USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 CYS SG : rot -100:sc= 0.876 USER MOD Set 1.2: A 101 CYS SG : rot -52:sc= 0.771 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= -1.01 USER MOD Set 2.2: A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -16:sc= 0.458 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= -1.06 (180deg=-1.45) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -20:sc= 0.162 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.06 K(o=-2.1,f=-1.5) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 126:sc= 0.696 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 25:sc= 0.135 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 57 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.83) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -0.827 K(o=-0.83,f=-1.8) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.2) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 80 SER OG : rot -2:sc= 0.919 USER MOD Single : A 84 ASN : amide:sc= -2.88 K(o=-2.9,f=-4.3!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 93 ASN : amide:sc= -0.0178 X(o=-0.018,f=-0.15) USER MOD Single : A 95 LYS NZ :NH3+ 148:sc=-0.00224 (180deg=-0.355) USER MOD Single : A 97 ASN : amide:sc= -1.76! C(o=-1.8!,f=-3.2!) USER MOD Single : A 100 SER OG : rot 13:sc= 0.692 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 5 -16.900 14.608 20.732 1.00 13.10 N ATOM 47 CA THR A 5 -17.153 13.234 21.147 1.00 2.54 C ATOM 48 C THR A 5 -17.348 12.323 19.940 1.00 23.45 C ATOM 49 O THR A 5 -17.864 12.748 18.906 1.00 41.33 O ATOM 50 CB THR A 5 -18.395 13.140 22.053 1.00 51.21 C ATOM 51 OG1 THR A 5 -19.382 14.088 21.631 1.00 2.34 O ATOM 52 CG2 THR A 5 -18.025 13.398 23.505 1.00 42.15 C ATOM 0 HA THR A 5 -16.278 12.907 21.709 1.00 2.54 H new ATOM 0 HB THR A 5 -18.802 12.132 21.972 1.00 51.21 H new ATOM 0 HG1 THR A 5 -18.968 14.748 21.036 1.00 2.34 H new ATOM 0 HG21 THR A 5 -18.918 13.326 24.126 1.00 42.15 H new ATOM 0 HG22 THR A 5 -17.295 12.657 23.832 1.00 42.15 H new ATOM 0 HG23 THR A 5 -17.596 14.396 23.599 1.00 42.15 H new ATOM 60 N ALA A 6 -16.936 11.067 20.078 1.00 41.24 N ATOM 61 CA ALA A 6 -17.069 10.096 19.000 1.00 33.03 C ATOM 62 C ALA A 6 -17.732 8.815 19.494 1.00 13.05 C ATOM 63 O ALA A 6 -17.614 8.454 20.666 1.00 32.54 O ATOM 64 CB ALA A 6 -15.706 9.788 18.396 1.00 44.21 C ATOM 0 H ALA A 6 -16.507 10.698 20.927 1.00 41.24 H new ATOM 0 HA ALA A 6 -17.706 10.530 18.230 1.00 33.03 H new ATOM 0 HB1 ALA A 6 -15.820 9.061 17.592 1.00 44.21 H new ATOM 0 HB2 ALA A 6 -15.269 10.704 17.998 1.00 44.21 H new ATOM 0 HB3 ALA A 6 -15.051 9.378 19.165 1.00 44.21 H new ATOM 70 N THR A 7 -18.430 8.130 18.594 1.00 45.24 N ATOM 71 CA THR A 7 -19.115 6.890 18.938 1.00 75.55 C ATOM 72 C THR A 7 -18.746 5.772 17.970 1.00 72.52 C ATOM 73 O THR A 7 -18.586 6.002 16.772 1.00 42.12 O ATOM 74 CB THR A 7 -20.644 7.072 18.936 1.00 73.14 C ATOM 75 OG1 THR A 7 -20.979 8.402 18.521 1.00 35.21 O ATOM 76 CG2 THR A 7 -21.222 6.807 20.318 1.00 62.33 C ATOM 0 H THR A 7 -18.536 8.413 17.620 1.00 45.24 H new ATOM 0 HA THR A 7 -18.791 6.619 19.943 1.00 75.55 H new ATOM 0 HB THR A 7 -21.072 6.354 18.236 1.00 73.14 H new ATOM 0 HG1 THR A 7 -21.953 8.509 18.521 1.00 35.21 H new ATOM 0 HG21 THR A 7 -22.303 6.942 20.292 1.00 62.33 H new ATOM 0 HG22 THR A 7 -20.991 5.785 20.619 1.00 62.33 H new ATOM 0 HG23 THR A 7 -20.787 7.504 21.034 1.00 62.33 H new ATOM 84 N PHE A 8 -18.614 4.559 18.498 1.00 4.43 N ATOM 85 CA PHE A 8 -18.265 3.403 17.679 1.00 54.55 C ATOM 86 C PHE A 8 -19.519 2.705 17.161 1.00 15.24 C ATOM 87 O PHE A 8 -20.473 2.485 17.906 1.00 52.25 O ATOM 88 CB PHE A 8 -17.415 2.420 18.486 1.00 12.25 C ATOM 89 CG PHE A 8 -17.019 1.194 17.711 1.00 45.03 C ATOM 90 CD1 PHE A 8 -16.234 1.301 16.574 1.00 64.42 C ATOM 91 CD2 PHE A 8 -17.433 -0.064 18.120 1.00 51.24 C ATOM 92 CE1 PHE A 8 -15.871 0.175 15.859 1.00 72.11 C ATOM 93 CE2 PHE A 8 -17.072 -1.192 17.410 1.00 14.42 C ATOM 94 CZ PHE A 8 -16.289 -1.073 16.279 1.00 14.30 C ATOM 0 H PHE A 8 -18.743 4.351 19.488 1.00 4.43 H new ATOM 0 HA PHE A 8 -17.688 3.754 16.824 1.00 54.55 H new ATOM 0 HB2 PHE A 8 -16.515 2.929 18.831 1.00 12.25 H new ATOM 0 HB3 PHE A 8 -17.970 2.116 19.374 1.00 12.25 H new ATOM 0 HD1 PHE A 8 -15.902 2.274 16.243 1.00 64.42 H new ATOM 0 HD2 PHE A 8 -18.045 -0.163 19.004 1.00 51.24 H new ATOM 0 HE1 PHE A 8 -15.261 0.271 14.973 1.00 72.11 H new ATOM 0 HE2 PHE A 8 -17.402 -2.166 17.739 1.00 14.42 H new ATOM 0 HZ PHE A 8 -16.004 -1.954 15.724 1.00 14.30 H new ATOM 104 N ALA A 9 -19.508 2.358 15.878 1.00 54.02 N ATOM 105 CA ALA A 9 -20.642 1.684 15.259 1.00 35.51 C ATOM 106 C ALA A 9 -20.176 0.595 14.299 1.00 12.33 C ATOM 107 O ALA A 9 -19.124 0.715 13.670 1.00 25.11 O ATOM 108 CB ALA A 9 -21.522 2.689 14.534 1.00 22.53 C ATOM 0 H ALA A 9 -18.726 2.533 15.247 1.00 54.02 H new ATOM 0 HA ALA A 9 -21.226 1.210 16.048 1.00 35.51 H new ATOM 0 HB1 ALA A 9 -22.365 2.171 14.077 1.00 22.53 H new ATOM 0 HB2 ALA A 9 -21.892 3.428 15.245 1.00 22.53 H new ATOM 0 HB3 ALA A 9 -20.941 3.190 13.760 1.00 22.53 H new ATOM 114 N LYS A 10 -20.964 -0.469 14.190 1.00 22.41 N ATOM 115 CA LYS A 10 -20.634 -1.580 13.306 1.00 52.30 C ATOM 116 C LYS A 10 -21.256 -1.382 11.928 1.00 20.04 C ATOM 117 O LYS A 10 -22.390 -0.918 11.807 1.00 30.53 O ATOM 118 CB LYS A 10 -21.116 -2.902 13.910 1.00 43.52 C ATOM 119 CG LYS A 10 -20.117 -4.036 13.766 1.00 1.14 C ATOM 120 CD LYS A 10 -20.300 -4.776 12.451 1.00 14.33 C ATOM 121 CE LYS A 10 -19.043 -5.540 12.063 1.00 2.34 C ATOM 122 NZ LYS A 10 -18.803 -6.705 12.958 1.00 72.34 N ATOM 0 H LYS A 10 -21.837 -0.585 14.704 1.00 22.41 H new ATOM 0 HA LYS A 10 -19.550 -1.613 13.195 1.00 52.30 H new ATOM 0 HB2 LYS A 10 -21.332 -2.751 14.968 1.00 43.52 H new ATOM 0 HB3 LYS A 10 -22.052 -3.191 13.432 1.00 43.52 H new ATOM 0 HG2 LYS A 10 -19.104 -3.639 13.823 1.00 1.14 H new ATOM 0 HG3 LYS A 10 -20.234 -4.733 14.596 1.00 1.14 H new ATOM 0 HD2 LYS A 10 -21.137 -5.469 12.535 1.00 14.33 H new ATOM 0 HD3 LYS A 10 -20.553 -4.065 11.664 1.00 14.33 H new ATOM 0 HE2 LYS A 10 -19.132 -5.886 11.033 1.00 2.34 H new ATOM 0 HE3 LYS A 10 -18.184 -4.870 12.101 1.00 2.34 H new ATOM 0 HZ1 LYS A 10 -18.065 -7.312 12.547 1.00 72.34 H new ATOM 0 HZ2 LYS A 10 -18.493 -6.367 13.892 1.00 72.34 H new ATOM 0 HZ3 LYS A 10 -19.682 -7.250 13.061 1.00 72.34 H new ATOM 136 N THR A 11 -20.508 -1.738 10.888 1.00 14.12 N ATOM 137 CA THR A 11 -20.986 -1.600 9.518 1.00 74.44 C ATOM 138 C THR A 11 -21.497 -2.931 8.978 1.00 45.10 C ATOM 139 O THR A 11 -22.643 -3.034 8.540 1.00 13.13 O ATOM 140 CB THR A 11 -19.879 -1.071 8.587 1.00 73.23 C ATOM 141 OG1 THR A 11 -18.863 -0.416 9.355 1.00 34.52 O ATOM 142 CG2 THR A 11 -20.449 -0.103 7.563 1.00 4.33 C ATOM 0 H THR A 11 -19.568 -2.125 10.969 1.00 14.12 H new ATOM 0 HA THR A 11 -21.805 -0.881 9.540 1.00 74.44 H new ATOM 0 HB THR A 11 -19.444 -1.920 8.059 1.00 73.23 H new ATOM 0 HG1 THR A 11 -18.163 -0.084 8.755 1.00 34.52 H new ATOM 0 HG21 THR A 11 -19.648 0.257 6.917 1.00 4.33 H new ATOM 0 HG22 THR A 11 -21.200 -0.612 6.960 1.00 4.33 H new ATOM 0 HG23 THR A 11 -20.908 0.742 8.077 1.00 4.33 H new ATOM 150 N SER A 12 -20.640 -3.946 9.011 1.00 72.31 N ATOM 151 CA SER A 12 -21.005 -5.270 8.521 1.00 32.40 C ATOM 152 C SER A 12 -19.841 -6.245 8.674 1.00 61.30 C ATOM 153 O SER A 12 -18.676 -5.858 8.580 1.00 62.44 O ATOM 154 CB SER A 12 -21.432 -5.195 7.054 1.00 42.44 C ATOM 155 OG SER A 12 -22.742 -5.704 6.878 1.00 63.22 O ATOM 0 H SER A 12 -19.688 -3.877 9.372 1.00 72.31 H new ATOM 0 HA SER A 12 -21.842 -5.633 9.117 1.00 32.40 H new ATOM 0 HB2 SER A 12 -21.391 -4.161 6.713 1.00 42.44 H new ATOM 0 HB3 SER A 12 -20.733 -5.761 6.439 1.00 42.44 H new ATOM 0 HG SER A 12 -22.992 -5.643 5.932 1.00 63.22 H new ATOM 161 N ASP A 13 -20.166 -7.511 8.909 1.00 23.12 N ATOM 162 CA ASP A 13 -19.149 -8.543 9.075 1.00 12.34 C ATOM 163 C ASP A 13 -19.274 -9.608 7.989 1.00 1.04 C ATOM 164 O ASP A 13 -20.346 -10.180 7.787 1.00 70.32 O ATOM 165 CB ASP A 13 -19.267 -9.190 10.456 1.00 53.23 C ATOM 166 CG ASP A 13 -20.706 -9.320 10.913 1.00 64.22 C ATOM 167 OD1 ASP A 13 -21.233 -8.352 11.502 1.00 0.10 O ATOM 168 OD2 ASP A 13 -21.308 -10.389 10.682 1.00 33.15 O ATOM 0 H ASP A 13 -21.126 -7.848 8.989 1.00 23.12 H new ATOM 0 HA ASP A 13 -18.171 -8.071 8.987 1.00 12.34 H new ATOM 0 HB2 ASP A 13 -18.806 -10.177 10.432 1.00 53.23 H new ATOM 0 HB3 ASP A 13 -18.711 -8.596 11.181 1.00 53.23 H new ATOM 173 N TRP A 14 -18.174 -9.868 7.293 1.00 41.20 N ATOM 174 CA TRP A 14 -18.161 -10.864 6.227 1.00 45.43 C ATOM 175 C TRP A 14 -17.313 -12.069 6.617 1.00 62.01 C ATOM 176 O TRP A 14 -16.125 -12.132 6.303 1.00 23.14 O ATOM 177 CB TRP A 14 -17.628 -10.248 4.932 1.00 41.34 C ATOM 178 CG TRP A 14 -16.360 -9.470 5.122 1.00 25.12 C ATOM 179 CD1 TRP A 14 -15.091 -9.895 4.857 1.00 1.25 C ATOM 180 CD2 TRP A 14 -16.243 -8.132 5.621 1.00 14.54 C ATOM 181 NE1 TRP A 14 -14.189 -8.903 5.159 1.00 64.31 N ATOM 182 CE2 TRP A 14 -14.872 -7.812 5.629 1.00 54.52 C ATOM 183 CE3 TRP A 14 -17.161 -7.176 6.058 1.00 44.53 C ATOM 184 CZ2 TRP A 14 -14.399 -6.575 6.060 1.00 43.53 C ATOM 185 CZ3 TRP A 14 -16.691 -5.948 6.484 1.00 62.35 C ATOM 186 CH2 TRP A 14 -15.321 -5.655 6.482 1.00 34.43 C ATOM 0 H TRP A 14 -17.279 -9.403 7.447 1.00 41.20 H new ATOM 0 HA TRP A 14 -19.185 -11.201 6.067 1.00 45.43 H new ATOM 0 HB2 TRP A 14 -17.454 -11.042 4.205 1.00 41.34 H new ATOM 0 HB3 TRP A 14 -18.389 -9.591 4.510 1.00 41.34 H new ATOM 0 HD1 TRP A 14 -14.833 -10.869 4.467 1.00 1.25 H new ATOM 0 HE1 TRP A 14 -13.177 -8.968 5.051 1.00 64.31 H new ATOM 0 HE3 TRP A 14 -18.219 -7.392 6.063 1.00 