USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1103 hydrogens (55 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 108 GLN : amide:sc= -0.0858 K(o=-0.086,f=-1.2) USER MOD Set 1.2: A 112 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 2.1: A 110 LYS NZ :NH3+ 180:sc= -0.16 (180deg=-0.16) USER MOD Set 2.2: A 114 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 3.1: A 86 TYR OH : rot -143:sc= 0.0694 USER MOD Set 3.2: A 90 GLN : amide:sc= 0.238 K(o=0.31,f=-1) USER MOD Set 4.1: A 65 GLN : amide:sc= 0 K(o=-0.86,f=-1.4) USER MOD Set 4.2: A 79 TYR OH : rot 180:sc= -0.859 USER MOD Set 5.1: A 29 TYR OH : rot 30:sc= 0.843 USER MOD Set 5.2: A 97 THR OG1 : rot -124:sc= 0.461 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.188 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.448 (180deg=-0.796) USER MOD Single : A 28 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.71) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-7.6!) USER MOD Single : A 38 SER OG : rot -73:sc= 0.00431 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.659 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -174:sc= -0.75 USER MOD Single : A 59 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 63 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0493 X(o=-0.049,f=-0.049) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 116:sc= 0.645 USER MOD Single : A 77 SER OG : rot -139:sc= 0.941 USER MOD Single : A 80 ASN : amide:sc= -4.08! C(o=-4.1!,f=-5.2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 87 CYS SG : rot 72:sc= -0.0473 USER MOD Single : A 89 HIS : no HD1:sc= 0.402 K(o=1.1,f=-4!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -179:sc= -0.278 (180deg=-0.28) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 117 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.4!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= 0.83 K(o=0.83,f=-5.2!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.6!) USER MOD Single : A 131 ASN : amide:sc= -0.461 X(o=-0.46,f=0.011) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 PBU O2 : rot -152:sc= 0.0603 USER MOD Single : A 300 PBU O3 : rot 180:sc= 0.0698 USER MOD Single : A 300 PBU O6 : rot -155:sc= 0.783 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 5.564 3.224 -16.066 1.00 70.44 N ATOM 2 CA GLY A 2 4.943 1.913 -16.039 1.00 61.53 C ATOM 3 C GLY A 2 4.553 1.485 -14.638 1.00 63.54 C ATOM 4 O GLY A 2 3.616 2.026 -14.054 1.00 14.25 O ATOM 0 HA2 GLY A 2 4.056 1.921 -16.673 1.00 61.53 H new ATOM 0 HA3 GLY A 2 5.630 1.180 -16.461 1.00 61.53 H new ATOM 8 N ALA A 3 5.275 0.508 -14.098 1.00 54.51 N ATOM 9 CA ALA A 3 5.000 0.008 -12.757 1.00 44.13 C ATOM 10 C ALA A 3 6.293 -0.273 -11.999 1.00 22.01 C ATOM 11 O ALA A 3 7.354 -0.435 -12.602 1.00 24.24 O ATOM 12 CB ALA A 3 4.144 -1.249 -12.827 1.00 23.23 C ATOM 0 H ALA A 3 6.054 0.048 -14.569 1.00 54.51 H new ATOM 0 HA ALA A 3 4.452 0.779 -12.215 1.00 44.13 H new ATOM 0 HB1 ALA A 3 3.947 -1.611 -11.818 1.00 23.23 H new ATOM 0 HB2 ALA A 3 3.200 -1.019 -13.321 1.00 23.23 H new ATOM 0 HB3 ALA A 3 4.672 -2.018 -13.392 1.00 23.23 H new ATOM 18 N ARG A 4 6.198 -0.328 -10.675 1.00 5.01 N ATOM 19 CA ARG A 4 7.362 -0.587 -9.836 1.00 44.32 C ATOM 20 C ARG A 4 7.649 -2.084 -9.751 1.00 12.21 C ATOM 21 O ARG A 4 8.739 -2.537 -10.097 1.00 72.43 O ATOM 22 CB ARG A 4 7.141 -0.019 -8.432 1.00 63.42 C ATOM 23 CG ARG A 4 6.870 1.476 -8.416 1.00 31.25 C ATOM 24 CD ARG A 4 7.990 2.238 -7.726 1.00 15.44 C ATOM 25 NE ARG A 4 9.279 2.031 -8.381 1.00 2.44 N ATOM 26 CZ ARG A 4 10.381 2.700 -8.063 1.00 41.53 C ATOM 27 NH1 ARG A 4 10.352 3.612 -7.101 1.00 21.13 N ATOM 28 NH2 ARG A 4 11.516 2.455 -8.705 1.00 50.11 N ATOM 0 H ARG A 4 5.327 -0.197 -10.160 1.00 5.01 H new ATOM 0 HA ARG A 4 8.222 -0.095 -10.289 1.00 44.32 H new ATOM 0 HB2 ARG A 4 6.302 -0.537 -7.968 1.00 63.42 H new ATOM 0 HB3 ARG A 4 8.020 -0.227 -7.823 1.00 63.42 H new ATOM 0 HG2 ARG A 4 6.759 1.838 -9.438 1.00 31.25 H new ATOM 0 HG3 ARG A 4 5.927 1.670 -7.905 1.00 31.25 H new ATOM 0 HD2 ARG A 4 7.754 3.302 -7.719 1.00 15.44 H new ATOM 0 HD3 ARG A 4 8.057 1.920 -6.686 1.00 15.44 H new ATOM 0 HE ARG A 4 9.336 1.334 -9.124 1.00 2.44 H new ATOM 0 HH11 ARG A 4 9.482 3.801 -6.603 1.00 21.13 H new ATOM 0 HH12 ARG A 4 11.200 4.125 -6.858 1.00 21.13 H new ATOM 0 HH21 ARG A 4 11.543 1.752 -9.444 1.00 50.11 H new ATOM 0 HH22 ARG A 4 12.362 2.970 -8.460 1.00 50.11 H new ATOM 42 N ALA A 5 6.663 -2.845 -9.288 1.00 2.03 N ATOM 43 CA ALA A 5 6.809 -4.290 -9.159 1.00 20.44 C ATOM 44 C ALA A 5 7.258 -4.916 -10.475 1.00 32.35 C ATOM 45 O ALA A 5 8.404 -5.346 -10.610 1.00 3.33 O ATOM 46 CB ALA A 5 5.501 -4.913 -8.696 1.00 72.14 C ATOM 0 H ALA A 5 5.754 -2.485 -8.996 1.00 2.03 H new ATOM 0 HA ALA A 5 7.578 -4.487 -8.412 1.00 20.44 H new ATOM 0 HB1 ALA A 5 5.624 -5.992 -8.604 1.00 72.14 H new ATOM 0 HB2 ALA A 5 5.222 -4.496 -7.728 1.00 72.14 H new ATOM 0 HB3 ALA A 5 4.718 -4.698 -9.423 1.00 72.14 H new ATOM 52 N SER A 6 6.349 -4.962 -11.444 1.00 70.32 N ATOM 53 CA SER A 6 6.650 -5.540 -12.748 1.00 70.12 C ATOM 54 C SER A 6 5.599 -5.136 -13.778 1.00 33.01 C ATOM 55 O SER A 6 5.921 -4.559 -14.817 1.00 73.21 O ATOM 56 CB SER A 6 6.724 -7.064 -12.649 1.00 24.22 C ATOM 57 OG SER A 6 5.881 -7.550 -11.619 1.00 3.30 O ATOM 0 H SER A 6 5.398 -4.606 -11.350 1.00 70.32 H new ATOM 0 HA SER A 6 7.617 -5.157 -13.073 1.00 70.12 H new ATOM 0 HB2 SER A 6 6.433 -7.508 -13.601 1.00 24.22 H new ATOM 0 HB3 SER A 6 7.752 -7.369 -12.456 1.00 24.22 H new ATOM 0 HG SER A 6 5.945 -8.527 -11.577 1.00 3.30 H new ATOM 63 N VAL A 7 4.341 -5.442 -13.481 1.00 40.21 N ATOM 64 CA VAL A 7 3.241 -5.111 -14.378 1.00 10.10 C ATOM 65 C VAL A 7 2.246 -4.171 -13.705 1.00 25.03 C ATOM 66 O VAL A 7 2.052 -3.037 -14.144 1.00 71.12 O ATOM 67 CB VAL A 7 2.498 -6.376 -14.848 1.00 64.41 C ATOM 68 CG1 VAL A 7 1.354 -6.009 -15.780 1.00 34.30 C ATOM 69 CG2 VAL A 7 3.462 -7.337 -15.527 1.00 41.21 C ATOM 0 H VAL A 7 4.058 -5.919 -12.625 1.00 40.21 H new ATOM 0 HA VAL A 7 3.679 -4.613 -15.244 1.00 10.10 H new ATOM 0 HB VAL A 7 2.077 -6.875 -13.975 1.00 64.41 H new ATOM 0 HG11 VAL A 7 0.841 -6.916 -16.101 1.00 34.30 H new ATOM 0 HG12 VAL A 7 0.651 -5.361 -15.256 1.00 34.30 H new ATOM 0 HG13 VAL A 7 1.748 -5.487 -16.652 1.00 34.30 H new ATOM 0 HG21 VAL A 7 2.921 -8.225 -15.853 1.00 41.21 H new ATOM 0 HG22 VAL A 7 3.913 -6.850 -16.391 1.00 41.21 H new ATOM 0 HG23 VAL A 7 4.243 -7.626 -14.824 1.00 41.21 H new ATOM 79 N LEU A 8 1.618 -4.651 -12.638 1.00 54.32 N ATOM 80 CA LEU A 8 0.641 -3.854 -11.902 1.00 70.42 C ATOM 81 C LEU A 8 1.282 -3.201 -10.682 1.00 41.53 C ATOM 82 O LEU A 8 1.914 -3.872 -9.866 1.00 52.13 O ATOM 83 CB LEU A 8 -0.537 -4.728 -11.468 1.00 74.31 C ATOM 84 CG LEU A 8 -1.431 -5.255 -12.591 1.00 13.30 C ATOM 85 CD1 LEU A 8 -2.372 -6.326 -12.065 1.00 42.44 C ATOM 86 CD2 LEU A 8 -2.216 -4.117 -13.226 1.00 54.30 C ATOM 0 H LEU A 8 1.767 -5.588 -12.262 1.00 54.32 H new ATOM 0 HA LEU A 8 0.277 -3.068 -12.563 1.00 70.42 H new ATOM 0 HB2 LEU A 8 -0.146 -5.580 -10.912 1.00 74.31 H new ATOM 0 HB3 LEU A 8 -1.155 -4.153 -10.778 1.00 74.31 H new ATOM 0 HG LEU A 8 -0.796 -5.702 -13.356 1.00 13.30 H new ATOM 0 HD11 LEU A 8 -3.001 -6.689 -12.878 1.00 42.44 H new ATOM 0 HD12 LEU A 8 -1.791 -7.153 -11.658 1.00 42.44 H new ATOM 0 HD13 LEU A 8 -3.001 -5.905 -11.281 1.00 42.44 H new ATOM 0 HD21 LEU A 8 -2.847 -4.510 -14.023 1.00 54.30 H new ATOM 0 HD22 LEU A 8 -2.841 -3.640 -12.471 1.00 54.30 H new ATOM 0 HD23 LEU A 8 -1.524 -3.384 -13.640 1.00 54.30 H new ATOM 98 N SER A 9 1.112 -1.887 -10.562 1.00 44.43 N ATOM 99 CA SER A 9 1.674 -1.143 -9.442 1.00 54.44 C ATOM 100 C SER A 9 0.947 -1.483 -8.143 1.00 23.52 C ATOM 101 O SER A 9 0.105 -2.380 -8.107 1.00 73.20 O ATOM 102 CB SER A 9 1.589 0.361 -9.708 1.00 41.33 C ATOM 103 OG SER A 9 0.393 0.905 -9.177 1.00 34.01 O ATOM 0 H SER A 9 0.589 -1.317 -11.227 1.00 44.43 H new ATOM 0 HA SER A 9 2.721 -1.428 -9.337 1.00 54.44 H new ATOM 0 HB2 SER A 9 2.449 0.862 -9.263 1.00 41.33 H new ATOM 0 HB3 SER A 9 1.632 0.547 -10.781 1.00 41.33 H new ATOM 0 HG SER A 9 0.363 1.868 -9.358 1.00 34.01 H new ATOM 109 N GLY A 10 1.281 -0.761 -7.079 1.00 34.54 N ATOM 110 CA GLY A 10 0.653 -1.000 -5.794 1.00 53.52 C ATOM 111 C GLY A 10 -0.856 -0.856 -5.849 1.00 42.23 C ATOM 112 O GLY A 10 -1.587 -1.736 -5.397 1.00 31.32 O ATOM 0 H GLY A 10 1.976 -0.014 -7.084 1.00 34.54 H new ATOM 0 HA2 GLY A 10 0.907 -2.003 -5.450 1.00 53.52 H new ATOM 0 HA3 GLY A 10 1.055 -0.300 -5.061 1.00 53.52 H new ATOM 116 N GLY A 11 -1.322 0.258 -6.405 1.00 5.21 N ATOM 117 CA GLY A 11 -2.751 0.495 -6.507 1.00 42.23 C ATOM 118 C GLY A 11 -3.434 -0.478 -7.447 1.00 22.14 C ATOM 119 O GLY A 11 -4.530 -0.958 -7.165 1.00 11.40 O ATOM 0 H GLY A 11 -0.736 1.001 -6.787 1.00 5.21 H new ATOM 0 HA2 GLY A 11 -3.201 0.416 -5.517 1.00 42.23 H new ATOM 0 HA3 GLY A 11 -2.923 1.513 -6.855 1.00 42.23 H new ATOM 123 N GLU A 12 -2.784 -0.767 -8.571 1.00 42.02 N ATOM 124 CA GLU A 12 -3.338 -1.687 -9.558 1.00 3.43 C ATOM 125 C GLU A 12 -3.387 -3.110 -9.009 1.00 32.10 C ATOM 126 O GLU A 12 -4.269 -3.895 -9.362 1.00 15.01 O ATOM 127 CB GLU A 12 -2.507 -1.653 -10.843 1.00 12.54 C ATOM 128 CG GLU A 12 -2.159 -0.248 -11.304 1.00 60.13 C ATOM 129 CD GLU A 12 -1.510 -0.229 -12.675 1.00 12.42 C ATOM 130 OE1 GLU A 12 -0.322 -0.599 -12.774 1.00 41.12 O ATOM 131 OE2 GLU A 12 -2.192 0.157 -13.649 1.00 41.13 O ATOM 0 H GLU A 12 -1.875 -0.378 -8.820 1.00 42.02 H new ATOM 0 HA GLU A 12 -4.356 -1.368 -9.783 1.00 3.43 H new ATOM 0 HB2 GLU A 12 -1.586 -2.213 -10.685 1.00 12.54 H new ATOM 0 HB3 GLU A 12 -3.057 -2.161 -11.635 1.00 12.54 H new ATOM 0 HG2 GLU A 12 -3.065 0.358 -11.326 1.00 60.13 H new ATOM 0 HG3 GLU A 12 -1.485 0.212 -10.581 1.00 60.13 H new ATOM 138 N LEU A 13 -2.434 -3.436 -8.143 1.00 64.11 N ATOM 139 CA LEU A 13 -2.366 -4.765 -7.544 1.00 61.01 C ATOM 140 C LEU A 13 -3.591 -5.033 -6.675 1.00 72.03 C ATOM 141 O LEU A 13 -4.273 -6.044 -6.842 1.00 44.33 O ATOM 142 CB LEU A 13 -1.092 -4.905 -6.708 1.00 11.44 C ATOM 143 CG LEU A 13 -0.709 -6.329 -6.304 1.00 72.34 C ATOM 144 CD1 LEU A 13 -0.463 -7.185 -7.537 1.00 53.52 C ATOM 145 CD2 LEU A 13 0.522 -6.315 -5.408 1.00 13.21 C ATOM 0 H LEU A 13 -1.698 -2.799 -7.840 1.00 64.11 H new ATOM 0 HA LEU A 13 -2.347 -5.499 -8.349 1.00 61.01 H new ATOM 0 HB2 LEU A 13 -0.264 -4.472 -7.269 1.00 11.44 H new ATOM 0 HB3 LEU A 13 -1.208 -4.310 -5.802 1.00 11.44 H new ATOM 0 HG LEU A 13 -1.537 -6.764 -5.744 1.00 72.34 H new ATOM 0 HD11 LEU A 13 -0.191 -8.195 -7.230 1.00 53.52 H new ATOM 0 HD12 LEU A 13 -1.369 -7.221 -8.142 1.00 53.52 H new ATOM 0 HD13 LEU A 13 0.348 -6.754 -8.124 1.00 53.52 H new ATOM 0 HD21 LEU A 13 0.781 -7.337 -5.130 1.00 13.21 H new ATOM 0 HD22 LEU A 13 1.357 -5.862 -5.943 1.00 13.21 H new ATOM 0 HD23 LEU A 13 0.311 -5.736 -4.509 1.00 13.21 H new ATOM 157 N ASP A 14 -3.863 -4.121 -5.749 1.00 14.44 N ATOM 158 CA ASP A 14 -5.009 -4.257 -4.856 1.00 61.44 C ATOM 159 C ASP A 14 -6.288 -4.509 -5.647 1.00 41.32 C ATOM 160 O ASP A 14 -7.079 -5.390 -5.306 1.00 75.44 O ATOM 161 CB ASP A 14 -5.164 -3.001 -3.997 1.00 41.43 C ATOM 162 CG ASP A 14 -6.428 -3.026 -3.159 1.00 73.21 C ATOM 163 OD1 ASP A 14 -6.420 -3.678 -2.094 1.00 4.22 O ATOM 164 OD2 ASP A 14 -7.424 -2.393 -3.568 1.00 64.14 O ATOM 0 H ASP A 14 -3.307 -3.280 -5.596 1.00 14.44 H new ATOM 0 HA ASP A 14 -4.832 -5.113 -4.205 1.00 61.44 H new ATOM 0 HB2 ASP A 14 -4.299 -2.903 -3.341 1.00 41.43 H new ATOM 0 HB3 ASP A 14 -5.176 -2.122 -4.642 1.00 41.43 H new ATOM 169 N LYS A 15 -6.487 -3.729 -6.704 1.00 40.43 N ATOM 170 CA LYS A 15 -7.671 -3.867 -7.545 1.00 44.25 C ATOM 171 C LYS A 15 -7.644 -5.187 -8.309 1.00 33.25 C ATOM 172 O LYS A 15 -8.662 -5.870 -8.422 1.00 31.34 O ATOM 173 CB LYS A 15 -7.762 -2.697 -8.526 1.00 25.43 C ATOM 174 CG LYS A 15 -9.006 -1.846 -8.344 1.00 72.11 C ATOM 175 CD LYS A 15 -8.935 -1.023 -7.068 1.00 2.53 C ATOM 176 CE LYS A 15 -8.003 0.169 -7.225 1.00 12.30 C ATOM 177 NZ LYS A 15 -8.636 1.433 -6.759 1.00 72.00 N ATOM 0 H LYS A 15 -5.844 -2.994 -6.999 1.00 40.43 H new ATOM 0 HA LYS A 15 -8.549 -3.860 -6.900 1.00 44.25 H new ATOM 0 HB2 LYS A 15 -6.881 -2.067 -8.409 1.00 25.43 H new ATOM 0 HB3 LYS A 15 -7.744 -3.085 -9.544 1.00 25.43 H new ATOM 0 HG2 LYS A 15 -9.123 -1.182 -9.201 1.00 72.11 H new ATOM 0 HG3 LYS A 15 -9.887 -2.488 -8.316 1.00 72.11 H new ATOM 0 HD2 LYS A 15 -9.933 -0.674 -6.803 1.00 2.53 H new ATOM 0 HD3 LYS A 15 -8.589 -1.651 -6.247 1.00 2.53 H new ATOM 0 HE2 LYS A 15 -7.088 -0.009 -6.660 1.00 12.30 H new ATOM 0 HE3 LYS A 15 -7.717 0.271 -8.272 1.00 12.30 H new ATOM 0 HZ1 LYS A 15 -7.969 2.221 -6.883 1.00 72.00 H new ATOM 0 HZ2 LYS A 15 -9.496 1.616 -7.315 1.00 72.00 H new ATOM 0 HZ3 LYS A 15 -8.886 1.346 -5.753 1.00 72.00 H new ATOM 191 N TRP A 16 -6.475 -5.539 -8.832 1.00 60.21 N ATOM 192 CA TRP A 16 -6.316 -6.777 -9.586 1.00 40.43 C ATOM 193 C TRP A 16 -6.809 -7.973 -8.777 1.00 34.20 C ATOM 194 O TRP A 16 -7.633 -8.756 -9.249 1.00 32.14 O ATOM 195 CB TRP A 16 -4.851 -6.978 -9.974 1.00 24.22 C ATOM 196 CG TRP A 16 -4.590 -8.291 -10.649 1.00 75.41 C ATOM 197 CD1 TRP A 16 -4.101 -9.428 -10.070 1.00 34.23 C ATOM 198 CD2 TRP A 16 -4.801 -8.601 -12.031 1.00 10.24 C ATOM 199 NE1 TRP A 16 -3.996 -10.425 -11.009 1.00 52.01 N ATOM 200 CE2 TRP A 16 -4.421 -9.944 -12.219 1.00 40.11 C ATOM 201 CE3 TRP A 16 -5.277 -7.875 -13.127 1.00 53.54 C ATOM 202 CZ2 TRP A 16 -4.501 -10.574 -13.459 1.00 35.45 C ATOM 203 CZ3 TRP A 16 -5.357 -8.501 -14.355 1.00 22.51 C ATOM 204 CH2 TRP A 16 -4.970 -9.839 -14.515 1.00 41.54 C ATOM 0 H TRP A 16 -5.623 -4.984 -8.748 1.00 60.21 H new ATOM 0 HA TRP A 16 -6.917 -6.701 -10.492 1.00 40.43 H new ATOM 0 HB2 TRP A 16 -4.544 -6.169 -10.637 1.00 24.22 H new ATOM 0 HB3 TRP A 16 -4.233 -6.908 -9.079 1.00 24.22 H new ATOM 0 HD1 TRP A 16 -3.836 -9.528 -9.028 1.00 34.23 H new ATOM 0 HE1 TRP A 16 -3.656 -11.371 -10.834 1.00 52.01 H new ATOM 0 HE3 TRP A 16 -5.577 -6.843 -13.015 1.00 53.54 H new ATOM 0 HZ2 TRP A 16 -4.204 -11.605 -13.583 1.00 35.45 H new ATOM 0 HZ3 TRP A 16 -5.724 -7.950 -15.208 1.00 22.51 H new ATOM 0 HH2 TRP A 16 -5.043 -10.299 -15.490 1.00 41.54 H new ATOM 215 N GLU A 17 -6.299 -8.107 -7.557 1.00 53.15 N ATOM 216 CA GLU A 17 -6.689 -9.209 -6.684 1.00 64.22 C ATOM 217 C GLU A 17 -8.192 -9.194 -6.427 1.00 15.20 C ATOM 218 O GLU A 17 -8.794 -10.227 -6.136 1.00 44.42 O ATOM 219 CB GLU A 17 -5.932 -9.129 -5.357 1.00 53.24 C ATOM 220 CG GLU A 17 -4.451 -9.448 -5.479 1.00 35.21 C ATOM 221 CD GLU A 17 -3.776 -9.613 -4.132 1.00 51.53 C ATOM 222 OE1 GLU A 17 -4.197 -10.504 -3.364 1.00 53.14 O ATOM 223 OE2 GLU A 17 -2.828 -8.853 -3.845 1.00 13.54 O ATOM 0 H GLU A 17 -5.616 -7.468 -7.151 1.00 53.15 H new ATOM 0 HA GLU A 17 -6.434 -10.143 -7.184 1.00 64.22 H new ATOM 0 HB2 GLU A 17 -6.046 -8.127 -4.944 1.00 53.24 H new ATOM 0 HB3 GLU A 17 -6.386 -9.820 -4.647 1.00 53.24 H new ATOM 0 HG2 GLU A 17 -4.327 -10.363 -6.058 1.00 35.21 H new ATOM 0 HG3 GLU A 17 -3.956 -8.651 -6.034 1.00 35.21 H new ATOM 230 N LYS A 18 -8.793 -8.013 -6.536 1.00 42.43 N ATOM 231 CA LYS A 18 -10.227 -7.862 -6.315 1.00 34.45 C ATOM 232 C LYS A 18 -11.019 -8.375 -7.513 1.00 21.54 C ATOM 233 O LYS A 18 -11.954 -9.161 -7.360 1.00 24.51 O ATOM 234 CB LYS A 18 -10.570 -6.394 -6.055 1.00 15.01 C ATOM 235 CG LYS A 18 -11.802 -6.202 -5.187 1.00 0.41 C ATOM 236 CD LYS A 18 -12.819 -5.291 -5.855 1.00 14.10 C ATOM 237 CE LYS A 18 -14.244 -5.712 -5.528 1.00 20.31 C ATOM 238 NZ LYS A 18 -15.134 -4.537 -5.318 1.00 52.25 N ATOM 0 H LYS A 18 -8.310 -7.147 -6.776 1.00 42.43 H new ATOM 0 HA LYS A 18 -10.500 -8.454 -5.441 1.00 34.45 H new ATOM 0 HB2 LYS A 18 -9.719 -5.910 -5.576 1.00 15.01 H new ATOM 0 HB3 LYS A 18 -10.726 -5.891 -7.010 1.00 15.01 H new ATOM 0 HG2 LYS A 18 -12.259 -7.170 -4.983 1.00 0.41 H new ATOM 0 HG3 LYS A 18 -11.509 -5.779 -4.226 1.00 0.41 H new ATOM 0 HD2 LYS A 18 -12.658 -4.263 -5.529 1.00 14.10 H new ATOM 0 HD3 LYS A 18 -12.672 -5.309 -6.935 1.00 14.10 H new ATOM 0 HE2 LYS A 18 -14.637 -6.325 -6.339 1.00 20.31 H new ATOM 0 HE3 LYS A 18 -14.243 -6.332 -4.631 1.00 20.31 H new ATOM 0 HZ1 LYS A 18 -16.096 -4.865 -5.097 1.00 52.25 H new ATOM 0 HZ2 LYS A 18 -14.773 -3.965 -4.528 1.00 52.25 H new ATOM 0 HZ3 LYS A 18 -15.155 -3.959 -6.182 1.00 52.25 H new ATOM 252 N ILE A 19 -10.636 -7.927 -8.706 1.00 42.14 N ATOM 253 CA ILE A 19 -11.309 -8.345 -9.930 