USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 GLN : amide:sc= -0.998 K(o=-1,f=-3.4!) USER MOD Set 1.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= -0.22 (180deg=-1.75!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 55:sc= 0.614 USER MOD Single : A 14 MET CE :methyl -157:sc= -0.0423 (180deg=-1.09) USER MOD Single : A 16 CYS SG : rot 20:sc= -0.695 USER MOD Single : A 19 TYR OH : rot 180:sc= -3.61! USER MOD Single : A 21 SER OG : rot -12:sc= 1.93 USER MOD Single : A 22 SER OG : rot 180:sc= -1.38! USER MOD Single : A 23 LYS NZ :NH3+ 140:sc= -0.286 (180deg=-2.02!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00498 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -0.11 (180deg=-0.727) USER MOD Single : A 38 SER OG : rot 14:sc= 0.541! USER MOD Single : A 45 MET CE :methyl 162:sc= -5.69! (180deg=-6.13!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.421 F(o=-1.4,f=-0.42) USER MOD Single : A 52 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.7!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.35) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -9.72! C(o=-9.7!,f=-19!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.435 X(o=-0.43,f=-0.029) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -7.09! C(o=-7.7!,f=-7.1!) USER MOD Single : A 95 LYS NZ :NH3+ -144:sc= -0.498 (180deg=-1.91) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 97 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.13) USER MOD Single : A 99 SER OG : rot 180:sc= -0.23 USER MOD Single : A 101 MET CE :methyl -162:sc= -0.017 (180deg=-0.604) USER MOD Single : A 104 LYS NZ :NH3+ 162:sc= 0.0279 (180deg=0.000335) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 109 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.12) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.963 -2.861 -19.035 1.00 63.04 N ATOM 2 CA GLY A 1 0.136 -4.088 -19.222 1.00 33.32 C ATOM 3 C GLY A 1 1.029 -5.240 -19.681 1.00 55.14 C ATOM 4 O GLY A 1 0.728 -5.930 -20.634 1.00 12.21 O ATOM 0 H1 GLY A 1 0.355 -2.077 -18.723 1.00 63.04 H new ATOM 0 H2 GLY A 1 1.693 -3.041 -18.316 1.00 63.04 H new ATOM 0 H3 GLY A 1 1.418 -2.609 -19.935 1.00 63.04 H new ATOM 0 HA2 GLY A 1 -0.362 -4.350 -18.288 1.00 33.32 H new ATOM 0 HA3 GLY A 1 -0.646 -3.904 -19.959 1.00 33.32 H new ATOM 8 N SER A 2 2.132 -5.453 -19.010 1.00 15.24 N ATOM 9 CA SER A 2 3.043 -6.560 -19.414 1.00 23.40 C ATOM 10 C SER A 2 3.341 -7.473 -18.219 1.00 41.04 C ATOM 11 O SER A 2 3.917 -8.532 -18.374 1.00 2.03 O ATOM 12 CB SER A 2 4.318 -5.868 -19.892 1.00 33.24 C ATOM 13 OG SER A 2 4.389 -5.940 -21.310 1.00 44.21 O ATOM 0 H SER A 2 2.438 -4.909 -18.203 1.00 15.24 H new ATOM 0 HA SER A 2 2.605 -7.190 -20.188 1.00 23.40 H new ATOM 0 HB2 SER A 2 4.323 -4.827 -19.569 1.00 33.24 H new ATOM 0 HB3 SER A 2 5.192 -6.344 -19.448 1.00 33.24 H new ATOM 0 HG SER A 2 5.205 -5.495 -21.620 1.00 44.21 H new ATOM 19 N MET A 3 2.945 -7.070 -17.035 1.00 13.14 N ATOM 20 CA MET A 3 3.194 -7.902 -15.812 1.00 71.21 C ATOM 21 C MET A 3 4.508 -8.682 -15.937 1.00 4.12 C ATOM 22 O MET A 3 4.521 -9.807 -16.394 1.00 3.41 O ATOM 23 CB MET A 3 2.004 -8.864 -15.728 1.00 32.32 C ATOM 24 CG MET A 3 1.733 -9.472 -17.105 1.00 2.23 C ATOM 25 SD MET A 3 0.444 -10.736 -16.970 1.00 1.13 S ATOM 26 CE MET A 3 0.341 -11.138 -18.732 1.00 54.21 C ATOM 0 H MET A 3 2.455 -6.192 -16.861 1.00 13.14 H new ATOM 0 HA MET A 3 3.285 -7.285 -14.918 1.00 71.21 H new ATOM 0 HB2 MET A 3 2.213 -9.654 -15.006 1.00 32.32 H new ATOM 0 HB3 MET A 3 1.120 -8.334 -15.374 1.00 32.32 H new ATOM 0 HG2 MET A 3 1.421 -8.694 -17.802 1.00 2.23 H new ATOM 0 HG3 MET A 3 2.647 -9.912 -17.505 1.00 2.23 H new ATOM 0 HE1 MET A 3 -0.410 -11.913 -18.885 1.00 54.21 H new ATOM 0 HE2 MET A 3 0.061 -10.246 -19.293 1.00 54.21 H new ATOM 0 HE3 MET A 3 1.309 -11.497 -19.081 1.00 54.21 H new ATOM 36 N PRO A 4 5.574 -8.048 -15.528 1.00 74.01 N ATOM 37 CA PRO A 4 6.911 -8.686 -15.596 1.00 65.51 C ATOM 38 C PRO A 4 7.054 -9.753 -14.510 1.00 53.23 C ATOM 39 O PRO A 4 6.196 -9.917 -13.667 1.00 21.41 O ATOM 40 CB PRO A 4 7.871 -7.527 -15.350 1.00 33.05 C ATOM 41 CG PRO A 4 7.081 -6.519 -14.578 1.00 62.23 C ATOM 42 CD PRO A 4 5.634 -6.694 -14.969 1.00 60.05 C ATOM 0 HA PRO A 4 7.095 -9.194 -16.543 1.00 65.51 H new ATOM 0 HB2 PRO A 4 8.747 -7.854 -14.789 1.00 33.05 H new ATOM 0 HB3 PRO A 4 8.232 -7.109 -16.290 1.00 33.05 H new ATOM 0 HG2 PRO A 4 7.211 -6.667 -13.506 1.00 62.23 H new ATOM 0 HG3 PRO A 4 7.421 -5.508 -14.804 1.00 62.23 H new ATOM 0 HD2 PRO A 4 4.973 -6.589 -14.108 1.00 60.05 H new ATOM 0 HD3 PRO A 4 5.326 -5.947 -15.701 1.00 60.05 H new ATOM 50 N LYS A 5 8.139 -10.481 -14.523 1.00 75.43 N ATOM 51 CA LYS A 5 8.345 -11.538 -13.495 1.00 74.23 C ATOM 52 C LYS A 5 9.702 -12.218 -13.707 1.00 12.13 C ATOM 53 O LYS A 5 9.994 -12.693 -14.787 1.00 5.31 O ATOM 54 CB LYS A 5 7.208 -12.536 -13.715 1.00 64.14 C ATOM 55 CG LYS A 5 7.279 -13.637 -12.651 1.00 23.51 C ATOM 56 CD LYS A 5 6.057 -13.544 -11.736 1.00 62.43 C ATOM 57 CE LYS A 5 6.387 -14.170 -10.378 1.00 61.15 C ATOM 58 NZ LYS A 5 6.660 -15.605 -10.671 1.00 3.15 N ATOM 0 H LYS A 5 8.893 -10.387 -15.204 1.00 75.43 H new ATOM 0 HA LYS A 5 8.342 -11.135 -12.482 1.00 74.23 H new ATOM 0 HB2 LYS A 5 6.247 -12.025 -13.661 1.00 64.14 H new ATOM 0 HB3 LYS A 5 7.281 -12.973 -14.711 1.00 64.14 H new ATOM 0 HG2 LYS A 5 7.315 -14.616 -13.128 1.00 23.51 H new ATOM 0 HG3 LYS A 5 8.193 -13.533 -12.066 1.00 23.51 H new ATOM 0 HD2 LYS A 5 5.765 -12.502 -11.607 1.00 62.43 H new ATOM 0 HD3 LYS A 5 5.210 -14.059 -12.189 1.00 62.43 H new ATOM 0 HE2 LYS A 5 7.252 -13.689 -9.921 1.00 61.15 H new ATOM 0 HE3 LYS A 5 5.556 -14.061 -9.681 1.00 61.15 H new ATOM 0 HZ1 LYS A 5 6.429 -16.180 -9.836 1.00 3.15 H new ATOM 0 HZ2 LYS A 5 6.076 -15.912 -11.475 1.00 3.15 