USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 673 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 90 SER OG : rot 27:sc= -0.265 USER MOD Set 1.2: A 95 ASN : amide:sc= 0 X(o=-0.26,f=-0.5) USER MOD Set 2.1: A 68 HIS : no HD1:sc= -9.31! C(o=-17!,f=-16!) USER MOD Set 2.2: A 75 ASN : amide:sc= -7.51! C(o=-17!,f=-23!) USER MOD Set 3.1: A 28 ASN : amide:sc= -1.42 K(o=-2.4,f=-5.7!) USER MOD Set 3.2: A 81 THR OG1 : rot -110:sc= -0.96 USER MOD Single : A 1 ALA N :NH3+ 171:sc= 0 (180deg=-0.0752) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 42:sc= 0.183 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -1:sc= 0.961 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.7!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -4.96! C(o=-5!,f=-4.1!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.636 K(o=-0.64,f=-0.054) USER MOD Single : A 53 THR OG1 : rot -160:sc= -2.35 USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= -3.02! (180deg=-4.36!) USER MOD Single : A 57 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-5.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -139:sc= -7.32! (180deg=-11.9!) USER MOD Single : A 63 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.9!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 31:sc= 0.395 USER MOD Single : A 67 GLN : amide:sc= -3.56! C(o=-3.6!,f=-3.4!) USER MOD Single : A 72 ASN : amide:sc= -3.23! C(o=-3.2!,f=-4.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 61:sc= 0.0274 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.426 X(o=-0.43,f=-0.53) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0436 USER MOD Single : A 88 ASN : amide:sc= -3.61! C(o=-3.6!,f=-8.3!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 82:sc= 0.284 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.0646 K(o=0.065,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.778 0.920 29.753 1.00 42.45 N ATOM 2 CA ALA A 1 14.012 1.685 29.620 1.00 22.24 C ATOM 3 C ALA A 1 14.783 1.271 28.372 1.00 64.03 C ATOM 4 O ALA A 1 16.006 1.130 28.402 1.00 5.13 O ATOM 5 CB ALA A 1 14.877 1.509 30.860 1.00 41.02 C ATOM 0 H1 ALA A 1 12.350 1.110 30.682 1.00 42.45 H new ATOM 0 H2 ALA A 1 12.114 1.199 29.003 1.00 42.45 H new ATOM 0 H3 ALA A 1 12.988 -0.095 29.669 1.00 42.45 H new ATOM 0 HA ALA A 1 13.749 2.738 29.519 1.00 22.24 H new ATOM 0 HB1 ALA A 1 15.795 2.085 30.748 1.00 41.02 H new ATOM 0 HB2 ALA A 1 14.333 1.861 31.736 1.00 41.02 H new ATOM 0 HB3 ALA A 1 15.123 0.455 30.985 1.00 41.02 H new ATOM 11 N THR A 2 14.061 1.076 27.273 1.00 51.42 N ATOM 12 CA THR A 2 14.677 0.677 26.014 1.00 71.21 C ATOM 13 C THR A 2 14.457 1.731 24.935 1.00 75.21 C ATOM 14 O THR A 2 13.404 2.365 24.859 1.00 42.33 O ATOM 15 CB THR A 2 14.121 -0.672 25.519 1.00 14.24 C ATOM 16 OG1 THR A 2 12.703 -0.580 25.336 1.00 4.43 O ATOM 17 CG2 THR A 2 14.438 -1.783 26.508 1.00 31.43 C ATOM 0 H THR A 2 13.048 1.188 27.230 1.00 51.42 H new ATOM 0 HA THR A 2 15.745 0.574 26.204 1.00 71.21 H new ATOM 0 HB THR A 2 14.596 -0.908 24.567 1.00 14.24 H new ATOM 0 HG1 THR A 2 12.357 -1.441 25.020 1.00 4.43 H new ATOM 0 HG21 THR A 2 14.036 -2.726 26.137 1.00 31.43 H new ATOM 0 HG22 THR A 2 15.518 -1.870 26.624 1.00 31.43 H new ATOM 0 HG23 THR A 2 13.987 -1.551 27.473 1.00 31.43 H new ATOM 25 N PRO A 3 15.471 1.923 24.079 1.00 40.52 N ATOM 26 CA PRO A 3 15.411 2.900 22.987 1.00 31.11 C ATOM 27 C PRO A 3 14.436 2.485 21.891 1.00 73.41 C ATOM 28 O PRO A 3 13.619 3.286 21.435 1.00 33.44 O ATOM 29 CB PRO A 3 16.844 2.919 22.449 1.00 12.00 C ATOM 30 CG PRO A 3 17.401 1.585 22.808 1.00 71.35 C ATOM 31 CD PRO A 3 16.755 1.203 24.110 1.00 34.44 C ATOM 0 HA PRO A 3 15.057 3.872 23.329 1.00 31.11 H new ATOM 0 HB2 PRO A 3 16.860 3.078 21.371 1.00 12.00 H new ATOM 0 HB3 PRO A 3 17.425 3.725 22.898 1.00 12.00 H new ATOM 0 HG2 PRO A 3 17.183 0.850 22.034 1.00 71.35 H new ATOM 0 HG3 PRO A 3 18.485 1.629 22.909 1.00 71.35 H new ATOM 0 HD2 PRO A 3 16.610 0.125 24.185 1.00 34.44 H new ATOM 0 HD3 PRO A 3 17.363 1.503 24.963 1.00 34.44 H new ATOM 39 N THR A 4 14.526 1.227 21.470 1.00 32.54 N ATOM 40 CA THR A 4 13.652 0.705 20.427 1.00 21.01 C ATOM 41 C THR A 4 12.552 -0.170 21.018 1.00 42.15 C ATOM 42 O THR A 4 12.754 -0.883 22.001 1.00 55.20 O ATOM 43 CB THR A 4 14.443 -0.114 19.390 1.00 72.42 C ATOM 44 OG1 THR A 4 15.086 -1.223 20.028 1.00 34.32 O ATOM 45 CG2 THR A 4 15.484 0.751 18.696 1.00 11.11 C ATOM 0 H THR A 4 15.196 0.551 21.836 1.00 32.54 H new ATOM 0 HA THR A 4 13.201 1.565 19.932 1.00 21.01 H new ATOM 0 HB THR A 4 13.742 -0.483 18.641 1.00 72.42 H new ATOM 0 HG1 THR A 4 15.585 -1.739 19.361 1.00 34.32 H new ATOM 0 HG21 THR A 4 16.030 0.150 17.968 1.00 11.11 H new ATOM 0 HG22 THR A 4 14.989 1.577 18.186 1.00 11.11 H new ATOM 0 HG23 THR A 4 16.180 1.146 19.436 1.00 11.11 H new ATOM 53 N PRO A 5 11.360 -0.117 20.405 1.00 62.21 N ATOM 54 CA PRO A 5 10.205 -0.900 20.853 1.00 73.33 C ATOM 55 C PRO A 5 10.381 -2.393 20.595 1.00 11.21 C ATOM 56 O PRO A 5 11.437 -2.835 20.142 1.00 71.35 O ATOM 57 CB PRO A 5 9.052 -0.345 20.012 1.00 45.12 C ATOM 58 CG PRO A 5 9.705 0.199 18.788 1.00 53.21 C ATOM 59 CD PRO A 5 11.049 0.710 19.227 1.00 12.44 C ATOM 0 HA PRO A 5 10.047 -0.814 21.928 1.00 73.33 H new ATOM 0 HB2 PRO A 5 8.332 -1.125 19.764 1.00 45.12 H new ATOM 0 HB3 PRO A 5 8.508 0.432 20.549 1.00 45.12 H new ATOM 0 HG2 PRO A 5 9.811 -0.574 18.026 1.00 53.21 H new ATOM 0 HG3 PRO A 5 9.108 0.999 18.350 1.00 53.21 H new ATOM 0 HD2 PRO A 5 11.799 0.593 18.444 1.00 12.44 H new ATOM 0 HD3 PRO A 5 11.013 1.770 19.478 1.00 12.44 H new ATOM 67 N THR A 6 9.340 -3.166 20.887 1.00 74.22 N ATOM 68 CA THR A 6 9.380 -4.609 20.687 1.00 34.35 C ATOM 69 C THR A 6 8.884 -4.986 19.296 1.00 35.22 C ATOM 70 O THR A 6 7.743 -4.711 18.922 1.00 63.31 O ATOM 71 CB THR A 6 8.530 -5.346 21.740 1.00 13.31 C ATOM 72 OG1 THR A 6 7.227 -4.755 21.818 1.00 25.45 O ATOM 73 CG2 THR A 6 9.198 -5.296 23.106 1.00 74.10 C ATOM 0 H THR A 6 8.459 -2.817 21.263 1.00 74.22 H new ATOM 0 HA THR A 6 10.421 -4.914 20.793 1.00 34.35 H new ATOM 0 HB THR A 6 8.438 -6.389 21.436 1.00 13.31 H new ATOM 0 HG1 THR A 6 6.905 -4.553 20.915 1.00 25.45 H new ATOM 0 HG21 THR A 6 8.580 -5.823 23.833 1.00 74.10 H new ATOM 0 HG22 THR A 6 10.177 -5.772 23.050 1.00 74.10 H new ATOM 0 HG23 THR A 6 9.317 -4.258 23.415 1.00 74.10 H new ATOM 81 N PRO A 7 9.758 -5.631 18.510 1.00 71.50 N ATOM 82 CA PRO A 7 9.430 -6.061 17.147 1.00 32.14 C ATOM 83 C PRO A 7 8.419 -7.203 17.127 1.00 2.20 C ATOM 84 O PRO A 7 7.873 -7.581 18.164 1.00 62.24 O ATOM 85 CB PRO A 7 10.776 -6.529 16.589 1.00 2.21 C ATOM 86 CG PRO A 7 11.569 -6.918 17.789 1.00 42.42 C ATOM 87 CD PRO A 7 11.134 -5.992 18.891 1.00 51.12 C ATOM 0 HA PRO A 7 8.968 -5.262 16.568 1.00 32.14 H new ATOM 0 HB2 PRO A 7 10.651 -7.370 15.907 1.00 2.21 H new ATOM 0 HB3 PRO A 7 11.270 -5.735 16.028 1.00 2.21 H new ATOM 0 HG2 PRO A 7 11.385 -7.958 18.058 1.00 42.42 H new ATOM 0 HG3 PRO A 7 12.638 -6.822 17.598 1.00 42.42 H new ATOM 0 HD2 PRO A 7 11.166 -6.482 19.864 1.00 51.12 H new ATOM 0 HD3 PRO A 7 11.777 -5.114 18.955 1.00 51.12 H new ATOM 95 N LYS A 8 8.174 -7.749 15.941 1.00 43.12 N ATOM 96 CA LYS A 8 7.230 -8.849 15.785 1.00 64.24 C ATOM 97 C LYS A 8 7.763 -9.888 14.803 1.00 41.23 C ATOM 98 O LYS A 8 8.099 -9.564 13.664 1.00 22.11 O ATOM 99 CB LYS A 8 5.877 -8.323 15.302 1.00 11.31 C ATOM 100 CG LYS A 8 5.817 -8.083 13.803 1.00 11.45 C ATOM 101 CD LYS A 8 4.459 -7.549 13.378 1.00 21.41 C ATOM 102 CE LYS A 8 4.514 -6.059 13.079 1.00 64.24 C ATOM 103 NZ LYS A 8 4.266 -5.773 11.639 1.00 74.35 N ATOM 0 H LYS A 8 8.617 -7.447 15.073 1.00 43.12 H new ATOM 0 HA LYS A 8 7.102 -9.325 16.757 1.00 64.24 H new ATOM 0 HB2 LYS A 8 5.100 -9.036 15.579 1.00 11.31 H new ATOM 0 HB3 LYS A 8 5.653 -7.390 15.820 1.00 11.31 H new ATOM 0 HG2 LYS A 8 6.594 -7.374 13.516 1.00 11.45 H new ATOM 0 HG3 LYS A 8 6.024 -9.014 13.276 1.00 11.45 H new ATOM 0 HD2 LYS A 8 4.116 -8.086 12.494 1.00 21.41 H new ATOM 0 HD3 LYS A 8 3.730 -7.736 14.167 1.00 21.41 H new ATOM 0 HE2 LYS A 8 3.772 -5.539 13.685 1.00 64.24 H new ATOM 0 HE3 LYS A 8 5.490 -5.667 13.364 1.00 64.24 H new ATOM 0 HZ1 LYS A 8 4.312 -4.747 11.476 1.00 74.35 H new ATOM 0 HZ2 LYS A 8 4.989 -6.248 11.061 1.00 74.35 H new ATOM 0 HZ3 LYS A 8 3.324 -6.124 11.373 1.00 74.35 H new ATOM 117 N ALA A 9 7.836 -11.137 15.251 1.00 12.21 N ATOM 118 CA ALA A 9 8.324 -12.223 14.411 1.00 41.05 C ATOM 119 C ALA A 9 7.879 -13.578 14.951 1.00 52.35 C ATOM 120 O ALA A 9 7.522 -13.703 16.121 1.00 15.24 O ATOM 121 CB ALA A 9 9.841 -12.167 14.305 1.00 71.53 C ATOM 0 H ALA A 9 7.563 -11.422 16.192 1.00 12.21 H new ATOM 0 HA ALA A 9 7.896 -12.100 13.416 1.00 41.05 H new ATOM 0 HB1 ALA A 9 10.192 -12.984 13.675 1.00 71.53 H new ATOM 0 HB2 ALA A 9 10.140 -11.215 13.866 1.00 71.53 H new ATOM 0 HB3 ALA A 9 10.279 -12.261 15.299 1.00 71.53 H new ATOM 127 N ALA A 10 7.902 -14.590 14.089 1.00 0.51 N ATOM 128 CA ALA A 10 7.502 -15.935 14.481 1.00 72.44 C ATOM 129 C ALA A 10 8.375 -16.460 15.615 1.00 4.32 C ATOM 130 O ALA A 10 9.404 -15.870 15.943 1.00 63.22 O ATOM 131 CB ALA A 10 7.567 -16.874 13.285 1.00 73.01 C ATOM 0 H ALA A 10 8.193 -14.503 13.115 1.00 0.51 H new ATOM 0 HA ALA A 10 6.474 -15.891 14.840 1.00 72.44 H new ATOM 0 HB1 ALA A 10 7.266 -17.876 13.592 1.00 73.01 H new ATOM 0 HB2 ALA A 10 6.895 -16.516 12.505 1.00 73.01 H new ATOM 0 HB3 ALA A 10 8.587 -16.904 12.901 1.00 73.01 H new ATOM 137 N GLY A 11 7.958 -17.572 16.212 1.00 15.25 N ATOM 138 CA GLY A 11 8.713 -18.156 17.305 1.00 64.01 C ATOM 139 C GLY A 11 7.958 -18.118 18.618 1.00 35.52 C ATOM 140 O GLY A 11 8.550 -17.916 19.678 1.00 43.22 O ATOM 0 H GLY A 11 7.110 -18.079 15.958 1.00 15.25 H new ATOM 0 HA2 GLY A 11 8.959 -19.189 17.061 1.00 64.01 H new ATOM 0 HA3 GLY A 11 9.657 -17.622 17.417 1.00 64.01 H new ATOM 144 N SER A 12 6.644 -18.313 18.549 1.00 4.33 N ATOM 145 CA SER A 12 5.805 -18.295 19.742 1.00 43.42 C ATOM 146 C SER A 12 4.484 -19.013 19.487 1.00 55.41 C ATOM 147 O SER A 12 4.000 -19.062 18.356 1.00 71.50 O ATOM 148 CB SER A 12 5.539 -16.854 20.182 1.00 5.22 C ATOM 149 OG SER A 12 6.718 -16.248 20.685 1.00 61.52 O ATOM 0 H SER A 12 6.138 -18.485 17.680 1.00 4.33 H new ATOM 0 HA SER A 12 6.335 -18.818 20.538 1.00 43.42 H new ATOM 0 HB2 SER A 12 5.161 -16.277 19.338 1.00 5.22 H new ATOM 0 HB3 SER A 12 4.764 -16.842 20.949 1.00 5.22 H new ATOM 0 HG SER A 12 7.453 -16.895 