1.00 55.10 C ATOM 254 C ILE A 19 -11.405 -9.865 -10.013 1.00 14.34 C ATOM 255 O ILE A 19 -10.465 -10.576 -9.661 1.00 71.33 O ATOM 256 CB ILE A 19 -10.581 -7.818 -11.180 1.00 54.01 C ATOM 257 CG1 ILE A 19 -10.491 -6.291 -11.138 1.00 24.32 C ATOM 258 CG2 ILE A 19 -11.295 -8.279 -12.442 1.00 14.23 C ATOM 259 CD1 ILE A 19 -9.118 -5.757 -11.483 1.00 13.42 C ATOM 0 H ILE A 19 -9.864 -7.276 -8.850 1.00 42.14 H new ATOM 0 HA ILE A 19 -12.313 -7.922 -9.899 1.00 55.10 H new ATOM 0 HB ILE A 19 -9.569 -8.222 -11.191 1.00 54.01 H new ATOM 0 HG12 ILE A 19 -11.220 -5.873 -11.833 1.00 24.32 H new ATOM 0 HG13 ILE A 19 -10.766 -5.946 -10.141 1.00 24.32 H new ATOM 0 HG21 ILE A 19 -10.769 -7.899 -13.317 1.00 14.23 H new ATOM 0 HG22 ILE A 19 -11.311 -9.368 -12.473 1.00 14.23 H new ATOM 0 HG23 ILE A 19 -12.317 -7.901 -12.441 1.00 14.23 H new ATOM 0 HD11 ILE A 19 -9.128 -4.668 -11.433 1.00 13.42 H new ATOM 0 HD12 ILE A 19 -8.388 -6.146 -10.774 1.00 13.42 H new ATOM 0 HD13 ILE A 19 -8.848 -6.072 -12.491 1.00 13.42 H new ATOM 271 N ARG A 20 -12.548 -10.354 -10.484 1.00 62.15 N ATOM 272 CA ARG A 20 -12.767 -11.789 -10.615 1.00 4.20 C ATOM 273 C ARG A 20 -12.776 -12.206 -12.083 1.00 2.11 C ATOM 274 O ARG A 20 -13.188 -11.439 -12.955 1.00 73.20 O ATOM 275 CB ARG A 20 -14.086 -12.188 -9.952 1.00 2.10 C ATOM 276 CG ARG A 20 -14.231 -11.678 -8.528 1.00 11.40 C ATOM 277 CD ARG A 20 -15.321 -12.425 -7.776 1.00 53.21 C ATOM 278 NE ARG A 20 -16.294 -11.516 -7.176 1.00 2.43 N ATOM 279 CZ ARG A 20 -17.442 -11.917 -6.642 1.00 14.24 C ATOM 280 NH1 ARG A 20 -17.759 -13.204 -6.632 1.00 32.02 N ATOM 281 NH2 ARG A 20 -18.276 -11.029 -6.115 1.00 2.23 N ATOM 0 H ARG A 20 -13.336 -9.778 -10.781 1.00 62.15 H new ATOM 0 HA ARG A 20 -11.947 -12.303 -10.114 1.00 4.20 H new ATOM 0 HB2 ARG A 20 -14.913 -11.808 -10.551 1.00 2.10 H new ATOM 0 HB3 ARG A 20 -14.167 -13.275 -9.950 1.00 2.10 H new ATOM 0 HG2 ARG A 20 -13.283 -11.790 -8.002 1.00 11.40 H new ATOM 0 HG3 ARG A 20 -14.463 -10.613 -8.544 1.00 11.40 H new ATOM 0 HD2 ARG A 20 -15.832 -13.104 -8.459 1.00 53.21 H new ATOM 0 HD3 ARG A 20 -14.869 -13.038 -6.996 1.00 53.21 H new ATOM 0 HE ARG A 20 -16.080 -10.519 -7.167 1.00 2.43 H new ATOM 0 HH11 ARG A 20 -17.120 -13.890 -7.035 1.00 32.02 H new ATOM 0 HH12 ARG A 20 -18.641 -13.509 -6.221 1.00 32.02 H new ATOM 0 HH21 ARG A 20 -18.035 -10.038 -6.120 1.00 2.23 H new ATOM 0 HH22 ARG A 20 -19.157 -11.338 -5.705 1.00 2.23 H new ATOM 295 N LEU A 21 -12.321 -13.425 -12.349 1.00 3.24 N ATOM 296 CA LEU A 21 -12.277 -13.944 -13.713 1.00 44.24 C ATOM 297 C LEU A 21 -13.674 -13.988 -14.324 1.00 23.42 C ATOM 298 O LEU A 21 -13.856 -13.675 -15.500 1.00 22.14 O ATOM 299 CB LEU A 21 -11.657 -15.343 -13.727 1.00 51.41 C ATOM 300 CG LEU A 21 -10.326 -15.494 -12.990 1.00 44.11 C ATOM 301 CD1 LEU A 21 -10.195 -16.893 -12.407 1.00 62.51 C ATOM 302 CD2 LEU A 21 -9.163 -15.192 -13.923 1.00 52.11 C ATOM 0 H LEU A 21 -11.977 -14.073 -11.640 1.00 3.24 H new ATOM 0 HA LEU A 21 -11.660 -13.274 -14.311 1.00 44.24 H new ATOM 0 HB2 LEU A 21 -12.372 -16.040 -13.291 1.00 51.41 H new ATOM 0 HB3 LEU A 21 -11.511 -15.644 -14.764 1.00 51.41 H new ATOM 0 HG LEU A 21 -10.303 -14.777 -12.169 1.00 44.11 H new ATOM 0 HD11 LEU A 21 -9.242 -16.982 -11.886 1.00 62.51 H new ATOM 0 HD12 LEU A 21 -11.010 -17.073 -11.706 1.00 62.51 H new ATOM 0 HD13 LEU A 21 -10.239 -17.628 -13.211 1.00 62.51 H new ATOM 0 HD21 LEU A 21 -8.224 -15.304 -13.382 1.00 52.11 H new ATOM 0 HD22 LEU A 21 -9.182 -15.885 -14.764 1.00 52.11 H new ATOM 0 HD23 LEU A 21 -9.249 -14.170 -14.292 1.00 52.11 H new ATOM 314 N ARG A 22 -14.655 -14.376 -13.517 1.00 24.23 N ATOM 315 CA ARG A 22 -16.035 -14.459 -13.979 1.00 3.31 C ATOM 316 C ARG A 22 -16.945 -13.568 -13.138 1.00 72.13 C ATOM 317 O ARG A 22 -16.616 -13.186 -12.015 1.00 71.11 O ATOM 318 CB ARG A 22 -16.528 -15.907 -13.922 1.00 51.20 C ATOM 319 CG ARG A 22 -16.543 -16.599 -15.275 1.00 71.42 C ATOM 320 CD ARG A 22 -17.736 -17.532 -15.411 1.00 73.34 C ATOM 321 NE ARG A 22 -17.655 -18.350 -16.619 1.00 52.35 N ATOM 322 CZ ARG A 22 -17.927 -17.893 -17.835 1.00 31.50 C ATOM 323 NH1 ARG A 22 -18.293 -16.630 -18.006 1.00 3.10 N ATOM 324 NH2 ARG A 22 -17.830 -18.699 -18.885 1.00 10.41 N ATOM 0 H ARG A 22 -14.520 -14.638 -12.540 1.00 24.23 H new ATOM 0 HA ARG A 22 -16.067 -14.111 -15.011 1.00 3.31 H new ATOM 0 HB2 ARG A 22 -15.891 -16.472 -13.241 1.00 51.20 H new ATOM 0 HB3 ARG A 22 -17.535 -15.923 -13.504 1.00 51.20 H new ATOM 0 HG2 ARG A 22 -16.573 -15.851 -16.067 1.00 71.42 H new ATOM 0 HG3 ARG A 22 -15.621 -17.165 -15.406 1.00 71.42 H new ATOM 0 HD2 ARG A 22 -17.791 -18.181 -14.537 1.00 73.34 H new ATOM 0 HD3 ARG A 22 -18.655 -16.946 -15.431 1.00 73.34 H new ATOM 0 HE ARG A 22 -17.374 -19.326 -16.522 1.00 52.35 H new ATOM 0 HH11 ARG A 22 -18.366 -16.007 -17.202 1.00 3.10 H new ATOM 0 HH12 ARG A 22 -18.501 -16.282 -18.942 1.00 3.10 H new ATOM 0 HH21 ARG A 22 -17.546 -19.670 -18.758 1.00 10.41 H new ATOM 0 HH22 ARG A 22 -18.039 -18.347 -19.819 1.00 10.41 H new ATOM 338 N PRO A 23 -18.117 -13.226 -13.693 1.00 21.12 N ATOM 339 CA PRO A 23 -19.098 -12.376 -13.013 1.00 1.50 C ATOM 340 C PRO A 23 -19.753 -13.080 -11.828 1.00 73.22 C ATOM 341 O PRO A 23 -20.091 -12.448 -10.828 1.00 43.34 O ATOM 342 CB PRO A 23 -20.134 -12.087 -14.102 1.00 34.21 C ATOM 343 CG PRO A 23 -20.022 -13.235 -15.044 1.00 10.23 C ATOM 344 CD PRO A 23 -18.576 -13.644 -15.029 1.00 43.43 C ATOM 0 HA PRO A 23 -18.639 -11.480 -12.594 1.00 1.50 H new ATOM 0 HB2 PRO A 23 -21.138 -12.014 -13.684 1.00 34.21 H new ATOM 0 HB3 PRO A 23 -19.928 -11.141 -14.604 1.00 34.21 H new ATOM 0 HG2 PRO A 23 -20.664 -14.059 -14.733 1.00 10.23 H new ATOM 0 HG3 PRO A 23 -20.336 -12.948 -16.048 1.00 10.23 H new ATOM 0 HD2 PRO A 23 -18.461 -14.718 -15.176 1.00 43.43 H new ATOM 0 HD3 PRO A 23 -18.011 -13.152 -15.820 1.00 43.43 H new ATOM 352 N GLY A 24 -19.927 -14.392 -11.949 1.00 40.51 N ATOM 353 CA GLY A 24 -20.540 -15.159 -10.880 1.00 43.30 C ATOM 354 C GLY A 24 -19.718 -16.373 -10.493 1.00 71.20 C ATOM 355 O GLY A 24 -20.144 -17.509 -10.693 1.00 42.43 O ATOM 0 H GLY A 24 -19.655 -14.937 -12.767 1.00 40.51 H new ATOM 0 HA2 GLY A 24 -20.671 -14.519 -10.007 1.00 43.30 H new ATOM 0 HA3 GLY A 24 -21.534 -15.481 -11.192 1.00 43.30 H new ATOM 359 N GLY A 25 -18.534 -16.132 -9.937 1.00 12.23 N ATOM 360 CA GLY A 25 -17.669 -17.223 -9.532 1.00 61.53 C ATOM 361 C GLY A 25 -17.114 -17.035 -8.134 1.00 52.42 C ATOM 362 O GLY A 25 -17.560 -16.158 -7.393 1.00 52.22 O ATOM 0 H GLY A 25 -18.159 -15.200 -9.760 1.00 12.23 H new ATOM 0 HA2 GLY A 25 -18.226 -18.159 -9.576 1.00 61.53 H new ATOM 0 HA3 GLY A 25 -16.844 -17.310 -10.239 1.00 61.53 H new ATOM 366 N LYS A 26 -16.138 -17.860 -7.770 1.00 51.43 N ATOM 367 CA LYS A 26 -15.521 -17.781 -6.451 1.00 2.24 C ATOM 368 C LYS A 26 -14.003 -17.878 -6.555 1.00 74.45 C ATOM 369 O LYS A 26 -13.350 -18.493 -5.711 1.00 45.42 O ATOM 370 CB LYS A 26 -16.053 -18.897 -5.549 1.00 1.42 C ATOM 371 CG LYS A 26 -15.962 -18.576 -4.067 1.00 11.13 C ATOM 372 CD LYS A 26 -17.272 -18.018 -3.535 1.00 65.21 C ATOM 373 CE LYS A 26 -17.050 -17.151 -2.306 1.00 44.51 C ATOM 374 NZ LYS A 26 -17.136 -17.941 -1.047 1.00 45.14 N ATOM 0 H LYS A 26 -15.757 -18.591 -8.370 1.00 51.43 H new ATOM 0 HA LYS A 26 -15.777 -16.816 -6.014 1.00 2.24 H new ATOM 0 HB2 LYS A 26 -17.093 -19.096 -5.806 1.00 1.42 H new ATOM 0 HB3 LYS A 26 -15.495 -19.812 -5.749 1.00 1.42 H new ATOM 0 HG2 LYS A 26 -15.698 -19.478 -3.514 1.00 11.13 H new ATOM 0 HG3 LYS A 26 -15.163 -17.854 -3.899 1.00 11.13 H new ATOM 0 HD2 LYS A 26 -17.761 -17.431 -4.312 1.00 65.21 H new ATOM 0 HD3 LYS A 26 -17.944 -18.839 -3.286 1.00 65.21 H new ATOM 0 HE2 LYS A 26 -16.072 -16.675 -2.370 1.00 44.51 H new ATOM 0 HE3 LYS A 26 -17.792 -16.353 -2.286 1.00 44.51 H new ATOM 0 HZ1 LYS A 26 -16.979 -17.314 -0.232 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 -18.078 -18.375 -0.973 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 -16.411 -18.687 -1.055 1.00 45.14 H new ATOM 388 N LYS A 27 -13.444 -17.266 -7.593 1.00 10.14 N ATOM 389 CA LYS A 27 -12.002 -17.279 -7.806 1.00 43.10 C ATOM 390 C LYS A 27 -11.521 -15.943 -8.362 1.00 70.12 C ATOM 391 O LYS A 27 -11.524 -15.727 -9.573 1.00 21.20 O ATOM 392 CB LYS A 27 -11.618 -18.410 -8.764 1.00 30.45 C ATOM 393 CG LYS A 27 -10.170 -18.850 -8.637 1.00 42.23 C ATOM 394 CD LYS A 27 -9.589 -19.253 -9.981 1.00 23.22 C ATOM 395 CE LYS A 27 -9.244 -20.734 -10.018 1.00 14.01 C ATOM 396 NZ LYS A 27 -8.101 -21.014 -10.930 1.00 5.12 N ATOM 0 H LYS A 27 -13.969 -16.754 -8.302 1.00 10.14 H new ATOM 0 HA LYS A 27 -11.519 -17.446 -6.843 1.00 43.10 H new ATOM 0 HB2 LYS A 27 -12.267 -19.266 -8.580 1.00 30.45 H new ATOM 0 HB3 LYS A 27 -11.802 -18.085 -9.788 1.00 30.45 H new ATOM 0 HG2 LYS A 27 -9.578 -18.039 -8.213 1.00 42.23 H new ATOM 0 HG3 LYS A 27 -10.103 -19.689 -7.945 1.00 42.23 H new ATOM 0 HD2 LYS A 27 -10.305 -19.025 -10.771 1.00 23.22 H new ATOM 0 HD3 LYS A 27 -8.694 -18.665 -10.183 1.00 23.22 H new ATOM 0 HE2 LYS A 27 -8.998 -21.075 -9.012 1.00 14.01 H new ATOM 0 HE3 LYS A 27 -10.116 -21.302 -10.343 1.00 14.01 H new ATOM 0 HZ1 LYS A 27 -8.077 -22.029 -11.155 1.00 5.12 H new ATOM 0 HZ2 LYS A 27 -8.215 -20.468 -11.808 1.00 5.12 H new ATOM 0 HZ3 LYS A 27 -7.211 -20.741 -10.466 1.00 5.12 H new ATOM 410 N GLN A 28 -11.106 -15.050 -7.468 1.00 45.40 N ATOM 411 CA GLN A 28 -10.622 -13.736 -7.870 1.00 11.05 C ATOM 412 C GLN A 28 -9.366 -13.857 -8.727 1.00 33.05 C ATOM 413 O GLN A 28 -8.904 -14.961 -9.015 1.00 3.02 O ATOM 414 CB GLN A 28 -10.332 -12.877 -6.638 1.00 31.42 C ATOM 415 CG GLN A 28 -11.432 -12.924 -5.590 1.00 32.03 C ATOM 416 CD GLN A 28 -11.038 -13.723 -4.365 1.00 43.41 C ATOM 417 OE1 GLN A 28 -9.914 -13.615 -3.874 1.00 71.05 O ATOM 418 NE2 GLN A 28 -11.963 -14.534 -3.864 1.00 13.22 N ATOM 0 H GLN A 28 -11.096 -15.214 -6.461 1.00 45.40 H new ATOM 0 HA GLN A 28 -11.400 -13.256 -8.464 1.00 11.05 H new ATOM 0 HB2 GLN A 28 -9.397 -13.209 -6.186 1.00 31.42 H new ATOM 0 HB3 GLN A 28 -10.185 -11.844 -6.952 1.00 31.42 H new ATOM 0 HG2 GLN A 28 -11.686 -11.907 -5.290 1.00 32.03 H new ATOM 0 HG3 GLN A 28 -12.329 -13.360 -6.030 1.00 32.03 H new ATOM 0 HE21 GLN A 28 -12.882 -14.592 -4.303 1.00 13.22 H new ATOM 0 HE22 GLN A 28 -11.754 -15.098 -3.040 1.00 13.22 H new ATOM 427 N TYR A 29 -8.820 -12.716 -9.132 1.00 70.30 N ATOM 428 CA TYR A 29 -7.619 -12.695 -9.959 1.00 2.45 C ATOM 429 C TYR A 29 -6.363 -12.775 -9.097 1.00 35.44 C ATOM 430 O TYR A 29 -6.340 -12.291 -7.965 1.00 24.20 O ATOM 431 CB TYR A 29 -7.586 -11.426 -10.814 1.00 61.14 C ATOM 432 CG TYR A 29 -8.059 -11.640 -12.234 1.00 43.33 C ATOM 433 CD1 TYR A 29 -7.228 -12.224 -13.184 1.00 54.34 C ATOM 434 CD2 TYR A 29 -9.336 -11.258 -12.627 1.00 65.14 C ATOM 435 CE1 TYR A 29 -7.656 -12.420 -14.482 1.00 64.24 C ATOM 436 CE2 TYR A 29 -9.772 -11.453 -13.923 1.00 71.22 C ATOM 437 CZ TYR A 29 -8.928 -12.034 -14.847 1.00 2.33 C ATOM 438 OH TYR A 29 -9.359 -12.229 -16.140 1.00 52.20 O ATOM 0 H TYR A 29 -9.190 -11.794 -8.901 1.00 70.30 H new ATOM 0 HA TYR A 29 -7.643 -13.566 -10.614 1.00 2.45 H new ATOM 0 HB2 TYR A 29 -8.208 -10.665 -10.344 1.00 61.14 H new ATOM 0 HB3 TYR A 29 -6.568 -11.038 -10.834 1.00 61.14 H new ATOM 0 HD1 TYR A 29 -6.231 -12.529 -12.902 1.00 54.34 H new ATOM 0 HD2 TYR A 29 -9.999 -10.801 -11.907 1.00 65.14 H new ATOM 0 HE1 TYR A 29 -6.997 -12.874 -15.208 1.00 64.24 H new ATOM 0 HE2 TYR A 29 -10.768 -11.152 -14.212 1.00 71.22 H new ATOM 0 HH TYR A 29 -8.913 -13.015 -16.518 1.00 52.20 H new ATOM 448 N LYS A 30 -5.317 -13.386 -9.642 1.00 4.25 N ATOM 449 CA LYS A 30 -4.055 -13.529 -8.927 1.00 24.44 C ATOM 450 C LYS A 30 -2.874 -13.464 -9.891 1.00 73.24 C ATOM 451 O LYS A 30 -3.043 -13.575 -11.105 1.00 23.44 O ATOM 452 CB LYS A 30 -4.027 -14.852 -8.158 1.00 24.14 C ATOM 453 CG LYS A 30 -4.228 -14.689 -6.661 1.00 43.00 C ATOM 454 CD LYS A 30 -4.576 -16.012 -5.999 1.00 73.44 C ATOM 455 CE LYS A 30 -6.068 -16.124 -5.727 1.00 53.14 C ATOM 456 NZ LYS A 30 -6.346 -16.817 -4.439 1.00 64.04 N ATOM 0 H LYS A 30 -5.319 -13.791 -10.578 1.00 4.25 H new ATOM 0 HA LYS A 30 -3.971 -12.704 -8.220 1.00 24.44 H new ATOM 0 HB2 LYS A 30 -4.804 -15.508 -8.551 1.00 24.14 H new ATOM 0 HB3 LYS A 30 -3.072 -15.346 -8.336 1.00 24.14 H new ATOM 0 HG2 LYS A 30 -3.321 -14.284 -6.213 1.00 43.00 H new ATOM 0 HG3 LYS A 30 -5.024 -13.968 -6.476 1.00 43.00 H new ATOM 0 HD2 LYS A 30 -4.259 -16.835 -6.640 1.00 73.44 H new ATOM 0 HD3 LYS A 30 -4.026 -16.107 -5.063 1.00 73.44 H new ATOM 0 HE2 LYS A 30 -6.509 -15.127 -5.706 1.00 53.14 H new ATOM 0 HE3 LYS A 30 -6.546 -16.667 -6.542 1.00 53.14 H new ATOM 0 HZ1 LYS A 30 -7.374 -16.873 -4.290 1.00 64.04 H new ATOM 0 HZ2 LYS A 30 -5.947 -17.777 -4.468 1.00 64.04 H new ATOM 0 HZ3 LYS A 30 -5.912 -16.285 -3.658 1.00 64.04 H new ATOM 470 N LEU A 31 -1.677 -13.286 -9.341 1.00 13.31 N ATOM 471 CA LEU A 31 -0.468 -13.208 -10.151 1.00 71.51 C ATOM 472 C LEU A 31 -0.368 -14.400 -11.098 1.00 55.20 C ATOM 473 O LEU A 31 0.191 -14.295 -12.190 1.00 71.34 O ATOM 474 CB LEU A 31 0.769 -13.152 -9.252 1.00 34.32 C ATOM 475 CG LEU A 31 1.502 -11.810 -9.201 1.00 10.45 C ATOM 476 CD1 LEU A 31 2.113 -11.483 -10.555 1.00 14.53 C ATOM 477 CD2 LEU A 31 0.554 -10.702 -8.760 1.00 61.21 C ATOM 0 H LEU A 31 -1.519 -13.193 -8.338 1.00 13.31 H new ATOM 0 HA LEU A 31 -0.519 -12.297 -10.747 1.00 71.51 H new ATOM 0 HB2 LEU A 31 0.469 -13.418 -8.238 1.00 34.32 H new ATOM 0 HB3 LEU A 31 1.472 -13.915 -9.587 1.00 34.32 H new ATOM 0 HG LEU A 31 2.308 -11.885 -8.471 1.00 10.45 H new ATOM 0 HD11 LEU A 31 2.630 -10.525 -10.499 1.00 14.53 H new ATOM 0 HD12 LEU A 31 2.823 -12.263 -10.832 1.00 14.53 H new ATOM 0 HD13 LEU A 31 1.325 -11.427 -11.306 1.00 14.53 H new ATOM 0 HD21 LEU A 31 1.091 -9.754 -8.729 1.00 61.21 H new ATOM 0 HD22 LEU A 31 -0.272 -10.628 -9.467 1.00 61.21 H new ATOM 0 HD23 LEU A 31 0.164 -10.930 -7.768 1.00 61.21 H new ATOM 489 N LYS A 32 -0.915 -15.533 -10.672 1.00 0.12 N ATOM 490 CA LYS A 32 -0.892 -16.745 -11.483 1.00 52.51 C ATOM 491 C LYS A 32 -1.424 -16.472 -12.885 1.00 64.40 C ATOM 492 O LYS A 32 -0.923 -17.021 -13.868 1.00 51.03 O ATOM 493 CB LYS A 32 -1.724 -17.844 -10.816 1.00 70.14 C ATOM 494 CG LYS A 32 -1.098 -19.224 -10.915 1.00 42.34 C ATOM 495 CD LYS A 32 -0.971 -19.877 -9.548 1.00 41.03 C ATOM 496 CE LYS A 32 0.054 -21.002 -9.561 1.00 52.52 C ATOM 497 NZ LYS A 32 1.416 -20.516 -9.210 1.00 34.41 N ATOM 0 H LYS A 32 -1.380 -15.638 -9.770 1.00 0.12 H new ATOM 0 HA LYS A 32 0.143 -17.078 -11.565 1.00 52.51 H new ATOM 0 HB2 LYS A 32 -1.866 -17.593 -9.765 1.00 70.14 H new ATOM 0 HB3 LYS A 32 -2.713 -17.869 -11.274 1.00 70.14 H new ATOM 0 HG2 LYS A 32 -1.705 -19.854 -11.566 1.00 42.34 H new ATOM 0 HG3 LYS A 32 -0.113 -19.146 -11.375 1.00 42.34 H new ATOM 0 HD2 LYS A 32 -0.681 -19.128 -8.811 1.00 41.03 H new ATOM 0 HD3 LYS A 32 -1.940 -20.270 -9.240 1.00 41.03 H new ATOM 0 HE2 LYS A 32 -0.248 -21.776 -8.856 1.00 52.52 H new ATOM 0 HE3 LYS A 32 0.076 -21.462 -10.549 1.00 52.52 H new ATOM 0 HZ1 LYS A 32 2.085 -21.312 -9.230 1.00 34.41 H new ATOM 0 HZ2 LYS A 32 1.715 -19.795 -9.897 1.00 34.41 H new ATOM 0 HZ3 LYS A 32 1.401 -20.100 -8.257 1.00 34.41 H new ATOM 511 N HIS A 33 -2.439 -15.619 -12.974 1.00 12.20 N ATOM 512 CA HIS A 33 -3.038 -15.271 -14.258 1.00 60.21 C ATOM 513 C HIS A 33 -2.158 -14.281 -15.016 1.00 74.42 C ATOM 514 O HIS A 33 -2.105 -14.393 -16.241 1.00 52.53 O ATOM 515 CB HIS A 33 -4.432 -14.677 -14.052 1.00 22.51 C ATOM 516 CG HIS A 33 -5.282 -15.463 -13.102 1.00 20.24 C ATOM 517 ND1 HIS A 33 -6.011 -14.881 -12.087 1.00 71.43 N ATOM 518 CD2 HIS A 33 -5.519 -16.793 -13.019 1.00 31.15 C ATOM 519 CE1 HIS A 33 -6.658 -15.820 -11.419 1.00 2.23 C ATOM 520 NE2 HIS A 33 -6.377 -16.989 -11.965 1.00 23.22 N ATOM 0 H HIS A 33 -2.865 -15.155 -12.171 1.00 12.20 H new ATOM 0 HA HIS A 33 -3.124 -16.183 -14.849 1.00 60.21 H new ATOM 0 HB2 HIS A 33 -4.332 -13.657 -13.680 1.00 22.51 H new ATOM 0 HB3 HIS A 33 -4.938 -14.616 -15.015 1.00 22.51 H new ATOM 0 HD2 HIS A 33 -5.109 -17.558 -13.662 1.00 31.15 H new ATOM 0 HE1 HIS A 33 -7.306 -15.659 -10.571 1.00 2.23 H new ATOM 0 HE2 HIS A 33 -6.738 -17.891 -11.654 1.00 23.22 H new ATOM 528 N ILE A 34 -1.489 -13.349 -14.344 1.00 24.31 N ATOM 529 CA ILE A 34 -0.635 -12.382 -15.025 1.00 44.24 C ATOM 530 C ILE A 34 0.565 -13.068 -15.671 1.00 12.01 C ATOM 531 O ILE A 34 0.999 -12.688 -16.758 1.00 51.10 O ATOM 532 CB ILE A 34 -0.132 -11.296 -14.056 1.00 22.05 C ATOM 533 CG1 ILE A 34 -1.305 -10.683 -13.289 1.00 22.51 C ATOM 534 CG2 ILE A 34 0.630 -10.221 -14.817 1.00 51.51 C ATOM 535 CD1 ILE A 34 -0.885 -9.656 -12.261 1.00 31.32 C ATOM 0 H ILE A 34 -1.522 -13.243 -13.330 1.00 24.31 H new ATOM 0 HA ILE A 34 -1.242 -11.913 -15.799 1.00 44.24 H new ATOM 0 HB ILE A 34 0.546 -11.756 -13.337 1.00 22.05 H new ATOM 0 HG12 ILE A 34 -1.988 -10.216 -13.999 1.00 22.51 H new ATOM 0 HG13 ILE A 34 -1.858 -11.479 -12.790 1.00 22.51 H new ATOM 0 HG21 ILE A 34 0.980 -9.460 -14.119 1.00 51.51 H new ATOM 0 HG22 ILE A 34 1.485 -10.670 -15.323 1.00 51.51 H new ATOM 0 HG23 ILE A 34 -0.028 -9.762 -15.555 1.00 51.51 H new ATOM 0 HD11 ILE A 34 -1.768 -9.264 -11.756 1.00 31.32 H new ATOM 0 HD12 ILE A 34 -0.226 -10.122 -11.529 1.00 31.32 H new ATOM 0 HD13 ILE A 34 -0.358 -8.840 -12.756 1.00 31.32 H new ATOM 547 N VAL A 35 1.095 -14.081 -14.994 1.00 64.33 N ATOM 548 CA VAL A 35 2.243 -14.822 -15.502 1.00 62.52 C ATOM 549 C VAL A 35 1.818 -15.837 -16.557 1.00 63.45 C ATOM 550 O VAL A 35 2.524 -16.055 -17.543 1.00 22.25 O ATOM 551 CB VAL A 35 2.985 -15.556 -14.369 1.00 40.20 C ATOM 552 CG1 VAL A 35 4.159 -16.348 -14.923 1.00 32.21 C ATOM 553 CG2 VAL A 35 3.449 -14.567 -13.310 1.00 70.44 C ATOM 0 H VAL A 35 0.748 -14.407 -14.092 1.00 64.33 H new ATOM 0 HA VAL A 35 2.916 -14.092 -15.953 1.00 62.52 H new ATOM 0 HB VAL A 35 2.295 -16.258 -13.901 1.00 40.20 H new ATOM 0 HG11 VAL A 35 4.670 -16.859 -14.107 1.00 32.21 H new ATOM 0 HG12 VAL A 35 3.796 -17.083 -15.641 1.00 32.21 H new ATOM 0 HG13 VAL A 35 4.854 -15.670 -15.418 1.00 32.21 H new ATOM 0 HG21 VAL A 35 3.971 -15.102 -12.517 1.00 70.44 H new ATOM 0 HG22 VAL A 35 4.123 -13.839 -13.762 1.00 70.44 H new ATOM 0 HG23 VAL A 35 2.585 -14.050 -12.891 1.00 70.44 H new ATOM 563 N TRP A 36 0.663 -16.456 -16.344 1.00 12.25 N ATOM 564 CA TRP A 36 0.144 -17.448 -17.278 1.00 44.45 C ATOM 565 C TRP A 36 0.033 -16.869 -18.684 1.00 72.05 C ATOM 566 O TRP A 36 0.291 -17.556 -19.670 1.00 61.21 O ATOM 567 CB TRP A 36 -1.223 -17.951 -16.811 1.00 12.10 C ATOM 568 CG TRP A 36 -1.874 -18.890 -17.782 1.00 32.01 C ATOM 569 CD1 TRP A 36 -1.881 -20.254 -17.725 1.00 12.42 C ATOM 570 CD2 TRP A 36 -2.612 -18.532 -18.956 1.00 32.31 C ATOM 571 NE1 TRP A 36 -2.578 -20.766 -18.792 1.00 23.21 N ATOM 572 CE2 TRP A 36 -3.037 -19.730 -19.562 1.00 62.24 C ATOM 573 CE3 TRP A 36 -2.955 -17.316 -19.554 1.00 71.32 C ATOM 574 CZ2 TRP A 36 -3.786 -19.745 -20.736 1.00 42.51 C ATOM 575 CZ3 TRP A 36 -3.698 -17.333 -20.718 1.00 2.52 C ATOM 576 CH2 TRP A 36 -4.108 -18.541 -21.299 1.00 30.23 C ATOM 0 H TRP A 36 0.068 -16.289 -15.533 1.00 12.25 H new ATOM 0 HA TRP A 36 0.842 -18.284 -17.305 1.00 44.45 H new ATOM 0 HB2 TRP A 36 -1.108 -18.454 -15.851 1.00 12.10 H new ATOM 0 HB3 TRP A 36 -1.880 -17.097 -16.647 1.00 12.10 H new ATOM 0 HD1 TRP A 36 -1.408 -20.844 -16.954 1.00 12.42 H new ATOM 0 HE1 TRP A 36 -2.729 -21.757 -18.981 1.00 23.21 H new ATOM 0 HE3 TRP A 36 -2.645 -16.380 -19.114 1.00 71.32 H new ATOM 0 HZ2 TRP A 36 -4.101 -20.675 -21.186 1.00 42.51 H new ATOM 0 HZ3 TRP A 36 -3.968 -16.399 -21.189 1.00 2.52 H new ATOM 0 HH2 TRP A 36 -4.689 -18.520 -22.209 1.00 30.23 H new ATOM 587 N ALA A 37 -0.352 -15.599 -18.767 1.00 53.33 N ATOM 588 CA ALA A 37 -0.494 -14.927 -20.052 1.00 74.44 C ATOM 589 C ALA A 37 0.867 -14.538 -20.622 1.00 2.21 C ATOM 590 O ALA A 37 1.132 -14.733 -21.808 1.00 33.32 O ATOM 591 CB ALA A 37 -1.379 -13.698 -19.910 1.00 34.05 C ATOM 0 H ALA A 37 -0.571 -15.016 -17.959 1.00 53.33 H new ATOM 0 HA ALA A 37 -0.965 -15.622 -20.747 1.00 74.44 H new ATOM 0 HB1 ALA A 37 -1.476 -13.206 -20.878 1.00 34.05 H new ATOM 0 HB2 ALA A 37 -2.365 -13.999 -19.555 1.00 34.05 H new ATOM 0 HB3 ALA A 37 -0.931 -13.008 -19.195 1.00 34.05 H new ATOM 597 N SER A 38 1.725 -13.989 -19.769 1.00 70.20 N ATOM 598 CA SER A 38 3.057 -13.568 -20.188 1.00 4.15 C ATOM 599 C SER A 38 3.783 -14.703 -20.906 1.00 54.31 C ATOM 600 O SER A 38 4.454 -14.484 -21.915 1.00 21.43 O ATOM 601 CB SER A 38 3.874 -13.108 -18.980 1.00 22.02 C ATOM 602 OG SER A 38 4.827 -14.087 -18.606 1.00 50.24 O ATOM 0 H SER A 38 1.522 -13.825 -18.783 1.00 70.20 H new ATOM 0 HA SER A 38 2.947 -12.734 -20.881 1.00 4.15 H new ATOM 0 HB2 SER A 38 4.382 -12.173 -19.216 1.00 22.02 H new ATOM 0 HB3 SER A 38 3.207 -12.906 -18.142 1.00 22.02 H new ATOM 0 HG SER A 38 4.371 -14.840 -18.176 1.00 50.24 H new ATOM 608 N ARG A 39 3.645 -15.914 -20.377 1.00 1.43 N ATOM 609 CA ARG A 39 4.287 -17.083 -20.965 1.00 75.41 C ATOM 610 C ARG A 39 3.781 -17.326 -22.383 1.00 33.23 C ATOM 611 O ARG A 39 4.567 -17.548 -23.303 1.00 71.32 O ATOM 612 CB ARG A 39 4.032 -18.320 -20.102 1.00 75.40 C ATOM 613 CG ARG A 39 5.182 -18.656 -19.165 1.00 14.21 C ATOM 614 CD ARG A 39 5.792 -20.009 -19.495 1.00 54.21 C ATOM 615 NE ARG A 39 6.515 -20.574 -18.360 1.00 52.45 N ATOM 616 CZ ARG A 39 7.301 -21.641 -18.447 1.00 43.34 C ATOM 617 NH1 ARG A 39 7.465 -22.255 -19.610 1.00 72.43 N ATOM 618 NH2 ARG A 39 7.925 -22.098 -17.368 1.00 14.33 N ATOM 0 H ARG A 39 3.094 -16.111 -19.542 1.00 1.43 H new ATOM 0 HA ARG A 39 5.360 -16.893 -21.008 1.00 75.41 H new ATOM 0 HB2 ARG A 39 3.129 -18.162 -19.513 1.00 75.40 H new ATOM 0 HB3 ARG A 39 3.843 -19.174 -20.753 1.00 75.40 H new ATOM 0 HG2 ARG A 39 5.948 -17.883 -19.235 1.00 14.21 H new ATOM 0 HG3 ARG A 39 4.825 -18.658 -18.135 1.00 14.21 H new ATOM 0 HD2 ARG A 39 5.004 -20.697 -19.802 1.00 54.21 H new ATOM 0 HD3 ARG A 39 6.471 -19.904 -20.341 1.00 54.21 H new ATOM 0 HE ARG A 39 6.411 -20.125 -17.450 1.00 52.45 H new ATOM 0 HH11 ARG A 39 6.987 -21.908 -20.442 1.00 72.43 H new ATOM 0 HH12 ARG A 39 8.069 -23.074 -19.673 1.00 72.43 H new ATOM 0 HH21 ARG A 39 7.801 -21.630 -16.470 1.00 14.33 H new ATOM 0 HH22 ARG A 39 8.528 -22.918 -17.437 1.00 14.33 H new ATOM 632 N GLU A 40 2.463 -17.282 -22.551 1.00 44.12 N ATOM 633 CA GLU A 40 1.852 -17.499 -23.858 1.00 45.53 C ATOM 634 C GLU A 40 2.265 -16.408 -24.840 1.00 13.12 C ATOM 635 O GLU A 40 2.437 -16.662 -26.033 1.00 32.10 O ATOM 636 CB GLU A 40 0.327 -17.539 -23.732 1.00 33.33 C ATOM 637 CG GLU A 40 -0.353 -18.338 -24.831 1.00 44.32 C ATOM 638 CD GLU A 40 -0.807 -19.707 -24.360 1.00 62.34 C ATOM 639 OE1 GLU A 40 -1.858 -19.786 -23.692 1.00 74.22 O ATOM 640 OE2 GLU A 40 -0.110 -20.698 -24.660 1.00 64.14 O ATOM 0 H GLU A 40 1.798 -17.098 -21.800 1.00 44.12 H new ATOM 0 HA GLU A 40 2.203 -18.458 -24.240 1.00 45.53 H new ATOM 0 HB2 GLU A 40 0.062 -17.967 -22.765 1.00 33.33 H new ATOM 0 HB3 GLU A 40 -0.057 -16.519 -23.745 1.00 33.33 H new ATOM 0 HG2 GLU A 40 -1.214 -17.781 -25.201 1.00 44.32 H new ATOM 0 HG3 GLU A 40 0.335 -18.455 -25.669 1.00 44.32 H new ATOM 647 N LEU A 41 2.422 -15.191 -24.330 1.00 64.41 N ATOM 648 CA LEU A 41 2.815 -14.058 -25.161 1.00 22.34 C ATOM 649 C LEU A 41 4.139 -14.333 -25.867 1.00 51.00 C ATOM 650 O LEU A 41 4.238 -14.217 -27.088 1.00 50.04 O ATOM 651 CB LEU A 41 2.930 -12.792 -24.312 1.00 52.41 C ATOM 652 CG LEU A 41 1.687 -11.903 -24.258 1.00 22.10 C ATOM 653 CD1 LEU A 41 1.918 -10.715 -23.338 1.00 21.12 C ATOM 654 CD2 LEU A 41 1.308 -11.432 -25.655 1.00 24.21 C ATOM 0 H LEU A 41 2.283 -14.964 -23.345 1.00 64.41 H new ATOM 0 HA LEU A 41 2.045 -13.911 -25.918 1.00 22.34 H new ATOM 0 HB2 LEU A 41 3.187 -13.084 -23.294 1.00 52.41 H new ATOM 0 HB3 LEU A 41 3.761 -12.198 -24.693 1.00 52.41 H new ATOM 0 HG LEU A 41 0.861 -12.491 -23.857 1.00 22.10 H new ATOM 0 HD11 LEU A 41 1.022 -10.095 -23.313 1.00 21.12 H new ATOM 0 HD12 LEU A 41 2.141 -11.072 -22.332 1.00 21.12 H new ATOM 0 HD13 LEU A 41 2.757 -10.126 -23.708 1.00 21.12 H new ATOM 0 HD21 LEU A 41 0.421 -10.801 -25.598 1.00 24.21 H new ATOM 0 HD22 LEU A 41 2.133 -10.862 -26.083 1.00 24.21 H new ATOM 0 HD23 LEU A 41 1.098 -12.296 -26.286 1.00 24.21 H new ATOM 666 N GLU A 42 5.153 -14.699 -25.089 1.00 45.54 N ATOM 667 CA GLU A 42 6.470 -14.993 -25.640 1.00 73.44 C ATOM 668 C GLU A 42 6.382 -16.065 -26.723 1.00 51.34 C ATOM 669 O GLU A 42 7.221 -16.126 -27.621 1.00 71.22 O ATOM 670 CB GLU A 42 7.422 -15.449 -24.531 1.00 32.02 C ATOM 671 CG GLU A 42 8.748 -15.981 -25.048 1.00 62.42 C ATOM 672 CD GLU A 42 8.740 -17.485 -25.236 1.00 51.13 C ATOM 673 OE1 GLU A 42 8.394 -18.202 -24.274 1.00 75.24 O ATOM 674 OE2 GLU A 42 9.080 -17.946 -26.345 1.00 64.42 O ATOM 0 H GLU A 42 5.087 -14.799 -24.076 1.00 45.54 H new ATOM 0 HA GLU A 42 6.858 -14.079 -26.090 1.00 73.44 H new ATOM 0 HB2 GLU A 42 7.613 -14.611 -23.860 1.00 32.02 H new ATOM 0 HB3 GLU A 42 6.934 -16.225 -23.941 1.00 32.02 H new ATOM 0 HG2 GLU A 42 8.982 -15.501 -25.998 1.00 62.42 H new ATOM 0 HG3 GLU A 42 9.541 -15.710 -24.351 1.00 62.42 H new ATOM 681 N ARG A 43 5.358 -16.908 -26.629 1.00 73.32 N ATOM 682 CA ARG A 43 5.160 -17.979 -27.598 1.00 74.12 C ATOM 683 C ARG A 43 4.714 -17.417 -28.945 1.00 1.22 C ATOM 684 O ARG A 43 4.967 -18.013 -29.992 1.00 42.11 O ATOM 685 CB ARG A 43 4.124 -18.979 -27.081 1.00 54.21 C ATOM 686 CG ARG A 43 4.423 -20.419 -27.464 1.00 54.41 C ATOM 687 CD ARG A 43 3.603 -21.396 -26.637 1.00 41.15 C ATOM 688 NE ARG A 43 3.814 -22.779 -27.055 1.00 62.32 N ATOM 689 CZ ARG A 43 3.267 -23.310 -28.144 1.00 54.32 C ATOM 690 NH1 ARG A 43 2.479 -22.576 -28.918 1.00 63.44 N ATOM 691 NH2 ARG A 43 3.507 -24.576 -28.458 1.00 65.31 N ATOM 0 H ARG A 43 4.654 -16.870 -25.892 1.00 73.32 H new ATOM 0 HA ARG A 43 6.112 -18.492 -27.735 1.00 74.12 H new ATOM 0 HB2 ARG A 43 4.070 -18.905 -25.995 1.00 54.21 H new ATOM 0 HB3 ARG A 43 3.143 -18.705 -27.468 1.00 54.21 H new ATOM 0 HG2 ARG A 43 4.209 -20.567 -28.522 1.00 54.41 H new ATOM 0 HG3 ARG A 43 5.485 -20.622 -27.322 1.00 54.41 H new ATOM 0 HD2 ARG A 43 3.867 -21.291 -25.585 1.00 41.15 H new ATOM 0 HD3 ARG A 43 2.545 -21.148 -26.726 1.00 41.15 H new ATOM 0 HE ARG A 43 4.414 -23.370 -26.480 1.00 62.32 H new ATOM 0 HH11 ARG A 43 2.292 -21.602 -28.678 1.00 63.44 H new ATOM 0 HH12 ARG A 43 2.060 -22.985 -29.753 1.00 63.44 H new ATOM 0 HH21 ARG A 43 4.112 -25.143 -27.864 1.00 65.31 H new ATOM 0 HH22 ARG A 43 3.087 -24.983 -29.294 1.00 65.31 H new ATOM 705 N PHE A 44 4.047 -16.268 -28.909 1.00 52.21 N ATOM 706 CA PHE A 44 3.563 -15.627 -30.126 1.00 73.33 C ATOM 707 C PHE A 44 4.547 -14.565 -30.609 1.00 61.01 C ATOM 708 O PHE A 44 4.161 -13.599 -31.267 1.00 61.00 O ATOM 709 CB PHE A 44 2.191 -14.994 -29.884 1.00 61.15 C ATOM 710 CG PHE A 44 1.132 -15.989 -29.504 1.00 55.01 C ATOM 711 CD1 PHE A 44 0.995 -17.177 -30.203 1.00 63.41 C ATOM 712 CD2 PHE A 44 0.273 -15.736 -28.447 1.00 51.10 C ATOM 713 CE1 PHE A 44 0.020 -18.093 -29.857 1.00 45.04 C ATOM 714 CE2 PHE A 44 -0.704 -16.649 -28.095 1.00 70.02 C ATOM 715 CZ PHE A 44 -0.829 -17.830 -28.800 1.00 14.01 C ATOM 0 H PHE A 44 3.829 -15.762 -28.051 1.00 52.21 H new ATOM 0 HA PHE A 44 3.472 -16.391 -30.898 1.00 73.33 H new ATOM 0 HB2 PHE A 44 2.278 -14.248 -29.094 1.00 61.15 H new ATOM 0 HB3 PHE A 44 1.878 -14.468 -30.786 1.00 61.15 H new ATOM 0 HD1 PHE A 44 1.658 -17.390 -31.028 1.00 63.41 H new ATOM 0 HD2 PHE A 44 0.368 -14.815 -27.891 1.00 51.10 H new ATOM 0 HE1 PHE A 44 -0.078 -19.014 -30.413 1.00 45.04 H new ATOM 0 HE2 PHE A 44 -1.368 -16.439 -27.270 1.00 70.02 H new ATOM 0 HZ PHE A 44 -1.589 -18.546 -28.525 1.00 14.01 H new ATOM 725 N ALA A 45 5.821 -14.752 -30.278 1.00 52.20 N ATOM 726 CA ALA A 45 6.860 -13.812 -30.678 1.00 50.44 C ATOM 727 C ALA A 45 6.635 -12.443 -30.046 1.00 3.23 C ATOM 728 O ALA A 45 7.142 -11.433 -30.533 1.00 34.33 O ATOM 729 CB ALA A 45 6.910 -13.695 -32.194 1.00 54.11 C ATOM 0 H ALA A 45 6.158 -15.546 -29.734 1.00 52.20 H new ATOM 0 HA ALA A 45 7.817 -14.193 -30.322 1.00 50.44 H new ATOM 0 HB1 ALA A 45 7.691 -12.990 -32.479 1.00 54.11 H new ATOM 0 HB2 ALA A 45 7.127 -14.671 -32.627 1.00 54.11 H new ATOM 0 HB3 ALA A 45 5.948 -13.340 -32.563 1.00 54.11 H new ATOM 735 N VAL A 46 5.870 -12.416 -28.959 1.00 61.01 N ATOM 736 CA VAL A 46 5.579 -11.170 -28.261 1.00 14.24 C ATOM 737 C VAL A 46 6.124 -11.196 -26.837 1.00 25.23 C ATOM 738 O VAL A 46 5.764 -12.062 -26.040 1.00 34.32 O ATOM 739 CB VAL A 46 4.063 -10.895 -28.213 1.00 31.32 C ATOM 740 CG1 VAL A 46 3.777 -9.617 -27.439 1.00 43.40 C ATOM 741 CG2 VAL A 46 3.492 -10.815 -29.620 1.00 71.10 C ATOM 0 H VAL A 46 5.441 -13.243 -28.543 1.00 61.01 H new ATOM 0 HA VAL A 46 6.069 -10.373 -28.820 1.00 14.24 H new ATOM 0 HB VAL A 46 3.577 -11.722 -27.695 1.00 31.32 H new ATOM 0 HG11 VAL A 46 2.702 -9.439 -27.415 1.00 43.40 H new ATOM 0 HG12 VAL A 46 4.151 -9.717 -26.420 1.00 43.40 H new ATOM 0 HG13 VAL A 46 4.273 -8.778 -27.926 1.00 43.40 H new ATOM 0 HG21 VAL A 46 2.421 -10.620 -29.567 1.00 71.10 H new ATOM 0 HG22 VAL A 46 3.981 -10.008 -30.166 1.00 71.10 H new ATOM 0 HG23 VAL A 46 3.664 -11.759 -30.137 1.00 71.10 H new ATOM 751 N ASN A 47 6.996 -10.243 -26.526 1.00 13.41 N ATOM 752 CA ASN A 47 7.592 -10.157 -25.198 1.00 12.02 C ATOM 753 C ASN A 47 6.523 -9.919 -24.136 1.00 62.31 C ATOM 754 O ASN A 47 5.540 -9.209 -24.356 1.00 62.24 O ATOM 755 CB ASN A 47 8.630 -9.033 -25.153 1.00 23.54 C ATOM 756 CG ASN A 47 9.970 -9.461 -25.720 1.00 24.42 C ATOM 757 OD1 ASN A 47 10.052 -10.410 -26.501 1.00 20.01 O ATOM 758 ND2 ASN A 47 11.028 -8.763 -25.328 1.00 75.20 N ATOM 0 H ASN A 47 7.306 -9.520 -27.175 1.00 13.41 H new ATOM 0 HA ASN A 47 8.084 -11.106 -24.987 1.00 12.02 H new ATOM 0 HB2 ASN A 47 8.258 -8.176 -25.714 1.00 23.54 H new ATOM 0 HB3 ASN A 47 8.763 -8.706 -24.122 1.00 23.54 H new ATOM 0 HD21 ASN A 47 11.956 -9.005 -25.675 1.00 75.20 H new ATOM 0 HD22 ASN A 47 10.913 -7.984 -24.679 1.00 75.20 H new ATOM 765 N PRO A 48 6.717 -10.525 -22.955 1.00 35.50 N ATOM 766 CA PRO A 48 5.781 -10.392 -21.834 1.00 70.31 C ATOM 767 C PRO A 48 5.794 -8.992 -21.230 1.00 62.14 C ATOM 768 O PRO A 48 4.962 -8.663 -20.385 1.00 32.44 O ATOM 769 CB PRO A 48 6.294 -11.418 -20.821 1.00 73.01 C ATOM 770 CG PRO A 48 7.743 -11.568 -21.135 1.00 52.55 C ATOM 771 CD PRO A 48 7.865 -11.384 -22.622 1.00 31.41 C ATOM 0 HA PRO A 48 4.749 -10.557 -22.143 1.00 70.31 H new ATOM 0 HB2 PRO A 48 6.144 -11.073 -19.798 1.00 73.01 H new ATOM 0 HB3 PRO A 48 5.767 -12.367 -20.918 1.00 73.01 H new ATOM 0 HG2 PRO A 48 8.337 -10.827 -20.600 1.00 52.55 H new ATOM 0 HG3 PRO A 48 8.109 -12.549 -20.832 1.00 52.55 H new ATOM 0 HD2 PRO A 48 8.810 -10.914 -22.892 1.00 31.41 H new ATOM 0 HD3 PRO A 48 7.820 -12.337 -23.150 1.00 31.41 H new ATOM 779 N GLY A 49 6.745 -8.172 -21.668 1.00 13.10 N ATOM 780 CA GLY A 49 6.848 -6.817 -21.159 1.00 53.03 C ATOM 781 C GLY A 49 5.876 -5.869 -21.833 1.00 23.22 C ATOM 782 O GLY A 49 5.958 -4.653 -21.655 1.00 54.33 O ATOM 0 H GLY A 49 7.446 -8.422 -22.366 1.00 13.10 H new ATOM 0 HA2 GLY A 49 6.662 -6.820 -20.085 1.00 53.03 H new ATOM 0 HA3 GLY A 49 7.865 -6.454 -21.305 1.00 53.03 H new ATOM 786 N LEU A 50 4.954 -6.425 -22.611 1.00 30.24 N ATOM 787 CA LEU A 50 3.962 -5.620 -23.317 1.00 51.03 C ATOM 788 C LEU A 50 2.629 -5.625 -22.575 1.00 61.11 C ATOM 789 O LEU A 50 1.573 -5.418 -23.173 1.00 35.44 O ATOM 790 CB LEU A 50 3.769 -6.146 -24.740 1.00 42.12 C ATOM 791 CG LEU A 50 5.012 -6.144 -25.631 1.00 11.43 C ATOM 792 CD1 LEU A 50 4.654 -6.566 -27.047 1.00 4.43 C ATOM 793 CD2 LEU A 50 5.664 -4.769 -25.631 1.00 41.02 C ATOM 0 H LEU A 50 4.872 -7.429 -22.769 1.00 30.24 H new ATOM 0 HA LEU A 50 4.328 -4.594 -23.362 1.00 51.03 H new ATOM 0 HB2 LEU A 50 3.391 -7.167 -24.680 1.00 42.12 H new ATOM 0 HB3 LEU A 50 2.998 -5.548 -25.225 1.00 42.12 H new ATOM 0 HG LEU A 50 5.726 -6.863 -25.229 1.00 11.43 H new ATOM 0 HD11 LEU A 50 5.551 -6.559 -27.667 1.00 4.43 H new ATOM 0 HD12 LEU A 50 4.232 -7.571 -27.031 1.00 4.43 H new ATOM 0 HD13 LEU A 50 3.922 -5.871 -27.460 1.00 4.43 H new ATOM 0 HD21 LEU A 50 6.547 -4.785 -26.270 1.00 41.02 H new ATOM 0 HD22 LEU A 50 4.956 -4.031 -26.008 1.00 41.02 H new ATOM 0 HD23 LEU A 50 5.956 -4.505 -24.615 1.00 41.02 H new ATOM 805 N LEU A 51 2.686 -5.861 -21.269 1.00 51.22 N ATOM 806 CA LEU A 51 1.483 -5.891 -20.443 1.00 70.33 C ATOM 807 C LEU A 51 1.515 -4.782 -19.395 1.00 24.24 C ATOM 808 O LEU A 51 0.470 -4.304 -18.954 1.00 34.51 O ATOM 809 CB LEU A 51 1.344 -7.252 -19.759 1.00 15.10 C ATOM 810 CG LEU A 51 1.447 -8.475 -20.670 1.00 64.31 C ATOM 811 CD1 LEU A 51 1.776 -9.718 -19.859 1.00 43.53 C ATOM 812 CD2 LEU A 51 0.155 -8.669 -21.450 1.00 43.15 C ATOM 0 H LEU A 51 3.552 -6.034 -20.759 1.00 51.22 H new ATOM 0 HA LEU A 