44.53 H new ATOM 0 HZ2 TRP A 14 -13.343 -6.350 6.061 1.00 43.53 H new ATOM 0 HZ3 TRP A 14 -17.393 -5.201 6.825 1.00 62.35 H new ATOM 0 HH2 TRP A 14 -14.986 -4.685 6.820 1.00 34.43 H new ATOM 197 N GLY A 15 -17.931 -13.024 7.306 1.00 2.42 N ATOM 198 CA GLY A 15 -17.217 -14.215 7.727 1.00 12.40 C ATOM 199 C GLY A 15 -16.286 -13.949 8.894 1.00 14.41 C ATOM 200 O GLY A 15 -16.639 -14.191 10.049 1.00 10.12 O ATOM 0 H GLY A 15 -18.913 -12.994 7.580 1.00 2.42 H new ATOM 0 HA2 GLY A 15 -17.935 -14.986 8.007 1.00 12.40 H new ATOM 0 HA3 GLY A 15 -16.641 -14.606 6.888 1.00 12.40 H new ATOM 204 N THR A 16 -15.090 -13.452 8.593 1.00 72.03 N ATOM 205 CA THR A 16 -14.104 -13.156 9.625 1.00 71.30 C ATOM 206 C THR A 16 -13.803 -11.663 9.686 1.00 14.11 C ATOM 207 O THR A 16 -13.261 -11.168 10.674 1.00 22.45 O ATOM 208 CB THR A 16 -12.791 -13.924 9.384 1.00 41.01 C ATOM 209 OG1 THR A 16 -11.847 -13.616 10.416 1.00 73.42 O ATOM 210 CG2 THR A 16 -12.199 -13.572 8.028 1.00 21.00 C ATOM 0 H THR A 16 -14.781 -13.246 7.643 1.00 72.03 H new ATOM 0 HA THR A 16 -14.534 -13.476 10.574 1.00 71.30 H new ATOM 0 HB THR A 16 -13.012 -14.991 9.400 1.00 41.01 H new ATOM 0 HG1 THR A 16 -12.101 -12.775 10.851 1.00 73.42 H new ATOM 0 HG21 THR A 16 -11.272 -14.127 7.881 1.00 21.00 H new ATOM 0 HG22 THR A 16 -12.908 -13.834 7.242 1.00 21.00 H new ATOM 0 HG23 THR A 16 -11.992 -12.503 7.988 1.00 21.00 H new ATOM 218 N GLY A 17 -14.158 -10.949 8.622 1.00 53.44 N ATOM 219 CA GLY A 17 -13.918 -9.518 8.576 1.00 55.44 C ATOM 220 C GLY A 17 -15.030 -8.722 9.230 1.00 12.44 C ATOM 221 O GLY A 17 -16.117 -9.245 9.473 1.00 33.30 O ATOM 0 H GLY A 17 -14.607 -11.335 7.792 1.00 53.44 H new ATOM 0 HA2 GLY A 17 -12.974 -9.295 9.074 1.00 55.44 H new ATOM 0 HA3 GLY A 17 -13.813 -9.204 7.538 1.00 55.44 H new ATOM 225 N PHE A 18 -14.757 -7.453 9.516 1.00 73.23 N ATOM 226 CA PHE A 18 -15.742 -6.583 10.149 1.00 24.44 C ATOM 227 C PHE A 18 -15.616 -5.154 9.633 1.00 4.21 C ATOM 228 O PHE A 18 -14.568 -4.754 9.127 1.00 25.44 O ATOM 229 CB PHE A 18 -15.572 -6.606 11.670 1.00 33.53 C ATOM 230 CG PHE A 18 -14.453 -5.733 12.161 1.00 3.54 C ATOM 231 CD1 PHE A 18 -14.684 -4.406 12.486 1.00 3.35 C ATOM 232 CD2 PHE A 18 -13.171 -6.239 12.298 1.00 53.10 C ATOM 233 CE1 PHE A 18 -13.655 -3.600 12.936 1.00 65.42 C ATOM 234 CE2 PHE A 18 -12.139 -5.438 12.750 1.00 15.34 C ATOM 235 CZ PHE A 18 -12.382 -4.117 13.070 1.00 12.14 C ATOM 0 H PHE A 18 -13.862 -7.004 9.320 1.00 73.23 H new ATOM 0 HA PHE A 18 -16.735 -6.955 9.896 1.00 24.44 H new ATOM 0 HB2 PHE A 18 -16.504 -6.286 12.137 1.00 33.53 H new ATOM 0 HB3 PHE A 18 -15.390 -7.631 11.992 1.00 33.53 H new ATOM 0 HD1 PHE A 18 -15.679 -3.997 12.387 1.00 3.35 H new ATOM 0 HD2 PHE A 18 -12.975 -7.271 12.049 1.00 53.10 H new ATOM 0 HE1 PHE A 18 -13.847 -2.566 13.183 1.00 65.42 H new ATOM 0 HE2 PHE A 18 -11.144 -5.845 12.853 1.00 15.34 H new ATOM 0 HZ PHE A 18 -11.578 -3.489 13.424 1.00 12.14 H new ATOM 245 N GLY A 19 -16.694 -4.386 9.765 1.00 62.12 N ATOM 246 CA GLY A 19 -16.686 -3.009 9.307 1.00 55.12 C ATOM 247 C GLY A 19 -16.845 -2.019 10.443 1.00 51.31 C ATOM 248 O GLY A 19 -17.759 -2.139 11.257 1.00 42.41 O ATOM 0 H GLY A 19 -17.573 -4.694 10.181 1.00 62.12 H new ATOM 0 HA2 GLY A 19 -15.751 -2.809 8.783 1.00 55.12 H new ATOM 0 HA3 GLY A 19 -17.492 -2.864 8.587 1.00 55.12 H new ATOM 252 N GLY A 20 -15.950 -1.037 10.501 1.00 1.21 N ATOM 253 CA GLY A 20 -16.012 -0.037 11.551 1.00 33.41 C ATOM 254 C GLY A 20 -16.611 1.271 11.072 1.00 72.22 C ATOM 255 O GLY A 20 -16.466 1.637 9.906 1.00 62.21 O ATOM 0 H GLY A 20 -15.183 -0.916 9.839 1.00 1.21 H new ATOM 0 HA2 GLY A 20 -16.605 -0.422 12.381 1.00 33.41 H new ATOM 0 HA3 GLY A 20 -15.008 0.146 11.934 1.00 33.41 H new ATOM 259 N SER A 21 -17.286 1.975 11.973 1.00 64.44 N ATOM 260 CA SER A 21 -17.915 3.247 11.636 1.00 54.32 C ATOM 261 C SER A 21 -17.839 4.220 12.808 1.00 73.53 C ATOM 262 O SER A 21 -18.673 4.184 13.713 1.00 63.33 O ATOM 263 CB SER A 21 -19.374 3.029 11.233 1.00 11.11 C ATOM 264 OG SER A 21 -19.502 2.897 9.828 1.00 72.23 O ATOM 0 H SER A 21 -17.412 1.687 12.943 1.00 64.44 H new ATOM 0 HA SER A 21 -17.374 3.678 10.794 1.00 54.32 H new ATOM 0 HB2 SER A 21 -19.759 2.134 11.722 1.00 11.11 H new ATOM 0 HB3 SER A 21 -19.979 3.867 11.579 1.00 11.11 H new ATOM 0 HG SER A 21 -20.444 2.757 9.597 1.00 72.23 H new ATOM 270 N TRP A 22 -16.833 5.087 12.786 1.00 74.42 N ATOM 271 CA TRP A 22 -16.647 6.069 13.848 1.00 51.22 C ATOM 272 C TRP A 22 -17.396 7.360 13.533 1.00 3.55 C ATOM 273 O TRP A 22 -17.118 8.022 12.533 1.00 12.42 O ATOM 274 CB TRP A 22 -15.159 6.364 14.044 1.00 14.44 C ATOM 275 CG TRP A 22 -14.375 5.175 14.511 1.00 74.12 C ATOM 276 CD1 TRP A 22 -13.629 4.331 13.739 1.00 31.03 C ATOM 277 CD2 TRP A 22 -14.262 4.698 15.856 1.00 34.50 C ATOM 278 NE1 TRP A 22 -13.058 3.357 14.523 1.00 65.15 N ATOM 279 CE2 TRP A 22 -13.430 3.561 15.826 1.00 4.12 C ATOM 280 CE3 TRP A 22 -14.779 5.121 17.083 1.00 10.31 C ATOM 281 CZ2 TRP A 22 -13.107 2.844 16.975 1.00 64.44 C ATOM 282 CZ3 TRP A 22 -14.458 4.409 18.222 1.00 60.54 C ATOM 283 CH2 TRP A 22 -13.629 3.281 18.163 1.00 74.13 C ATOM 0 H TRP A 22 -16.134 5.130 12.045 1.00 74.42 H new ATOM 0 HA TRP A 22 -17.052 5.651 14.770 1.00 51.22 H new ATOM 0 HB2 TRP A 22 -14.739 6.720 13.103 1.00 14.44 H new ATOM 0 HB3 TRP A 22 -15.048 7.171 14.768 1.00 14.44 H new ATOM 0 HD1 TRP A 22 -13.506 4.416 12.669 1.00 31.03 H new ATOM 0 HE1 TRP A 22 -12.455 2.605 14.189 1.00 65.15 H new ATOM 0 HE3 TRP A 22 -15.418 5.990 17.140 1.00 10.31 H new ATOM 0 HZ2 TRP A 22 -12.468 1.975 16.931 1.00 64.44 H new ATOM 0 HZ3 TRP A 22 -14.853 4.727 19.175 1.00 60.54 H new ATOM 0 HH2 TRP A 22 -13.397 2.746 19.072 1.00 74.13 H new ATOM 294 N THR A 23 -18.347 7.712 14.392 1.00 30.24 N ATOM 295 CA THR A 23 -19.137 8.923 14.204 1.00 54.12 C ATOM 296 C THR A 23 -18.530 10.098 14.962 1.00 33.41 C ATOM 297 O THR A 23 -18.689 10.214 16.177 1.00 32.31 O ATOM 298 CB THR A 23 -20.591 8.722 14.668 1.00 41.23 C ATOM 299 OG1 THR A 23 -20.929 7.331 14.634 1.00 25.00 O ATOM 300 CG2 THR A 23 -21.553 9.505 13.786 1.00 63.23 C ATOM 0 H THR A 23 -18.589 7.176 15.225 1.00 30.24 H new ATOM 0 HA THR A 23 -19.132 9.142 13.136 1.00 54.12 H new ATOM 0 HB THR A 23 -20.677 9.091 15.690 1.00 41.23 H new ATOM 0 HG1 THR A 23 -21.855 7.212 14.932 1.00 25.00 H new ATOM 0 HG21 THR A 23 -22.574 9.348 14.133 1.00 63.23 H new ATOM 0 HG22 THR A 23 -21.312 10.567 13.837 1.00 63.23 H new ATOM 0 HG23 THR A 23 -21.463 9.162 12.755 1.00 63.23 H new ATOM 308 N VAL A 24 -17.835 10.969 14.238 1.00 14.10 N ATOM 309 CA VAL A 24 -17.206 12.136 14.842 1.00 73.03 C ATOM 310 C VAL A 24 -18.162 13.323 14.871 1.00 22.11 C ATOM 311 O VAL A 24 -18.792 13.651 13.865 1.00 45.01 O ATOM 312 CB VAL A 24 -15.926 12.540 14.085 1.00 42.20 C ATOM 313 CG1 VAL A 24 -15.179 13.628 14.841 1.00 54.33 C ATOM 314 CG2 VAL A 24 -15.036 11.327 13.860 1.00 52.01 C ATOM 0 H VAL A 24 -17.693 10.888 13.231 1.00 14.10 H new ATOM 0 HA VAL A 24 -16.943 11.860 15.863 1.00 73.03 H new ATOM 0 HB VAL A 24 -16.211 12.939 13.111 1.00 42.20 H new ATOM 0 HG11 VAL A 24 -14.278 13.900 14.291 1.00 54.33 H new ATOM 0 HG12 VAL A 24 -15.819 14.504 14.945 1.00 54.33 H new ATOM 0 HG13 VAL A 24 -14.904 13.261 15.830 1.00 54.33 H new ATOM 0 HG21 VAL A 24 -14.137 11.630 13.324 1.00 52.01 H new ATOM 0 HG22 VAL A 24 -14.758 10.897 14.822 1.00 52.01 H new ATOM 0 HG23 VAL A 24 -15.575 10.584 13.272 1.00 52.01 H new ATOM 324 N LYS A 25 -18.266 13.965 16.029 1.00 21.32 N ATOM 325 CA LYS A 25 -19.144 15.117 16.191 1.00 5.20 C ATOM 326 C LYS A 25 -18.425 16.254 16.909 1.00 71.31 C ATOM 327 O LYS A 25 -18.008 16.109 18.058 1.00 40.42 O ATOM 328 CB LYS A 25 -20.401 14.722 16.969 1.00 74.25 C ATOM 329 CG LYS A 25 -21.328 15.889 17.261 1.00 3.55 C ATOM 330 CD LYS A 25 -22.788 15.472 17.191 1.00 42.55 C ATOM 331 CE LYS A 25 -23.255 14.858 18.502 1.00 0.23 C ATOM 332 NZ LYS A 25 -24.265 13.786 18.283 1.00 4.32 N ATOM 0 H LYS A 25 -17.752 13.706 16.871 1.00 21.32 H new ATOM 0 HA LYS A 25 -19.433 15.463 15.199 1.00 5.20 H new ATOM 0 HB2 LYS A 25 -20.947 13.968 16.402 1.00 74.25 H new ATOM 0 HB3 LYS A 25 -20.105 14.260 17.911 1.00 74.25 H new ATOM 0 HG2 LYS A 25 -21.110 16.289 18.251 1.00 3.55 H new ATOM 0 HG3 LYS A 25 -21.143 16.690 16.545 1.00 3.55 H new ATOM 0 HD2 LYS A 25 -23.404 16.339 16.954 1.00 42.55 H new ATOM 0 HD3 LYS A 25 -22.924 14.754 16.383 1.00 42.55 H new ATOM 0 HE2 LYS A 25 -22.398 14.446 19.036 1.00 0.23 H new ATOM 0 HE3 LYS A 25 -23.682 15.635 19.136 1.00 0.23 H new ATOM 0 HZ1 LYS A 25 -24.558 13.393 19.200 1.00 4.32 H new ATOM 0 HZ2 LYS A 25 -25.093 14.184 17.796 1.00 4.32 H new ATOM 0 HZ3 LYS A 25 -23.850 13.032 17.700 1.00 4.32 H new ATOM 346 N ASN A 26 -18.283 17.385 16.225 1.00 74.43 N ATOM 347 CA ASN A 26 -17.615 18.547 16.799 1.00 74.33 C ATOM 348 C ASN A 26 -18.570 19.733 16.896 1.00 35.41 C ATOM 349 O ASN A 26 -18.834 20.413 15.905 1.00 45.32 O ATOM 350 CB ASN A 26 -16.395 18.927 15.958 1.00 52.25 C ATOM 351 CG ASN A 26 -15.248 17.948 16.125 1.00 65.04 C ATOM 352 OD1 ASN A 26 -14.766 17.724 17.236 1.00 11.50 O ATOM 353 ND2 ASN A 26 -14.807 17.361 15.019 1.00 62.20 N ATOM 0 H ASN A 26 -18.622 17.521 15.273 1.00 74.43 H new ATOM 0 HA ASN A 26 -17.287 18.285 17.805 1.00 74.33 H new ATOM 0 HB2 ASN A 26 -16.681 18.971 14.907 1.00 52.25 H new ATOM 0 HB3 ASN A 26 -16.060 19.926 16.239 1.00 52.25 H new ATOM 0 HD21 ASN A 26 -14.038 16.693 15.068 1.00 62.20 H new ATOM 0 HD22 ASN A 26 -15.238 17.578 14.120 1.00 62.20 H new ATOM 360 N THR A 27 -19.085 19.974 18.098 1.00 2.54 N ATOM 361 CA THR A 27 -20.011 21.076 18.324 1.00 