20.663 1.00 61.52 H new ATOM 155 N TRP A 13 3.905 -19.567 20.546 1.00 2.01 N ATOM 156 CA TRP A 13 2.639 -20.283 20.438 1.00 0.21 C ATOM 157 C TRP A 13 1.872 -20.234 21.755 1.00 22.20 C ATOM 158 O TRP A 13 2.381 -20.649 22.797 1.00 42.41 O ATOM 159 CB TRP A 13 2.885 -21.736 20.030 1.00 75.30 C ATOM 160 CG TRP A 13 3.553 -21.874 18.696 1.00 42.23 C ATOM 161 CD1 TRP A 13 2.973 -22.275 17.526 1.00 45.41 C ATOM 162 CD2 TRP A 13 4.928 -21.612 18.395 1.00 24.54 C ATOM 163 NE1 TRP A 13 3.906 -22.278 16.516 1.00 33.24 N ATOM 164 CE2 TRP A 13 5.112 -21.875 17.024 1.00 65.03 C ATOM 165 CE3 TRP A 13 6.022 -21.180 19.151 1.00 73.21 C ATOM 166 CZ2 TRP A 13 6.345 -21.720 16.395 1.00 23.34 C ATOM 167 CZ3 TRP A 13 7.245 -21.027 18.526 1.00 74.42 C ATOM 168 CH2 TRP A 13 7.398 -21.296 17.159 1.00 4.02 C ATOM 0 H TRP A 13 4.292 -19.534 21.489 1.00 2.01 H new ATOM 0 HA TRP A 13 2.038 -19.795 19.671 1.00 0.21 H new ATOM 0 HB2 TRP A 13 3.501 -22.219 20.788 1.00 75.30 H new ATOM 0 HB3 TRP A 13 1.933 -22.266 20.008 1.00 75.30 H new ATOM 0 HD1 TRP A 13 1.935 -22.549 17.411 1.00 45.41 H new ATOM 0 HE1 TRP A 13 3.729 -22.538 15.546 1.00 33.24 H new ATOM 0 HE3 TRP A 13 5.913 -20.970 20.205 1.00 73.21 H new ATOM 0 HZ2 TRP A 13 6.466 -21.927 15.342 1.00 23.34 H new ATOM 0 HZ3 TRP A 13 8.097 -20.695 19.100 1.00 74.42 H new ATOM 0 HH2 TRP A 13 8.367 -21.166 16.699 1.00 4.02 H new ATOM 179 N CYS A 14 0.646 -19.726 21.702 1.00 14.01 N ATOM 180 CA CYS A 14 -0.192 -19.623 22.891 1.00 41.10 C ATOM 181 C CYS A 14 -1.044 -20.876 23.066 1.00 34.41 C ATOM 182 O CYS A 14 -1.953 -21.138 22.277 1.00 24.03 O ATOM 183 CB CYS A 14 -1.092 -18.389 22.801 1.00 71.12 C ATOM 184 SG CYS A 14 -0.708 -17.097 24.026 1.00 31.35 S ATOM 0 H CYS A 14 0.210 -19.379 20.848 1.00 14.01 H new ATOM 0 HA CYS A 14 0.461 -19.525 23.758 1.00 41.10 H new ATOM 0 HB2 CYS A 14 -1.007 -17.963 21.801 1.00 71.12 H new ATOM 0 HB3 CYS A 14 -2.129 -18.699 22.929 1.00 71.12 H new ATOM 189 N VAL A 15 -0.745 -21.648 24.106 1.00 31.31 N ATOM 190 CA VAL A 15 -1.484 -22.874 24.387 1.00 50.55 C ATOM 191 C VAL A 15 -1.302 -23.305 25.837 1.00 32.23 C ATOM 192 O VAL A 15 -0.310 -22.978 26.489 1.00 51.33 O ATOM 193 CB VAL A 15 -1.039 -24.022 23.461 1.00 10.42 C ATOM 194 CG1 VAL A 15 -0.988 -23.553 22.015 1.00 2.21 C ATOM 195 CG2 VAL A 15 0.311 -24.567 23.902 1.00 71.45 C ATOM 0 H VAL A 15 0.004 -21.446 24.768 1.00 31.31 H new ATOM 0 HA VAL A 15 -2.537 -22.658 24.205 1.00 50.55 H new ATOM 0 HB VAL A 15 -1.771 -24.827 23.530 1.00 10.42 H new ATOM 0 HG11 VAL A 15 -0.672 -24.377 21.376 1.00 2.21 H new ATOM 0 HG12 VAL A 15 -1.977 -23.214 21.707 1.00 2.21 H new ATOM 0 HG13 VAL A 15 -0.278 -22.731 21.924 1.00 2.21 H new ATOM 0 HG21 VAL A 15 0.611 -25.377 23.237 1.00 71.45 H new ATOM 0 HG22 VAL A 15 1.055 -23.771 23.863 1.00 71.45 H new ATOM 0 HG23 VAL A 15 0.236 -24.943 24.922 1.00 71.45 H new ATOM 205 N PRO A 16 -2.282 -24.059 26.358 1.00 50.04 N ATOM 206 CA PRO A 16 -2.253 -24.553 27.737 1.00 22.24 C ATOM 207 C PRO A 16 -1.185 -25.622 27.948 1.00 54.41 C ATOM 208 O PRO A 16 -1.150 -26.627 27.238 1.00 45.22 O ATOM 209 CB PRO A 16 -3.650 -25.148 27.931 1.00 50.41 C ATOM 210 CG PRO A 16 -4.101 -25.511 26.558 1.00 4.22 C ATOM 211 CD PRO A 16 -3.494 -24.487 25.639 1.00 63.32 C ATOM 0 HA PRO A 16 -2.009 -23.763 28.447 1.00 22.24 H new ATOM 0 HB2 PRO A 16 -3.621 -26.022 28.582 1.00 50.41 H new ATOM 0 HB3 PRO A 16 -4.326 -24.428 28.393 1.00 50.41 H new ATOM 0 HG2 PRO A 16 -3.774 -26.516 26.293 1.00 4.22 H new ATOM 0 HG3 PRO A 16 -5.189 -25.501 26.489 1.00 4.22 H new ATOM 0 HD2 PRO A 16 -3.254 -24.913 24.665 1.00 63.32 H new ATOM 0 HD3 PRO A 16 -4.173 -23.652 25.463 1.00 63.32 H new ATOM 219 N LYS A 17 -0.317 -25.399 28.928 1.00 1.44 N ATOM 220 CA LYS A 17 0.751 -26.343 29.235 1.00 42.34 C ATOM 221 C LYS A 17 0.195 -27.751 29.422 1.00 5.35 C ATOM 222 O LYS A 17 -0.492 -28.047 30.400 1.00 61.41 O ATOM 223 CB LYS A 17 1.500 -25.906 30.496 1.00 51.02 C ATOM 224 CG LYS A 17 3.011 -25.950 30.352 1.00 63.21 C ATOM 225 CD LYS A 17 3.607 -27.139 31.087 1.00 71.30 C ATOM 226 CE LYS A 17 4.604 -27.890 30.217 1.00 14.02 C ATOM 227 NZ LYS A 17 5.022 -29.177 30.838 1.00 70.41 N ATOM 0 H LYS A 17 -0.332 -24.572 29.524 1.00 1.44 H new ATOM 0 HA LYS A 17 1.445 -26.354 28.394 1.00 42.34 H new ATOM 0 HB2 LYS A 17 1.198 -24.891 30.755 1.00 51.02 H new ATOM 0 HB3 LYS A 17 1.204 -26.548 31.325 1.00 51.02 H new ATOM 0 HG2 LYS A 17 3.275 -26.004 29.296 1.00 63.21 H new ATOM 0 HG3 LYS A 17 3.442 -25.027 30.741 1.00 63.21 H new ATOM 0 HD2 LYS A 17 4.102 -26.796 31.996 1.00 71.30 H new ATOM 0 HD3 LYS A 17 2.809 -27.815 31.394 1.00 71.30 H new ATOM 0 HE2 LYS A 17 4.160 -28.085 29.241 1.00 14.02 H new ATOM 0 HE3 LYS A 17 5.482 -27.266 30.049 1.00 14.02 H new ATOM 0 HZ1 LYS A 17 5.701 -29.659 30.215 1.00 70.41 H new ATOM 0 HZ2 LYS A 17 5.469 -28.989 31.758 1.00 70.41 H new ATOM 0 HZ3 LYS A 17 4.188 -29.783 30.975 1.00 70.41 H new ATOM 241 N PRO A 18 0.500 -28.641 28.466 1.00 12.51 N ATOM 242 CA PRO A 18 0.042 -30.033 28.505 1.00 2.44 C ATOM 243 C PRO A 18 0.725 -30.836 29.607 1.00 34.21 C ATOM 244 O PRO A 18 1.840 -31.325 29.432 1.00 33.42 O ATOM 245 CB PRO A 18 0.434 -30.574 27.128 1.00 14.31 C ATOM 246 CG PRO A 18 1.576 -29.720 26.696 1.00 32.34 C ATOM 247 CD PRO A 18 1.315 -28.356 27.273 1.00 74.31 C ATOM 0 HA PRO A 18 -1.024 -30.106 28.719 1.00 2.44 H new ATOM 0 HB2 PRO A 18 0.723 -31.624 27.183 1.00 14.31 H new ATOM 0 HB3 PRO A 18 -0.397 -30.509 26.426 1.00 14.31 H new ATOM 0 HG2 PRO A 18 2.522 -30.122 27.058 1.00 32.34 H new ATOM 0 HG3 PRO A 18 1.642 -29.678 25.609 1.00 32.34 H new ATOM 0 HD2 PRO A 18 2.242 -27.845 27.532 1.00 74.31 H new ATOM 0 HD3 PRO A 18 0.785 -27.716 26.568 1.00 74.31 H new ATOM 255 N GLY A 19 0.047 -30.969 30.743 1.00 34.03 N ATOM 256 CA GLY A 19 0.604 -31.715 31.857 1.00 54.23 C ATOM 257 C GLY A 19 0.307 -31.067 33.195 1.00 42.04 C ATOM 258 O GLY A 19 0.126 -31.755 34.199 1.00 33.02 O ATOM 0 H GLY A 19 -0.878 -30.574 30.912 1.00 34.03 H new ATOM 0 HA2 GLY A 19 0.201 -32.728 31.850 1.00 54.23 H new ATOM 0 HA3 GLY A 19 1.683 -31.800 31.730 1.00 54.23 H new ATOM 262 N VAL A 20 0.259 -29.739 33.210 1.00 42.44 N ATOM 263 CA VAL A 20 -0.017 -28.997 34.434 1.00 24.34 C ATOM 264 C VAL A 20 -1.369 -29.388 35.021 1.00 64.04 C ATOM 265 O VAL A 20 -2.086 -30.214 34.457 1.00 61.24 O ATOM 266 CB VAL A 20 0.003 -27.477 34.187 1.00 25.21 C ATOM 267 CG1 VAL A 20 -1.317 -27.016 33.590 1.00 13.32 C ATOM 268 CG2 VAL A 20 0.304 -26.732 35.479 1.00 51.44 C ATOM 0 H VAL A 20 0.408 -29.154 32.387 1.00 42.44 H new ATOM 0 HA VAL A 20 0.771 -29.252 35.142 1.00 24.34 H new ATOM 0 HB VAL A 20 0.795 -27.252 33.472 1.00 25.21 H new ATOM 0 HG11 VAL A 20 -1.284 -25.939 33.422 1.00 13.32 H new ATOM 0 HG12 VAL A 20 -1.485 -27.526 32.641 1.00 13.32 H new ATOM 0 HG13 VAL A 20 -2.129 -27.252 34.278 1.00 13.32 H new ATOM 0 HG21 VAL A 20 0.314 -25.659 35.286 1.00 51.44 H new ATOM 0 HG22 VAL A 20 -0.464 -26.961 36.218 1.00 51.44 H new ATOM 0 HG23 VAL A 20 1.277 -27.042 35.859 1.00 51.44 H new ATOM 278 N SER A 21 -1.711 -28.788 36.156 1.00 3.02 N ATOM 279 CA SER A 21 -2.976 -29.075 36.822 1.00 70.44 C ATOM 280 C SER A 21 -4.145 -28.931 35.852 1.00 61.23 C ATOM 281 O SER A 21 -4.283 -27.911 35.176 1.00 62.41 O ATOM 282 CB SER A 21 -3.172 -28.141 38.017 1.00 40.32 C ATOM 283 OG SER A 21 -3.116 -28.856 39.239 1.00 72.45 O ATOM 0 H SER A 21 -1.130 -28.100 36.634 1.00 3.02 H new ATOM 0 HA SER A 21 -2.945 -30.105 37.177 1.00 70.44 H new ATOM 0 HB2 SER A 21 -2.403 -27.369 38.009 1.00 40.32 H new ATOM 0 HB3 SER A 21 -4.133 -27.634 37.932 1.00 40.32 H new ATOM 0 HG SER A 21 -3.242 -28.236 39.987 1.00 72.45 H new ATOM 289 N ASP A 22 -4.984 -29.959 35.789 1.00 24.42 N ATOM 290 CA ASP A 22 -6.142 -29.948 34.903 1.00 20.43 C ATOM 291 C ASP A 22 -7.054 -28.766 35.216 1.00 33.52 C ATOM 292 O ASP A 22 -7.197 -27.849 34.408 1.00 1.31 O ATOM 293 CB ASP A 22 -6.921 -31.258 35.032 1.00 74.14 C ATOM 294 CG ASP A 22 -6.123 -32.456 34.556 1.00 22.05 C ATOM 295 OD1 ASP A 22 -5.502 -32.365 33.477 1.00 45.13 O ATOM 296 OD2 ASP A 22 -6.118 -33.484 35.265 1.00 73.33 O ATOM 0 H ASP A 22 -4.884 -30.811 36.341 1.00 24.42 H new ATOM 0 HA ASP A 22 -5.785 -29.846 33.878 1.00 20.43 H new ATOM 0 HB2 ASP A 22 -7.207 -31.406 36.073 1.00 74.14 H new ATOM 0 HB3 ASP A 22 -7.843 -31.187 34.455 1.00 74.14 H new ATOM 301 N ASP A 23 -7.670 -28.796 36.393 1.00 70.51 N ATOM 302 CA ASP A 23 -8.569 -27.728 36.813 1.00 41.30 C ATOM 303 C ASP A 23 -7.997 -26.362 36.447 1.00 52.51 C ATOM 304 O ASP A 23 -8.736 -25.387 36.306 1.00 23.24 O ATOM 305 CB ASP A 23 -8.817 -27.803 38.320 1.00 24.53 C ATOM 306 CG ASP A 23 -8.894 -29.232 38.823 1.00 1.42 C ATOM 307 OD1 ASP A 23 -9.983 -29.836 38.728 1.00 64.51 O ATOM 308 OD2 ASP A 23 -7.866 -29.745 39.311 1.00 4.23 O ATOM 0 H ASP A 23 -7.563 -29.549 37.073 1.00 70.51 H new ATOM 0 HA ASP A 23 -9.517 -27.858 36.290 1.00 41.30 H new ATOM 0 HB2 ASP A 23 -8.017 -27.279 38.844 1.00 24.53 H new ATOM 0 HB3 ASP A 23 -9.746 -27.286 38.559 1.00 24.53 H new ATOM 313 N GLN A 24 -6.678 -26.299 36.295 1.00 12.04 N ATOM 314 CA GLN A 24 -6.008 -25.052 35.948 1.00 50.43 C ATOM 315 C GLN A 24 -6.369 -24.616 34.531 1.00 13.15 C ATOM 316 O GLN A 24 -6.723 -23.460 34.298 1.00 53.45 O ATOM 317 CB GLN A 24 -4.492 -25.210 36.074 1.00 21.21 C ATOM 318 CG GLN A 24 -3.761 -23.899 36.317 1.00 32.40 C ATOM 319 CD GLN A 24 -3.136 -23.827 37.696 1.00 12.43 C ATOM 320 OE1 GLN A 24 -3.524 -24.561 38.606 1.00 44.04 O ATOM 321 NE2 GLN A 24 -2.163 -22.938 37.859 1.00 11.03 N ATOM 0 H GLN A 24 -6.053 -27.097 36.407 1.00 12.04 H new ATOM 0 HA GLN A 24 -6.345 -24.283 36.643 1.00 50.43 H new ATOM 0 HB2 GLN A 24 -4.273 -25.895 36.893 1.00 21.21 H new ATOM 0 HB3 GLN A 24 -4.106 -25.668 35.163 1.00 21.21 H new ATOM 0 HG2 GLN A 24 -2.984 -23.776 35.563 1.00 32.40 H new ATOM 0 HG3 GLN A 24 -4.458 -23.070 36.194 1.00 32.40 H new ATOM 0 HE21 GLN A 24 -1.873 -22.350 37.077 1.00 11.03 H new ATOM 0 HE22 GLN A 24 -1.706 -22.843 38.766 1.00 11.03 H new ATOM 330 N LEU A 25 -6.277 -25.548 33.590 1.00 74.23 N ATOM 331 CA LEU A 25 -6.594 -25.261 32.195 1.00 14.20 C ATOM 332 C LEU A 25 -8.095 -25.061 32.008 1.00 41.13 C ATOM 333 O LEU A 25 -8.538 -24.020 31.520 1.00 32.43 O ATOM 334 CB LEU A 25 -6.103 -26.396 31.295 1.00 33.23 C ATOM 335 CG LEU A 25 -4.660 -26.851 31.516 1.00 51.13 C ATOM 336 CD1 LEU A 25 -3.828 -25.721 32.103 