902 2.880 1.00 60.20 O ATOM 430 CB PRO A 31 -14.353 -9.082 5.554 1.00 71.11 C ATOM 431 CG PRO A 31 -13.574 -8.299 6.600 1.00 44.22 C ATOM 432 CD PRO A 31 -12.212 -8.992 6.575 1.00 15.42 C ATOM 0 HA PRO A 31 -13.516 -10.285 3.911 1.00 14.30 H new ATOM 0 HB2 PRO A 31 -15.186 -8.502 5.158 1.00 71.11 H new ATOM 0 HB3 PRO A 31 -14.772 -9.999 5.969 1.00 71.11 H new ATOM 0 HG2 PRO A 31 -13.498 -7.242 6.344 1.00 44.22 H new ATOM 0 HG3 PRO A 31 -14.042 -8.356 7.583 1.00 44.22 H new ATOM 0 HD2 PRO A 31 -11.412 -8.290 6.809 1.00 15.42 H new ATOM 0 HD3 PRO A 31 -12.165 -9.788 7.318 1.00 15.42 H new ATOM 440 N GLY A 32 -12.154 -7.815 3.011 1.00 15.03 N ATOM 441 CA GLY A 32 -11.990 -6.832 1.960 1.00 33.25 C ATOM 442 C GLY A 32 -12.001 -7.575 0.642 1.00 41.44 C ATOM 443 O GLY A 32 -13.050 -7.787 0.032 1.00 71.40 O ATOM 0 H GLY A 32 -11.275 -8.084 3.453 1.00 15.03 H new ATOM 0 HA2 GLY A 32 -12.794 -6.097 1.993 1.00 33.25 H new ATOM 0 HA3 GLY A 32 -11.054 -6.287 2.086 1.00 33.25 H new ATOM 447 N PHE A 33 -10.802 -7.877 0.168 1.00 63.23 N ATOM 448 CA PHE A 33 -10.535 -8.605 -1.053 1.00 3.23 C ATOM 449 C PHE A 33 -10.697 -10.095 -0.729 1.00 2.10 C ATOM 450 O PHE A 33 -10.897 -10.464 0.433 1.00 22.12 O ATOM 451 CB PHE A 33 -9.086 -8.314 -1.476 1.00 54.13 C ATOM 452 CG PHE A 33 -8.749 -6.878 -1.844 1.00 34.11 C ATOM 453 CD1 PHE A 33 -8.882 -5.823 -0.914 1.00 41.11 C ATOM 454 CD2 PHE A 33 -8.215 -6.603 -3.117 1.00 74.24 C ATOM 455 CE1 PHE A 33 -8.602 -4.506 -1.299 1.00 60.13 C ATOM 456 CE2 PHE A 33 -7.884 -5.288 -3.478 1.00 12.42 C ATOM 457 CZ PHE A 33 -8.126 -4.230 -2.588 1.00 72.01 C ATOM 0 H PHE A 33 -9.947 -7.604 0.654 1.00 63.23 H new ATOM 0 HA PHE A 33 -11.209 -8.317 -1.859 1.00 3.23 H new ATOM 0 HB2 PHE A 33 -8.428 -8.618 -0.662 1.00 54.13 H new ATOM 0 HB3 PHE A 33 -8.849 -8.947 -2.331 1.00 54.13 H new ATOM 0 HD1 PHE A 33 -9.200 -6.033 0.096 1.00 41.11 H new ATOM 0 HD2 PHE A 33 -8.059 -7.408 -3.820 1.00 74.24 H new ATOM 0 HE1 PHE A 33 -8.754 -3.698 -0.598 1.00 60.13 H new ATOM 0 HE2 PHE A 33 -7.442 -5.089 -4.443 1.00 12.42 H new ATOM 0 HZ PHE A 33 -7.947 -3.210 -2.894 1.00 72.01 H new ATOM 467 N THR A 34 -10.623 -10.947 -1.741 1.00 60.42 N ATOM 468 CA THR A 34 -10.728 -12.391 -1.600 1.00 65.25 C ATOM 469 C THR A 34 -9.528 -13.015 -2.308 1.00 65.20 C ATOM 470 O THR A 34 -8.867 -12.347 -3.115 1.00 34.55 O ATOM 471 CB THR A 34 -12.080 -12.891 -2.118 1.00 25.20 C ATOM 472 OG1 THR A 34 -12.382 -12.308 -3.370 1.00 21.44 O ATOM 473 CG2 THR A 34 -13.214 -12.547 -1.152 1.00 21.34 C ATOM 0 H THR A 34 -10.485 -10.646 -2.706 1.00 60.42 H new ATOM 0 HA THR A 34 -10.700 -12.691 -0.553 1.00 65.25 H new ATOM 0 HB THR A 34 -11.998 -13.974 -2.213 1.00 25.20 H new ATOM 0 HG1 THR A 34 -13.248 -12.641 -3.685 1.00 21.44 H new ATOM 0 HG21 THR A 34 -14.158 -12.917 -1.552 1.00 21.34 H new ATOM 0 HG22 THR A 34 -13.022 -13.013 -0.185 1.00 21.34 H new ATOM 0 HG23 THR A 34 -13.271 -11.466 -1.029 1.00 21.34 H new ATOM 481 N ALA A 35 -9.282 -14.301 -2.061 1.00 54.11 N ATOM 482 CA ALA A 35 -8.159 -15.042 -2.618 1.00 54.14 C ATOM 483 C ALA A 35 -7.995 -14.904 -4.140 1.00 53.41 C ATOM 484 O ALA A 35 -6.866 -14.753 -4.605 1.00 72.00 O ATOM 485 CB ALA A 35 -8.276 -16.501 -2.193 1.00 2.43 C ATOM 0 H ALA A 35 -9.874 -14.867 -1.453 1.00 54.11 H new ATOM 0 HA ALA A 35 -7.248 -14.601 -2.214 1.00 54.14 H new ATOM 0 HB1 ALA A 35 -7.440 -17.068 -2.604 1.00 2.43 H new ATOM 0 HB2 ALA A 35 -8.258 -16.566 -1.105 1.00 2.43 H new ATOM 0 HB3 ALA A 35 -9.213 -16.915 -2.566 1.00 2.43 H new ATOM 491 N SER A 36 -9.082 -14.898 -4.916 1.00 65.30 N ATOM 492 CA SER A 36 -9.019 -14.759 -6.369 1.00 33.11 C ATOM 493 C SER A 36 -8.386 -13.409 -6.739 1.00 41.01 C ATOM 494 O SER A 36 -7.395 -13.367 -7.472 1.00 55.10 O ATOM 495 CB SER A 36 -10.426 -14.962 -6.951 1.00 42.40 C ATOM 496 OG SER A 36 -10.981 -16.142 -6.396 1.00 32.30 O ATOM 0 H SER A 36 -10.030 -14.990 -4.552 1.00 65.30 H new ATOM 0 HA SER A 36 -8.378 -15.523 -6.808 1.00 33.11 H new ATOM 0 HB2 SER A 36 -11.057 -14.103 -6.722 1.00 42.40 H new ATOM 0 HB3 SER A 36 -10.378 -15.041 -8.037 1.00 42.40 H new ATOM 0 HG SER A 36 -11.881 -16.282 -6.758 1.00 32.30 H new ATOM 502 N GLN A 37 -8.915 -12.311 -6.190 1.00 1.20 N ATOM 503 CA GLN A 37 -8.439 -10.943 -6.410 1.00 42.03 C ATOM 504 C GLN A 37 -6.992 -10.790 -5.912 1.00 34.52 C ATOM 505 O GLN A 37 -6.193 -10.080 -6.521 1.00 34.51 O ATOM 506 CB GLN A 37 -9.379 -9.961 -5.682 1.00 72.44 C ATOM 507 CG GLN A 37 -10.646 -9.603 -6.480 1.00 54.51 C ATOM 508 CD GLN A 37 -11.439 -10.802 -6.995 1.00 75.51 C ATOM 509 OE1 GLN A 37 -11.518 -11.023 -8.198 1.00 75.24 O ATOM 510 NE2 GLN A 37 -12.014 -11.613 -6.122 1.00 45.02 N ATOM 0 H GLN A 37 -9.715 -12.353 -5.558 1.00 1.20 H new ATOM 0 HA GLN A 37 -8.446 -10.720 -7.477 1.00 42.03 H new ATOM 0 HB2 GLN A 37 -9.674 -10.396 -4.727 1.00 72.44 H new ATOM 0 HB3 GLN A 37 -8.831 -9.046 -5.460 1.00 72.44 H new ATOM 0 HG2 GLN A 37 -11.297 -8.999 -5.849 1.00 54.51 H new ATOM 0 HG3 GLN A 37 -10.360 -8.982 -7.329 1.00 54.51 H new ATOM 0 HE21 GLN A 37 -11.942 -11.420 -5.123 1.00 45.02 H new ATOM 0 HE22 GLN A 37 -12.529 -12.431 -6.448 1.00 45.02 H new ATOM 519 N LEU A 38 -6.634 -11.457 -4.809 1.00 44.33 N ATOM 520 CA LEU A 38 -5.296 -11.402 -4.231 1.00 71.03 C ATOM 521 C LEU A 38 -4.217 -11.971 -5.150 1.00 2.30 C ATOM 522 O LEU A 38 -3.053 -11.612 -4.960 1.00 31.03 O ATOM 523 CB LEU A 38 -5.258 -12.187 -2.899 1.00 71.13 C ATOM 524 CG LEU A 38 -5.330 -11.376 -1.600 1.00 12.43 C ATOM 525 CD1 LEU A 38 -4.285 -10.267 -1.541 1.00 13.53 C ATOM 526 CD2 LEU A 38 -6.711 -10.783 -1.348 1.00 32.34 C ATOM 0 H LEU A 38 -7.276 -12.056 -4.290 1.00 44.33 H new ATOM 0 HA LEU A 38 -5.081 -10.345 -4.074 1.00 71.03 H new ATOM 0 HB2 LEU A 38 -6.087 -12.894 -2.901 1.00 71.13 H new ATOM 0 HB3 LEU A 38 -4.339 -12.773 -2.880 1.00 71.13 H new ATOM 0 HG LEU A 38 -5.117 -12.097 -0.811 1.00 12.43 H new ATOM 0 HD11 LEU A 38 -4.382 -9.725 -0.600 1.00 13.53 H new ATOM 0 HD12 LEU A 38 -3.288 -10.703 -1.608 1.00 13.53 H new ATOM 0 HD13 LEU A 38 -4.437 -9.579 -2.373 1.00 13.53 H new ATOM 0 HD21 LEU A 38 -6.700 -10.220 -0.415 1.00 32.34 H new ATOM 0 HD22 LEU A 38 -6.977 -10.118 -2.170 1.00 32.34 H new ATOM 0 HD23 LEU A 38 -7.445 -11.586 -1.279 1.00 32.34 H new ATOM 538 N ASP A 39 -4.545 -12.868 -6.085 1.00 75.35 N ATOM 539 CA ASP A 39 -3.522 -13.426 -6.970 1.00 54.33 C ATOM 540 C ASP A 39 -3.072 -12.376 -7.980 1.00 20.11 C ATOM 541 O ASP A 39 -1.876 -12.208 -8.217 1.00 65.41 O ATOM 542 CB ASP A 39 -3.991 -14.699 -7.672 1.00 72.33 C ATOM 543 CG ASP A 39 -2.751 -15.438 -8.171 1.00 33.42 C ATOM 544 OD1 ASP A 39 -2.358 -15.254 -9.341 1.00 63.32 O ATOM 545 OD2 ASP A 39 -2.146 -16.166 -7.350 1.00 32.32 O ATOM 0 H ASP A 39 -5.490 -13.216 -6.246 1.00 75.35 H new ATOM 0 HA ASP A 39 -2.671 -13.709 -6.351 1.00 54.33 H new ATOM 0 HB2 ASP A 39 -4.560 -15.327 -6.986 1.00 72.33 H new ATOM 0 HB3 ASP A 39 -4.652 -14.456 -8.504 1.00 72.33 H new ATOM 550 N ASP A 40 -4.023 -11.616 -8.529 1.00 62.14 N ATOM 551 CA ASP A 40 -3.733 -10.556 -9.496 1.00 72.12 C ATOM 552 C ASP A 40 -2.843 -9.511 -8.830 1.00 12.30 C ATOM 553 O ASP A 40 -1.877 -9.019 -9.419 1.00 42.33 O ATOM 554 CB ASP A 40 -5.026 -9.913 -10.022 1.00 51.51 C ATOM 555 CG ASP A 40 -5.217 -10.296 -11.479 1.00 64.54 C ATOM 556 OD1 ASP A 40 -6.025 -11.198 -11.771 1.00 63.42 O ATOM 557 OD2 ASP A 40 -4.457 -9.787 -12.335 1.00 11.32 O ATOM 0 H ASP A 40 -5.015 -11.719 -8.315 1.00 62.14 H new ATOM 0 HA ASP A 40 -3.215 -10.987 -10.353 1.00 72.12 H new ATOM 0 HB2 ASP A 40 -5.879 -10.247 -9.431 1.00 51.51 H new ATOM 0 HB3 ASP A 40 -4.974 -8.829 -9.922 1.00 51.51 H new ATOM 562 N LEU A 41 -3.156 -9.221 -7.564 1.00 35.43 N ATOM 563 CA LEU A 41 -2.466 -8.289 -6.690 1.00 13.11 C ATOM 564 C LEU A 41 -0.976 -8.632 -6.558 1.00 70.32 C ATOM 565 O LEU A 41 -0.179 -7.734 -6.269 1.00 55.15 O ATOM 566 CB LEU A 41 -3.166 -8.229 -5.320 1.00 21.14 C ATOM 567 CG LEU A 41 -3.977 -6.952 -5.036 1.00 31.10 C ATOM 568 CD1 LEU A 41 -3.074 -5.722 -4.912 1.00 4.43 C ATOM 569 CD2 LEU A 41 -5.077 -6.698 -6.068 1.00 15.40 C ATOM 0 H LEU A 41 -3.950 -9.663 -7.100 1.00 35.43 H new ATOM 0 HA LEU A 41 -2.515 -7.297 -7.139 1.00 13.11 H new ATOM 0 HB2 LEU A 41 -3.834 -9.087 -5.237 1.00 21.14 H new ATOM 0 HB3 LEU A 41 -2.410 -8.337 -4.542 1.00 21.14 H new ATOM 0 HG LEU A 41 -4.467 -7.124 -4.078 1.00 31.10 H new ATOM 0 HD11 LEU A 41 -3.684 -4.841 -4.712 1.00 4.43 H new ATOM 0 HD12 LEU A 41 -2.369 -5.869 -4.094 1.00 4.43 H new ATOM 0 HD13 LEU A 41 -2.525 -5.579 -5.842 1.00 4.43 H new ATOM 0 HD21 LEU A 41 -5.612 -5.784 -5.812 1.00 15.40 H new ATOM 0 HD22 LEU A 41 -4.631 -6.592 -7.057 1.00 15.40 H new ATOM 0 HD23 LEU A 41 -5.773 -7.537 -6.072 1.00 15.40 H new ATOM 581 N SER A 42 -0.606 -9.911 -6.675 1.00 62.14 N ATOM 582 CA SER A 42 0.765 -10.390 -6.583 1.00 74.31 C ATOM 583 C SER A 42 1.631 -9.748 -7.675 1.00 71.43 C ATOM 584 O SER A 42 2.672 -9.165 -7.368 1.00 3.33 O ATOM 585 CB SER A 42 0.764 -11.922 -6.673 1.00 75.53 C ATOM 586 OG SER A 42 1.975 -12.459 -6.186 1.00 24.35 O ATOM 0 H SER A 42 -1.278 -10.660 -6.841 1.00 62.14 H new ATOM 0 HA SER A 42 1.200 -10.102 -5.626 1.00 74.31 H new ATOM 0 HB2 SER A 42 -0.072 -12.323 -6.100 1.00 75.53 H new ATOM 0 HB3 SER A 42 0.617 -12.229 -7.709 1.00 75.53 H new ATOM 0 HG SER A 42 1.949 -13.436 -6.252 1.00 24.35 H new ATOM 592 N THR A 43 1.206 -9.798 -8.941 1.00 41.42 N ATOM 593 CA THR A 43 1.961 -9.219 -10.052 1.00 55.23 C ATOM 594 C THR A 43 2.089 -7.701 -9.874 1.00 50.32 C ATOM 595 O THR A 43 3.122 -7.123 -10.227 1.00 5.42 O ATOM 596 CB THR A 43 1.261 -9.579 -11.370 1.00 62.31 C ATOM 597 OG1 THR A 43 0.904 -10.947 -11.350 1.00 53.54 O ATOM 598 CG2 THR A 43 2.125 -9.286 -12.600 1.00 74.32 C ATOM 0 H THR A 43 0.331 -10.240 -9.222 1.00 41.42 H new ATOM 0 HA THR A 43 2.971 -9.628 -10.071 1.00 55.23 H new ATOM 0 HB THR A 43 0.373 -8.952 -11.450 1.00 62.31 H new ATOM 0 HG1 THR A 43 0.455 -11.180 -12.189 1.00 53.54 H new ATOM 0 HG21 THR A 43 1.578 -9.560 -13.502 1.00 74.32 H new ATOM 0 HG22 THR A 43 2.366 -8.223 -12.631 1.00 74.32 H new ATOM 0 HG23 THR A 43 3.047 -9.865 -12.544 1.00 74.32 H new ATOM 606 N ILE A 44 1.060 -7.063 -9.302 1.00 30.53 N ATOM 607 CA ILE A 44 1.029 -5.630 -9.038 1.00 71.11 C ATOM 608 C ILE A 44 2.114 -5.337 -7.995 1.00 44.23 C ATOM 609 O ILE A 44 2.905 -4.416 -8.187 1.00 51.41 O ATOM 610 CB ILE A 44 -0.394 -5.188 -8.611 1.00 4.41 C ATOM 611 CG1 ILE A 44 -1.386 -5.484 -9.763 1.00 54.32 C ATOM 612 CG2 ILE A 44 -0.423 -3.700 -8.213 1.00 12.51 C ATOM 613 CD1 ILE A 44 -2.842 -5.098 -9.491 1.00 41.22 C ATOM 0 H ILE A 44 0.211 -7.544 -9.006 1.00 30.53 H new ATOM 0 HA ILE A 44 1.247 -5.045 -9.932 1.00 71.11 H new ATOM 0 HB ILE A 44 -0.694 -5.755 -7.730 1.00 4.41 H new ATOM 0 HG12 ILE A 44 -1.049 -4.956 -10.655 1.00 54.32 H new ATOM 0 HG13 ILE A 44 -1.346 -6.550 -9.989 1.00 54.32 H new ATOM 0 HG21 ILE A 44 -1.435 -3.422 -7.919 1.00 12.51 H new ATOM 0 HG22 ILE A 44 0.257 -3.534 -7.377 1.00 12.51 H new ATOM 0 HG23 ILE A 44 -0.111 -3.090 -9.061 1.00 12.51 H new ATOM 0 HD11 ILE A 44 -3.453 -5.347 -10.359 1.00 41.22 H new ATOM 0 HD12 ILE A 44 -3.207 -5.645 -8.622 1.00 41.22 H new ATOM 0 HD13 ILE A 44 -2.905 -4.027 -9.298 1.00 41.22 H new ATOM 625 N ALA A 45 2.190 -6.119 -6.909 1.00 75.11 N ATOM 626 CA ALA A 45 3.200 -5.932 -5.873 1.00 11.03 C ATOM 627 C ALA A 45 4.581 -6.000 -6.518 1.00 61.35 C ATOM 628 O ALA A 45 5.389 -5.084 -6.350 1.00 32.12 O ATOM 629 CB ALA A 45 3.070 -6.992 -4.768 1.00 52.03 C ATOM 0 H ALA A 45 1.553 -6.895 -6.730 1.00 75.11 H new ATOM 0 HA ALA A 45 3.055 -4.958 -5.406 1.00 11.03 H new ATOM 0 HB1 ALA A 45 3.837 -6.825 -4.012 1.00 52.03 H new ATOM 0 HB2 ALA A 45 2.084 -6.919 -4.308 1.00 52.03 H new ATOM 0 HB3 ALA A 45 3.196 -7.985 -5.200 1.00 52.03 H new ATOM 635 N GLN A 46 4.841 -7.053 -7.297 1.00 75.41 N ATOM 636 CA GLN A 46 6.111 -7.219 -7.965 1.00 74.14 C ATOM 637 C GLN A 46 6.391 -6.054 -8.933 1.00 2.53 C ATOM 638 O GLN A 46 7.560 -5.706 -9.128 1.00 42.12 O ATOM 639 CB GLN A 46 6.133 -8.585 -8.663 1.00 60.45 C ATOM 640 CG GLN A 46 6.199 -9.771 -7.687 1.00 3.21 C ATOM 641 CD GLN A 46 6.931 -10.962 -8.304 1.00 32.54 C ATOM 642 OE1 GLN A 46 8.160 -11.005 -8.333 1.00 64.33 O ATOM 643 NE2 GLN A 46 6.228 -11.958 -8.810 1.00 10.44 N ATOM 0 H GLN A 46 4.174 -7.804 -7.475 1.00 75.41 H new ATOM 0 HA GLN A 46 6.917 -7.196 -7.232 1.00 74.14 H new ATOM 0 HB2 GLN A 46 5.241 -8.683 -9.281 1.00 60.45 H new ATOM 0 HB3 GLN A 46 6.991 -8.628 -9.333 1.00 60.45 H new ATOM 0 HG2 GLN A 46 6.707 -9.464 -6.773 1.00 3.21 H new ATOM 0 HG3 GLN A 46 5.189 -10.069 -7.406 1.00 3.21 H new ATOM 0 HE21 GLN A 46 5.209 -11.926 -8.788 1.00 10.44 H new ATOM 0 HE22 GLN A 46 6.704 -12.760 -9.223 1.00 10.44 H new ATOM 652 N SER A 47 5.365 -5.422 -9.521 1.00 61.21 N ATOM 653 CA SER A 47 5.552 -4.293 -10.423 1.00 74.45 C ATOM 654 C SER A 47 6.143 -3.126 -9.634 1.00 44.34 C ATOM 655 O SER A 47 7.078 -2.478 -10.116 1.00 21.43 O ATOM 656 CB SER A 47 4.240 -3.878 -11.111 1.00 73.24 C ATOM 657 OG SER A 47 4.495 -2.811 -12.013 1.00 65.32 O ATOM 0 H SER A 47 4.389 -5.683 -9.381 1.00 61.21 H new ATOM 0 HA SER A 47 6.237 -4.591 -11.217 1.00 74.45 H new ATOM 0 HB2 SER A 47 3.813 -4.726 -11.646 1.00 73.24 H new ATOM 0 HB3 SER A 47 3.507 -3.570 -10.365 1.00 73.24 H new ATOM 0 HG SER A 47 3.660 -2.547 -12.453 1.00 65.32 H new ATOM 663 N LEU A 48 5.617 -2.842 -8.437 1.00 34.41 N ATOM 664 CA LEU A 48 6.130 -1.756 -7.610 1.00 1.14 C ATOM 665 C LEU A 48 7.570 -2.068 -7.220 1.00 75.40 C ATOM 666 O LEU A 48 8.407 -1.164 -7.222 1.00 52.41 O ATOM 667 CB LEU A 48 5.268 -1.512 -6.362 1.00 13.34 C ATOM 668 CG LEU A 48 4.033 -0.647 -6.673 1.00 71.34 C ATOM 669 CD1 LEU A 48 2.857 -1.445 -7.240 1.00 62.04 C ATOM 670 CD2 LEU A 48 3.565 0.069 -5.412 1.00 55.13 C ATOM 0 H LEU A 48 4.836 -3.352 -8.024 1.00 34.41 H new ATOM 0 HA LEU A 48 6.093 -0.836 -8.193 1.00 1.14 H new ATOM 0 HB2 LEU A 48 4.946 -2.469 -5.951 1.00 13.34 H new ATOM 0 HB3 LEU A 48 5.870 -1.023 -5.596 1.00 13.34 H new ATOM 0 HG LEU A 48 4.350 0.064 -7.436 1.00 71.34 H new ATOM 0 HD11 LEU A 48 2.022 -0.773 -7.436 1.00 62.04 H new ATOM 0 HD12 LEU A 48 3.159 -1.928 -8.169 1.00 62.04 H new ATOM 0 HD13 LEU A 48 2.551 -2.204 -6.520 1.00 62.04 H new ATOM 0 HD21 LEU A 48 2.691 0.678 -5.643 1.00 55.13 H new ATOM 0 HD22 LEU A 48 3.304 -0.667 -4.651 1.00 55.13 H new ATOM 0 HD23 LEU A 48 4.365 0.709 -5.039 1.00 55.13 H new ATOM 682 N VAL A 49 7.877 -3.332 -6.907 1.00 10.22 N ATOM 683 CA VAL A 49 9.235 -3.722 -6.550 1.00 12.54 C ATOM 684 C VAL A 49 10.145 -3.425 -7.748 1.00 51.45 C ATOM 685 O VAL A 49 11.209 -2.865 -7.525 1.00 53.23 O ATOM 686 CB VAL A 49 9.285 -5.171 -6.030 1.00 64.41 C ATOM 687 CG1 VAL A 49 10.716 -5.644 -5.739 1.00 41.13 C ATOM 688 CG2 VAL A 49 8.483 -5.277 -4.727 1.00 20.30 C ATOM 0 H VAL A 49 7.202 -4.096 -6.895 1.00 10.22 H new ATOM 0 HA VAL A 49 9.608 -3.137 -5.710 1.00 12.54 H new ATOM 0 HB VAL A 49 8.864 -5.801 -6.814 1.00 64.41 H new ATOM 0 HG11 VAL A 49 10.693 -6.671 -5.375 1.00 41.13 H new ATOM 0 HG12 VAL A 49 11.308 -5.596 -6.653 1.00 41.13 H new ATOM 0 HG13 VAL A 49 11.165 -5.001 -4.982 1.00 41.13 H new ATOM 0 HG21 VAL A 49 8.519 -6.303 -4.360 1.00 20.30 H new ATOM 0 HG22 VAL A 49 8.912 -4.609 -3.980 1.00 20.30 H new ATOM 0 HG23 VAL A 49 7.447 -4.995 -4.914 1.00 20.30 H new ATOM 698 N GLN A 50 9.738 -3.693 -8.998 1.00 64.14 N ATOM 699 CA GLN A 50 10.557 -3.398 -10.183 1.00 62.44 C ATOM 700 C GLN A 50 10.870 -1.897 -10.250 1.00 32.32 C ATOM 701 O GLN A 50 11.991 -1.498 -10.587 1.00 13.42 O ATOM 702 CB GLN A 50 9.826 -3.802 -11.476 1.00 64.12 C ATOM 703 CG GLN A 50 10.348 -5.093 -12.099 1.00 24.23 C ATOM 704 CD GLN A 50 9.658 -5.345 -13.433 1.00 71.13 C ATOM 705 OE1 GLN A 50 9.890 -4.661 -14.426 1.00 60.50 O ATOM 706 NE2 GLN A 50 8.761 -6.315 -13.506 1.00 44.24 N ATOM 0 H GLN A 50 8.837 -4.118 -9.215 1.00 64.14 H new ATOM 0 HA GLN A 50 11.480 -3.972 -10.096 1.00 62.44 H new ATOM 0 HB2 GLN A 50 8.764 -3.917 -11.261 1.00 64.12 H new ATOM 0 HB3 GLN A 50 9.919 -2.995 -12.203 1.00 64.12 H new ATOM 0 HG2 GLN A 50 11.426 -5.026 -12.245 1.00 24.23 H new ATOM 0 HG3 GLN A 50 10.169 -5.930 -11.424 1.00 24.23 H new ATOM 0 HE21 GLN A 50 8.562 -6.888 -12.686 1.00 44.24 H new ATOM 0 HE22 GLN A 50 8.269 -6.490 -14.382 1.00 44.24 H new ATOM 715 N SER A 51 9.876 -1.052 -9.962 1.00 1.33 N ATOM 716 CA SER A 51 10.041 0.393 -9.970 1.00 51.22 C ATOM 717 C SER A 51 11.114 0.771 -8.938 1.00 21.24 C ATOM 718 O SER A 51 12.062 1.496 -9.244 1.00 44.15 O ATOM 719 CB SER A 51 8.691 1.062 -9.667 1.00 0.13 C ATOM 720 OG SER A 51 7.627 0.489 -10.412 1.00 33.15 O ATOM 0 H SER A 51 8.934 -1.358 -9.717 1.00 1.33 H new ATOM 0 HA SER A 51 10.369 0.742 -10.949 1.00 51.22 H new ATOM 0 HB2 SER A 51 8.475 0.974 -8.602 1.00 0.13 H new ATOM 0 HB3 SER A 51 8.757 2.127 -9.892 1.00 0.13 H new ATOM 0 HG SER A 51 6.788 0.943 -10.187 1.00 33.15 H new ATOM 726 N ILE A 52 10.991 0.239 -7.719 1.00 24.33 N ATOM 727 CA ILE A 52 11.914 0.484 -6.619 1.00 23.12 C ATOM 728 C ILE A 52 13.310 -0.058 -6.978 1.00 75.01 C ATOM 729 O ILE A 52 14.291 0.646 -6.749 1.00 33.52 O ATOM 730 CB ILE A 52 11.313 -0.081 -5.306 1.00 10.11 C ATOM 731 CG1 ILE A 52 10.019 0.690 -4.950 1.00 55.33 C ATOM 732 CG2 ILE A 52 12.300 0.035 -4.133 1.00 34.42 C ATOM 733 CD1 ILE A 52 9.200 0.074 -3.812 1.00 12.21 C ATOM 0 H ILE A 52 10.227 -0.388 -7.469 1.00 24.33 H new ATOM 0 HA ILE A 52 12.052 1.552 -6.448 1.00 23.12 H new ATOM 0 HB ILE A 52 11.095 -1.136 -5.471 1.00 10.11 H new ATOM 0 HG12 ILE A 52 10.284 1.711 -4.677 1.00 55.33 H new ATOM 0 HG13 ILE A 52 9.392 0.750 -5.839 1.00 55.33 H new ATOM 0 HG21 ILE A 52 11.842 -0.371 -3.231 1.00 34.42 H new ATOM 0 HG22 ILE A 52 13.207 -0.524 -4.364 1.00 34.42 H new ATOM 0 HG23 ILE A 52 12.552 1.083 -3.972 1.00 34.42 H new ATOM 0 HD11 ILE A 52 8.313 0.681 -3.632 1.00 12.21 H new ATOM 0 HD12 ILE A 52 8.899 -0.937 -4.086 1.00 12.21 H new ATOM 0 HD13 ILE A 52 9.805 0.039 -2.906 1.00 12.21 H new ATOM 745 N GLN A 53 13.424 -1.256 -7.560 1.00 72.35 N ATOM 746 CA GLN A 53 14.681 -1.885 -7.965 1.00 22.31 C ATOM 747 C GLN A 53 15.398 -1.018 -8.997 1.00 33.11 C ATOM 748 O GLN A 53 16.619 -0.867 -8.931 1.00 62.03 O ATOM 749 CB GLN A 53 14.429 -3.274 -8.572 1.00 63.11 C ATOM 750 CG GLN A 53 14.134 -4.363 -7.536 1.00 64.22 C ATOM 751 CD GLN A 53 13.850 -5.698 -8.218 1.00 32.34 C ATOM 752 OE1 GLN A 53 12.807 -5.874 -8.840 1.00 5.23 O ATOM 753 NE2 GLN A 53 14.759 -6.653 -8.128 1.00 23.24 N ATOM 0 H GLN A 53 12.611 -1.835 -7.769 1.00 72.35 H new ATOM 0 HA GLN A 53 15.301 -1.990 -7.075 1.00 22.31 H new ATOM 0 HB2 GLN A 53 13.590 -3.209 -9.265 1.00 63.11 H new ATOM 0 HB3 GLN A 53 15.302 -3.568 -9.155 1.00 63.11 H new ATOM 0 HG2 GLN A 53 14.983 -4.468 -6.861 1.00 64.22 H new ATOM 0 HG3 GLN A 53 13.278 -4.071 -6.928 1.00 64.22 H new ATOM 0 HE21 GLN A 53 15.620 -6.490 -7.607 1.00 23.24 H new ATOM 0 HE22 GLN A 53 14.599 -7.553 -8.580 1.00 23.24 H new ATOM 762 N SER A 54 14.653 -0.441 -9.944 1.00 25.32 N ATOM 763 CA SER A 54 15.212 0.421 -10.972 1.00 52.12 C ATOM 764 C SER A 54 15.931 1.590 -10.290 1.00 24.45 C ATOM 765 O SER A 54 17.020 1.977 -10.713 1.00 75.14 O ATOM 766 CB SER A 54 14.107 0.889 -11.925 1.00 12.30 C ATOM 767 OG SER A 54 13.436 -0.216 -12.522 1.00 51.42 O ATOM 0 H SER A 54 13.643 -0.563 -10.014 1.00 25.32 H new ATOM 0 HA SER A 54 15.938 -0.121 -11.577 1.00 52.12 H new ATOM 0 HB2 SER A 54 13.389 1.502 -11.380 1.00 12.30 H new ATOM 0 HB3 SER A 54 14.538 1.519 -12.703 1.00 12.30 H new ATOM 0 HG SER A 54 12.965 -0.726 -11.830 1.00 51.42 H new ATOM 773 N LEU A 55 15.357 2.141 -9.216 1.00 2.13 N ATOM 774 CA LEU A 55 15.972 3.236 -8.478 1.00 24.35 C ATOM 775 C LEU A 55 17.102 2.714 -7.598 1.00 1.12 C ATOM 776 O LEU A 55 18.110 3.404 -7.442 1.00 73.54 O ATOM 777 CB LEU A 55 14.925 3.980 -7.643 1.00 34.23 C ATOM 778 CG LEU A 55 14.296 5.166 -8.388 1.00 14.53 C ATOM 779 CD1 LEU A 55 15.322 6.262 -8.721 1.00 33.21 C ATOM 780 CD2 LEU A 55 13.586 4.738 -9.673 1.00 42.51 C ATOM 0 H LEU A 55 14.458 1.839 -8.840 1.00 2.13 H new ATOM 0 HA LEU A 55 16.395 3.942 -9.193 1.00 24.35 H new ATOM 0 HB2 LEU A 55 14.139 3.283 -7.351 1.00 34.23 H new ATOM 0 HB3 LEU A 55 15.389 4.340 -6.725 