45.21 C ATOM 362 C THR A 27 -19.789 21.708 19.693 1.00 42.45 C ATOM 363 O THR A 27 -19.427 21.028 20.651 1.00 21.32 O ATOM 364 CB THR A 27 -21.476 20.610 18.218 1.00 62.40 C ATOM 365 OG1 THR A 27 -22.359 21.704 18.492 1.00 21.24 O ATOM 366 CG2 THR A 27 -21.753 19.472 19.191 1.00 11.51 C ATOM 0 H THR A 27 -18.876 19.421 18.929 1.00 2.54 H new ATOM 0 HA THR A 27 -19.816 21.817 17.548 1.00 45.21 H new ATOM 0 HB THR A 27 -21.648 20.250 17.204 1.00 62.40 H new ATOM 0 HG1 THR A 27 -23.288 21.400 18.421 1.00 21.24 H new ATOM 0 HG21 THR A 27 -22.793 19.159 19.099 1.00 11.51 H new ATOM 0 HG22 THR A 27 -21.099 18.630 18.962 1.00 11.51 H new ATOM 0 HG23 THR A 27 -21.565 19.811 20.210 1.00 11.51 H new ATOM 374 N GLY A 28 -20.009 23.017 19.777 1.00 40.14 N ATOM 375 CA GLY A 28 -19.827 23.721 21.033 1.00 72.25 C ATOM 376 C GLY A 28 -18.617 24.634 21.018 1.00 75.50 C ATOM 377 O GLY A 28 -18.749 25.855 21.108 1.00 31.20 O ATOM 0 H GLY A 28 -20.310 23.602 18.998 1.00 40.14 H new ATOM 0 HA2 GLY A 28 -20.719 24.309 21.248 1.00 72.25 H new ATOM 0 HA3 GLY A 28 -19.721 22.996 21.840 1.00 72.25 H new ATOM 381 N THR A 29 -17.433 24.041 20.905 1.00 14.44 N ATOM 382 CA THR A 29 -16.193 24.808 20.881 1.00 2.32 C ATOM 383 C THR A 29 -16.158 25.758 19.689 1.00 65.23 C ATOM 384 O THR A 29 -16.976 25.656 18.775 1.00 62.53 O ATOM 385 CB THR A 29 -14.962 23.884 20.822 1.00 60.11 C ATOM 386 OG1 THR A 29 -15.127 22.913 19.783 1.00 11.21 O ATOM 387 CG2 THR A 29 -14.750 23.179 22.154 1.00 43.52 C ATOM 0 H THR A 29 -17.306 23.032 20.829 1.00 14.44 H new ATOM 0 HA THR A 29 -16.161 25.386 21.805 1.00 2.32 H new ATOM 0 HB THR A 29 -14.086 24.496 20.610 1.00 60.11 H new ATOM 0 HG1 THR A 29 -14.339 22.331 19.751 1.00 11.21 H new ATOM 0 HG21 THR A 29 -13.875 22.532 22.088 1.00 43.52 H new ATOM 0 HG22 THR A 29 -14.595 23.921 22.938 1.00 43.52 H new ATOM 0 HG23 THR A 29 -15.628 22.579 22.392 1.00 43.52 H new ATOM 395 N THR A 30 -15.204 26.684 19.705 1.00 45.34 N ATOM 396 CA THR A 30 -15.063 27.654 18.627 1.00 42.42 C ATOM 397 C THR A 30 -14.813 26.960 17.293 1.00 53.52 C ATOM 398 O THR A 30 -14.887 25.736 17.196 1.00 32.23 O ATOM 399 CB THR A 30 -13.912 28.640 18.904 1.00 2.10 C ATOM 400 OG1 THR A 30 -13.404 28.440 20.228 1.00 60.25 O ATOM 401 CG2 THR A 30 -14.382 30.078 18.748 1.00 12.53 C ATOM 0 H THR A 30 -14.518 26.782 20.453 1.00 45.34 H new ATOM 0 HA THR A 30 -16.000 28.208 18.576 1.00 42.42 H new ATOM 0 HB THR A 30 -13.120 28.453 18.179 1.00 2.10 H new ATOM 0 HG1 THR A 30 -12.672 29.069 20.396 1.00 60.25 H new ATOM 0 HG21 THR A 30 -13.552 30.756 18.948 1.00 12.53 H new ATOM 0 HG22 THR A 30 -14.741 30.235 17.731 1.00 12.53 H new ATOM 0 HG23 THR A 30 -15.190 30.275 19.453 1.00 12.53 H new ATOM 409 N SER A 31 -14.515 27.751 16.266 1.00 24.51 N ATOM 410 CA SER A 31 -14.256 27.212 14.937 1.00 25.02 C ATOM 411 C SER A 31 -13.212 26.102 14.994 1.00 24.32 C ATOM 412 O SER A 31 -12.099 26.305 15.478 1.00 55.12 O ATOM 413 CB SER A 31 -13.786 28.323 13.996 1.00 53.42 C ATOM 414 OG SER A 31 -14.882 29.072 13.500 1.00 32.42 O ATOM 0 H SER A 31 -14.447 28.767 16.330 1.00 24.51 H new ATOM 0 HA SER A 31 -15.186 26.791 14.555 1.00 25.02 H new ATOM 0 HB2 SER A 31 -13.099 28.984 14.524 1.00 53.42 H new ATOM 0 HB3 SER A 31 -13.233 27.888 13.164 1.00 53.42 H new ATOM 0 HG SER A 31 -14.553 29.776 12.903 1.00 32.42 H new ATOM 420 N LEU A 32 -13.581 24.926 14.497 1.00 52.20 N ATOM 421 CA LEU A 32 -12.676 23.781 14.491 1.00 61.31 C ATOM 422 C LEU A 32 -11.769 23.809 13.265 1.00 25.20 C ATOM 423 O LEU A 32 -11.808 24.752 12.474 1.00 74.21 O ATOM 424 CB LEU A 32 -13.474 22.476 14.520 1.00 52.42 C ATOM 425 CG LEU A 32 -13.010 21.428 15.532 1.00 50.13 C ATOM 426 CD1 LEU A 32 -13.753 21.593 16.850 1.00 2.23 C ATOM 427 CD2 LEU A 32 -13.210 20.025 14.978 1.00 50.11 C ATOM 0 H LEU A 32 -14.499 24.740 14.093 1.00 52.20 H new ATOM 0 HA LEU A 32 -12.051 23.838 15.382 1.00 61.31 H new ATOM 0 HB2 LEU A 32 -14.517 22.716 14.728 1.00 52.42 H new ATOM 0 HB3 LEU A 32 -13.441 22.031 13.525 1.00 52.42 H new ATOM 0 HG LEU A 32 -11.946 21.576 15.716 1.00 50.13 H new ATOM 0 HD11 LEU A 32 -13.410 20.839 17.558 1.00 2.23 H new ATOM 0 HD12 LEU A 32 -13.559 22.586 17.255 1.00 2.23 H new ATOM 0 HD13 LEU A 32 -14.823 21.473 16.682 1.00 2.23 H new ATOM 0 HD21 LEU A 32 -12.874 19.293 15.712 1.00 50.11 H new ATOM 0 HD22 LEU A 32 -14.267 19.866 14.764 1.00 50.11 H new ATOM 0 HD23 LEU A 32 -12.633 19.910 14.061 1.00 50.11 H new ATOM 439 N SER A 33 -10.957 22.768 13.112 1.00 11.20 N ATOM 440 CA SER A 33 -10.040 22.674 11.982 1.00 63.04 C ATOM 441 C SER A 33 -9.942 21.237 11.481 1.00 54.12 C ATOM 442 O SER A 33 -10.117 20.969 10.292 1.00 35.25 O ATOM 443 CB SER A 33 -8.653 23.184 12.380 1.00 23.24 C ATOM 444 OG SER A 33 -8.440 23.046 13.774 1.00 72.53 O ATOM 0 H SER A 33 -10.915 21.978 13.756 1.00 11.20 H new ATOM 0 HA SER A 33 -10.430 23.295 11.176 1.00 63.04 H new ATOM 0 HB2 SER A 33 -7.888 22.630 11.835 1.00 23.24 H new ATOM 0 HB3 SER A 33 -8.552 24.231 12.095 1.00 23.24 H new ATOM 0 HG SER A 33 -7.546 23.377 14.003 1.00 72.53 H new ATOM 450 N SER A 34 -9.658 20.315 12.396 1.00 63.33 N ATOM 451 CA SER A 34 -9.533 18.905 12.048 1.00 75.03 C ATOM 452 C SER A 34 -9.843 18.019 13.250 1.00 70.23 C ATOM 453 O SER A 34 -10.052 18.509 14.359 1.00 42.34 O ATOM 454 CB SER A 34 -8.123 18.610 11.533 1.00 54.11 C ATOM 455 OG SER A 34 -7.319 18.034 12.549 1.00 21.53 O ATOM 0 H SER A 34 -9.510 20.520 13.384 1.00 63.33 H new ATOM 0 HA SER A 34 -10.254 18.684 11.261 1.00 75.03 H new ATOM 0 HB2 SER A 34 -8.178 17.933 10.681 1.00 54.11 H new ATOM 0 HB3 SER A 34 -7.662 19.532 11.179 1.00 54.11 H new ATOM 0 HG SER A 34 -6.423 17.853 12.194 1.00 21.53 H new ATOM 461 N TRP A 35 -9.872 16.710 13.021 1.00 45.51 N ATOM 462 CA TRP A 35 -10.158 15.755 14.084 1.00 32.10 C ATOM 463 C TRP A 35 -9.279 14.516 13.953 1.00 52.14 C ATOM 464 O TRP A 35 -9.223 13.890 12.895 1.00 33.15 O ATOM 465 CB TRP A 35 -11.634 15.353 14.054 1.00 41.41 C ATOM 466 CG TRP A 35 -12.138 15.048 12.677 1.00 2.35 C ATOM 467 CD1 TRP A 35 -12.669 15.934 11.783 1.00 34.52 C ATOM 468 CD2 TRP A 35 -12.160 13.767 12.036 1.00 21.14 C ATOM 469 NE1 TRP A 35 -13.020 15.280 10.626 1.00 45.42 N ATOM 470 CE2 TRP A 35 -12.718 13.950 10.756 1.00 42.54 C ATOM 471 CE3 TRP A 35 -11.762 12.483 12.419 1.00 51.31 C ATOM 472 CZ2 TRP A 35 -12.886 12.899 9.859 1.00 70.24 C ATOM 473 CZ3 TRP A 35 -11.930 11.440 11.529 1.00 2.44 C ATOM 474 CH2 TRP A 35 -12.487 11.653 10.261 1.00 45.22 C ATOM 0 H TRP A 35 -9.701 16.287 12.109 1.00 45.51 H new ATOM 0 HA TRP A 35 -9.939 16.235 15.038 1.00 32.10 H new ATOM 0 HB2 TRP A 35 -11.778 14.478 14.688 1.00 41.41 H new ATOM 0 HB3 TRP A 35 -12.231 16.158 14.482 1.00 41.41 H new ATOM 0 HD1 TRP A 35 -12.795 16.992 11.959 1.00 34.52 H new ATOM 0 HE1 TRP A 35 -13.438 15.715 9.803 1.00 45.42 H new ATOM 0 HE3 TRP A 35 -11.331 12.309 13.394 1.00 51.31 H new ATOM 0 HZ2 TRP A 35 -13.316 13.061 8.881 1.00 70.24 H new ATOM 0 HZ3 TRP A 35 -11.627 10.444 11.815 1.00 2.44 H new ATOM 0 HH2 TRP A 35 -12.604 10.817 9.587 1.00 45.22 H new ATOM 485 N THR A 36 -8.591 14.167 15.037 1.00 23.04 N ATOM 486 CA THR A 36 -7.713 13.003 15.042 1.00 51.32 C ATOM 487 C THR A 36 -8.225 11.932 15.998 1.00 25.22 C ATOM 488 O THR A 36 -8.099 12.061 17.216 1.00 22.02 O ATOM 489 CB THR A 36 -6.276 13.387 15.441 1.00 35.34 C ATOM 490 OG1 THR A 36 -5.869 14.565 14.736 1.00 33.14 O ATOM 491 CG2 THR A 36 -5.309 12.251 15.140 1.00 20.32 C ATOM 0 H THR A 36 -8.625 14.674 15.922 1.00 23.04 H new ATOM 0 HA THR A 36 -7.707 12.606 14.027 1.00 51.32 H new ATOM 0 HB THR A 36 -6.261 13.583 16.513 1.00 35.34 H new ATOM 0 HG1 THR A 36 -4.955 14.803 14.997 1.00 33.14 H new ATOM 0 HG21 THR A 36 -4.300 12.545 15.430 1.00 20.32 H new ATOM 0 HG22 THR A 36 -5.604 11.364 15.701 1.00 20.32 H new ATOM 0 HG23 THR A 36 -5.329 12.029 14.073 1.00 20.32 H new ATOM 499 N VAL A 37 -8.804 10.874 15.438 1.00 11.40 N ATOM 500 CA VAL A 37 -9.334 9.778 16.241 1.00 64.14 C ATOM 501 C VAL A 37 -8.379 8.591 16.250 1.00 54.44 C ATOM 502 O VAL A 37 -8.150 7.958 15.220 1.00 12.42 O ATOM 503 CB VAL A 37 -10.708 9.315 15.720 1.00 73.43 C ATOM 504 CG1 VAL A 37 -10.641 9.018 14.230 1.00 32.31 C ATOM 505 CG2 VAL A 37 -11.186 8.095 16.495 1.00 14.42 C ATOM 0 H VAL A 37 -8.918 10.753 14.432 1.00 11.40 H new ATOM 0 HA VAL A 37 -9.447 10.156 17.257 1.00 64.14 H new ATOM 0 HB VAL A 37 -11.427 10.120 15.873 1.00 73.43 H new ATOM 0 HG11 VAL A 37 -11.620 8.692 13.880 1.00 32.31 H new ATOM 0 HG12 VAL A 37 -10.344 9.919 13.692 1.00 32.31 H new ATOM 0 HG13 VAL A 37 -9.910 8.230 14.049 1.00 32.31 H new ATOM 0 HG21 VAL A 37 -12.158 7.780 16.115 1.00 14.42 H new ATOM 0 HG22 VAL A 37 -10.469 7.283 16.374 1.00 14.42 H new ATOM 0 HG23 VAL A 37 -11.274 8.347 17.552 1.00 14.42 H new ATOM 515 N GLU A 38 -7.823 8.294 17.421 1.00 13.12 N ATOM 516 CA GLU A 38 -6.891 7.181 17.564 1.00 44.42 C ATOM 517 C GLU A 38 -7.222 6.349 18.798 1.00 20.41 C ATOM 518 O GLU A 38 -7.518 6.889 19.863 1.00 64.23 O ATOM 519 CB GLU A 38 -5.454 7.699 17.655 1.00 43.40 C ATOM 520 CG GLU A 38 -5.104 8.288 19.012 1.00 2.15 C ATOM 521 CD GLU A 38 -5.958 9.491 19.363 1.00 2.01 C ATOM 522 OE1 GLU A 38 -6.120 10.377 18.499 1.00 45.42 O ATOM 523 OE2 GLU A 38 -6.464 9.545 20.503 1.00 65.50 O ATOM 0 H GLU A 38 -8.002 8.808 18.284 1.00 13.12 H new ATOM 0 HA GLU A 38 -6.986 6.546 16.683 1.00 44.42 H new ATOM 0 HB2 GLU A 38 -4.767 6.881 17.435 1.00 43.40 H new ATOM 0 HB3 GLU A 38 -5.301 8.459 16.888 1.00 43.40 H new ATOM 0 HG2 GLU A 38 -5.227 7.523 19.779 1.00 2.15 H new ATOM 0 HG3 GLU A 38 -4.053 8.579 19.018 1.00 2.15 H new ATOM 