1.00 72.15 C ATOM 337 CD2 LEU A 25 -4.618 -28.073 32.422 1.00 54.31 C ATOM 0 H LEU A 25 -5.985 -26.509 33.767 1.00 74.23 H new ATOM 0 HA LEU A 25 -6.085 -24.339 31.915 1.00 14.20 H new ATOM 0 HB2 LEU A 25 -6.759 -27.255 31.436 1.00 33.23 H new ATOM 0 HB3 LEU A 25 -6.209 -26.081 30.257 1.00 33.23 H new ATOM 0 HG LEU A 25 -4.234 -27.125 30.551 1.00 51.13 H new ATOM 0 HD11 LEU A 25 -2.804 -26.063 32.253 1.00 72.15 H new ATOM 0 HD12 LEU A 25 -3.830 -24.873 31.418 1.00 72.15 H new ATOM 0 HD13 LEU A 25 -4.253 -25.415 33.059 1.00 72.15 H new ATOM 0 HD21 LEU A 25 -3.583 -28.382 32.568 1.00 54.31 H new ATOM 0 HD22 LEU A 25 -5.062 -27.826 33.386 1.00 54.31 H new ATOM 0 HD23 LEU A 25 -5.178 -28.887 31.962 1.00 54.31 H new ATOM 349 N THR A 26 -8.874 -26.064 32.400 1.00 70.31 N ATOM 350 CA THR A 26 -10.325 -25.999 32.276 1.00 3.25 C ATOM 351 C THR A 26 -10.856 -24.649 32.744 1.00 0.23 C ATOM 352 O THR A 26 -11.959 -24.244 32.379 1.00 61.31 O ATOM 353 CB THR A 26 -11.008 -27.116 33.087 1.00 15.34 C ATOM 354 OG1 THR A 26 -12.395 -27.196 32.738 1.00 1.05 O ATOM 355 CG2 THR A 26 -10.870 -26.862 34.581 1.00 31.30 C ATOM 0 H THR A 26 -8.524 -26.932 32.806 1.00 70.31 H new ATOM 0 HA THR A 26 -10.559 -26.132 31.220 1.00 3.25 H new ATOM 0 HB THR A 26 -10.518 -28.060 32.848 1.00 15.34 H new ATOM 0 HG1 THR A 26 -12.822 -27.909 33.257 1.00 1.05 H new ATOM 0 HG21 THR A 26 -11.360 -27.664 35.133 1.00 31.30 H new ATOM 0 HG22 THR A 26 -9.814 -26.830 34.849 1.00 31.30 H new ATOM 0 HG23 THR A 26 -11.337 -25.910 34.833 1.00 31.30 H new ATOM 363 N GLY A 27 -10.063 -23.954 33.555 1.00 31.40 N ATOM 364 CA GLY A 27 -10.471 -22.656 34.059 1.00 73.20 C ATOM 365 C GLY A 27 -10.509 -21.599 32.974 1.00 43.53 C ATOM 366 O GLY A 27 -11.390 -20.740 32.965 1.00 43.02 O ATOM 0 H GLY A 27 -9.145 -24.267 33.872 1.00 31.40 H new ATOM 0 HA2 GLY A 27 -11.458 -22.740 34.515 1.00 73.20 H new ATOM 0 HA3 GLY A 27 -9.783 -22.342 34.844 1.00 73.20 H new ATOM 370 N ASN A 28 -9.548 -21.659 32.057 1.00 74.51 N ATOM 371 CA ASN A 28 -9.474 -20.698 30.963 1.00 1.31 C ATOM 372 C ASN A 28 -10.777 -20.675 30.169 1.00 5.31 C ATOM 373 O ASN A 28 -11.404 -19.626 30.017 1.00 63.13 O ATOM 374 CB ASN A 28 -8.305 -21.037 30.036 1.00 23.35 C ATOM 375 CG ASN A 28 -7.064 -21.455 30.801 1.00 24.41 C ATOM 376 OD1 ASN A 28 -6.902 -21.121 31.975 1.00 40.12 O ATOM 377 ND2 ASN A 28 -6.179 -22.191 30.137 1.00 54.41 N ATOM 0 H ASN A 28 -8.810 -22.363 32.050 1.00 74.51 H new ATOM 0 HA ASN A 28 -9.313 -19.709 31.392 1.00 1.31 H new ATOM 0 HB2 ASN A 28 -8.601 -21.841 29.361 1.00 23.35 H new ATOM 0 HB3 ASN A 28 -8.072 -20.171 29.417 1.00 23.35 H new ATOM 0 HD21 ASN A 28 -5.325 -22.502 30.600 1.00 54.41 H new ATOM 0 HD22 ASN A 28 -6.354 -22.445 29.165 1.00 54.41 H new ATOM 384 N ILE A 29 -11.177 -21.838 29.667 1.00 51.35 N ATOM 385 CA ILE A 29 -12.405 -21.951 28.890 1.00 35.21 C ATOM 386 C ILE A 29 -13.558 -21.224 29.575 1.00 62.11 C ATOM 387 O ILE A 29 -14.358 -20.555 28.923 1.00 43.33 O ATOM 388 CB ILE A 29 -12.800 -23.424 28.672 1.00 3.12 C ATOM 389 CG1 ILE A 29 -11.699 -24.162 27.908 1.00 44.54 C ATOM 390 CG2 ILE A 29 -14.122 -23.513 27.925 1.00 20.31 C ATOM 391 CD1 ILE A 29 -12.087 -25.563 27.491 1.00 22.14 C ATOM 0 H ILE A 29 -10.669 -22.715 29.784 1.00 51.35 H new ATOM 0 HA ILE A 29 -12.210 -21.488 27.923 1.00 35.21 H new ATOM 0 HB ILE A 29 -12.923 -23.900 29.645 1.00 3.12 H new ATOM 0 HG12 ILE A 29 -11.436 -23.587 27.020 1.00 44.54 H new ATOM 0 HG13 ILE A 29 -10.806 -24.211 28.531 1.00 44.54 H new ATOM 0 HG21 ILE A 29 -14.387 -24.560 27.779 1.00 20.31 H new ATOM 0 HG22 ILE A 29 -14.901 -23.019 28.505 1.00 20.31 H new ATOM 0 HG23 ILE A 29 -14.026 -23.024 26.956 1.00 20.31 H new ATOM 0 HD11 ILE A 29 -11.259 -26.025 26.954 1.00 22.14 H new ATOM 0 HD12 ILE A 29 -12.321 -26.154 28.376 1.00 22.14 H new ATOM 0 HD13 ILE A 29 -12.961 -25.520 26.841 1.00 22.14 H new ATOM 403 N ASN A 30 -13.635 -21.360 30.895 1.00 42.41 N ATOM 404 CA ASN A 30 -14.689 -20.714 31.669 1.00 22.43 C ATOM 405 C ASN A 30 -14.687 -19.206 31.440 1.00 63.12 C ATOM 406 O ASN A 30 -15.730 -18.605 31.184 1.00 74.12 O ATOM 407 CB ASN A 30 -14.513 -21.015 33.159 1.00 24.11 C ATOM 408 CG ASN A 30 -15.664 -21.823 33.726 1.00 61.22 C ATOM 409 OD1 ASN A 30 -16.405 -22.471 32.987 1.00 71.33 O ATOM 410 ND2 ASN A 30 -15.819 -21.788 35.044 1.00 1.22 N ATOM 0 H ASN A 30 -12.981 -21.911 31.451 1.00 42.41 H new ATOM 0 HA ASN A 30 -15.647 -21.113 31.335 1.00 22.43 H new ATOM 0 HB2 ASN A 30 -13.581 -21.560 33.309 1.00 24.11 H new ATOM 0 HB3 ASN A 30 -14.426 -20.078 33.708 1.00 24.11 H new ATOM 0 HD21 ASN A 30 -16.576 -22.312 35.483 1.00 1.22 H new ATOM 0 HD22 ASN A 30 -15.181 -21.237 35.618 1.00 1.22 H new ATOM 417 N TYR A 31 -13.508 -18.601 31.533 1.00 41.14 N ATOM 418 CA TYR A 31 -13.370 -17.163 31.337 1.00 3.40 C ATOM 419 C TYR A 31 -13.492 -16.799 29.860 1.00 33.34 C ATOM 420 O TYR A 31 -14.333 -15.986 29.477 1.00 30.44 O ATOM 421 CB TYR A 31 -12.025 -16.679 31.883 1.00 62.54 C ATOM 422 CG TYR A 31 -11.481 -15.465 31.165 1.00 52.14 C ATOM 423 CD1 TYR A 31 -12.087 -14.222 31.305 1.00 60.14 C ATOM 424 CD2 TYR A 31 -10.363 -15.560 30.346 1.00 41.12 C ATOM 425 CE1 TYR A 31 -11.594 -13.110 30.650 1.00 14.31 C ATOM 426 CE2 TYR A 31 -9.863 -14.453 29.689 1.00 44.43 C ATOM 427 CZ TYR A 31 -10.482 -13.230 29.844 1.00 42.12 C ATOM 428 OH TYR A 31 -9.987 -12.125 29.190 1.00 53.32 O ATOM 0 H TYR A 31 -12.634 -19.084 31.743 1.00 41.14 H new ATOM 0 HA TYR A 31 -14.175 -16.670 31.882 1.00 3.40 H new ATOM 0 HB2 TYR A 31 -12.135 -16.445 32.942 1.00 62.54 H new ATOM 0 HB3 TYR A 31 -11.300 -17.489 31.809 1.00 62.54 H new ATOM 0 HD1 TYR A 31 -12.958 -14.124 31.936 1.00 60.14 H new ATOM 0 HD2 TYR A 31 -9.876 -16.516 30.221 1.00 41.12 H new ATOM 0 HE1 TYR A 31 -12.077 -12.152 30.769 1.00 14.31 H new ATOM 0 HE2 TYR A 31 -8.992 -14.544 29.057 1.00 44.43 H new ATOM 0 HH TYR A 31 -9.200 -12.381 28.665 1.00 53.32 H new ATOM 438 N ALA A 32 -12.647 -17.409 29.036 1.00 72.13 N ATOM 439 CA ALA A 32 -12.661 -17.153 27.601 1.00 75.22 C ATOM 440 C ALA A 32 -14.068 -17.299 27.031 1.00 34.20 C ATOM 441 O ALA A 32 -14.510 -16.482 26.223 1.00 50.12 O ATOM 442 CB ALA A 32 -11.701 -18.093 26.887 1.00 21.04 C ATOM 0 H ALA A 32 -11.944 -18.084 29.337 1.00 72.13 H new ATOM 0 HA ALA A 32 -12.335 -16.126 27.438 1.00 75.22 H new ATOM 0 HB1 ALA A 32 -11.722 -17.890 25.816 1.00 21.04 H new ATOM 0 HB2 ALA A 32 -10.691 -17.938 27.266 1.00 21.04 H new ATOM 0 HB3 ALA A 32 -12.001 -19.125 27.067 1.00 21.04 H new ATOM 448 N CYS A 33 -14.768 -18.346 27.457 1.00 53.45 N ATOM 449 CA CYS A 33 -16.125 -18.600 26.988 1.00 32.12 C ATOM 450 C CYS A 33 -17.004 -17.366 27.172 1.00 74.51 C ATOM 451 O CYS A 33 -18.083 -17.267 26.587 1.00 70.50 O ATOM 452 CB CYS A 33 -16.731 -19.788 27.738 1.00 74.12 C ATOM 453 SG CYS A 33 -18.482 -20.101 27.344 1.00 13.30 S ATOM 0 H CYS A 33 -14.418 -19.032 28.126 1.00 53.45 H new ATOM 0 HA CYS A 33 -16.078 -18.835 25.925 1.00 32.12 H new ATOM 0 HB2 CYS A 33 -16.152 -20.683 27.508 1.00 74.12 H new ATOM 0 HB3 CYS A 33 -16.636 -19.614 28.810 1.00 74.12 H new ATOM 458 N SER A 34 -16.535 -16.428 27.988 1.00 31.32 N ATOM 459 CA SER A 34 -17.279 -15.203 28.252 1.00 15.51 C ATOM 460 C SER A 34 -16.830 -14.082 27.319 1.00 24.24 C ATOM 461 O SER A 34 -17.112 -12.909 27.561 1.00 60.02 O ATOM 462 CB SER A 34 -17.096 -14.773 29.709 1.00 31.10 C ATOM 463 OG SER A 34 -18.301 -14.922 30.440 1.00 2.01 O ATOM 0 H SER A 34 -15.643 -16.493 28.478 1.00 31.32 H new ATOM 0 HA SER A 34 -18.335 -15.403 28.070 1.00 15.51 H new ATOM 0 HB2 SER A 34 -16.310 -15.370 30.172 1.00 31.10 H new ATOM 0 HB3 SER A 34 -16.770 -13.733 29.746 1.00 31.10 H new ATOM 0 HG SER A 34 -18.157 -14.642 31.368 1.00 2.01 H new ATOM 469 N GLN A 35 -16.128 -14.454 26.254 1.00 60.14 N ATOM 470 CA GLN A 35 -15.638 -13.481 25.285 1.00 40.05 C ATOM 471 C GLN A 35 -16.567 -13.399 24.078 1.00 13.31 C ATOM 472 O GLN A 35 -16.947 -12.311 23.647 1.00 11.34 O ATOM 473 CB GLN A 35 -14.225 -13.849 24.830 1.00 25.33 C ATOM 474 CG GLN A 35 -13.474 -12.697 24.182 1.00 73.23 C ATOM 475 CD GLN A 35 -14.402 -11.630 23.636 1.00 15.24 C ATOM 476 OE1 GLN A 35 -14.685 -11.589 22.439 1.00 44.05 O ATOM 477 NE2 GLN A 35 -14.883 -10.758 24.515 1.00 14.11 N ATOM 0 H GLN A 35 -15.886 -15.421 26.040 1.00 60.14 H new ATOM 0 HA GLN A 35 -15.614 -12.505 25.770 1.00 40.05 H new ATOM 0 HB2 GLN A 35 -13.657 -14.204 25.690 1.00 25.33 H new ATOM 0 HB3 GLN A 35 -14.284 -14.676 24.123 1.00 25.33 H new ATOM 0 HG2 GLN A 35 -12.802 -12.249 24.914 1.00 73.23 H new ATOM 0 HG3 GLN A 35 -12.853 -13.082 23.373 1.00 73.23 H new ATOM 0 HE21 GLN A 35 -14.622 -10.829 25.499 1.00 14.11 H new ATOM 0 HE22 GLN A 35 -15.513 -10.018 24.206 1.00 14.11 H new ATOM 486 N GLY A 36 -16.930 -14.558 23.536 1.00 1.42 N ATOM 487 CA GLY A 36 -17.811 -14.594 22.384 1.00 34.20 C ATOM 488 C GLY A 36 -17.427 -15.676 21.394 1.00 10.11 C ATOM 489 O GLY A 36 -18.189 -16.615 21.164 1.00 32.33 O ATOM 0 H GLY A 36 -16.629 -15.472 23.874 1.00 1.42 H new ATOM 0 HA2 GLY A 36 -18.835 -14.759 22.719 1.00 34.20 H new ATOM 0 HA3 GLY A 36 -17.791 -13.625 21.885 1.00 34.20 H new ATOM 493 N ILE A 37 -16.243 -15.543 20.805 1.00 32.44 N ATOM 494 CA ILE A 37 -15.760 -16.517 19.834 1.00 32.24 C ATOM 495 C ILE A 37 -15.138 -17.724 20.529 1.00 42.32 C ATOM 496 O ILE A 37 -14.444 -18.524 19.902 1.00 71.35 O ATOM 497 CB ILE A 37 -14.722 -15.895 18.882 1.00 70.11 C ATOM 498 CG1 ILE A 37 -13.344 -15.862 19.546 1.00 61.32 C ATOM 499 CG2 ILE A 37 -15.152 -14.495 18.472 1.00 42.43 C ATOM 500 CD1 ILE A 37 -12.295 -15.146 18.725 1.00 44.21 C ATOM 0 H ILE A 37 -15.601 -14.771 20.983 1.00 32.44 H new ATOM 0 HA ILE A 37 -16.624 -16.840 19.254 1.00 32.24 H new ATOM 0 HB ILE A 37 -14.658 -16.511 17.985 1.00 70.11 H new ATOM 0 HG12 ILE A 37 -13.429 -15.374 20.517 1.00 61.32 H new ATOM 0 HG13 ILE A 37 -13.014 -16.884 19.731 1.00 61.32 H new ATOM 0 HG21 ILE A 37 -14.408 -14.068 17.799 1.00 42.43 H new ATOM 0 HG22 ILE A 37 -16.115 -14.544 17.964 1.00 42.43 H new ATOM 0 HG23 ILE A 37 -15.241 -13.867 19.359 1.00 42.43 H new ATOM 0 HD11 ILE A 37 -11.344 -15.161 19.257 1.00 44.21 H new ATOM 0 HD12 ILE A 37 -12.181 -15.647 17.763 1.00 44.21 H new ATOM 0 HD13 ILE A 37 -12.603 -14.113 18.562 1.00 44.21 H new ATOM 512 N ASP A 38 -15.392 -17.849 21.827 1.00 50.54 N ATOM 513 CA ASP A 38 -14.859 -18.959 22.607 1.00 73.52 C ATOM 514 C ASP A 38 -15.817 -20.147 22.586 1.00 41.32 C ATOM 515 O ASP A 38 -15.499 -21.205 22.043 1.00 61.22 O ATOM 516 CB ASP A 38 -14.603 -18.521 24.049 1.00 4.23 C ATOM 517 CG ASP A 38 -13.263 -17.830 24.215 1.00 71.32 C ATOM 518 OD1 ASP A 38 -12.245 -18.539 24.359 1.00 0.55 O ATOM 519 OD2 ASP A 38 -13.233 -16.582 24.201 1.00 41.35 O ATOM 0 H ASP A 38 -15.964 -17.195 22.361 1.00 50.54 H new ATOM 0 HA ASP A 38 -13.916 -19.267 22.156 1.00 73.52 H new ATOM 0 HB2 ASP A 38 -15.398 -17.847 24.368 1.00 4.23 H new ATOM 0 HB3 ASP A 38 -14.643 -19.392 24.703 1.00 4.23 H new ATOM 524 N CYS A 39 -16.991 -19.964 23.181 1.00 24.25 N ATOM 525 CA CYS A 39 -17.995 -21.020 23.233 1.00 1.32 C ATOM 526 C CYS A 39 -18.694 -21.172 21.885 1.00 0.04 C ATOM 527 O CYS A 39 -19.247 -20.213 21.349 1.00 42.30 O ATOM 528 CB CYS A 39 -19.025 -20.719 24.324 1.00 73.25 C ATOM 529 SG CYS A 39 -18.643 -21.475 25.936 1.00 35.52 S ATOM 0 H CYS A 39 -17.271 -19.094 23.634 1.00 24.25 H new ATOM 0 HA CYS A 39 -17.490 -21.957 23.468 1.00 1.32 H new ATOM 0 HB2 CYS A 39 -19.100 -19.639 24.450 1.00 73.25 H new ATOM 0 HB3 CYS A 39 -20.002 -21.070 23.993 1.00 73.25 H new ATOM 534 N GLY A 40 -18.665 -22.386 21.344 1.00 50.15 N ATOM 535 CA GLY A 40 -19.299 -22.642 20.064 1.00 71.24 C ATOM 536 C GLY A 40 -18.316 -23.124 19.016 1.00 64.14 C ATOM 537 O GLY A 40 -18.281 -24.303 18.662 1.00 44.23 O ATOM 0 H GLY A 40 -18.214 -23.196 21.769 1.00 50.15 H new ATOM 0 HA2 GLY A 40 -20.083 -23.388 20.193 1.00 71.24 H new ATOM 0 HA3 GLY A 40 -19.782 -21.730 19.713 1.00 71.24 H new ATOM 541 N PRO A 41 -17.494 -22.198 18.500 1.00 62.25 N ATOM 542 CA PRO A 41 -16.491 -22.511 17.477 1.00 22.43 C ATOM 543 C PRO A 41 -15.349 -23.360 18.026 1.00 31.23 C ATOM 544 O PRO A 41 -14.370 -23.626 17.328 1.00 30.15 O ATOM 545 CB PRO A 41 -15.976 -21.134 17.051 1.00 33.15 C ATOM 546 CG PRO A 41 -16.224 -20.256 18.229 1.00 35.23 C ATOM 547 CD PRO A 41 -17.480 -20.774 18.875 1.00 60.34 C ATOM 0 HA PRO A 41 -16.912 -23.095 16.659 1.00 22.43 H new ATOM 0 HB2 PRO A 41 -14.916 -21.168 16.799 1.00 33.15 H new ATOM 0 HB3 PRO A 41 -16.502 -20.770 16.168 1.00 33.15 H new ATOM 0 HG2 PRO A 41 -15.385 -20.290 18.924 1.00 35.23 H new ATOM 0 HG3 PRO A 41 -16.343 -19.217 17.923 1.00 35.23 H new ATOM 0 HD2 PRO A 41 -17.459 -20.644 19.957 1.00 60.34 H new ATOM 0 HD3 PRO A 41 -18.365 -20.253 18.509 1.00 60.34 H new ATOM 555 N ILE A 42 -15.482 -23.783 19.279 1.00 4.20 N ATOM 556 CA ILE A 42 -14.461 -24.603 19.920 1.00 52.10 C ATOM 557 C ILE A 42 -14.661 -26.080 19.598 1.00 42.02 C ATOM 558 O ILE A 42 -14.127 -26.952 20.283 1.00 42.21 O ATOM 559 CB ILE A 42 -14.468 -24.417 21.449 1.00 70.02 C ATOM 560 CG1 ILE A 42 -15.905 -24.329 21.967 1.00 22.44 C ATOM 561 CG2 ILE A 42 -13.683 -23.172 21.834 1.00 30.25 C ATOM 562 CD1 ILE A 42 -16.005 -24.350 23.477 1.00 62.44 C ATOM 0 H ILE A 42 -16.286 -23.572 19.870 1.00 4.20 H new ATOM 0 HA ILE A 42 -13.499 -24.275 19.527 1.00 52.10 H new ATOM 0 HB ILE A 42 -13.989 -25.282 21.908 1.00 70.02 H new ATOM 0 HG12 ILE A 42 -16.362 -23.413 21.593 1.00 22.44 H new ATOM 0 HG13 ILE A 42 -16.481 -25.161 21.561 1.00 22.44 H new ATOM 0 HG21 ILE A 42 -13.697 -23.054 22.917 1.00 30.25 H new ATOM 0 HG22 ILE A 42 -12.653 -23.272 21.493 1.00 30.25 H new ATOM 0 HG23 ILE A 42 -14.136 -22.297 21.368 1.00 30.25 H new ATOM 0 HD11 ILE A 42 -17.052 -24.284 23.773 1.00 62.44 H new ATOM 0 HD12 ILE A 42 -15.578 -25.278 23.857 1.00 62.44 H new ATOM 0 HD13 ILE A 42 -15.457 -23.503 23.890 1.00 62.44 H new ATOM 574 N GLN A 43 -15.432 -26.353 18.550 1.00 44.41 N ATOM 575 CA GLN A 43 -15.700 -27.725 18.136 1.00 14.33 C ATOM 576 C GLN A 43 -14.502 -28.316 17.401 1.00 32.32 C ATOM 577 O GLN A 43 -13.894 -27.679 16.542 1.00 44.43 O ATOM 578 CB GLN A 43 -16.939 -27.776 17.241 1.00 75.41 C ATOM 579 CG GLN A 43 -18.162 -27.113 17.855 1.00 43.13 C ATOM 580 CD GLN A 43 -19.228 -28.113 18.257 1.00 0.53 C ATOM 581 OE1 GLN A 43 -19.956 -28.635 17.413 1.00 55.51 O ATOM 582 NE2 GLN A 43 -19.325 -28.385 19.553 1.00 12.03 N ATOM 0 H GLN A 43 -15.882 -25.643 17.973 1.00 44.41 H new ATOM 0 HA GLN A 43 -15.882 -28.319 19.031 1.00 14.33 H new ATOM 0 HB2 GLN A 43 -16.711 -27.291 16.292 1.00 75.41 H new ATOM 0 HB3 GLN A 43 -17.174 -28.817 17.019 1.00 75.41 H new ATOM 0 HG2 GLN A 43 -17.858 -26.540 18.731 1.00 43.13 H new ATOM 0 HG3 GLN A 43 -18.584 -26.405 17.141 1.00 43.13 H new ATOM 0 HE21 GLN A 43 -18.700 -27.929 20.218 1.00 12.03 H new ATOM 0 HE22 GLN A 43 -20.024 -29.050 19.884 1.00 12.03 H new ATOM 591 N PRO A 44 -14.154 -29.565 17.746 1.00 44.15 N ATOM 592 CA PRO A 44 -13.025 -30.270 17.130 1.00 74.10 C ATOM 593 C PRO A 44 -13.298 -30.642 15.677 1.00 62.15 C ATOM 594 O PRO A 44 -14.421 -30.509 15.192 1.00 64.35 O ATOM 595 CB PRO A 44 -12.885 -31.530 17.987 1.00 24.42 C ATOM 596 CG PRO A 44 -14.241 -31.752 18.561 1.00 55.10 C ATOM 597 CD PRO A 44 -14.834 -30.385 18.762 1.00 53.40 C ATOM 0 HA PRO A 44 -12.126 -29.655 17.102 1.00 74.10 H new ATOM 0 HB2 PRO A 44 -12.565 -32.382 17.388 1.00 24.42 H new ATOM 0 HB3 PRO A 44 -12.141 -31.394 18.772 1.00 24.42 H new ATOM 0 HG2 PRO A 44 -14.857 -32.349 17.888 1.00 55.10 H new ATOM 0 HG3 PRO A 44 -14.181 -32.294 19.505 1.00 55.10 H new ATOM 0 HD2 PRO A 44 -15.914 -30.390 18.617 1.00 53.40 H new ATOM 0 HD3 PRO A 44 -14.650 -30.011 19.769 1.00 53.40 H new ATOM 605 N GLY A 45 -12.262 -31.110 14.986 1.00 52.42 N ATOM 606 CA GLY A 45 -12.411 -31.494 13.594 1.00 13.04 C ATOM 607 C GLY A 45 -12.151 -32.970 13.370 1.00 71.33 C ATOM 608 O GLY A 45 -12.834 -33.614 12.574 1.00 31.25 O ATOM 0 H GLY A 45 -11.323 -31.230 15.365 1.00 52.42 H new ATOM 0 HA2 GLY A 45 -13.419 -31.251 13.259 1.00 13.04 H new ATOM 0 HA3 GLY A 45 -11.723 -30.910 12.983 1.00 13.04 H new ATOM 612 N GLY A 46 -11.158 -33.508 14.071 1.00 31.45 N ATOM 613 CA GLY A 46 -10.826 -34.914 13.929 1.00 45.30 C ATOM 614 C GLY A 46 -9.347 -35.137 13.679 1.00 32.35 C ATOM 615 O GLY A 46 -8.810 -36.198 13.999 1.00 14.51 O ATOM 0 H GLY A 46 -10.577 -32.996 14.735 1.00 31.45 H new ATOM 0 HA2 GLY A 46 -11.123 -35.448 14.832 1.00 45.30 H new ATOM 0 HA3 GLY A 46 -11.399 -35.338 13.104 1.00 45.30 H new ATOM 619 N ALA A 47 -8.688 -34.137 13.105 1.00 3.42 N ATOM 620 CA ALA A 47 -7.263 -34.229 12.813 1.00 4.12 C ATOM 621 C ALA A 47 -6.470 -34.603 14.061 1.00 63.42 C ATOM 622 O ALA A 47 -5.923 -35.703 14.155 1.00 43.44 O ATOM 623 CB ALA A 47 -6.756 -32.915 12.238 1.00 45.21 C ATOM 0 H ALA A 47 -9.118 -33.253 12.833 1.00 3.42 H new ATOM 0 HA ALA A 47 -7.119 -35.016 12.073 1.00 4.12 H new ATOM 0 HB1 ALA A 47 -5.690 -32.998 12.025 1.00 45.21 H new ATOM 0 HB2 ALA A 47 -7.294 -32.689 11.317 1.00 45.21 H new ATOM 0 HB3 ALA A 47 -6.920 -32.115 12.960 1.00 45.21 H new ATOM 629 N CYS A 48 -6.411 -33.683 15.017 1.00 4.31 N ATOM 630 CA CYS A 48 -5.684 -33.915 16.259 1.00 24.12 C ATOM 631 C CYS A 48 -6.626 -33.867 17.458 1.00 32.33 C ATOM 632 O CYS A 48 -6.186 -33.775 18.604 1.00 30.55 O ATOM 633 CB CYS A 48 -4.574 -32.875 16.427 1.00 22.42 C ATOM 634 SG CYS A 48 -2.903 -33.508 16.073 1.00 44.10 S ATOM 0 H CYS A 48 -6.859 -32.768 14.955 1.00 4.31 H new ATOM 0 HA CYS A 48 -5.238 -34.908 16.209 1.00 24.12 H new ATOM 0 HB2 CYS A 48 -4.779 -32.031 15.768 1.00 22.42 H new ATOM 0 HB3 CYS A 48 -4.598 -32.495 17.448 1.00 22.42 H new ATOM 639 N PHE A 49 -7.925 -33.930 17.185 1.00 32.45 N ATOM 640 CA PHE A 49 -8.931 -33.894 18.241 1.00 3.30 C ATOM 641 C PHE A 49 -8.696 -35.010 19.255 1.00 2.40 C ATOM 642 O PHE A 49 -8.651 -34.767 20.460 1.00 3.24 O ATOM 643 CB PHE A 49 -10.333 -34.020 17.643 1.00 54.20 C ATOM 644 CG PHE A 49 -11.325 -34.664 18.570 1.00 44.22 C ATOM 645 CD1 PHE A 49 -11.844 -33.963 19.646 1.00 4.42 C ATOM 646 CD2 PHE A 49 -11.737 -35.971 18.365 1.00 41.43 C ATOM 647 CE1 PHE A 49 -12.756 -34.552 20.501 1.00 71.13 C ATOM 648 CE2 PHE A 49 -12.649 -36.565 19.216 1.00 74.24 C ATOM 649 CZ PHE A 49 -13.159 -35.856 20.286 1.00 43.54 C ATOM 0 H PHE A 49 -8.306 -34.006 16.242 1.00 32.45 H new ATOM 0 HA PHE A 49 -8.847 -32.937 18.755 1.00 3.30 H new ATOM 0 HB2 PHE A 49 -10.693 -33.028 17.370 1.00 54.20 H new ATOM 0 HB3 PHE A 49 -10.276 -34.602 16.723 1.00 54.20 H new ATOM 0 HD1 PHE A 49 -11.532 -32.944 19.819 1.00 4.42 H new ATOM 0 HD2 PHE A 49 -11.341 -36.531 17.531 1.00 41.43 H new ATOM 0 HE1 PHE A 49 -13.153 -33.994 21.336 1.00 71.13 H new ATOM 0 HE2 PHE A 49 -12.963 -37.584 19.045 1.00 74.24 H new ATOM 0 HZ PHE A 49 -13.871 -36.320 20.953 1.00 43.54 H new ATOM 659 N GLU A 50 -8.547 -36.233 18.756 1.00 15.12 N ATOM 660 CA GLU A 50 -8.319 -37.386 19.619 1.00 63.24 C ATOM 661 C GLU A 50 -6.832 -37.719 19.699 1.00 4.22 C ATOM 662 O GLU A 50 -6.146 -37.863 18.687 1.00 72.43 O ATOM 663 CB GLU A 50 -9.097 -38.599 19.103 1.00 45.21 C ATOM 664 CG GLU A 50 -10.483 -38.735 19.709 1.00 31.32 C ATOM 665 CD GLU A 50 -10.575 -39.876 20.703 1.00 33.55 C ATOM 666 OE1 GLU A 50 -10.316 -39.641 21.902 1.00 3.52 O ATOM 667 OE2 GLU A 50 -10.906 -41.005 20.284 1.00 55.35 O ATOM 0 H GLU A 50 -8.580 -36.451 17.760 1.00 15.12 H new ATOM 0 HA GLU A 50 -8.673 -37.135 20.619 1.00 63.24 H new ATOM 0 HB2 GLU A 50 -9.189 -38.527 18.019 1.00 45.21 H new ATOM 0 HB3 GLU A 50 -8.526 -39.503 19.315 1.00 45.21 H new ATOM 0 HG2 GLU A 50 -10.751 -37.803 20.206 1.00 31.32 H new ATOM 0 HG3 GLU A 50 -11.210 -38.892 18.912 1.00 31.32 H new ATOM 674 N PRO A 51 -6.320 -37.843 20.933 1.00 45.23 N ATOM 675 CA PRO A 51 -7.126 -37.672 22.145 1.00 25.32 C ATOM 676 C PRO A 51 -7.549 -36.223 22.361 1.00 74.54 C ATOM 677 O PRO A 51 -6.853 -35.296 21.951 1.00 41.10 O ATOM 678 CB PRO A 51 -6.184 -38.126 23.264 1.00 50.13 C ATOM 679 CG PRO A 51 -4.815 -37.908 22.718 1.00 10.11 C ATOM 680 CD PRO A 51 -4.914 -38.158 21.239 1.00 71.33 C ATOM 0 HA PRO A 51 -8.058 -38.236 22.097 1.00 25.32 H new ATOM 0 HB2 PRO A 51 -6.344 -37.549 24.175 1.00 50.13 H new ATOM 0 HB3 PRO A 51 -6.347 -39.173 23.518 1.00 50.13 H new ATOM 0 HG2 PRO A 51 -4.471 -36.894 22.920 1.00 10.11 H new ATOM 0 HG3 PRO A 51 -4.098 -38.586 23.181 1.00 10.11 H new ATOM 0 HD2 PRO A 51 -4.229 -37.523 20.677 1.00 71.33 H new ATOM 0 HD3 PRO A 51 -4.670 -39.190 20.989 1.00 71.33 H new ATOM 688 N ASN A 52 -8.696 -36.037 23.007 1.00 41.04 N ATOM 689 CA ASN A 52 -9.212 -34.700 23.276 1.00 35.03 C ATOM 690 C ASN A 52 -8.904 -34.277 24.709 1.00 12.42 C ATOM 691 O ASN A 52 -9.142 -35.028 25.656 1.00 51.41 O ATOM 692 CB ASN A 52 -10.722 -34.655 23.033 1.00 34.41 C ATOM 693 CG ASN