H new ATOM 0 HZ3 LYS A 5 7.666 -15.726 -10.907 1.00 3.15 H new ATOM 72 N PRO A 6 10.492 -12.239 -12.667 1.00 14.32 N ATOM 73 CA PRO A 6 11.834 -12.865 -12.743 1.00 1.25 C ATOM 74 C PRO A 6 11.710 -14.390 -12.764 1.00 43.15 C ATOM 75 O PRO A 6 10.643 -14.938 -12.565 1.00 20.13 O ATOM 76 CB PRO A 6 12.524 -12.393 -11.467 1.00 11.30 C ATOM 77 CG PRO A 6 11.414 -12.088 -10.512 1.00 4.32 C ATOM 78 CD PRO A 6 10.215 -11.687 -11.336 1.00 22.22 C ATOM 0 HA PRO A 6 12.384 -12.592 -13.644 1.00 1.25 H new ATOM 0 HB2 PRO A 6 13.186 -13.162 -11.069 1.00 11.30 H new ATOM 0 HB3 PRO A 6 13.137 -11.511 -11.654 1.00 11.30 H new ATOM 0 HG2 PRO A 6 11.185 -12.959 -9.897 1.00 4.32 H new ATOM 0 HG3 PRO A 6 11.700 -11.285 -9.833 1.00 4.32 H new ATOM 0 HD2 PRO A 6 9.293 -12.093 -10.921 1.00 22.22 H new ATOM 0 HD3 PRO A 6 10.100 -10.604 -11.370 1.00 22.22 H new ATOM 86 N GLY A 7 12.791 -15.080 -13.004 1.00 12.20 N ATOM 87 CA GLY A 7 12.732 -16.568 -13.036 1.00 22.51 C ATOM 88 C GLY A 7 12.801 -17.111 -11.609 1.00 45.15 C ATOM 89 O GLY A 7 13.564 -16.637 -10.792 1.00 31.32 O ATOM 0 H GLY A 7 13.712 -14.678 -13.179 1.00 12.20 H new ATOM 0 HA2 GLY A 7 11.811 -16.896 -13.517 1.00 22.51 H new ATOM 0 HA3 GLY A 7 13.558 -16.963 -13.627 1.00 22.51 H new ATOM 93 N ILE A 8 12.008 -18.100 -11.299 1.00 75.14 N ATOM 94 CA ILE A 8 12.033 -18.667 -9.921 1.00 64.51 C ATOM 95 C ILE A 8 11.775 -20.177 -9.966 1.00 10.42 C ATOM 96 O ILE A 8 10.677 -20.620 -10.238 1.00 0.41 O ATOM 97 CB ILE A 8 10.904 -17.952 -9.179 1.00 4.14 C ATOM 98 CG1 ILE A 8 11.264 -16.474 -9.010 1.00 53.31 C ATOM 99 CG2 ILE A 8 10.709 -18.587 -7.802 1.00 71.52 C ATOM 100 CD1 ILE A 8 12.475 -16.346 -8.083 1.00 50.43 C ATOM 0 H ILE A 8 11.346 -18.539 -11.938 1.00 75.14 H new ATOM 0 HA ILE A 8 12.997 -18.524 -9.432 1.00 64.51 H new ATOM 0 HB ILE A 8 9.981 -18.042 -9.752 1.00 4.14 H new ATOM 0 HG12 ILE A 8 11.487 -16.030 -9.980 1.00 53.31 H new ATOM 0 HG13 ILE A 8 10.417 -15.927 -8.596 1.00 53.31 H new ATOM 0 HG21 ILE A 8 9.903 -18.075 -7.276 1.00 71.52 H new ATOM 0 HG22 ILE A 8 10.453 -19.640 -7.920 1.00 71.52 H new ATOM 0 HG23 ILE A 8 11.631 -18.500 -7.227 1.00 71.52 H new ATOM 0 HD11 ILE A 8 12.731 -15.293 -7.963 1.00 50.43 H new ATOM 0 HD12 ILE A 8 12.235 -16.775 -7.110 1.00 50.43 H new ATOM 0 HD13 ILE A 8 13.322 -16.879 -8.515 1.00 50.43 H new ATOM 112 N LEU A 9 12.780 -20.969 -9.709 1.00 4.34 N ATOM 113 CA LEU A 9 12.588 -22.447 -9.742 1.00 75.32 C ATOM 114 C LEU A 9 13.438 -23.116 -8.660 1.00 5.10 C ATOM 115 O LEU A 9 14.641 -23.243 -8.790 1.00 3.43 O ATOM 116 CB LEU A 9 13.056 -22.875 -11.134 1.00 44.12 C ATOM 117 CG LEU A 9 12.244 -24.086 -11.594 1.00 4.21 C ATOM 118 CD1 LEU A 9 10.826 -23.643 -11.956 1.00 4.40 C ATOM 119 CD2 LEU A 9 12.910 -24.709 -12.823 1.00 45.31 C ATOM 0 H LEU A 9 13.724 -20.658 -9.478 1.00 4.34 H new ATOM 0 HA LEU A 9 11.553 -22.734 -9.553 1.00 75.32 H new ATOM 0 HB2 LEU A 9 12.934 -22.053 -11.839 1.00 44.12 H new ATOM 0 HB3 LEU A 9 14.117 -23.122 -11.113 1.00 44.12 H new ATOM 0 HG LEU A 9 12.202 -24.820 -10.790 1.00 4.21 H new ATOM 0 HD11 LEU A 9 10.248 -24.507 -12.284 1.00 4.40 H new ATOM 0 HD12 LEU A 9 10.350 -23.198 -11.082 1.00 4.40 H new ATOM 0 HD13 LEU A 9 10.868 -22.908 -12.760 1.00 4.40 H new ATOM 0 HD21 LEU A 9 12.332 -25.573 -13.152 1.00 45.31 H new ATOM 0 HD22 LEU A 9 12.952 -23.973 -13.626 1.00 45.31 H new ATOM 0 HD23 LEU A 9 13.921 -25.025 -12.568 1.00 45.31 H new ATOM 131 N LYS A 10 12.826 -23.545 -7.593 1.00 75.51 N ATOM 132 CA LYS A 10 13.594 -24.207 -6.501 1.00 41.22 C ATOM 133 C LYS A 10 13.029 -25.605 -6.232 1.00 54.21 C ATOM 134 O LYS A 10 13.243 -26.183 -5.185 1.00 14.21 O ATOM 135 CB LYS A 10 13.400 -23.310 -5.277 1.00 2.11 C ATOM 136 CG LYS A 10 14.597 -22.373 -5.130 1.00 20.40 C ATOM 137 CD LYS A 10 14.635 -21.816 -3.707 1.00 31.14 C ATOM 138 CE LYS A 10 13.823 -20.522 -3.643 1.00 25.11 C ATOM 139 NZ LYS A 10 14.779 -19.493 -3.146 1.00 73.31 N ATOM 0 H LYS A 10 11.822 -23.466 -7.429 1.00 75.51 H new ATOM 0 HA LYS A 10 14.647 -24.330 -6.754 1.00 41.22 H new ATOM 0 HB2 LYS A 10 12.483 -22.730 -5.381 1.00 2.11 H new ATOM 0 HB3 LYS A 10 13.292 -23.920 -4.380 1.00 2.11 H new ATOM 0 HG2 LYS A 10 15.521 -22.909 -5.347 1.00 20.40 H new ATOM 0 HG3 LYS A 10 14.525 -21.557 -5.850 1.00 20.40 H new ATOM 0 HD2 LYS A 10 14.229 -22.547 -3.008 1.00 31.14 H new ATOM 0 HD3 LYS A 10 15.666 -21.626 -3.407 1.00 31.14 H new ATOM 0 HE2 LYS A 10 13.429 -20.254 -4.623 1.00 25.11 H new ATOM 0 HE3 LYS A 10 12.969 -20.624 -2.973 1.00 25.11 H new ATOM 0 HZ1 LYS A 10 14.295 -18.575 -3.075 1.00 73.31 H new ATOM 0 HZ2 LYS A 10 15.132 -19.772 -2.208 1.00 73.31 H new ATOM 0 HZ3 LYS A 10 15.578 -19.413 -3.807 1.00 73.31 H new ATOM 153 N SER A 11 12.304 -26.150 -7.170 1.00 25.03 N ATOM 154 CA SER A 11 11.721 -27.506 -6.966 1.00 54.22 C ATOM 155 C SER A 11 10.708 -27.472 -5.818 1.00 52.01 C ATOM 156 O SER A 11 10.996 -27.885 -4.713 1.00 41.03 O ATOM 157 CB SER A 11 12.908 -28.398 -6.609 1.00 13.05 C ATOM 158 OG SER A 11 12.690 -29.702 -7.133 1.00 1.42 O ATOM 0 H SER A 11 12.090 -25.716 -8.068 1.00 25.03 H new ATOM 0 HA SER A 11 11.193 -27.869 -7.848 1.00 54.22 H new ATOM 0 HB2 SER A 11 13.828 -27.979 -7.016 1.00 13.05 H new ATOM 0 HB3 SER A 11 13.031 -28.444 -5.527 1.00 13.05 H new ATOM 0 HG SER A 11 13.451 -30.277 -6.907 1.00 1.42 H new ATOM 164 N LYS A 12 9.526 -26.980 -6.073 1.00 22.21 N ATOM 165 CA LYS A 12 8.500 -26.917 -4.993 1.00 73.13 C ATOM 166 C LYS A 12 7.146 -27.407 -5.515 1.00 5.20 C ATOM 167 O LYS A 12 6.110 -27.098 -4.961 1.00 31.14 O ATOM 168 CB LYS A 12 8.424 -25.441 -4.605 1.00 62.33 C ATOM 169 CG LYS A 12 9.279 -25.198 -3.357 1.00 3.22 C ATOM 170 CD LYS A 12 8.564 -25.767 -2.130 1.00 1.24 C ATOM 171 CE LYS A 12 7.990 -24.620 -1.298 1.00 70.20 C ATOM 172 NZ LYS A 12 7.756 -25.207 0.050 1.00 4.22 N ATOM 0 H LYS A 12 9.227 -26.620 -6.979 1.00 22.21 H new ATOM 0 HA LYS A 12 8.757 -27.549 -4.143 1.00 73.13 H new ATOM 0 HB2 LYS A 12 8.777 -24.819 -5.428 1.00 62.33 H new ATOM 0 HB3 LYS A 12 7.390 -25.157 -4.411 1.00 62.33 H new ATOM 0 HG2 LYS A 12 10.255 -25.670 -3.474 1.00 3.22 H new ATOM 0 HG3 LYS A 12 9.455 -24.130 -3.226 1.00 3.22 H new ATOM 0 HD2 LYS A 12 7.765 -26.440 -2.441 1.00 1.24 H new ATOM 0 HD3 LYS A 12 9.260 -26.353 -1.530 1.00 1.24 H new ATOM 0 HE2 LYS A 12 8.684 -23.781 -1.249 1.00 70.20 H new ATOM 0 HE3 LYS A 12 7.064 -24.242 -1.731 1.00 70.20 H new ATOM 0 HZ1 LYS A 12 7.361 -24.481 0.681 1.00 4.22 H new ATOM 0 HZ2 LYS A 12 7.086 -25.999 -0.028 1.00 4.22 H new ATOM 0 HZ3 LYS A 12 8.656 -25.552 0.439 1.00 4.22 H new ATOM 186 N SER A 13 7.147 -28.168 -6.574 1.00 0.51 N ATOM 187 CA SER A 13 5.857 -28.677 -7.121 1.00 31.13 C ATOM 188 C SER A 13 4.983 -29.200 -5.979 1.00 3.21 C ATOM 189 O SER A 13 5.132 -30.322 -5.533 1.00 61.40 O ATOM 190 CB SER A 13 6.246 -29.812 -8.065 1.00 40.24 C ATOM 191 OG SER A 13 7.095 -30.723 -7.381 1.00 55.21 O ATOM 0 H SER A 13 7.982 -28.459 -7.083 1.00 0.51 H new ATOM 0 HA SER A 13 5.286 -27.904 -7.635 1.00 31.13 H new ATOM 0 HB2 SER A 13 5.353 -30.326 -8.421 1.00 40.24 H new ATOM 0 HB3 SER A 13 6.754 -29.412 -8.942 1.00 40.24 H new ATOM 0 HG SER A 13 6.657 -31.024 -6.558 1.00 55.21 H new ATOM 197 N MET A 14 4.080 -28.394 -5.494 1.00 3.15 N ATOM 198 CA MET A 14 3.206 -28.848 -4.374 1.00 13.43 C ATOM 199 C MET A 14 1.747 -28.924 -4.818 1.00 23.11 C ATOM 200 O MET A 14 1.438 -29.025 -5.989 1.00 72.31 O ATOM 201 CB MET A 14 3.379 -27.790 -3.286 1.00 43.12 C ATOM 202 CG MET A 14 3.478 -28.476 -1.923 1.00 10.25 C ATOM 203 SD MET A 14 5.186 -28.396 -1.330 1.00 34.43 S ATOM 204 CE MET A 14 5.862 -29.675 -2.419 1.00 1.33 C ATOM 0 H MET A 14 3.909 -27.444 -5.823 1.00 3.15 H new ATOM 0 HA MET A 14 3.476 -29.845 -4.027 1.00 13.43 H new ATOM 0 HB2 MET A 14 4.276 -27.201 -3.475 1.00 43.12 H new ATOM 0 HB3 MET A 14 2.536 -27.099 -3.298 1.00 43.12 H new ATOM 0 HG2 MET A 14 2.811 -27.991 -1.210 1.00 10.25 H new ATOM 0 HG3 MET A 14 3.158 -29.515 -2.003 1.00 10.25 H new ATOM 0 HE1 MET A 14 6.770 -30.086 -1.978 1.00 1.33 H new ATOM 0 HE2 MET A 14 5.128 -30.471 -2.545 1.00 1.33 H new ATOM 0 HE3 MET A 14 6.095 -29.240 -3.391 1.00 1.33 H new ATOM 214 N PHE A 15 0.852 -28.883 -3.876 1.00 32.02 N ATOM 215 CA PHE A 15 -0.599 -28.959 -4.207 1.00 43.51 C ATOM 216 C PHE A 15 -1.260 -27.591 -4.004 1.00 54.14 C ATOM 217 O PHE A 15 -0.925 -26.861 -3.094 1.00 72.20 O ATOM 218 CB PHE A 15 -1.155 -29.991 -3.221 1.00 3.30 C ATOM 219 CG PHE A 15 -2.654 -29.839 -3.092 1.00 33.21 C ATOM 220 CD1 PHE A 15 -3.188 -28.779 -2.351 1.00 35.15 C ATOM 221 CD2 PHE A 15 -3.504 -30.762 -3.707 1.00 23.04 C ATOM 222 CE1 PHE A 15 -4.577 -28.642 -2.228 1.00 30.31 C ATOM 223 CE2 PHE A 15 -4.892 -30.626 -3.585 1.00 52.50 C ATOM 224 CZ PHE A 15 -5.429 -29.566 -2.846 1.00 33.10 C ATOM 0 H PHE A 15 1.063 -28.799 -2.881 1.00 32.02 H new ATOM 0 HA PHE A 15 -0.785 -29.239 -5.244 1.00 43.51 H new ATOM 0 HB2 PHE A 15 -0.913 -30.997 -3.562 1.00 3.30 H new ATOM 0 HB3 PHE A 15 -0.684 -29.863 -2.246 1.00 3.30 H new ATOM 0 HD1 PHE A 15 -2.530 -28.067 -1.874 1.00 35.15 H new ATOM 0 HD2 PHE A 15 -3.090 -31.581 -4.277 1.00 23.04 H new ATOM 0 HE1 PHE A 15 -4.991 -27.824 -1.657 1.00 30.31 H new ATOM 0 HE2 PHE A 15 -5.548 -31.339 -4.061 1.00 52.50 H new ATOM 0 HZ PHE A 15 -6.500 -29.460 -2.752 1.00 33.10 H new ATOM 234 N CYS A 16 -2.197 -27.245 -4.843 1.00 63.15 N ATOM 235 CA CYS A 16 -2.878 -25.924 -4.698 1.00 31.13 C ATOM 236 C CYS A 16 -4.378 -26.072 -4.966 1.00 72.25 C ATOM 237 O CYS A 16 -4.814 -27.009 -5.602 1.00 2.13 O ATOM 238 CB CYS A 16 -2.229 -25.021 -5.748 1.00 22.42 C ATOM 239 SG CYS A 16 -0.688 -24.341 -5.087 1.00 1.43 S ATOM 0 H CYS A 16 -2.521 -27.818 -5.622 1.00 63.15 H new ATOM 0 HA CYS A 16 -2.774 -25.514 -3.693 1.00 31.13 H new ATOM 0 HB2 CYS A 16 -2.029 -25.588 -6.657 1.00 22.42 H new ATOM 0 HB3 CYS A 16 -2.909 -24.213 -6.019 1.00 22.42 H new ATOM 0 HG CYS A 16 -0.284 -25.071 -4.090 1.00 1.43 H new ATOM 245 N VAL A 17 -5.171 -25.153 -4.482 1.00 14.12 N ATOM 246 CA VAL A 17 -6.644 -25.247 -4.708 1.00 5.24 C ATOM 247 C VAL A 17 -7.146 -24.017 -5.468 1.00 23.41 C ATOM 248 O VAL A 17 -6.802 -22.894 -5.148 1.00 4.51 O ATOM 249 CB VAL A 17 -7.280 -25.294 -3.312 1.00 1.05 C ATOM 250 CG1 VAL A 17 -8.625 -26.015 -3.396 1.00 41.22 C ATOM 251 CG2 VAL A 17 -6.366 -26.044 -2.340 1.00 43.52 C ATOM 0 H VAL A 17 -4.864 -24.344 -3.942 1.00 14.12 H new ATOM 0 HA VAL A 17 -6.900 -26.125 -5.301 1.00 5.24 H new ATOM 0 HB VAL A 17 -7.424 -24.275 -2.952 1.00 1.05 H new ATOM 0 HG11 VAL A 17 -9.081 -26.051 -2.407 1.00 41.22 H new ATOM 0 HG12 VAL A 17 -9.283 -25.479 -4.080 1.00 41.22 H new ATOM 0 HG13 VAL A 17 -8.471 -27.030 -3.762 1.00 41.22 H new ATOM 0 HG21 VAL A 17 -6.828 -26.071 -1.353 1.00 43.52 H new ATOM 0 HG22 VAL A 17 -6.213 -27.063 -2.697 1.00 43.52 H new ATOM 0 HG23 VAL A 17 -5.405 -25.534 -2.277 1.00 43.52 H new ATOM 261 N ILE A 18 -7.963 -24.215 -6.463 1.00 42.11 N ATOM 262 CA ILE A 18 -8.497 -23.054 -7.234 1.00 74.01 C ATOM 263 C ILE A 18 -9.959 -22.797 -6.859 1.00 11.14 C ATOM 264 O ILE A 18 -10.839 -23.563 -7.196 1.00 3.12 O ATOM 265 CB ILE A 18 -8.389 -23.468 -8.702 1.00 41.04 C ATOM 266 CG1 ILE A 18 -6.926 -23.392 -9.147 1.00 50.34 C ATOM 267 CG2 ILE A 18 -9.231 -22.526 -9.562 1.00 35.23 C ATOM 268 CD1 ILE A 18 -6.398 -24.804 -9.402 1.00 63.13 C ATOM 0 H ILE A 18 -8.286 -25.130 -6.778 1.00 42.11 H new ATOM 0 HA ILE A 18 -7.948 -22.135 -7.027 1.00 74.01 H new ATOM 0 HB ILE A 18 -8.753 -24.489 -8.818 1.00 41.04 H new ATOM 0 HG12 ILE A 18 -6.841 -22.791 -10.052 1.00 50.34 H new ATOM 0 HG13 ILE A 18 -6.326 -22.901 -8.381 1.00 50.34 H