51 0.622 -5.728 -21.091 1.00 70.33 H new ATOM 0 HB2 LEU A 51 2.113 -7.330 -18.991 1.00 15.10 H new ATOM 0 HB3 LEU A 51 0.381 -7.283 -19.250 1.00 15.10 H new ATOM 0 HG LEU A 51 2.255 -8.308 -21.382 1.00 64.31 H new ATOM 0 HD11 LEU A 51 1.845 -10.579 -20.524 1.00 43.53 H new ATOM 0 HD12 LEU A 51 2.728 -9.577 -19.347 1.00 43.53 H new ATOM 0 HD13 LEU A 51 0.991 -9.891 -19.123 1.00 43.53 H new ATOM 0 HD21 LEU A 51 0.246 -9.544 -22.093 1.00 43.15 H new ATOM 0 HD22 LEU A 51 -0.672 -8.815 -20.754 1.00 43.15 H new ATOM 0 HD23 LEU A 51 -0.037 -7.787 -22.062 1.00 43.15 H new ATOM 824 N GLU A 52 2.719 -4.379 -19.004 1.00 13.22 N ATOM 825 CA GLU A 52 2.885 -3.326 -18.009 1.00 72.41 C ATOM 826 C GLU A 52 2.602 -1.955 -18.617 1.00 74.22 C ATOM 827 O GLU A 52 2.572 -0.945 -17.912 1.00 30.31 O ATOM 828 CB GLU A 52 4.302 -3.358 -17.431 1.00 4.24 C ATOM 829 CG GLU A 52 5.371 -2.913 -18.416 1.00 15.43 C ATOM 830 CD GLU A 52 6.720 -3.545 -18.136 1.00 31.40 C ATOM 831 OE1 GLU A 52 6.766 -4.772 -17.915 1.00 53.35 O ATOM 832 OE2 GLU A 52 7.731 -2.810 -18.140 1.00 0.52 O ATOM 0 H GLU A 52 3.593 -4.765 -19.360 1.00 13.22 H new ATOM 0 HA GLU A 52 2.170 -3.503 -17.206 1.00 72.41 H new ATOM 0 HB2 GLU A 52 4.341 -2.716 -16.551 1.00 4.24 H new ATOM 0 HB3 GLU A 52 4.526 -4.371 -17.097 1.00 4.24 H new ATOM 0 HG2 GLU A 52 5.057 -3.169 -19.428 1.00 15.43 H new ATOM 0 HG3 GLU A 52 5.467 -1.828 -18.377 1.00 15.43 H new ATOM 839 N THR A 53 2.397 -1.925 -19.930 1.00 44.04 N ATOM 840 CA THR A 53 2.119 -0.680 -20.633 1.00 31.23 C ATOM 841 C THR A 53 0.747 -0.718 -21.298 1.00 30.31 C ATOM 842 O THR A 53 0.410 -1.677 -21.992 1.00 63.13 O ATOM 843 CB THR A 53 3.188 -0.388 -21.703 1.00 55.50 C ATOM 844 OG1 THR A 53 3.018 -1.270 -22.817 1.00 62.40 O ATOM 845 CG2 THR A 53 4.587 -0.551 -21.128 1.00 45.21 C ATOM 0 H THR A 53 2.418 -2.751 -20.528 1.00 44.04 H new ATOM 0 HA THR A 53 2.136 0.115 -19.887 1.00 31.23 H new ATOM 0 HB THR A 53 3.067 0.643 -22.035 1.00 55.50 H new ATOM 0 HG1 THR A 53 3.700 -1.077 -23.494 1.00 62.40 H new ATOM 0 HG21 THR A 53 5.325 -0.340 -21.902 1.00 45.21 H new ATOM 0 HG22 THR A 53 4.722 0.143 -20.298 1.00 45.21 H new ATOM 0 HG23 THR A 53 4.717 -1.573 -20.772 1.00 45.21 H new ATOM 853 N SER A 54 -0.039 0.331 -21.083 1.00 55.21 N ATOM 854 CA SER A 54 -1.376 0.416 -21.659 1.00 72.23 C ATOM 855 C SER A 54 -1.325 0.252 -23.175 1.00 13.12 C ATOM 856 O SER A 54 -2.295 -0.181 -23.796 1.00 63.25 O ATOM 857 CB SER A 54 -2.026 1.754 -21.300 1.00 74.55 C ATOM 858 OG SER A 54 -1.612 2.777 -22.190 1.00 61.33 O ATOM 0 H SER A 54 0.227 1.135 -20.514 1.00 55.21 H new ATOM 0 HA SER A 54 -1.976 -0.393 -21.243 1.00 72.23 H new ATOM 0 HB2 SER A 54 -3.111 1.655 -21.334 1.00 74.55 H new ATOM 0 HB3 SER A 54 -1.762 2.028 -20.278 1.00 74.55 H new ATOM 0 HG SER A 54 -2.042 3.621 -21.941 1.00 61.33 H new ATOM 864 N GLU A 55 -0.186 0.604 -23.764 1.00 72.34 N ATOM 865 CA GLU A 55 -0.008 0.497 -25.208 1.00 55.22 C ATOM 866 C GLU A 55 0.211 -0.954 -25.622 1.00 5.42 C ATOM 867 O GLU A 55 -0.375 -1.427 -26.597 1.00 61.14 O ATOM 868 CB GLU A 55 1.176 1.353 -25.663 1.00 40.24 C ATOM 869 CG GLU A 55 1.106 2.793 -25.182 1.00 30.12 C ATOM 870 CD GLU A 55 1.705 3.769 -26.175 1.00 64.20 C ATOM 871 OE1 GLU A 55 1.511 3.570 -27.393 1.00 4.45 O ATOM 872 OE2 GLU A 55 2.370 4.731 -25.737 1.00 1.35 O ATOM 0 H GLU A 55 0.626 0.965 -23.264 1.00 72.34 H new ATOM 0 HA GLU A 55 -0.916 0.861 -25.689 1.00 55.22 H new ATOM 0 HB2 GLU A 55 2.100 0.902 -25.301 1.00 40.24 H new ATOM 0 HB3 GLU A 55 1.223 1.344 -26.752 1.00 40.24 H new ATOM 0 HG2 GLU A 55 0.065 3.060 -24.998 1.00 30.12 H new ATOM 0 HG3 GLU A 55 1.631 2.880 -24.231 1.00 30.12 H new ATOM 879 N GLY A 56 1.057 -1.657 -24.876 1.00 41.22 N ATOM 880 CA GLY A 56 1.339 -3.047 -25.183 1.00 53.32 C ATOM 881 C GLY A 56 0.083 -3.894 -25.238 1.00 62.22 C ATOM 882 O GLY A 56 -0.150 -4.607 -26.215 1.00 10.13 O ATOM 0 H GLY A 56 1.552 -1.289 -24.064 1.00 41.22 H new ATOM 0 HA2 GLY A 56 1.856 -3.107 -26.141 1.00 53.32 H new ATOM 0 HA3 GLY A 56 2.015 -3.453 -24.430 1.00 53.32 H new ATOM 886 N CYS A 57 -0.725 -3.821 -24.187 1.00 53.21 N ATOM 887 CA CYS A 57 -1.963 -4.589 -24.118 1.00 61.02 C ATOM 888 C CYS A 57 -2.844 -4.312 -25.333 1.00 73.43 C ATOM 889 O CYS A 57 -3.424 -5.229 -25.913 1.00 0.24 O ATOM 890 CB CYS A 57 -2.725 -4.256 -22.835 1.00 40.30 C ATOM 891 SG CYS A 57 -2.211 -5.227 -21.398 1.00 5.23 S ATOM 0 H CYS A 57 -0.545 -3.237 -23.370 1.00 53.21 H new ATOM 0 HA CYS A 57 -1.704 -5.648 -24.113 1.00 61.02 H new ATOM 0 HB2 CYS A 57 -2.593 -3.197 -22.611 1.00 40.30 H new ATOM 0 HB3 CYS A 57 -3.790 -4.415 -23.006 1.00 40.30 H new ATOM 0 HG CYS A 57 -2.994 -4.964 -20.394 1.00 5.23 H new ATOM 897 N ARG A 58 -2.938 -3.041 -25.710 1.00 24.41 N ATOM 898 CA ARG A 58 -3.750 -2.642 -26.854 1.00 71.23 C ATOM 899 C ARG A 58 -3.354 -3.428 -28.101 1.00 0.00 C ATOM 900 O ARG A 58 -4.209 -3.971 -28.800 1.00 24.13 O ATOM 901 CB ARG A 58 -3.600 -1.142 -27.114 1.00 22.01 C ATOM 902 CG ARG A 58 -4.921 -0.391 -27.126 1.00 42.32 C ATOM 903 CD ARG A 58 -5.337 -0.016 -28.540 1.00 35.31 C ATOM 904 NE ARG A 58 -6.489 0.881 -28.552 1.00 11.01 N ATOM 905 CZ ARG A 58 -7.742 0.469 -28.392 1.00 21.43 C ATOM 906 NH1 ARG A 58 -8.003 -0.818 -28.209 1.00 21.53 N ATOM 907 NH2 ARG A 58 -8.738 1.346 -28.416 1.00 23.02 N ATOM 0 H ARG A 58 -2.462 -2.270 -25.241 1.00 24.41 H new ATOM 0 HA ARG A 58 -4.792 -2.861 -26.623 1.00 71.23 H new ATOM 0 HB2 ARG A 58 -2.954 -0.712 -26.348 1.00 22.01 H new ATOM 0 HB3 ARG A 58 -3.100 -0.996 -28.072 1.00 22.01 H new ATOM 0 HG2 ARG A 58 -5.695 -1.008 -26.669 1.00 42.32 H new ATOM 0 HG3 ARG A 58 -4.833 0.511 -26.520 1.00 42.32 H new ATOM 0 HD2 ARG A 58 -4.500 0.462 -29.049 1.00 35.31 H new ATOM 0 HD3 ARG A 58 -5.576 -0.920 -29.099 1.00 35.31 H new ATOM 0 HE ARG A 58 -6.323 1.878 -28.691 1.00 11.01 H new ATOM 0 HH11 ARG A 58 -7.241 -1.495 -28.191 1.00 21.53 H new ATOM 0 HH12 ARG A 58 -8.966 -1.131 -28.086 1.00 21.53 H new ATOM 0 HH21 ARG A 58 -8.542 2.337 -28.557 1.00 23.02 H new ATOM 0 HH22 ARG A 58 -9.700 1.029 -28.293 1.00 23.02 H new ATOM 921 N GLN A 59 -2.054 -3.481 -28.374 1.00 42.23 N ATOM 922 CA GLN A 59 -1.547 -4.199 -29.537 1.00 1.32 C ATOM 923 C GLN A 59 -1.841 -5.691 -29.427 1.00 62.34 C ATOM 924 O GLN A 59 -2.195 -6.338 -30.413 1.00 62.11 O ATOM 925 CB GLN A 59 -0.041 -3.973 -29.686 1.00 13.44 C ATOM 926 CG GLN A 59 0.340 -2.512 -29.862 1.00 21.34 C ATOM 927 CD GLN A 59 -0.333 -1.874 -31.061 1.00 21.43 C ATOM 928 OE1 GLN A 59 -1.219 -1.031 -30.916 1.00 41.35 O ATOM 929 NE2 GLN A 59 0.085 -2.273 -32.258 1.00 75.13 N ATOM 0 H GLN A 59 -1.333 -3.036 -27.806 1.00 42.23 H new ATOM 0 HA GLN A 59 -2.054 -3.812 -30.421 1.00 1.32 H new ATOM 0 HB2 GLN A 59 0.466 -4.369 -28.806 1.00 13.44 H new ATOM 0 HB3 GLN A 59 0.320 -4.540 -30.544 1.00 13.44 H new ATOM 0 HG2 GLN A 59 0.070 -1.959 -28.962 1.00 21.34 H new ATOM 0 HG3 GLN A 59 1.422 -2.433 -29.973 1.00 21.34 H new ATOM 0 HE21 GLN A 59 0.822 -2.974 -32.333 1.00 75.13 H new ATOM 0 HE22 GLN A 59 -0.331 -1.878 -33.101 1.00 75.13 H new ATOM 938 N ILE A 60 -1.691 -6.231 -28.222 1.00 2.11 N ATOM 939 CA ILE A 60 -1.941 -7.648 -27.984 1.00 14.21 C ATOM 940 C ILE A 60 -3.415 -7.986 -28.180 1.00 2.10 C ATOM 941 O ILE A 60 -3.756 -9.051 -28.697 1.00 72.45 O ATOM 942 CB ILE A 60 -1.515 -8.063 -26.563 1.00 62.00 C ATOM 943 CG1 ILE A 60 -0.030 -7.767 -26.346 1.00 72.12 C ATOM 944 CG2 ILE A 60 -1.806 -9.538 -26.334 1.00 65.42 C ATOM 945 CD1 ILE A 60 0.371 -7.727 -24.888 1.00 33.44 C ATOM 0 H ILE A 60 -1.398 -5.709 -27.396 1.00 2.11 H new ATOM 0 HA ILE A 60 -1.344 -8.201 -28.710 1.00 14.21 H new ATOM 0 HB ILE A 60 -2.091 -7.483 -25.842 1.00 62.00 H new ATOM 0 HG12 ILE A 60 0.562 -8.527 -26.857 1.00 72.12 H new ATOM 0 HG13 ILE A 60 0.213 -6.810 -26.808 1.00 72.12 H new ATOM 0 HG21 ILE A 60 -1.500 -9.817 -25.326 1.00 65.42 H new ATOM 0 HG22 ILE A 60 -2.874 -9.721 -26.453 1.00 65.42 H new ATOM 0 HG23 ILE A 60 -1.253 -10.135 -27.059 1.00 65.42 H new ATOM 0 HD11 ILE A 60 1.437 -7.512 -24.810 1.00 33.44 H new ATOM 0 HD12 ILE A 60 -0.195 -6.948 -24.376 1.00 33.44 H new ATOM 0 HD13 ILE A 60 0.160 -8.692 -24.426 1.00 33.44 H new ATOM 957 N LEU A 61 -4.286 -7.073 -27.765 1.00 10.35 N ATOM 958 CA LEU A 61 -5.725 -7.273 -27.896 1.00 21.00 C ATOM 959 C LEU A 61 -6.168 -7.108 -29.347 1.00 71.23 C ATOM 960 O LEU A 61 -7.178 -7.672 -29.766 1.00 62.21 O ATOM 961 CB LEU A 61 -6.481 -6.285 -27.006 1.00 71.00 C ATOM 962 CG LEU A 61 -6.262 -6.436 -25.500 1.00 35.34 C ATOM 963 CD1 LEU A 61 -6.661 -5.161 -24.772 1.00 24.14 C ATOM 964 CD2 LEU A 61 -7.044 -7.626 -24.964 1.00 73.33 C ATOM 0 H LEU A 61 -4.021 -6.187 -27.335 1.00 10.35 H new ATOM 0 HA LEU A 61 -5.955 -8.290 -27.578 1.00 21.00 H new ATOM 0 HB2 LEU A 61 -6.195 -5.274 -27.295 1.00 71.00 H new ATOM 0 HB3 LEU A 61 -7.547 -6.385 -27.210 1.00 71.00 H new ATOM 0 HG LEU A 61 -5.201 -6.614 -25.322 1.00 35.34 H new ATOM 0 HD11 LEU A 61 -6.498 -5.287 -23.702 1.00 24.14 H new ATOM 0 HD12 LEU A 61 -6.056 -4.330 -25.136 1.00 24.14 H new ATOM 0 HD13 LEU A 61 -7.715 -4.951 -24.957 1.00 24.14 H new ATOM 0 HD21 LEU A 61 -6.876 -7.718 -23.891 1.00 73.33 H new ATOM 0 HD22 LEU A 61 -8.107 -7.478 -25.154 1.00 73.33 H new ATOM 0 HD23 LEU A 61 -6.710 -8.536 -25.463 1.00 73.33 H new ATOM 976 N GLY A 62 -5.402 -6.334 -30.110 1.00 14.41 N ATOM 977 CA GLY A 62 -5.731 -6.110 -31.506 1.00 42.55 C ATOM 978 C GLY A 62 -5.579 -7.365 -32.344 1.00 14.13 C ATOM 979 O GLY A 62 -6.155 -7.468 -33.427 1.00 13.32 O ATOM 0 H GLY A 62 -4.560 -5.858 -29.787 1.00 14.41 H new ATOM 0 HA2 GLY A 62 -6.756 -5.748 -31.581 1.00 42.55 H new ATOM 0 HA3 GLY A 62 -5.087 -5.328 -31.907 1.00 42.55 H new ATOM 983 N GLN A 63 -4.799 -8.318 -31.844 1.00 12.43 N ATOM 984 CA GLN A 63 -4.572 -9.570 -32.557 1.00 35.30 C ATOM 985 C GLN A 63 -5.602 -10.620 -32.156 1.00 52.32 C ATOM 986 O GLN A 63 -6.088 -11.380 -32.995 1.00 42.33 O ATOM 987 CB GLN A 63 -3.160 -10.090 -32.277 1.00 2.25 C ATOM 988 CG GLN A 63 -2.176 -9.811 -33.401 1.00 24.32 C ATOM 989 CD GLN A 63 -0.802 -10.392 -33.131 1.00 2.12 C ATOM 990 OE1 GLN A 63 -0.206 -11.035 -33.996 1.00 53.21 O ATOM 991 NE2 GLN A 63 -0.291 -10.169 -31.926 1.00 31.23 N ATOM 0 H GLN A 63 -4.314 -8.247 -30.949 1.00 12.43 H new ATOM 0 HA GLN A 63 -4.676 -9.376 -33.624 1.00 35.30 H new ATOM 0 HB2 GLN A 63 -2.789 -9.634 -31.359 1.00 2.25 H new ATOM 0 HB3 GLN A 63 -3.205 -11.165 -32.103 1.00 2.25 H new ATOM 0 HG2 GLN A 63 -2.565 -10.226 -34.331 1.00 24.32 H new ATOM 0 HG3 GLN A 63 -2.089 -8.734 -33.544 1.00 24.32 H new ATOM 0 HE21 GLN A 63 -0.820 -9.631 -31.240 1.00 31.23 H new ATOM 0 HE22 GLN A 63 0.630 -10.536 -31.687 1.00 31.23 H new ATOM 1000 N LEU A 64 -5.932 -10.656 -30.870 1.00 41.52 N ATOM 1001 CA LEU A 64 -6.906 -11.614 -30.356 1.00 2.25 C ATOM 1002 C LEU A 64 -8.330 -11.156 -30.656 1.00 72.11 C ATOM 1003 O LEU A 64 -9.247 -11.972 -30.755 1.00 63.40 O ATOM 1004 CB LEU A 64 -6.724 -11.798 -28.850 1.00 44.44 C ATOM 1005 CG LEU A 64 -5.282 -11.932 -28.359 1.00 55.11 C ATOM 1006 CD1 LEU A 64 -5.208 -11.728 -26.854 1.00 14.31 C ATOM 1007 CD2 LEU A 64 -4.711 -13.289 -28.744 1.00 62.22 C ATOM 0 H LEU A 64 -5.540 -10.033 -30.164 1.00 41.52 H new ATOM 0 HA LEU A 64 -6.738 -12.569 -30.855 1.00 2.25 H new ATOM 0 HB2 LEU A 64 -7.182 -10.949 -28.343 1.00 44.44 H new ATOM 0 HB3 LEU A 64 -7.275 -12.687 -28.544 1.00 44.44 H new ATOM 0 HG LEU A 64 -4.683 -11.158 -28.839 1.00 55.11 H new ATOM 0 HD11 LEU A 64 -4.174 -11.827 -26.524 1.00 14.31 H new ATOM 0 HD12 LEU A 64 -5.575 -10.733 -26.603 1.00 14.31 H new ATOM 0 HD13 LEU A 64 -5.822 -12.478 -26.355 1.00 14.31 H new ATOM 0 HD21 LEU A 64 -3.684 -13.366 -28.386 1.00 62.22 H new ATOM 0 HD22 LEU A 64 -5.313 -14.078 -28.293 1.00 62.22 H new ATOM 0 HD23 LEU A 64 -4.726 -13.396 -29.829 1.00 62.22 H new ATOM 1019 N GLN A 65 -8.507 -9.847 -30.799 1.00 14.14 N ATOM 1020 CA GLN A 65 -9.820 -9.281 -31.088 1.00 22.44 C ATOM 1021 C GLN A 65 -10.455 -9.967 -32.293 1.00 43.03 C ATOM 1022 O GLN A 65 -11.515 -10.587 -32.197 1.00 64.40 O ATOM 1023 CB GLN A 65 -9.705 -7.777 -31.347 1.00 60.24 C ATOM 1024 CG GLN A 65 -10.212 -6.923 -30.197 1.00 33.20 C ATOM 1025 CD GLN A 65 -9.852 -5.458 -30.354 1.00 73.44 C ATOM 1026 OE1 GLN A 65 -9.512 -5.005 -31.448 1.00 0.24 O ATOM 1027 NE2 GLN A 65 -9.922 -4.710 -29.260 1.00 72.44 N ATOM 0 H GLN A 65 -7.759 -9.158 -30.720 1.00 14.14 H new ATOM 0 HA GLN A 65 -10.458 -9.446 -30.220 1.00 22.44 H new ATOM 0 HB2 GLN A 65 -8.662 -7.529 -31.541 1.00 60.24 H new ATOM 0 HB3 GLN A 65 -10.265 -7.528 -32.248 1.00 60.24 H new ATOM 0 HG2 GLN A 65 -11.295 -7.021 -30.127 1.00 33.20 H new ATOM 0 HG3 GLN A 65 -9.797 -7.297 -29.261 1.00 33.20 H new ATOM 0 HE21 GLN A 65 -10.209 -5.127 -28.374 1.00 72.44 H new ATOM 0 HE22 GLN A 65 -9.689 -3.718 -29.305 1.00 72.44 H new ATOM 1036 N PRO A 66 -9.795 -9.857 -33.455 1.00 53.14 N ATOM 1037 CA PRO A 66 -10.277 -10.461 -34.701 1.00 72.15 C ATOM 1038 C PRO A 66 -10.184 -11.984 -34.680 1.00 14.23 C ATOM 1039 O PRO A 66 -10.814 -12.664 -35.490 1.00 71.43 O ATOM 1040 CB PRO A 66 -9.338 -9.883 -35.762 1.00 34.04 C ATOM 1041 CG PRO A 66 -8.090 -9.545 -35.021 1.00 5.31 C ATOM 1042 CD PRO A 66 -8.526 -9.133 -33.643 1.00 12.11 C ATOM 0 HA PRO A 66 -11.330 -10.242 -34.880 1.00 72.15 H new ATOM 0 HB2 PRO A 66 -9.144 -10.606 -36.555 1.00 34.04 H new ATOM 0 HB3 PRO A 66 -9.770 -9.000 -36.234 1.00 34.04 H new ATOM 0 HG2 PRO A 66 -7.418 -10.402 -34.978 1.00 5.31 H new ATOM 0 HG3 PRO A 66 -7.548 -8.739 -35.516 1.00 5.31 H new ATOM 0 HD2 PRO A 66 -7.790 -9.411 -32.889 1.00 12.11 H new ATOM 0 HD3 PRO A 66 -8.665 -8.054 -33.571 1.00 12.11 H new ATOM 1050 N SER A 67 -9.395 -12.511 -33.750 1.00 61.22 N ATOM 1051 CA SER A 67 -9.217 -13.953 -33.626 1.00 23.15 C ATOM 1052 C SER A 67 -10.035 -14.504 -32.462 1.00 53.04 C ATOM 1053 O SER A 67 -9.691 -15.532 -31.878 1.00 3.02 O ATOM 1054 CB SER A 67 -7.738 -14.291 -33.430 1.00 73.33 C ATOM 1055 OG SER A 67 -6.999 -14.058 -34.617 1.00 0.44 O ATOM 0 H SER A 67 -8.869 -11.961 -33.071 1.00 61.22 H new ATOM 0 HA SER A 67 -9.570 -14.418 -34.547 1.00 23.15 H new ATOM 0 HB2 SER A 67 -7.329 -13.689 -32.619 1.00 73.33 H new ATOM 0 HB3 SER A 67 -7.637 -15.335 -33.134 1.00 73.33 H new ATOM 0 HG SER A 67 -6.057 -14.280 -34.465 1.00 0.44 H new ATOM 1061 N LEU A 68 -11.119 -13.812 -32.130 1.00 55.12 N ATOM 1062 CA LEU A 68 -11.988 -14.230 -31.035 1.00 40.22 C ATOM 1063 C LEU A 68 -12.922 -15.351 -31.479 1.00 71.14 C ATOM 1064 O LEU A 68 -13.261 -16.236 -30.694 1.00 51.24 O ATOM 1065 CB LEU A 68 -12.805 -13.043 -30.523 1.00 32.12 C ATOM 1066 CG LEU A 68 -12.222 -12.293 -29.325 1.00 41.42 C ATOM 1067 CD1 LEU A 68 -13.014 -11.024 -29.052 1.00 0.11 C ATOM 1068 CD2 LEU A 68 -12.205 -13.188 -28.094 1.00 70.12 C ATOM 0 H LEU A 68 -11.417 -12.959 -32.603 1.00 55.12 H new ATOM 0 HA LEU A 68 -11.359 -14.604 -30.228 1.00 40.22 H new ATOM 0 HB2 LEU A 68 -12.932 -12.335 -31.342 1.00 32.12 H new ATOM 0 HB3 LEU A 68 -13.799 -13.401 -30.253 1.00 32.12 H new ATOM 0 HG LEU A 68 -11.196 -12.012 -29.561 1.00 41.42 H new ATOM 0 HD11 LEU A 68 -12.584 -10.504 -28.196 1.00 0.11 H new ATOM 0 HD12 LEU A 68 -12.975 -10.376 -29.927 1.00 0.11 H new ATOM 0 HD13 LEU A 68 -14.051 -11.282 -28.837 1.00 0.11 H new ATOM 0 HD21 LEU A 68 -11.787 -12.639 -27.250 1.00 70.12 H new ATOM 0 HD22 LEU A 68 -13.222 -13.499 -27.856 1.00 70.12 H new ATOM 0 HD23 LEU A 68 -11.593 -14.068 -28.293 1.00 70.12 H new ATOM 1080 N GLN A 69 -13.332 -15.306 -32.742 1.00 65.20 N ATOM 1081 CA GLN A 69 -14.226 -16.320 -33.290 1.00 33.05 C ATOM 1082 C GLN A 69 -13.483 -17.630 -33.528 1.00 41.21 C ATOM 1083 O GLN A 69 -13.967 -18.705 -33.168 1.00 74.12 O ATOM 1084 CB GLN A 69 -14.847 -15.828 -34.599 1.00 23.11 C ATOM 1085 CG GLN A 69 -15.885 -16.777 -35.175 1.00 42.52 C ATOM 1086 CD GLN A 69 -17.098 -16.930 -34.277 1.00 63.32 C ATOM 1087 OE1 GLN A 69 -17.756 -15.948 -33.931 1.00 71.20 O ATOM 1088 NE2 GLN A 69 -17.401 -18.165 -33.894 1.00 21.42 N ATOM 0 H GLN A 69 -13.060 -14.580 -33.405 1.00 65.20 H new ATOM 0 HA GLN A 69 -15.019 -16.500 -32.564 1.00 33.05 H new ATOM 0 HB2 GLN A 69 -15.310 -14.856 -34.429 1.00 23.11 H new ATOM 0 HB3 GLN A 69 -14.055 -15.679 -35.334 1.00 23.11 H new ATOM 0 HG2 GLN A 69 -16.204 -16.411 -36.151 1.00 42.52 H new ATOM 0 HG3 GLN A 69 -15.430 -17.754 -35.334 1.00 42.52 H new ATOM 0 HE21 GLN A 69 -16.828 -18.950 -34.204 1.00 21.42 H new