A 52 -11.349 -33.363 23.521 1.00 64.24 C ATOM 694 OD1 ASN A 52 -11.474 -32.398 22.767 1.00 42.03 O ATOM 695 ND2 ASN A 52 -11.745 -33.339 24.788 1.00 72.33 N ATOM 0 H ASN A 52 -9.285 -36.794 23.353 1.00 41.04 H new ATOM 0 HA ASN A 52 -8.720 -34.004 22.596 1.00 35.03 H new ATOM 0 HB2 ASN A 52 -10.919 -34.771 21.967 1.00 34.41 H new ATOM 0 HB3 ASN A 52 -11.194 -35.498 23.538 1.00 34.41 H new ATOM 0 HD21 ASN A 52 -12.173 -32.497 25.173 1.00 72.33 H new ATOM 0 HD22 ASN A 52 -11.621 -34.163 25.377 1.00 72.33 H new ATOM 702 N THR A 53 -8.373 -33.067 24.862 1.00 32.31 N ATOM 703 CA THR A 53 -8.032 -32.543 26.178 1.00 23.44 C ATOM 704 C THR A 53 -9.198 -31.769 26.782 1.00 40.05 C ATOM 705 O THR A 53 -10.166 -31.448 26.092 1.00 41.21 O ATOM 706 CB THR A 53 -6.798 -31.623 26.114 1.00 21.41 C ATOM 707 OG1 THR A 53 -7.033 -30.552 25.194 1.00 52.12 O ATOM 708 CG2 THR A 53 -5.563 -32.403 25.688 1.00 52.04 C ATOM 0 H THR A 53 -8.170 -32.432 24.090 1.00 32.31 H new ATOM 0 HA THR A 53 -7.804 -33.401 26.810 1.00 23.44 H new ATOM 0 HB THR A 53 -6.625 -31.215 27.110 1.00 21.41 H new ATOM 0 HG1 THR A 53 -6.176 -30.166 24.915 1.00 52.12 H new ATOM 0 HG21 THR A 53 -4.704 -31.733 25.650 1.00 52.04 H new ATOM 0 HG22 THR A 53 -5.370 -33.199 26.407 1.00 52.04 H new ATOM 0 HG23 THR A 53 -5.729 -32.837 24.702 1.00 52.04 H new ATOM 716 N VAL A 54 -9.100 -31.471 28.073 1.00 4.32 N ATOM 717 CA VAL A 54 -10.146 -30.732 28.769 1.00 12.31 C ATOM 718 C VAL A 54 -10.255 -29.305 28.242 1.00 71.40 C ATOM 719 O VAL A 54 -11.305 -28.892 27.749 1.00 42.01 O ATOM 720 CB VAL A 54 -9.888 -30.688 30.287 1.00 71.11 C ATOM 721 CG1 VAL A 54 -11.004 -29.937 30.997 1.00 20.11 C ATOM 722 CG2 VAL A 54 -9.744 -32.097 30.843 1.00 11.31 C ATOM 0 H VAL A 54 -8.306 -31.730 28.659 1.00 4.32 H new ATOM 0 HA VAL A 54 -11.082 -31.258 28.582 1.00 12.31 H new ATOM 0 HB VAL A 54 -8.954 -30.154 30.464 1.00 71.11 H new ATOM 0 HG11 VAL A 54 -10.804 -29.916 32.068 1.00 20.11 H new ATOM 0 HG12 VAL A 54 -11.055 -28.916 30.618 1.00 20.11 H new ATOM 0 HG13 VAL A 54 -11.954 -30.439 30.815 1.00 20.11 H new ATOM 0 HG21 VAL A 54 -9.562 -32.048 31.917 1.00 11.31 H new ATOM 0 HG22 VAL A 54 -10.660 -32.658 30.655 1.00 11.31 H new ATOM 0 HG23 VAL A 54 -8.907 -32.597 30.356 1.00 11.31 H new ATOM 732 N LYS A 55 -9.163 -28.556 28.349 1.00 61.24 N ATOM 733 CA LYS A 55 -9.133 -27.175 27.881 1.00 31.34 C ATOM 734 C LYS A 55 -8.897 -27.115 26.376 1.00 63.44 C ATOM 735 O LYS A 55 -8.515 -26.076 25.839 1.00 52.13 O ATOM 736 CB LYS A 55 -8.040 -26.392 28.612 1.00 51.45 C ATOM 737 CG LYS A 55 -6.664 -26.541 27.986 1.00 21.05 C ATOM 738 CD LYS A 55 -5.999 -27.841 28.406 1.00 22.15 C ATOM 739 CE LYS A 55 -5.815 -28.780 27.224 1.00 25.23 C ATOM 740 NZ LYS A 55 -4.826 -29.855 27.518 1.00 15.23 N ATOM 0 H LYS A 55 -8.286 -28.882 28.756 1.00 61.24 H new ATOM 0 HA LYS A 55 -10.101 -26.723 28.096 1.00 31.34 H new ATOM 0 HB2 LYS A 55 -8.310 -25.336 28.628 1.00 51.45 H new ATOM 0 HB3 LYS A 55 -7.997 -26.726 29.649 1.00 51.45 H new ATOM 0 HG2 LYS A 55 -6.752 -26.510 26.900 1.00 21.05 H new ATOM 0 HG3 LYS A 55 -6.037 -25.699 28.279 1.00 21.05 H new ATOM 0 HD2 LYS A 55 -5.030 -27.626 28.856 1.00 22.15 H new ATOM 0 HD3 LYS A 55 -6.604 -28.330 29.170 1.00 22.15 H new ATOM 0 HE2 LYS A 55 -6.774 -29.229 26.965 1.00 25.23 H new ATOM 0 HE3 LYS A 55 -5.485 -28.210 26.355 1.00 25.23 H new ATOM 0 HZ1 LYS A 55 -4.338 -30.128 26.641 1.00 15.23 H new ATOM 0 HZ2 LYS A 55 -4.130 -29.507 28.207 1.00 15.23 H new ATOM 0 HZ3 LYS A 55 -5.319 -30.682 27.911 1.00 15.23 H new ATOM 754 N ALA A 56 -9.127 -28.236 25.700 1.00 71.40 N ATOM 755 CA ALA A 56 -8.942 -28.310 24.256 1.00 55.30 C ATOM 756 C ALA A 56 -9.622 -27.138 23.556 1.00 44.35 C ATOM 757 O ALA A 56 -9.073 -26.560 22.617 1.00 61.05 O ATOM 758 CB ALA A 56 -9.479 -29.629 23.722 1.00 71.34 C ATOM 0 H ALA A 56 -9.442 -29.106 26.130 1.00 71.40 H new ATOM 0 HA ALA A 56 -7.874 -28.255 24.048 1.00 55.30 H new ATOM 0 HB1 ALA A 56 -9.334 -29.670 22.642 1.00 71.34 H new ATOM 0 HB2 ALA A 56 -8.946 -30.456 24.192 1.00 71.34 H new ATOM 0 HB3 ALA A 56 -10.542 -29.707 23.949 1.00 71.34 H new ATOM 764 N HIS A 57 -10.819 -26.791 24.017 1.00 30.54 N ATOM 765 CA HIS A 57 -11.573 -25.688 23.434 1.00 14.45 C ATOM 766 C HIS A 57 -10.744 -24.407 23.426 1.00 22.12 C ATOM 767 O HIS A 57 -10.551 -23.788 22.380 1.00 1.03 O ATOM 768 CB HIS A 57 -12.871 -25.463 24.211 1.00 74.14 C ATOM 769 CG HIS A 57 -13.698 -26.702 24.366 1.00 74.11 C ATOM 770 ND1 HIS A 57 -13.710 -27.459 25.518 1.00 33.51 N ATOM 771 CD2 HIS A 57 -14.546 -27.314 23.506 1.00 33.05 C ATOM 772 CE1 HIS A 57 -14.528 -28.485 25.360 1.00 13.31 C ATOM 773 NE2 HIS A 57 -15.049 -28.419 24.148 1.00 61.31 N ATOM 0 H HIS A 57 -11.288 -27.258 24.793 1.00 30.54 H new ATOM 0 HA HIS A 57 -11.815 -25.950 22.404 1.00 14.45 H new ATOM 0 HB2 HIS A 57 -12.630 -25.071 25.199 1.00 74.14 H new ATOM 0 HB3 HIS A 57 -13.463 -24.702 23.702 1.00 74.14 H new ATOM 0 HD2 HIS A 57 -14.783 -26.993 22.502 1.00 33.05 H new ATOM 0 HE1 HIS A 57 -14.735 -29.247 26.096 1.00 13.31 H new ATOM 0 HE2 HIS A 57 -15.717 -29.081 23.753 1.00 61.31 H new ATOM 781 N ALA A 58 -10.256 -24.016 24.599 1.00 34.00 N ATOM 782 CA ALA A 58 -9.447 -22.811 24.726 1.00 1.52 C ATOM 783 C ALA A 58 -8.314 -22.800 23.705 1.00 14.51 C ATOM 784 O ALA A 58 -8.023 -21.769 23.098 1.00 34.40 O ATOM 785 CB ALA A 58 -8.889 -22.696 26.137 1.00 12.31 C ATOM 0 H ALA A 58 -10.407 -24.517 25.475 1.00 34.00 H new ATOM 0 HA ALA A 58 -10.087 -21.951 24.529 1.00 1.52 H new ATOM 0 HB1 ALA A 58 -8.287 -21.791 26.217 1.00 12.31 H new ATOM 0 HB2 ALA A 58 -9.711 -22.649 26.851 1.00 12.31 H new ATOM 0 HB3 ALA A 58 -8.269 -23.565 26.355 1.00 12.31 H new ATOM 791 N ALA A 59 -7.678 -23.952 23.521 1.00 12.25 N ATOM 792 CA ALA A 59 -6.578 -24.074 22.573 1.00 73.51 C ATOM 793 C ALA A 59 -7.016 -23.671 21.169 1.00 14.42 C ATOM 794 O ALA A 59 -6.272 -23.013 20.441 1.00 13.13 O ATOM 795 CB ALA A 59 -6.039 -25.497 22.571 1.00 74.43 C ATOM 0 H ALA A 59 -7.906 -24.814 24.016 1.00 12.25 H new ATOM 0 HA ALA A 59 -5.784 -23.396 22.886 1.00 73.51 H new ATOM 0 HB1 ALA A 59 -5.218 -25.574 21.858 1.00 74.43 H new ATOM 0 HB2 ALA A 59 -5.679 -25.751 23.568 1.00 74.43 H new ATOM 0 HB3 ALA A 59 -6.833 -26.187 22.285 1.00 74.43 H new ATOM 801 N TYR A 60 -8.227 -24.069 20.795 1.00 11.40 N ATOM 802 CA TYR A 60 -8.763 -23.750 19.477 1.00 62.53 C ATOM 803 C TYR A 60 -9.050 -22.257 19.351 1.00 21.41 C ATOM 804 O TYR A 60 -8.531 -21.586 18.459 1.00 73.33 O ATOM 805 CB TYR A 60 -10.040 -24.551 19.215 1.00 11.55 C ATOM 806 CG TYR A 60 -10.701 -24.222 17.896 1.00 70.11 C ATOM 807 CD1 TYR A 60 -11.335 -23.002 17.699 1.00 54.15 C ATOM 808 CD2 TYR A 60 -10.690 -25.132 16.846 1.00 71.12 C ATOM 809 CE1 TYR A 60 -11.941 -22.698 16.495 1.00 71.22 C ATOM 810 CE2 TYR A 60 -11.292 -24.836 15.638 1.00 71.30 C ATOM 811 CZ TYR A 60 -11.917 -23.618 15.468 1.00 64.44 C ATOM 812 OH TYR A 60 -12.518 -23.319 14.266 1.00 23.05 O ATOM 0 H TYR A 60 -8.856 -24.613 21.386 1.00 11.40 H new ATOM 0 HA TYR A 60 -8.013 -24.020 18.733 1.00 62.53 H new ATOM 0 HB2 TYR A 60 -9.803 -25.615 19.238 1.00 11.55 H new ATOM 0 HB3 TYR A 60 -10.748 -24.365 20.023 1.00 11.55 H new ATOM 0 HD1 TYR A 60 -11.355 -22.279 18.501 1.00 54.15 H new ATOM 0 HD2 TYR A 60 -10.203 -26.087 16.976 1.00 71.12 H new ATOM 0 HE1 TYR A 60 -12.431 -21.745 16.359 1.00 71.22 H new ATOM 0 HE2 TYR A 60 -11.273 -25.554 14.832 1.00 71.30 H new ATOM 0 HH TYR A 60 -12.410 -24.073 13.650 1.00 23.05 H new ATOM 822 N VAL A 61 -9.880 -21.743 20.253 1.00 72.21 N ATOM 823 CA VAL A 61 -10.236 -20.329 20.246 1.00 72.32 C ATOM 824 C VAL A 61 -8.992 -19.449 20.275 1.00 62.13 C ATOM 825 O VAL A 61 -8.900 -18.462 19.545 1.00 34.14 O ATOM 826 CB VAL A 61 -11.134 -19.970 21.445 1.00 25.51 C ATOM 827 CG1 VAL A 61 -10.508 -20.455 22.744 1.00 1.02 C ATOM 828 CG2 VAL A 61 -11.385 -18.471 21.492 1.00 53.12 C ATOM 0 H VAL A 61 -10.318 -22.285 20.998 1.00 72.21 H new ATOM 0 HA VAL A 61 -10.786 -20.146 19.323 1.00 72.32 H new ATOM 0 HB VAL A 61 -12.094 -20.472 21.322 1.00 25.51 H new ATOM 0 HG11 VAL A 61 -11.156 -20.193 23.580 1.00 1.02 H new ATOM 0 HG12 VAL A 61 -10.384 -21.537 22.706 1.00 1.02 H new ATOM 0 HG13 VAL A 61 -9.535 -19.983 22.877 1.00 1.02 H new ATOM 0 HG21 VAL A 61 -12.021 -18.235 22.345 1.00 53.12 H new ATOM 0 HG22 VAL A 61 -10.435 -17.946 21.592 1.00 53.12 H new ATOM 0 HG23 VAL A 61 -11.879 -18.156 20.573 1.00 53.12 H new ATOM 838 N MET A 62 -8.035 -19.814 21.122 1.00 13.23 N ATOM 839 CA MET A 62 -6.794 -19.058 21.245 1.00 54.30 C ATOM 840 C MET A 62 -6.228 -18.716 19.871 1.00 42.04 C ATOM 841 O MET A 62 -5.551 -17.703 19.703 1.00 44.22 O ATOM 842 CB MET A 62 -5.765 -19.853 22.051 1.00 52.25 C ATOM 843 CG MET A 62 -5.282 -19.132 23.299 1.00 75.40 C ATOM 844 SD MET A 62 -4.044 -20.075 24.210 1.00 52.12 S ATOM 845 CE MET A 62 -4.940 -21.593 24.528 1.00 54.32 C ATOM 0 H MET A 62 -8.095 -20.628 21.733 1.00 13.23 H new ATOM 0 HA MET A 62 -7.014 -18.128 21.769 1.00 54.30 H new ATOM 0 HB2 MET A 62 -6.202 -20.809 22.340 1.00 52.25 H new ATOM 0 HB3 MET A 62 -4.908 -20.073 21.414 1.00 52.25 H new ATOM 0 HG2 MET A 62 -4.862 -18.166 23.017 1.00 75.40 H new ATOM 0 HG3 MET A 62 -6.133 -18.932 23.950 1.00 75.40 H new ATOM 0 HE1 MET A 62 -4.735 -21.930 25.544 1.00 54.32 H new ATOM 0 HE2 MET A 62 -6.009 -21.415 24.413 1.00 54.32 H new ATOM 0 HE3 MET A 62 -4.621 -22.359 23.820 1.00 54.32 H new ATOM 855 N ASN A 63 -6.510 -19.568 18.891 1.00 64.54 N ATOM 856 CA ASN A 63 -6.027 -19.357 17.531 1.00 42.52 C ATOM 857 C ASN A 63 -6.532 -18.028 16.975 1.00 20.50 C ATOM 858 O ASN A 63 -5.745 -17.131 16.670 1.00 14.12 O ATOM 859 CB ASN A 63 -6.474 -20.505 16.624 1.00 42.21 C ATOM 860 CG ASN A 63 -5.588 -20.655 15.402 1.00 11.01 C ATOM 861 OD1 ASN A 63 -4.501 -20.081 15.336 1.00 62.44 O ATOM 862 ND2 ASN A 63 -6.051 -21.429 14.427 1.00 31.15 N ATOM 0 H ASN A 63 -7.071 -20.411 19.013 1.00 64.54 H new ATOM 0 HA ASN A 63 -4.938 -19.329 17.559 1.00 42.52 H new ATOM 0 HB2 ASN A 63 -6.467 -21.436 17.191 1.00 42.21 H new ATOM 0 HB3 ASN A 63 -7.502 -20.333 16.305 1.00 42.21 H new ATOM 0 HD21 ASN A 63 -5.500 -21.567 13.580 1.00 31.15 H new ATOM 0 HD22 ASN A 63 -6.958 -21.885 14.525 1.00 31.15 H new ATOM 869 N LEU A 64 -7.849 -17.910 16.846 1.00 22.13 N ATOM 870 CA LEU A 64 -8.460 -16.691 16.328 1.00 73.32 C ATOM 871 C LEU A 64 -8.447 -15.586 17.379 1.00 52.12 C ATOM 872 