new ATOM 0 HG21 ILE A 18 -9.154 -22.822 -10.608 1.00 35.23 H new ATOM 0 HG22 ILE A 18 -10.273 -22.579 -9.246 1.00 35.23 H new ATOM 0 HG23 ILE A 18 -8.868 -21.505 -9.446 1.00 35.23 H new ATOM 0 HD11 ILE A 18 -5.356 -24.751 -9.719 1.00 63.13 H new ATOM 0 HD12 ILE A 18 -6.469 -25.390 -8.486 1.00 63.13 H new ATOM 0 HD13 ILE A 18 -6.991 -25.279 -10.183 1.00 63.13 H new ATOM 280 N TYR A 19 -10.224 -21.727 -6.159 1.00 10.50 N ATOM 281 CA TYR A 19 -11.630 -21.425 -5.762 1.00 43.41 C ATOM 282 C TYR A 19 -12.313 -20.579 -6.837 1.00 21.40 C ATOM 283 O TYR A 19 -11.668 -19.891 -7.602 1.00 2.03 O ATOM 284 CB TYR A 19 -11.525 -20.623 -4.467 1.00 31.15 C ATOM 285 CG TYR A 19 -11.358 -21.564 -3.297 1.00 22.25 C ATOM 286 CD1 TYR A 19 -10.081 -22.014 -2.937 1.00 0.13 C ATOM 287 CD2 TYR A 19 -12.478 -21.986 -2.571 1.00 2.02 C ATOM 288 CE1 TYR A 19 -9.926 -22.884 -1.854 1.00 53.52 C ATOM 289 CE2 TYR A 19 -12.323 -22.858 -1.486 1.00 22.32 C ATOM 290 CZ TYR A 19 -11.046 -23.307 -1.127 1.00 70.03 C ATOM 291 OH TYR A 19 -10.893 -24.165 -0.057 1.00 5.33 O ATOM 0 H TYR A 19 -9.529 -21.050 -5.845 1.00 10.50 H new ATOM 0 HA TYR A 19 -12.216 -22.335 -5.636 1.00 43.41 H new ATOM 0 HB2 TYR A 19 -10.678 -19.939 -4.519 1.00 31.15 H new ATOM 0 HB3 TYR A 19 -12.419 -20.014 -4.332 1.00 31.15 H new ATOM 0 HD1 TYR A 19 -9.216 -21.689 -3.496 1.00 0.13 H new ATOM 0 HD2 TYR A 19 -13.463 -21.639 -2.848 1.00 2.02 H new ATOM 0 HE1 TYR A 19 -8.941 -23.231 -1.577 1.00 53.52 H new ATOM 0 HE2 TYR A 19 -13.188 -23.184 -0.927 1.00 22.32 H new ATOM 0 HH TYR A 19 -11.770 -24.357 0.336 1.00 5.33 H new ATOM 301 N ARG A 20 -13.615 -20.615 -6.890 1.00 21.04 N ATOM 302 CA ARG A 20 -14.341 -19.801 -7.902 1.00 4.05 C ATOM 303 C ARG A 20 -15.324 -18.859 -7.197 1.00 52.31 C ATOM 304 O ARG A 20 -15.946 -19.215 -6.216 1.00 20.00 O ATOM 305 CB ARG A 20 -15.080 -20.814 -8.780 1.00 64.43 C ATOM 306 CG ARG A 20 -16.226 -21.448 -7.988 1.00 42.14 C ATOM 307 CD ARG A 20 -17.562 -21.003 -8.587 1.00 14.41 C ATOM 308 NE ARG A 20 -18.547 -22.026 -8.135 1.00 32.22 N ATOM 309 CZ ARG A 20 -19.726 -22.085 -8.691 1.00 55.21 C ATOM 310 NH1 ARG A 20 -19.832 -22.319 -9.971 1.00 4.14 N ATOM 311 NH2 ARG A 20 -20.798 -21.911 -7.969 1.00 35.32 N ATOM 0 H ARG A 20 -14.207 -21.173 -6.276 1.00 21.04 H new ATOM 0 HA ARG A 20 -13.674 -19.177 -8.496 1.00 4.05 H new ATOM 0 HB2 ARG A 20 -15.470 -20.321 -9.670 1.00 64.43 H new ATOM 0 HB3 ARG A 20 -14.390 -21.586 -9.120 1.00 64.43 H new ATOM 0 HG2 ARG A 20 -16.146 -22.535 -8.017 1.00 42.14 H new ATOM 0 HG3 ARG A 20 -16.167 -21.152 -6.941 1.00 42.14 H new ATOM 0 HD2 ARG A 20 -17.839 -20.008 -8.239 1.00 14.41 H new ATOM 0 HD3 ARG A 20 -17.511 -20.958 -9.675 1.00 14.41 H new ATOM 0 HE ARG A 20 -18.300 -22.679 -7.392 1.00 32.22 H new ATOM 0 HH11 ARG A 20 -18.994 -22.456 -10.536 1.00 4.14 H new ATOM 0 HH12 ARG A 20 -20.753 -22.365 -10.406 1.00 4.14 H new ATOM 0 HH21 ARG A 20 -20.715 -21.729 -6.969 1.00 35.32 H new ATOM 0 HH22 ARG A 20 -21.719 -21.957 -8.404 1.00 35.32 H new ATOM 325 N SER A 21 -15.459 -17.659 -7.680 1.00 11.40 N ATOM 326 CA SER A 21 -16.393 -16.699 -7.025 1.00 3.11 C ATOM 327 C SER A 21 -17.843 -17.160 -7.203 1.00 60.50 C ATOM 328 O SER A 21 -18.238 -17.601 -8.265 1.00 4.34 O ATOM 329 CB SER A 21 -16.160 -15.367 -7.734 1.00 23.32 C ATOM 330 OG SER A 21 -15.020 -14.729 -7.174 1.00 60.40 O ATOM 0 H SER A 21 -14.966 -17.299 -8.497 1.00 11.40 H new ATOM 0 HA SER A 21 -16.217 -16.623 -5.952 1.00 3.11 H new ATOM 0 HB2 SER A 21 -16.011 -15.531 -8.801 1.00 23.32 H new ATOM 0 HB3 SER A 21 -17.037 -14.728 -7.629 1.00 23.32 H new ATOM 0 HG SER A 21 -14.767 -15.182 -6.343 1.00 60.40 H new ATOM 336 N SER A 22 -18.636 -17.068 -6.170 1.00 12.23 N ATOM 337 CA SER A 22 -20.057 -17.504 -6.275 1.00 13.33 C ATOM 338 C SER A 22 -20.710 -16.908 -7.526 1.00 74.04 C ATOM 339 O SER A 22 -21.434 -17.576 -8.236 1.00 71.40 O ATOM 340 CB SER A 22 -20.729 -16.969 -5.010 1.00 32.40 C ATOM 341 OG SER A 22 -22.139 -17.067 -5.150 1.00 32.50 O ATOM 0 H SER A 22 -18.360 -16.709 -5.256 1.00 12.23 H new ATOM 0 HA SER A 22 -20.149 -18.587 -6.360 1.00 13.33 H new ATOM 0 HB2 SER A 22 -20.398 -17.537 -4.141 1.00 32.40 H new ATOM 0 HB3 SER A 22 -20.440 -15.932 -4.842 1.00 32.40 H new ATOM 0 HG SER A 22 -22.573 -16.726 -4.340 1.00 32.50 H new ATOM 347 N LYS A 23 -20.458 -15.658 -7.806 1.00 1.12 N ATOM 348 CA LYS A 23 -21.067 -15.033 -9.016 1.00 31.05 C ATOM 349 C LYS A 23 -20.102 -14.009 -9.630 1.00 64.31 C ATOM 350 O LYS A 23 -20.063 -12.858 -9.241 1.00 73.51 O ATOM 351 CB LYS A 23 -22.340 -14.349 -8.512 1.00 31.00 C ATOM 352 CG LYS A 23 -21.976 -13.179 -7.597 1.00 54.40 C ATOM 353 CD LYS A 23 -22.832 -13.228 -6.333 1.00 23.04 C ATOM 354 CE LYS A 23 -22.116 -14.058 -5.265 1.00 75.41 C ATOM 355 NZ LYS A 23 -20.867 -13.306 -4.966 1.00 24.15 N ATOM 0 H LYS A 23 -19.860 -15.045 -7.253 1.00 1.12 H new ATOM 0 HA LYS A 23 -21.283 -15.764 -9.795 1.00 31.05 H new ATOM 0 HB2 LYS A 23 -22.930 -13.992 -9.356 1.00 31.00 H new ATOM 0 HB3 LYS A 23 -22.959 -15.066 -7.972 1.00 31.00 H new ATOM 0 HG2 LYS A 23 -20.919 -13.226 -7.334 1.00 54.40 H new ATOM 0 HG3 LYS A 23 -22.134 -12.235 -8.118 1.00 54.40 H new ATOM 0 HD2 LYS A 23 -23.013 -12.218 -5.964 1.00 23.04 H new ATOM 0 HD3 LYS A 23 -23.805 -13.665 -6.557 1.00 23.04 H new ATOM 0 HE2 LYS A 23 -22.732 -14.170 -4.373 1.00 75.41 H new ATOM 0 HE3 LYS A 23 -21.895 -15.062 -5.628 1.00 75.41 H new ATOM 0 HZ1 LYS A 23 -20.682 -13.333 -3.943 1.00 24.15 H new ATOM 0 HZ2 LYS A 23 -20.070 -13.741 -5.474 1.00 24.15 H new ATOM 0 HZ3 LYS A 23 -20.975 -12.318 -5.272 1.00 24.15 H new ATOM 369 N ARG A 24 -19.328 -14.419 -10.597 1.00 12.13 N ATOM 370 CA ARG A 24 -18.373 -13.472 -11.239 1.00 32.03 C ATOM 371 C ARG A 24 -18.028 -13.951 -12.650 1.00 12.03 C ATOM 372 O ARG A 24 -18.417 -15.025 -13.062 