ATOM 0 HE22 GLN A 69 -18.206 -18.328 -33.290 1.00 21.42 H new ATOM 1097 N THR A 70 -12.304 -17.536 -34.135 1.00 1.05 N ATOM 1098 CA THR A 70 -11.496 -18.714 -34.422 1.00 11.00 C ATOM 1099 C THR A 70 -10.397 -18.892 -33.381 1.00 42.14 C ATOM 1100 O THR A 70 -9.359 -19.493 -33.656 1.00 14.50 O ATOM 1101 CB THR A 70 -10.853 -18.628 -35.819 1.00 34.43 C ATOM 1102 OG1 THR A 70 -11.730 -17.943 -36.721 1.00 15.30 O ATOM 1103 CG2 THR A 70 -10.545 -20.015 -36.360 1.00 43.04 C ATOM 0 H THR A 70 -11.888 -16.655 -34.437 1.00 1.05 H new ATOM 0 HA THR A 70 -12.167 -19.573 -34.391 1.00 11.00 H new ATOM 0 HB THR A 70 -9.918 -18.074 -35.730 1.00 34.43 H new ATOM 0 HG1 THR A 70 -11.313 -17.891 -37.606 1.00 15.30 H new ATOM 0 HG21 THR A 70 -10.092 -19.928 -37.347 1.00 43.04 H new ATOM 0 HG22 THR A 70 -9.854 -20.523 -35.687 1.00 43.04 H new ATOM 0 HG23 THR A 70 -11.468 -20.590 -36.434 1.00 43.04 H new ATOM 1111 N GLY A 71 -10.634 -18.368 -32.181 1.00 61.31 N ATOM 1112 CA GLY A 71 -9.654 -18.482 -31.116 1.00 1.22 C ATOM 1113 C GLY A 71 -9.946 -19.639 -30.182 1.00 64.33 C ATOM 1114 O GLY A 71 -11.089 -19.845 -29.776 1.00 55.45 O ATOM 0 H GLY A 71 -11.486 -17.867 -31.928 1.00 61.31 H new ATOM 0 HA2 GLY A 71 -8.663 -18.611 -31.551 1.00 1.22 H new ATOM 0 HA3 GLY A 71 -9.633 -17.554 -30.545 1.00 1.22 H new ATOM 1118 N SER A 72 -8.909 -20.400 -29.844 1.00 42.23 N ATOM 1119 CA SER A 72 -9.060 -21.548 -28.957 1.00 12.33 C ATOM 1120 C SER A 72 -9.086 -21.106 -27.497 1.00 14.14 C ATOM 1121 O SER A 72 -9.044 -19.913 -27.199 1.00 52.53 O ATOM 1122 CB SER A 72 -7.921 -22.544 -29.179 1.00 23.22 C ATOM 1123 OG SER A 72 -6.659 -21.911 -29.065 1.00 33.11 O ATOM 0 H SER A 72 -7.956 -20.242 -30.171 1.00 42.23 H new ATOM 0 HA SER A 72 -10.008 -22.033 -29.189 1.00 12.33 H new ATOM 0 HB2 SER A 72 -7.993 -23.352 -28.450 1.00 23.22 H new ATOM 0 HB3 SER A 72 -8.017 -22.996 -30.166 1.00 23.22 H new ATOM 0 HG SER A 72 -6.170 -22.290 -28.305 1.00 33.11 H new ATOM 1129 N GLU A 73 -9.155 -22.077 -26.593 1.00 55.31 N ATOM 1130 CA GLU A 73 -9.188 -21.788 -25.163 1.00 63.52 C ATOM 1131 C GLU A 73 -8.010 -20.906 -24.759 1.00 5.32 C ATOM 1132 O GLU A 73 -8.102 -20.126 -23.813 1.00 53.41 O ATOM 1133 CB GLU A 73 -9.165 -23.088 -24.357 1.00 45.35 C ATOM 1134 CG GLU A 73 -10.169 -23.115 -23.216 1.00 63.41 C ATOM 1135 CD GLU A 73 -9.508 -23.283 -21.862 1.00 72.13 C ATOM 1136 OE1 GLU A 73 -9.169 -24.431 -21.505 1.00 23.14 O ATOM 1137 OE2 GLU A 73 -9.329 -22.267 -21.159 1.00 52.11 O ATOM 0 H GLU A 73 -9.189 -23.070 -26.824 1.00 55.31 H new ATOM 0 HA GLU A 73 -10.112 -21.252 -24.948 1.00 63.52 H new ATOM 0 HB2 GLU A 73 -9.366 -23.924 -25.027 1.00 45.35 H new ATOM 0 HB3 GLU A 73 -8.164 -23.237 -23.952 1.00 45.35 H new ATOM 0 HG2 GLU A 73 -10.746 -22.190 -23.222 1.00 63.41 H new ATOM 0 HG3 GLU A 73 -10.874 -23.931 -23.376 1.00 63.41 H new ATOM 1144 N GLU A 74 -6.904 -21.037 -25.485 1.00 65.22 N ATOM 1145 CA GLU A 74 -5.708 -20.254 -25.201 1.00 72.24 C ATOM 1146 C GLU A 74 -5.931 -18.781 -25.533 1.00 42.12 C ATOM 1147 O GLU A 74 -5.593 -17.897 -24.745 1.00 12.44 O ATOM 1148 CB GLU A 74 -4.516 -20.793 -25.997 1.00 12.43 C ATOM 1149 CG GLU A 74 -3.897 -22.042 -25.395 1.00 10.32 C ATOM 1150 CD GLU A 74 -4.465 -23.318 -25.984 1.00 21.32 C ATOM 1151 OE1 GLU A 74 -5.447 -23.231 -26.752 1.00 63.44 O ATOM 1152 OE2 GLU A 74 -3.927 -24.403 -25.679 1.00 11.24 O ATOM 0 H GLU A 74 -6.812 -21.678 -26.273 1.00 65.22 H new ATOM 0 HA GLU A 74 -5.493 -20.341 -24.136 1.00 72.24 H new ATOM 0 HB2 GLU A 74 -4.839 -21.012 -27.015 1.00 12.43 H new ATOM 0 HB3 GLU A 74 -3.754 -20.016 -26.065 1.00 12.43 H new ATOM 0 HG2 GLU A 74 -2.819 -22.021 -25.555 1.00 10.32 H new ATOM 0 HG3 GLU A 74 -4.060 -22.040 -24.317 1.00 10.32 H new ATOM 1159 N LEU A 75 -6.500 -18.525 -26.706 1.00 12.13 N ATOM 1160 CA LEU A 75 -6.769 -17.160 -27.144 1.00 52.40 C ATOM 1161 C LEU A 75 -7.796 -16.489 -26.237 1.00 43.22 C ATOM 1162 O LEU A 75 -7.568 -15.391 -25.731 1.00 33.11 O ATOM 1163 CB LEU A 75 -7.269 -17.156 -28.589 1.00 20.41 C ATOM 1164 CG LEU A 75 -7.250 -15.804 -29.303 1.00 52.32 C ATOM 1165 CD1 LEU A 75 -6.832 -15.972 -30.755 1.00 34.42 C ATOM 1166 CD2 LEU A 75 -8.615 -15.135 -29.213 1.00 22.43 C ATOM 0 H LEU A 75 -6.784 -19.245 -27.371 1.00 12.13 H new ATOM 0 HA LEU A 75 -5.838 -16.597 -27.087 1.00 52.40 H new ATOM 0 HB2 LEU A 75 -6.663 -17.856 -29.164 1.00 20.41 H new ATOM 0 HB3 LEU A 75 -8.291 -17.535 -28.600 1.00 20.41 H new ATOM 0 HG LEU A 75 -6.519 -15.164 -28.808 1.00 52.32 H new ATOM 0 HD11 LEU A 75 -6.824 -14.999 -31.246 1.00 34.42 H new ATOM 0 HD12 LEU A 75 -5.834 -16.408 -30.798 1.00 34.42 H new ATOM 0 HD13 LEU A 75 -7.537 -16.630 -31.263 1.00 34.42 H new ATOM 0 HD21 LEU A 75 -8.584 -14.174 -29.726 1.00 22.43 H new ATOM 0 HD22 LEU A 75 -9.364 -15.773 -29.682 1.00 22.43 H new ATOM 0 HD23 LEU A 75 -8.875 -14.979 -28.166 1.00 22.43 H new ATOM 1178 N ARG A 76 -8.927 -17.158 -26.036 1.00 64.34 N ATOM 1179 CA ARG A 76 -9.988 -16.627 -25.189 1.00 44.21 C ATOM 1180 C ARG A 76 -9.443 -16.221 -23.824 1.00 14.03 C ATOM 1181 O ARG A 76 -9.685 -15.109 -23.354 1.00 53.41 O ATOM 1182 CB ARG A 76 -11.099 -17.665 -25.018 1.00 3.25 C ATOM 1183 CG ARG A 76 -12.474 -17.159 -25.428 1.00 73.31 C ATOM 1184 CD ARG A 76 -13.371 -16.944 -24.219 1.00 15.00 C ATOM 1185 NE ARG A 76 -13.609 -18.184 -23.486 1.00 33.31 N ATOM 1186 CZ ARG A 76 -14.402 -19.156 -23.924 1.00 34.14 C ATOM 1187 NH1 ARG A 76 -15.029 -19.031 -25.086 1.00 15.41 N ATOM 1188 NH2 ARG A 76 -14.569 -20.255 -23.199 1.00 1.03 N ATOM 0 H ARG A 76 -9.132 -18.068 -26.448 1.00 64.34 H new ATOM 0 HA ARG A 76 -10.398 -15.741 -25.675 1.00 44.21 H new ATOM 0 HB2 ARG A 76 -10.855 -18.547 -25.610 1.00 3.25 H new ATOM 0 HB3 ARG A 76 -11.133 -17.980 -23.975 1.00 3.25 H new ATOM 0 HG2 ARG A 76 -12.370 -16.223 -25.976 1.00 73.31 H new ATOM 0 HG3 ARG A 76 -12.940 -17.875 -26.105 1.00 73.31 H new ATOM 0 HD2 ARG A 76 -12.913 -16.212 -23.554 1.00 15.00 H new ATOM 0 HD3 ARG A 76 -14.324 -16.527 -24.544 1.00 15.00 H new ATOM 0 HE ARG A 76 -13.141 -18.311 -22.589 1.00 33.31 H new ATOM 0 HH11 ARG A 76 -14.903 -18.187 -25.645 1.00 15.41 H new ATOM 0 HH12 ARG A 76 -15.637 -19.778 -25.420 1.00 15.41 H new ATOM 0 HH21 ARG A 76 -14.088 -20.354 -22.305 1.00 1.03 H new ATOM 0 HH22 ARG A 76 -15.178 -21.001 -23.536 1.00 1.03 H new ATOM 1202 N SER A 77 -8.705 -17.128 -23.192 1.00 63.10 N ATOM 1203 CA SER A 77 -8.128 -16.866 -21.879 1.00 4.44 C ATOM 1204 C SER A 77 -7.288 -15.593 -21.899 1.00 31.01 C ATOM 1205 O SER A 77 -7.377 -14.762 -20.995 1.00 13.54 O ATOM 1206 CB SER A 77 -7.271 -18.050 -21.429 1.00 45.52 C ATOM 1207 OG SER A 77 -8.058 -19.032 -20.776 1.00 14.55 O ATOM 0 H SER A 77 -8.492 -18.052 -23.569 1.00 63.10 H new ATOM 0 HA SER A 77 -8.946 -16.730 -21.171 1.00 4.44 H new ATOM 0 HB2 SER A 77 -6.775 -18.493 -22.293 1.00 45.52 H new ATOM 0 HB3 SER A 77 -6.488 -17.701 -20.756 1.00 45.52 H new ATOM 0 HG SER A 77 -7.572 -19.377 -19.998 1.00 14.55 H new ATOM 1213 N LEU A 78 -6.472 -15.448 -22.936 1.00 31.32 N ATOM 1214 CA LEU A 78 -5.613 -14.276 -23.077 1.00 5.22 C ATOM 1215 C LEU A 78 -6.438 -12.994 -23.071 1.00 33.45 C ATOM 1216 O LEU A 78 -6.219 -12.106 -22.246 1.00 2.31 O ATOM 1217 CB LEU A 78 -4.800 -14.368 -24.369 1.00 74.35 C ATOM 1218 CG LEU A 78 -3.330 -14.763 -24.211 1.00 11.32 C ATOM 1219 CD1 LEU A 78 -2.611 -13.785 -23.295 1.00 31.42 C ATOM 1220 CD2 LEU A 78 -3.214 -16.182 -23.674 1.00 4.44 C ATOM 0 H LEU A 78 -6.386 -16.127 -23.692 1.00 31.32 H new ATOM 0 HA LEU A 78 -4.931 -14.251 -22.227 1.00 5.22 H new ATOM 0 HB2 LEU A 78 -5.281 -15.092 -25.027 1.00 74.35 H new ATOM 0 HB3 LEU A 78 -4.844 -13.402 -24.872 1.00 74.35 H new ATOM 0 HG LEU A 78 -2.856 -14.727 -25.192 1.00 11.32 H new ATOM 0 HD11 LEU A 78 -1.567 -14.081 -23.194 1.00 31.42 H new ATOM 0 HD12 LEU A 78 -2.664 -12.782 -23.720 1.00 31.42 H new ATOM 0 HD13 LEU A 78 -3.086 -13.789 -22.314 1.00 31.42 H new ATOM 0 HD21 LEU A 78 -2.162 -16.446 -23.568 1.00 4.44 H new ATOM 0 HD22 LEU A 78 -3.703 -16.244 -22.702 1.00 4.44 H new ATOM 0 HD23 LEU A 78 -3.694 -16.874 -24.367 1.00 4.44 H new ATOM 1232 N TYR A 79 -7.387 -12.902 -23.996 1.00 62.25 N ATOM 1233 CA TYR A 79 -8.245 -11.728 -24.098 1.00 61.50 C ATOM 1234 C TYR A 79 -8.881 -11.399 -22.751 1.00 42.13 C ATOM 1235 O TYR A 79 -9.162 -10.239 -22.452 1.00 42.44 O ATOM 1236 CB TYR A 79 -9.334 -11.956 -25.147 1.00 25.44 C ATOM 1237 CG TYR A 79 -9.848 -10.680 -25.774 1.00 33.15 C ATOM 1238 CD1 TYR A 79 -9.013 -9.871 -26.536 1.00 51.45 C ATOM 1239 CD2 TYR A 79 -11.168 -10.280 -25.603 1.00 25.11 C ATOM 1240 CE1 TYR A 79 -9.479 -8.703 -27.109 1.00 64.14 C ATOM 1241 CE2 TYR A 79 -11.643 -9.116 -26.174 1.00 21.41 C ATOM 1242 CZ TYR A 79 -10.793 -8.330 -26.926 1.00 43.31 C ATOM 1243 OH TYR A 79 -11.261 -7.168 -27.495 1.00 52.51 O ATOM 0 H TYR A 79 -7.581 -13.627 -24.686 1.00 62.25 H new ATOM 0 HA TYR A 79 -7.627 -10.883 -24.403 1.00 61.50 H new ATOM 0 HB2 TYR A 79 -8.941 -12.604 -25.931 1.00 25.44 H new ATOM 0 HB3 TYR A 79 -10.167 -12.485 -24.684 1.00 25.44 H new ATOM 0 HD1 TYR A 79 -7.983 -10.160 -26.683 1.00 51.45 H new ATOM 0 HD2 TYR A 79 -11.835 -10.891 -25.013 1.00 25.11 H new ATOM 0 HE1 TYR A 79 -8.817 -8.085 -27.697 1.00 64.14 H new ATOM 0 HE2 TYR A 79 -12.673 -8.822 -26.033 1.00 21.41 H new ATOM 0 HH TYR A 79 -12.208 -7.052 -27.270 1.00 52.51 H new ATOM 1253 N ASN A 80 -9.105 -12.430 -21.943 1.00 53.05 N ATOM 1254 CA ASN A 80 -9.708 -12.253 -20.626 1.00 33.32 C ATOM 1255 C ASN A 80 -8.751 -11.531 -19.683 1.00 72.44 C ATOM 1256 O ASN A 80 -9.076 -10.476 -19.136 1.00 4.33 O ATOM 1257 CB ASN A 80 -10.100 -13.608 -20.035 1.00 74.04 C ATOM 1258 CG ASN A 80 -11.597 -13.847 -20.080 1.00 64.23 C ATOM 1259 OD1 ASN A 80 -12.289 -13.355 -20.970 1.00 20.22 O ATOM 1260 ND2 ASN A 80 -12.103 -14.607 -19.115 1.00 71.24 N ATOM 0 H ASN A 80 -8.878 -13.397 -22.177 1.00 53.05 H new ATOM 0 HA ASN A 80 -10.604 -11.643 -20.743 1.00 33.32 H new ATOM 0 HB2 ASN A 80 -9.592 -14.401 -20.583 1.00 74.04 H new ATOM 0 HB3 ASN A 80 -9.757 -13.664 -19.002 1.00 74.04 H new ATOM 0 HD21 ASN A 80 -13.104 -14.803 -19.092 1.00 71.24 H new ATOM 0 HD22 ASN A 80 -11.491 -14.994 -18.397 1.00 71.24 H new ATOM 1267 N THR A 81 -7.566 -12.105 -19.496 1.00 2.52 N ATOM 1268 CA THR A 81 -6.562 -11.517 -18.618 1.00 65.23 C ATOM 1269 C THR A 81 -6.116 -10.153 -19.129 1.00 13.33 C ATOM 1270 O THR A 81 -6.179 -9.159 -18.404 1.00 71.50 O ATOM 1271 CB THR A 81 -5.328 -12.432 -18.487 1.00 34.34 C ATOM 1272 OG1 THR A 81 -5.732 -13.744 -18.083 1.00 74.24 O ATOM 1273 CG2 THR A 81 -4.341 -11.865 -17.477 1.00 20.21 C ATOM 0 H THR A 81 -7.279 -12.977 -19.941 1.00 2.52 H new ATOM 0 HA THR A 81 -7.026 -11.401 -17.639 1.00 65.23 H new ATOM 0 HB THR A 81 -4.838 -12.488 -19.459 1.00 34.34 H new ATOM 0 HG1 THR A 81 -4.943 -14.319 -18.004 1.00 74.24 H new ATOM 0 HG21 THR A 81 -3.478 -12.527 -17.401 1.00 20.21 H new ATOM 0 HG22 THR A 81 -4.014 -10.878 -17.803 1.00 20.21 H new ATOM 0 HG23 THR A 81 -4.823 -11.784 -16.503 1.00 20.21 H new ATOM 1281 N ILE A 82 -5.670 -10.110 -20.379 1.00 32.31 N ATOM 1282 CA ILE A 82 -5.216 -8.865 -20.986 1.00 42.21 C ATOM 1283 C ILE A 82 -6.263 -7.767 -20.837 1.00 12.11 C ATOM 1284 O ILE A 82 -5.932 -6.584 -20.762 1.00 61.02 O ATOM 1285 CB ILE A 82 -4.895 -9.051 -22.481 1.00 71.21 C ATOM 1286 CG1 ILE A 82 -3.820 -10.125 -22.663 1.00 62.21 C ATOM 1287 CG2 ILE A 82 -4.444 -7.734 -23.094 1.00 12.52 C ATOM 1288 CD1 ILE A 82 -3.755 -10.682 -24.069 1.00 72.54 C ATOM 0 H ILE A 82 -5.613 -10.923 -20.992 1.00 32.31 H new ATOM 0 HA ILE A 82 -4.307 -8.572 -20.461 1.00 42.21 H new ATOM 0 HB ILE A 82 -5.800 -9.377 -22.994 1.00 71.21 H new ATOM 0 HG12 ILE A 82 -2.849 -9.704 -22.402 1.00 62.21 H new ATOM 0 HG13 ILE A 82 -4.011 -10.941 -21.966 1.00 62.21 H new ATOM 0 HG21 ILE A 82 -4.221 -7.882 -24.151 1.00 12.52 H new ATOM 0 HG22 ILE A 82 -5.238 -6.994 -22.991 1.00 12.52 H new ATOM 0 HG23 ILE A 82 -3.550 -7.381 -22.580 1.00 12.52 H new ATOM 0 HD11 ILE A 82 -2.972 -11.438 -24.125 1.00 72.54 H new ATOM 0 HD12 ILE A 82 -4.713 -11.133 -24.326 1.00 72.54 H new ATOM 0 HD13 ILE A 82 -3.533 -9.877 -24.769 1.00 72.54 H new ATOM 1300 N ALA A 83 -7.531 -8.167 -20.792 1.00 74.34 N ATOM 1301 CA ALA A 83 -8.626 -7.218 -20.647 1.00 52.20 C ATOM 1302 C ALA A 83 -8.625 -6.585 -19.260 1.00 75.01 C ATOM 1303 O ALA A 83 -8.462 -5.372 -19.119 1.00 43.22 O ATOM 1304 CB ALA A 83 -9.958 -7.904 -20.914 1.00 62.32 C ATOM 0 H ALA A 83 -7.823 -9.142 -20.854 1.00 74.34 H new ATOM 0 HA ALA A 83 -8.484 -6.424 -21.380 1.00 52.20 H new ATOM 0 HB1 ALA A 83 -10.768 -7.183 -20.802 1.00 62.32 H new ATOM 0 HB2 ALA A 83 -9.965 -8.303 -21.928 1.00 62.32 H new ATOM 0 HB3 ALA A 83 -10.097 -8.718 -20.203 1.00 62.32 H new ATOM 1310 N VAL A 84 -8.808 -7.413 -18.236 1.00 74.33 N ATOM 1311 CA VAL A 84 -8.827 -6.934 -16.859 1.00 73.23 C ATOM 1312 C VAL A 84 -7.594 -6.090 -16.553 1.00 64.14 C ATOM 1313 O VAL A 84 -7.673 -5.094 -15.834 1.00 11.10 O ATOM 1314 CB VAL A 84 -8.896 -8.104 -15.858 1.00 31.25 C ATOM 1315 CG1 VAL A 84 -8.884 -7.586 -14.429 1.00 14.40 C ATOM 1316 CG2 VAL A 84 -10.132 -8.952 -16.116 1.00 2.12 C ATOM 0 H VAL A 84 -8.945 -8.419 -18.334 1.00 74.33 H new ATOM 0 HA VAL A 84 -9.721 -6.319 -16.750 1.00 73.23 H new ATOM 0 HB VAL A 84 -8.016 -8.732 -15.998 1.00 31.25 H new ATOM 0 HG11 VAL A 84 -8.933 -8.427 -13.737 1.00 14.40 H new ATOM 0 HG12 VAL A 84 -7.966 -7.025 -14.253 1.00 14.40 H new ATOM 0 HG13 VAL A 84 -9.744 -6.935 -14.271 1.00 14.40 H new ATOM 0 HG21 VAL A 84 -10.165 -9.774 -15.401 1.00 2.12 H new ATOM 0 HG22 VAL A 84 -11.025 -8.337 -16.004 1.00 2.12 H new ATOM 0 HG23 VAL A 84 -10.093 -9.354 -17.128 1.00 2.12 H new ATOM 1326 N LEU A 85 -6.455 -6.497 -17.104 1.00 51.30 N ATOM 1327 CA LEU A 85 -5.204 -5.778 -16.891 1.00 60.32 C ATOM 1328 C LEU A 85 -5.202 -4.453 -17.646 1.00 1.03 C ATOM 1329 O LEU A 85 -4.795 -3.421 -17.110 1.00 5.31 O ATOM 1330 CB LEU A 85 -4.018 -6.634 -17.338 1.00 4.20 C ATOM 1331 CG LEU A 85 -2.652 -6.234 -16.780 1.00 1.12 C ATOM 1332 CD1 LEU A 85 -2.263 -7.138 -15.621 1.00 41.33 C ATOM 1333 CD2 LEU A 85 -1.595 -6.281 -17.873 1.00 62.25 C ATOM 0 H LEU A 85 -6.372 -7.320 -17.701 1.00 51.30 H new ATOM 0 HA LEU A 85 -5.112 -5.568 -15.825 1.00 60.32 H new ATOM 0 HB2 LEU A 85 -4.215 -7.668 -17.055 1.00 4.20 H new ATOM 0 HB3 LEU A 85 -3.966 -6.606 -18.426 1.00 4.20 H new ATOM 0 HG LEU A 85 -2.718 -5.211 -16.410 1.00 1.12 H new ATOM 0 HD11 LEU A 85 -1.288 -6.838 -15.237 1.00 41.33 H new ATOM 0 HD12 LEU A 85 -3.007 -7.054 -14.829 1.00 41.33 H new ATOM 0 HD13 LEU A 85 -2.215 -8.171 -15.966 1.00 41.33 H new ATOM 0 HD21 LEU A 85 -0.629 -5.993 -17.458 1.00 62.25 H new ATOM 0 HD22 LEU A 85 -1.531 -7.293 -18.274 1.00 62.25 H new ATOM 0 HD23 LEU A 85 -1.867 -5.591 -18.672 1.00 62.25 H new ATOM 1345 N TYR A 86 -5.660 -4.487 -18.892 1.00 44.23 N ATOM 1346 CA TYR A 86 -5.712 -3.289 -19.722 1.00 62.45 C ATOM 1347 C TYR A 86 -6.639 -2.242 -19.111 1.00 42.13 C ATOM 1348 O TYR A 86 -6.281 -1.069 -18.997 1.00 64.52 O ATOM 1349 CB TYR A 86 -6.181 -3.641 -21.134 1.00 15.10 C ATOM 1350 CG TYR A 86 -6.378 -2.434 -22.025 1.00 52.32 C ATOM 1351 CD1 TYR A 86 -5.298 -1.820 -22.645 1.00 70.32 C ATOM 1352 CD2 TYR A 86 -7.646 -1.909 -22.245 1.00 65.22 C ATOM 1353 CE1 TYR A 86 -5.474 -0.718 -23.459 1.00 73.03 C ATOM 1354 CE2 TYR A 86 -7.831 -0.808 -23.059 1.00 3.41 C ATOM 1355 CZ TYR A 86 -6.742 -0.215 -23.662 1.00 4.54 C ATOM 1356 OH TYR A 86 -6.922 0.882 -24.473 1.00 52.11 O ATOM 0 H TYR A 86 -6.001 -5.332 -19.350 1.00 44.23 H new ATOM 0 HA TYR A 86 -4.707 -2.871 -19.775 1.00 62.45 H new ATOM 0 HB2 TYR A 86 -5.452 -4.307 -21.595 1.00 15.10 H new ATOM 0 HB3 TYR A 86 -7.119 -4.192 -21.069 1.00 15.10 H new ATOM 0 HD1 TYR A 86 -4.303 -2.211 -22.488 1.00 70.32 H new ATOM 0 HD2 TYR A 86 -8.501 -2.369 -21.772 1.00 65.22 H new ATOM 0 HE1 TYR A 86 -4.623 -0.253 -23.934 1.00 73.03 H new ATOM 0 HE2 TYR A 86 -8.823 -0.414 -23.222 1.00 3.41 H new ATOM 0 HH TYR A 86 -7.632 1.448 -24.105 1.00 52.11 H new ATOM 1366 N CYS A 87 -7.832 -2.676 -18.719 1.00 74.45 N ATOM 1367 CA CYS A 87 -8.812 -1.778 -18.119 1.00 74.12 C ATOM 1368 C CYS A 87 -8.199 -1.000 -16.959 1.00 61.13 C ATOM 1369 O CYS A 87 -8.570 0.145 -16.700 1.00 11.13 O ATOM 1370 CB CYS A 87 -10.028 -2.569 -17.633 1.00 15.05 C ATOM 1371 SG CYS A 87 -10.960 -3.376 -18.955 1.00 73.12 S ATOM 0 H CYS A 87 -8.144 -3.643 -18.806 