530 N TRP A 39 -7.171 5.031 18.646 1.00 30.22 N ATOM 531 CA TRP A 39 -7.466 4.122 19.749 1.00 44.03 C ATOM 532 C TRP A 39 -6.408 3.030 19.853 1.00 32.32 C ATOM 533 O TRP A 39 -5.526 2.923 18.999 1.00 63.21 O ATOM 534 CB TRP A 39 -8.848 3.494 19.562 1.00 24.32 C ATOM 535 CG TRP A 39 -9.549 3.957 18.322 1.00 44.41 C ATOM 536 CD1 TRP A 39 -10.624 4.798 18.253 1.00 30.03 C ATOM 537 CD2 TRP A 39 -9.226 3.605 16.972 1.00 40.41 C ATOM 538 NE1 TRP A 39 -10.988 4.989 16.942 1.00 31.13 N ATOM 539 CE2 TRP A 39 -10.145 4.269 16.136 1.00 63.45 C ATOM 540 CE3 TRP A 39 -8.248 2.796 16.388 1.00 63.40 C ATOM 541 CZ2 TRP A 39 -10.115 4.146 14.750 1.00 12.12 C ATOM 542 CZ3 TRP A 39 -8.219 2.674 15.011 1.00 32.41 C ATOM 543 CH2 TRP A 39 -9.146 3.346 14.205 1.00 25.11 C ATOM 0 H TRP A 39 -6.928 4.567 17.771 1.00 30.22 H new ATOM 0 HA TRP A 39 -7.458 4.698 20.674 1.00 44.03 H new ATOM 0 HB2 TRP A 39 -8.745 2.409 19.528 1.00 24.32 H new ATOM 0 HB3 TRP A 39 -9.466 3.729 20.429 1.00 24.32 H new ATOM 0 HD1 TRP A 39 -11.115 5.247 19.104 1.00 30.03 H new ATOM 0 HE1 TRP A 39 -11.761 5.572 16.621 1.00 31.13 H new ATOM 0 HE3 TRP A 39 -7.527 2.275 17.001 1.00 63.40 H new ATOM 0 HZ2 TRP A 39 -10.830 4.663 14.127 1.00 12.12 H new ATOM 0 HZ3 TRP A 39 -7.468 2.050 14.549 1.00 32.41 H new ATOM 0 HH2 TRP A 39 -9.096 3.231 13.132 1.00 25.11 H new ATOM 554 N ASP A 40 -6.500 2.221 20.902 1.00 53.34 N ATOM 555 CA ASP A 40 -5.549 1.136 21.117 1.00 32.44 C ATOM 556 C ASP A 40 -6.119 -0.190 20.623 1.00 72.32 C ATOM 557 O ASP A 40 -7.251 -0.550 20.946 1.00 42.11 O ATOM 558 CB ASP A 40 -5.189 1.031 22.599 1.00 74.41 C ATOM 559 CG ASP A 40 -3.834 0.386 22.822 1.00 3.30 C ATOM 560 OD1 ASP A 40 -3.533 -0.612 22.136 1.00 14.32 O ATOM 561 OD2 ASP A 40 -3.077 0.881 23.682 1.00 42.53 O ATOM 0 H ASP A 40 -7.223 2.296 21.617 1.00 53.34 H new ATOM 0 HA ASP A 40 -4.646 1.358 20.548 1.00 32.44 H new ATOM 0 HB2 ASP A 40 -5.191 2.027 23.042 1.00 74.41 H new ATOM 0 HB3 ASP A 40 -5.954 0.451 23.115 1.00 74.41 H new ATOM 566 N PHE A 41 -5.327 -0.914 19.839 1.00 51.24 N ATOM 567 CA PHE A 41 -5.753 -2.200 19.299 1.00 51.34 C ATOM 568 C PHE A 41 -4.920 -3.337 19.882 1.00 51.01 C ATOM 569 O PHE A 41 -4.053 -3.908 19.220 1.00 22.34 O ATOM 570 CB PHE A 41 -5.639 -2.199 17.774 1.00 22.02 C ATOM 571 CG PHE A 41 -6.914 -1.815 17.077 1.00 70.45 C ATOM 572 CD1 PHE A 41 -7.793 -0.916 17.660 1.00 60.21 C ATOM 573 CD2 PHE A 41 -7.233 -2.353 15.841 1.00 21.55 C ATOM 574 CE1 PHE A 41 -8.967 -0.560 17.022 1.00 75.40 C ATOM 575 CE2 PHE A 41 -8.405 -2.001 15.198 1.00 32.30 C ATOM 576 CZ PHE A 41 -9.273 -1.105 15.790 1.00 63.23 C ATOM 0 H PHE A 41 -4.386 -0.632 19.563 1.00 51.24 H new ATOM 0 HA PHE A 41 -6.795 -2.356 19.578 1.00 51.34 H new ATOM 0 HB2 PHE A 41 -4.850 -1.508 17.477 1.00 22.02 H new ATOM 0 HB3 PHE A 41 -5.336 -3.191 17.440 1.00 22.02 H new ATOM 0 HD1 PHE A 41 -7.558 -0.489 18.624 1.00 60.21 H new ATOM 0 HD2 PHE A 41 -6.558 -3.055 15.374 1.00 21.55 H new ATOM 0 HE1 PHE A 41 -9.643 0.143 17.486 1.00 75.40 H new ATOM 0 HE2 PHE A 41 -8.641 -2.426 14.234 1.00 32.30 H new ATOM 0 HZ PHE A 41 -10.190 -0.831 15.290 1.00 63.23 H new ATOM 586 N PRO A 42 -5.187 -3.675 21.153 1.00 55.45 N ATOM 587 CA PRO A 42 -4.473 -4.746 21.854 1.00 12.52 C ATOM 588 C PRO A 42 -4.822 -6.127 21.311 1.00 14.23 C ATOM 589 O PRO A 42 -3.938 -6.928 21.003 1.00 41.43 O ATOM 590 CB PRO A 42 -4.951 -4.603 23.301 1.00 5.30 C ATOM 591 CG PRO A 42 -6.285 -3.948 23.195 1.00 62.05 C ATOM 592 CD PRO A 42 -6.206 -3.036 22.003 1.00 51.31 C ATOM 0 HA PRO A 42 -3.393 -4.660 21.737 1.00 12.52 H new ATOM 0 HB2 PRO A 42 -5.024 -5.574 23.792 1.00 5.30 H new ATOM 0 HB3 PRO A 42 -4.259 -4.000 23.889 1.00 5.30 H new ATOM 0 HG2 PRO A 42 -7.074 -4.689 23.068 1.00 62.05 H new ATOM 0 HG3 PRO A 42 -6.517 -3.387 24.100 1.00 62.05 H new ATOM 0 HD2 PRO A 42 -7.165 -2.959 21.491 1.00 51.31 H new ATOM 0 HD3 PRO A 42 -5.915 -2.025 22.289 1.00 51.31 H new ATOM 600 N THR A 43 -6.117 -6.403 21.195 1.00 43.13 N ATOM 601 CA THR A 43 -6.583 -7.687 20.689 1.00 61.22 C ATOM 602 C THR A 43 -6.353 -7.804 19.187 1.00 64.54 C ATOM 603 O THR A 43 -6.440 -6.817 18.458 1.00 1.53 O ATOM 604 CB THR A 43 -8.081 -7.898 20.985 1.00 51.23 C ATOM 605 OG1 THR A 43 -8.840 -6.796 20.475 1.00 11.13 O ATOM 606 CG2 THR A 43 -8.322 -8.037 22.481 1.00 71.11 C ATOM 0 H THR A 43 -6.862 -5.753 21.445 1.00 43.13 H new ATOM 0 HA THR A 43 -6.006 -8.456 21.203 1.00 61.22 H new ATOM 0 HB THR A 43 -8.401 -8.817 20.494 1.00 51.23 H new ATOM 0 HG1 THR A 43 -9.791 -6.938 20.665 1.00 11.13 H new ATOM 0 HG21 THR A 43 -9.386 -8.185 22.666 1.00 71.11 H new ATOM 0 HG22 THR A 43 -7.765 -8.893 22.861 1.00 71.11 H new ATOM 0 HG23 THR A 43 -7.988 -7.132 22.989 1.00 71.11 H new ATOM 614 N GLY A 44 -6.058 -9.018 18.730 1.00 63.04 N ATOM 615 CA GLY A 44 -5.821 -9.240 17.316 1.00 40.23 C ATOM 616 C GLY A 44 -6.750 -8.428 16.437 1.00 25.00 C ATOM 617 O GLY A 44 -7.893 -8.819 16.198 1.00 31.51 O ATOM 0 H GLY A 44 -5.979 -9.851 19.314 1.00 63.04 H new ATOM 0 HA2 GLY A 44 -4.788 -8.985 17.080 1.00 40.23 H new ATOM 0 HA3 GLY A 44 -5.947 -10.299 17.092 1.00 40.23 H new ATOM 621 N THR A 45 -6.261 -7.289 15.954 1.00 31.42 N ATOM 622 CA THR A 45 -7.057 -6.418 15.098 1.00 55.32 C ATOM 623 C THR A 45 -6.166 -5.559 14.208 1.00 51.15 C ATOM 624 O THR A 45 -5.016 -5.276 14.550 1.00 64.01 O ATOM 625 CB THR A 45 -7.972 -5.499 15.929 1.00 72.21 C ATOM 626 OG1 THR A 45 -7.242 -4.943 17.028 1.00 15.40 O ATOM 627 CG2 THR A 45 -9.178 -6.266 16.451 1.00 40.33 C ATOM 0 H THR A 45 -5.318 -6.949 16.141 1.00 31.42 H new ATOM 0 HA THR A 45 -7.674 -7.065 14.474 1.00 55.32 H new ATOM 0 HB THR A 45 -8.324 -4.694 15.284 1.00 72.21 H new ATOM 0 HG1 THR A 45 -7.320 -3.966 17.012 1.00 15.40 H new ATOM 0 HG21 THR A 45 -9.810 -5.597 17.035 1.00 40.33 H new ATOM 0 HG22 THR A 45 -9.748 -6.663 15.611 1.00 40.33 H new ATOM 0 HG23 THR A 45 -8.841 -7.089 17.081 1.00 40.33 H new ATOM 635 N LYS A 46 -6.701 -5.145 13.066 1.00 41.30 N ATOM 636 CA LYS A 46 -5.956 -4.316 12.126 1.00 10.02 C ATOM 637 C LYS A 46 -6.849 -3.856 10.978 1.00 22.31 C ATOM 638 O LYS A 46 -7.556 -4.659 10.369 1.00 52.21 O ATOM 639 CB LYS A 46 -4.755 -5.087 11.574 1.00 23.42 C ATOM 640 CG LYS A 46 -5.093 -6.499 11.125 1.00 1.30 C ATOM 641 CD LYS A 46 -4.464 -7.540 12.036 1.00 12.42 C ATOM 642 CE LYS A 46 -2.971 -7.677 11.776 1.00 71.03 C ATOM 643 NZ LYS A 46 -2.494 -9.068 12.009 1.00 13.31 N ATOM 0 H LYS A 46 -7.650 -5.370 12.768 1.00 41.30 H new ATOM 0 HA LYS A 46 -5.600 -3.436 12.661 1.00 10.02 H new ATOM 0 HB2 LYS A 46 -4.337 -4.537 10.731 1.00 23.42 H new ATOM 0 HB3 LYS A 46 -3.981 -5.134 12.340 1.00 23.42 H new ATOM 0 HG2 LYS A 46 -6.175 -6.629 11.115 1.00 1.30 H new ATOM 0 HG3 LYS A 46 -4.744 -6.650 10.103 1.00 1.30 H new ATOM 0 HD2 LYS A 46 -4.629 -7.262 13.077 1.00 12.42 H new ATOM 0 HD3 LYS A 46 -4.951 -8.503 11.882 1.00 12.42 H new ATOM 0 HE2 LYS A 46 -2.753 -7.385 10.749 1.00 71.03 H new ATOM 0 HE3 LYS A 46 -2.425 -6.992 12.425 1.00 71.03 H new ATOM 0 HZ1 LYS A 46 -1.472 -9.121 11.821 1.00 13.31 H new ATOM 0 HZ2 LYS A 46 -2.679 -9.338 12.996 1.00 13.31 H new ATOM 0 HZ3 LYS A 46 -2.997 -9.719 11.372 1.00 13.31 H new ATOM 657 N VAL A 47 -6.812 -2.560 10.688 1.00 43.15 N ATOM 658 CA VAL A 47 -7.616 -1.994 9.612 1.00 41.40 C ATOM 659 C VAL A 47 -6.978 -2.256 8.252 1.00 51.30 C ATOM 660 O VAL A 47 -6.012 -1.596 7.869 1.00 40.54 O ATOM 661 CB VAL A 47 -7.807 -0.476 9.792 1.00 24.23 C ATOM 662 CG1 VAL A 47 -8.517 0.120 8.586 1.00 13.44 C ATOM 663 CG2 VAL A 47 -8.578 -0.185 11.071 1.00 71.15 C ATOM 0 H VAL A 47 -6.233 -1.882 11.184 1.00 43.15 H new ATOM 0 HA VAL A 47 -8.589 -2.483 9.654 1.00 41.40 H new ATOM 0 HB VAL A 47 -6.825 -0.011 9.872 1.00 24.23 H new ATOM 0 HG11 VAL A 47 -8.643 1.193 8.731 1.00 13.44 H new ATOM 0 HG12 VAL A 47 -7.923 -0.057 7.690 1.00 13.44 H new ATOM 0 HG13 VAL A 47 -9.495 -0.348 8.472 1.00 13.44 H new ATOM 0 HG21 VAL A 47 -8.704 0.892 11.183 1.00 71.15 H new ATOM 0 HG22 VAL A 47 -9.557 -0.662 11.022 1.00 71.15 H new ATOM 0 HG23 VAL A 47 -8.026 -0.576 11.926 1.00 71.15 H new ATOM 673 N THR A 48 -7.524 -3.226 7.526 1.00 52.41 N ATOM 674 CA THR A 48 -7.008 -3.577 6.208 1.00 54.02 C ATOM 675 C THR A 48 -7.162 -2.418 5.231 1.00 25.01 C ATOM 676 O THR A 48 -6.273 -2.153 4.422 1.00 15.11 O ATOM 677 CB THR A 48 -7.723 -4.815 5.636 1.00 22.41 C ATOM 678 OG1 THR A 48 -7.241 -5.095 4.318 1.00 13.40 O ATOM 679 CG2 THR A 48 -9.229 -4.599 5.595 1.00 51.01 C ATOM 0 H THR A 48 -8.323 -3.783 7.828 1.00 52.41 H new ATOM 0 HA THR A 48 -5.949 -3.804 6.333 1.00 54.02 H new ATOM 0 HB THR A 48 -7.510 -5.663 6.287 1.00 22.41 H new ATOM 0 HG1 THR A 48 -7.700 -5.885 3.963 1.00 13.40 H new ATOM 0 HG21 THR A 48 -9.713 -5.487 5.187 1.00 51.01 H new ATOM 0 HG22 THR A 48 -9.598 -4.416 6.604 1.00 51.01 H new ATOM 0 HG23 THR A 48 -9.456 -3.740 4.964 1.00 51.01 H new ATOM 687 N SER A 49 -8.296 -1.730 5.310 1.00 51.15 N ATOM 688 CA SER A 49 -8.568 -0.600 4.430 1.00 2.43 C ATOM 689 C SER A 49 -9.424 0.446 5.137 1.00 5.31 C ATOM 690 O SER A 49 -10.064 0.160 6.147 1.00 61.14 O ATOM 691 CB SER A 49 -9.271 -1.076 3.157 1.00 3.31 C ATOM 692 OG SER A 49 -8.333 -1.517 2.190 1.00 70.33 O ATOM 0 H SER A 49 -9.042 -1.935 5.975 1.00 51.15 H new ATOM 0 HA SER A 49 -7.616 -0.143 4.161 1.00 2.43 H new ATOM 0 HB2 SER A 49 -9.957 -1.888 3.399 1.00 3.31 H new ATOM 0 HB3 SER A 49 -9.870 -0.265 2.744 1.00 3.31 H new ATOM 0 HG SER A 49 -7.510 -1.803 2.639 1.00 70.33 H new ATOM 698 N ALA A 50 -9.430 1.660 4.595 1.00 65.24 N ATOM 699 CA ALA A 50 -10.208 2.750 5.172 1.00 23.12 C ATOM 700 C ALA A 50 -10.576 3.783 4.113 1.00 2.34 C ATOM 