1.00 20.41 O ATOM 373 CB ARG A 24 -17.128 -13.497 -10.348 1.00 23.14 C ATOM 374 CG ARG A 24 -17.312 -12.532 -9.173 1.00 13.50 C ATOM 375 CD ARG A 24 -17.692 -11.145 -9.700 1.00 12.11 C ATOM 376 NE ARG A 24 -17.433 -10.216 -8.567 1.00 52.23 N ATOM 377 CZ ARG A 24 -17.973 -9.031 -8.560 1.00 71.43 C ATOM 378 NH1 ARG A 24 -19.212 -8.882 -8.180 1.00 63.33 N ATOM 379 NH2 ARG A 24 -17.277 -7.994 -8.938 1.00 44.05 N ATOM 0 H ARG A 24 -19.315 -15.368 -10.970 1.00 12.13 H new ATOM 0 HA ARG A 24 -18.787 -12.468 -11.333 1.00 32.03 H new ATOM 0 HB2 ARG A 24 -16.955 -14.507 -9.977 1.00 23.14 H new ATOM 0 HB3 ARG A 24 -16.249 -13.215 -10.928 1.00 23.14 H new ATOM 0 HG2 ARG A 24 -18.088 -12.903 -8.503 1.00 13.50 H new ATOM 0 HG3 ARG A 24 -16.392 -12.471 -8.592 1.00 13.50 H new ATOM 0 HD2 ARG A 24 -17.096 -10.878 -10.573 1.00 12.11 H new ATOM 0 HD3 ARG A 24 -18.738 -11.112 -10.006 1.00 12.11 H new ATOM 0 HE ARG A 24 -16.832 -10.507 -7.796 1.00 52.23 H new ATOM 0 HH11 ARG A 24 -19.757 -9.693 -7.889 1.00 63.33 H new ATOM 0 HH12 ARG A 24 -19.636 -7.954 -8.174 1.00 63.33 H new ATOM 0 HH21 ARG A 24 -16.310 -8.111 -9.239 1.00 44.05 H new ATOM 0 HH22 ARG A 24 -17.700 -7.066 -8.932 1.00 44.05 H new ATOM 393 N ASP A 25 -17.301 -13.165 -13.394 1.00 5.42 N ATOM 394 CA ASP A 25 -16.935 -13.581 -14.777 1.00 14.12 C ATOM 395 C ASP A 25 -15.925 -14.727 -14.731 1.00 70.15 C ATOM 396 O ASP A 25 -16.191 -15.823 -15.183 1.00 24.30 O ATOM 397 CB ASP A 25 -16.310 -12.339 -15.413 1.00 72.03 C ATOM 398 CG ASP A 25 -16.619 -12.324 -16.911 1.00 54.20 C ATOM 399 OD1 ASP A 25 -17.649 -12.857 -17.289 1.00 71.04 O ATOM 400 OD2 ASP A 25 -15.820 -11.781 -17.654 1.00 14.14 O ATOM 0 H ASP A 25 -16.945 -12.254 -13.105 1.00 5.42 H new ATOM 0 HA ASP A 25 -17.795 -13.938 -15.343 1.00 14.12 H new ATOM 0 HB2 ASP A 25 -16.703 -11.439 -14.941 1.00 72.03 H new ATOM 0 HB3 ASP A 25 -15.232 -12.339 -15.253 1.00 72.03 H new ATOM 405 N GLN A 26 -14.766 -14.481 -14.187 1.00 23.15 N ATOM 406 CA GLN A 26 -13.735 -15.556 -14.108 1.00 32.41 C ATOM 407 C GLN A 26 -12.797 -15.303 -12.925 1.00 33.32 C ATOM 408 O GLN A 26 -11.597 -15.464 -13.027 1.00 3.31 O ATOM 409 CB GLN A 26 -12.970 -15.470 -15.428 1.00 11.14 C ATOM 410 CG GLN A 26 -12.881 -16.862 -16.060 1.00 34.43 C ATOM 411 CD GLN A 26 -12.978 -16.737 -17.582 1.00 61.24 C ATOM 412 OE1 GLN A 26 -11.995 -16.888 -18.279 1.00 13.52 O ATOM 413 NE2 GLN A 26 -14.132 -16.466 -18.129 1.00 64.32 N ATOM 0 H GLN A 26 -14.487 -13.582 -13.793 1.00 23.15 H new ATOM 0 HA GLN A 26 -14.176 -16.541 -13.957 1.00 32.41 H new ATOM 0 HB2 GLN A 26 -13.473 -14.782 -16.108 1.00 11.14 H new ATOM 0 HB3 GLN A 26 -11.970 -15.073 -15.255 1.00 11.14 H new ATOM 0 HG2 GLN A 26 -11.941 -17.340 -15.783 1.00 34.43 H new ATOM 0 HG3 GLN A 26 -13.684 -17.496 -15.684 1.00 34.43 H new ATOM 0 HE21 GLN A 26 -14.957 -16.339 -17.543 1.00 64.32 H new ATOM 0 HE22 GLN A 26 -14.209 -16.381 -19.143 1.00 64.32 H new ATOM 422 N THR A 27 -13.335 -14.906 -11.803 1.00 34.13 N ATOM 423 CA THR A 27 -12.472 -14.642 -10.614 1.00 53.02 C ATOM 424 C THR A 27 -12.207 -15.943 -9.858 1.00 10.50 C ATOM 425 O THR A 27 -13.116 -16.684 -9.540 1.00 24.40 O ATOM 426 CB THR A 27 -13.275 -13.673 -9.746 1.00 50.04 C ATOM 427 OG1 THR A 27 -13.556 -12.494 -10.488 1.00 41.43 O ATOM 428 CG2 THR A 27 -12.466 -13.315 -8.499 1.00 73.14 C ATOM 0 H THR A 27 -14.333 -14.753 -11.658 1.00 34.13 H new ATOM 0 HA THR A 27 -11.502 -14.230 -10.892 1.00 53.02 H new ATOM 0 HB THR A 27 -14.212 -14.143 -9.446 1.00 50.04 H new ATOM 0 HG1 THR A 27 -14.072 -11.873 -9.933 1.00 41.43 H new ATOM 0 HG21 THR A 27 -13.038 -12.624 -7.880 1.00 73.14 H new ATOM 0 HG22 THR A 27 -12.253 -14.221 -7.931 1.00 73.14 H new ATOM 0 HG23 THR A 27 -11.529 -12.845 -8.796 1.00 73.14 H new ATOM 436 N TYR A 28 -10.967 -16.231 -9.567 1.00 15.41 N ATOM 437 CA TYR A 28 -10.653 -17.491 -8.831 1.00 12.42 C ATOM 438 C TYR A 28 -9.530 -17.259 -7.819 1.00 75.30 C ATOM 439 O TYR A 28 -8.596 -16.520 -8.066 1.00 35.03 O ATOM 440 CB TYR A 28 -10.202 -18.479 -9.909 1.00 3.32 C ATOM 441 CG TYR A 28 -11.407 -18.983 -10.668 1.00 40.40 C ATOM 442 CD1 TYR A 28 -12.025 -18.167 -11.622 1.00 33.40 C ATOM 443 CD2 TYR A 28 -11.904 -20.268 -10.419 1.00 73.23 C ATOM 444 CE1 TYR A 28 -13.141 -18.636 -12.327 1.00 41.22 C ATOM 445 CE2 TYR A 28 -13.020 -20.738 -11.125 1.00 43.05 C ATOM 446 CZ TYR A 28 -13.638 -19.920 -12.078 1.00 53.41 C ATOM 447 OH TYR A 28 -14.738 -20.381 -12.774 1.00 40.43 O ATOM 0 H TYR A 28 -10.161 -15.652 -9.805 1.00 15.41 H new ATOM 0 HA TYR A 28 -11.512 -17.858 -8.269 1.00 12.42 H new ATOM 0 HB2 TYR A 28 -9.505 -17.994 -10.593 1.00 3.32 H new ATOM 0 HB3 TYR A 28 -9.671 -19.314 -9.452 1.00 3.32 H new ATOM 0 HD1 TYR A 28 -11.642 -17.176 -11.815 1.00 33.40 H new ATOM 0 HD2 TYR A 28 -11.427 -20.898 -9.682 1.00 73.23 H new ATOM 0 HE1 TYR A 28 -13.618 -18.006 -13.063 1.00 41.22 H new ATOM 0 HE2 TYR A 28 -13.402 -21.730 -10.934 1.00 43.05 H new ATOM 0 HH TYR A 28 -14.952 -21.291 -12.481 1.00 40.43 H new ATOM 457 N LEU A 29 -9.606 -17.894 -6.682 1.00 35.10 N ATOM 458 CA LEU A 29 -8.541 -17.723 -5.652 1.00 73.13 C ATOM 459 C LEU A 29 -7.640 -18.961 -5.625 1.00 60.03 C ATOM 460 O LEU A 29 -8.063 -20.051 -5.958 1.00 73.23 O ATOM 461 CB LEU A 29 -9.288 -17.584 -4.327 1.00 52.52 C ATOM 462 CG LEU A 29 -9.131 -16.160 -3.789 1.00 24.23 C ATOM 463 CD1 LEU A 29 -9.845 -16.050 -2.442 1.00 65.52 C ATOM 464 CD2 LEU A 29 -7.646 -15.839 -3.601 1.00 11.13 C ATOM 0 H LEU A 29 -10.362 -18.526 -6.420 1.00 35.10 H new ATOM 0 HA LEU A 29 -7.904 -16.861 -5.853 1.00 73.13 H new ATOM 0 HB2 LEU A 29 -10.344 -17.814 -4.469 1.00 52.52 H new ATOM 0 HB3 LEU A 29 -8.900 -18.301 -3.603 1.00 52.52 H new ATOM 0 HG LEU A 29 -9.566 -15.455 -4.498 1.00 24.23 H new ATOM 0 HD11 LEU A 29 -9.736 -15.037 -2.054 1.00 65.52 