1.00 74.45 H new ATOM 0 HA CYS A 87 -9.131 -1.067 -18.881 1.00 74.12 H new ATOM 0 HB2 CYS A 87 -9.695 -3.326 -16.923 1.00 15.05 H new ATOM 0 HB3 CYS A 87 -10.694 -1.896 -17.093 1.00 15.05 H new ATOM 0 HG CYS A 87 -10.278 -4.383 -19.415 1.00 73.12 H new ATOM 1377 N VAL A 88 -7.259 -1.630 -16.263 1.00 73.43 N ATOM 1378 CA VAL A 88 -6.593 -0.997 -15.130 1.00 33.01 C ATOM 1379 C VAL A 88 -5.675 0.131 -15.590 1.00 3.35 C ATOM 1380 O VAL A 88 -5.664 1.214 -15.005 1.00 63.02 O ATOM 1381 CB VAL A 88 -5.769 -2.017 -14.321 1.00 0.15 C ATOM 1382 CG1 VAL A 88 -5.123 -1.347 -13.118 1.00 23.52 C ATOM 1383 CG2 VAL A 88 -6.644 -3.183 -13.887 1.00 63.41 C ATOM 0 H VAL A 88 -6.941 -2.578 -16.463 1.00 73.43 H new ATOM 0 HA VAL A 88 -7.376 -0.586 -14.493 1.00 33.01 H new ATOM 0 HB VAL A 88 -4.976 -2.406 -14.959 1.00 0.15 H new ATOM 0 HG11 VAL A 88 -4.545 -2.083 -12.559 1.00 23.52 H new ATOM 0 HG12 VAL A 88 -4.463 -0.549 -13.457 1.00 23.52 H new ATOM 0 HG13 VAL A 88 -5.897 -0.929 -12.475 1.00 23.52 H new ATOM 0 HG21 VAL A 88 -6.046 -3.894 -13.317 1.00 63.41 H new ATOM 0 HG22 VAL A 88 -7.460 -2.814 -13.265 1.00 63.41 H new ATOM 0 HG23 VAL A 88 -7.054 -3.678 -14.768 1.00 63.41 H new ATOM 1393 N HIS A 89 -4.909 -0.132 -16.643 1.00 34.43 N ATOM 1394 CA HIS A 89 -3.987 0.862 -17.185 1.00 12.31 C ATOM 1395 C HIS A 89 -4.751 2.016 -17.827 1.00 25.35 C ATOM 1396 O HIS A 89 -4.249 3.137 -17.753 1.00 64.32 O ATOM 1397 CB HIS A 89 -3.055 0.218 -18.212 1.00 52.45 C ATOM 1398 CG HIS A 89 -2.151 -0.824 -17.629 1.00 50.25 C ATOM 1399 ND1 HIS A 89 -1.819 -0.869 -16.291 1.00 44.02 N ATOM 1400 CD2 HIS A 89 -1.509 -1.865 -18.209 1.00 14.20 C ATOM 1401 CE1 HIS A 89 -1.012 -1.892 -16.074 1.00 63.50 C ATOM 1402 NE2 HIS A 89 -0.808 -2.513 -17.223 1.00 2.32 N ATOM 0 H HIS A 89 -4.907 -1.024 -17.138 1.00 34.43 H new ATOM 0 HA HIS A 89 -3.391 1.256 -16.362 1.00 12.31 H new ATOM 0 HB2 HIS A 89 -3.655 -0.234 -19.002 1.00 52.45 H new ATOM 0 HB3 HIS A 89 -2.448 0.995 -18.677 1.00 52.45 H new ATOM 0 HD2 HIS A 89 -1.542 -2.136 -19.254 1.00 14.20 H new ATOM 0 HE1 HIS A 89 -0.591 -2.173 -15.120 1.00 63.50 H new ATOM 0 HE2 HIS A 89 -0.225 -3.339 -17.355 1.00 2.32 H new ATOM 1411 N GLN A 90 -5.909 1.781 -18.436 1.00 52.30 N ATOM 1412 CA GLN A 90 -6.673 2.852 -19.065 1.00 51.31 C ATOM 1413 C GLN A 90 -7.423 3.672 -18.020 1.00 44.35 C ATOM 1414 O GLN A 90 -7.045 4.803 -17.715 1.00 73.52 O ATOM 1415 CB GLN A 90 -7.660 2.275 -20.081 1.00 42.05 C ATOM 1416 CG GLN A 90 -8.496 3.331 -20.785 1.00 55.02 C ATOM 1417 CD GLN A 90 -9.449 2.738 -21.803 1.00 64.31 C ATOM 1418 OE1 GLN A 90 -9.141 1.734 -22.447 1.00 4.14 O ATOM 1419 NE2 GLN A 90 -10.614 3.356 -21.955 1.00 5.45 N ATOM 0 H GLN A 90 -6.339 0.859 -18.507 1.00 52.30 H new ATOM 0 HA GLN A 90 -5.972 3.508 -19.582 1.00 51.31 H new ATOM 0 HB2 GLN A 90 -7.108 1.704 -20.827 1.00 42.05 H new ATOM 0 HB3 GLN A 90 -8.325 1.577 -19.573 1.00 42.05 H new ATOM 0 HG2 GLN A 90 -9.065 3.892 -20.044 1.00 55.02 H new ATOM 0 HG3 GLN A 90 -7.835 4.040 -21.282 1.00 55.02 H new ATOM 0 HE21 GLN A 90 -10.828 4.185 -21.400 1.00 5.45 H new ATOM 0 HE22 GLN A 90 -11.295 3.002 -22.626 1.00 5.45 H new ATOM 1428 N ARG A 91 -8.489 3.094 -17.474 1.00 74.42 N ATOM 1429 CA ARG A 91 -9.292 3.773 -16.464 1.00 45.04 C ATOM 1430 C ARG A 91 -10.439 2.882 -15.995 1.00 55.53 C ATOM 1431 O ARG A 91 -10.820 2.910 -14.824 1.00 52.30 O ATOM 1432 CB ARG A 91 -9.846 5.086 -17.020 1.00 44.04 C ATOM 1433 CG ARG A 91 -9.594 6.283 -16.118 1.00 41.15 C ATOM 1434 CD ARG A 91 -10.667 7.346 -16.290 1.00 50.03 C ATOM 1435 NE ARG A 91 -10.128 8.696 -16.151 1.00 1.21 N ATOM 1436 CZ ARG A 91 -9.810 9.243 -14.983 1.00 10.02 C ATOM 1437 NH1 ARG A 91 -9.976 8.559 -13.860 1.00 55.50 N ATOM 1438 NH2 ARG A 91 -9.324 10.477 -14.937 1.00 2.11 N ATOM 0 H ARG A 91 -8.816 2.158 -17.714 1.00 74.42 H new ATOM 0 HA ARG A 91 -8.650 3.991 -15.610 1.00 45.04 H new ATOM 0 HB2 ARG A 91 -9.398 5.276 -17.995 1.00 44.04 H new ATOM 0 HB3 ARG A 91 -10.919 4.980 -17.178 1.00 44.04 H new ATOM 0 HG2 ARG A 91 -9.567 5.957 -15.078 1.00 41.15 H new ATOM 0 HG3 ARG A 91 -8.617 6.711 -16.344 1.00 41.15 H new ATOM 0 HD2 ARG A 91 -11.129 7.239 -17.272 1.00 50.03 H new ATOM 0 HD3 ARG A 91 -11.452 7.191 -15.550 1.00 50.03 H new ATOM 0 HE ARG A 91 -9.988 9.249 -16.997 1.00 1.21 H new ATOM 0 HH11 ARG A 91 -10.349 7.610 -13.891 1.00 55.50 H new ATOM 0 HH12 ARG A 91 -9.731 8.982 -12.965 1.00 55.50 H new ATOM 0 HH21 ARG A 91 -9.194 11.007 -15.799 1.00 2.11 H new ATOM 0 HH22 ARG A 91 -9.080 10.896 -14.040 1.00 2.11 H new ATOM 1452 N ILE A 92 -10.984 2.095 -16.915 1.00 3.44 N ATOM 1453 CA ILE A 92 -12.088 1.197 -16.595 1.00 60.33 C ATOM 1454 C ILE A 92 -11.758 0.332 -15.383 1.00 4.15 C ATOM 1455 O ILE A 92 -10.740 -0.360 -15.360 1.00 4.24 O ATOM 1456 CB ILE A 92 -12.433 0.283 -17.785 1.00 64.40 C ATOM 1457 CG1 ILE A 92 -12.781 1.122 -19.016 1.00 22.42 C ATOM 1458 CG2 ILE A 92 -13.585 -0.643 -17.426 1.00 12.33 C ATOM 1459 CD1 ILE A 92 -12.050 0.689 -20.269 1.00 71.32 C ATOM 0 H ILE A 92 -10.680 2.060 -17.888 1.00 3.44 H new ATOM 0 HA ILE A 92 -12.950 1.824 -16.368 1.00 60.33 H new ATOM 0 HB ILE A 92 -11.561 -0.328 -18.019 1.00 64.40 H new ATOM 0 HG12 ILE A 92 -13.855 1.064 -19.193 1.00 22.42 H new ATOM 0 HG13 ILE A 92 -12.547 2.167 -18.811 1.00 22.42 H new ATOM 0 HG21 ILE A 92 -13.817 -1.283 -18.278 1.00 12.33 H new ATOM 0 HG22 ILE A 92 -13.303 -1.261 -16.574 1.00 12.33 H new ATOM 0 HG23 ILE A 92 -14.462 -0.049 -17.169 1.00 12.33 H new ATOM 0 HD11 ILE A 92 -12.345 1.328 -21.102 1.00 71.32 H new ATOM 0 HD12 ILE A 92 -10.975 0.773 -20.111 1.00 71.32 H new ATOM 0 HD13 ILE A 92 -12.303 -0.346 -20.498 1.00 71.32 H new ATOM 1471 N ASP A 93 -12.627 0.375 -14.380 1.00 54.42 N ATOM 1472 CA ASP A 93 -12.430 -0.407 -13.164 1.00 53.21 C ATOM 1473 C ASP A 93 -13.485 -1.502 -13.047 1.00 52.54 C ATOM 1474 O ASP A 93 -14.245 -1.546 -12.078 1.00 25.01 O ATOM 1475 CB ASP A 93 -12.480 0.501 -11.933 1.00 24.04 C ATOM 1476 CG ASP A 93 -11.277 1.419 -11.842 1.00 4.43 C ATOM 1477 OD1 ASP A 93 -10.151 0.946 -12.100 1.00 71.31 O ATOM 1478 OD2 ASP A 93 -11.463 2.610 -11.513 1.00 44.22 O ATOM 0 H ASP A 93 -13.475 0.942 -14.384 1.00 54.42 H new ATOM 0 HA ASP A 93 -11.448 -0.877 -13.218 1.00 53.21 H new ATOM 0 HB2 ASP A 93 -13.390 1.101 -11.964 1.00 24.04 H new ATOM 0 HB3 ASP A 93 -12.534 -0.113 -11.034 1.00 24.04 H new ATOM 1483 N VAL A 94 -13.527 -2.385 -14.039 1.00 1.41 N ATOM 1484 CA VAL A 94 -14.489 -3.481 -14.048 1.00 41.41 C ATOM 1485 C VAL A 94 -14.298 -4.390 -12.838 1.00 33.43 C ATOM 1486 O VAL A 94 -13.181 -4.563 -12.349 1.00 51.44 O ATOM 1487 CB VAL A 94 -14.371 -4.322 -15.332 1.00 63.10 C ATOM 1488 CG1 VAL A 94 -14.747 -3.493 -16.551 1.00 12.44 C ATOM 1489 CG2 VAL A 94 -12.964 -4.883 -15.474 1.00 43.45 C ATOM 0 H VAL A 94 -12.906 -2.363 -14.848 1.00 1.41 H new ATOM 0 HA VAL A 94 -15.481 -3.031 -14.008 1.00 41.41 H new ATOM 0 HB VAL A 94 -15.067 -5.158 -15.262 1.00 63.10 H new ATOM 0 HG11 VAL A 94 -14.657 -4.105 -17.449 1.00 12.44 H new ATOM 0 HG12 VAL A 94 -15.775 -3.144 -16.451 1.00 12.44 H new ATOM 0 HG13 VAL A 94 -14.079 -2.635 -16.628 1.00 12.44 H new ATOM 0 HG21 VAL A 94 -12.899 -5.475 -16.387 1.00 43.45 H new ATOM 0 HG22 VAL A 94 -12.248 -4.062 -15.521 1.00 43.45 H new ATOM 0 HG23 VAL A 94 -12.736 -5.514 -14.615 1.00 43.45 H new ATOM 1499 N LYS A 95 -15.394 -4.968 -12.361 1.00 45.51 N ATOM 1500 CA LYS A 95 -15.348 -5.863 -11.209 1.00 35.43 C ATOM 1501 C LYS A 95 -14.965 -7.277 -11.633 1.00 12.33 C ATOM 1502 O LYS A 95 -14.416 -8.044 -10.843 1.00 62.10 O ATOM 1503 CB LYS A 95 -16.703 -5.881 -10.498 1.00 75.21 C ATOM 1504 CG LYS A 95 -16.594 -5.859 -8.983 1.00 20.31 C ATOM 1505 CD LYS A 95 -17.959 -5.720 -8.328 1.00 51.15 C ATOM 1506 CE LYS A 95 -18.136 -4.349 -7.696 1.00 11.25 C ATOM 1507 NZ LYS A 95 -19.462 -3.754 -8.026 1.00 24.10 N ATOM 0 H LYS A 95 -16.326 -4.834 -12.753 1.00 45.51 H new ATOM 0 HA LYS A 95 -14.588 -5.491 -10.521 1.00 35.43 H new ATOM 0 HB2 LYS A 95 -17.287 -5.021 -10.825 1.00 75.21 H new ATOM 0 HB3 LYS A 95 -17.252 -6.772 -10.802 1.00 75.21 H new ATOM 0 HG2 LYS A 95 -16.116 -6.776 -8.638 1.00 20.31 H new ATOM 0 HG3 LYS A 95 -15.956 -5.031 -8.675 1.00 20.31 H new ATOM 0 HD2 LYS A 95 -18.739 -5.882 -9.072 1.00 51.15 H new ATOM 0 HD3 LYS A 95 -18.079 -6.491 -7.567 1.00 51.15 H new ATOM 0 HE2 LYS A 95 -18.034 -4.432 -6.614 1.00 11.25 H new ATOM 0 HE3 LYS A 95 -17.344 -3.685 -8.041 1.00 11.25 H new ATOM 0 HZ1 LYS A 95 -19.545 -2.820 -7.577 1.00 24.10 H new ATOM 0 HZ2 LYS A 95 -19.550 -3.651 -9.057 1.00 24.10 H new ATOM 0 HZ3 LYS A 95 -20.218 -4.375 -7.674 1.00 24.10 H new ATOM 1521 N ASP A 96 -15.260 -7.614 -12.884 1.00 62.41 N ATOM 1522 CA ASP A 96 -14.944 -8.936 -13.413 1.00 4.24 C ATOM 1523 C ASP A 96 -14.445 -8.840 -14.852 1.00 2.41 C ATOM 1524 O ASP A 96 -14.334 -7.748 -15.411 1.00 62.33 O ATOM 1525 CB ASP A 96 -16.174 -9.843 -13.346 1.00 21.43 C ATOM 1526 CG ASP A 96 -17.447 -9.123 -13.751 1.00 32.31 C ATOM 1527 OD1 ASP A 96 -17.570 -8.756 -14.939 1.00 44.04 O ATOM 1528 OD2 ASP A 96 -18.319 -8.927 -12.880 1.00 75.34 O ATOM 0 H ASP A 96 -15.717 -6.991 -13.550 1.00 62.41 H new ATOM 0 HA ASP A 96 -14.152 -9.366 -12.800 1.00 4.24 H new ATOM 0 HB2 ASP A 96 -16.023 -10.703 -13.998 1.00 21.43 H new ATOM 0 HB3 ASP A 96 -16.284 -10.227 -12.332 1.00 21.43 H new ATOM 1533 N THR A 97 -14.144 -9.991 -15.446 1.00 40.21 N ATOM 1534 CA THR A 97 -13.654 -10.036 -16.819 1.00 44.45 C ATOM 1535 C THR A 97 -14.792 -9.845 -17.814 1.00 30.45 C ATOM 1536 O THR A 97 -14.600 -9.275 -18.889 1.00 53.31 O ATOM 1537 CB THR A 97 -12.946 -11.371 -17.117 1.00 70.45 C ATOM 1538 OG1 THR A 97 -12.063 -11.709 -16.040 1.00 21.35 O ATOM 1539 CG2 THR A 97 -12.158 -11.287 -18.416 1.00 31.24 C ATOM 0 H THR A 97 -14.231 -10.903 -14.999 1.00 40.21 H new ATOM 0 HA THR A 97 -12.939 -9.221 -16.928 1.00 44.45 H new ATOM 0 HB THR A 97 -13.707 -12.145 -17.220 1.00 70.45 H new ATOM 0 HG1 THR A 97 -11.156 -11.837 -16.388 1.00 21.35 H new ATOM 0 HG21 THR A 97 -11.667 -12.241 -18.606 1.00 31.24 H new ATOM 0 HG22 THR A 97 -12.836 -11.058 -19.238 1.00 31.24 H new ATOM 0 HG23 THR A 97 -11.407 -10.502 -18.336 1.00 31.24 H new ATOM 1547 N LYS A 98 -15.977 -10.323 -17.452 1.00 42.23 N ATOM 1548 CA LYS A 98 -17.148 -10.203 -18.313 1.00 60.14 C ATOM 1549 C LYS A 98 -17.415 -8.743 -18.667 1.00 65.13 C ATOM 1550 O LYS A 98 -17.607 -8.405 -19.834 1.00 63.01 O ATOM 1551 CB LYS A 98 -18.375 -10.805 -17.627 1.00 2.41 C ATOM 1552 CG LYS A 98 -19.604 -10.860 -18.517 1.00 44.22 C ATOM 1553 CD LYS A 98 -19.821 -12.254 -19.083 1.00 63.41 C ATOM 1554 CE LYS A 98 -20.707 -12.223 -20.319 1.00 53.15 C ATOM 1555 NZ LYS A 98 -22.151 -12.140 -19.964 1.00 30.11 N ATOM 0 H LYS A 98 -16.153 -10.798 -16.567 1.00 42.23 H new ATOM 0 HA LYS A 98 -16.949 -10.752 -19.234 1.00 60.14 H new ATOM 0 HB2 LYS A 98 -18.135 -11.814 -17.291 1.00 2.41 H new ATOM 0 HB3 LYS A 98 -18.607 -10.220 -16.737 1.00 2.41 H new ATOM 0 HG2 LYS A 98 -20.482 -10.558 -17.946 1.00 44.22 H new ATOM 0 HG3 LYS A 98 -19.495 -10.147 -19.334 1.00 44.22 H new ATOM 0 HD2 LYS A 98 -18.859 -12.699 -19.335 1.00 63.41 H new ATOM 0 HD3 LYS A 98 -20.277 -12.889 -18.323 1.00 63.41 H new ATOM 0 HE2 LYS A 98 -20.436 -11.369 -20.939 1.00 53.15 H new ATOM 0 HE3 LYS A 98 -20.530 -13.118 -20.915 1.00 53.15 H new ATOM 0 HZ1 LYS A 98 -22.722 -12.121 -20.833 1.00 30.11 H new ATOM 0 HZ2 LYS A 98 -22.416 -12.968 -19.394 1.00 30.11 H new ATOM 0 HZ3 LYS A 98 -22.325 -11.273 -19.417 1.00 30.11 H new ATOM 1569 N GLU A 99 -17.424 -7.885 -17.652 1.00 60.41 N ATOM 1570 CA GLU A 99 -17.666 -6.463 -17.859 1.00 53.32 C ATOM 1571 C GLU A 99 -16.512 -5.818 -18.620 1.00 75.44 C ATOM 1572 O GLU A 99 -16.720 -4.944 -19.461 1.00 72.21 O ATOM 1573 CB GLU A 99 -17.864 -5.756 -16.516 1.00 44.35 C ATOM 1574 CG GLU A 99 -18.685 -4.481 -16.614 1.00 43.54 C ATOM 1575 CD GLU A 99 -18.880 -3.808 -15.269 1.00 70.25 C ATOM 1576 OE1 GLU A 99 -18.439 -4.379 -14.250 1.00 74.54 O ATOM 1577 OE2 GLU A 99 -19.473 -2.710 -15.236 1.00 2.11 O ATOM 0 H GLU A 99 -17.267 -8.150 -16.680 1.00 60.41 H new ATOM 0 HA GLU A 99 -18.573 -6.359 -18.454 1.00 53.32 H new ATOM 0 HB2 GLU A 99 -18.353 -6.441 -15.823 1.00 44.35 H new ATOM 0 HB3 GLU A 99 -16.888 -5.518 -16.093 1.00 44.35 H new ATOM 0 HG2 GLU A 99 -18.192 -3.787 -17.295 1.00 43.54 H new ATOM 0 HG3 GLU A 99 -19.659 -4.713 -17.045 1.00 43.54 H new ATOM 1584 N ALA A 100 -15.293 -6.256 -18.317 1.00 11.34 N ATOM 1585 CA ALA A 100 -14.106 -5.724 -18.973 1.00 20.02 C ATOM 1586 C ALA A 100 -14.169 -5.938 -20.481 1.00 34.31 C ATOM 1587 O ALA A 100 -13.549 -5.201 -21.250 1.00 41.24 O ATOM 1588 CB ALA A 100 -12.853 -6.368 -18.399 1.00 64.02 C ATOM 0 H ALA A 100 -15.103 -6.978 -17.622 1.00 11.34 H new ATOM 0 HA ALA A 100 -14.069 -4.651 -18.786 1.00 20.02 H new ATOM 0 HB1 ALA A 100 -11.974 -5.961 -18.898 1.00 64.02 H new ATOM 0 HB2 ALA A 100 -12.793 -6.159 -17.331 1.00 64.02 H new ATOM 0 HB3 ALA A 100 -12.893 -7.446 -18.556 1.00 64.02 H new ATOM 1594 N LEU A 101 -14.921 -6.950 -20.900 1.00 63.11 N ATOM 1595 CA LEU A 101 -15.064 -7.261 -22.318 1.00 12.23 C ATOM 1596 C LEU A 101 -16.164 -6.416 -22.952 1.00 73.12 C ATOM 1597 O LEU A 101 -16.127 -6.128 -24.149 1.00 53.40 O ATOM 1598 CB LEU A 101 -15.376 -8.747 -22.505 1.00 40.42 C ATOM 1599 CG LEU A 101 -14.310 -9.724 -22.011 1.00 73.44 C ATOM 1600 CD1 LEU A 101 -14.931 -11.071 -21.676 1.00 12.43 C ATOM 1601 CD2 LEU A 101 -13.212 -9.886 -23.053 1.00 60.33 C ATOM 0 H LEU A 101 -15.441 -7.569 -20.278 1.00 63.11 H new ATOM 0 HA LEU A 101 -14.121 -7.028 -22.813 1.00 12.23 H new ATOM 0 HB2 LEU A 101 -16.310 -8.969 -21.990 1.00 40.42 H new ATOM 0 HB3 LEU A 101 -15.545 -8.931 -23.566 1.00 40.42 H new ATOM 0 HG LEU A 101 -13.866 -9.317 -21.103 1.00 73.44 H new ATOM 0 HD11 LEU A 101 -14.155 -11.752 -21.326 1.00 12.43 H new ATOM 0 HD12 LEU A 101 -15.680 -10.942 -20.895 1.00 12.43 H new ATOM 0 HD13 LEU A 101 -15.403 -11.486 -22.567 1.00 12.43 H new ATOM 0 HD21 LEU A 101 -12.461 -10.585 -22.685 1.00 60.33 H new ATOM 0 HD22 LEU A 101 -13.642 -10.269 -23.978 1.00 60.33 H new ATOM 0 HD23 LEU A 101 -12.745 -8.919 -23.243 1.00 60.33 H new ATOM 1613 N ASP A 102 -17.140 -6.019 -22.142 1.00 21.10 N ATOM 1614 CA ASP A 102 -18.249 -5.203 -22.623 1.00 22.52 C ATOM 1615 C ASP A 102 -17.814 -3.752 -22.810 1.00 1.51 C ATOM 1616 O ASP A 102 -18.228 -3.086 -23.759 1.00 22.14 O ATOM 1617 CB ASP A 102 -19.424 -5.276 -21.648 1.00 34.05 C ATOM 1618 CG ASP A 102 -20.704 -5.735 -22.317 1.00 4.52 C ATOM 1619 OD1 ASP A 102 -21.102 -5.117 -23.327 1.00 20.25 O ATOM 1620 OD2 ASP A 102 -21.309 -6.714 -21.833 1.00 52.23 O ATOM 0 H ASP A 102 -17.185 -6.249 -21.149 1.00 21.10 H new ATOM 0 HA ASP A 102 -18.565 -5.596 -23.589 1.00 22.52 H new ATOM 0 HB2 ASP A 102 -19.177 -5.960 -20.836 1.00 34.05 H new ATOM 0 HB3 ASP A 102 -19.583 -4.295 -21.201 1.00 34.05 H new ATOM 1625 N LYS A 103 -16.979 -3.268 -21.897 1.00 12.31 N ATOM 1626 CA LYS A 103 -16.489 -1.896 -21.959 1.00 62.42 C ATOM 1627 C LYS A 103 -15.612 -1.688 -23.189 1.00 34.13 C ATOM 1628 O LYS A 103 -15.826 -0.755 -23.965 1.00 2.11 O ATOM 1629 CB LYS A 103 -15.699 -1.558 -20.693 1.00 61.43 C ATOM 1630 CG LYS A 103 -16.576 -1.268 -19.488 1.00 54.21 C ATOM 1631 CD LYS A 103 -17.277 0.075 -19.619 1.00 62.22 C ATOM 1632 CE LYS A 103 -18.667 0.039 -19.003 1.00 0.11 C ATOM 1633 NZ LYS A 103 -18.616 -0.151 -17.527 1.00 70.30 N ATOM 0 H LYS A 103 -16.627 -3.806 -21.105 1.00 12.31 H new ATOM 0 HA LYS A 103 -17.350 -1.231 -22.031 1.00 62.42 H new ATOM 0 HB2 LYS A 103 -15.035 -2.389 -20.457 1.00 61.43 H new ATOM 0 HB3 LYS A 103 -15.068 -0.691 -20.889 1.00 61.43 H new ATOM 0 HG2 LYS A 103 -17.319 -2.058 -19.379 1.00 54.21 H new ATOM 0 HG3 LYS A 103 -15.968 -1.275 -18.584 1.00 54.21 H new ATOM 0 HD2 LYS A 103 -16.681 0.847 -19.131 1.00 62.22 H new ATOM 0 HD3 LYS A 103 -17.351 0.347 -20.672 1.00 62.22 H new ATOM 0 HE2 LYS A 103 -19.189 0.968 -19.232 1.00 0.11 H new ATOM 0 HE3 LYS A 103 -19.243 -0.770 -19.453 1.00 0.11 H new ATOM 0 HZ1 LYS A 103 -19.583 -0.170 -17.146 1.00 70.30 H new ATOM 0 HZ2 LYS A 103 -18.140 -1.050 -17.309 1.00 70.30 H new ATOM 0 HZ3 LYS A 103 -18.089 0.634 -17.094 1.00 70.30 H new ATOM 1647 N ILE A 104 -14.626 -2.561 -23.362 1.00 64.31 N ATOM 1648 CA ILE A 104 -13.719 -2.473 -24.500 1.00 61.41 C ATOM 1649 C ILE A 104 -14.469 -2.649 -25.816 1.00 33.45 C ATOM 1650 O ILE A 104 -14.238 -1.913 -26.776 1.00 50.22 O ATOM 1651 CB ILE A 104 -12.602 -3.531 -24.414 1.00 11.53 C ATOM 1652 CG1 ILE A 104 -11.827 -3.380 -23.105 1.00 72.43 C ATOM 1653 CG2 ILE A 104 -11.667 -3.412 -25.608 1.00 43.25 C ATOM 1654 CD1 ILE A 104 -10.890 -4.533 -22.820 1.00 13.01 C ATOM 0 H ILE A 104 -14.435 -3.337 -22.729 1.00 64.31 H new ATOM 0 HA ILE A 104 -13.271 -1.480 -24.469 1.00 61.41 H new ATOM 0 HB ILE A 104 -13.057 -4.521 -24.432 1.00 11.53 H new ATOM 0 HG12 ILE A 104 -11.252 -2.455 -23.138 1.00 72.43 H new ATOM 0 HG13 ILE A 104 -12.535 -3.286 -22.282 1.00 72.43 H new ATOM 0 HG21 ILE A 104 -10.883 -4.166 -25.533 1.00 43.25 H new ATOM 0 HG22 ILE A 104 -12.231 -3.565 -26.528 1.00 43.25 H new ATOM 0 HG23 ILE A 104 -11.216 -2.420 -25.619 1.00 43.25 H new ATOM 0 HD11 ILE A 104 -10.374 -4.358 -21.876 1.00 13.01 H new ATOM 0 HD12 ILE A 104 -11.462 -5.459 -22.755 1.00 13.01 H new ATOM 0 HD13 ILE A 104 -10.158 -4.614 -23.624 1.00 13.01 H new ATOM 1666 N GLU A 105 -15.370 -3.626 -25.852 1.00 34.33 N ATOM 1667 CA GLU A 105 -16.155 -3.895 -27.051 1.00 0.50 C ATOM 1668 C GLU A 105 -16.935 -2.656 -27.481 1.00 71.43 C ATOM 1669 O GLU A 105 -17.054 -2.368 -28.671 1.00 4.23 O ATOM 1670 CB GLU A 105 -17.118 -5.058 -26.804 1.00 5.34 C ATOM 1671 CG GLU A 105 -16.513 -6.421 -27.090 1.00 44.33 C ATOM 1672 CD GLU A 105 -16.644 -6.826 -28.545 1.00 24.31 C ATOM 1673 OE1 GLU A 105 -16.185 -6.058 -29.417 1.00 23.13 O ATOM 1674 OE2 GLU A 105 -17.206 -7.908 -28.814 1.00 43.42 O ATOM 0 H GLU A 105 -15.574 -4.243 -25.066 1.00 34.33 H new ATOM 0 HA GLU A 105 -15.467 -4.165 -27.853 1.00 0.50 H new ATOM 0 HB2 GLU A 105 -17.451 -5.028 -25.767 1.00 5.34 H new ATOM 0 HB3 GLU A 105 -18.002 -4.925 -27.427 1.00 5.34 H new ATOM 0 HG2 GLU A 105 -15.459 -6.411 -26.813 1.00 44.33 H new ATOM 0 HG3 GLU A 105 -17.000 -7.169 -26.464 1.00 44.33 H new ATOM 1681 N GLU A 106 -17.464 -1.928 -26.502 1.00 21.55 N ATOM 1682 CA GLU A 106 -18.234 -0.721 -26.781 1.00 60.45 C ATOM 1683 C GLU A 106 -17.366 0.332 -27.464 1.00 24.01 C ATOM 1684 O GLU A 106 -17.829 1.053 -28.347 1.00 31.33 O ATOM 1685 CB GLU A 106 -18.819 -0.153 -25.486 1.00 63.30 C ATOM 1686 CG GLU A 106 -20.322 -0.341 -25.363 1.00 61.31 C ATOM 1687 CD GLU A 106 -21.012 0.865 -24.757 1.00 21.34 C ATOM 1688 OE1 GLU A 106 -20.445 1.467 -23.823 1.00 75.23 O ATOM 1689 OE2 GLU A 106 -22.121 1.207 -25.220 1.00 1.51 O ATOM 0 H GLU A 106 -17.374 -2.152 -25.511 1.00 21.55 H new ATOM 0 HA GLU A 106 -19.049 -0.988 -27.454 1.00 60.45 H new ATOM 0 HB2 GLU A 106 -18.331 -0.631 -24.637 1.00 63.30 H new ATOM 0 HB3 GLU A 106 -18.589 0.911 -25.429 1.00 63.30 H new ATOM 0 HG2 GLU A 106 -20.742 -0.538 -26.349 1.00 61.31 H new ATOM 0 HG3 GLU A 106 -20.526 -1.218 -24.749 1.00 61.31 H new ATOM 1696 N GLU A 107 -16.107 0.413 -27.049 1.00 71.51 N ATOM 1697 CA GLU A 107 -15.175 1.378 -27.621 1.00 34.15 C ATOM 1698 C GLU A 107 -14.908 1.072 -29.092 1.00 61.13 C ATOM 1699 O GLU A 107 -14.804 1.979 -29.916 1.00 70.11 O ATOM 1700 CB GLU A 107 -13.859 1.374 -26.840 1.00 24.24 C ATOM 1701 CG GLU A 107 -13.927 2.138 -25.529 1.00 41.13 C ATOM 1702 CD GLU A 107 -12.715 1.895 -24.648 1.00 3.21 C ATOM 1703 OE1 GLU A 107 -12.537 0.746 -24.191 1.00 74.11 O ATOM 1704 OE2 GLU A 107 -11.948 2.851 -24.418 1.00 74.14 O ATOM 0 H GLU A 107 -15.708 -0.177 -26.319 1.00 71.51 H new ATOM 0 HA GLU A 107 -15.628 2.367 -27.551 1.00 34.15 H new ATOM 0 HB2 GLU A 107 -13.571 0.343 -26.635 1.00 24.24 H new ATOM 0 HB3 GLU A 107 -13.076 1.806 -27.462 1.00 24.24 H new ATOM 0 HG2 GLU A 107 -14.011 3.204 -25.738 1.00 41.13 H new ATOM 0 HG3 GLU A 107 -14.828 1.847 -24.989 1.00 41.13 H new ATOM 1711 N GLN A 108 -14.797 -0.214 -29.411 1.00 74.12 N ATOM 1712 CA GLN A 108 -14.540 -0.640 -30.782 1.00 21.11 C ATOM 1713 C GLN A 108 -15.799 -0.521 -31.634 1.00 42.41 C ATOM 1714 O GLN A 108 -15.724 -0.322 -32.845 1.00 15.23 O ATOM 1715 CB GLN A 108 -14.031 -2.082 -30.803 1.00 73.15 C ATOM 1716 CG GLN A 108 -13.356 -2.470 -32.108 1.00 23.43 C ATOM 1717 CD GLN A 108 -12.007 -1.803 -32.290 1.00 73.11 C ATOM 1718 OE1 GLN A 108 -11.383 -1.365 -31.323 1.00 41.21 O ATOM 1719 NE2 GLN A 108 -11.550 -1.719 -33.533 1.00 64.12 N ATOM 0 H GLN A 108 -14.881 -0.978 -28.740 1.00 74.12 H new ATOM 0 HA GLN A 108 -13.776 0.014 -31.202 1.00 21.11 H new ATOM 0 HB2 GLN A 108 -13.326 -2.222 -29.983 1.00 73.15 H new ATOM 0 HB3 GLN A 108 -14.868 -2.757 -30.622 1.00 73.15 H new ATOM 0 HG2 GLN A 108 -13.229 -3.552 -32.139 1.00 23.43 H new ATOM 0 HG3 GLN A 108 -14.005 -2.202 -32.942 1.00 23.43 H new ATOM 0 HE21 GLN A 108 -12.100 -2.095 -34.305 1.00 64.12 H new ATOM 0 HE22 GLN A 108 -10.649 -1.278 -33.716 1.00 64.12 H new ATOM 1728 N ASN A 109 -16.956 -0.646 -30.992 1.00 40.43 N ATOM 1729 CA ASN A 109 -18.233 -0.553 -31.691 1.00 51.15 C ATOM 1730 C ASN A 109 -18.327 0.749 -32.479 1.00 2.24 C ATOM 1731 O ASN A 109 -18.792 0.766 -33.620 1.00 44.24 O ATOM 1732 CB ASN A 109 -19.391 -0.644 -30.695 1.00 44.22 C ATOM 1733 CG ASN A 109 -20.712 -0.954 -31.372 1.00 45.21 C ATOM 1734 OD1 ASN A 109 -20.980 -2.097 -31.742 1.00 43.40 O ATOM 1735 ND2 ASN A 109 -21.545 0.066 -31.538 1.00 10.51 N ATOM 0 H ASN A 109 -17.036 -0.812 -29.989 1.00 40.43 H new ATOM 0 HA ASN A 109 -18.298 -1.386 -32.391 1.00 51.15 H new ATOM 0 HB2 ASN A 109 -19.173 -1.417 -29.958 1.00 44.22 H new ATOM 0 HB3 ASN A 109 -19.476 0.298 -30.153 1.00 44.22 H new ATOM 0 HD21 ASN A 109 -22.449 -0.081 -31.988 1.00 10.51 H new ATOM 0 HD22 ASN A 109 -21.282 0.997 -31.216 1.00 10.51 H new ATOM 1742 N LYS A 110 -17.883 1.840 -31.866 1.00 74.14 N ATOM 1743 CA LYS A 110 -17.915 3.148 -32.509 1.00 24.20 C ATOM 1744 C LYS A 110 -16.977 3.185 -33.712 1.00 32.13 C ATOM 1745 O LYS A 110 -17.210 3.922 -34.670 1.00 23.41 O ATOM 1746 CB LYS A 110 -17.524 4.241 -31.511 1.00 24.13 C ATOM 1747 CG LYS A 110 -18.706 4.827 -30.760 1.00 53.23 C ATOM 1748 CD LYS A 110 -19.410 5.897 -31.575 1.00 14.44 C ATOM 1749 CE LYS A 110 -20.919 5.847 -31.379 1.00 44.15 C ATOM 1750 NZ LYS A 110 -21.620 5.349 -32.595 1.00 53.04 N ATOM 0 H LYS A 110 -17.496 1.844 -30.922 1.00 74.14 H new ATOM 0 HA LYS A 110 -18.932 3.329 -32.856 1.00 24.20 H new ATOM 0 HB2 LYS A 110 -16.815 3.829 -30.792 1.00 24.13 H new ATOM 0 HB3 LYS A 110 -17.009 5.041 -32.044 1.00 24.13 H new ATOM 0 HG2 LYS A 110 -19.411 4.033 -30.514 1.00 53.23 H new ATOM 0 HG3 LYS A 110 -18.364 5.253 -29.817 1.00 53.23 H new ATOM 0 HD2 LYS A 110 -19.037 6.880 -31.286 1.00 14.44 H new ATOM 0 HD3 LYS A 110 -19.175 5.765 -32.631 1.00 14.44 H new ATOM 0 HE2 LYS A 110 -21.154 5.200 -30.534 1.00 44.15 H new ATOM 0 HE3 LYS A 110 -21.286 6.843 -31.130 1.00 44.15 H new ATOM 0 HZ1 LYS A 110 -22.645 5.330 -32.421 1.00 53.04 H new ATOM 0 HZ2 LYS A 110 -21.416 5.980 -33.396 1.00 53.04 H new ATOM 0 HZ3 LYS A 110 -21.289 4.389 -32.818 1.00 53.04 H new ATOM 1764 N SER A 111 -15.917 2.385 -33.656 1.00 65.11 N ATOM 1765 CA SER A 111 -14.943 2.328 -34.740 1.00 3.51 C ATOM 1766 C SER A 111 -15.153 1.081 -35.595 1.00 0.53 C ATOM 1767 O SER A 111 -14.197 0.479 -36.081 1.00 23.01 O ATOM 1768 CB SER A 111 -13.521 2.340 -34.177 1.00 42.34 C ATOM 1769 OG SER A 111 -13.287 3.507 -33.409 1.00 34.31 O ATOM 0 H SER A 111 -15.711 1.767 -32.871 1.00 65.11 H new ATOM 0 HA SER A 111 -15.085 3.207 -35.369 1.00 3.51 H new ATOM 0 HB2 SER A 111 -13.364 1.456 -33.559 1.00 42.34 H new ATOM 0 HB3 SER A 111 -12.802 2.289 -34.995 1.00 42.34 H new ATOM 0 HG SER A 111 -12.372 3.490 -33.059 1.00 34.31 H new ATOM 1775 N LYS A 112 -16.414 0.700 -35.773 1.00 72.31 N ATOM 1776 CA LYS A 112 -16.753 -0.473 -36.570 1.00 42.22 C ATOM 1777 C LYS A 112 -17.798 -0.130 -37.626 1.00 21.05 C ATOM 1778 O LYS A 112 -17.557 -0.275 -38.825 1.00 54.04 O ATOM 1779 CB LYS A 112 -17.274 -1.594 -35.667 1.00 23.44 C ATOM 1780 CG LYS A 112 -16.761 -2.971 -36.052 1.00 51.44 C ATOM 1781 CD LYS A 112 -15.673 -3.447 -35.104 1.00 53.32 C ATOM 1782 CE LYS A 112 -14.676 -4.352 -35.808 1.00 63.13 C ATOM 1783 NZ LYS A 112 -13.517 -3.589 -36.349 1.00 14.23 N ATOM 0 H LYS A 112 -17.218 1.187 -35.376 1.00 72.31 H new ATOM 0 HA LYS A 112 -15.849 -0.812 -37.076 1.00 42.22 H new ATOM 0 HB2 LYS A 112 -16.987 -1.383 -34.637 1.00 23.44 H new ATOM 0 HB3 LYS A 112 -18.364 -1.599 -35.699 1.00 23.44 H new ATOM 0 HG2 LYS A 112 -17.587 -3.682 -36.046 1.00 51.44 H new ATOM 0 HG3 LYS A 112 -16.371 -2.944 -37.070 1.00 51.44 H new ATOM 0 HD2 LYS A 112 -15.152 -2.586 -34.686 1.00 53.32 H new ATOM 0 HD3 LYS A 112 -16.125 -3.982 -34.269 1.00 53.32 H new ATOM 0 HE2 LYS A 112 -14.318 -5.109 -35.111 1.00 63.13 H new ATOM 0 HE3 LYS A 112 -15.175 -4.878 -36.621 1.00 63.13 H new ATOM 0 HZ1 LYS A 112 -13.079 -4.126 -37.124 1.00 14.23 H new ATOM 0 HZ2 LYS A 112 -13.844 -2.669 -36.707 1.00 14.23 H new ATOM 0 HZ3 LYS A 112 -12.818 -3.438 -35.594 1.00 14.23 H new ATOM 1797 N LYS A 113 -18.961 0.327 -37.174 1.00 3.12 N ATOM 1798 CA LYS A 113 -20.044 0.695 -38.080 1.00 63.50 C ATOM 1799 C LYS A 113 -19.611 1.819 -39.017 1.00 44.42 C ATOM 1800 O LYS A 113 -20.119 1.940 -40.133 1.00 71.34 O ATOM 1801 CB LYS A 113 -21.278 1.125 -37.285 1.00 3.34 C ATOM 1802 CG LYS A 113 -21.054 2.368 -36.441 1.00 10.45 C ATOM 1803 CD LYS A 113 -22.360 2.897 -35.872 1.00 53.44 C ATOM 1804 CE LYS A 113 -22.360 4.417 -35.795 1.00 5.00 C ATOM 1805 NZ LYS A 113 -23.162 5.027 -36.891 1.00 40.21 N ATOM 0 H LYS A 113 -19.178 0.452 -36.185 1.00 3.12 H new ATOM 0 HA LYS A 113 -20.294 -0.179 -38.681 1.00 63.50 H new ATOM 0 HB2 LYS A 113 -22.100 1.309 -37.977 1.00 3.34 H new ATOM 0 HB3 LYS A 113 -21.585 0.305 -36.636 1.00 3.34 H new ATOM 0 HG2 LYS A 113 -20.368 2.137 -35.626 1.00 10.45 H new ATOM 0 HG3 LYS A 113 -20.581 3.140 -37.047 1.00 10.45 H new ATOM 0 HD2 LYS A 113 -23.191 2.563 -36.494 1.00 53.44 H new ATOM 0 HD3 LYS A 113 -22.519 2.481 -34.877 1.00 53.44 H new ATOM 0 HE2 LYS A 113 -22.762 4.732 -34.832 1.00 5.00 H new ATOM 0 HE3 LYS A 113 -21.335 4.783 -35.848 1.00 5.00 H new ATOM 0 HZ1 LYS A 113 -23.123 6.063 -36.814 1.00 40.21 H new ATOM 0 HZ2 LYS A 113 -22.774 4.733 -37.810 1.00 40.21 H new ATOM 0 HZ3 LYS A 113 -24.150 4.711 -36.816 1.00 40.21 H new ATOM 1819 N LYS A 114 -18.672 2.637 -38.557 1.00 71.23 N ATOM 1820 CA LYS A 114 -18.169 3.749 -39.354 1.00 35.34 C ATOM 1821 C LYS A 114 -17.130 3.270 -40.363 1.00 63.13 C ATOM 1822 O LYS A 114 -17.025 3.810 -41.464 1.00 12.23 O ATOM 1823 CB LYS A 114 -17.557 4.819 -38.446 1.00 13.41 C ATOM 1824 CG LYS A 114 -18.411 6.069 -38.319 1.00 42.51 C ATOM 1825 CD LYS A 114 -18.908 6.263 -36.896 1.00 43.40 C ATOM 1826 CE LYS A 114 -20.195 7.074 -36.861 1.00 65.31 C ATOM 1827 NZ LYS A 114 -20.400 7.730 -35.541 1.00 54.20 N ATOM 0 H LYS A 114 -18.243 2.551 -37.635 1.00 71.23 H new ATOM 0 HA LYS A 114 -19.008 4.180 -39.900 1.00 35.34 H new ATOM 0 HB2 LYS A 114 -17.398 4.395 -37.454 1.00 13.41 H new ATOM 0 HB3 LYS A 114 -16.577 5.096 -38.834 1.00 13.41 H new ATOM 0 HG2 LYS A 114 -17.831 6.940 -38.625 1.00 42.51 H new ATOM 0 HG3 LYS A 114 -19.262 6.000 -38.996 1.00 42.51 H new ATOM 0 HD2 LYS A 114 -19.076 5.291 -36.433 1.00 43.40 H new ATOM 0 HD3 LYS A 114 -18.142 6.768 -36.308 1.00 43.40 H new ATOM 0 HE2 LYS A 114 -20.168 7.832 -37.643 1.00 65.31 H new ATOM 0 HE3 LYS A 114 -21.041 6.422 -37.078 1.00 65.31 H new ATOM 0 HZ1 LYS A 114 -21.304 8.245 -35.546 1.00 54.20 H new ATOM 0 HZ2 LYS A 114 -20.417 7.007 -34.793 1.00 54.20 H new ATOM 0 HZ3 LYS A 114 -19.623 8.397 -35.360 1.00 54.20 H new ATOM 1841 N ALA A 115 -16.365 2.253 -39.980 1.00 61.02 N ATOM 1842 CA ALA A 115 -15.337 1.699 -40.852 1.00 23.42 C ATOM 1843 C ALA A 115 -15.956 0.866 -41.970 1.00 10.11 C ATOM 1844 O ALA A 115 -15.365 0.705 -43.037 1.00 32.22 O ATOM 1845 CB ALA A 115 -14.357 0.860 -40.047 1.00 61.35 C ATOM 0 H ALA A 115 -16.438 1.796 -39.071 1.00 61.02 H new ATOM 0 HA ALA A 115 -14.797 2.529 -41.308 1.00 23.42 H new ATOM 0 HB1 ALA A 115 -13.595 0.453 -40.712 1.00 61.35 H new ATOM 0 HB2 ALA A 115 -13.882 1.483 -39.289 1.00 61.35 H new ATOM 0 HB3 ALA A 115 -14.890 0.042 -39.563 1.00 61.35 H new ATOM 1851 N GLN A 116 -17.150 0.338 -41.716 1.00 64.32 N ATOM 1852 CA GLN A 116 -17.847 -0.481 -42.701 1.00 3.13 C ATOM 1853 C GLN A 116 -19.301 -0.044 -42.839 1.00 44.52 C ATOM 1854 O GLN A 116 -20.215 -0.863 -42.746 1.00 11.40 O ATOM 1855 CB GLN A 116 -17.780 -1.958 -42.308 1.00 11.41 C ATOM 1856 CG GLN A 116 -16.377 -2.540 -42.366 1.00 53.21 C ATOM 1857 CD GLN A 116 -15.962 -2.924 -43.773 1.00 22.11 C ATOM 1858 OE1 GLN A 116 -15.670 -2.064 -44.603 1.00 32.20 O ATOM 1859 NE2 GLN A 116 -15.935 -4.223 -44.048 1.00 3.41 N ATOM 0 H GLN A 116 -17.654 0.463 -40.838 1.00 64.32 H new ATOM 0 HA GLN A 116 -17.353 -0.347 -43.663 1.00 3.13 H new ATOM 0 HB2 GLN A 116 -18.171 -2.075 -41.297 1.00 11.41 H new ATOM 0 HB3 GLN A 116 -18.430 -2.531 -42.969 1.00 11.41 H new ATOM 0 HG2 GLN A 116 -15.669 -1.813 -41.968 1.00 53.21 H new ATOM 0 HG3 GLN A 116 -16.326 -3.419 -41.723 1.00 53.21 H new ATOM 0 HE21 GLN A 116 -16.185 -4.902 -43.329 1.00 3.41 H new ATOM 0 HE22 GLN A 116 -15.664 -4.542 -44.978 1.00 3.41 H new ATOM 1868 N GLN A 117 -19.507 1.250 -43.062 1.00 53.53 N ATOM 1869 CA GLN A 117 -20.852 1.794 -43.211 1.00 1.11 C ATOM 1870 C GLN A 117 -21.574 1.145 -44.387 1.00 51.51 C ATOM 1871 O GLN A 117 -22.802 1.071 -44.409 1.00 14.55 O ATOM 1872 CB GLN A 117 -20.792 3.310 -43.408 1.00 44.34 C ATOM 1873 CG GLN A 117 -21.750 4.078 -42.510 1.00 32.13 C ATOM 1874 CD GLN A 117 -21.196 5.422 -42.081 1.00 1.11 C ATOM 1875 OE1 GLN A 117 -20.638 5.558 -40.992 1.00 2.41 O ATOM 1876 NE2 GLN A 117 -21.346 6.425 -42.938 1.00 11.35 N ATOM 0 H GLN A 117 -18.761 1.941 -43.143 1.00 53.53 H new ATOM 0 HA GLN A 117 -21.409 1.574 -42.300 1.00 1.11 H new ATOM 0 HB2 GLN A 117 -19.775 3.653 -43.218 1.00 44.34 H new ATOM 0 HB3 GLN A 117 -21.017 3.542 -44.449 1.00 44.34 H new ATOM 0 HG2 GLN A 117 -22.693 4.229 -43.036 1.00 32.13 H new ATOM 0 HG3 GLN A 117 -21.970 3.481 -41.625 1.00 32.13 H new ATOM 0 HE21 GLN A 117 -21.815 6.268 -43.830 1.00 11.35 H new ATOM 0 HE22 GLN A 117 -20.992 7.353 -42.704 1.00 11.35 H new ATOM 1885 N ALA A 118 -20.804 0.675 -45.362 1.00 21.13 N ATOM 1886 CA ALA A 118 -21.370 0.031 -46.540 1.00 14.54 C ATOM 1887 C ALA A 118 -21.623 -1.451 -46.287 1.00 21.31 C ATOM 1888 O ALA A 118 -22.696 -1.969 -46.595 1.00 24.14 O ATOM 1889 CB ALA A 118 -20.448 0.215 -47.737 1.00 1.51 C ATOM 0 H ALA A 118 -19.785 0.728 -45.359 1.00 21.13 H new ATOM 0 HA ALA A 118 -22.328 0.504 -46.757 1.00 14.54 H new ATOM 0 HB1 ALA A 118 -20.884 -0.271 -48.610 1.00 1.51 H new ATOM 0 HB2 ALA A 118 -20.322 1.279 -47.939 1.00 1.51 H new ATOM 0 HB3 ALA A 118 -19.477 -0.230 -47.520 1.00 1.51 H new ATOM 1895 N ALA A 119 -20.627 -2.129 -45.725 1.00 31.24 N ATOM 1896 CA ALA A 119 -20.743 -3.552 -45.429 1.00 22.52 C ATOM 1897 C ALA A 119 -21.496 -3.782 -44.124 1.00 53.24 C ATOM 1898 O ALA A 119 -20.899 -4.119 -43.103 1.00 74.54 O ATOM 1899 CB ALA A 119 -19.364 -4.191 -45.365 1.00 20.40 C ATOM 0 H ALA A 119 -19.731 -1.716 -45.466 1.00 31.24 H new ATOM 0 HA ALA A 119 -21.312 -4.020 -46.233 1.00 22.52 H new ATOM 0 HB1 ALA A 119 -19.465 -5.253 -45.143 1.00 20.40 H new ATOM 0 HB2 ALA A 119 -18.861 -4.067 -46.324 1.00 20.40 H new ATOM 0 HB3 ALA A 119 -18.777 -3.711 -44.582 1.00 20.40 H new ATOM 1905 N ALA A 120 -22.812 -3.597 -44.165 1.00 55.13 N ATOM 1906 CA ALA A 120 -23.646 -3.785 -42.984 1.00 43.21 C ATOM 1907 C ALA A 120 -25.078 -4.135 -43.375 1.00 10.32 C ATOM 1908 O ALA A 120 -25.686 -5.036 -42.797 1.00 13.51 O ATOM 1909 CB ALA A 120 -23.624 -2.536 -42.117 1.00 71.24 C ATOM 0 H ALA A 120 -23.323 -3.317 -45.002 1.00 55.13 H new ATOM 0 HA ALA A 120 -23.239 -4.618 -42.411 1.00 43.21 H new ATOM 0 HB1 ALA A 120 -24.251 -2.691 -41.239 1.00 71.24 H new ATOM 0 HB2 ALA A 120 -22.601 -2.331 -41.801 1.00 71.24 H new ATOM 0 HB3 ALA A 120 -24.004 -1.689 -42.689 1.00 71.24 H new ATOM 1915 N ASP A 121 -25.610 -3.418 -44.358 1.00 2.24 N ATOM 1916 CA ASP A 121 -26.972 -3.653 -44.826 1.00 61.54 C ATOM 1917 C ASP A 121 -27.169 -5.116 -45.210 1.00 71.52 C ATOM 1918 O ASP A 121 -27.927 -5.842 -44.566 1.00 32.44 O ATOM 1919 CB ASP A 121 -27.285 -2.751 -46.021 1.00 23.41 C ATOM 1920 CG ASP A 121 -28.373 -1.742 -45.715 1.00 30.24 C ATOM 1921 OD1 ASP A 121 -29.564 -2.113 -45.787 1.00 30.51 O ATOM 1922 OD2 ASP A 121 -28.035 -0.580 -45.404 1.00 62.43 O ATOM 0 H ASP A 121 -25.120 -2.669 -44.847 1.00 2.24 H new ATOM 0 HA ASP A 121 -27.657 -3.415 -44.012 