1.00 34.23 H new ATOM 0 HG LEU A 55 13.557 5.575 -7.699 1.00 14.53 H new ATOM 0 HD11 LEU A 55 14.826 7.077 -9.247 1.00 33.21 H new ATOM 0 HD12 LEU A 55 15.762 6.640 -7.799 1.00 33.21 H new ATOM 0 HD13 LEU A 55 16.106 5.846 -9.354 1.00 33.21 H new ATOM 0 HD21 LEU A 55 13.159 5.614 -10.162 1.00 42.51 H new ATOM 0 HD22 LEU A 55 14.302 4.262 -10.343 1.00 42.51 H new ATOM 0 HD23 LEU A 55 12.791 4.033 -9.432 1.00 42.51 H new ATOM 792 N ALA A 56 16.979 1.495 -7.060 1.00 40.13 N ATOM 793 CA ALA A 56 17.992 0.866 -6.219 1.00 72.20 C ATOM 794 C ALA A 56 19.315 0.771 -6.977 1.00 53.31 C ATOM 795 O ALA A 56 20.375 0.849 -6.357 1.00 34.20 O ATOM 796 CB ALA A 56 17.528 -0.508 -5.727 1.00 22.41 C ATOM 0 H ALA A 56 16.155 0.911 -7.203 1.00 40.13 H new ATOM 0 HA ALA A 56 18.146 1.487 -5.336 1.00 72.20 H new ATOM 0 HB1 ALA A 56 18.304 -0.952 -5.103 1.00 22.41 H new ATOM 0 HB2 ALA A 56 16.613 -0.396 -5.145 1.00 22.41 H new ATOM 0 HB3 ALA A 56 17.336 -1.155 -6.583 1.00 22.41 H new ATOM 802 N ALA A 57 19.268 0.674 -8.310 1.00 63.34 N ATOM 803 CA ALA A 57 20.453 0.606 -9.156 1.00 51.21 C ATOM 804 C ALA A 57 21.340 1.847 -8.968 1.00 5.24 C ATOM 805 O ALA A 57 22.520 1.818 -9.328 1.00 54.15 O ATOM 806 CB ALA A 57 20.013 0.462 -10.611 1.00 24.11 C ATOM 0 H ALA A 57 18.393 0.640 -8.833 1.00 63.34 H new ATOM 0 HA ALA A 57 21.050 -0.260 -8.871 1.00 51.21 H new ATOM 0 HB1 ALA A 57 20.892 0.410 -11.253 1.00 24.11 H new ATOM 0 HB2 ALA A 57 19.426 -0.449 -10.725 1.00 24.11 H new ATOM 0 HB3 ALA A 57 19.407 1.322 -10.895 1.00 24.11 H new ATOM 812 N GLN A 58 20.769 2.955 -8.489 1.00 11.05 N ATOM 813 CA GLN A 58 21.453 4.206 -8.207 1.00 22.14 C ATOM 814 C GLN A 58 21.416 4.530 -6.713 1.00 4.21 C ATOM 815 O GLN A 58 22.316 5.211 -6.233 1.00 41.20 O ATOM 816 CB GLN A 58 20.862 5.330 -9.066 1.00 61.15 C ATOM 817 CG GLN A 58 21.218 5.165 -10.552 1.00 15.41 C ATOM 818 CD GLN A 58 22.719 5.329 -10.776 1.00 62.35 C ATOM 819 OE1 GLN A 58 23.207 6.443 -10.939 1.00 11.00 O ATOM 820 NE2 GLN A 58 23.501 4.261 -10.734 1.00 53.14 N ATOM 0 H GLN A 58 19.772 3.000 -8.280 1.00 11.05 H new ATOM 0 HA GLN A 58 22.505 4.105 -8.473 1.00 22.14 H new ATOM 0 HB2 GLN A 58 19.778 5.342 -8.952 1.00 61.15 H new ATOM 0 HB3 GLN A 58 21.231 6.292 -8.709 1.00 61.15 H new ATOM 0 HG2 GLN A 58 20.900 4.182 -10.899 1.00 15.41 H new ATOM 0 HG3 GLN A 58 20.676 5.902 -11.144 1.00 15.41 H new ATOM 0 HE21 GLN A 58 23.094 3.336 -10.598 1.00 53.14 H new ATOM 0 HE22 GLN A 58 24.511 4.364 -10.837 1.00 53.14 H new ATOM 829 N GLY A 59 20.404 4.077 -5.967 1.00 45.33 N ATOM 830 CA GLY A 59 20.302 4.322 -4.534 1.00 64.32 C ATOM 831 C GLY A 59 19.981 5.785 -4.246 1.00 3.32 C ATOM 832 O GLY A 59 20.447 6.317 -3.237 1.00 72.44 O ATOM 0 H GLY A 59 19.632 3.529 -6.346 1.00 45.33 H new ATOM 0 HA2 GLY A 59 19.526 3.686 -4.108 1.00 64.32 H new ATOM 0 HA3 GLY A 59 21.239 4.050 -4.048 1.00 64.32 H new ATOM 836 N ARG A 60 19.276 6.479 -5.147 1.00 34.24 N ATOM 837 CA ARG A 60 18.936 7.885 -4.974 1.00 61.51 C ATOM 838 C ARG A 60 17.617 8.158 -5.671 1.00 61.23 C ATOM 839 O ARG A 60 17.540 8.069 -6.899 1.00 3.15 O ATOM 840 CB ARG A 60 20.072 8.731 -5.551 1.00 3.35 C ATOM 841 CG ARG A 60 19.893 10.206 -5.190 1.00 52.24 C ATOM 842 CD ARG A 60 21.155 10.980 -5.559 1.00 23.31 C ATOM 843 NE ARG A 60 20.933 12.418 -5.399 1.00 74.30 N ATOM 844 CZ ARG A 60 21.632 13.386 -5.985 1.00 4.55 C ATOM 845 NH1 ARG A 60 22.726 13.110 -6.685 1.00 65.22 N ATOM 846 NH2 ARG A 60 21.197 14.633 -5.862 1.00 54.22 N ATOM 0 H ARG A 60 18.927 6.075 -6.016 1.00 34.24 H new ATOM 0 HA ARG A 60 18.819 8.141 -3.921 1.00 61.51 H new ATOM 0 HB2 ARG A 60 21.028 8.373 -5.169 1.00 3.35 H new ATOM 0 HB3 ARG A 60 20.100 8.619 -6.635 1.00 3.35 H new ATOM 0 HG2 ARG A 60 19.034 10.618 -5.719 1.00 52.24 H new ATOM 0 HG3 ARG A 60 19.690 10.308 -4.124 1.00 52.24 H new ATOM 0 HD2 ARG A 60 21.984 10.660 -4.927 1.00 23.31 H new ATOM 0 HD3 ARG A 60 21.436 10.761 -6.589 1.00 23.31 H new ATOM 0 HE ARG A 60 20.173 12.704 -4.782 1.00 74.30 H new ATOM 0 HH11 ARG A 60 23.041 12.144 -6.779 1.00 65.22 H new ATOM 0 HH12 ARG A 60 23.251 13.863 -7.129 1.00 65.22 H new ATOM 0 HH21 ARG A 60 20.349 14.827 -5.330 1.00 54.22 H new ATOM 0 HH22 ARG A 60 21.711 15.398 -6.300 1.00 54.22 H new ATOM 860 N THR A 61 16.614 8.576 -4.915 1.00 41.13 N ATOM 861 CA THR A 61 15.276 8.847 -5.403 1.00 20.10 C ATOM 862 C THR A 61 14.778 10.174 -4.836 1.00 65.11 C ATOM 863 O THR A 61 14.800 10.385 -3.617 1.00 72.32 O ATOM 864 CB THR A 61 14.412 7.649 -4.964 1.00 22.21 C ATOM 865 OG1 THR A 61 15.026 6.471 -5.424 1.00 70.01 O ATOM 866 CG2 THR A 61 13.000 7.638 -5.537 1.00 55.21 C ATOM 0 H THR A 61 16.715 8.740 -3.913 1.00 41.13 H new ATOM 0 HA THR A 61 15.237 8.951 -6.487 1.00 20.10 H new ATOM 0 HB THR A 61 14.334 7.723 -3.879 1.00 22.21 H new ATOM 0 HG1 THR A 61 14.491 5.696 -5.153 1.00 70.01 H new ATOM 0 HG21 THR A 61 12.467 6.759 -5.174 1.00 55.21 H new ATOM 0 HG22 THR A 61 12.473 8.538 -5.222 1.00 55.21 H new ATOM 0 HG23 THR A 61 13.049 7.608 -6.625 1.00 55.21 H new ATOM 874 N SER A 62 14.407 11.114 -5.709 1.00 42.03 N ATOM 875 CA SER A 62 13.879 12.405 -5.274 1.00 22.31 C ATOM 876 C SER A 62 12.523 12.136 -4.593 1.00 70.14 C ATOM 877 O SER A 62 11.861 11.154 -4.945 1.00 35.12 O ATOM 878 CB SER A 62 13.778 13.342 -6.479 1.00 50.22 C ATOM 879 OG SER A 62 15.066 13.495 -7.053 1.00 1.24 O ATOM 0 H SER A 62 14.463 11.003 -6.721 1.00 42.03 H new ATOM 0 HA SER A 62 14.531 12.902 -4.556 1.00 22.31 H new ATOM 0 HB2 SER A 62 13.084 12.936 -7.215 1.00 50.22 H new ATOM 0 HB3 SER A 62 13.385 14.311 -6.171 1.00 50.22 H new ATOM 0 HG SER A 62 15.010 14.093 -7.827 1.00 1.24 H new ATOM 885 N PRO A 63 12.062 12.986 -3.662 1.00 63.04 N ATOM 886 CA PRO A 63 10.804 12.767 -2.952 1.00 64.02 C ATOM 887 C PRO A 63 9.583 12.741 -3.869 1.00 12.12 C ATOM 888 O PRO A 63 8.641 12.000 -3.586 1.00 1.21 O ATOM 889 CB PRO A 63 10.726 13.879 -1.902 1.00 73.03 C ATOM 890 CG PRO A 63 11.587 14.982 -2.508 1.00 13.22 C ATOM 891 CD PRO A 63 12.710 14.186 -3.164 1.00 22.23 C ATOM 0 HA PRO A 63 10.792 11.779 -2.491 1.00 64.02 H new ATOM 0 HB2 PRO A 63 9.700 14.210 -1.740 1.00 73.03 H new ATOM 0 HB3 PRO A 63 11.111 13.551 -0.937 1.00 73.03 H new ATOM 0 HG2 PRO A 63 11.034 15.579 -3.233 1.00 13.22 H new ATOM 0 HG3 PRO A 63 11.963 15.669 -1.750 1.00 13.22 H new ATOM 0 HD2 PRO A 63 13.176 14.750 -3.972 1.00 22.23 H new ATOM 0 HD3 PRO A 63 13.496 13.945 -2.448 1.00 22.23 H new ATOM 899 N ASN A 64 9.634 13.469 -4.991 1.00 50.11 N ATOM 900 CA ASN A 64 8.530 13.536 -5.941 1.00 71.53 C ATOM 901 C ASN A 64 8.259 12.142 -6.515 1.00 44.41 C ATOM 902 O ASN A 64 7.184 11.582 -6.335 1.00 41.41 O ATOM 903 CB ASN A 64 8.837 14.512 -7.092 1.00 41.51 C ATOM 904 CG ASN A 64 9.367 15.866 -6.648 1.00 11.44 C ATOM 905 OD1 ASN A 64 8.774 16.542 -5.817 1.00 62.34 O ATOM 906 ND2 ASN A 64 10.536 16.273 -7.121 1.00 53.24 N ATOM 0 H ASN A 64 10.444 14.026 -5.261 1.00 50.11 H new ATOM 0 HA ASN A 64 7.650 13.900 -5.410 1.00 71.53 H new ATOM 0 HB2 ASN A 64 9.567 14.051 -7.757 1.00 41.51 H new ATOM 0 HB3 ASN A 64 7.928 14.665 -7.674 1.00 41.51 H new ATOM 0 HD21 ASN A 64 10.942 17.149 -6.793 1.00 53.24 H new ATOM 0 HD22 ASN A 64 11.030 15.710 -7.813 1.00 53.24 H new ATOM 913 N LYS A 65 9.269 11.530 -7.152 1.00 24.25 N ATOM 914 CA LYS A 65 9.115 10.193 -7.724 1.00 33.41 C ATOM 915 C LYS A 65 8.912 9.157 -6.614 1.00 61.44 C ATOM 916 O LYS A 65 8.214 8.172 -6.832 1.00 24.53 O ATOM 917 CB LYS A 65 10.273 9.839 -8.674 1.00 42.31 C ATOM 918 CG LYS A 65 11.670 9.953 -8.040 1.00 13.52 C ATOM 919 CD LYS A 65 12.774 9.246 -8.835 1.00 52.11 C ATOM 920 CE LYS A 65 13.084 9.906 -10.180 1.00 61.53 C ATOM 921 NZ LYS A 65 14.187 9.206 -10.874 1.00 21.51 N ATOM 0 H LYS A 65 10.194 11.940 -7.281 1.00 24.25 H new ATOM 0 HA LYS A 65 8.217 10.183 -8.341 1.00 33.41 H new ATOM 0 HB2 LYS A 65 10.133 8.820 -9.035 1.00 42.31 H new ATOM 0 HB3 LYS A 65 10.227 10.494 -9.544 1.00 42.31 H new ATOM 0 HG2 LYS A 65 11.927 11.007 -7.939 1.00 13.52 H new ATOM 0 HG3 LYS A 65 11.636 9.535 -7.034 1.00 13.52 H new ATOM 0 HD2 LYS A 65 13.683 9.222 -8.234 1.00 52.11 H new ATOM 0 HD3 LYS A 65 12.479 8.211 -9.008 1.00 52.11 H new ATOM 0 HE2 LYS A 65 12.192 9.898 -10.807 1.00 61.53 H new ATOM 0 HE3 LYS A 65 13.354 10.950 -10.023 1.00 61.53 H new ATOM 0 HZ1 LYS A 65 14.377 9.674 -11.783 1.00 21.51 H new ATOM 0 HZ2 LYS A 65 15.043 9.236 -10.284 1.00 21.51 H new ATOM 0 HZ3 LYS A 65 13.918 8.216 -11.044 1.00 21.51 H new ATOM 935 N LEU A 66 9.485 9.369 -5.421 1.00 53.12 N ATOM 936 CA LEU A 66 9.322 8.441 -4.306 1.00 52.02 C ATOM 937 C LEU A 66 7.834 8.378 -3.935 1.00 1.43 C ATOM 938 O LEU A 66 7.326 7.295 -3.654 1.00 75.41 O ATOM 939 CB LEU A 66 10.190 8.879 -3.110 1.00 53.31 C ATOM 940 CG LEU A 66 10.367 7.806 -2.019 1.00 34.45 C ATOM 941 CD1 LEU A 66 11.276 6.659 -2.485 1.00 12.12 C ATOM 942 CD2 LEU A 66 11.021 8.437 -0.784 1.00 72.22 C ATOM 0 H LEU A 66 10.066 10.180 -5.208 1.00 53.12 H new ATOM 0 HA LEU A 66 9.656 7.444 -4.594 1.00 52.02 H new ATOM 0 HB2 LEU A 66 11.174 9.169 -3.479 1.00 53.31 H new ATOM 0 HB3 LEU A 66 9.744 9.766 -2.660 1.00 53.31 H new ATOM 0 HG LEU A 66 9.377 7.410 -1.793 1.00 34.45 H new ATOM 0 HD11 LEU A 66 11.374 5.925 -1.686 1.00 12.12 H new ATOM 0 HD12 LEU A 66 10.840 6.183 -3.363 1.00 12.12 H new ATOM 0 HD13 LEU A 66 12.260 7.054 -2.737 1.00 12.12 H new ATOM 0 HD21 LEU A 66 11.147 7.679 -0.011 1.00 72.22 H new ATOM 0 HD22 LEU A 66 11.995 8.843 -1.056 1.00 72.22 H new ATOM 0 HD23 LEU A 66 10.386 9.239 -0.406 1.00 72.22 H new ATOM 954 N GLN A 67 7.134 9.521 -3.954 1.00 32.14 N ATOM 955 CA GLN A 67 5.713 9.629 -3.639 1.00 34.01 C ATOM 956 C GLN A 67 4.850 8.984 -4.725 1.00 4.41 C ATOM 957 O GLN A 67 3.799 8.424 -4.414 1.00 21.45 O ATOM 958 CB GLN A 67 5.329 11.106 -3.482 1.00 21.03 C ATOM 959 CG GLN A 67 3.885 11.267 -2.985 1.00 32.33 C ATOM 960 CD GLN A 67 3.546 12.725 -2.733 1.00 13.11 C ATOM 961 OE1 GLN A 67 2.726 13.311 -3.432 1.00 54.22 O ATOM 962 NE2 GLN A 67 4.143 13.329 -1.717 1.00 73.13 N ATOM 0 H GLN A 67 7.557 10.417 -4.196 1.00 32.14 H new ATOM 0 HA GLN A 67 