701 O ALA A 50 -9.955 3.845 3.051 1.00 71.35 O ATOM 702 CB ALA A 50 -9.437 3.407 6.307 1.00 43.22 C ATOM 0 H ALA A 50 -8.905 1.913 3.758 1.00 65.24 H new ATOM 0 HA ALA A 50 -11.132 2.331 5.570 1.00 23.12 H new ATOM 0 HB1 ALA A 50 -10.030 4.219 6.728 1.00 43.22 H new ATOM 0 HB2 ALA A 50 -9.231 2.669 7.082 1.00 43.22 H new ATOM 0 HB3 ALA A 50 -8.497 3.805 5.926 1.00 43.22 H new ATOM 708 N TRP A 51 -11.589 4.590 4.407 1.00 11.24 N ATOM 709 CA TRP A 51 -12.040 5.619 3.477 1.00 43.43 C ATOM 710 C TRP A 51 -12.533 6.853 4.227 1.00 34.44 C ATOM 711 O TRP A 51 -13.124 6.741 5.302 1.00 72.20 O ATOM 712 CB TRP A 51 -13.153 5.074 2.580 1.00 42.43 C ATOM 713 CG TRP A 51 -14.231 4.362 3.338 1.00 72.41 C ATOM 714 CD1 TRP A 51 -15.185 4.927 4.135 1.00 51.34 C ATOM 715 CD2 TRP A 51 -14.464 2.949 3.372 1.00 62.52 C ATOM 716 NE1 TRP A 51 -15.996 3.953 4.662 1.00 25.03 N ATOM 717 CE2 TRP A 51 -15.576 2.730 4.209 1.00 50.40 C ATOM 718 CE3 TRP A 51 -13.843 1.849 2.776 1.00 33.33 C ATOM 719 CZ2 TRP A 51 -16.077 1.456 4.463 1.00 53.43 C ATOM 720 CZ3 TRP A 51 -14.340 0.585 3.030 1.00 25.22 C ATOM 721 CH2 TRP A 51 -15.449 0.397 3.867 1.00 3.12 C ATOM 0 H TRP A 51 -12.113 4.552 5.281 1.00 11.24 H new ATOM 0 HA TRP A 51 -11.192 5.908 2.856 1.00 43.43 H new ATOM 0 HB2 TRP A 51 -13.596 5.898 2.021 1.00 42.43 H new ATOM 0 HB3 TRP A 51 -12.720 4.390 1.850 1.00 42.43 H new ATOM 0 HD1 TRP A 51 -15.287 5.986 4.323 1.00 51.34 H new ATOM 0 HE1 TRP A 51 -16.784 4.114 5.289 1.00 25.03 H new ATOM 0 HE3 TRP A 51 -12.990 1.984 2.128 1.00 33.33 H new ATOM 0 HZ2 TRP A 51 -16.931 1.309 5.108 1.00 53.43 H new ATOM 0 HZ3 TRP A 51 -13.866 -0.273 2.576 1.00 25.22 H new ATOM 0 HH2 TRP A 51 -15.815 -0.604 4.045 1.00 3.12 H new ATOM 732 N ASP A 52 -12.286 8.026 3.656 1.00 31.24 N ATOM 733 CA ASP A 52 -12.707 9.279 4.271 1.00 35.03 C ATOM 734 C ASP A 52 -11.975 9.509 5.590 1.00 61.01 C ATOM 735 O ASP A 52 -12.362 10.365 6.384 1.00 24.41 O ATOM 736 CB ASP A 52 -14.218 9.276 4.506 1.00 11.34 C ATOM 737 CG ASP A 52 -14.839 10.642 4.295 1.00 61.00 C ATOM 738 OD1 ASP A 52 -15.082 11.011 3.126 1.00 30.41 O ATOM 739 OD2 ASP A 52 -15.084 11.342 5.299 1.00 63.14 O ATOM 0 H ASP A 52 -11.796 8.136 2.768 1.00 31.24 H new ATOM 0 HA ASP A 52 -12.456 10.092 3.589 1.00 35.03 H new ATOM 0 HB2 ASP A 52 -14.686 8.559 3.832 1.00 11.34 H new ATOM 0 HB3 ASP A 52 -14.424 8.939 5.522 1.00 11.34 H new ATOM 744 N ALA A 53 -10.915 8.739 5.816 1.00 25.34 N ATOM 745 CA ALA A 53 -10.130 8.859 7.038 1.00 1.34 C ATOM 746 C ALA A 53 -8.879 7.989 6.973 1.00 74.02 C ATOM 747 O ALA A 53 -8.937 6.781 7.203 1.00 43.20 O ATOM 748 CB ALA A 53 -10.974 8.485 8.247 1.00 11.13 C ATOM 0 H ALA A 53 -10.581 8.026 5.168 1.00 25.34 H new ATOM 0 HA ALA A 53 -9.814 9.897 7.138 1.00 1.34 H new ATOM 0 HB1 ALA A 53 -10.375 8.579 9.152 1.00 11.13 H new ATOM 0 HB2 ALA A 53 -11.834 9.151 8.310 1.00 11.13 H new ATOM 0 HB3 ALA A 53 -11.319 7.456 8.146 1.00 11.13 H new ATOM 754 N THR A 54 -7.747 8.611 6.658 1.00 54.01 N ATOM 755 CA THR A 54 -6.482 7.894 6.561 1.00 61.33 C ATOM 756 C THR A 54 -6.132 7.216 7.882 1.00 5.50 C ATOM 757 O THR A 54 -5.587 7.845 8.788 1.00 54.23 O ATOM 758 CB THR A 54 -5.331 8.836 6.161 1.00 30.15 C ATOM 759 OG1 THR A 54 -5.584 9.396 4.867 1.00 21.33 O ATOM 760 CG2 THR A 54 -4.004 8.093 6.147 1.00 2.40 C ATOM 0 H THR A 54 -7.681 9.611 6.466 1.00 54.01 H new ATOM 0 HA THR A 54 -6.607 7.136 5.788 1.00 61.33 H new ATOM 0 HB THR A 54 -5.273 9.637 6.898 1.00 30.15 H new ATOM 0 HG1 THR A 54 -4.849 9.995 4.620 1.00 21.33 H new ATOM 0 HG21 THR A 54 -3.206 8.779 5.862 1.00 2.40 H new ATOM 0 HG22 THR A 54 -3.801 7.693 7.140 1.00 2.40 H new ATOM 0 HG23 THR A 54 -4.053 7.274 5.429 1.00 2.40 H new ATOM 768 N VAL A 55 -6.450 5.929 7.983 1.00 53.45 N ATOM 769 CA VAL A 55 -6.166 5.165 9.192 1.00 43.30 C ATOM 770 C VAL A 55 -4.808 4.481 9.104 1.00 55.12 C ATOM 771 O VAL A 55 -4.610 3.567 8.303 1.00 73.25 O ATOM 772 CB VAL A 55 -7.249 4.101 9.449 1.00 22.44 C ATOM 773 CG1 VAL A 55 -6.950 3.332 10.727 1.00 34.13 C ATOM 774 CG2 VAL A 55 -8.625 4.745 9.516 1.00 4.23 C ATOM 0 H VAL A 55 -6.904 5.394 7.243 1.00 53.45 H new ATOM 0 HA VAL A 55 -6.159 5.874 10.020 1.00 43.30 H new ATOM 0 HB VAL A 55 -7.243 3.396 8.618 1.00 22.44 H new ATOM 0 HG11 VAL A 55 -7.726 2.585 10.892 1.00 34.13 H new ATOM 0 HG12 VAL A 55 -5.983 2.837 10.636 1.00 34.13 H new ATOM 0 HG13 VAL A 55 -6.926 4.023 11.570 1.00 34.13 H new ATOM 0 HG21 VAL A 55 -9.377 3.978 9.698 1.00 4.23 H new ATOM 0 HG22 VAL A 55 -8.647 5.474 10.326 1.00 4.23 H new ATOM 0 HG23 VAL A 55 -8.839 5.246 8.572 1.00 4.23 H new ATOM 784 N THR A 56 -3.870 4.929 9.935 1.00 31.51 N ATOM 785 CA THR A 56 -2.528 4.361 9.951 1.00 70.10 C ATOM 786 C THR A 56 -2.325 3.468 11.170 1.00 54.44 C ATOM 787 O THR A 56 -3.194 3.373 12.035 1.00 4.54 O ATOM 788 CB THR A 56 -1.452 5.463 9.950 1.00 73.54 C ATOM 789 OG1 THR A 56 -0.160 4.885 9.731 1.00 41.12 O ATOM 790 CG2 THR A 56 -1.455 6.224 11.267 1.00 62.25 C ATOM 0 H THR A 56 -4.016 5.684 10.605 1.00 31.51 H new ATOM 0 HA THR A 56 -2.426 3.764 9.045 1.00 70.10 H new ATOM 0 HB THR A 56 -1.679 6.161 9.145 1.00 73.54 H new ATOM 0 HG1 THR A 56 0.519 5.592 9.730 1.00 41.12 H new ATOM 0 HG21 THR A 56 -0.687 6.997 11.242 1.00 62.25 H new ATOM 0 HG22 THR A 56 -2.430 6.687 11.418 1.00 62.25 H new ATOM 0 HG23 THR A 56 -1.250 5.535 12.086 1.00 62.25 H new ATOM 798 N ASN A 57 -1.168 2.816 11.233 1.00 4.24 N ATOM 799 CA ASN A 57 -0.850 1.930 12.346 1.00 71.53 C ATOM 800 C ASN A 57 0.583 2.150 12.824 1.00 63.31 C ATOM 801 O ASN A 57 1.415 2.690 12.096 1.00 62.13 O ATOM 802 CB ASN A 57 -1.043 0.469 11.935 1.00 64.34 C ATOM 803 CG ASN A 57 0.173 -0.100 11.232 1.00 11.24 C ATOM 804 OD1 ASN A 57 1.142 -0.507 11.874 1.00 60.24 O ATOM 805 ND2 ASN A 57 0.129 -0.130 9.905 1.00 54.33 N ATOM 0 H ASN A 57 -0.436 2.885 10.526 1.00 4.24 H new ATOM 0 HA ASN A 57 -1.529 2.162 13.167 1.00 71.53 H new ATOM 0 HB2 ASN A 57 -1.260 -0.129 12.820 1.00 64.34 H new ATOM 0 HB3 ASN A 57 -1.909 0.391 11.277 1.00 64.34 H new ATOM 0 HD21 ASN A 57 0.919 -0.501 9.377 1.00 54.33 H new ATOM 0 HD22 ASN A 57 -0.695 0.218 9.414 1.00 54.33 H new ATOM 812 N SER A 58 0.863 1.726 14.053 1.00 4.33 N ATOM 813 CA SER A 58 2.193 1.879 14.629 1.00 64.31 C ATOM 814 C SER A 58 2.387 0.930 15.809 1.00 2.04 C ATOM 815 O SER A 58 2.174 1.303 16.962 1.00 53.42 O ATOM 816 CB SER A 58 2.413 3.324 15.082 1.00 42.22 C ATOM 817 OG SER A 58 3.730 3.511 15.568 1.00 34.11 O ATOM 0 H SER A 58 0.186 1.274 14.668 1.00 4.33 H new ATOM 0 HA SER A 58 2.925 1.631 13.860 1.00 64.31 H new ATOM 0 HB2 SER A 58 2.230 4.002 14.248 1.00 42.22 H new ATOM 0 HB3 SER A 58 1.695 3.577 15.862 1.00 42.22 H new ATOM 0 HG SER A 58 3.846 4.443 15.850 1.00 34.11 H new ATOM 823 N GLY A 59 2.791 -0.301 15.510 1.00 44.34 N ATOM 824 CA GLY A 59 3.006 -1.285 16.554 1.00 22.32 C ATOM 825 C GLY A 59 1.708 -1.852 17.094 1.00 3.41 C ATOM 826 O GLY A 59 1.182 -2.831 16.563 1.00 74.10 O ATOM 0 H GLY A 59 2.973 -0.634 14.563 1.00 44.34 H new ATOM 0 HA2 GLY A 59 3.618 -2.097 16.163 1.00 22.32 H new ATOM 0 HA3 GLY A 59 3.566 -0.828 17.370 1.00 22.32 H new ATOM 830 N ASP A 60 1.190 -1.237 18.150 1.00 62.54 N ATOM 831 CA ASP A 60 -0.056 -1.688 18.762 1.00 41.24 C ATOM 832 C ASP A 60 -1.053 -0.538 18.872 1.00 4.25 C ATOM 833 O ASP A 60 -2.093 -0.664 19.520 1.00 33.20 O ATOM 834 CB ASP A 60 0.215 -2.277 20.147 1.00 53.41 C ATOM 835 CG ASP A 60 0.012 -3.779 20.187 1.00 42.35 C ATOM 836 OD1 ASP A 60 0.451 -4.463 19.238 1.00 54.40 O ATOM 837 OD2 ASP A 60 -0.585 -4.271 21.167 1.00 41.42 O ATOM 0 H ASP A 60 1.612 -0.425 18.601 1.00 62.54 H new ATOM 0 HA ASP A 60 -0.487 -2.461 18.125 1.00 41.24 H new ATOM 0 HB2 ASP A 60 1.237 -2.043 20.444 1.00 53.41 H new ATOM 0 HB3 ASP A 60 -0.445 -1.805 20.875 1.00 53.41 H new ATOM 842 N HIS A 61 -0.730 0.582 18.235 1.00 1.32 N ATOM 843 CA HIS A 61 -1.598 1.754 18.260 1.00 73.02 C ATOM 844 C HIS A 61 -2.082 2.104 16.856 1.00 12.10 C ATOM 845 O HIS A 61 -1.365 1.905 15.876 1.00 0.23 O ATOM 846 CB HIS A 61 -0.861 2.948 18.870 1.00 33.54 C ATOM 847 CG HIS A 61 -1.675 4.204 18.896 1.00 71.04 C ATOM 848 ND1 HIS A 61 -2.512 4.537 19.940 1.00 61.54 N ATOM 849 CD2 HIS A 61 -1.776 5.213 17.999 1.00 35.14 C ATOM 850 CE1 HIS A 61 -3.094 5.695 19.684 1.00 50.22 C ATOM 851 NE2 HIS A 61 -2.664 6.127 18.512 1.00 1.44 N ATOM 0 H HIS A 61 0.127 0.703 17.695 1.00 1.32 H new ATOM 0 HA HIS A 61 -2.466 1.518 18.876 1.00 73.02 H new ATOM 0 HB2 HIS A 61 -0.561 2.698 19.888 1.00 33.54 H new ATOM 0 HB3 HIS A 61 0.053 3.129 18.304 1.00 33.54 H new ATOM 0 HD1 HIS A 61 -2.659 3.976 20.779 1.00 61.54 H new ATOM 0 HD2 HIS A 61 -1.255 5.286 17.056 1.00 35.14 H new ATOM 0 HE1 HIS A 61 -3.801 6.202 20.324 1.00 50.22 H new ATOM 859 N TRP A 62 -3.300 2.623 16.768 1.00 24.31 N ATOM 860 CA TRP A 62 -3.880 2.999 15.484 1.00 41.42 C ATOM 861 C TRP A 62 -4.516 4.382 15.557 1.00 44.33 C ATOM 862 O TRP A 62 -5.157 4.731 16.549 1.00 73.44 O ATOM 863 CB TRP A 62 -4.923 1.967 15.050 1.00 53.53 C ATOM 864 CG TRP A 62 -4.323 0.672 14.593 1.00 51.15 C ATOM 865 CD1 TRP A 62 -3.733 -0.278 15.375 1.00 33.15 C ATOM 866 CD2 TRP A 62 -4.253 0.188 13.248 1.00 11.21 C ATOM 867 NE1 TRP A 62 -3.301 -1.325 14.597 1.00 75.30 N ATOM 868 CE2 TRP A 62 -3.608 -1.064 13.288 1.00 25.31 C ATOM 869 CE3 TRP A 62 -4.673 0.689 12.013 1.00 25.21 C ATOM 870 CZ2 TRP A 62 -3.375 -1.818 12.142 1.00 12.24 C ATOM 871 CZ3 TRP A 62 -4.441 -0.062 10.876 1.00 40.40 C ATOM 872 CH2 TRP A 62 -3.797 -1.304 10.947 1.00 4.52 C ATOM 0 H TRP A 62 -3.906 2.793 17.571 1.00 24.31 H new ATOM 0 HA TRP A 62 -3.078 3.027 14.746 1.00 41.42 H new ATOM 0 HB2 TRP A 