1.00 61.54 H new ATOM 0 HB2 ASP A 121 -26.379 -2.224 -46.322 1.00 23.41 H new ATOM 0 HB3 ASP A 121 -27.592 -3.367 -46.867 1.00 23.41 H new ATOM 1927 N THR A 122 -26.482 -5.543 -46.266 1.00 1.34 N ATOM 1928 CA THR A 122 -26.583 -6.918 -46.738 1.00 51.32 C ATOM 1929 C THR A 122 -25.701 -7.848 -45.914 1.00 42.11 C ATOM 1930 O THR A 122 -24.686 -7.428 -45.360 1.00 0.21 O ATOM 1931 CB THR A 122 -26.187 -7.033 -48.222 1.00 61.24 C ATOM 1932 OG1 THR A 122 -26.449 -8.358 -48.698 1.00 54.54 O ATOM 1933 CG2 THR A 122 -24.715 -6.701 -48.416 1.00 4.24 C ATOM 0 H THR A 122 -25.850 -4.956 -46.810 1.00 1.34 H new ATOM 0 HA THR A 122 -27.625 -7.216 -46.624 1.00 51.32 H new ATOM 0 HB THR A 122 -26.783 -6.319 -48.791 1.00 61.24 H new ATOM 0 HG1 THR A 122 -26.196 -8.422 -49.643 1.00 54.54 H new ATOM 0 HG21 THR A 122 -24.458 -6.789 -49.472 1.00 4.24 H new ATOM 0 HG22 THR A 122 -24.525 -5.682 -48.080 1.00 4.24 H new ATOM 0 HG23 THR A 122 -24.106 -7.394 -47.836 1.00 4.24 H new ATOM 1941 N GLY A 123 -26.094 -9.116 -45.838 1.00 62.34 N ATOM 1942 CA GLY A 123 -25.327 -10.087 -45.080 1.00 63.42 C ATOM 1943 C GLY A 123 -26.190 -10.901 -44.138 1.00 71.21 C ATOM 1944 O GLY A 123 -26.782 -10.361 -43.204 1.00 10.14 O ATOM 0 H GLY A 123 -26.930 -9.488 -46.288 1.00 62.34 H new ATOM 0 HA2 GLY A 123 -24.814 -10.758 -45.769 1.00 63.42 H new ATOM 0 HA3 GLY A 123 -24.557 -9.570 -44.507 1.00 63.42 H new ATOM 1948 N ASN A 124 -26.265 -12.205 -44.383 1.00 63.34 N ATOM 1949 CA ASN A 124 -27.065 -13.096 -43.551 1.00 53.55 C ATOM 1950 C ASN A 124 -26.219 -13.704 -42.435 1.00 33.21 C ATOM 1951 O ASN A 124 -24.991 -13.640 -42.468 1.00 32.33 O ATOM 1952 CB ASN A 124 -27.682 -14.208 -44.401 1.00 74.51 C ATOM 1953 CG ASN A 124 -29.055 -13.838 -44.927 1.00 60.03 C ATOM 1954 OD1 ASN A 124 -29.214 -12.846 -45.638 1.00 13.04 O ATOM 1955 ND2 ASN A 124 -30.056 -14.639 -44.578 1.00 14.11 N ATOM 0 H ASN A 124 -25.781 -12.668 -45.152 1.00 63.34 H new ATOM 0 HA ASN A 124 -27.864 -12.508 -43.099 1.00 53.55 H new ATOM 0 HB2 ASN A 124 -27.022 -14.429 -45.240 1.00 74.51 H new ATOM 0 HB3 ASN A 124 -27.757 -15.118 -43.806 1.00 74.51 H new ATOM 0 HD21 ASN A 124 -31.003 -14.442 -44.902 1.00 14.11 H new ATOM 0 HD22 ASN A 124 -29.877 -15.451 -43.987 1.00 14.11 H new ATOM 1962 N ASN A 125 -26.887 -14.294 -41.448 1.00 74.30 N ATOM 1963 CA ASN A 125 -26.197 -14.913 -40.323 1.00 1.31 C ATOM 1964 C ASN A 125 -25.390 -13.878 -39.543 1.00 43.34 C ATOM 1965 O ASN A 125 -25.452 -12.684 -39.830 1.00 55.32 O ATOM 1966 CB ASN A 125 -25.275 -16.030 -40.815 1.00 62.13 C ATOM 1967 CG ASN A 125 -25.246 -17.216 -39.869 1.00 34.33 C ATOM 1968 OD1 ASN A 125 -24.714 -17.127 -38.763 1.00 72.45 O ATOM 1969 ND2 ASN A 125 -25.820 -18.332 -40.302 1.00 52.12 N ATOM 0 H ASN A 125 -27.904 -14.356 -41.405 1.00 74.30 H new ATOM 0 HA ASN A 125 -26.948 -15.338 -39.658 1.00 1.31 H new ATOM 0 HB2 ASN A 125 -25.605 -16.362 -41.799 1.00 62.13 H new ATOM 0 HB3 ASN A 125 -24.265 -15.638 -40.933 1.00 62.13 H new ATOM 0 HD21 ASN A 125 -25.832 -19.162 -39.710 1.00 52.12 H new ATOM 0 HD22 ASN A 125 -26.249 -18.359 -41.227 1.00 52.12 H new ATOM 1976 N SER A 126 -24.633 -14.348 -38.556 1.00 1.30 N ATOM 1977 CA SER A 126 -23.816 -13.465 -37.733 1.00 14.42 C ATOM 1978 C SER A 126 -24.690 -12.469 -36.974 1.00 61.50 C ATOM 1979 O SER A 126 -25.915 -12.498 -37.076 1.00 25.24 O ATOM 1980 CB SER A 126 -22.804 -12.716 -38.600 1.00 13.14 C ATOM 1981 OG SER A 126 -21.476 -13.073 -38.258 1.00 11.32 O ATOM 0 H SER A 126 -24.569 -15.335 -38.307 1.00 1.30 H new ATOM 0 HA SER A 126 -23.279 -14.077 -37.009 1.00 14.42 H new ATOM 0 HB2 SER A 126 -22.985 -12.940 -39.651 1.00 13.14 H new ATOM 0 HB3 SER A 126 -22.939 -11.642 -38.475 1.00 13.14 H new ATOM 0 HG SER A 126 -20.848 -12.582 -38.828 1.00 11.32 H new ATOM 1987 N GLN A 127 -24.047 -11.588 -36.213 1.00 25.42 N ATOM 1988 CA GLN A 127 -24.764 -10.584 -35.436 1.00 30.43 C ATOM 1989 C GLN A 127 -25.785 -11.238 -34.512 1.00 15.33 C ATOM 1990 O GLN A 127 -26.959 -11.367 -34.859 1.00 34.02 O ATOM 1991 CB GLN A 127 -25.463 -9.592 -36.368 1.00 70.55 C ATOM 1992 CG GLN A 127 -24.509 -8.841 -37.283 1.00 32.53 C ATOM 1993 CD GLN A 127 -24.991 -7.439 -37.604 1.00 64.14 C ATOM 1994 OE1 GLN A 127 -24.591 -6.470 -36.958 1.00 53.01 O ATOM 1995 NE2 GLN A 127 -25.854 -7.325 -38.606 1.00 33.40 N ATOM 0 H GLN A 127 -23.032 -11.550 -36.118 1.00 25.42 H new ATOM 0 HA GLN A 127 -24.039 -10.048 -34.824 1.00 30.43 H new ATOM 0 HB2 GLN A 127 -26.190 -10.129 -36.977 1.00 70.55 H new ATOM 0 HB3 GLN A 127 -26.019 -8.872 -35.768 1.00 70.55 H new ATOM 0 HG2 GLN A 127 -23.528 -8.785 -36.812 1.00 32.53 H new ATOM 0 HG3 GLN A 127 -24.385 -9.400 -38.211 1.00 32.53 H new ATOM 0 HE21 GLN A 127 -26.158 -8.156 -39.114 1.00 33.40 H new ATOM 0 HE22 GLN A 127 -26.213 -6.407 -38.868 1.00 33.40 H new ATOM 2004 N VAL A 128 -25.330 -11.648 -33.332 1.00 33.11 N ATOM 2005 CA VAL A 128 -26.204 -12.288 -32.356 1.00 21.11 C ATOM 2006 C VAL A 128 -26.409 -11.398 -31.135 1.00 60.40 C ATOM 2007 O VAL A 128 -25.512 -10.654 -30.739 1.00 42.04 O ATOM 2008 CB VAL A 128 -25.638 -13.645 -31.900 1.00 70.12 C ATOM 2009 CG1 VAL A 128 -25.633 -14.637 -33.053 1.00 11.12 C ATOM 2010 CG2 VAL A 128 -24.238 -13.472 -31.329 1.00 51.40 C ATOM 0 H VAL A 128 -24.361 -11.548 -33.029 1.00 33.11 H new ATOM 0 HA VAL A 128 -27.163 -12.450 -32.848 1.00 21.11 H new ATOM 0 HB VAL A 128 -26.281 -14.042 -31.114 1.00 70.12 H new ATOM 0 HG11 VAL A 128 -25.230 -15.590 -32.711 1.00 11.12 H new ATOM 0 HG12 VAL A 128 -26.652 -14.782 -33.412 1.00 11.12 H new ATOM 0 HG13 VAL A 128 -25.014 -14.251 -33.863 1.00 11.12 H new ATOM 0 HG21 VAL A 128 -23.852 -14.441 -31.011 1.00 51.40 H new ATOM 0 HG22 VAL A 128 -23.583 -13.053 -32.093 1.00 51.40 H new ATOM 0 HG23 VAL A 128 -24.275 -12.798 -30.473 1.00 51.40 H new ATOM 2020 N SER A 129 -27.596 -11.479 -30.543 1.00 2.02 N ATOM 2021 CA SER A 129 -27.920 -10.679 -29.368 1.00 44.01 C ATOM 2022 C SER A 129 -28.743 -11.488 -28.370 1.00 75.05 C ATOM 2023 O SER A 129 -29.114 -12.631 -28.637 1.00 31.44 O ATOM 2024 CB SER A 129 -28.688 -9.421 -29.777 1.00 23.31 C ATOM 2025 OG SER A 129 -27.815 -8.313 -29.916 1.00 33.34 O ATOM 0 H SER A 129 -28.349 -12.090 -30.858 1.00 2.02 H new ATOM 0 HA SER A 129 -26.985 -10.386 -28.890 1.00 44.01 H new ATOM 0 HB2 SER A 129 -29.208 -9.599 -30.718 1.00 23.31 H new ATOM 0 HB3 SER A 129 -29.449 -9.197 -29.030 1.00 23.31 H new ATOM 0 HG SER A 129 -28.330 -7.522 -30.180 1.00 33.34 H new ATOM 2031 N GLN A 130 -29.024 -10.886 -27.218 1.00 4.33 N ATOM 2032 CA GLN A 130 -29.802 -11.550 -26.180 1.00 41.15 C ATOM 2033 C GLN A 130 -29.150 -12.866 -25.768 1.00 21.32 C ATOM 2034 O GLN A 130 -29.485 -13.926 -26.293 1.00 24.21 O ATOM 2035 CB GLN A 130 -31.230 -11.806 -26.666 1.00 34.25 C ATOM 2036 CG GLN A 130 -32.152 -12.351 -25.588 1.00 1.14 C ATOM 2037 CD GLN A 130 -33.302 -13.158 -26.158 1.00 4.21 C ATOM 2038 OE1 GLN A 130 -33.168 -13.801 -27.200 1.00 42.52 O ATOM 2039 NE2 GLN A 130 -34.441 -13.130 -25.476 1.00 43.02 N ATOM 0 H GLN A 130 -28.724 -9.940 -26.981 1.00 4.33 H new ATOM 0 HA GLN A 130 -29.834 -10.893 -25.311 1.00 41.15 H new ATOM 0 HB2 GLN A 130 -31.646 -10.875 -27.051 1.00 34.25 H new ATOM 0 HB3 GLN A 130 -31.201 -12.510 -27.497 1.00 34.25 H new ATOM 0 HG2 GLN A 130 -31.577 -12.977 -24.906 1.00 1.14 H new ATOM 0 HG3 GLN A 130 -32.550 -11.522 -25.002 1.00 1.14 H new ATOM 0 HE21 GLN A 130 -34.508 -12.584 -24.617 1.00 43.02 H new ATOM 0 HE22 GLN A 130 -35.249 -13.655 -25.811 1.00 43.02 H new ATOM 2048 N ASN A 131 -28.216 -12.788 -24.826 1.00 70.02 N ATOM 2049 CA ASN A 131 -27.515 -13.973 -24.344 1.00 31.24 C ATOM 2050 C ASN A 131 -27.902 -14.286 -22.902 1.00 53.20 C ATOM 2051 O ASN A 131 -28.553 -13.481 -22.235 1.00 43.10 O ATOM 2052 CB ASN A 131 -26.002 -13.773 -24.446 1.00 51.01 C ATOM 2053 CG ASN A 131 -25.487 -12.744 -23.458 1.00 3.12 C ATOM 2054 OD1 ASN A 131 -24.894 -13.091 -22.436 1.00 11.32 O ATOM 2055 ND2 ASN A 131 -25.712 -11.471 -23.760 1.00 31.30 N ATOM 0 H ASN A 131 -27.927 -11.917 -24.381 1.00 70.02 H new ATOM 0 HA ASN A 131 -27.806 -14.816 -24.970 1.00 31.24 H new ATOM 0 HB2 ASN A 131 -25.500 -14.724 -24.270 1.00 51.01 H new ATOM 0 HB3 ASN A 131 -25.747 -13.460 -25.458 1.00 51.01 H new ATOM 0 HD21 ASN A 131 -25.389 -10.734 -23.134 1.00 31.30 H new ATOM 0 HD22 ASN A 131 -26.208 -11.230 -24.618 1.00 31.30 H new ATOM 2062 N TYR A 132 -27.497 -15.458 -22.428 1.00 44.25 N ATOM 2063 CA TYR A 132 -27.803 -15.878 -21.065 1.00 64.01 C ATOM 2064 C TYR A 132 -26.544 -16.351 -20.346 1.00 63.21 C ATOM 2065 O TYR A 132 -26.647 -17.121 -19.392 1.00 52.43 O ATOM 2066 CB TYR A 132 -28.848 -16.995 -21.076 1.00 53.40 C ATOM 2067 CG TYR A 132 -29.629 -17.106 -19.786 1.00 52.02 C ATOM 2068 CD1 TYR A 132 -30.302 -16.008 -19.262 1.00 22.41 C ATOM 2069 CD2 TYR A 132 -29.694 -18.307 -19.091 1.00 14.00 C ATOM 2070 CE1 TYR A 132 -31.016 -16.104 -18.084 1.00 71.03 C ATOM 2071 CE2 TYR A 132 -30.407 -18.412 -17.912 1.00 4.05 C ATOM 2072 CZ TYR A 132 -31.066 -17.308 -17.412 1.00 5.32 C ATOM 2073 OH TYR A 132 -31.776 -17.409 -16.238 1.00 32.12 O ATOM 0 H TYR A 132 -26.956 -16.135 -22.967 1.00 44.25 H new ATOM 0 HA TYR A 132 -28.205 -15.019 -20.528 1.00 64.01 H new ATOM 0 HB2 TYR A 132 -29.543 -16.823 -21.898 1.00 53.40 H new ATOM 0 HB3 TYR A 132 -28.350 -17.945 -21.273 1.00 53.40 H new ATOM 0 HD1 TYR A 132 -30.266 -15.064 -19.785 1.00 22.41 H new ATOM 0 HD2 TYR A 132 -29.179 -19.173 -19.479 1.00 14.00 H new ATOM 0 HE1 TYR A 132 -31.533 -15.241 -17.691 1.00 71.03 H new ATOM 0 HE2 TYR A 132 -30.448 -19.354 -17.385 1.00 4.05 H new ATOM 0 HH TYR A 132 -31.710 -18.324 -15.894 1.00 32.12 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 6.435 3.544 -17.019 1.00 71.35 C HETATM 2085 O1 MYR A 1 6.761 2.768 -17.916 1.00 10.14 O HETATM 2086 C2 MYR A 1 7.070 4.936 -16.996 1.00 42.34 C HETATM 2087 C3 MYR A 1 7.280 5.570 -18.390 1.00 24.04 C HETATM 2088 C4 MYR A 1 6.000 6.244 -18.919 1.00 4.41 C HETATM 2089 C5 MYR A 1 5.636 7.508 -18.117 1.00 42.00 C HETATM 2090 C6 MYR A 1 5.849 8.796 -18.933 1.00 32.12 C HETATM 2091 C7 MYR A 1 5.418 10.055 -18.157 1.00 43.11 C HETATM 2092 C8 MYR A 1 6.445 10.457 -17.082 1.00 74.22 C HETATM 2093 C9 MYR A 1 6.813 11.951 -17.158 1.00 71.23 C HETATM 2094 C10 MYR A 1 8.161 12.185 -17.872 1.00 1.41 C HETATM 2095 C11 MYR A 1 8.103 13.219 -19.015 1.00 32.24 C HETATM 2096 C12 MYR A 1 9.422 13.369 -19.803 1.00 11.34 C HETATM 2097 C13 MYR A 1 9.337 12.742 -21.206 1.00 33.10 C HETATM 2098 C14 MYR A 1 10.598 13.024 -22.034 1.00 14.12 C HETATM 0 H143 MYR A 1 10.725 14.101 -22.148 1.00 14.12 H new HETATM 0 H142 MYR A 1 11.468 12.608 -21.526 1.00 14.12 H new HETATM 0 H141 MYR A 1 10.498 12.564 -23.017 1.00 14.12 H new HETATM 0 H132 MYR A 1 9.195 11.665 -21.115 1.00 33.10 H new HETATM 0 H131 MYR A 1 8.464 13.135 -21.728 1.00 33.10 H new HETATM 0 H122 MYR A 1 9.670 14.426 -19.894 1.00 11.34 H new HETATM 0 H121 MYR A 1 10.232 12.898 -19.245 1.00 11.34 H new HETATM 0 H112 MYR A 1 7.310 12.934 -19.707 1.00 32.24 H new HETATM 0 H111 MYR A 1 7.830 14.189 -18.599 1.00 32.24 H new HETATM 0 H102 MYR A 1 8.896 12.514 -17.137 1.00 1.41 H new HETATM 0 H101 MYR A 1 8.515 11.236 -18.274 1.00 1.41 H new HETATM 0 H92 MYR A 1 6.026 12.491 -17.685 1.00 71.23 H new HETATM 0 H91 MYR A 1 6.862 12.363 -16.150 1.00 71.23 H new HETATM 0 H82 MYR A 1 6.041 10.234 -16.095 1.00 74.22 H new HETATM 0 H81 MYR A 1 7.347 9.856 -17.201 1.00 74.22 H new HETATM 0 H72 MYR A 1 5.283 10.881 -18.855 1.00 43.11 H new HETATM 0 H71 MYR A 1 4.452 9.876 -17.685 1.00 43.11 H new HETATM 0 H62 MYR A 1 6.901 8.882 -19.205 1.00 32.12 H new HETATM 0 H61 MYR A 1 5.283 8.733 -19.863 1.00 32.12 H new HETATM 0 H52 MYR A 1 4.595 7.448 -17.801 1.00 42.00 H new HETATM 0 H51 MYR A 1 6.242 7.549 -17.212 1.00 42.00 H new HETATM 0 H42 MYR A 1 6.137 6.508 -19.968 1.00 4.41 H new HETATM 0 H41 MYR A 1 5.173 5.536 -18.874 1.00 4.41 H new HETATM 0 H32 MYR A 1 8.081 6.307 -18.336 1.00 24.04 H new HETATM 0 H31 MYR A 1 7.601 4.801 -19.093 1.00 24.04 H new HETATM 0 H22 MYR A 1 6.441 5.598 -16.401 1.00 42.34 H new HETATM 0 H21 MYR A 1 8.034 4.873 -16.491 1.00 42.34 H new HETATM 2126 P1 PBU A 300 -6.727 -22.589 -14.138 1.00 61.15 P HETATM 2127 P4 PBU A 300 -15.183 -20.644 -15.226 1.00 34.04 P HETATM 2128 P5 PBU A 300 -12.286 -20.172 -18.855 1.00 31.33 P HETATM 2129 C3' PBU A 300 -5.444 -21.992 -16.212 1.00 54.44 C HETATM 2130 C2' PBU A 300 -4.955 -20.563 -15.867 1.00 11.54 C HETATM 2131 O2' PBU A 300 -4.685 -19.876 -17.078 1.00 55.14 O HETATM 2132 C1' PBU A 300 -3.673 -20.582 -15.000 1.00 3.23 C HETATM 2133 O1' PBU A 300 -2.868 -21.677 -15.386 1.00 33.14 O HETATM 2134 C1 PBU A 300 -9.363 -21.580 -14.934 1.00 24.52 C HETATM 2135 O1 PBU A 300 -8.078 -22.403 -15.102 1.00 11.34 O HETATM 2136 C2 PBU A 300 -10.245 -21.956 -13.696 1.00 52.15 C HETATM 2137 O2 PBU A 300 -10.614 -23.331 -13.668 1.00 61.34 O HETATM 2138 C3 PBU A 300 -11.525 -21.091 -13.658 1.00 54.32 C HETATM 2139 O3 PBU A 300 -12.288 -21.487 -12.508 1.00 63.22 O HETATM 2140 C4 PBU A 300 -12.353 -21.233 -14.993 1.00 52.21 C HETATM 2141 O4 PBU A 300 -13.573 -20.331 -14.930 1.00 21.12 O HETATM 2142 C5 PBU A 300 -11.425 -20.838 -16.210 1.00 43.04 C HETATM 2143 O5 PBU A 300 -12.175 -21.030 -17.452 1.00 2.43 O HETATM 2144 C6 PBU A 300 -10.129 -21.685 -16.267 1.00 62.15 C HETATM 2145 O6 PBU A 300 -9.236 -21.246 -17.302 1.00 3.42 O HETATM 2146 C7 PBU A 300 -5.768 -19.223 -17.715 1.00 35.34 C HETATM 2147 O7 PBU A 300 -6.197 -19.634 -18.770 1.00 14.12 O HETATM 2148 C8 PBU A 300 -6.414 -17.993 -17.054 1.00 52.13 C HETATM 2149 C9 PBU A 300 -6.758 -16.935 -18.119 1.00 73.03 C HETATM 2150 C10 PBU A 300 -7.644 -15.844 -17.489 1.00 73.25 C HETATM 2151 C11 PBU A 300 -1.845 -22.180 -14.556 1.00 11.55 C HETATM 2152 O11 PBU A 300 -1.593 -21.762 -13.443 1.00 41.42 O HETATM 2153 C12 PBU A 300 -0.978 -23.308 -15.179 1.00 44.05 C HETATM 2154 C13 PBU A 300 -0.667 -24.453 -14.200 1.00 52.20 C HETATM 2155 C14 PBU A 300 -1.856 -25.424 -14.085 1.00 43.24 C HETATM 2156 O41 PBU A 300 -15.792 -19.488 -14.436 1.00 54.14 O HETATM 2157 O42 PBU A 300 -15.346 -20.536 -16.718 1.00 11.30 O HETATM 2158 O43 PBU A 300 -15.539 -22.036 -14.732 1.00 60.51 O HETATM 2159 O51 PBU A 300 -13.375 -20.950 -19.567 1.00 53.44 O HETATM 2160 O52 PBU A 300 -12.619 -18.767 -18.382 1.00 32.25 O HETATM 2161 O53 PBU A 300 -10.912 -20.328 -19.465 1.00 64.15 O HETATM 2162 OP1 PBU A 300 -5.557 -22.793 -15.054 1.00 65.34 O HETATM 2163 OP2 PBU A 300 -6.677 -21.273 -13.358 1.00 1.20 O HETATM 2164 OP3 PBU A 300 -7.006 -23.845 -13.353 1.00 21.32 O HETATM 0 H3'2 PBU A 300 -6.410 -21.936 -16.713 1.00 54.44 H new HETATM 0 H3'1 PBU A 300 -4.749 -22.457 -16.911 1.00 54.44 H new HETATM 0 H143 PBU A 300 -2.732 -24.885 -13.723 1.00 43.24 H new HETATM 0 H142 PBU A 300 -2.072 -25.852 -15.064 1.00 43.24 H new HETATM 0 H141 PBU A 300 -1.607 -26.223 -13.386 1.00 43.24 H new HETATM 0 H132 PBU A 300 0.217 -24.994 -14.538 1.00 52.20 H new HETATM 0 H131 PBU A 300 -0.433 -24.042 -13.218 1.00 52.20 H new HETATM 0 H122 PBU A 300 -1.494 -23.714 -16.049 1.00 44.05 H new HETATM 0 H121 PBU A 300 -0.041 -22.880 -15.536 1.00 44.05 H new HETATM 0 H1'2 PBU A 300 -3.123 -19.649 -15.123 1.00 3.23 H new HETATM 0 H1'1 PBU A 300 -3.934 -20.661 -13.945 1.00 3.23 H new HETATM 0 H92 PBU A 300 -5.844 -16.493 -18.516 1.00 73.03 H new HETATM 0 H91 PBU A 300 -7.277 -17.401 -18.957 1.00 73.03 H new HETATM 0 H82 PBU A 300 -7.317 -18.290 -16.521 1.00 52.13 H new HETATM 0 H81 PBU A 300 -5.734 -17.568 -16.316 1.00 52.13 H new HETATM 0 H6 PBU A 300 -10.443 -22.709 -16.468 1.00 62.15 H new HETATM 0 H5 PBU A 300 -11.130 -19.797 -16.080 1.00 43.04 H new HETATM 0 H4 PBU A 300 -12.693 -22.261 -15.123 1.00 52.21 H new HETATM 0 H3 PBU A 300 -11.265 -20.035 -13.578 1.00 54.32 H new HETATM 0 H2' PBU A 300 -5.736 -20.063 -15.294 1.00 11.54 H new HETATM 0 H2 PBU A 300 -9.629 -21.761 -12.818 1.00 52.15 H new HETATM 0 H13 PBU A 300 -8.563 -16.294 -17.113 1.00 73.25 H new HETATM 0 H12 PBU A 300 -7.109 -15.371 -16.666 1.00 73.25 H new HETATM 0 H11 PBU A 300 -7.888 -15.094 -18.242 1.00 73.25 H new HETATM 0 H1 PBU A 300 -9.090 -20.549 -14.709 1.00 24.52 H new HETATM 0 H06 PBU A 300 -9.756 -20.919 -18.066 1.00 3.42 H new HETATM 0 H03 PBU A 300 -13.107 -20.952 -12.459 1.00 63.22 H new HETATM 0 H02 PBU A 300 -11.464 -23.432 -13.191 1.00 61.34 H new