5.532 9.099 -2.704 1.00 34.01 H new ATOM 0 HB2 GLN A 67 6.011 11.587 -2.781 1.00 21.03 H new ATOM 0 HB3 GLN A 67 5.444 11.616 -4.439 1.00 21.03 H new ATOM 0 HG2 GLN A 67 3.197 10.854 -3.722 1.00 32.33 H new ATOM 0 HG3 GLN A 67 3.749 10.696 -2.067 1.00 32.33 H new ATOM 0 HE21 GLN A 67 4.822 12.821 -1.149 1.00 73.13 H new ATOM 0 HE22 GLN A 67 3.924 14.302 -1.502 1.00 73.13 H new ATOM 971 N ALA A 68 5.283 9.029 -5.989 1.00 45.41 N ATOM 972 CA ALA A 68 4.527 8.443 -7.087 1.00 24.51 C ATOM 973 C ALA A 68 4.271 6.948 -6.845 1.00 64.31 C ATOM 974 O ALA A 68 3.229 6.438 -7.246 1.00 20.23 O ATOM 975 CB ALA A 68 5.247 8.680 -8.413 1.00 62.05 C ATOM 0 H ALA A 68 6.159 9.469 -6.272 1.00 45.41 H new ATOM 0 HA ALA A 68 3.555 8.934 -7.138 1.00 24.51 H new ATOM 0 HB1 ALA A 68 4.670 8.236 -9.225 1.00 62.05 H new ATOM 0 HB2 ALA A 68 5.350 9.751 -8.585 1.00 62.05 H new ATOM 0 HB3 ALA A 68 6.235 8.221 -8.377 1.00 62.05 H new ATOM 981 N LEU A 69 5.193 6.249 -6.171 1.00 11.11 N ATOM 982 CA LEU A 69 5.067 4.825 -5.855 1.00 43.12 C ATOM 983 C LEU A 69 3.877 4.594 -4.917 1.00 2.33 C ATOM 984 O LEU A 69 3.132 3.631 -5.079 1.00 70.23 O ATOM 985 CB LEU A 69 6.355 4.316 -5.184 1.00 45.24 C ATOM 986 CG LEU A 69 7.619 4.421 -6.062 1.00 31.21 C ATOM 987 CD1 LEU A 69 8.863 4.281 -5.182 1.00 14.44 C ATOM 988 CD2 LEU A 69 7.636 3.351 -7.159 1.00 25.42 C ATOM 0 H LEU A 69 6.058 6.665 -5.826 1.00 11.11 H new ATOM 0 HA LEU A 69 4.903 4.277 -6.783 1.00 43.12 H new ATOM 0 HB2 LEU A 69 6.518 4.880 -4.266 1.00 45.24 H new ATOM 0 HB3 LEU A 69 6.213 3.274 -4.897 1.00 45.24 H new ATOM 0 HG LEU A 69 7.614 5.396 -6.549 1.00 31.21 H new ATOM 0 HD11 LEU A 69 9.757 4.355 -5.801 1.00 14.44 H new ATOM 0 HD12 LEU A 69 8.872 5.075 -4.436 1.00 14.44 H new ATOM 0 HD13 LEU A 69 8.848 3.313 -4.681 1.00 14.44 H new ATOM 0 HD21 LEU A 69 8.541 3.457 -7.757 1.00 25.42 H new ATOM 0 HD22 LEU A 69 7.616 2.361 -6.702 1.00 25.42 H new ATOM 0 HD23 LEU A 69 6.762 3.472 -7.799 1.00 25.42 H new ATOM 1000 N ASN A 70 3.710 5.475 -3.927 1.00 74.31 N ATOM 1001 CA ASN A 70 2.633 5.420 -2.946 1.00 55.14 C ATOM 1002 C ASN A 70 1.288 5.603 -3.643 1.00 4.41 C ATOM 1003 O ASN A 70 0.433 4.717 -3.567 1.00 41.44 O ATOM 1004 CB ASN A 70 2.894 6.456 -1.838 1.00 60.12 C ATOM 1005 CG ASN A 70 1.680 6.810 -0.997 1.00 3.35 C ATOM 1006 OD1 ASN A 70 0.739 6.043 -0.878 1.00 4.35 O ATOM 1007 ND2 ASN A 70 1.685 7.988 -0.400 1.00 1.32 N ATOM 0 H ASN A 70 4.339 6.265 -3.786 1.00 74.31 H new ATOM 0 HA ASN A 70 2.601 4.443 -2.464 1.00 55.14 H new ATOM 0 HB2 ASN A 70 3.675 6.075 -1.180 1.00 60.12 H new ATOM 0 HB3 ASN A 70 3.279 7.367 -2.296 1.00 60.12 H new ATOM 0 HD21 ASN A 70 0.891 8.272 0.174 1.00 1.32 H new ATOM 0 HD22 ASN A 70 2.483 8.614 -0.513 1.00 1.32 H new ATOM 1014 N MET A 71 1.102 6.725 -4.342 1.00 0.40 N ATOM 1015 CA MET A 71 -0.148 6.994 -5.053 1.00 31.42 C ATOM 1016 C MET A 71 -0.460 5.856 -6.040 1.00 71.51 C ATOM 1017 O MET A 71 -1.613 5.430 -6.142 1.00 12.04 O ATOM 1018 CB MET A 71 -0.120 8.400 -5.676 1.00 3.05 C ATOM 1019 CG MET A 71 0.969 8.582 -6.708 1.00 64.24 C ATOM 1020 SD MET A 71 0.955 10.172 -7.577 1.00 35.45 S ATOM 1021 CE MET A 71 1.448 11.279 -6.232 1.00 20.43 C ATOM 0 H MET A 71 1.802 7.462 -4.430 1.00 0.40 H new ATOM 0 HA MET A 71 -0.984 7.006 -4.353 1.00 31.42 H new ATOM 0 HB2 MET A 71 -1.086 8.603 -6.139 1.00 3.05 H new ATOM 0 HB3 MET A 71 0.014 9.137 -4.884 1.00 3.05 H new ATOM 0 HG2 MET A 71 1.935 8.463 -6.217 1.00 64.24 H new ATOM 0 HG3 MET A 71 0.886 7.783 -7.445 1.00 64.24 H new ATOM 0 HE1 MET A 71 1.557 12.293 -6.617 1.00 20.43 H new ATOM 0 HE2 MET A 71 0.686 11.267 -5.453 1.00 20.43 H new ATOM 0 HE3 MET A 71 2.398 10.945 -5.815 1.00 20.43 H new ATOM 1031 N ALA A 72 0.567 5.299 -6.696 1.00 35.30 N ATOM 1032 CA ALA A 72 0.404 4.206 -7.637 1.00 42.20 C ATOM 1033 C ALA A 72 -0.167 2.965 -6.949 1.00 52.10 C ATOM 1034 O ALA A 72 -1.066 2.331 -7.507 1.00 55.42 O ATOM 1035 CB ALA A 72 1.739 3.889 -8.312 1.00 63.02 C ATOM 0 H ALA A 72 1.534 5.602 -6.582 1.00 35.30 H new ATOM 0 HA ALA A 72 -0.309 4.515 -8.402 1.00 42.20 H new ATOM 0 HB1 ALA A 72 1.605 3.068 -9.016 1.00 63.02 H new ATOM 0 HB2 ALA A 72 2.095 4.770 -8.846 1.00 63.02 H new ATOM 0 HB3 ALA A 72 2.470 3.603 -7.556 1.00 63.02 H new ATOM 1041 N PHE A 73 0.327 2.612 -5.757 1.00 22.12 N ATOM 1042 CA PHE A 73 -0.159 1.451 -5.017 1.00 73.13 C ATOM 1043 C PHE A 73 -1.653 1.597 -4.728 1.00 30.43 C ATOM 1044 O PHE A 73 -2.436 0.684 -4.998 1.00 32.43 O ATOM 1045 CB PHE A 73 0.601 1.284 -3.693 1.00 51.14 C ATOM 1046 CG PHE A 73 0.162 0.052 -2.931 1.00 51.33 C ATOM 1047 CD1 PHE A 73 -0.645 0.171 -1.783 1.00 2.34 C ATOM 1048 CD2 PHE A 73 0.503 -1.223 -3.418 1.00 2.53 C ATOM 1049 CE1 PHE A 73 -1.093 -0.984 -1.120 1.00 75.20 C ATOM 1050 CE2 PHE A 73 0.057 -2.372 -2.750 1.00 65.54 C ATOM 1051 CZ PHE A 73 -0.738 -2.257 -1.600 1.00 44.25 C ATOM 0 H PHE A 73 1.072 3.123 -5.283 1.00 22.12 H new ATOM 0 HA PHE A 73 0.010 0.567 -5.632 1.00 73.13 H new ATOM 0 HB2 PHE A 73 1.670 1.222 -3.896 1.00 51.14 H new ATOM 0 HB3 PHE A 73 0.445 2.167 -3.073 1.00 51.14 H new ATOM 0 HD1 PHE A 73 -0.919 1.148 -1.413 1.00 2.34 H new ATOM 0 HD2 PHE A 73 1.109 -1.317 -4.307 1.00 2.53 H new ATOM 0 HE1 PHE A 73 -1.712 -0.894 -0.239 1.00 75.20 H new ATOM 0 HE2 PHE A 73 0.326 -3.349 -3.122 1.00 65.54 H new ATOM 0 HZ PHE A 73 -1.076 -3.144 -1.085 1.00 44.25 H new ATOM 1061 N ALA A 74 -2.049 2.765 -4.210 1.00 1.30 N ATOM 1062 CA ALA A 74 -3.431 3.057 -3.868 1.00 14.44 C ATOM 1063 C ALA A 74 -4.370 2.889 -5.070 1.00 13.42 C ATOM 1064 O ALA A 74 -5.552 2.598 -4.869 1.00 55.21 O ATOM 1065 CB ALA A 74 -3.540 4.466 -3.284 1.00 33.23 C ATOM 0 H ALA A 74 -1.408 3.535 -4.018 1.00 1.30 H new ATOM 0 HA ALA A 74 -3.747 2.335 -3.115 1.00 14.44 H new ATOM 0 HB1 ALA A 74 -4.579 4.676 -3.031 1.00 33.23 H new ATOM 0 HB2 ALA A 74 -2.927 4.536 -2.386 1.00 33.23 H new ATOM 0 HB3 ALA A 74 -3.192 5.192 -4.019 1.00 33.23 H new ATOM 1071 N SER A 75 -3.875 3.059 -6.303 1.00 1.31 N ATOM 1072 CA SER A 75 -4.659 2.916 -7.524 1.00 1.33 C ATOM 1073 C SER A 75 -5.333 1.537 -7.542 1.00 2.12 C ATOM 1074 O SER A 75 -6.562 1.465 -7.570 1.00 32.20 O ATOM 1075 CB SER A 75 -3.773 3.194 -8.747 1.00 64.44 C ATOM 1076 OG SER A 75 -4.570 3.500 -9.868 1.00 12.31 O ATOM 0 H SER A 75 -2.900 3.304 -6.477 1.00 1.31 H new ATOM 0 HA SER A 75 -5.462 3.652 -7.559 1.00 1.33 H new ATOM 0 HB2 SER A 75 -3.098 4.023 -8.535 1.00 64.44 H new ATOM 0 HB3 SER A 75 -3.152 2.324 -8.960 1.00 64.44 H new ATOM 0 HG SER A 75 -5.248 4.162 -9.617 1.00 12.31 H new ATOM 1082 N SER A 76 -4.549 0.457 -7.424 1.00 54.21 N ATOM 1083 CA SER A 76 -5.038 -0.921 -7.428 1.00 0.05 C ATOM 1084 C SER A 76 -6.064 -1.133 -6.313 1.00 33.50 C ATOM 1085 O SER A 76 -7.073 -1.820 -6.495 1.00 52.35 O ATOM 1086 CB SER A 76 -3.840 -1.868 -7.255 1.00 0.00 C ATOM 1087 OG SER A 76 -4.228 -3.226 -7.246 1.00 45.03 O ATOM 0 H SER A 76 -3.536 0.522 -7.321 1.00 54.21 H new ATOM 0 HA SER A 76 -5.535 -1.132 -8.375 1.00 0.05 H new ATOM 0 HB2 SER A 76 -3.128 -1.701 -8.063 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.325 -1.633 -6.323 1.00 0.00 H new ATOM 0 HG SER A 76 -3.436 -3.792 -7.135 1.00 45.03 H new ATOM 1093 N LEU A 77 -5.823 -0.525 -5.149 1.00 43.33 N ATOM 1094 CA LEU A 77 -6.716 -0.653 -4.014 1.00 13.30 C ATOM 1095 C LEU A 77 -8.109 -0.121 -4.356 1.00 73.31 C ATOM 1096 O LEU A 77 -9.083 -0.773 -3.992 1.00 52.33 O ATOM 1097 CB LEU A 77 -6.117 0.020 -2.768 1.00 42.42 C ATOM 1098 CG LEU A 77 -5.242 -0.898 -1.896 1.00 2.02 C ATOM 1099 CD1 LEU A 77 -4.160 -1.670 -2.652 1.00 22.41 C ATOM 1100 CD2 LEU A 77 -4.549 -0.057 -0.820 1.00 1.11 C ATOM 0 H LEU A 77 -5.008 0.063 -4.976 1.00 43.33 H new ATOM 0 HA LEU A 77 -6.831 -1.711 -3.777 1.00 13.30 H new ATOM 0 HB2 LEU A 77 -5.519 0.874 -3.086 1.00 42.42 H new ATOM 0 HB3 LEU A 77 -6.931 0.411 -2.157 1.00 42.42 H new ATOM 0 HG LEU A 77 -5.926 -1.639 -1.482 1.00 2.02 H new ATOM 0 HD11 LEU A 77 -3.597 -2.288 -1.952 1.00 22.41 H new ATOM 0 HD12 LEU A 77 -4.626 -2.306 -3.404 1.00 22.41 H new ATOM 0 HD13 LEU A 77 -3.485 -0.967 -3.139 1.00 22.41 H new ATOM 0 HD21 LEU A 77 -3.927 -0.702 -0.199 1.00 1.11 H new ATOM 0 HD22 LEU A 77 -3.925 0.700 -1.295 1.00 1.11 H new ATOM 0 HD23 LEU A 77 -5.301 0.430 -0.199 1.00 1.11 H new ATOM 1112 N ALA A 78 -8.229 1.046 -5.001 1.00 15.52 N ATOM 1113 CA ALA A 78 -9.532 1.617 -5.366 1.00 25.44 C ATOM 1114 C ALA A 78 -10.152 0.864 -6.545 1.00 4.23 C ATOM 1115 O ALA A 78 -11.351 0.584 -6.532 1.00 41.32 O ATOM 1116 CB ALA A 78 -9.395 3.105 -5.708 1.00 20.33 C ATOM 0 H ALA A 78 -7.433 1.617 -5.283 1.00 15.52 H new ATOM 0 HA ALA A 78 -10.192 1.513 -4.505 1.00 25.44 H new ATOM 0 HB1 ALA A 78 -10.372 3.508 -5.976 1.00 20.33 H new ATOM 0 HB2 ALA A 78 -9.005 3.643 -4.844 1.00 20.33 H new ATOM 0 HB3 ALA A 78 -8.711 3.224 -6.548 1.00 20.33 H new ATOM 1122 N GLU A 79 -9.325 0.499 -7.521 1.00 24.53 N ATOM 1123 CA GLU A 79 -9.693 -0.213 -8.736 1.00 73.12 C ATOM 1124 C GLU A 79 -10.411 -1.518 -8.368 1.00 42.11 C ATOM 1125 O GLU A 79 -11.555 -1.734 -8.774 1.00 15.33 O ATOM 1126 CB GLU A 79 -8.361 -0.427 -9.472 1.00 21.34 C ATOM 1127 CG GLU A 79 -8.367 -1.196 -10.791 1.00 63.24 C ATOM 1128 CD GLU A 79 -6.924 -1.477 -11.249 1.00 52.10 C ATOM 1129 OE1 GLU A 79 -6.011 -0.650 -10.981 1.00 14.03 O ATOM 1130 OE2 GLU A 79 -6.707 -2.545 -11.862 1.00 20.22 O ATOM 0 H GLU A 79 -8.327 0.704 -7.481 1.00 24.53 H new ATOM 0 HA GLU A 79 -10.393 0.325 -9.376 1.00 73.12 H new ATOM 0 HB2 GLU A 79 -7.928 0.555 -9.664 1.00 21.34 H new ATOM 0 HB3 GLU A 79 -7.686 -0.945 -8.790 1.00 21.34 H new ATOM 0 HG2 GLU A 79 -8.907 -2.135 -10.671 1.00 63.24 H new ATOM 0 HG3 GLU A 79 -8.893 -0.621 -11.553 1.00 63.24 H new ATOM 1137 N ILE A 80 -9.787 -2.367 -7.546 1.00 23.01 N ATOM 1138 CA ILE A 80 -10.385 -3.626 -7.107 1.00 4.23 C ATOM 1139 C ILE A 80 -11.460 -3.351 -6.038 1.00 22.12 C ATOM 1140 O ILE A 80 -12.389 -4.145 -5.894 1.00 24.23 O ATOM 1141 CB ILE A 80 -9.287 -4.612 -6.648 1.00 54.03 C ATOM 1142 CG1 ILE A 80 -8.195 -4.864 -7.717 1.00 41.34 C ATOM 1143 CG2 ILE A 80 -9.863 -5.973 -6.197 1.00 50.33 C ATOM 1144 CD1 ILE A 80 -8.673 -5.558 -8.999 1.00 51.45 C ATOM 0 H ILE A 80 -8.855 -2.199 -7.168 1.00 23.01 H new ATOM 0 HA ILE A 80 -10.894 -4.111 -7.940 1.00 4.23 H new ATOM 0 HB ILE A 80 -8.824 -4.115 -5.796 1.00 54.03 H new ATOM 0 HG12 ILE A 80 -7.748 -3.907 -7.988 1.00 41.34 H new ATOM 0 HG13 ILE A 80 -7.406 -5.469 -7.270 1.00 41.34 H new ATOM 0 HG21 ILE A 80 -9.049 -6.627 -5.885 1.00 50.33 H new ATOM 0 HG22 ILE A 80 -10.546 -5.820 -5.362 1.00 50.33 H new ATOM 0 HG23 ILE A 80 -10.401 -6.433 -7.026 1.00 50.33 H new ATOM 0 HD11 ILE A 80 -7.831 -5.686 -9.679 1.00 51.45 H new ATOM 0 HD12 ILE A 80 -9.090 -6.534 -8.751 1.00 51.45 H new ATOM 0 HD13 ILE A 80 -9.438 -4.948 -9.479 1.00 51.45 H new ATOM 1156 N ALA A 81 -11.383 -2.243 -5.276 1.00 34.34 N ATOM 1157 CA ALA A 81 -12.396 -1.942 -4.259 1.00 31.22 C ATOM 1158 C ALA A 81 -13.773 -1.805 -4.880 1.00 75.11 C ATOM 1159 O ALA A 81 -14.736 -2.221 -4.235 1.00 32.23 O ATOM 1160 CB ALA A 81 -12.085 -0.696 -3.421 1.00 14.53 C ATOM 0 H ALA A 81 -10.637 -1.551 -5.347 1.00 34.34 H new ATOM 0 HA ALA A 81 -12.378 -2.794 -3.579 1.00 31.22 H new ATOM 0 HB1 ALA A 81 -12.880 -0.540 -2.692 1.00 14.53 H new ATOM 0 HB2 ALA A 81 -11.137 -0.835 -2.900 1.00 14.53 H new ATOM 0 HB3 ALA A 81 -12.016 0.174 -4.074 1.00 14.53 H new ATOM 1166 N ALA A 82 -13.861 -1.243 -6.085 1.00 41.44 N ATOM 1167 CA ALA A 82 -15.121 -1.064 -6.783 1.00 23.11 C ATOM 1168 C ALA A 82 -15.630 -2.340 -7.450 1.00 55.44 C ATOM 1169 O ALA A 82 -16.746 -2.312 -7.968 1.00 13.31 O ATOM 1170 CB ALA A 82 -14.968 0.051 -7.810 1.00 3.13 C ATOM 0 H ALA A 82 -13.052 -0.899 -6.602 1.00 41.44 H new ATOM 0 HA ALA A 82 -15.871 -0.796 -6.039 1.00 23.11 H new ATOM 0 HB1 ALA A 82 -15.911 0.191 -8.338 1.00 3.13 H new ATOM 0 HB2 ALA A 82 -14.695 0.977 -7.304 1.00 3.13 H new ATOM 0 HB3 ALA A 82 -14.189 -0.216 -8.524 1.00 3.13 H new ATOM 1176 N SER A 83 -14.852 -3.426 -7.485 1.00 12.22 N ATOM 1177 CA SER A 83 -15.301 -4.667 -8.098 1.00 40.31 C ATOM 1178 C SER A 83 -16.520 -5.177 -7.322 1.00 25.25 C ATOM 1179 O SER A 83 -16.741 -4.798 -6.165 1.00 71.44 O ATOM 1180 CB SER A 83 -14.156 -5.686 -8.130 1.00 31.25 C ATOM 1181 OG SER A 83 -14.360 -6.571 -9.208 1.00 3.51 O ATOM 0 H SER A 83 -13.910 -3.465 -7.095 1.00 12.22 H new ATOM 0 HA SER A 83 -15.598 -4.502 -9.134 1.00 40.31 H new ATOM 0 HB2 SER A 83 -13.200 -5.175 -8.238 1.00 31.25 H new ATOM 0 HB3 SER A 83 -14.117 -6.239 -7.191 1.00 31.25 H new ATOM 0 HG SER A 83 -13.631 -7.225 -9.237 1.00 3.51 H new ATOM 1187 N GLU A 84 -17.359 -5.991 -7.956 1.00 64.43 N ATOM 1188 CA GLU A 84 -18.545 -6.523 -7.298 1.00 74.32 C ATOM 1189 C GLU A 84 -18.144 -7.583 -6.273 1.00 61.51 C ATOM 1190 O GLU A 84 -18.850 -7.770 -5.278 1.00 65.21 O ATOM 1191 CB GLU A 84 -19.543 -7.090 -8.318 1.00 43.24 C ATOM 1192 CG GLU A 84 -19.966 -6.016 -9.330 1.00 54.43 C ATOM 1193 CD GLU A 84 -21.194 -6.370 -10.162 1.00 54.21 C ATOM 1194 OE1 GLU A 84 -21.708 -7.507 -10.088 1.00 35.35 O ATOM 1195 OE2 GLU A 84 -21.704 -5.456 -10.858 1.00 64.41 O ATOM 0 H GLU A 84 -17.239 -6.295 -8.922 1.00 64.43 H new ATOM 0 HA GLU A 84 -19.044 -5.706 -6.777 1.00 74.32 H new ATOM 0 HB2 GLU A 84 -19.093 -7.932 -8.843 1.00 43.24 H new ATOM 0 HB3 GLU A 84 -20.422 -7.472 -7.799 1.00 43.24 H new ATOM 0 HG2 GLU A 84 -20.163 -5.088 -8.793 1.00 54.43 H new ATOM 0 HG3 GLU A 84 -19.131 -5.823 -10.004 1.00 54.43 H new ATOM 1202 N GLU A 85 -17.021 -8.267 -6.494 1.00 30.22 N ATOM 1203 CA GLU A 85 -16.514 -9.298 -5.608 1.00 23.43 C ATOM 1204 C GLU A 85 -15.884 -8.680 -4.345 1.00 44.20 C ATOM 1205 O GLU A 85 -15.396 -7.543 -4.358 1.00 12.10 O ATOM 1206 CB GLU A 85 -15.569 -10.223 -6.399 1.00 24.50 C ATOM 1207 CG GLU A 85 -15.535 -11.594 -5.723 1.00 62.34 C ATOM 1208 CD GLU A 85 -15.170 -12.759 -6.635 1.00 43.32 C ATOM 1209 OE1 GLU A 85 -16.013 -13.178 -7.461 1.00 22.24 O ATOM 1210 OE2 GLU A 85 -14.125 -13.395 -6.370 1.00 4.50 O ATOM 0 H GLU A 85 -16.432 -8.112 -7.312 1.00 30.22 H new ATOM 0 HA GLU A 85 -17.330 -9.919 -5.239 1.00 23.43 H new ATOM 0 HB2 GLU A 85 -15.912 -10.319 -7.429 1.00 24.50 H new ATOM 0 HB3 GLU A 85 -14.567 -9.796 -6.435 1.00 24.50 H new ATOM 0 HG2 GLU A 85 -14.819 -11.559 -4.902 1.00 62.34 H new ATOM 0 HG3 GLU A 85 -16.514 -11.789 -5.285 1.00 62.34 H new ATOM 1217 N GLY A 86 -15.865 -9.437 -3.246 1.00 63.45 N ATOM 1218 CA GLY A 86 -15.335 -9.014 -1.959 1.00 24.10 C ATOM 1219 C GLY A 86 -16.304 -9.429 -0.855 1.00 41.55 C ATOM 1220 O GLY A 86 -17.080 -10.368 -1.026 1.00 3.54 O ATOM 0 H GLY A 86 -16.230 -10.389 -3.232 1.00 63.45 H new ATOM 0 HA2 GLY A 86 -14.357 -9.465 -1.789 1.00 24.10 H new ATOM 0 HA3 GLY A 86 -15.194 -7.933 -1.948 1.00 24.10 H new ATOM 1224 N GLY A 87 -16.276 -8.730 0.282 1.00 24.01 N ATOM 1225 CA GLY A 87 -17.150 -9.035 1.412 1.00 32.31 C ATOM 1226 C GLY A 87 -18.599 -8.550 1.252 1.00 43.53 C ATOM 1227 O GLY A 87 -19.419 -8.798 2.143 1.00 42.51 O ATOM 0 H GLY A 87 -15.650 -7.941 0.443 1.00 24.01 H new ATOM 0 HA2 GLY A 87 -17.157 -10.114 1.567 1.00 32.31 H new ATOM 0 HA3 GLY A 87 -16.728 -8.586 2.311 1.00 32.31 H new ATOM 1231 N GLY A 88 -18.928 -7.821 0.183 1.00 50.13 N ATOM 1232 CA GLY A 88 -20.262 -7.306 -0.101 1.00 1.14 C ATOM 1233 C GLY A 88 -20.320 -5.804 -0.377 1.00 64.12 C ATOM 1234 O GLY A 88 -21.309 -5.365 -0.965 1.00 5.03 O ATOM 0 H GLY A 88 -18.246 -7.566 -0.531 1.00 50.13 H new ATOM 0 HA2 GLY A 88 -20.666 -7.836 -0.964 1.00 1.14 H new ATOM 0 HA3 GLY A 88 -20.912 -7.532 0.745 1.00 1.14 H new ATOM 1238 N SER A 89 -19.298 -5.009 -0.032 1.00 61.11 N ATOM 1239 CA SER A 89 -19.348 -3.567 -0.254 1.00 65.12 C ATOM 1240 C SER A 89 -18.014 -2.937 -0.642 1.00 11.11 C ATOM 1241 O SER A 89 -16.933 -3.361 -0.205 1.00 75.42 O ATOM 1242 CB SER A 89 -19.833 -2.929 1.052 1.00 22.24 C ATOM 1243 OG SER A 89 -20.566 -1.742 0.865 1.00 62.23 O ATOM 0 H SER A 89 -18.435 -5.342 0.398 1.00 61.11 H new ATOM 0 HA SER A 89 -20.014 -3.389 -1.098 1.00 65.12 H new ATOM 0 HB2 SER A 89 -20.453 -3.647 1.588 1.00 22.24 H new ATOM 0 HB3 SER A 89 -18.971 -2.717 1.684 1.00 22.24 H new ATOM 0 HG SER A 89 -20.846 -1.390 1.736 1.00 62.23 H new ATOM 1249 N LEU A 90 -18.107 -1.868 -1.434 1.00 11.12 N ATOM 1250 CA LEU A 90 -16.965 -1.092 -1.897 1.00 25.33 C ATOM 1251 C LEU A 90 -16.392 -0.327 -0.702 1.00 71.43 C ATOM 1252 O LEU A 90 -15.202 -0.432 -0.417 1.00 54.30 O ATOM 1253 CB LEU A 90 -17.431 -0.159 -3.030 1.00 43.24 C ATOM 1254 CG LEU A 90 -16.376 0.744 -3.707 1.00 75.11 C ATOM 1255 CD1 LEU A 90 -17.017 1.511 -4.869 1.00 2.21 C ATOM 1256 CD2 LEU A 90 -15.739 1.773 -2.780 1.00 50.34 C ATOM 0 H LEU A 90 -19.000 -1.513 -1.777 1.00 11.12 H new ATOM 0 HA LEU A 90 -16.176 -1.727 -2.299 1.00 25.33 H new ATOM 0 HB2 LEU A 90 -17.888 -0.776 -3.804 1.00 43.24 H new ATOM 0 HB3 LEU A 90 -18.215 0.485 -2.631 1.00 43.24 H new ATOM 0 HG LEU A 90 -15.591 0.065 -4.038 1.00 75.11 H new ATOM 0 HD11 LEU A 90 -16.268 2.146 -5.343 1.00 2.21 H new ATOM 0 HD12 LEU A 90 -17.408 0.804 -5.600 1.00 2.21 H new ATOM 0 HD13 LEU A 90 -17.831 2.130 -4.491 1.00 2.21 H new ATOM 0 HD21 LEU A 90 -15.011 2.363 -3.337 1.00 50.34 H new ATOM 0 HD22 LEU A 90 -16.511 2.431 -2.381 1.00 50.34 H new ATOM 0 HD23 LEU A 90 -15.238 1.262 -1.958 1.00 50.34 H new ATOM 1268 N SER A 91 -17.238 0.369 0.065 1.00 32.21 N ATOM 1269 CA SER A 91 -16.810 1.156 1.220 1.00 31.30 C ATOM 1270 C SER A 91 -16.235 0.289 2.345 1.00 20.32 C ATOM 1271 O SER A 91 -15.442 0.767 3.154 1.00 24.43 O ATOM 1272 CB SER A 91 -17.945 2.074 1.696 1.00 74.23 C ATOM 1273 OG SER A 91 -19.224 1.669 1.222 1.00 64.00 O ATOM 0 H SER A 91 -18.244 0.400 -0.101 1.00 32.21 H new ATOM 0 HA SER A 91 -15.985 1.792 0.901 1.00 31.30 H new ATOM 0 HB2 SER A 91 -17.957 2.093 2.786 1.00 74.23 H new ATOM 0 HB3 SER A 91 -17.746 3.092 1.362 1.00 74.23 H new ATOM 0 HG SER A 91 -19.907 2.287 1.556 1.00 64.00 H new ATOM 1279 N THR A 92 -16.606 -0.988 2.433 1.00 54.15 N ATOM 1280 CA THR A 92 -16.057 -1.863 3.462 1.00 63.44 C ATOM 1281 C THR A 92 -14.602 -2.203 3.108 1.00 54.51 C ATOM 1282 O THR A 92 -13.770 -2.378 4.000 1.00 74.00 O ATOM 1283 CB THR A 92 -16.934 -3.113 3.581 1.00 4.12 C ATOM 1284 OG1 THR A 92 -18.224 -2.737 4.020 1.00 53.21 O ATOM 1285 CG2 THR A 92 -16.382 -4.125 4.583 1.00 53.41 C ATOM 0 H THR A 92 -17.278 -1.434 1.809 1.00 54.15 H new ATOM 0 HA THR A 92 -16.055 -1.368 4.433 1.00 63.44 H new ATOM 0 HB THR A 92 -16.958 -3.578 2.596 1.00 4.12 H new ATOM 0 HG1 THR A 92 -18.789 -3.534 4.096 1.00 53.21 H new ATOM 0 HG21 THR A 92 -17.043 -4.991 4.627 1.00 53.41 H new ATOM 0 HG22 THR A 92 -15.388 -4.443 4.269 1.00 53.41 H new ATOM 0 HG23 THR A 92 -16.321 -3.665 5.569 1.00 53.41 H new ATOM 1293 N LYS A 93 -14.275 -2.257 1.809 1.00 24.41 N ATOM 1294 CA LYS A 93 -12.949 -2.584 1.304 1.00 2.44 C ATOM 1295 C LYS A 93 -11.855 -1.759 1.986 1.00 64.14 C ATOM 1296 O LYS A 93 -10.899 -2.351 2.499 1.00 54.50 O ATOM 1297 CB LYS A 93 -12.915 -2.444 -0.233 1.00 63.51 C ATOM 1298 CG LYS A 93 -12.020 -3.510 -0.878 1.00 31.11 C ATOM 1299 CD LYS A 93 -12.739 -4.848 -1.180 1.00 21.21 C ATOM 1300 CE LYS A 93 -13.629 -5.016 -2.438 1.00 34.11 C ATOM 1301 NZ LYS A 93 -14.943 -4.329 -2.397 1.00 43.34 N ATOM 0 H LYS A 93 -14.949 -2.068 1.067 1.00 24.41 H new ATOM 0 HA LYS A 93 -12.737 -3.624 1.551 1.00 2.44 H new ATOM 0 HB2 LYS A 93 -13.927 -2.530 -0.629 1.00 63.51 H new ATOM 0 HB3 LYS A 93 -12.551 -1.452 -0.501 1.00 63.51 H new ATOM 0 HG2 LYS A 93 -11.613 -3.112 -1.807 1.00 31.11 H new ATOM 0 HG3 LYS A 93 -11.175 -3.706 -0.218 1.00 31.11 H new ATOM 0 HD2 LYS A 93 -11.970 -5.618 -1.229 1.00 21.21 H new ATOM 0 HD3 LYS A 93 -13.363 -5.076 -0.316 1.00 21.21 H new ATOM 0 HE2 LYS A 93 -13.076 -4.649 -3.303 1.00 34.11 H new ATOM 0 HE3 LYS A 93 -13.802 -6.080 -2.598 1.00 34.11 H new ATOM 0 HZ1 LYS A 93 -15.665 -4.935 -2.836 1.00 43.34 H new ATOM 0 HZ2 LYS A 93 -15.205 -4.139 -1.409 1.00 43.34 H new ATOM 0 HZ3 LYS A 93 -14.881 -3.431 -2.917 1.00 43.34 H new ATOM 1315 N THR A 94 -11.973 -0.432 2.030 1.00 13.50 N ATOM 1316 CA THR A 94 -10.975 0.442 2.645 1.00 65.01 C ATOM 1317 C THR A 94 -10.754 0.133 4.119 1.00 23.23 C ATOM 1318 O THR A 94 -9.612 0.124 4.579 1.00 62.30 O ATOM 1319 CB THR