H new ATOM 0 HD12 LEU A 29 -10.903 -16.277 -2.571 1.00 65.52 H new ATOM 0 HD13 LEU A 29 -9.406 -16.757 -1.738 1.00 65.52 H new ATOM 0 HD21 LEU A 29 -7.539 -14.824 -3.218 1.00 11.13 H new ATOM 0 HD22 LEU A 29 -7.209 -16.542 -2.893 1.00 11.13 H new ATOM 0 HD23 LEU A 29 -7.132 -15.921 -4.559 1.00 11.13 H new ATOM 476 N TYR A 30 -6.408 -18.808 -5.230 1.00 63.43 N ATOM 477 CA TYR A 30 -5.494 -19.985 -5.181 1.00 1.04 C ATOM 478 C TYR A 30 -4.862 -20.104 -3.794 1.00 63.31 C ATOM 479 O TYR A 30 -4.447 -19.127 -3.200 1.00 73.32 O ATOM 480 CB TYR A 30 -4.428 -19.705 -6.238 1.00 64.34 C ATOM 481 CG TYR A 30 -5.033 -19.857 -7.610 1.00 30.42 C ATOM 482 CD1 TYR A 30 -5.959 -18.913 -8.070 1.00 20.34 C ATOM 483 CD2 TYR A 30 -4.673 -20.939 -8.423 1.00 13.13 C ATOM 484 CE1 TYR A 30 -6.524 -19.051 -9.342 1.00 74.51 C ATOM 485 CE2 TYR A 30 -5.239 -21.078 -9.695 1.00 5.42 C ATOM 486 CZ TYR A 30 -6.165 -20.133 -10.155 1.00 23.10 C ATOM 487 OH TYR A 30 -6.725 -20.268 -11.409 1.00 64.01 O ATOM 0 H TYR A 30 -5.994 -17.922 -4.939 1.00 63.43 H new ATOM 0 HA TYR A 30 -6.016 -20.923 -5.372 1.00 1.04 H new ATOM 0 HB2 TYR A 30 -4.031 -18.697 -6.113 1.00 64.34 H new ATOM 0 HB3 TYR A 30 -3.592 -20.394 -6.119 1.00 64.34 H new ATOM 0 HD1 TYR A 30 -6.237 -18.079 -7.443 1.00 20.34 H new ATOM 0 HD2 TYR A 30 -3.958 -21.667 -8.068 1.00 13.13 H new ATOM 0 HE1 TYR A 30 -7.238 -18.322 -9.697 1.00 74.51 H new ATOM 0 HE2 TYR A 30 -4.962 -21.913 -10.322 1.00 5.42 H new ATOM 0 HH TYR A 30 -6.368 -21.071 -11.842 1.00 64.01 H new ATOM 497 N VAL A 31 -4.785 -21.297 -3.273 1.00 4.21 N ATOM 498 CA VAL A 31 -4.183 -21.494 -1.924 1.00 75.40 C ATOM 499 C VAL A 31 -3.453 -22.833 -1.862 1.00 73.41 C ATOM 500 O VAL A 31 -3.780 -23.763 -2.569 1.00 63.50 O ATOM 501 CB VAL A 31 -5.351 -21.485 -0.925 1.00 42.03 C ATOM 502 CG1 VAL A 31 -5.599 -20.055 -0.453 1.00 74.10 C ATOM 503 CG2 VAL A 31 -6.623 -22.030 -1.587 1.00 3.41 C ATOM 0 H VAL A 31 -5.115 -22.149 -3.726 1.00 4.21 H new ATOM 0 HA VAL A 31 -3.458 -20.712 -1.697 1.00 75.40 H new ATOM 0 HB VAL A 31 -5.096 -22.119 -0.075 1.00 42.03 H new ATOM 0 HG11 VAL A 31 -6.427 -20.044 0.256 1.00 74.10 H new ATOM 0 HG12 VAL A 31 -4.701 -19.671 0.032 1.00 74.10 H new ATOM 0 HG13 VAL A 31 -5.846 -19.427 -1.309 1.00 74.10 H new ATOM 0 HG21 VAL A 31 -7.442 -22.018 -0.867 1.00 3.41 H new ATOM 0 HG22 VAL A 31 -6.883 -21.407 -2.443 1.00 3.41 H new ATOM 0 HG23 VAL A 31 -6.449 -23.053 -1.921 1.00 3.41 H new ATOM 513 N GLU A 32 -2.471 -22.937 -1.014 1.00 51.33 N ATOM 514 CA GLU A 32 -1.727 -24.225 -0.905 1.00 25.42 C ATOM 515 C GLU A 32 -2.673 -25.318 -0.406 1.00 2.13 C ATOM 516 O GLU A 32 -2.366 -26.491 -0.456 1.00 12.30 O ATOM 517 CB GLU A 32 -0.620 -23.961 0.115 1.00 4.13 C ATOM 518 CG GLU A 32 -1.242 -23.622 1.472 1.00 74.04 C ATOM 519 CD GLU A 32 -0.321 -24.111 2.590 1.00 63.24 C ATOM 520 OE1 GLU A 32 -0.104 -25.309 2.672 1.00 41.43 O ATOM 521 OE2 GLU A 32 0.151 -23.277 3.347 1.00 54.05 O ATOM 0 H GLU A 32 -2.151 -22.193 -0.394 1.00 51.33 H new ATOM 0 HA GLU A 32 -1.319 -24.558 -1.859 1.00 25.42 H new ATOM 0 HB2 GLU A 32 0.021 -24.838 0.206 1.00 4.13 H new ATOM 0 HB3 GLU A 32 0.011 -23.139 -0.223 1.00 4.13 H new ATOM 0 HG2 GLU A 32 -1.394 -22.546 1.556 1.00 74.04 H new ATOM 0 HG3 GLU A 32 -2.222 -24.090 1.562 1.00 74.04 H new ATOM 528 N LYS A 33 -3.826 -24.934 0.071 1.00 22.31 N ATOM 529 CA LYS A 33 -4.807 -25.938 0.572 1.00 74.33 C ATOM 530 C LYS A 33 -6.203 -25.314 0.632 1.00 11.41 C ATOM 531 O LYS A 33 -6.352 -24.110 0.715 1.00 62.03 O ATOM 532 CB LYS A 33 -4.318 -26.308 1.973 1.00 75.15 C ATOM 533 CG LYS A 33 -4.587 -25.146 2.933 1.00 43.23 C ATOM 534 CD LYS A 33 -3.335 -24.875 3.771 1.00 21.14 C ATOM 535 CE LYS A 33 -3.726 -24.743 5.246 1.00 0.14 C ATOM 536 NZ LYS A 33 -2.433 -24.640 5.980 1.00 35.23 N ATOM 0 H LYS A 33 -4.132 -23.963 0.135 1.00 22.31 H new ATOM 0 HA LYS A 33 -4.876 -26.813 -0.074 1.00 74.33 H new ATOM 0 HB2 LYS A 33 -4.827 -27.207 2.322 1.00 75.15 H new ATOM 0 HB3 LYS A 33 -3.252 -26.534 1.949 1.00 75.15 H new ATOM 0 HG2 LYS A 33 -4.862 -24.253 2.372 1.00 43.23 H new ATOM 0 HG3 LYS A 33 -5.428 -25.385 3.584 1.00 43.23 H new ATOM 0 HD2 LYS A 33 -2.618 -25.686 3.645 1.00 21.14 H new ATOM 0 HD3 LYS A 33 -2.847 -23.962 3.430 1.00 21.14 H new ATOM 0 HE2 LYS A 33 -4.346 -23.862 5.413 1.00 0.14 H new ATOM 0 HE3 LYS A 33 -4.302 -25.606 5.580 1.00 0.14 H new ATOM 0 HZ1 LYS A 33 -2.619 -24.547 6.999 1.00 35.23 H new ATOM 0 HZ2 LYS A 33 -1.867 -25.495 5.808 1.00 35.23 H new ATOM 0 HZ3 LYS A 33 -1.910 -23.806 5.646 1.00 35.23 H new ATOM 550 N LYS A 34 -7.227 -26.119 0.588 1.00 42.01 N ATOM 551 CA LYS A 34 -8.613 -25.567 0.641 1.00 30.33 C ATOM 552 C LYS A 34 -9.030 -25.331 2.094 1.00 52.52 C ATOM 553 O LYS A 34 -9.983 -25.910 2.577 1.00 32.22 O ATOM 554 CB LYS A 34 -9.497 -26.636 -0.005 1.00 64.23 C ATOM 555 CG LYS A 34 -9.567 -27.864 0.904 1.00 50.42 C ATOM 556 CD LYS A 34 -9.434 -29.133 0.055 1.00 12.52 C ATOM 557 CE LYS A 34 -8.012 -29.683 0.177 1.00 12.25 C ATOM 558 NZ LYS A 34 -7.921 -30.206 1.570 1.00 11.32 N ATOM 0 H LYS A 34 -7.166 -27.135 0.518 1.00 42.01 H new ATOM 0 HA LYS A 34 -8.695 -24.610 0.126 1.00 30.33 H new ATOM 0 HB2 LYS A 34 -10.498 -26.240 -0.175 1.00 64.23 H new ATOM 0 HB3 LYS A 34 -9.095 -26.915 -0.979 1.00 64.23 H new ATOM 0 HG2 LYS A 34 -8.771 -27.826 1.648 1.00 50.42 H new ATOM 0 HG3 LYS A 34 -10.511 -27.874 1.448 1.00 50.42 H new ATOM 0 HD2 LYS A 34 -10.154 -29.881 0.386 1.00 12.52 H new ATOM 0 HD3 LYS A 34 -9.661 -28.911 -0.988 1.00 12.52 H new ATOM 0 HE2 LYS A 34 -7.829 -30.471 -0.554 1.00 12.25 H new ATOM 0 HE3 LYS A 34 -7.271 -28.904 -0.002 1.00 12.25 H new ATOM 0 HZ1 LYS A 34 -7.333 -31.064 1.581 1.00 11.32 H new ATOM 0 HZ2 LYS A 34 -7.492 -29.485 2.184 1.00 11.32 H new ATOM 0 HZ3 LYS A 34 -8.874 -30.435 1.918 1.00 