62 -5.599 1.772 15.882 1.00 53.53 H new ATOM 0 HB3 TRP A 62 -5.524 2.386 14.243 1.00 53.53 H new ATOM 0 HD1 TRP A 62 -3.622 -0.216 16.447 1.00 33.15 H new ATOM 0 HE1 TRP A 62 -2.828 -2.161 14.939 1.00 75.30 H new ATOM 0 HE3 TRP A 62 -5.170 1.646 11.948 1.00 25.21 H new ATOM 0 HZ2 TRP A 62 -2.878 -2.776 12.194 1.00 12.24 H new ATOM 0 HZ3 TRP A 62 -4.762 0.315 9.916 1.00 40.40 H new ATOM 0 HH2 TRP A 62 -3.630 -1.867 10.040 1.00 4.52 H new ATOM 883 N THR A 63 -4.335 5.170 14.501 1.00 54.03 N ATOM 884 CA THR A 63 -4.890 6.517 14.447 1.00 21.15 C ATOM 885 C THR A 63 -5.421 6.836 13.055 1.00 5.22 C ATOM 886 O THR A 63 -4.892 6.358 12.052 1.00 13.23 O ATOM 887 CB THR A 63 -3.840 7.573 14.838 1.00 64.10 C ATOM 888 OG1 THR A 63 -4.384 8.887 14.677 1.00 5.31 O ATOM 889 CG2 THR A 63 -2.586 7.430 13.989 1.00 52.15 C ATOM 0 H THR A 63 -3.808 4.898 13.671 1.00 54.03 H new ATOM 0 HA THR A 63 -5.711 6.550 15.163 1.00 21.15 H new ATOM 0 HB THR A 63 -3.571 7.417 15.883 1.00 64.10 H new ATOM 0 HG1 THR A 63 -3.711 9.553 14.929 1.00 5.31 H new ATOM 0 HG21 THR A 63 -1.859 8.187 14.284 1.00 52.15 H new ATOM 0 HG22 THR A 63 -2.158 6.439 14.136 1.00 52.15 H new ATOM 0 HG23 THR A 63 -2.841 7.562 12.938 1.00 52.15 H new ATOM 897 N ALA A 64 -6.472 7.649 12.999 1.00 75.54 N ATOM 898 CA ALA A 64 -7.074 8.034 11.728 1.00 71.14 C ATOM 899 C ALA A 64 -7.297 9.542 11.662 1.00 34.34 C ATOM 900 O ALA A 64 -7.640 10.173 12.662 1.00 50.41 O ATOM 901 CB ALA A 64 -8.386 7.294 11.520 1.00 63.15 C ATOM 0 H ALA A 64 -6.924 8.053 13.819 1.00 75.54 H new ATOM 0 HA ALA A 64 -6.385 7.759 10.929 1.00 71.14 H new ATOM 0 HB1 ALA A 64 -8.824 7.591 10.567 1.00 63.15 H new ATOM 0 HB2 ALA A 64 -8.201 6.220 11.515 1.00 63.15 H new ATOM 0 HB3 ALA A 64 -9.075 7.540 12.328 1.00 63.15 H new ATOM 907 N LYS A 65 -7.099 10.113 10.479 1.00 70.21 N ATOM 908 CA LYS A 65 -7.280 11.546 10.281 1.00 33.50 C ATOM 909 C LYS A 65 -7.917 11.832 8.926 1.00 23.21 C ATOM 910 O LYS A 65 -7.892 10.991 8.027 1.00 42.14 O ATOM 911 CB LYS A 65 -5.935 12.269 10.387 1.00 4.14 C ATOM 912 CG LYS A 65 -4.947 11.878 9.302 1.00 44.24 C ATOM 913 CD LYS A 65 -4.204 10.602 9.658 1.00 13.00 C ATOM 914 CE LYS A 65 -2.703 10.837 9.742 1.00 21.44 C ATOM 915 NZ LYS A 65 -2.259 11.092 11.141 1.00 1.52 N ATOM 0 H LYS A 65 -6.813 9.605 9.642 1.00 70.21 H new ATOM 0 HA LYS A 65 -7.947 11.914 11.061 1.00 33.50 H new ATOM 0 HB2 LYS A 65 -6.106 13.345 10.341 1.00 4.14 H new ATOM 0 HB3 LYS A 65 -5.494 12.058 11.361 1.00 4.14 H new ATOM 0 HG2 LYS A 65 -5.476 11.741 8.359 1.00 44.24 H new ATOM 0 HG3 LYS A 65 -4.232 12.687 9.151 1.00 44.24 H new ATOM 0 HD2 LYS A 65 -4.568 10.222 10.612 1.00 13.00 H new ATOM 0 HD3 LYS A 65 -4.413 9.837 8.910 1.00 13.00 H new ATOM 0 HE2 LYS A 65 -2.177 9.968 9.347 1.00 21.44 H new ATOM 0 HE3 LYS A 65 -2.433 11.686 9.115 1.00 21.44 H new ATOM 0 HZ1 LYS A 65 -1.231 11.247 11.156 1.00 1.52 H new ATOM 0 HZ2 LYS A 65 -2.742 11.936 11.510 1.00 1.52 H new ATOM 0 HZ3 LYS A 65 -2.494 10.271 11.735 1.00 1.52 H new ATOM 929 N ASN A 66 -8.489 13.024 8.786 1.00 13.35 N ATOM 930 CA ASN A 66 -9.133 13.421 7.538 1.00 13.23 C ATOM 931 C ASN A 66 -8.664 14.805 7.100 1.00 63.31 C ATOM 932 O ASN A 66 -8.243 14.998 5.960 1.00 53.03 O ATOM 933 CB ASN A 66 -10.654 13.412 7.700 1.00 51.43 C ATOM 934 CG ASN A 66 -11.375 13.785 6.419 1.00 73.03 C ATOM 935 OD1 ASN A 66 -12.133 14.754 6.379 1.00 54.52 O ATOM 936 ND2 ASN A 66 -11.139 13.014 5.363 1.00 41.34 N ATOM 0 H ASN A 66 -8.520 13.731 9.520 1.00 13.35 H new ATOM 0 HA ASN A 66 -8.852 12.702 6.768 1.00 13.23 H new ATOM 0 HB2 ASN A 66 -10.977 12.421 8.020 1.00 51.43 H new ATOM 0 HB3 ASN A 66 -10.937 14.109 8.489 1.00 51.43 H new ATOM 0 HD21 ASN A 66 -11.594 13.215 4.473 1.00 41.34 H new ATOM 0 HD22 ASN A 66 -10.503 12.221 5.443 1.00 41.34 H new ATOM 943 N VAL A 67 -8.739 15.767 8.016 1.00 24.33 N ATOM 944 CA VAL A 67 -8.321 17.133 7.726 1.00 5.14 C ATOM 945 C VAL A 67 -7.007 17.465 8.422 1.00 33.13 C ATOM 946 O VAL A 67 -6.813 18.577 8.909 1.00 45.41 O ATOM 947 CB VAL A 67 -9.392 18.151 8.161 1.00 42.34 C ATOM 948 CG1 VAL A 67 -9.593 19.207 7.084 1.00 24.21 C ATOM 949 CG2 VAL A 67 -10.701 17.445 8.479 1.00 70.15 C ATOM 0 H VAL A 67 -9.085 15.625 8.965 1.00 24.33 H new ATOM 0 HA VAL A 67 -8.183 17.200 6.647 1.00 5.14 H new ATOM 0 HB VAL A 67 -9.047 18.651 9.066 1.00 42.34 H new ATOM 0 HG11 VAL A 67 -10.353 19.918 7.409 1.00 24.21 H new ATOM 0 HG12 VAL A 67 -8.654 19.733 6.911 1.00 24.21 H new ATOM 0 HG13 VAL A 67 -9.916 18.727 6.160 1.00 24.21 H new ATOM 0 HG21 VAL A 67 -11.446 18.180 8.784 1.00 70.15 H new ATOM 0 HG22 VAL A 67 -11.054 16.917 7.593 1.00 70.15 H new ATOM 0 HG23 VAL A 67 -10.542 16.731 9.288 1.00 70.15 H new ATOM 959 N GLY A 68 -6.103 16.490 8.464 1.00 64.11 N ATOM 960 CA GLY A 68 -4.817 16.698 9.102 1.00 53.44 C ATOM 961 C GLY A 68 -3.835 17.425 8.205 1.00 14.40 C ATOM 962 O GLY A 68 -2.687 17.655 8.586 1.00 21.35 O ATOM 0 H GLY A 68 -6.239 15.560 8.067 1.00 64.11 H new ATOM 0 HA2 GLY A 68 -4.958 17.270 10.019 1.00 53.44 H new ATOM 0 HA3 GLY A 68 -4.397 15.734 9.389 1.00 53.44 H new ATOM 966 N TRP A 69 -4.286 17.787 7.009 1.00 12.25 N ATOM 967 CA TRP A 69 -3.437 18.490 6.054 1.00 2.55 C ATOM 968 C TRP A 69 -3.990 19.880 5.755 1.00 1.24 C ATOM 969 O TRP A 69 -3.248 20.784 5.372 1.00 31.32 O ATOM 970 CB TRP A 69 -3.318 17.686 4.758 1.00 4.35 C ATOM 971 CG TRP A 69 -4.536 16.869 4.451 1.00 43.21 C ATOM 972 CD1 TRP A 69 -4.790 15.591 4.860 1.00 30.02 C ATOM 973 CD2 TRP A 69 -5.666 17.273 3.669 1.00 53.50 C ATOM 974 NE1 TRP A 69 -6.009 15.176 4.380 1.00 42.53 N ATOM 975 CE2 TRP A 69 -6.565 16.191 3.646 1.00 24.23 C ATOM 976 CE3 TRP A 69 -6.004 18.445 2.987 1.00 13.34 C ATOM 977 CZ2 TRP A 69 -7.781 16.247 2.968 1.00 12.21 C ATOM 978 CZ3 TRP A 69 -7.209 18.500 2.313 1.00 20.02 C ATOM 979 CH2 TRP A 69 -8.086 17.407 2.308 1.00 72.30 C ATOM 0 H TRP A 69 -5.234 17.606 6.678 1.00 12.25 H new ATOM 0 HA TRP A 69 -2.447 18.600 6.497 1.00 2.55 H new ATOM 0 HB2 TRP A 69 -3.130 18.370 3.931 1.00 4.35 H new ATOM 0 HB3 TRP A 69 -2.454 17.025 4.827 1.00 4.35 H new ATOM 0 HD1 TRP A 69 -4.130 14.994 5.471 1.00 30.02 H new ATOM 0 HE1 TRP A 69 -6.431 14.262 4.543 1.00 42.53 H new ATOM 0 HE3 TRP A 69 -5.335 19.293 2.987 1.00 13.34 H new ATOM 0 HZ2 TRP A 69 -8.458 15.406 2.963 1.00 12.21 H new ATOM 0 HZ3 TRP A 69 -7.479 19.400 1.781 1.00 20.02 H new ATOM 0 HH2 TRP A 69 -9.021 17.481 1.773 1.00 72.30 H new ATOM 990 N ASN A 70 -5.297 20.043 5.932 1.00 22.42 N ATOM 991 CA ASN A 70 -5.949 21.323 5.681 1.00 13.01 C ATOM 992 C ASN A 70 -6.437 21.949 6.983 1.00 60.41 C ATOM 993 O ASN A 70 -6.364 23.164 7.166 1.00 21.21 O ATOM 994 CB ASN A 70 -7.123 21.141 4.717 1.00 11.23 C ATOM 995 CG ASN A 70 -6.904 21.856 3.398 1.00 65.12 C ATOM 996 OD1 ASN A 70 -7.805 22.516 2.880 1.00 30.41 O ATOM 997 ND2 ASN A 70 -5.703 21.728 2.848 1.00 1.32 N ATOM 0 H ASN A 70 -5.926 19.305 6.248 1.00 22.42 H new ATOM 0 HA ASN A 70 -5.218 21.993 5.229 1.00 13.01 H new ATOM 0 HB2 ASN A 70 -7.275 20.078 4.530 1.00 11.23 H new ATOM 0 HB3 ASN A 70 -8.034 21.516 5.183 1.00 11.23 H new ATOM 0 HD21 ASN A 70 -5.497 22.187 1.961 1.00 1.32 H new ATOM 0 HD22 ASN A 70 -4.986 21.171 3.313 1.00 1.32 H new ATOM 1004 N GLY A 71 -6.936 21.110 7.887 1.00 1.24 N ATOM 1005 CA GLY A 71 -7.429 21.599 9.161 1.00 5.02 C ATOM 1006 C GLY A 71 -8.403 22.750 9.002 1.00 71.44 C ATOM 1007 O GLY A 71 -8.223 23.814 9.596 1.00 15.43 O ATOM 0 H GLY A 71 -7.007 20.101 7.759 1.00 1.24 H new ATOM 0 HA2 GLY A 71 -7.918 20.784 9.695 1.00 5.02 H new ATOM 0 HA3 GLY A 71 -6.587 21.921 9.774 1.00 5.02 H new ATOM 1011 N THR A 72 -9.440 22.539 8.198 1.00 30.44 N ATOM 1012 CA THR A 72 -10.446 23.567 7.961 1.00 15.41 C ATOM 1013 C THR A 72 -11.855 23.006 8.119 1.00 14.33 C ATOM 1014 O THR A 72 -12.420 22.446 7.178 1.00 54.34 O ATOM 1015 CB THR A 72 -10.304 24.178 6.554 1.00 14.55 C ATOM 1016 OG1 THR A 72 -11.441 24.996 6.257 1.00 52.32 O ATOM 1017 CG2 THR A 72 -10.169 23.087 5.501 1.00 24.41 C ATOM 0 H THR A 72 -9.605 21.665 7.699 1.00 30.44 H new ATOM 0 HA THR A 72 -10.283 24.346 8.706 1.00 15.41 H new ATOM 0 HB THR A 72 -9.403 24.791 6.538 1.00 14.55 H new ATOM 0 HG1 THR A 72 -11.342 25.382 5.362 1.00 52.32 H new ATOM 0 HG21 THR A 72 -10.070 23.543 4.516 1.00 24.41 H new ATOM 0 HG22 THR A 72 -9.286 22.484 5.713 1.00 24.41 H new ATOM 0 HG23 THR A 72 -11.055 22.452 5.520 1.00 24.41 H new ATOM 1025 N LEU A 73 -12.416 23.158 9.312 1.00 44.33 N ATOM 1026 CA LEU A 73 -13.761 22.668 9.593 1.00 72.41 C ATOM 1027 C LEU A 73 -14.549 23.680 10.418 1.00 64.45 C ATOM 1028 O LEU A 73 -13.971 24.559 11.057 1.00 20.12 O ATOM 1029 CB LEU A 73 -13.693 21.332 10.335 1.00 74.42 C ATOM 1030 CG LEU A 73 -14.960 20.477 10.297 1.00 4.42 C ATOM 1031 CD1 LEU A 73 -14.669 19.119 9.677 1.00 3.01 C ATOM 1032 CD2 LEU A 73 -15.536 20.314 11.695 1.00 72.43 C ATOM 0 H LEU A 73 -11.961 23.617 10.101 1.00 44.33 H new ATOM 0 HA LEU A 73 -14.274 22.524 8.642 1.00 72.41 H new ATOM 0 HB2 LEU A 73 -12.873 20.749 9.917 1.00 74.42 H new ATOM 0 HB3 LEU A 73 -13.444 21.531 11.377 1.00 74.42 H new ATOM 0 HG LEU A 73 -15.699 20.985 9.678 1.00 4.42 H new ATOM 0 HD11 LEU A 73 -15.582 18.524 9.658 1.00 3.01 H new ATOM 0 HD12 LEU A 73 -14.303 19.255 8.659 1.00 3.01 H new ATOM 0 HD13 LEU A 73 -13.912 18.604 10.269 1.00 3.01 H new ATOM 0 HD21 LEU A 73 -16.437 19.703 11.648 1.00 72.43 H new ATOM 0 HD22 LEU A 73 -14.801 19.828 12.337 1.00 72.43 H new ATOM 0 HD23 LEU A 73 -15.783 21.294 12.103 1.00 72.43 H new ATOM 1044 N ALA A 74 -15.871 23.549 10.401 1.00 72.30 N ATOM 1045 CA ALA A 74 -16.738 24.449 11.150 1.00 63.44 C ATOM 1046 C ALA A 