A 94 -11.348 1.916 2.420 1.00 62.44 C ATOM 1320 OG1 THR A 94 -12.751 2.089 2.402 1.00 61.33 O ATOM 1321 CG2 THR A 94 -10.793 2.311 1.061 1.00 72.34 C ATOM 0 H THR A 94 -12.769 0.070 1.637 1.00 13.50 H new ATOM 0 HA THR A 94 -10.021 0.248 2.154 1.00 65.01 H new ATOM 0 HB THR A 94 -10.941 2.527 3.225 1.00 62.44 H new ATOM 0 HG1 THR A 94 -12.962 3.035 2.259 1.00 61.33 H new ATOM 0 HG21 THR A 94 -11.035 3.354 0.858 1.00 72.34 H new ATOM 0 HG22 THR A 94 -9.711 2.183 1.059 1.00 72.34 H new ATOM 0 HG23 THR A 94 -11.235 1.680 0.290 1.00 72.34 H new ATOM 1329 N SER A 95 -11.822 -0.177 4.849 1.00 23.44 N ATOM 1330 CA SER A 95 -11.710 -0.506 6.263 1.00 33.22 C ATOM 1331 C SER A 95 -10.813 -1.740 6.435 1.00 51.24 C ATOM 1332 O SER A 95 -9.949 -1.771 7.312 1.00 52.15 O ATOM 1333 CB SER A 95 -13.109 -0.723 6.857 1.00 44.03 C ATOM 1334 OG SER A 95 -13.120 -0.338 8.216 1.00 60.33 O ATOM 0 H SER A 95 -12.774 -0.207 4.483 1.00 23.44 H new ATOM 0 HA SER A 95 -11.247 0.319 6.805 1.00 33.22 H new ATOM 0 HB2 SER A 95 -13.844 -0.142 6.300 1.00 44.03 H new ATOM 0 HB3 SER A 95 -13.394 -1.771 6.765 1.00 44.03 H new ATOM 0 HG SER A 95 -14.016 -0.477 8.588 1.00 60.33 H new ATOM 1340 N SER A 96 -10.976 -2.749 5.574 1.00 53.13 N ATOM 1341 CA SER A 96 -10.180 -3.970 5.650 1.00 40.23 C ATOM 1342 C SER A 96 -8.723 -3.703 5.261 1.00 23.25 C ATOM 1343 O SER A 96 -7.825 -4.377 5.763 1.00 31.44 O ATOM 1344 CB SER A 96 -10.811 -5.078 4.798 1.00 53.14 C ATOM 1345 OG SER A 96 -11.637 -4.561 3.769 1.00 15.54 O ATOM 0 H SER A 96 -11.656 -2.740 4.814 1.00 53.13 H new ATOM 0 HA SER A 96 -10.173 -4.316 6.684 1.00 40.23 H new ATOM 0 HB2 SER A 96 -10.022 -5.687 4.356 1.00 53.14 H new ATOM 0 HB3 SER A 96 -11.400 -5.735 5.438 1.00 53.14 H new ATOM 0 HG SER A 96 -11.156 -3.857 3.286 1.00 15.54 H new ATOM 1351 N ILE A 97 -8.474 -2.735 4.374 1.00 55.24 N ATOM 1352 CA ILE A 97 -7.130 -2.373 3.941 1.00 73.53 C ATOM 1353 C ILE A 97 -6.402 -1.776 5.139 1.00 53.23 C ATOM 1354 O ILE A 97 -5.284 -2.195 5.415 1.00 34.41 O ATOM 1355 CB ILE A 97 -7.191 -1.377 2.769 1.00 54.51 C ATOM 1356 CG1 ILE A 97 -7.598 -2.115 1.482 1.00 63.31 C ATOM 1357 CG2 ILE A 97 -5.882 -0.619 2.515 1.00 13.00 C ATOM 1358 CD1 ILE A 97 -8.403 -1.222 0.528 1.00 23.35 C ATOM 0 H ILE A 97 -9.208 -2.179 3.936 1.00 55.24 H new ATOM 0 HA ILE A 97 -6.592 -3.251 3.583 1.00 73.53 H new ATOM 0 HB ILE A 97 -7.933 -0.630 3.053 1.00 54.51 H new ATOM 0 HG12 ILE A 97 -6.703 -2.473 0.973 1.00 63.31 H new ATOM 0 HG13 ILE A 97 -8.190 -2.993 1.741 1.00 63.31 H new ATOM 0 HG21 ILE A 97 -6.013 0.061 1.673 1.00 13.00 H new ATOM 0 HG22 ILE A 97 -5.614 -0.048 3.404 1.00 13.00 H new ATOM 0 HG23 ILE A 97 -5.088 -1.330 2.287 1.00 13.00 H new ATOM 0 HD11 ILE A 97 -8.666 -1.788 -0.365 1.00 23.35 H new ATOM 0 HD12 ILE A 97 -9.312 -0.885 1.025 1.00 23.35 H new ATOM 0 HD13 ILE A 97 -7.803 -0.357 0.245 1.00 23.35 H new ATOM 1370 N ALA A 98 -7.011 -0.817 5.851 1.00 0.01 N ATOM 1371 CA ALA A 98 -6.373 -0.196 7.008 1.00 13.32 C ATOM 1372 C ALA A 98 -6.001 -1.254 8.051 1.00 33.31 C ATOM 1373 O ALA A 98 -4.906 -1.240 8.626 1.00 11.31 O ATOM 1374 CB ALA A 98 -7.285 0.868 7.615 1.00 22.34 C ATOM 0 H ALA A 98 -7.943 -0.459 5.642 1.00 0.01 H new ATOM 0 HA ALA A 98 -5.456 0.290 6.676 1.00 13.32 H new ATOM 0 HB1 ALA A 98 -6.793 1.320 8.476 1.00 22.34 H new ATOM 0 HB2 ALA A 98 -7.493 1.637 6.871 1.00 22.34 H new ATOM 0 HB3 ALA A 98 -8.221 0.407 7.932 1.00 22.34 H new ATOM 1380 N SER A 99 -6.908 -2.207 8.257 1.00 23.33 N ATOM 1381 CA SER A 99 -6.697 -3.296 9.192 1.00 54.02 C ATOM 1382 C SER A 99 -5.515 -4.161 8.728 1.00 12.54 C ATOM 1383 O SER A 99 -4.624 -4.453 9.536 1.00 71.44 O ATOM 1384 CB SER A 99 -7.975 -4.123 9.292 1.00 61.30 C ATOM 1385 OG SER A 99 -9.013 -3.438 9.963 1.00 51.44 O ATOM 0 H SER A 99 -7.808 -2.241 7.778 1.00 23.33 H new ATOM 0 HA SER A 99 -6.457 -2.899 10.179 1.00 54.02 H new ATOM 0 HB2 SER A 99 -8.310 -4.391 8.290 1.00 61.30 H new ATOM 0 HB3 SER A 99 -7.761 -5.054 9.816 1.00 61.30 H new ATOM 0 HG SER A 99 -9.478 -2.850 9.332 1.00 51.44 H new ATOM 1391 N ALA A 100 -5.479 -4.551 7.444 1.00 70.00 N ATOM 1392 CA ALA A 100 -4.402 -5.377 6.910 1.00 71.03 C ATOM 1393 C ALA A 100 -3.063 -4.627 6.938 1.00 50.54 C ATOM 1394 O ALA A 100 -2.031 -5.230 7.222 1.00 12.22 O ATOM 1395 CB ALA A 100 -4.756 -5.843 5.495 1.00 74.31 C ATOM 0 H ALA A 100 -6.192 -4.302 6.758 1.00 70.00 H new ATOM 0 HA ALA A 100 -4.288 -6.257 7.543 1.00 71.03 H new ATOM 0 HB1 ALA A 100 -3.947 -6.459 5.102 1.00 74.31 H new ATOM 0 HB2 ALA A 100 -5.676 -6.427 5.524 1.00 74.31 H new ATOM 0 HB3 ALA A 100 -4.897 -4.975 4.851 1.00 74.31 H new ATOM 1401 N LEU A 101 -3.069 -3.316 6.665 1.00 62.42 N ATOM 1402 CA LEU A 101 -1.892 -2.447 6.663 1.00 44.42 C ATOM 1403 C LEU A 101 -1.291 -2.433 8.056 1.00 1.52 C ATOM 1404 O LEU A 101 -0.080 -2.590 8.196 1.00 3.23 O ATOM 1405 CB LEU A 101 -2.264 -1.005 6.275 1.00 75.41 C ATOM 1406 CG LEU A 101 -2.283 -0.763 4.761 1.00 34.23 C ATOM 1407 CD1 LEU A 101 -3.084 0.502 4.444 1.00 0.34 C ATOM 1408 CD2 LEU A 101 -0.867 -0.587 4.212 1.00 74.02 C ATOM 0 H LEU A 101 -3.927 -2.816 6.431 1.00 62.42 H new ATOM 0 HA LEU A 101 -1.181 -2.833 5.933 1.00 44.42 H new ATOM 0 HB2 LEU A 101 -3.246 -0.769 6.685 1.00 75.41 H new ATOM 0 HB3 LEU A 101 -1.553 -0.319 6.735 1.00 75.41 H new ATOM 0 HG LEU A 101 -2.744 -1.633 4.293 1.00 34.23 H new ATOM 0 HD11 LEU A 101 -3.093 0.667 3.367 1.00 0.34 H new ATOM 0 HD12 LEU A 101 -4.107 0.384 4.801 1.00 0.34 H new ATOM 0 HD13 LEU A 101 -2.624 1.358 4.938 1.00 0.34 H new ATOM 0 HD21 LEU A 101 -0.912 -0.417 3.136 1.00 74.02 H new ATOM 0 HD22 LEU A 101 -0.393 0.268 4.695 1.00 74.02 H new ATOM 0 HD23 LEU A 101 -0.284 -1.486 4.413 1.00 74.02 H new ATOM 1420 N SER A 102 -2.136 -2.245 9.075 1.00 4.23 N ATOM 1421 CA SER A 102 -1.696 -2.228 10.460 1.00 52.04 C ATOM 1422 C SER A 102 -0.964 -3.534 10.755 1.00 45.41 C ATOM 1423 O SER A 102 0.159 -3.521 11.260 1.00 22.10 O ATOM 1424 CB SER A 102 -2.892 -2.075 11.406 1.00 22.13 C ATOM 1425 OG SER A 102 -3.629 -0.888 11.187 1.00 2.22 O ATOM 0 H SER A 102 -3.139 -2.102 8.956 1.00 4.23 H new ATOM 0 HA SER A 102 -1.029 -1.380 10.617 1.00 52.04 H new ATOM 0 HB2 SER A 102 -3.554 -2.933 11.286 1.00 22.13 H new ATOM 0 HB3 SER A 102 -2.536 -2.089 12.436 1.00 22.13 H new ATOM 0 HG SER A 102 -4.103 -0.950 10.331 1.00 2.22 H new ATOM 1431 N ASN A 103 -1.595 -4.657 10.397 1.00 4.32 N ATOM 1432 CA ASN A 103 -1.027 -5.971 10.621 1.00 33.40 C ATOM 1433 C ASN A 103 0.298 -6.122 9.871 1.00 71.34 C ATOM 1434 O ASN A 103 1.254 -6.585 10.480 1.00 72.44 O ATOM 1435 CB ASN A 103 -2.036 -7.066 10.234 1.00 34.25 C ATOM 1436 CG ASN A 103 -1.832 -8.395 10.961 1.00 40.22 C ATOM 1437 OD1 ASN A 103 -2.769 -9.185 11.044 1.00 3.42 O ATOM 1438 ND2 ASN A 103 -0.669 -8.673 11.527 1.00 2.41 N ATOM 0 H ASN A 103 -2.510 -4.671 9.946 1.00 4.32 H new ATOM 0 HA ASN A 103 -0.811 -6.085 11.683 1.00 33.40 H new ATOM 0 HB2 ASN A 103 -3.044 -6.704 10.439 1.00 34.25 H new ATOM 0 HB3 ASN A 103 -1.972 -7.239 9.160 1.00 34.25 H new ATOM 0 HD21 ASN A 103 -0.546 -9.548 12.036 1.00 2.41 H new ATOM 0 HD22 ASN A 103 0.105 -8.012 11.454 1.00 2.41 H new ATOM 1445 N ALA A 104 0.378 -5.705 8.599 1.00 13.15 N ATOM 1446 CA ALA A 104 1.573 -5.796 7.757 1.00 72.15 C ATOM 1447 C ALA A 104 2.749 -5.009 8.346 1.00 71.11 C ATOM 1448 O ALA A 104 3.898 -5.451 8.261 1.00 55.20 O ATOM 1449 CB ALA A 104 1.253 -5.327 6.327 1.00 71.50 C ATOM 0 H ALA A 104 -0.414 -5.282 8.115 1.00 13.15 H new ATOM 0 HA ALA A 104 1.878 -6.842 7.722 1.00 72.15 H new ATOM 0 HB1 ALA A 104 2.149 -5.399 5.711 1.00 71.50 H new ATOM 0 HB2 ALA A 104 0.470 -5.957 5.904 1.00 71.50 H new ATOM 0 HB3 ALA A 104 0.912 -4.292 6.351 1.00 71.50 H new ATOM 1455 N PHE A 105 2.490 -3.832 8.927 1.00 64.23 N ATOM 1456 CA PHE A 105 3.538 -3.016 9.535 1.00 62.03 C ATOM 1457 C PHE A 105 4.083 -3.779 10.744 1.00 44.10 C ATOM 1458 O PHE A 105 5.293 -3.982 10.868 1.00 41.41 O ATOM 1459 CB PHE A 105 3.008 -1.627 9.915 1.00 52.23 C ATOM 1460 CG PHE A 105 3.861 -0.485 9.395 1.00 50.43 C ATOM 1461 CD1 PHE A 105 5.079 -0.152 10.021 1.00 72.51 C ATOM 1462 CD2 PHE A 105 3.423 0.272 8.291 1.00 61.42 C ATOM 1463 CE1 PHE A 105 5.792 0.989 9.617 1.00 2.00 C ATOM 1464 CE2 PHE A 105 4.146 1.407 7.885 1.00 72.44 C ATOM 1465 CZ PHE A 105 5.320 1.780 8.559 1.00 72.04 C ATOM 0 H PHE A 105 1.557 -3.425 8.987 1.00 64.23 H new ATOM 0 HA PHE A 105 4.346 -2.842 8.824 1.00 62.03 H new ATOM 0 HB2 PHE A 105 1.995 -1.517 9.529 1.00 52.23 H new ATOM 0 HB3 PHE A 105 2.945 -1.557 11.001 1.00 52.23 H new ATOM 0 HD1 PHE A 105 5.465 -0.776 10.814 1.00 72.51 H new ATOM 0 HD2 PHE A 105 2.531 -0.020 7.756 1.00 61.42 H new ATOM 0 HE1 PHE A 105 6.707 1.258 10.123 1.00 2.00 H new ATOM 0 HE2 PHE A 105 3.796 1.996 7.050 1.00 72.44 H new ATOM 0 HZ PHE A 105 5.856 2.670 8.265 1.00 72.04 H new ATOM 1475 N LEU A 106 3.193 -4.278 11.610 1.00 60.44 N ATOM 1476 CA LEU A 106 3.605 -5.041 12.784 1.00 34.21 C ATOM 1477 C LEU A 106 4.369 -6.291 12.339 1.00 2.22 C ATOM 1478 O LEU A 106 5.385 -6.633 12.938 1.00 75.01 O ATOM 1479 CB LEU A 106 2.401 -5.436 13.648 1.00 12.13 C ATOM 1480 CG LEU A 106 1.643 -4.250 14.272 1.00 41.13 C ATOM 1481 CD1 LEU A 106 0.417 -4.789 14.993 1.00 20.41 C ATOM 1482 CD2 LEU A 106 2.481 -3.455 15.271 1.00 42.14 C ATOM 0 H LEU A 106 2.184 -4.165 11.516 1.00 60.44 H new ATOM 0 HA LEU A 106 4.255 -4.411 13.392 1.00 34.21 H new ATOM 0 HB2 LEU A 106 1.706 -6.013 13.038 1.00 12.13 H new ATOM 0 HB3 LEU A 106 2.744 -6.092 14.448 1.00 12.13 H new ATOM 0 HG LEU A 106 1.379 -3.572 13.460 1.00 41.13 H new ATOM 0 HD11 LEU A 106 -0.134 -3.962 15.442 1.00 20.41 H new ATOM 0 HD12 LEU A 106 -0.225 -5.308 14.281 1.00 20.41 H new ATOM 0 HD13 LEU A 106 0.730 -5.483 15.773 1.00 20.41 H new ATOM 0 HD21 LEU A 106 1.887 -2.634 15.673 1.00 42.14 H new ATOM 0 HD22 LEU A 106 2.794 -4.109 16.085 1.00 42.14 H new ATOM 0 HD23 LEU A 106 3.361 -3.054 14.769 1.00 42.14 H new ATOM 1494 N GLN A 107 3.934 -6.948 11.266 1.00 41.45 N ATOM 1495 CA GLN A 107 4.550 -8.143 10.701 1.00 22.44 C ATOM 1496 C GLN A 107 5.911 -7.867 10.047 1.00 74.43 C