O LEU A 64 -8.090 -14.444 17.089 1.00 45.01 O ATOM 873 CB LEU A 64 -9.897 -16.968 15.880 1.00 23.45 C ATOM 874 CG LEU A 64 -10.675 -17.987 16.714 1.00 3.13 C ATOM 875 CD1 LEU A 64 -12.157 -17.646 16.727 1.00 43.20 C ATOM 876 CD2 LEU A 64 -10.454 -19.394 16.179 1.00 30.22 C ATOM 0 H LEU A 64 -8.514 -18.643 17.093 1.00 22.13 H new ATOM 0 HA LEU A 64 -7.876 -16.358 15.470 1.00 73.32 H new ATOM 0 HB2 LEU A 64 -10.447 -16.027 15.887 1.00 23.45 H new ATOM 0 HB3 LEU A 64 -9.874 -17.315 14.847 1.00 23.45 H new ATOM 0 HG LEU A 64 -10.305 -17.947 17.739 1.00 3.13 H new ATOM 0 HD11 LEU A 64 -12.694 -18.382 17.325 1.00 43.20 H new ATOM 0 HD12 LEU A 64 -12.299 -16.655 17.158 1.00 43.20 H new ATOM 0 HD13 LEU A 64 -12.542 -17.657 15.707 1.00 43.20 H new ATOM 0 HD21 LEU A 64 -11.015 -20.106 16.785 1.00 30.22 H new ATOM 0 HD22 LEU A 64 -10.796 -19.448 15.145 1.00 30.22 H new ATOM 0 HD23 LEU A 64 -9.392 -19.638 16.223 1.00 30.22 H new ATOM 888 N TYR A 65 -8.837 -15.933 18.600 1.00 33.40 N ATOM 889 CA TYR A 65 -8.871 -14.971 19.695 1.00 44.34 C ATOM 890 C TYR A 65 -7.574 -14.169 19.755 1.00 62.30 C ATOM 891 O TYR A 65 -7.590 -12.938 19.735 1.00 62.33 O ATOM 892 CB TYR A 65 -9.102 -15.688 21.026 1.00 55.14 C ATOM 893 CG TYR A 65 -9.172 -14.754 22.213 1.00 54.15 C ATOM 894 CD1 TYR A 65 -8.065 -14.011 22.604 1.00 72.33 C ATOM 895 CD2 TYR A 65 -10.347 -14.613 22.942 1.00 25.34 C ATOM 896 CE1 TYR A 65 -8.125 -13.158 23.688 1.00 44.50 C ATOM 897 CE2 TYR A 65 -10.415 -13.761 24.027 1.00 15.32 C ATOM 898 CZ TYR A 65 -9.302 -13.035 24.396 1.00 21.53 C ATOM 899 OH TYR A 65 -9.365 -12.185 25.476 1.00 15.12 O ATOM 0 H TYR A 65 -9.134 -16.874 18.857 1.00 33.40 H new ATOM 0 HA TYR A 65 -9.696 -14.282 19.514 1.00 44.34 H new ATOM 0 HB2 TYR A 65 -10.030 -16.256 20.966 1.00 55.14 H new ATOM 0 HB3 TYR A 65 -8.298 -16.406 21.186 1.00 55.14 H new ATOM 0 HD1 TYR A 65 -7.142 -14.102 22.051 1.00 72.33 H new ATOM 0 HD2 TYR A 65 -11.221 -15.179 22.655 1.00 25.34 H new ATOM 0 HE1 TYR A 65 -7.254 -12.590 23.980 1.00 44.50 H new ATOM 0 HE2 TYR A 65 -11.335 -13.664 24.584 1.00 15.32 H new ATOM 0 HH TYR A 65 -10.265 -12.214 25.863 1.00 15.12 H new ATOM 909 N TYR A 66 -6.452 -14.877 19.829 1.00 50.23 N ATOM 910 CA TYR A 66 -5.145 -14.233 19.894 1.00 74.12 C ATOM 911 C TYR A 66 -4.945 -13.287 18.714 1.00 64.11 C ATOM 912 O TYR A 66 -4.247 -12.280 18.825 1.00 43.42 O ATOM 913 CB TYR A 66 -4.035 -15.286 19.913 1.00 55.54 C ATOM 914 CG TYR A 66 -2.648 -14.706 19.752 1.00 54.34 C ATOM 915 CD1 TYR A 66 -2.234 -14.173 18.537 1.00 65.30 C ATOM 916 CD2 TYR A 66 -1.752 -14.691 20.813 1.00 15.14 C ATOM 917 CE1 TYR A 66 -0.967 -13.643 18.385 1.00 61.11 C ATOM 918 CE2 TYR A 66 -0.485 -14.161 20.671 1.00 64.42 C ATOM 919 CZ TYR A 66 -0.096 -13.639 19.455 1.00 54.13 C ATOM 920 OH TYR A 66 1.166 -13.112 19.308 1.00 2.23 O ATOM 0 H TYR A 66 -6.421 -15.896 19.845 1.00 50.23 H new ATOM 0 HA TYR A 66 -5.100 -13.651 20.814 1.00 74.12 H new ATOM 0 HB2 TYR A 66 -4.083 -15.836 20.853 1.00 55.54 H new ATOM 0 HB3 TYR A 66 -4.214 -16.005 19.114 1.00 55.54 H new ATOM 0 HD1 TYR A 66 -2.914 -14.173 17.698 1.00 65.30 H new ATOM 0 HD2 TYR A 66 -2.052 -15.101 21.766 1.00 15.14 H new ATOM 0 HE1 TYR A 66 -0.660 -13.234 17.434 1.00 61.11 H new ATOM 0 HE2 TYR A 66 0.198 -14.155 21.508 1.00 64.42 H new ATOM 0 HH TYR A 66 1.143 -12.388 18.648 1.00 2.23 H new ATOM 930 N GLN A 67 -5.563 -13.620 17.585 1.00 4.13 N ATOM 931 CA GLN A 67 -5.452 -12.801 16.384 1.00 13.42 C ATOM 932 C GLN A 67 -6.628 -11.836 16.273 1.00 12.24 C ATOM 933 O GLN A 67 -6.676 -11.000 15.370 1.00 73.41 O ATOM 934 CB GLN A 67 -5.387 -13.688 15.140 1.00 25.21 C ATOM 935 CG GLN A 67 -4.258 -14.706 15.178 1.00 44.44 C ATOM 936 CD GLN A 67 -4.428 -15.805 14.148 1.00 54.02 C ATOM 937 OE1 GLN A 67 -4.558 -15.538 12.953 1.00 42.51 O ATOM 938 NE2 GLN A 67 -4.430 -17.051 14.607 1.00 65.15 N ATOM 0 H GLN A 67 -6.145 -14.451 17.477 1.00 4.13 H new ATOM 0 HA GLN A 67 -4.533 -12.219 16.455 1.00 13.42 H new ATOM 0 HB2 GLN A 67 -6.335 -14.213 15.028 1.00 25.21 H new ATOM 0 HB3 GLN A 67 -5.267 -13.057 14.260 1.00 25.21 H new ATOM 0 HG2 GLN A 67 -3.309 -14.197 15.007 1.00 44.44 H new ATOM 0 HG3 GLN A 67 -4.207 -15.150 16.172 1.00 44.44 H new ATOM 0 HE21 GLN A 67 -4.319 -17.227 15.606 1.00 65.15 H new ATOM 0 HE22 GLN A 67 -4.542 -17.832 13.961 1.00 65.15 H new ATOM 947 N HIS A 68 -7.576 -11.957 17.198 1.00 43.31 N ATOM 948 CA HIS A 68 -8.752 -11.095 17.204 1.00 13.31 C ATOM 949 C HIS A 68 -8.372 -9.658 17.549 1.00 24.24 C ATOM 950 O HIS A 68 -8.839 -8.713 16.916 1.00 54.40 O ATOM 951 CB HIS A 68 -9.786 -11.615 18.203 1.00 54.20 C ATOM 952 CG HIS A 68 -9.704 -10.959 19.547 1.00 43.11 C ATOM 953 ND1 HIS A 68 -9.853 -9.601 19.732 1.00 44.41 N ATOM 954 CD2 HIS A 68 -9.488 -11.483 20.776 1.00 22.10 C ATOM 955 CE1 HIS A 68 -9.730 -9.317 21.016 1.00 30.44 C ATOM 956 NE2 HIS A 68 -9.509 -10.443 21.672 1.00 44.51 N ATOM 0 H HIS A 68 -7.552 -12.643 17.952 1.00 43.31 H new ATOM 0 HA HIS A 68 -9.185 -11.107 16.204 1.00 13.31 H new ATOM 0 HB2 HIS A 68 -10.784 -11.461 17.793 1.00 54.20 H new ATOM 0 HB3 HIS A 68 -9.653 -12.690 18.324 1.00 54.20 H new ATOM 0 HD2 HIS A 68 -9.329 -12.526 21.009 1.00 22.10 H new ATOM 0 HE1 HIS A 68 -9.798 -8.333 21.455 1.00 30.44 H new ATOM 0 HE2 HIS A 68 -9.376 -10.526 22.680 1.00 44.51 H new ATOM 964 N ALA A 69 -7.521 -9.503 18.558 1.00 4.04 N ATOM 965 CA ALA A 69 -7.076 -8.182 18.987 1.00 75.52 C ATOM 966 C ALA A 69 -6.036 -7.615 18.027 1.00 12.11 C ATOM 967 O ALA A 69 -6.240 -6.560 17.428 1.00 11.22 O ATOM 968 CB ALA A 69 -6.514 -8.247 20.399 1.00 35.23 C ATOM 0 H ALA A 69 -7.126 -10.276 19.094 1.00 4.04 H new ATOM 0 HA ALA A 69 -7.939 -7.516 18.982 1.00 75.52 H new ATOM 0 HB1 ALA A 69 -6.186 -7.254 20.706 1.00 35.23 H new ATOM 0 HB2 ALA A 69 -7.286 -8.601 21.082 1.00 35.23 H new ATOM 0 HB3 ALA A 69 -5.667 -8.932 20.422 1.00 35.23 H new ATOM 974 N GLY A 70 -4.919 -8.322 17.886 1.00 32.50 N ATOM 975 CA GLY A 70 -3.863 -7.872 16.998 1.00 32.51 C ATOM 976 C GLY A 70 -2.757 -8.898 16.846 1.00 11.35 C ATOM 977 O GLY A 70 -1.624 -8.553 16.512 1.00 4.12 O ATOM 0 H GLY A 70 -4.727 -9.198 18.371 1.00 32.50 H new ATOM 0 HA2 GLY A 70 -4.286 -7.651 16.018 1.00 32.51 H new ATOM 0 HA3 GLY A 70 -3.442 -6.942 17.381 1.00 32.51 H new ATOM 981 N ARG A 71 -3.086 -10.161 17.094 1.00 23.42 N ATOM 982 CA ARG A 71 -2.110 -11.240 16.986 1.00 14.31 C ATOM 983 C ARG A 71 -0.856 -10.921 17.794 1.00 43.11 C ATOM 984 O ARG A 71 0.258 -11.237 17.379 1.00 23.32 O ATOM 985 CB ARG A 71 -1.740 -11.476 15.521 1.00 71.12 C ATOM 986 CG ARG A 71 -2.920 -11.366 14.569 1.00 10.10 C ATOM 987 CD ARG A 71 -2.577 -10.521 13.352 1.00 61.42 C ATOM 988 NE ARG A 71 -2.758 -9.095 13.607 1.00 41.13 N ATOM 989 CZ ARG A 71 -2.838 -8.181 12.646 1.00 72.00 C ATOM 990 NH1 ARG A 71 -2.754 -8.543 11.373 1.00 35.23 N ATOM 991 NH2 ARG A 71 -3.003 -6.902 12.958 1.00 52.24 N ATOM 0 H ARG A 71 -4.020 -10.463 17.371 1.00 23.42 H new ATOM 0 HA ARG A 71 -2.561 -12.146 17.390 1.00 14.31 H new ATOM 0 HB2 ARG A 71 -0.978 -10.754 15.227 1.00 71.12 H new ATOM 0 HB3 ARG A 71 -1.296 -12.466 15.422 1.00 71.12 H new ATOM 0 HG2 ARG A 71 -3.224 -12.362 14.248 1.00 10.10 H new ATOM 0 HG3 ARG A 71 -3.770 -10.926 15.091 1.00 10.10 H new ATOM 0 HD2 ARG A 71 -1.544 -10.709 13.060 1.00 61.42 H new ATOM 0 HD3 ARG A 71 -3.205 -10.822 12.513 1.00 61.42 H new ATOM 0 HE ARG A 71 -2.827 -8.783 14.576 1.00 41.13 H new ATOM 0 HH11 ARG A 71 -2.628 -9.525 11.129 1.00 35.23 H new ATOM 0 HH12 ARG A 71 -2.816 -7.839 10.637 1.00 35.23 H new ATOM 0 HH21 ARG A 71 -3.068 -6.620 13.936 1.00 52.24 H new ATOM 0 HH22 ARG A 71 -3.064 -6.201 12.220 1.00 52.24 H new ATOM 1005 N ASN A 72 -1.046 -10.292 18.949 1.00 1.12 N ATOM 1006 CA ASN A 72 0.070 -9.929 19.815 1.00 64.22 C ATOM 1007 C ASN A 72 0.207 -10.917 20.970 1.00 53.14 C ATOM 1008 O ASN A 72 -0.708 -11.692 21.248 1.00 61.20 O ATOM 1009 CB ASN A 72 -0.120 -8.512 20.360 1.00 23.54 C ATOM 1010 CG ASN A 72 0.704 -7.487 19.606 1.00 50.13 C ATOM 1011 OD1 ASN A 72 1.825 -7.164 19.999 1.00 41.14 O ATOM 1012 ND2 ASN A 72 0.150 -6.969 18.516 1.00 74.23 N ATOM 0 H ASN A 72 -1.962 -10.023 19.307 1.00 1.12 H new ATOM 0 HA ASN A 72 0.984 -9.963 19.222 1.00 64.22 H new ATOM 0 HB2 ASN A 72 -1.174 -8.241 20.301 1.00 23.54 H new ATOM 0 HB3 ASN A 72 0.156 -8.491 21.414 1.00 23.54 H new ATOM 0 HD21 ASN A 72 0.656 -6.274 17.968 1.00 74.23 H new ATOM 0 HD22 ASN A 72 -0.782 -7.266 18.227 1.00 74.23 H new ATOM 1019 N SER A 73 1.355 -10.882 21.639 1.00 72.15 N ATOM 1020 CA SER A 73 1.613 -11.776 22.761 1.00 34.03 C ATOM 1021 C SER A 73 0.721 -11.427 23.949 1.00 4.14 C ATOM 1022 O SER A 73 0.427 -12.278 24.789 1.00 12.51 O ATOM 1023 CB SER A 73 3.084 -11.700 23.173 1.00 21.34 C ATOM 1024 OG SER A 73 3.471 -10.363 23.438 1.00 24.11 O ATOM 0 H SER A 73 2.121 -10.244 21.423 1.00 72.15 H new ATOM 0 HA SER A 73 1.385 -12.793 22.444 1.00 34.03 H new ATOM 0 HB2 SER A 73 3.249 -12.312 24.060 1.00 21.34 H new ATOM 0 HB3 SER A 73 3.709 -12.112 22.381 1.00 21.34 H new ATOM 0 HG SER A 73 4.415 -10.342 23.701 1.00 24.11 H new ATOM 1030 N TRP A 74 0.296 -10.170 24.012 1.00 22.44 N ATOM 1031 CA TRP A 74 -0.562 -9.708 25.097 1.00 4.45 C ATOM 1032 C TRP A 74 -2.011 -10.117 24.858 1.00 3.22 C ATOM 1033 O TRP A 74 -2.896 -9.791 25.648 1.00 25.14 O ATOM 1034 CB TRP A 74 -0.465 -8.188 25.239 1.00 44.32 C ATOM 1035 CG TRP A 74 -0.915 -7.447 24.016 1.00 33.41 C ATOM 1036 CD1 TRP A 74 -2.155 -7.488 23.444 1.00 43.21 C ATOM 1037 CD2 TRP A 74 -0.130 -6.558 23.215 1.00 61.25 C ATOM 1038 NE1 TRP A 74 -2.187 -6.677 22.335 1.00 71.32 N ATOM 1039 CE2 TRP A 74 -0.958 -6.095 22.173 1.00 22.11 C ATOM 1040 CE3 TRP A 74 1.191 -6.107 23.276 1.00 10.53 C ATOM 1041 CZ2 TRP A 74 -0.505 -5.205 21.203 1.00 14.41 C ATOM 1042 CZ3 TRP A 74 1.639 -5.223 22.313 1.00 55.04 C ATOM 1043 CH2 TRP A 74 0.792 -4.779 21.288 1.00 44.12 C ATOM 0 H TRP A 74 0.531 -9.453 23.325 1.00 22.44 H new ATOM 0 HA TRP A 74 -0.220 -10.175 26.021 1.00 4.45 H new ATOM 0 HB2 TRP A 74 -1.068 -7.871 26.090 1.00 44.32 H new ATOM 0 HB3 TRP A 74 0.567 -7.916 25.461 1.00 44.32 H new ATOM 0 HD1 TRP A 74 -2.987 -8.072 23.809 1.00 43.21 H new ATOM 0 HE1 TRP A 74 -2.995 -6.532 21.730 1.00 71.32 H new ATOM 0 HE3 TRP A 74 1.851 -6.443 24.062 1.00 10.53 H new ATOM 0 HZ2 TRP A 74 -1.155 -4.863 20.411 1.00 14.41 H new ATOM 0 HZ3 TRP A 74 2.658 -4.868 22.351 1.00 55.04 H new ATOM 0 HH2 