74 -16.796 24.057 12.623 1.00 55.23 C ATOM 1047 O ALA A 74 -16.451 22.940 13.007 1.00 24.53 O ATOM 1048 CB ALA A 74 -18.137 24.457 10.550 1.00 71.43 C ATOM 0 H ALA A 74 -16.365 22.827 9.876 1.00 72.30 H new ATOM 0 HA ALA A 74 -16.320 25.453 11.084 1.00 63.44 H new ATOM 0 HB1 ALA A 74 -18.774 25.134 11.120 1.00 71.43 H new ATOM 0 HB2 ALA A 74 -18.087 24.792 9.514 1.00 71.43 H new ATOM 0 HB3 ALA A 74 -18.554 23.451 10.586 1.00 71.43 H new ATOM 1054 N PRO A 75 -17.238 24.999 13.470 1.00 61.00 N ATOM 1055 CA PRO A 75 -17.350 24.774 14.914 1.00 60.01 C ATOM 1056 C PRO A 75 -18.465 23.795 15.264 1.00 70.41 C ATOM 1057 O PRO A 75 -18.448 23.173 16.326 1.00 10.45 O ATOM 1058 CB PRO A 75 -17.669 26.167 15.466 1.00 1.15 C ATOM 1059 CG PRO A 75 -18.313 26.885 14.331 1.00 21.53 C ATOM 1060 CD PRO A 75 -17.665 26.354 13.082 1.00 71.41 C ATOM 0 HA PRO A 75 -16.444 24.332 15.329 1.00 60.01 H new ATOM 0 HB2 PRO A 75 -18.335 26.109 16.327 1.00 1.15 H new ATOM 0 HB3 PRO A 75 -16.765 26.679 15.796 1.00 1.15 H new ATOM 0 HG2 PRO A 75 -19.388 26.708 14.318 1.00 21.53 H new ATOM 0 HG3 PRO A 75 -18.168 27.962 14.418 1.00 21.53 H new ATOM 0 HD2 PRO A 75 -18.363 26.331 12.245 1.00 71.41 H new ATOM 0 HD3 PRO A 75 -16.819 26.969 12.775 1.00 71.41 H new ATOM 1068 N GLY A 76 -19.435 23.662 14.364 1.00 42.43 N ATOM 1069 CA GLY A 76 -20.545 22.757 14.597 1.00 12.01 C ATOM 1070 C GLY A 76 -20.861 21.903 13.384 1.00 54.24 C ATOM 1071 O GLY A 76 -21.262 22.419 12.342 1.00 53.41 O ATOM 0 H GLY A 76 -19.472 24.165 13.478 1.00 42.43 H new ATOM 0 HA2 GLY A 76 -20.311 22.110 15.442 1.00 12.01 H new ATOM 0 HA3 GLY A 76 -21.428 23.333 14.872 1.00 12.01 H new ATOM 1075 N ALA A 77 -20.678 20.593 13.521 1.00 44.43 N ATOM 1076 CA ALA A 77 -20.947 19.668 12.428 1.00 71.20 C ATOM 1077 C ALA A 77 -20.668 18.228 12.847 1.00 61.21 C ATOM 1078 O ALA A 77 -20.135 17.979 13.928 1.00 72.12 O ATOM 1079 CB ALA A 77 -20.115 20.034 11.208 1.00 41.43 C ATOM 0 H ALA A 77 -20.345 20.150 14.377 1.00 44.43 H new ATOM 0 HA ALA A 77 -22.003 19.747 12.170 1.00 71.20 H new ATOM 0 HB1 ALA A 77 -20.327 19.334 10.400 1.00 41.43 H new ATOM 0 HB2 ALA A 77 -20.365 21.045 10.887 1.00 41.43 H new ATOM 0 HB3 ALA A 77 -19.056 19.985 11.462 1.00 41.43 H new ATOM 1085 N SER A 78 -21.031 17.284 11.985 1.00 24.20 N ATOM 1086 CA SER A 78 -20.824 15.870 12.268 1.00 30.55 C ATOM 1087 C SER A 78 -20.316 15.136 11.030 1.00 41.34 C ATOM 1088 O SER A 78 -20.867 15.280 9.939 1.00 65.04 O ATOM 1089 CB SER A 78 -22.125 15.228 12.756 1.00 43.11 C ATOM 1090 OG SER A 78 -22.883 14.724 11.670 1.00 24.04 O ATOM 0 H SER A 78 -21.470 17.474 11.084 1.00 24.20 H new ATOM 0 HA SER A 78 -20.071 15.790 13.052 1.00 30.55 H new ATOM 0 HB2 SER A 78 -21.897 14.420 13.451 1.00 43.11 H new ATOM 0 HB3 SER A 78 -22.714 15.963 13.304 1.00 43.11 H new ATOM 0 HG SER A 78 -23.708 14.318 12.008 1.00 24.04 H new ATOM 1096 N VAL A 79 -19.260 14.348 11.208 1.00 75.13 N ATOM 1097 CA VAL A 79 -18.677 13.591 10.107 1.00 52.35 C ATOM 1098 C VAL A 79 -18.278 12.190 10.555 1.00 60.31 C ATOM 1099 O VAL A 79 -17.367 12.022 11.365 1.00 34.13 O ATOM 1100 CB VAL A 79 -17.441 14.305 9.528 1.00 20.22 C ATOM 1101 CG1 VAL A 79 -16.905 13.550 8.321 1.00 72.32 C ATOM 1102 CG2 VAL A 79 -17.779 15.741 9.162 1.00 10.51 C ATOM 0 H VAL A 79 -18.791 14.218 12.104 1.00 75.13 H new ATOM 0 HA VAL A 79 -19.441 13.518 9.333 1.00 52.35 H new ATOM 0 HB VAL A 79 -16.662 14.322 10.290 1.00 20.22 H new ATOM 0 HG11 VAL A 79 -16.032 14.069 7.925 1.00 72.32 H new ATOM 0 HG12 VAL A 79 -16.622 12.540 8.619 1.00 72.32 H new ATOM 0 HG13 VAL A 79 -17.676 13.499 7.552 1.00 72.32 H new ATOM 0 HG21 VAL A 79 -16.894 16.230 8.755 1.00 10.51 H new ATOM 0 HG22 VAL A 79 -18.574 15.749 8.416 1.00 10.51 H new ATOM 0 HG23 VAL A 79 -18.111 16.275 10.052 1.00 10.51 H new ATOM 1112 N SER A 80 -18.966 11.185 10.022 1.00 41.45 N ATOM 1113 CA SER A 80 -18.686 9.797 10.368 1.00 31.40 C ATOM 1114 C SER A 80 -17.946 9.092 9.236 1.00 51.04 C ATOM 1115 O SER A 80 -18.444 9.004 8.114 1.00 20.22 O ATOM 1116 CB SER A 80 -19.987 9.055 10.682 1.00 32.51 C ATOM 1117 OG SER A 80 -20.642 8.651 9.492 1.00 21.33 O ATOM 0 H SER A 80 -19.722 11.307 9.348 1.00 41.45 H new ATOM 0 HA SER A 80 -18.050 9.791 11.253 1.00 31.40 H new ATOM 0 HB2 SER A 80 -19.772 8.181 11.297 1.00 32.51 H new ATOM 0 HB3 SER A 80 -20.646 9.700 11.263 1.00 32.51 H new ATOM 0 HG SER A 80 -20.134 8.966 8.716 1.00 21.33 H new ATOM 1123 N PHE A 81 -16.751 8.594 9.538 1.00 62.13 N ATOM 1124 CA PHE A 81 -15.940 7.899 8.545 1.00 33.51 C ATOM 1125 C PHE A 81 -15.977 6.390 8.775 1.00 11.42 C ATOM 1126 O PHE A 81 -16.050 5.925 9.911 1.00 24.14 O ATOM 1127 CB PHE A 81 -14.495 8.398 8.596 1.00 42.23 C ATOM 1128 CG PHE A 81 -13.730 7.902 9.790 1.00 71.53 C ATOM 1129 CD1 PHE A 81 -13.099 6.669 9.761 1.00 35.14 C ATOM 1130 CD2 PHE A 81 -13.643 8.668 10.942 1.00 13.51 C ATOM 1131 CE1 PHE A 81 -12.395 6.209 10.858 1.00 61.45 C ATOM 1132 CE2 PHE A 81 -12.940 8.214 12.042 1.00 3.54 C ATOM 1133 CZ PHE A 81 -12.315 6.983 12.000 1.00 2.42 C ATOM 0 H PHE A 81 -16.323 8.659 10.462 1.00 62.13 H new ATOM 0 HA PHE A 81 -16.355 8.110 7.560 1.00 33.51 H new ATOM 0 HB2 PHE A 81 -13.979 8.085 7.688 1.00 42.23 H new ATOM 0 HB3 PHE A 81 -14.496 9.488 8.602 1.00 42.23 H new ATOM 0 HD1 PHE A 81 -13.158 6.060 8.871 1.00 35.14 H new ATOM 0 HD2 PHE A 81 -14.130 9.631 10.980 1.00 13.51 H new ATOM 0 HE1 PHE A 81 -11.908 5.246 10.823 1.00 61.45 H new ATOM 0 HE2 PHE A 81 -12.879 8.821 12.933 1.00 3.54 H new ATOM 0 HZ PHE A 81 -11.765 6.626 12.858 1.00 2.42 H new ATOM 1143 N GLY A 82 -15.925 5.630 7.684 1.00 45.32 N ATOM 1144 CA GLY A 82 -15.954 4.184 7.786 1.00 21.03 C ATOM 1145 C GLY A 82 -14.664 3.543 7.312 1.00 23.54 C ATOM 1146 O GLY A 82 -13.782 4.222 6.787 1.00 72.32 O ATOM 0 H GLY A 82 -15.863 5.991 6.732 1.00 45.32 H new ATOM 0 HA2 GLY A 82 -16.138 3.900 8.822 1.00 21.03 H new ATOM 0 HA3 GLY A 82 -16.786 3.798 7.197 1.00 21.03 H new ATOM 1150 N PHE A 83 -14.554 2.232 7.498 1.00 34.43 N ATOM 1151 CA PHE A 83 -13.362 1.500 7.088 1.00 32.35 C ATOM 1152 C PHE A 83 -13.589 -0.007 7.181 1.00 4.20 C ATOM 1153 O PHE A 83 -14.642 -0.459 7.630 1.00 54.11 O ATOM 1154 CB PHE A 83 -12.167 1.900 7.957 1.00 43.14 C ATOM 1155 CG PHE A 83 -12.218 1.329 9.346 1.00 10.42 C ATOM 1156 CD1 PHE A 83 -11.697 0.073 9.611 1.00 21.14 C ATOM 1157 CD2 PHE A 83 -12.784 2.048 10.385 1.00 45.44 C ATOM 1158 CE1 PHE A 83 -11.743 -0.455 10.887 1.00 11.12 C ATOM 1159 CE2 PHE A 83 -12.832 1.526 11.663 1.00 32.33 C ATOM 1160 CZ PHE A 83 -12.310 0.272 11.915 1.00 51.23 C ATOM 0 H PHE A 83 -15.276 1.655 7.930 1.00 34.43 H new ATOM 0 HA PHE A 83 -13.150 1.755 6.050 1.00 32.35 H new ATOM 0 HB2 PHE A 83 -11.248 1.571 7.471 1.00 43.14 H new ATOM 0 HB3 PHE A 83 -12.122 2.987 8.021 1.00 43.14 H new ATOM 0 HD1 PHE A 83 -11.250 -0.500 8.812 1.00 21.14 H new ATOM 0 HD2 PHE A 83 -13.193 3.029 10.194 1.00 45.44 H new ATOM 0 HE1 PHE A 83 -11.335 -1.436 11.080 1.00 11.12 H new ATOM 0 HE2 PHE A 83 -13.277 2.097 12.464 1.00 32.33 H new ATOM 0 HZ PHE A 83 -12.345 -0.139 12.913 1.00 51.23 H new ATOM 1170 N ASN A 84 -12.595 -0.776 6.751 1.00 34.42 N ATOM 1171 CA ASN A 84 -12.687 -2.232 6.784 1.00 60.33 C ATOM 1172 C ASN A 84 -11.550 -2.830 7.609 1.00 71.01 C ATOM 1173 O ASN A 84 -10.405 -2.393 7.514 1.00 53.20 O ATOM 1174 CB ASN A 84 -12.654 -2.799 5.364 1.00 41.13 C ATOM 1175 CG ASN A 84 -14.011 -3.301 4.910 1.00 22.44 C ATOM 1176 OD1 ASN A 84 -14.114 -4.334 4.248 1.00 53.24 O ATOM 1177 ND2 ASN A 84 -15.061 -2.571 5.266 1.00 61.22 N ATOM 0 H ASN A 84 -11.717 -0.417 6.376 1.00 34.42 H new ATOM 0 HA ASN A 84 -13.634 -2.501 7.253 1.00 60.33 H new ATOM 0 HB2 ASN A 84 -12.306 -2.028 4.676 1.00 41.13 H new ATOM 0 HB3 ASN A 84 -11.934 -3.616 5.319 1.00 41.13 H new ATOM 0 HD21 ASN A 84 -16.000 -2.860 4.991 1.00 61.22 H new ATOM 0 HD22 ASN A 84 -14.929 -1.722 5.815 1.00 61.22 H new ATOM 1184 N GLY A 85 -11.877 -3.834 8.418 1.00 44.11 N ATOM 1185 CA GLY A 85 -10.874 -4.475 9.246 1.00 31.24 C ATOM 1186 C GLY A 85 -11.097 -5.969 9.373 1.00 73.41 C ATOM 1187 O GLY A 85 -12.181 -6.470 9.075 1.00 62.21 O ATOM 0 H GLY A 85 -12.819 -4.214 8.514 1.00 44.11 H new ATOM 0 HA2 GLY A 85 -9.886 -4.293 8.822 1.00 31.24 H new ATOM 0 HA3 GLY A 85 -10.883 -4.024 10.238 1.00 31.24 H new ATOM 1191 N SER A 86 -10.067 -6.684 9.816 1.00 74.23 N ATOM 1192 CA SER A 86 -10.154 -8.131 9.978 1.00 33.21 C ATOM 1193 C SER A 86 -10.012 -8.524 11.445 1.00 53.34 C ATOM 1194 O SER A 86 -8.933 -8.418 12.026 1.00 41.34 O ATOM 1195 CB SER A 86 -9.072 -8.823 9.146 1.00 25.25 C ATOM 1196 OG SER A 86 -9.480 -10.127 8.764 1.00 71.24 O ATOM 0 H SER A 86 -9.163 -6.285 10.069 1.00 74.23 H new ATOM 0 HA SER A 86 -11.135 -8.453 9.628 1.00 33.21 H new ATOM 0 HB2 SER A 86 -8.857 -8.230 8.257 1.00 25.25 H new ATOM 0 HB3 SER A 86 -8.148 -8.881 9.721 1.00 25.25 H new ATOM 0 HG SER A 86 -8.773 -10.548 8.232 1.00 71.24 H new ATOM 1202 N GLY A 87 -11.111 -8.977 12.039 1.00 34.51 N ATOM 1203 CA GLY A 87 -11.089 -9.379 13.434 1.00 31.54 C ATOM 1204 C GLY A 87 -12.464 -9.338 14.071 1.00 1.53 C ATOM 1205 O GLY A 87 -13.489 -9.361 13.389 1.00 4.42 O ATOM 0 H GLY A 87 -12.017 -9.073 11.580 1.00 34.51 H new ATOM 0 HA2 GLY A 87 -10.686 -10.389 13.512 1.00 31.54 H new ATOM 0 HA3 GLY A 87 -10.416 -8.724 13.987 1.00 31.54 H new ATOM 1209 N PRO A 88 -12.499 -9.278 15.410 1.00 41.01 N ATOM 1210 CA PRO A 88 -13.752 -9.234 16.168 1.00 73.53 C ATOM 1211 C PRO A 88 -14.490 -7.911 15.992 1.00 70.11 C ATOM 1212 O PRO A 88 -15.719 -7.877 15.938 1.00 73.43 O ATOM 1213 CB PRO A 88 -13.295 -9.402 17.619 1.00 71.15 C ATOM 1214 CG PRO A 88 -11.890 -8.906 17.635 1.00 3.41 C ATOM 1215 CD PRO A 88 -11.316 -9.248 16.287 1.00 31.01 C ATOM 0 HA PRO A 88 -14.455 -9.998 15.837 1.00 73.53 H new ATOM 0 HB2 PRO A 88 -13.924 -8.830 18.301 1.00 71.15 H new ATOM 0 HB3 PRO A 88 -13.350 -10.444 17.933 1.00 71.15 H new ATOM 0 HG2 PRO A 88 -11.857 -7.831 17.812 1.00 3.41 H new ATOM 0 HG3 PRO A 88 -11.318 -9.378 18.434 1.00 3.41 H new ATOM 0 HD2 PRO A 88 -10.591 -8.503 15.958 1.00 31.01 H new ATOM 0 HD3 PRO A 88 -10.802 -10.209 16.301 1.00 31.01 H new ATOM 1223 N GLY A 89 -13.731 -6.823 15.903 1.00 10.11 N ATOM 1224 CA GLY A 89 -14.331 -5.512 15.733 1.00 23.44 C ATOM 1225 C GLY A 89 -14.665 -4.852 17.056 1.00 62.22 C ATOM 1226 O GLY A 89 -15.574 -4.025 17.133 1.00 54.30 O ATOM 0 H GLY A 89 -12.712 -6.826 15.946 1.00 10.11 H new ATOM 0 HA2 GLY A 89 -13.648 -4.873 15.174 1.00 23.44 H new ATOM 0 HA3 GLY A 89 -15.239 -5.606 15.138 1.00 23.44 H new ATOM 1230 N SER A 90 -13.931 -5.219 18.101 1.00 34.12 N ATOM 1231 CA SER A 90 -14.157 -4.661 19.429 1.00 24.21 C ATOM 1232 C SER A 90 -12.981 -3.791 19.861 1.00 3.52 C ATOM 1233 O SER A 90 -12.141 -4.194 20.665 1.00 63.14 O ATOM 1234 CB SER A 90 -14.378 -5.782 20.446 1.00 24.33 C ATOM 1235 OG SER A 90 -13.785 -6.992 20.008 1.00 12.51 O ATOM 0 H SER A 90 -13.174 -5.901 18.054 1.00 34.12 H new ATOM 0 HA SER A 90 -15.050 -4.038 19.386 1.00 24.21 H new ATOM 0 HB2 SER A 90 -13.955 -5.493 21.408 1.00 24.33 H new ATOM 0 HB3 SER A 90 -15.447 -5.932 20.600 1.00 24.33 H new ATOM 0 HG SER A 90 -13.939 -7.692 20.676 1.00 12.51 H new ATOM 1241 N PRO A 91 -12.917 -2.568 19.313 1.00 44.01 N ATOM 1242 CA PRO A 91 -11.849 -1.614 19.626 1.00 31.52 C ATOM 1243 C PRO A 91 -11.950 -1.079 21.050 1.00 60.32 C ATOM 1244 O PRO A 91 -12.995 -1.183 21.690 1.00 65.43 O ATOM 1245 CB PRO A 91 -12.071 -0.488 18.614 1.00 31.15 C ATOM 1246 CG PRO A 91 -13.519 -0.566 18.272 1.00 40.44 C ATOM 1247 CD PRO A 91 -13.885 -2.022 18.346 1.00 72.41 C ATOM 0 HA PRO A 91 -10.862 -2.072 19.564 1.00 31.52 H new ATOM 0 HB2 PRO A 91 -11.817 0.483 19.040 1.00 31.15 H new ATOM 0 HB3 PRO A 91 -11.448 -0.622 17.730 1.00 31.15 H new ATOM 0 HG2 PRO A 91 -14.117 0.022 18.968 1.00 40.44 H new ATOM 0 HG3 PRO A 91 -13.706 -0.167 17.275 1.00 40.44 H new ATOM 0 HD2 PRO A 91 -14.912 -2.162 18.683 1.00 72.41 H new ATOM 0 HD3 PRO A 91 -13.800 -2.508 17.374 1.00 72.41 H new ATOM 1255 N SER A 92 -10.856 -0.504 21.540 1.00 72.10 N ATOM 1256 CA SER A 92 -10.820 0.045 22.890 1.00 64.11 C ATOM 1257 C SER A 92 -9.938 1.290 22.947 1.00 4.15 C ATOM 1258 O SER A 92 -9.314 1.666 21.956 1.00 73.13 O ATOM 1259 CB SER A 92 -10.305 -1.004 23.877 1.00 65.14 C ATOM 1260 OG SER A 92 -10.340 -2.300 23.308 1.00 21.35 O ATOM 0 H SER A 92 -9.983 -0.406 21.022 1.00 72.10 H new ATOM 0 HA SER A 92 -11.836 0.327 23.168 1.00 64.11 H new ATOM 0 HB2 SER A 92 -9.284 -0.760 24.172 1.00 65.14 H new ATOM 0 HB3 SER A 92 -10.911 -0.985 24.782 1.00 65.14 H new ATOM 0 HG SER A 92 -10.004 -2.952 23.958 1.00 21.35 H new ATOM 1266 N ASN A 93 -9.895 1.923 24.114 1.00 72.44 N ATOM 1267 CA ASN A 93 -9.092 3.126 24.302 1.00 2.43 C ATOM 1268 C ASN A 93 -9.441 4.182 23.258 1.00 60.40 C ATOM 1269 O ASN A 93 -8.556 4.807 22.671 1.00 24.15 O ATOM 1270 CB ASN A 93 -7.601 2.786 24.221 1.00 64.52 C ATOM 1271 CG ASN A 93 -7.063 2.233 25.526 1.00 63.24 C ATOM 1272 OD1 ASN A 93 -6.752 2.985 26.451 1.00 13.54 O ATOM 1273 ND2 ASN A 93 -6.951 0.913 25.608 1.00 55.54 N ATOM 0 H ASN A 93 -10.407 1.623 24.944 1.00 72.44 H new ATOM 0 HA ASN A 93 -9.314 3.530 25.290 1.00 2.43 H new ATOM 0 HB2 ASN A 93 -7.440 2.057 23.427 1.00 64.52 H new ATOM 0 HB3 ASN A 93 -7.041 3.681 23.950 1.00 64.52 H new ATOM 0 HD21 ASN A 93 -6.595 0.483 26.462 1.00 55.54 H new ATOM 0 HD22 ASN A 93 -7.221 0.328 24.817 1.00 55.54 H new ATOM 1280 N CYS A 94 -10.736 4.377 23.032 1.00 31.02 N ATOM 1281 CA CYS A 94 -11.203 5.358 22.059 1.00 31.12 C ATOM 1282 C CYS A 94 -10.824 6.771 22.487 1.00 52.31 C ATOM 1283 O CYS A 94 -11.470 7.366 23.350 1.00 42.22 O ATOM 1284 CB CYS A 94 -12.719 5.253 21.886 1.00 73.14 C ATOM 1285 SG CYS A 94 -13.429 6.524 20.814 1.00 53.42 S ATOM 0 H CYS A 94 -11.481 3.869 23.509 1.00 31.02 H new ATOM 0 HA CYS A 94 -10.720 5.146 21.105 1.00 31.12 H new ATOM 0 HB2 CYS A 94 -12.960 4.272 21.477 1.00 73.14 H new ATOM 0 HB3 CYS A 94 -13.191 5.315 22.867 1.00 73.14 H new ATOM 0 HG CYS A 94 -13.959 7.461 21.543 1.00 53.42 H new ATOM 1291 N LYS A 95 -9.769 7.305 21.879 1.00 23.02 N ATOM 1292 CA LYS A 95 -9.302 8.649 22.196 1.00 70.22 C ATOM 1293 C LYS A 95 -9.269 9.524 20.946 1.00 25.44 C ATOM 1294 O LYS A 95 -8.956 9.050 19.853 1.00 42.42 O ATOM 1295 CB LYS A 95 -7.908 8.591 22.826 1.00 42.02 C ATOM 1296 CG LYS A 95 -7.929 8.380 24.330 1.00 35.51 C ATOM 1297 CD LYS A 95 -8.159 6.920 24.685 1.00 11.52 C ATOM 1298 CE LYS A 95 -8.006 6.679 26.179 1.00 14.44 C ATOM 1299 NZ LYS A 95 -9.239 6.097 26.775 1.00 21.50 N ATOM 0 H LYS A 95 -9.222 6.827 21.164 1.00 23.02 H new ATOM 0 HA LYS A 95 -9.999 9.090 22.908 1.00 70.22 H new ATOM 0 HB2 LYS A 95 -7.342 7.783 22.362 1.00 42.02 H new ATOM 0 HB3 LYS A 95 -7.380 9.518 22.605 1.00 42.02 H new ATOM 0 HG2 LYS A 95 -6.985 8.715 24.759 1.00 35.51 H new ATOM 0 HG3 LYS A 95 -8.715 8.991 24.773 1.00 35.51 H new ATOM 0 HD2 LYS A 95 -9.158 6.620 24.367 1.00 11.52 H new ATOM 0 HD3 LYS A 95 -7.451 6.296 24.140 1.00 11.52 H new ATOM 0 HE2 LYS A 95 -7.166 6.007 26.354 1.00 14.44 H new ATOM 0 HE3 LYS A 95 -7.771 7.620 26.677 1.00 14.44 H new ATOM 0 HZ1 LYS A 95 -8.981 5.472 27.565 1.00 21.50 H new ATOM 0 HZ2 LYS A 95 -9.850 6.862 27.125 1.00 21.50 H new ATOM 0 HZ3 LYS A 95 -9.749 5.550 26.052 1.00 21.50 H new ATOM 1313 N LEU A 96 -9.597 10.800 21.115 1.00 55.30 N ATOM 1314 CA LEU A 96 -9.603 11.741 19.999 1.00 63.44 C ATOM 1315 C LEU A 96 -9.418 13.172 20.494 1.00 30.12 C ATOM 1316 O LEU A 96 -9.771 13.499 21.626 1.00 31.20 O ATOM 1317 CB LEU A 96 -10.913 11.625 19.217 1.00 54.04 C ATOM 1318 CG LEU A 96 -12.113 12.369 19.804 1.00 21.02 C ATOM 1319 CD1 LEU A 96 -12.347 13.675 19.062 1.00 5.41 C ATOM 1320 CD2 LEU A 96 -13.358 11.495 19.753 1.00 63.24 C ATOM 0 H LEU A 96 -9.862 11.207 22.012 1.00 55.30 H new ATOM 0 HA LEU A 96 -8.770 11.493 19.341 1.00 63.44 H new ATOM 0 HB2 LEU A 96 -10.743 11.992 18.205 1.00 54.04 H new ATOM 0 HB3 LEU A 96 -11.171 10.569 19.134 1.00 54.04 H new ATOM 0 HG LEU A 96 -11.897 12.601 20.847 1.00 21.02 H new ATOM 0 HD11 LEU A 96 -13.205 14.190 19.494 1.00 5.41 H new ATOM 0 HD12 LEU A 96 -11.463 14.306 19.149 1.00 5.41 H new ATOM 0 HD13 LEU A 96 -12.541 13.466 18.010 1.00 5.41 H new ATOM 0 HD21 LEU A 96 -14.203 12.040 20.175 1.00 63.24 H new ATOM 0 HD22 LEU A 96 -13.576 11.232 18.718 1.00 63.24 H new ATOM 0 HD23 LEU A 96 -13.188 10.586 20.330 1.00 63.24 H new ATOM 1332 N ASN A 97 -8.865 14.023 19.635 1.00 35.22 N ATOM 1333 CA ASN A 97 -8.634 15.420 19.984 1.00 31.12 C ATOM 1334 C ASN A 97 -7.733 15.532 21.211 1.00 63.23 C ATOM 1335 O ASN A 97 -8.067 16.216 22.178 1.00 24.24 O ATOM 1336 CB ASN A 97 -9.964 16.127 20.247 1.00 65.23 C ATOM 1337 CG ASN A 97 -10.644 16.575 18.968 1.00 64.01 C ATOM 1338 OD1 ASN A 97 -10.183 16.271 17.867 1.00 71.40 O ATOM 1339 ND2 ASN A 97 -11.746 17.303 19.107 1.00 2.55 N ATOM 0 H ASN A 97 -8.569 13.769 18.693 1.00 35.22 H new ATOM 0 HA ASN A 97 -8.134 15.902 19.144 1.00 31.12 H new ATOM 0 HB2 ASN A 97 -10.628 15.456 20.792 1.00 65.23 H new ATOM 0 HB3 ASN A 97 -9.792 16.993 20.886 1.00 65.23 H new ATOM 0 HD21 ASN A 97 -12.246 17.634 18.282 1.00 2.55 H new ATOM 0 HD22 ASN A 97 -12.092 17.531 20.039 1.00 2.55 H new ATOM 1346 N GLY A 98 -6.589 14.858 21.163 1.00 23.34 N ATOM 1347 CA GLY A 98 -5.658 14.896 22.275 1.00 72.01 C ATOM 1348 C GLY A 98 -6.139 14.085 23.462 1.00 23.13 C ATOM 1349 O GLY A 98 -6.009 14.512 24.609 1.00 13.24 O ATOM 0 H GLY A 98 -6.290 14.286 20.373 1.00 23.34 H new ATOM 0 HA2 GLY A 98 -4.690 14.516 21.948 1.00 72.01 H new ATOM 0 HA3 GLY A 98 -5.507 15.931 22.583 1.00 72.01 H new ATOM 1353 N GLY A 99 -6.700 12.911 23.188 1.00 4.44 N ATOM 1354 CA GLY A 99 -7.197 12.059 24.252 1.00 14.24 C ATOM 1355 C GLY A 99 -8.385 12.663 24.972 1.00 53.12 C ATOM 1356 O GLY A 99 -8.283 13.047 26.137 1.00 63.13 O ATOM 0 H GLY A 99 -6.819 12.535 22.247 1.00 4.44 H new ATOM 0 HA2 GLY A 99 -7.481 11.092 23.836 1.00 14.24 H new ATOM 0 HA3 GLY A 99 -6.397 11.875 24.969 1.00 14.24 H new ATOM 1360 N SER A 100 -9.515 12.749 24.278 1.00 3.51 N ATOM 1361 CA SER A 100 -10.727 13.317 24.857 1.00 32.33 C ATOM 1362 C SER A 100 -11.968 12.789 24.143 1.00 44.24 C ATOM 1363 O SER A 100 -12.280 13.208 23.027 1.00 34.44 O ATOM 1364 CB SER A 100 -10.689 14.843 24.779 1.00 42.21 C ATOM 1365 OG SER A 100 -9.828 15.384 25.766 1.00 60.51 O ATOM 0 H SER A 100 -9.617 12.433 23.314 1.00 3.51 H new ATOM 0 HA SER A 100 -10.776 13.017 25.904 1.00 32.33 H new ATOM 0 HB2 SER A 100 -10.351 15.151 23.789 1.00 42.21 H new ATOM 0 HB3 SER A 100 -11.695 15.242 24.911 1.00 42.21 H new ATOM 0 HG SER A 100 -9.280 14.668 26.150 1.00 60.51 H new ATOM 1371 N CYS A 101 -12.673 11.871 24.794 1.00 75.30 N ATOM 1372 CA CYS A 101 -13.880 11.285 24.222 1.00 43.32 C ATOM 1373 C CYS A 101 -14.828 10.813 25.320 1.00 54.40 C ATOM 1374 O CYS A 101 -14.524 9.870 26.052 1.00 11.14 O ATOM 1375 CB CYS A 101 -13.520 10.117 23.304 1.00 40.41 C ATOM 1376 SG CYS A 101 -14.950 9.226 22.648 1.00 34.22 S ATOM 0 H CYS A 101 -12.430 11.516 25.719 1.00 75.30 H new ATOM 0 HA CYS A 101 -14.385 12.054 23.637 1.00 43.32 H new ATOM 0 HB2 CYS A 101 -12.926 10.493 22.471 1.00 40.41 H new ATOM 0 HB3 CYS A 101 -12.890 9.417 23.854 1.00 40.41 H new ATOM 0 HG CYS A 101 -15.738 8.891 23.626 1.00 34.22 H new