ATOM 1497 O GLN A 107 6.552 -8.822 9.604 1.00 24.32 O ATOM 1498 CB GLN A 107 3.583 -8.772 9.694 1.00 72.31 C ATOM 1499 CG GLN A 107 2.423 -9.479 10.398 1.00 53.04 C ATOM 1500 CD GLN A 107 1.295 -9.868 9.443 1.00 31.30 C ATOM 1501 OE1 GLN A 107 0.761 -9.057 8.689 1.00 62.11 O ATOM 1502 NE2 GLN A 107 0.866 -11.114 9.501 1.00 61.41 N ATOM 0 H GLN A 107 3.109 -6.649 10.746 1.00 41.45 H new ATOM 0 HA GLN A 107 4.747 -8.835 11.520 1.00 22.44 H new ATOM 0 HB2 GLN A 107 3.192 -7.999 9.032 1.00 72.31 H new ATOM 0 HB3 GLN A 107 4.120 -9.485 9.069 1.00 72.31 H new ATOM 0 HG2 GLN A 107 2.797 -10.375 10.894 1.00 53.04 H new ATOM 0 HG3 GLN A 107 2.025 -8.827 11.176 1.00 53.04 H new ATOM 0 HE21 GLN A 107 1.316 -11.779 10.130 1.00 61.41 H new ATOM 0 HE22 GLN A 107 0.085 -11.412 8.917 1.00 61.41 H new ATOM 1511 N THR A 108 6.360 -6.611 9.962 1.00 73.22 N ATOM 1512 CA THR A 108 7.649 -6.260 9.383 1.00 72.33 C ATOM 1513 C THR A 108 8.559 -5.645 10.453 1.00 60.41 C ATOM 1514 O THR A 108 9.707 -6.084 10.559 1.00 24.40 O ATOM 1515 CB THR A 108 7.509 -5.418 8.097 1.00 71.10 C ATOM 1516 OG1 THR A 108 6.471 -4.455 8.155 1.00 41.12 O ATOM 1517 CG2 THR A 108 7.240 -6.297 6.872 1.00 10.41 C ATOM 0 H THR A 108 5.830 -5.807 10.298 1.00 73.22 H new ATOM 0 HA THR A 108 8.143 -7.171 9.044 1.00 72.33 H new ATOM 0 HB THR A 108 8.466 -4.903 8.010 1.00 71.10 H new ATOM 0 HG1 THR A 108 5.604 -4.910 8.188 1.00 41.12 H new ATOM 0 HG21 THR A 108 7.147 -5.668 5.986 1.00 10.41 H new ATOM 0 HG22 THR A 108 8.066 -6.995 6.737 1.00 10.41 H new ATOM 0 HG23 THR A 108 6.315 -6.854 7.020 1.00 10.41 H new ATOM 1525 N THR A 109 8.077 -4.710 11.279 1.00 41.13 N ATOM 1526 CA THR A 109 8.887 -4.068 12.320 1.00 13.32 C ATOM 1527 C THR A 109 8.319 -4.132 13.741 1.00 24.12 C ATOM 1528 O THR A 109 9.042 -3.817 14.689 1.00 12.12 O ATOM 1529 CB THR A 109 9.185 -2.626 11.890 1.00 72.25 C ATOM 1530 OG1 THR A 109 7.987 -1.968 11.519 1.00 23.24 O ATOM 1531 CG2 THR A 109 10.151 -2.635 10.705 1.00 11.51 C ATOM 0 H THR A 109 7.114 -4.377 11.245 1.00 41.13 H new ATOM 0 HA THR A 109 9.806 -4.649 12.398 1.00 13.32 H new ATOM 0 HB THR A 109 9.637 -2.094 12.727 1.00 72.25 H new ATOM 0 HG1 THR A 109 8.189 -1.048 11.248 1.00 23.24 H new ATOM 0 HG21 THR A 109 10.362 -1.610 10.400 1.00 11.51 H new ATOM 0 HG22 THR A 109 11.080 -3.126 10.996 1.00 11.51 H new ATOM 0 HG23 THR A 109 9.701 -3.176 9.873 1.00 11.51 H new ATOM 1539 N GLY A 110 7.063 -4.538 13.935 1.00 21.12 N ATOM 1540 CA GLY A 110 6.459 -4.617 15.261 1.00 72.11 C ATOM 1541 C GLY A 110 5.863 -3.288 15.730 1.00 51.14 C ATOM 1542 O GLY A 110 5.331 -3.240 16.838 1.00 24.40 O ATOM 0 H GLY A 110 6.440 -4.820 13.178 1.00 21.12 H new ATOM 0 HA2 GLY A 110 5.677 -5.376 15.253 1.00 72.11 H new ATOM 0 HA3 GLY A 110 7.212 -4.943 15.978 1.00 72.11 H new ATOM 1546 N VAL A 111 5.908 -2.226 14.922 1.00 24.11 N ATOM 1547 CA VAL A 111 5.362 -0.915 15.256 1.00 12.22 C ATOM 1548 C VAL A 111 4.373 -0.506 14.162 1.00 74.20 C ATOM 1549 O VAL A 111 4.483 -0.964 13.027 1.00 20.42 O ATOM 1550 CB VAL A 111 6.501 0.109 15.450 1.00 42.51 C ATOM 1551 CG1 VAL A 111 7.306 -0.203 16.720 1.00 50.11 C ATOM 1552 CG2 VAL A 111 7.473 0.193 14.260 1.00 50.25 C ATOM 0 H VAL A 111 6.336 -2.258 13.997 1.00 24.11 H new ATOM 0 HA VAL A 111 4.823 -0.952 16.203 1.00 12.22 H new ATOM 0 HB VAL A 111 6.003 1.075 15.536 1.00 42.51 H new ATOM 0 HG11 VAL A 111 8.103 0.532 16.835 1.00 50.11 H new ATOM 0 HG12 VAL A 111 6.647 -0.163 17.587 1.00 50.11 H new ATOM 0 HG13 VAL A 111 7.740 -1.200 16.640 1.00 50.11 H new ATOM 0 HG21 VAL A 111 8.244 0.933 14.472 1.00 50.25 H new ATOM 0 HG22 VAL A 111 7.938 -0.780 14.101 1.00 50.25 H new ATOM 0 HG23 VAL A 111 6.926 0.485 13.363 1.00 50.25 H new ATOM 1562 N VAL A 112 3.370 0.299 14.508 1.00 24.32 N ATOM 1563 CA VAL A 112 2.344 0.805 13.601 1.00 4.34 C ATOM 1564 C VAL A 112 2.283 2.341 13.705 1.00 60.31 C ATOM 1565 O VAL A 112 2.597 2.893 14.764 1.00 15.12 O ATOM 1566 CB VAL A 112 1.025 0.061 13.908 1.00 5.11 C ATOM 1567 CG1 VAL A 112 0.430 0.404 15.282 1.00 73.33 C ATOM 1568 CG2 VAL A 112 -0.023 0.279 12.818 1.00 13.20 C ATOM 0 H VAL A 112 3.246 0.629 15.465 1.00 24.32 H new ATOM 0 HA VAL A 112 2.569 0.606 12.553 1.00 4.34 H new ATOM 0 HB VAL A 112 1.298 -0.994 13.930 1.00 5.11 H new ATOM 0 HG11 VAL A 112 -0.494 -0.155 15.428 1.00 73.33 H new ATOM 0 HG12 VAL A 112 1.142 0.139 16.063 1.00 73.33 H new ATOM 0 HG13 VAL A 112 0.219 1.472 15.331 1.00 73.33 H new ATOM 0 HG21 VAL A 112 -0.934 -0.262 13.075 1.00 13.20 H new ATOM 0 HG22 VAL A 112 -0.245 1.343 12.734 1.00 13.20 H new ATOM 0 HG23 VAL A 112 0.360 -0.088 11.866 1.00 13.20 H new ATOM 1578 N ASN A 113 1.858 3.031 12.642 1.00 25.11 N ATOM 1579 CA ASN A 113 1.709 4.483 12.521 1.00 12.33 C ATOM 1580 C ASN A 113 0.289 4.748 12.028 1.00 20.34 C ATOM 1581 O ASN A 113 0.008 4.618 10.838 1.00 35.01 O ATOM 1582 CB ASN A 113 2.728 5.101 11.539 1.00 61.44 C ATOM 1583 CG ASN A 113 3.958 5.668 12.227 1.00 72.54 C ATOM 1584 OD1 ASN A 113 4.547 5.035 13.096 1.00 2.31 O ATOM 1585 ND2 ASN A 113 4.386 6.868 11.879 1.00 43.14 N ATOM 0 H ASN A 113 1.590 2.554 11.781 1.00 25.11 H new ATOM 0 HA ASN A 113 1.896 4.945 13.490 1.00 12.33 H new ATOM 0 HB2 ASN A 113 3.039 4.341 10.823 1.00 61.44 H new ATOM 0 HB3 ASN A 113 2.240 5.893 10.971 1.00 61.44 H new ATOM 0 HD21 ASN A 113 5.207 7.268 12.333 1.00 43.14 H new ATOM 0 HD22 ASN A 113 3.896 7.394 11.156 1.00 43.14 H new ATOM 1592 N GLN A 114 -0.611 5.129 12.932 1.00 54.00 N ATOM 1593 CA GLN A 114 -2.008 5.410 12.611 1.00 54.20 C ATOM 1594 C GLN A 114 -2.243 6.405 11.452 1.00 23.20 C ATOM 1595 O GLN A 114 -3.038 6.054 10.575 1.00 24.31 O ATOM 1596 CB GLN A 114 -2.752 5.882 13.864 1.00 4.42 C ATOM 1597 CG GLN A 114 -2.853 4.802 14.946 1.00 22.44 C ATOM 1598 CD GLN A 114 -3.773 5.223 16.092 1.00 1.11 C ATOM 1599 OE1 GLN A 114 -4.709 5.999 15.926 1.00 3.14 O ATOM 1600 NE2 GLN A 114 -3.544 4.721 17.290 1.00 33.40 N ATOM 0 H GLN A 114 -0.388 5.253 13.920 1.00 54.00 H new ATOM 0 HA GLN A 114 -2.406 4.461 12.251 1.00 54.20 H new ATOM 0 HB2 GLN A 114 -2.242 6.753 14.275 1.00 4.42 H new ATOM 0 HB3 GLN A 114 -3.756 6.202 13.584 1.00 4.42 H new ATOM 0 HG2 GLN A 114 -3.226 3.879 14.503 1.00 22.44 H new ATOM 0 HG3 GLN A 114 -1.859 4.589 15.339 1.00 22.44 H new ATOM 0 HE21 GLN A 114 -2.767 4.076 17.433 1.00 33.40 H new ATOM 0 HE22 GLN A 114 -4.144 4.978 18.074 1.00 33.40 H new ATOM 1609 N PRO A 115 -1.613 7.598 11.387 1.00 42.23 N ATOM 1610 CA PRO A 115 -1.858 8.539 10.294 1.00 15.13 C ATOM 1611 C PRO A 115 -1.321 8.013 8.967 1.00 43.10 C ATOM 1612 O PRO A 115 -1.953 8.228 7.936 1.00 3.13 O ATOM 1613 CB PRO A 115 -1.198 9.855 10.703 1.00 24.12 C ATOM 1614 CG PRO A 115 -0.084 9.407 11.639 1.00 4.15 C ATOM 1615 CD PRO A 115 -0.658 8.170 12.323 1.00 34.31 C ATOM 0 HA PRO A 115 -2.926 8.681 10.132 1.00 15.13 H new ATOM 0 HB2 PRO A 115 -0.807 10.395 9.841 1.00 24.12 H new ATOM 0 HB3 PRO A 115 -1.902 10.520 11.203 1.00 24.12 H new ATOM 0 HG2 PRO A 115 0.829 9.174 11.091 1.00 4.15 H new ATOM 0 HG3 PRO A 115 0.167 10.183 12.362 1.00 4.15 H new ATOM 0 HD2 PRO A 115 0.130 7.455 12.561 1.00 34.31 H new ATOM 0 HD3 PRO A 115 -1.143 8.434 13.262 1.00 34.31 H new ATOM 1623 N PHE A 116 -0.206 7.271 8.991 1.00 21.41 N ATOM 1624 CA PHE A 116 0.385 6.702 7.787 1.00 1.04 C ATOM 1625 C PHE A 116 -0.628 5.772 7.127 1.00 60.22 C ATOM 1626 O PHE A 116 -0.661 5.645 5.912 1.00 63.40 O ATOM 1627 CB PHE A 116 1.680 5.954 8.124 1.00 24.11 C ATOM 1628 CG PHE A 116 2.400 5.381 6.918 1.00 44.32 C ATOM 1629 CD1 PHE A 116 2.004 4.145 6.368 1.00 11.41 C ATOM 1630 CD2 PHE A 116 3.476 6.082 6.343 1.00 54.23 C ATOM 1631 CE1 PHE A 116 2.670 3.624 5.246 1.00 24.24 C ATOM 1632 CE2 PHE A 116 4.159 5.543 5.240 1.00 61.24 C ATOM 1633 CZ PHE A 116 3.756 4.317 4.688 1.00 53.02 C ATOM 0 H PHE A 116 0.305 7.053 9.846 1.00 21.41 H new ATOM 0 HA PHE A 116 0.640 7.502 7.092 1.00 1.04 H new ATOM 0 HB2 PHE A 116 2.354 6.634 8.646 1.00 24.11 H new ATOM 0 HB3 PHE A 116 1.448 5.143 8.814 1.00 24.11 H new ATOM 0 HD1 PHE A 116 1.186 3.597 6.811 1.00 11.41 H new ATOM 0 HD2 PHE A 116 3.777 7.036 6.750 1.00 54.23 H new ATOM 0 HE1 PHE A 116 2.346 2.689 4.812 1.00 24.24 H new ATOM 0 HE2 PHE A 116 4.998 6.074 4.815 1.00 61.24 H new ATOM 0 HZ PHE A 116 4.280 3.908 3.837 1.00 53.02 H new ATOM 1643 N ILE A 117 -1.416 5.051 7.919 1.00 43.30 N ATOM 1644 CA ILE A 117 -2.431 4.154 7.396 1.00 23.10 C ATOM 1645 C ILE A 117 -3.621 4.988 6.910 1.00 20.00 C ATOM 1646 O ILE A 117 -4.174 4.693 5.848 1.00 51.22 O ATOM 1647 CB ILE A 117 -2.778 3.102 8.465 1.00 74.45 C ATOM 1648 CG1 ILE A 117 -1.498 2.284 8.754 1.00 52.14 C ATOM 1649 CG2 ILE A 117 -3.909 2.176 7.987 1.00 34.43 C ATOM 1650 CD1 ILE A 117 -1.649 1.346 9.938 1.00 24.41 C ATOM 0 H ILE A 117 -1.366 5.075 8.938 1.00 43.30 H new ATOM 0 HA ILE A 117 -2.076 3.593 6.532 1.00 23.10 H new ATOM 0 HB ILE A 117 -3.129 3.597 9.370 1.00 74.45 H new ATOM 0 HG12 ILE A 117 -1.236 1.704 7.869 1.00 52.14 H new ATOM 0 HG13 ILE A 117 -0.671 2.968 8.943 1.00 52.14 H new ATOM 0 HG21 ILE A 117 -4.132 1.444 8.763 1.00 34.43 H new ATOM 0 HG22 ILE A 117 -4.801 2.768 7.779 1.00 34.43 H new ATOM 0 HG23 ILE A 117 -3.597 1.659 7.079 1.00 34.43 H new ATOM 0 HD11 ILE A 117 -0.718 0.800 10.091 1.00 24.41 H new ATOM 0 HD12 ILE A 117 -1.882 1.924 10.833 1.00 24.41 H new ATOM 0 HD13 ILE A 117 -2.456 0.640 9.742 1.00 24.41 H new ATOM 1662 N ASN A 118 -4.006 6.030 7.661 1.00 75.55 N ATOM 1663 CA ASN A 118 -5.138 6.871 7.285 1.00 52.40 C ATOM 1664 C ASN A 118 -4.923 7.532 5.923 1.00 61.44 C ATOM 1665 O ASN A 118 -5.762 7.374 5.036 1.00 23.41 O ATOM 1666 CB ASN A 118 -5.461 7.920 8.352 1.00 0.40 C ATOM 1667 CG ASN A 118 -6.839 8.505 8.066 1.00 54.02 C ATOM 1668 OD1 ASN A 118 -7.045 9.227 7.096 1.00 25.11 O ATOM 1669 ND2 ASN A 118 -7.842 8.181 8.865 1.00 33.10 N ATOM 0 H ASN A 118 -3.547 6.305 8.530 1.00 75.55 H new ATOM 0 HA ASN A 118 -6.000 6.209 7.207 1.00 52.40 H new ATOM 0 HB2 ASN A 118 -5.442 7.468 9.344 1.00 0.40 H new ATOM 0 HB3 ASN A 118 -4.708 8.708 8.346 1.00 0.40 H new ATOM 0 HD21 ASN A 118 -8.781 8.531 8.673 1.00 33.10 