TRP A 74 1.171 -4.087 20.551 1.00 44.12 H new ATOM 1054 N ASN A 75 -2.246 -10.833 23.763 1.00 0.53 N ATOM 1055 CA ASN A 75 -3.589 -11.286 23.420 1.00 11.15 C ATOM 1056 C ASN A 75 -3.966 -12.526 24.224 1.00 32.54 C ATOM 1057 O ASN A 75 -5.090 -13.022 24.132 1.00 1.43 O ATOM 1058 CB ASN A 75 -3.682 -11.587 21.923 1.00 24.12 C ATOM 1059 CG ASN A 75 -4.941 -11.021 21.296 1.00 2.42 C ATOM 1060 OD1 ASN A 75 -4.882 -10.305 20.297 1.00 42.55 O ATOM 1061 ND2 ASN A 75 -6.089 -11.340 21.883 1.00 43.42 N ATOM 0 H ASN A 75 -1.524 -11.112 23.098 1.00 0.53 H new ATOM 0 HA ASN A 75 -4.289 -10.488 23.667 1.00 11.15 H new ATOM 0 HB2 ASN A 75 -2.810 -11.173 21.417 1.00 24.12 H new ATOM 0 HB3 ASN A 75 -3.657 -12.666 21.770 1.00 24.12 H new ATOM 0 HD21 ASN A 75 -6.969 -10.988 21.507 1.00 43.42 H new ATOM 0 HD22 ASN A 75 -6.090 -11.937 22.710 1.00 43.42 H new ATOM 1068 N CYS A 76 -3.020 -13.024 25.013 1.00 3.13 N ATOM 1069 CA CYS A 76 -3.251 -14.206 25.834 1.00 21.22 C ATOM 1070 C CYS A 76 -3.514 -13.817 27.286 1.00 33.31 C ATOM 1071 O CYS A 76 -2.588 -13.504 28.034 1.00 44.04 O ATOM 1072 CB CYS A 76 -2.049 -15.149 25.757 1.00 24.34 C ATOM 1073 SG CYS A 76 -2.391 -16.723 24.906 1.00 40.35 S ATOM 0 H CYS A 76 -2.085 -12.626 25.101 1.00 3.13 H new ATOM 0 HA CYS A 76 -4.132 -14.719 25.448 1.00 21.22 H new ATOM 0 HB2 CYS A 76 -1.234 -14.640 25.243 1.00 24.34 H new ATOM 0 HB3 CYS A 76 -1.703 -15.363 26.768 1.00 24.34 H new ATOM 1078 N ASP A 77 -4.783 -13.840 27.678 1.00 75.32 N ATOM 1079 CA ASP A 77 -5.170 -13.492 29.040 1.00 4.22 C ATOM 1080 C ASP A 77 -5.827 -14.678 29.739 1.00 52.31 C ATOM 1081 O ASP A 77 -6.382 -14.540 30.829 1.00 13.52 O ATOM 1082 CB ASP A 77 -6.123 -12.296 29.033 1.00 40.34 C ATOM 1083 CG ASP A 77 -5.483 -11.049 28.453 1.00 34.23 C ATOM 1084 OD1 ASP A 77 -4.315 -10.770 28.793 1.00 2.11 O ATOM 1085 OD2 ASP A 77 -6.152 -10.353 27.661 1.00 43.51 O ATOM 0 H ASP A 77 -5.562 -14.096 27.071 1.00 75.32 H new ATOM 0 HA ASP A 77 -4.268 -13.224 29.590 1.00 4.22 H new ATOM 0 HB2 ASP A 77 -7.012 -12.547 28.455 1.00 40.34 H new ATOM 0 HB3 ASP A 77 -6.452 -12.092 30.052 1.00 40.34 H new ATOM 1090 N PHE A 78 -5.762 -15.843 29.103 1.00 3.04 N ATOM 1091 CA PHE A 78 -6.352 -17.053 29.663 1.00 75.21 C ATOM 1092 C PHE A 78 -5.757 -17.366 31.032 1.00 25.42 C ATOM 1093 O PHE A 78 -6.424 -17.231 32.057 1.00 11.24 O ATOM 1094 CB PHE A 78 -6.136 -18.236 28.717 1.00 22.20 C ATOM 1095 CG PHE A 78 -7.006 -18.193 27.494 1.00 51.13 C ATOM 1096 CD1 PHE A 78 -7.483 -16.986 27.009 1.00 41.50 C ATOM 1097 CD2 PHE A 78 -7.347 -19.359 26.828 1.00 21.20 C ATOM 1098 CE1 PHE A 78 -8.285 -16.943 25.884 1.00 65.00 C ATOM 1099 CE2 PHE A 78 -8.148 -19.323 25.702 1.00 0.11 C ATOM 1100 CZ PHE A 78 -8.616 -18.113 25.229 1.00 14.00 C ATOM 0 H PHE A 78 -5.307 -15.975 28.200 1.00 3.04 H new ATOM 0 HA PHE A 78 -7.422 -16.883 29.783 1.00 75.21 H new ATOM 0 HB2 PHE A 78 -5.091 -18.258 28.409 1.00 22.20 H new ATOM 0 HB3 PHE A 78 -6.329 -19.163 29.257 1.00 22.20 H new ATOM 0 HD1 PHE A 78 -7.225 -16.068 27.516 1.00 41.50 H new ATOM 0 HD2 PHE A 78 -6.982 -20.308 27.193 1.00 21.20 H new ATOM 0 HE1 PHE A 78 -8.652 -15.996 25.518 1.00 65.00 H new ATOM 0 HE2 PHE A 78 -8.407 -20.240 25.193 1.00 0.11 H new ATOM 0 HZ PHE A 78 -9.240 -18.082 24.348 1.00 14.00 H new ATOM 1110 N SER A 79 -4.496 -17.787 31.040 1.00 44.10 N ATOM 1111 CA SER A 79 -3.810 -18.124 32.282 1.00 61.10 C ATOM 1112 C SER A 79 -2.337 -18.429 32.024 1.00 34.00 C ATOM 1113 O SER A 79 -1.880 -18.410 30.882 1.00 51.33 O ATOM 1114 CB SER A 79 -4.482 -19.325 32.950 1.00 23.13 C ATOM 1115 OG SER A 79 -5.086 -18.954 34.177 1.00 22.03 O ATOM 0 H SER A 79 -3.929 -17.903 30.200 1.00 44.10 H new ATOM 0 HA SER A 79 -3.873 -17.264 32.948 1.00 61.10 H new ATOM 0 HB2 SER A 79 -5.235 -19.742 32.282 1.00 23.13 H new ATOM 0 HB3 SER A 79 -3.744 -20.107 33.126 1.00 23.13 H new ATOM 0 HG SER A 79 -5.778 -18.280 34.011 1.00 22.03 H new ATOM 1121 N GLN A 80 -1.602 -18.710 33.095 1.00 64.14 N ATOM 1122 CA GLN A 80 -0.181 -19.019 32.985 1.00 43.53 C ATOM 1123 C GLN A 80 0.037 -20.311 32.204 1.00 2.42 C ATOM 1124 O GLN A 80 1.174 -20.714 31.955 1.00 74.42 O ATOM 1125 CB GLN A 80 0.446 -19.137 34.375 1.00 41.30 C ATOM 1126 CG GLN A 80 1.778 -18.415 34.505 1.00 33.14 C ATOM 1127 CD GLN A 80 1.675 -17.145 35.327 1.00 63.12 C ATOM 1128 OE1 GLN A 80 1.800 -16.039 34.800 1.00 73.34 O ATOM 1129 NE2 GLN A 80 1.447 -17.297 36.626 1.00 2.11 N ATOM 0 H GLN A 80 -1.966 -18.730 34.048 1.00 64.14 H new ATOM 0 HA GLN A 80 0.301 -18.204 32.445 1.00 43.53 H new ATOM 0 HB2 GLN A 80 -0.249 -18.736 35.113 1.00 41.30 H new ATOM 0 HB3 GLN A 80 0.589 -20.191 34.612 1.00 41.30 H new ATOM 0 HG2 GLN A 80 2.506 -19.083 34.965 1.00 33.14 H new ATOM 0 HG3 GLN A 80 2.153 -18.171 33.511 1.00 33.14 H new ATOM 0 HE21 GLN A 80 1.350 -18.233 37.021 1.00 2.11 H new ATOM 0 HE22 GLN A 80 1.369 -16.478 37.229 1.00 2.11 H new ATOM 1138 N THR A 81 -1.060 -20.957 31.821 1.00 44.34 N ATOM 1139 CA THR A 81 -0.989 -22.204 31.070 1.00 42.11 C ATOM 1140 C THR A 81 -1.165 -21.957 29.576 1.00 32.20 C ATOM 1141 O THR A 81 -0.382 -22.443 28.760 1.00 11.15 O ATOM 1142 CB THR A 81 -2.059 -23.206 31.543 1.00 2.10 C ATOM 1143 OG1 THR A 81 -3.357 -22.771 31.124 1.00 40.24 O ATOM 1144 CG2 THR A 81 -2.032 -23.352 33.057 1.00 1.40 C ATOM 0 H THR A 81 -2.008 -20.637 32.019 1.00 44.34 H new ATOM 0 HA THR A 81 -0.001 -22.626 31.251 1.00 42.11 H new ATOM 0 HB THR A 81 -1.840 -24.176 31.096 1.00 2.10 H new ATOM 0 HG1 THR A 81 -3.873 -22.482 31.905 1.00 40.24 H new ATOM 0 HG21 THR A 81 -2.796 -24.065 33.368 1.00 1.40 H new ATOM 0 HG22 THR A 81 -1.052 -23.711 33.370 1.00 1.40 H new ATOM 0 HG23 THR A 81 -2.229 -22.385 33.519 1.00 1.40 H new ATOM 1152 N ALA A 82 -2.198 -21.199 29.224 1.00 13.31 N ATOM 1153 CA ALA A 82 -2.475 -20.885 27.828 1.00 73.42 C ATOM 1154 C ALA A 82 -1.608 -19.729 27.342 1.00 22.21 C ATOM 1155 O ALA A 82 -1.975 -19.012 26.410 1.00 23.05 O ATOM 1156 CB ALA A 82 -3.949 -20.556 27.643 1.00 12.34 C ATOM 0 H ALA A 82 -2.857 -20.791 29.887 1.00 13.31 H new ATOM 0 HA ALA A 82 -2.232 -21.763 27.229 1.00 73.42 H new ATOM 0 HB1 ALA A 82 -4.141 -20.323 26.596 1.00 12.34 H new ATOM 0 HB2 ALA A 82 -4.553 -21.413 27.941 1.00 12.34 H new ATOM 0 HB3 ALA A 82 -4.210 -19.696 28.259 1.00 12.34 H new ATOM 1162 N THR A 83 -0.455 -19.552 27.979 1.00 24.14 N ATOM 1163 CA THR A 83 0.464 -18.482 27.614 1.00 44.35 C ATOM 1164 C THR A 83 1.396 -18.917 26.488 1.00 32.42 C ATOM 1165 O THR A 83 1.298 -20.038 25.986 1.00 20.13 O ATOM 1166 CB THR A 83 1.310 -18.031 28.819 1.00 3.13 C ATOM 1167 OG1 THR A 83 1.976 -16.799 28.518 1.00 71.43 O ATOM 1168 CG2 THR A 83 2.337 -19.091 29.187 1.00 62.53 C ATOM 0 H THR A 83 -0.135 -20.137 28.751 1.00 24.14 H new ATOM 0 HA THR A 83 -0.146 -17.645 27.275 1.00 44.35 H new ATOM 0 HB THR A 83 0.642 -17.884 29.668 1.00 3.13 H new ATOM 0 HG1 THR A 83 2.510 -16.519 29.290 1.00 71.43 H new ATOM 0 HG21 THR A 83 2.922 -18.750 30.041 1.00 62.53 H new ATOM 0 HG22 THR A 83 1.826 -20.019 29.445 1.00 62.53 H new ATOM 0 HG23 THR A 83 3.000 -19.265 28.339 1.00 62.53 H new ATOM 1176 N LEU A 84 2.299 -18.026 26.096 1.00 24.11 N ATOM 1177 CA LEU A 84 3.250 -18.319 25.029 1.00 23.23 C ATOM 1178 C LEU A 84 4.230 -19.408 25.457 1.00 54.24 C ATOM 1179 O LEU A 84 4.818 -19.340 26.536 1.00 24.21 O ATOM 1180 CB LEU A 84 4.015 -17.053 24.639 1.00 25.43 C ATOM 1181 CG LEU A 84 3.196 -15.957 23.957 1.00 63.43 C ATOM 1182 CD1 LEU A 84 2.563 -16.482 22.678 1.00 63.54 C ATOM 1183 CD2 LEU A 84 2.130 -15.422 24.901 1.00 32.31 C ATOM 0 H LEU A 84 2.393 -17.094 26.501 1.00 24.11 H new ATOM 0 HA LEU A 84 2.690 -18.678 24.165 1.00 23.23 H new ATOM 0 HB2 LEU A 84 4.467 -16.634 25.538 1.00 25.43 H new ATOM 0 HB3 LEU A 84 4.831 -17.336 23.974 1.00 25.43 H new ATOM 0 HG LEU A 84 3.866 -15.138 23.697 1.00 63.43 H new ATOM 0 HD11 LEU A 84 1.984 -15.688 22.206 1.00 63.54 H new ATOM 0 HD12 LEU A 84 3.345 -16.816 21.996 1.00 63.54 H new ATOM 0 HD13 LEU A 84 1.906 -17.319 22.914 1.00 63.54 H new ATOM 0 HD21 LEU A 84 1.557 -14.643 24.399 1.00 32.31 H new ATOM 0 HD22 LEU A 84 1.462 -16.233 25.193 1.00 32.31 H new ATOM 0 HD23 LEU A 84 2.606 -15.007 25.789 1.00 32.31 H new ATOM 1195 N THR A 85 4.401 -20.411 24.601 1.00 24.25 N ATOM 1196 CA THR A 85 5.310 -21.514 24.889 1.00 11.34 C ATOM 1197 C THR A 85 6.581 -21.411 24.055 1.00 44.22 C ATOM 1198 O THR A 85 6.654 -20.624 23.112 1.00 71.11 O ATOM 1199 CB THR A 85 4.643 -22.876 24.622 1.00 73.02 C ATOM 1200 OG1 THR A 85 5.265 -23.891 25.417 1.00 30.04 O ATOM 1201 CG2 THR A 85 4.741 -23.247 23.150 1.00 41.02 C ATOM 0 H THR A 85 3.922 -20.482 23.703 1.00 24.25 H new ATOM 0 HA THR A 85 5.566 -21.444 25.946 1.00 11.34 H new ATOM 0 HB THR A 85 3.590 -22.799 24.892 1.00 73.02 H new ATOM 0 HG1 THR A 85 4.834 -24.753 25.242 1.00 30.04 H new ATOM 0 HG21 THR A 85 4.263 -24.213 22.986 1.00 41.02 H new ATOM 0 HG22 THR A 85 4.241 -22.488 22.549 1.00 41.02 H new ATOM 0 HG23 THR A 85 5.790 -23.307 22.859 1.00 41.02 H new ATOM 1209 N ASN A 86 7.582 -22.211 24.408 1.00 71.31 N ATOM 1210 CA ASN A 86 8.852 -22.210 23.690 1.00 15.13 C ATOM 1211 C ASN A 86 8.632 -22.425 22.196 1.00 50.32 C ATOM 1212 O ASN A 86 7.503 -22.362 21.707 1.00 44.22 O ATOM 1213 CB ASN A 86 9.775 -23.297 24.243 1.00 32.51 C ATOM 1214 CG ASN A 86 9.638 -23.464 25.744 1.00 3.32 C ATOM 1215 OD1 ASN A 86 9.613 -22.484 26.489 1.00 55.43 O ATOM 1216 ND2 ASN A 86 9.550 -24.709 26.196 1.00 63.42 N ATOM 0 H ASN A 86 7.538 -22.868 25.187 1.00 71.31 H new ATOM 0 HA ASN A 86 9.322 -21.237 23.834 1.00 15.13 H new ATOM 0 HB2 ASN A 86 9.550 -24.244 23.753 1.00 32.51 H new ATOM 0 HB3 ASN A 86 10.809 -23.050 24.001 1.00 32.51 H new ATOM 0 HD21 ASN A 86 9.457 -24.883 27.197 1.00 63.42 H new ATOM 0 HD22 ASN A 86 9.575 -25.492 25.543 1.00 63.42 H new ATOM 1223 N THR A 87 9.719 -22.680 21.474 1.00 0.50 N ATOM 1224 CA THR A 87 9.646 -22.903 20.036 1.00 64.32 C ATOM 1225 C THR A 87 8.490 -23.831 19.681 1.00 32.04 C ATOM 1226 O THR A 87 7.858 -24.414 20.561 1.00 14.11 O ATOM 1227 CB THR A 87 10.957 -23.505 19.494 1.00 53.01 C ATOM 1228 OG1 THR A 87 11.678 -24.143 20.554 1.00 42.51 O ATOM 1229 CG2 THR A 87 11.824 -22.429 18.859 1.00 43.22 C ATOM 0 H THR A 87 10.660 -22.737 21.862 1.00 0.50 H new ATOM 0 HA THR A 87 9.482 -21.930 19.573 1.00 64.32 H new ATOM 0 HB THR A 87 10.705 -24.242 18.732 1.00 53.01 H new ATOM 0 HG1 THR A 87 12.509 -24.524 20.201 1.00 42.51 H new ATOM 0 HG21 THR A 87 12.744 -22.877 18.484 1.00 43.22 H new ATOM 0 HG22 THR A 87 11.283 -21.966 18.034 1.00 43.22 H new ATOM 0 HG23 THR A 87 12.067 -21.671 19.604 1.00 43.22 H new ATOM 1237 N ASN A 88 8.219 -23.964 18.387 1.00 10.30 N ATOM 1238 CA ASN A 88 7.138 -24.822 17.916 1.00 14.35 C ATOM 1239 C ASN A 88 7.257 -26.222 18.510 1.00 71.22 C ATOM 1240 O ASN A 88 8.111 -27.018 18.119 1.00 73.33 O ATOM 1241 CB ASN A 88 7.149 -24.900 16.389 1.00 70.25 C ATOM 1242 CG ASN A 88 5.974 -25.687 15.841 1.00 13.03 C ATOM 1243 OD1 ASN A 88 6.150 -26.646 15.090 1.00 63.11 O ATOM 1244 ND2 ASN A 88 4.766 -25.283 16.216 1.00 35.25 N ATOM 0 H ASN A 88 8.733 -23.488 17.646 1.00 10.30 H new ATOM 0 HA ASN A 88 6.194 -24.387 18.243 1.00 14.35 H new ATOM 0 HB2 ASN A 88 7.131 -23.891 15.976 1.00 70.25 H new ATOM 0 HB3 ASN A 88 8.079 -25.363 16.058 1.00 70.25 H new ATOM 0 HD21 ASN A 88 3.937 -25.773 15.880 1.00 35.25 H new ATOM 0 HD22 ASN A 88 4.667 -24.483 16.840 1.00 35.25 H new ATOM 1251 N PRO A 89 6.380 -26.532 19.477 1.00 44.23 N ATOM 1252 CA PRO A 89 6.366 -27.837 20.144 1.00 2.10 C ATOM 1253 C PRO A 89 5.892 -28.955 19.221 1.00 4.43 C ATOM 1254 O PRO A 89 5.843 -30.120 19.616 1.00 3.51 O ATOM 1255 CB PRO A 89 5.376 -27.637 21.294 1.00 53.32 C ATOM 1256 CG PRO A 89 4.481 -26.537 20.836 1.00 72.44 C ATOM 1257 CD PRO A 89 5.335 -25.632 19.993 1.00 44.33 C ATOM 0 HA PRO A 89 7.362 -28.140 20.468 1.00 2.10 H new ATOM 0 HB2 PRO A 89 4.813 -28.548 21.494 1.00 53.32 H new ATOM 0 HB3 PRO A 89 5.890 -27.371 22.217 1.00 53.32 H new ATOM 0 HG2 PRO A 89 3.643 -26.930 20.261 1.00 72.44 H new ATOM 0 HG3 PRO A 89 4.060 -25.998 21.684 1.00 72.44 H new ATOM 0 HD2 PRO A 89 4.762 -25.177 19.185 1.00 44.33 H new ATOM 0 HD3 PRO A 89 5.760 -24.818 20.581 1.00 44.33 H new ATOM 1265 N SER A 90 5.545 -28.592 17.991 1.00 71.45 N ATOM 1266 CA SER A 90 5.072 -29.565 17.012 1.00 13.24 C ATOM 1267 C SER A 90 6.045 -30.733 16.893 1.00 23.42 C ATOM 1268 O SER A 90 7.155 -30.582 16.381 1.00 11.24 O ATOM 1269 CB SER A 90 4.887 -28.899 15.648 1.00 43.45 C ATOM 1270 OG SER A 90 4.024 -29.660 14.821 1.00 41.01 O ATOM 0 H SER A 90 5.582 -27.632 17.648 1.00 71.45 H new ATOM 0 HA SER A 90 4.111 -29.949 17.354 1.00 13.24 H new ATOM 0 HB2 SER A 90 4.478 -27.898 15.781 1.00 43.45 H new ATOM 0 HB3 SER A 90 5.856 -28.785 15.161 1.00 43.45 H new ATOM 0 HG SER A 90 3.408 -30.179 15.380 1.00 41.01 H new ATOM 1276 N TYR A 91 5.622 -31.899 17.369 1.00 12.25 N ATOM 1277 CA TYR A 91 6.456 -33.094 17.319 1.00 11.43 C ATOM 1278 C TYR A 91 6.281 -33.825 15.992 1.00 44.54 C ATOM 1279 O TYR A 91 7.112 -34.647 15.609 1.00 61.22 O ATOM 1280 CB TYR A 91 6.112 -34.030 18.479 1.00 63.11 C ATOM 1281 CG TYR A 91 4.639 -34.057 18.819 1.00 23.31 C ATOM 1282 CD1 TYR A 91 3.734 -34.743 18.019 1.00 32.43 C ATOM 1283 CD2 TYR A 91 4.153 -33.397 19.941 1.00 23.42 C ATOM 1284 CE1 TYR A 91 2.387 -34.770 18.326 1.00 21.11 C ATOM 1285 CE2 TYR A 91 2.808 -33.420 20.257 1.00 44.05 C ATOM 1286 CZ TYR A 91 1.929 -34.107 19.446 1.00 64.23 C ATOM 1287 OH TYR A 91 0.589 -34.133 19.755 1.00 12.44 O ATOM 0 H TYR A 91 4.706 -32.042 17.794 1.00 12.25 H new ATOM 0 HA TYR A 91 7.497 -32.784 17.408 1.00 11.43 H new ATOM 0 HB2 TYR A 91 6.437 -35.040 18.229 1.00 63.11 H new ATOM 0 HB3 TYR A 91 6.674 -33.724 19.361 1.00 63.11 H new ATOM 0 HD1 TYR A 91 4.089 -35.264 17.142 1.00 32.43 H new ATOM 0 HD2 TYR A 91 4.838 -32.857 20.577 1.00 23.42 H new ATOM 0 HE1 TYR A 91 1.696 -35.307 17.693 1.00 21.11 H new ATOM 0 HE2 TYR A 91 2.447 -32.903 21.134 1.00 44.05 H new ATOM 0 HH TYR A 91 0.432 -33.619 20.574 1.00 12.44 H new ATOM 1297 N GLY A 92 5.193 -33.517 15.292 1.00 1.44 N ATOM 1298 CA GLY A 92 4.928 -34.152 14.015 1.00 52.42 C ATOM 1299 C GLY A 92 3.673 -33.618 13.352 1.00 64.43 C ATOM 1300 O GLY A 92 3.570 -32.424 13.072 1.00 25.45 O ATOM 0 H GLY A 92 4.491 -32.839 15.587 1.00 1.44 H new ATOM 0 HA2 GLY A 92 5.779 -33.998 13.352 1.00 52.42 H new ATOM 0 HA3 GLY A 92 4.829 -35.228 14.161 1.00 52.42 H new ATOM 1304 N ALA A 93 2.717 -34.506 13.097 1.00 5.03 N ATOM 1305 CA ALA A 93 1.464 -34.118 12.463 1.00 12.21 C ATOM 1306 C ALA A 93 0.713 -33.096 13.310 1.00 3.22 C ATOM 1307 O ALA A 93 0.060 -32.196 12.782 1.00 74.14 O ATOM 1308 CB ALA A 93 0.595 -35.343 12.218 1.00 41.34 C ATOM 0 H ALA A 93 2.787 -35.499 13.320 1.00 5.03 H new ATOM 0 HA ALA A 93 1.699 -33.655 11.505 1.00 12.21 H new ATOM 0 HB1 ALA A 93 -0.338 -35.038 11.744 1.00 41.34 H new ATOM 0 HB2 ALA A 93 1.123 -36.039 11.566 1.00 41.34 H new ATOM 0 HB3 ALA A 93 0.377 -35.830 13.168 1.00 41.34 H new ATOM 1314 N CYS A 94 0.811 -33.240 14.628 1.00 72.35 N ATOM 1315 CA CYS A 94 0.140 -32.331 15.549 1.00 44.23 C ATOM 1316 C CYS A 94 0.884 -31.002 15.639 1.00 45.54 C ATOM 1317 O CYS A 94 1.909 -30.896 16.312 1.00 72.33 O ATOM 1318 CB CYS A 94 0.035 -32.964 16.938 1.00 43.05 C ATOM 1319 SG CYS A 94 -1.669 -33.097 17.567 1.00 61.30 S ATOM 0 H CYS A 94 1.349 -33.978 15.082 1.00 72.35 H new ATOM 0 HA CYS A 94 -0.863 -32.141 15.167 1.00 44.23 H new ATOM 0 HB2 CYS A 94 0.478 -33.959 16.906 1.00 43.05 H new ATOM 0 HB3 CYS A 94 0.625 -32.375 17.640 1.00 43.05 H new ATOM 1324 N ASN A 95 0.361 -29.989 14.955 1.00 34.12 N ATOM 1325 CA ASN A 95 0.975 -28.666 14.957 1.00 30.43 C ATOM 1326 C ASN A 95 0.269 -27.740 15.943 1.00 22.53 C ATOM 1327 O ASN A 95 -0.956 -27.762 16.064 1.00 41.45 O ATOM 1328 CB ASN A 95 0.935 -28.060 13.553 1.00 31.31 C ATOM 1329 CG ASN A 95 2.285 -27.525 13.116 1.00 72.24 C ATOM 1330 OD1 ASN A 95 2.686 -26.429 13.505 1.00 1.51 O ATOM 1331 ND2 ASN A 95 2.992 -28.300 12.301 1.00 4.33 N ATOM 0 H ASN A 95 -0.487 -30.059 14.392 1.00 34.12 H new ATOM 0 HA ASN A 95 2.014 -28.776 15.269 1.00 30.43 H new ATOM 0 HB2 ASN A 95 0.600 -28.816 12.843 1.00 31.31 H new ATOM 0 HB3 ASN A 95 0.202 -27.253 13.529 1.00 31.31 H new ATOM 0 HD21 ASN A 95 3.907 -27.993 11.972 1.00 4.33 H new ATOM 0 HD22 ASN A 95 2.619 -29.202 12.004 1.00 4.33 H new ATOM 1338 N PHE A 96 1.051 -26.928 16.647 1.00 52.23 N ATOM 1339 CA PHE A 96 0.501 -25.994 17.623 1.00 44.03 C ATOM 1340 C PHE A 96 0.228 -24.636 16.982 1.00 22.14 C ATOM 1341 O PHE A 96 0.946 -24.188 16.088 1.00 54.40 O ATOM 1342 CB PHE A 96 1.463 -25.830 18.801 1.00 24.53 C ATOM 1343 CG PHE A 96 1.335 -26.913 19.835 1.00 51.04 C ATOM 1344 CD1 PHE A 96 1.495 -28.244 19.486 1.00 74.43 C ATOM 1345 CD2 PHE A 96 1.055 -26.599 21.155 1.00 61.22 C ATOM 1346 CE1 PHE A 96 1.376 -29.242 20.434 1.00 20.44 C ATOM 1347 CE2 PHE A 96 0.936 -27.593 22.108 1.00 11.01 C ATOM 1348 CZ PHE A 96 1.098 -28.916 21.747 1.00 34.24 C ATOM 0 H PHE A 96 2.067 -26.898 16.560 1.00 52.23 H new ATOM 0 HA PHE A 96 -0.442 -26.401 17.987 1.00 44.03 H new ATOM 0 HB2 PHE A 96 2.486 -25.817 18.425 1.00 24.53 H new ATOM 0 HB3 PHE A 96 1.284 -24.864 19.274 1.00 24.53 H new ATOM 0 HD1 PHE A 96 1.715 -28.505 18.461 1.00 74.43 H new ATOM 0 HD2 PHE A 96 0.928 -25.566 21.443 1.00 61.22 H new ATOM 0 HE1 PHE A 96 1.500 -30.276 20.149 1.00 20.44 H new ATOM 0 HE2 PHE A 96 0.717 -27.335 23.134 1.00 11.01 H new ATOM 0 HZ PHE A 96 1.007 -29.694 22.490 1.00 34.24 H new ATOM 1358 N PRO A 97 -0.835 -23.965 17.450 1.00 21.21 N ATOM 1359 CA PRO A 97 -1.228 -22.649 16.938 1.00 33.20 C ATOM 1360 C PRO A 97 -0.242 -21.555 17.332 1.00 64.31 C ATOM 1361 O PRO A 97 0.022 -21.340 18.515 1.00 74.20 O ATOM 1362 CB PRO A 97 -2.589 -22.405 17.596 1.00 5.42 C ATOM 1363 CG PRO A 97 -2.561 -23.226 18.839 1.00 52.12 C ATOM 1364 CD PRO A 97 -1.734 -24.439 18.515 1.00 35.50 C ATOM 0 HA PRO A 97 -1.255 -22.627 15.849 1.00 33.20 H new ATOM 0 HB2 PRO A 97 -2.736 -21.349 17.822 1.00 5.42 H new ATOM 0 HB3 PRO A 97 -3.406 -22.707 16.940 1.00 5.42 H new ATOM 0 HG2 PRO A 97 -2.125 -22.666 19.667 1.00 52.12 H new ATOM 0 HG3 PRO A 97 -3.569 -23.510 19.142 1.00 52.12 H new ATOM 0 HD2 PRO A 97 -1.177 -24.790 19.384 1.00 35.50 H new ATOM 0 HD3 PRO A 97 -2.354 -25.269 18.177 1.00 35.50 H new ATOM 1372 N SER A 98 0.301 -20.867 16.333 1.00 40.50 N ATOM 1373 CA SER A 98 1.262 -19.797 16.575 1.00 14.54 C ATOM 1374 C SER A 98 0.566 -18.439 16.611 1.00 74.42 C ATOM 1375 O SER A 98 1.140 -17.446 17.054 1.00 11.14 O ATOM 1376 CB SER A 98 2.344 -19.799 15.494 1.00 31.41 C ATOM 1377 OG SER A 98 1.872 -19.203 14.299 1.00 52.35 O ATOM 0 H SER A 98 0.092 -21.031 15.348 1.00 40.50 H new ATOM 0 HA SER A 98 1.727 -19.974 17.545 1.00 14.54 H new ATOM 0 HB2 SER A 98 3.221 -19.259 15.852 1.00 31.41 H new ATOM 0 HB3 SER A 98 2.660 -20.823 15.293 1.00 31.41 H new ATOM 0 HG SER A 98 1.946 -18.228 14.368 1.00 52.35 H new ATOM 1383 N GLY A 99 -0.677 -18.406 16.139 1.00 32.02 N ATOM 1384 CA GLY A 99 -1.432 -17.167 16.125 1.00 13.21 C ATOM 1385 C GLY A 99 -0.977 -16.223 15.030 1.00 4.44 C ATOM 1386 O GLY A 99 -1.772 -15.810 14.187 1.00 50.53 O ATOM 0 H GLY A 99 -1.174 -19.215 15.766 1.00 32.02 H new ATOM 0 HA2 GLY A 99 -2.490 -17.391 15.990 1.00 13.21 H new ATOM 0 HA3 GLY A 99 -1.331 -16.673 17.091 1.00 13.21 H new ATOM 1390 N SER A 100 0.307 -15.878 15.044 1.00 22.54 N ATOM 1391 CA SER A 100 0.867 -14.972 14.048 1.00 34.23 C ATOM 1392 C SER A 100 1.361 -15.744 12.828 1.00 12.25 C ATOM 1393 O SER A 100 1.326 -16.973 12.802 1.00 23.24 O ATOM 1394 CB SER A 100 2.015 -14.162 14.653 1.00 53.21 C ATOM 1395 OG SER A 100 2.124 -12.892 14.034 1.00 14.41 O ATOM 0 H SER A 100 0.979 -16.213 15.735 1.00 22.54 H new ATOM 0 HA SER A 100 0.079 -14.290 13.729 1.00 34.23 H new ATOM 0 HB2 SER A 100 1.851 -14.036 15.723 1.00 53.21 H new ATOM 0 HB3 SER A 100 2.951 -14.708 14.536 1.00 53.21 H new ATOM 0 HG SER A 100 2.864 -12.393 14.439 1.00 14.41 H new ATOM 1401 N ASN A 101 1.821 -15.011 11.819 1.00 33.42 N ATOM 1402 CA ASN A 101 2.322 -15.626 10.595 1.00 11.32 C ATOM 1403 C ASN A 101 3.822 -15.887 10.692 1.00 10.43 C ATOM 1404 O ASN A 101 4.461 -16.264 9.710 1.00 33.34 O ATOM 1405 CB ASN A 101 2.026 -14.729 9.391 1.00 13.04 C ATOM 1406 CG ASN A 101 2.881 -13.477 9.379 1.00 65.03 C ATOM 1407 OD1 ASN A 101 2.781 -12.634 10.270 1.00 10.11 O ATOM 1408 ND2 ASN A 101 3.729 -13.350 8.364 1.00 23.44 N ATOM 0 H ASN A 101 1.857 -13.992 11.825 1.00 33.42 H new ATOM 0 HA ASN A 101 1.813 -16.581 10.463 1.00 11.32 H new ATOM 0 HB2 ASN A 101 2.196 -15.291 8.472 1.00 13.04 H new ATOM 0 HB3 ASN A 101 0.973 -14.447 9.402 1.00 13.04 H new ATOM 0 HD21 ASN A 101 4.330 -12.529 8.302 1.00 23.44 H new ATOM 0 HD22 ASN A 101 3.779 -14.074 7.647 1.00 23.44 H new TER 1415 ASN A 101