H new ATOM 0 HD22 ASN A 118 -7.677 7.581 9.673 1.00 33.10 H new ATOM 1676 N GLU A 119 -3.788 8.203 5.718 1.00 44.24 N ATOM 1677 CA GLU A 119 -3.453 8.888 4.467 1.00 30.12 C ATOM 1678 C GLU A 119 -3.433 7.926 3.269 1.00 1.22 C ATOM 1679 O GLU A 119 -3.724 8.342 2.144 1.00 4.22 O ATOM 1680 CB GLU A 119 -2.135 9.660 4.621 1.00 11.02 C ATOM 1681 CG GLU A 119 -0.928 8.728 4.721 1.00 30.04 C ATOM 1682 CD GLU A 119 0.311 9.390 5.332 1.00 45.41 C ATOM 1683 OE1 GLU A 119 0.236 10.021 6.410 1.00 4.53 O ATOM 1684 OE2 GLU A 119 1.397 9.258 4.715 1.00 63.35 O ATOM 0 H GLU A 119 -3.062 8.287 6.430 1.00 44.24 H new ATOM 0 HA GLU A 119 -4.240 9.611 4.253 1.00 30.12 H new ATOM 0 HB2 GLU A 119 -2.006 10.329 3.770 1.00 11.02 H new ATOM 0 HB3 GLU A 119 -2.184 10.285 5.513 1.00 11.02 H new ATOM 0 HG2 GLU A 119 -1.199 7.860 5.322 1.00 30.04 H new ATOM 0 HG3 GLU A 119 -0.680 8.361 3.725 1.00 30.04 H new ATOM 1691 N ILE A 120 -3.095 6.650 3.495 1.00 64.11 N ATOM 1692 CA ILE A 120 -3.080 5.631 2.457 1.00 22.14 C ATOM 1693 C ILE A 120 -4.546 5.357 2.122 1.00 32.11 C ATOM 1694 O ILE A 120 -4.906 5.359 0.945 1.00 3.43 O ATOM 1695 CB ILE A 120 -2.306 4.374 2.925 1.00 10.14 C ATOM 1696 CG1 ILE A 120 -0.793 4.660 3.052 1.00 25.44 C ATOM 1697 CG2 ILE A 120 -2.556 3.164 2.007 1.00 11.45 C ATOM 1698 CD1 ILE A 120 -0.039 4.709 1.730 1.00 73.24 C ATOM 0 H ILE A 120 -2.823 6.301 4.414 1.00 64.11 H new ATOM 0 HA ILE A 120 -2.552 5.958 1.561 1.00 22.14 H new ATOM 0 HB ILE A 120 -2.690 4.119 3.913 1.00 10.14 H new ATOM 0 HG12 ILE A 120 -0.659 5.612 3.566 1.00 25.44 H new ATOM 0 HG13 ILE A 120 -0.344 3.892 3.682 1.00 25.44 H new ATOM 0 HG21 ILE A 120 -1.993 2.306 2.374 1.00 11.45 H new ATOM 0 HG22 ILE A 120 -3.619 2.925 2.002 1.00 11.45 H new ATOM 0 HG23 ILE A 120 -2.233 3.403 0.994 1.00 11.45 H new ATOM 0 HD11 ILE A 120 1.014 4.915 1.919 1.00 73.24 H new ATOM 0 HD12 ILE A 120 -0.135 3.750 1.220 1.00 73.24 H new ATOM 0 HD13 ILE A 120 -0.456 5.497 1.103 1.00 73.24 H new ATOM 1710 N THR A 121 -5.408 5.133 3.125 1.00 21.24 N ATOM 1711 CA THR A 121 -6.824 4.889 2.841 1.00 22.43 C ATOM 1712 C THR A 121 -7.446 6.099 2.145 1.00 11.05 C ATOM 1713 O THR A 121 -8.262 5.919 1.247 1.00 33.40 O ATOM 1714 CB THR A 121 -7.631 4.471 4.079 1.00 40.01 C ATOM 1715 OG1 THR A 121 -7.293 5.160 5.271 1.00 60.45 O ATOM 1716 CG2 THR A 121 -7.429 2.982 4.343 1.00 54.32 C ATOM 0 H THR A 121 -5.156 5.116 4.113 1.00 21.24 H new ATOM 0 HA THR A 121 -6.867 4.036 2.164 1.00 22.43 H new ATOM 0 HB THR A 121 -8.664 4.722 3.840 1.00 40.01 H new ATOM 0 HG1 THR A 121 -6.765 5.956 5.050 1.00 60.45 H new ATOM 0 HG21 THR A 121 -8.002 2.687 5.222 1.00 54.32 H new ATOM 0 HG22 THR A 121 -7.769 2.410 3.480 1.00 54.32 H new ATOM 0 HG23 THR A 121 -6.371 2.783 4.516 1.00 54.32 H new ATOM 1724 N GLN A 122 -7.022 7.314 2.504 1.00 71.12 N ATOM 1725 CA GLN A 122 -7.515 8.543 1.899 1.00 52.02 C ATOM 1726 C GLN A 122 -7.244 8.519 0.397 1.00 70.21 C ATOM 1727 O GLN A 122 -8.099 8.965 -0.362 1.00 61.21 O ATOM 1728 CB GLN A 122 -6.879 9.772 2.563 1.00 50.33 C ATOM 1729 CG GLN A 122 -7.573 10.143 3.877 1.00 1.14 C ATOM 1730 CD GLN A 122 -8.836 10.952 3.596 1.00 65.12 C ATOM 1731 OE1 GLN A 122 -9.872 10.409 3.224 1.00 34.13 O ATOM 1732 NE2 GLN A 122 -8.782 12.266 3.682 1.00 61.23 N ATOM 0 H GLN A 122 -6.321 7.468 3.229 1.00 71.12 H new ATOM 0 HA GLN A 122 -8.591 8.611 2.056 1.00 52.02 H new ATOM 0 HB2 GLN A 122 -5.824 9.575 2.754 1.00 50.33 H new ATOM 0 HB3 GLN A 122 -6.926 10.618 1.878 1.00 50.33 H new ATOM 0 HG2 GLN A 122 -7.827 9.239 4.430 1.00 1.14 H new ATOM 0 HG3 GLN A 122 -6.894 10.721 4.505 1.00 1.14 H new ATOM 0 HE21 GLN A 122 -7.923 12.722 3.991 1.00 61.23 H new ATOM 0 HE22 GLN A 122 -9.599 12.827 3.440 1.00 61.23 H new ATOM 1741 N LEU A 123 -6.088 8.006 -0.052 1.00 21.14 N ATOM 1742 CA LEU A 123 -5.796 7.928 -1.481 1.00 61.53 C ATOM 1743 C LEU A 123 -6.843 7.012 -2.122 1.00 33.50 C ATOM 1744 O LEU A 123 -7.416 7.392 -3.144 1.00 31.53 O ATOM 1745 CB LEU A 123 -4.375 7.404 -1.774 1.00 13.34 C ATOM 1746 CG LEU A 123 -3.235 8.402 -1.506 1.00 3.24 C ATOM 1747 CD1 LEU A 123 -1.895 7.666 -1.415 1.00 71.23 C ATOM 1748 CD2 LEU A 123 -3.106 9.465 -2.606 1.00 3.14 C ATOM 0 H LEU A 123 -5.350 7.644 0.552 1.00 21.14 H new ATOM 0 HA LEU A 123 -5.839 8.933 -1.901 1.00 61.53 H new ATOM 0 HB2 LEU A 123 -4.204 6.512 -1.171 1.00 13.34 H new ATOM 0 HB3 LEU A 123 -4.328 7.097 -2.819 1.00 13.34 H new ATOM 0 HG LEU A 123 -3.482 8.896 -0.566 1.00 3.24 H new ATOM 0 HD11 LEU A 123 -1.097 8.384 -1.225 1.00 71.23 H new ATOM 0 HD12 LEU A 123 -1.932 6.942 -0.601 1.00 71.23 H new ATOM 0 HD13 LEU A 123 -1.700 7.147 -2.354 1.00 71.23 H new ATOM 0 HD21 LEU A 123 -2.286 10.141 -2.364 1.00 3.14 H new ATOM 0 HD22 LEU A 123 -2.905 8.978 -3.560 1.00 3.14 H new ATOM 0 HD23 LEU A 123 -4.035 10.031 -2.676 1.00 3.14 H new ATOM 1760 N VAL A 124 -7.105 5.829 -1.544 1.00 11.33 N ATOM 1761 CA VAL A 124 -8.088 4.893 -2.072 1.00 53.12 C ATOM 1762 C VAL A 124 -9.462 5.562 -2.160 1.00 13.11 C ATOM 1763 O VAL A 124 -10.079 5.533 -3.221 1.00 44.52 O ATOM 1764 CB VAL A 124 -8.180 3.633 -1.186 1.00 11.32 C ATOM 1765 CG1 VAL A 124 -9.019 2.544 -1.863 1.00 1.25 C ATOM 1766 CG2 VAL A 124 -6.820 3.012 -0.842 1.00 72.21 C ATOM 0 H VAL A 124 -6.637 5.502 -0.698 1.00 11.33 H new ATOM 0 HA VAL A 124 -7.768 4.594 -3.070 1.00 53.12 H new ATOM 0 HB VAL A 124 -8.644 3.981 -0.263 1.00 11.32 H new ATOM 0 HG11 VAL A 124 -9.067 1.668 -1.217 1.00 1.25 H new ATOM 0 HG12 VAL A 124 -10.027 2.919 -2.041 1.00 1.25 H new ATOM 0 HG13 VAL A 124 -8.561 2.270 -2.813 1.00 1.25 H new ATOM 0 HG21 VAL A 124 -6.970 2.131 -0.217 1.00 72.21 H new ATOM 0 HG22 VAL A 124 -6.309 2.723 -1.760 1.00 72.21 H new ATOM 0 HG23 VAL A 124 -6.213 3.740 -0.304 1.00 72.21 H new ATOM 1776 N SER A 125 -9.938 6.176 -1.077 1.00 3.33 N ATOM 1777 CA SER A 125 -11.234 6.831 -1.024 1.00 53.12 C ATOM 1778 C SER A 125 -11.347 7.979 -2.026 1.00 51.11 C ATOM 1779 O SER A 125 -12.338 8.047 -2.748 1.00 33.42 O ATOM 1780 CB SER A 125 -11.524 7.249 0.416 1.00 43.34 C ATOM 1781 OG SER A 125 -11.453 6.101 1.240 1.00 4.21 O ATOM 0 H SER A 125 -9.421 6.230 -0.200 1.00 3.33 H new ATOM 0 HA SER A 125 -12.006 6.125 -1.332 1.00 53.12 H new ATOM 0 HB2 SER A 125 -10.803 7.997 0.746 1.00 43.34 H new ATOM 0 HB3 SER A 125 -12.511 7.705 0.486 1.00 43.34 H new ATOM 0 HG SER A 125 -10.514 5.883 1.418 1.00 4.21 H new ATOM 1787 N MET A 126 -10.325 8.827 -2.145 1.00 74.00 N ATOM 1788 CA MET A 126 -10.308 9.952 -3.075 1.00 40.22 C ATOM 1789 C MET A 126 -10.561 9.456 -4.509 1.00 73.21 C ATOM 1790 O MET A 126 -11.259 10.114 -5.285 1.00 4.33 O ATOM 1791 CB MET A 126 -8.952 10.652 -2.911 1.00 51.14 C ATOM 1792 CG MET A 126 -8.804 11.944 -3.709 1.00 45.01 C ATOM 1793 SD MET A 126 -7.216 12.785 -3.442 1.00 44.04 S ATOM 1794 CE MET A 126 -6.141 11.658 -4.373 1.00 10.11 C ATOM 0 H MET A 126 -9.474 8.749 -1.589 1.00 74.00 H new ATOM 0 HA MET A 126 -11.103 10.668 -2.864 1.00 40.22 H new ATOM 0 HB2 MET A 126 -8.797 10.873 -1.855 1.00 51.14 H new ATOM 0 HB3 MET A 126 -8.163 9.962 -3.211 1.00 51.14 H new ATOM 0 HG2 MET A 126 -8.913 11.720 -4.770 1.00 45.01 H new ATOM 0 HG3 MET A 126 -9.614 12.622 -3.441 1.00 45.01 H new ATOM 0 HE1 MET A 126 -5.156 12.109 -4.491 1.00 10.11 H new ATOM 0 HE2 MET A 126 -6.047 10.716 -3.833 1.00 10.11 H new ATOM 0 HE3 MET A 126 -6.574 11.471 -5.356 1.00 10.11 H new ATOM 1804 N PHE A 127 -10.015 8.282 -4.850 1.00 55.44 N ATOM 1805 CA PHE A 127 -10.164 7.651 -6.157 1.00 74.41 C ATOM 1806 C PHE A 127 -11.537 6.982 -6.268 1.00 33.34 C ATOM 1807 O PHE A 127 -12.239 7.131 -7.266 1.00 13.34 O ATOM 1808 CB PHE A 127 -9.024 6.648 -6.328 1.00 3.42 C ATOM 1809 CG PHE A 127 -8.818 6.024 -7.699 1.00 61.43 C ATOM 1810 CD1 PHE A 127 -7.607 6.246 -8.389 1.00 74.40 C ATOM 1811 CD2 PHE A 127 -9.784 5.168 -8.267 1.00 31.33 C ATOM 1812 CE1 PHE A 127 -7.366 5.619 -9.624 1.00 21.54 C ATOM 1813 CE2 PHE A 127 -9.541 4.542 -9.500 1.00 3.01 C ATOM 1814 CZ PHE A 127 -8.333 4.765 -10.179 1.00 61.12 C ATOM 0 H PHE A 127 -9.444 7.735 -4.205 1.00 55.44 H new ATOM 0 HA PHE A 127 -10.110 8.392 -6.955 1.00 74.41 H new ATOM 0 HB2 PHE A 127 -8.097 7.146 -6.046 1.00 3.42 H new ATOM 0 HB3 PHE A 127 -9.181 5.840 -5.614 1.00 3.42 H new ATOM 0 HD1 PHE A 127 -6.861 6.902 -7.966 1.00 74.40 H new ATOM 0 HD2 PHE A 127 -10.716 4.993 -7.751 1.00 31.33 H new ATOM 0 HE1 PHE A 127 -6.437 5.794 -10.146 1.00 21.54 H new ATOM 0 HE2 PHE A 127 -10.286 3.887 -9.927 1.00 3.01 H new ATOM 0 HZ PHE A 127 -8.147 4.281 -11.126 1.00 61.12 H new ATOM 1824 N ALA A 128 -11.928 6.239 -5.232 1.00 0.23 N ATOM 1825 CA ALA A 128 -13.177 5.504 -5.136 1.00 61.52 C ATOM 1826 C ALA A 128 -14.411 6.384 -5.283 1.00 24.32 C ATOM 1827 O ALA A 128 -15.358 6.026 -5.982 1.00 14.01 O ATOM 1828 CB ALA A 128 -13.228 4.797 -3.788 1.00 43.50 C ATOM 0 H ALA A 128 -11.349 6.132 -4.399 1.00 0.23 H new ATOM 0 HA ALA A 128 -13.195 4.794 -5.963 1.00 61.52 H new ATOM 0 HB1 ALA A 128 -14.162 4.241 -3.704 1.00 43.50 H new ATOM 0 HB2 ALA A 128 -12.387 4.108 -3.706 1.00 43.50 H new ATOM 0 HB3 ALA A 128 -13.172 5.535 -2.988 1.00 43.50 H new ATOM 1834 N GLN A 129 -14.435 7.491 -4.547 1.00 10.42 N ATOM 1835 CA GLN A 129 -15.519 8.460 -4.560 1.00 71.30 C ATOM 1836 C GLN A 129 -15.395 9.398 -5.758 1.00 40.51 C ATOM 1837 O GLN A 129 -16.362 10.077 -6.102 1.00 44.11 O ATOM 1838 CB GLN A 129 -15.444 9.313 -3.293 1.00 12.31 C ATOM 1839 CG GLN A 129 -15.491 8.573 -1.946 1.00 42.21 C ATOM 1840 CD GLN A 129 -16.749 7.760 -1.653 1.00 0.13 C ATOM 1841 OE1 GLN A 129 -17.503 7.348 -2.534 1.00 64.31 O ATOM 1842 NE2 GLN A 129 -16.975 7.462 -0.383 1.00 41.22 N ATOM 0 H GLN A 129 -13.680 7.743 -3.909 1.00 10.42 H new ATOM 0 HA GLN A 129 -16.462 7.916 -4.617 1.00 71.30 H new ATOM 0 HB2 GLN A 129 -14.521 9.892 -3.329 1.00 12.31 H new ATOM 0 HB3 GLN A 129 -16.268 10.026 -3.316 1.00 12.31 H new ATOM 0 HG2 GLN A 129 -14.633 7.902 -1.896 1.00 42.21 H new ATOM 0 HG3 GLN A 129 -15.368 9.307 -1.150 1.00 42.21 H new ATOM 0 HE21 GLN A 129 -16.346 7.807 0.342 1.00 41.22 H new ATOM 0 HE22 GLN A 129 -17.779 6.887 -0.129 1.00 41.22 H new