11.32 H new ATOM 572 N ASP A 35 -8.323 -24.487 2.800 1.00 51.31 N ATOM 573 CA ASP A 35 -8.688 -24.231 4.223 1.00 44.12 C ATOM 574 C ASP A 35 -9.477 -22.926 4.355 1.00 72.30 C ATOM 575 O ASP A 35 -10.664 -22.932 4.616 1.00 44.15 O ATOM 576 CB ASP A 35 -7.355 -24.129 4.962 1.00 13.30 C ATOM 577 CG ASP A 35 -7.133 -25.398 5.790 1.00 12.12 C ATOM 578 OD1 ASP A 35 -7.291 -26.474 5.239 1.00 70.32 O ATOM 579 OD2 ASP A 35 -6.810 -25.270 6.959 1.00 60.24 O ATOM 0 H ASP A 35 -7.515 -23.968 2.455 1.00 51.31 H new ATOM 0 HA ASP A 35 -9.323 -25.019 4.628 1.00 44.12 H new ATOM 0 HB2 ASP A 35 -6.541 -24.000 4.249 1.00 13.30 H new ATOM 0 HB3 ASP A 35 -7.353 -23.253 5.611 1.00 13.30 H new ATOM 584 N ASP A 36 -8.827 -21.805 4.189 1.00 53.41 N ATOM 585 CA ASP A 36 -9.542 -20.505 4.316 1.00 22.23 C ATOM 586 C ASP A 36 -8.685 -19.363 3.772 1.00 73.23 C ATOM 587 O ASP A 36 -7.530 -19.540 3.438 1.00 53.05 O ATOM 588 CB ASP A 36 -9.782 -20.317 5.812 1.00 2.04 C ATOM 589 CG ASP A 36 -11.222 -20.705 6.152 1.00 2.20 C ATOM 590 OD1 ASP A 36 -12.124 -20.077 5.624 1.00 62.02 O ATOM 591 OD2 ASP A 36 -11.398 -21.624 6.935 1.00 20.40 O ATOM 0 H ASP A 36 -7.833 -21.735 3.971 1.00 53.41 H new ATOM 0 HA ASP A 36 -10.473 -20.502 3.749 1.00 22.23 H new ATOM 0 HB2 ASP A 36 -9.085 -20.930 6.383 1.00 2.04 H new ATOM 0 HB3 ASP A 36 -9.598 -19.280 6.093 1.00 2.04 H new ATOM 596 N PHE A 37 -9.242 -18.190 3.700 1.00 21.15 N ATOM 597 CA PHE A 37 -8.474 -17.018 3.195 1.00 64.05 C ATOM 598 C PHE A 37 -8.448 -15.924 4.266 1.00 10.40 C ATOM 599 O PHE A 37 -9.411 -15.209 4.463 1.00 20.05 O ATOM 600 CB PHE A 37 -9.253 -16.540 1.971 1.00 31.11 C ATOM 601 CG PHE A 37 -8.973 -17.453 0.804 1.00 54.42 C ATOM 602 CD1 PHE A 37 -9.695 -18.643 0.657 1.00 44.04 C ATOM 603 CD2 PHE A 37 -7.993 -17.109 -0.135 1.00 52.10 C ATOM 604 CE1 PHE A 37 -9.439 -19.489 -0.428 1.00 25.25 C ATOM 605 CE2 PHE A 37 -7.737 -17.954 -1.221 1.00 32.14 C ATOM 606 CZ PHE A 37 -8.459 -19.146 -1.367 1.00 32.23 C ATOM 0 H PHE A 37 -10.205 -17.989 3.971 1.00 21.15 H new ATOM 0 HA PHE A 37 -7.440 -17.264 2.952 1.00 64.05 H new ATOM 0 HB2 PHE A 37 -10.321 -16.529 2.189 1.00 31.11 H new ATOM 0 HB3 PHE A 37 -8.968 -15.518 1.722 1.00 31.11 H new ATOM 0 HD1 PHE A 37 -10.450 -18.909 1.382 1.00 44.04 H new ATOM 0 HD2 PHE A 37 -7.435 -16.192 -0.021 1.00 52.10 H new ATOM 0 HE1 PHE A 37 -9.997 -20.406 -0.541 1.00 25.25 H new ATOM 0 HE2 PHE A 37 -6.983 -17.687 -1.947 1.00 32.14 H new ATOM 0 HZ PHE A 37 -8.260 -19.800 -2.203 1.00 32.23 H new ATOM 616 N SER A 38 -7.355 -15.796 4.969 1.00 2.42 N ATOM 617 CA SER A 38 -7.270 -14.762 6.039 1.00 14.33 C ATOM 618 C SER A 38 -6.289 -13.654 5.642 1.00 72.41 C ATOM 619 O SER A 38 -6.158 -12.660 6.329 1.00 3.13 O ATOM 620 CB SER A 38 -6.762 -15.511 7.269 1.00 20.04 C ATOM 621 OG SER A 38 -6.090 -14.601 8.128 1.00 31.43 O ATOM 0 H SER A 38 -6.516 -16.364 4.848 1.00 2.42 H new ATOM 0 HA SER A 38 -8.230 -14.279 6.219 1.00 14.33 H new ATOM 0 HB2 SER A 38 -7.595 -15.978 7.795 1.00 20.04 H new ATOM 0 HB3 SER A 38 -6.086 -16.312 6.968 1.00 20.04 H new ATOM 0 HG SER A 38 -6.292 -13.682 7.854 1.00 31.43 H new ATOM 627 N ARG A 39 -5.600 -13.814 4.548 1.00 45.41 N ATOM 628 CA ARG A 39 -4.632 -12.760 4.129 1.00 5.41 C ATOM 629 C ARG A 39 -5.287 -11.813 3.125 1.00 23.24 C ATOM 630 O ARG A 39 -4.874 -10.681 2.965 1.00 75.52 O ATOM 631 CB ARG A 39 -3.472 -13.510 3.474 1.00 74.24 C ATOM 632 CG ARG A 39 -2.270 -12.575 3.344 1.00 22.12 C ATOM 633 CD ARG A 39 -1.912 -12.005 4.718 1.00 12.13 C ATOM 634 NE ARG A 39 -0.424 -12.013 4.759 1.00 33.03 N ATOM 635 CZ ARG A 39 0.204 -12.967 5.393 1.00 44.23 C ATOM 636 NH1 ARG A 39 0.198 -14.182 4.916 1.00 63.24 N ATOM 637 NH2 ARG A 39 0.841 -12.706 6.503 1.00 2.04 N ATOM 0 H ARG A 39 -5.663 -14.622 3.929 1.00 45.41 H new ATOM 0 HA ARG A 39 -4.298 -12.155 4.972 1.00 5.41 H new ATOM 0 HB2 ARG A 39 -3.205 -14.382 4.071 1.00 74.24 H new ATOM 0 HB3 ARG A 39 -3.770 -13.876 2.491 1.00 74.24 H new ATOM 0 HG2 ARG A 39 -1.419 -13.116 2.931 1.00 22.12 H new ATOM 0 HG3 ARG A 39 -2.500 -11.765 2.652 1.00 22.12 H new ATOM 0 HD2 ARG A 39 -2.305 -10.996 4.842 1.00 12.13 H new ATOM 0 HD3 ARG A 39 -2.333 -12.612 5.520 1.00 12.13 H new ATOM 0 HE ARG A 39 0.104 -11.275 4.293 1.00 33.03 H new ATOM 0 HH11 ARG A 39 -0.297 -14.387 4.048 1.00 63.24 H new ATOM 0 HH12 ARG A 39 0.688 -14.927 5.411 1.00 63.24 H new ATOM 0 HH21 ARG A 39 0.848 -11.757 6.876 1.00 2.04 H new ATOM 0 HH22 ARG A 39 1.331 -13.452 6.997 1.00 2.04 H new ATOM 651 N VAL A 40 -6.311 -12.261 2.452 1.00 43.05 N ATOM 652 CA VAL A 40 -6.990 -11.380 1.467 1.00 0.43 C ATOM 653 C VAL A 40 -7.648 -10.204 2.195 1.00 1.14 C ATOM 654 O VAL A 40 -8.326 -10.389 3.184 1.00 23.13 O ATOM 655 CB VAL A 40 -8.046 -12.264 0.806 1.00 51.22 C ATOM 656 CG1 VAL A 40 -9.096 -12.662 1.844 1.00 74.42 C ATOM 657 CG2 VAL A 40 -8.720 -11.490 -0.331 1.00 73.31 C ATOM 0 H VAL A 40 -6.705 -13.198 2.543 1.00 43.05 H new ATOM 0 HA VAL A 40 -6.301 -10.961 0.734 1.00 0.43 H new ATOM 0 HB VAL A 40 -7.572 -13.160 0.404 1.00 51.22 H new ATOM 0 HG11 VAL A 40 -9.851 -13.293 1.375 1.00 74.42 H new ATOM 0 HG12 VAL A 40 -8.617 -13.211 2.654 1.00 74.42 H new ATOM 0 HG13 VAL A 40 -9.570 -11.766 2.244 1.00 74.42 H new ATOM 0 HG21 VAL A 40 -9.474 -12.120 -0.803 1.00 73.31 H new ATOM 0 HG22 VAL A 40 -9.195 -10.595 0.070 1.00 73.31 H new ATOM 0 HG23 VAL A 40 -7.972 -11.204 -1.070 1.00 73.31 H new ATOM 667 N PRO A 41 -7.418 -9.029 1.676 1.00 31.42 N ATOM 668 CA PRO A 41 -7.989 -7.800 2.283 1.00 42.05 C ATOM 669 C PRO A 41 -9.501 -7.739 2.068 1.00 12.33 C ATOM 670 O PRO A 41 -10.010 -8.164 1.049 1.00 73.30 O ATOM 671 CB PRO A 41 -7.295 -6.674 1.520 1.00 31.50 C ATOM 672 CG PRO A 41 -6.900 -7.286 0.215 1.00 44.30 C ATOM 673 CD PRO A 41 -6.615 -8.738 0.489 1.00 21.14 C ATOM 0 HA PRO A 41 -7.835 -7.748 3.361 1.00 42.05 H new ATOM 0 HB2 PRO A 41 -7.963 -5.825 1.373 1.00 31.50 H new ATOM 0 HB3 PRO A 41 -6.425 -6.305 2.064 1.00 31.50 H new ATOM 0 HG2 PRO A 41 -7.698 -7.180 -0.520 1.00 44.30 H new ATOM 0 HG3 PRO A 41 -6.021 -6.789 -0.195 1.00 44.30 H new ATOM 0 HD2 PRO A 41 -6.901 -9.368 -0.353 1.00 21.14 H new ATOM 0 HD3 PRO A 41 -5.554 -8.911 0.670 1.00 21.14 H new ATOM 681 N GLU A 42 -10.226 -7.209 3.014 1.00 11.05 N ATOM 682 CA GLU A 42 -11.704 -7.115 2.852 1.00 71.40 C ATOM 683 C GLU A 42 -12.037 -6.199 1.673 1.00 52.03 C ATOM 684 O GLU A 42 -13.129 -6.226 1.143 1.00 11.52 O ATOM 685 CB GLU A 42 -12.212 -6.510 4.161 1.00 21.11 C ATOM 686 CG GLU A 42 -13.695 -6.845 4.336 1.00 33.34 C ATOM 687 CD GLU A 42 -13.846 -8.328 4.677 1.00 34.02 C ATOM 688 OE1 GLU A 42 -12.850 -8.940 5.025 1.00 32.52 O ATOM 689 OE2 GLU A 42 -14.956 -8.826 4.583 1.00 35.33 O ATOM 0 H GLU A 42 -9.860 -6.838 3.891 1.00 11.05 H new ATOM 0 HA GLU A 42 -12.163 -8.083 2.650 1.00 71.40 H new ATOM 0 HB2 GLU A 42 -11.638 -6.901 5.001 1.00 21.11 H new ATOM 0 HB3 GLU A 42 -12.071 -5.429 4.154 1.00 21.11 H new ATOM 0 HG2 GLU A 42 -14.126 -6.233 5.128 1.00 33.34 H new ATOM 0 HG3 GLU A 42 -14.241 -6.614 3.422 1.00 33.34 H new ATOM 696 N GLU A 43 -11.099 -5.394 1.255 1.00 34.40 N ATOM 697 CA GLU A 43 -11.358 -4.482 0.105 1.00 22.21 C ATOM 698 C GLU A 43 -11.428 -5.294 -1.186 1.00 54.13 C ATOM 699 O GLU A 43 -12.230 -5.028 -2.059 1.00 1.32 O ATOM 700 CB GLU A 43 -10.162 -3.528 0.074 1.00 73.14 C ATOM 701 CG GLU A 43 -10.144 -2.687 1.354 1.00 4.31 C ATOM 702 CD GLU A 43 -8.720 -2.190 1.613 1.00 72.21 C ATOM 703 OE1 GLU A 43 -7.837 -2.560 0.858 1.00 53.23 O ATOM 704 OE2 GLU A 43 -8.538 -1.449 2.565 1.00 64.12 O ATOM 0 H GLU A 43 -10.165 -5.328 1.660 1.00 34.40 H new ATOM 0 HA GLU A 43 -12.300 -3.943 0.203 1.00 22.21 H new ATOM 0 HB2 GLU A 43 -9.235 -4.094 -0.015 1.00 73.14 H new ATOM 0 HB3 GLU A 43 -10.224 -2.879 -0.799 1.00 73.14 H new ATOM 0 HG2 GLU A 43 -10.825 -1.841 1.257 1.00 4.31 H new ATOM 0 HG3 GLU A 43 -10.493 -3.281 2.198 1.00 4.31 H new ATOM 711 N LEU A 44 -10.593 -6.289 -1.306 1.00 11.52 N ATOM 712 CA LEU A 44 -10.607 -7.131 -2.535 1.00 32.43 C ATOM 713 C LEU A 44 -11.574 -8.301 -2.351 1.00 11.13 C ATOM 714 O LEU A 44 -12.419 -8.556 -3.186 1.00 42.03 O ATOM 715 CB LEU A 44 -9.173 -7.640 -2.680 1.00 64.41 C ATOM 716 CG LEU A 44 -8.856 -7.865 -4.158 1.00 1.14 C ATOM 717 CD1 LEU A 44 -7.577 -7.110 -4.526 1.00 71.51 C ATOM 718 CD2 LEU A 44 -8.656 -9.361 -4.412 1.00 52.04 C ATOM 0 H LEU A 44 -9.901 -6.555 -0.605 1.00 11.52 H new ATOM 0 HA LEU A 44 -10.933 -6.579 -3.416 1.00 32.43 H new ATOM 0 HB2 LEU A 44 -8.476 -6.919 -2.254 1.00 64.41 H new ATOM 0 HB3 LEU A 44 -9.049 -8.570 -2.125 1.00 64.41 H new ATOM 0 HG LEU A 44 -9.682 -7.499 -4.768 1.00 1.14 H new ATOM 0 HD11 LEU A 44 -7.350 -7.270 -5.580 1.00 71.51 H new ATOM 0 HD12 LEU A 44 -7.718 -6.045 -4.343 1.00 71.51 H new ATOM 0 HD13 LEU A 44 -6.750 -7.477 -3.917 1.00 71.51 H new ATOM 0 HD21 LEU A 44 -8.430 -9.524 -5.466 1.00 52.04 H new ATOM 0 HD22 LEU A 44 -7.829 -9.726 -3.803 1.00 52.04 H new ATOM 0 HD23 LEU A 44 -9.566 -9.900 -4.149 1.00 52.04 H new ATOM 730 N MET A 45 -11.459 -9.013 -1.261 1.00 1.22 N ATOM 731 CA MET A 45 -12.376 -10.161 -1.026 1.00 54.22 C ATOM 732 C MET A 45 -13.829 -9.697 -1.136 1.00 70.50 C ATOM 733 O MET A 45 -14.723 -10.478 -1.398 1.00 74.33 O ATOM 734 CB MET A 45 -12.068 -10.636 0.395 1.00 42.11 C ATOM 735 CG MET A 45 -13.023 -11.772 0.767 1.00 23.12 C ATOM 736 SD MET A 45 -12.199 -12.907 1.911 1.00 21.33 S ATOM 737 CE MET A 45 -11.597 -14.082 0.673 1.00 3.03 C ATOM 0 H MET A 45 -10.771 -8.848 -0.526 1.00 1.22 H new ATOM 0 HA MET A 45 -12.238 -10.959 -1.756 1.00 54.22 H new ATOM 0 HB2 MET A 45 -11.035 -10.978 0.461 1.00 42.11 H new ATOM 0 HB3 MET A 45 -12.176 -9.810 1.098 1.00 42.11 H new ATOM 0 HG2 MET A 45 -13.925 -11.367 1.227 1.00 23.12 H new ATOM 0 HG3 MET A 45 -13.335 -12.307 -0.130 1.00 23.12 H new ATOM 0 HE1 MET A 45 -10.800 -14.688 1.104 1.00 3.03 H new ATOM 0 HE2 MET A 45 -12.415 -14.729 0.357 1.00 3.03 H new ATOM 0 HE3 MET A 45 -11.212 -13.537 -0.189 1.00 3.03 H new ATOM 747 N LYS A 46 -14.068 -8.428 -0.944 1.00 41.34 N ATOM 748 CA LYS A 46 -15.463 -7.913 -1.045 1.00 11.14 C ATOM 749 C LYS A 46 -16.097 -8.397 -2.350 1.00 64.33 C ATOM 750 O LYS A 46 -17.244 -8.797 -2.384 1.00 64.12 O ATOM 751 CB LYS A 46 -15.328 -6.392 -1.043 1.00 3.34 C ATOM 752 CG LYS A 46 -16.719 -5.756 -1.122 1.00 45.23 C ATOM 753 CD LYS A 46 -17.322 -5.676 0.282 1.00 52.40 C ATOM 754 CE LYS A 46 -17.558 -4.209 0.651 1.00 33.21 C ATOM 755 NZ LYS A 46 -17.126 -4.099 2.072 1.00 71.25 N ATOM 0 H LYS A 46 -13.360 -7.728 -0.722 1.00 41.34 H new ATOM 0 HA LYS A 46 -16.097 -8.260 -0.229 1.00 11.14 H new ATOM 0 HB2 LYS A 46 -14.817 -6.063 -0.138 1.00 3.34 H new ATOM 0 HB3 LYS A 46 -14.720 -6.069 -1.888 1.00 3.34 H new ATOM 0 HG2 LYS A 46 -16.651 -4.759 -1.558 1.00 45.23 H new ATOM 0 HG3 LYS A 46 -17.364 -6.345 -1.774 1.00 45.23 H new ATOM 0 HD2 LYS A 46 -18.262 -6.227 0.318 1.00 52.40 H new ATOM 0 HD3 LYS A 46 -16.652 -6.141 1.005 1.00 52.40 H new ATOM 0 HE2 LYS A 46 -16.981 -3.542 0.010 1.00 33.21 H new ATOM 0 HE3 LYS A 46 -18.607 -3.936 0.534 1.00 33.21 H new ATOM 0 HZ1 LYS A 46 -17.257 -3.121 2.400 1.00 71.25 H new ATOM 0 HZ2 LYS A 46 -17.697 -4.740 2.659 1.00 71.25 H new ATOM 0 HZ3 LYS A 46 -16.122 -4.359 2.151 1.00 71.25 H new ATOM 769 N GLY A 47 -15.354 -8.370 -3.422 1.00 63.22 N ATOM 770 CA GLY A 47 -15.907 -8.839 -4.722 1.00 44.35 C ATOM 771 C GLY A 47 -16.107 -10.352 -4.659 1.00 11.24 C ATOM 772 O GLY A 47 -17.095 -10.882 -5.126 1.00 43.21 O ATOM 0 H GLY A 47 -14.388 -8.043 -3.453 1.00 63.22 H new ATOM 0 HA2 GLY A 47 -16.855 -8.342 -4.929 1.00 44.35 H new ATOM 0 HA3 GLY A 47 -15.228 -8.582 -5.535 1.00 44.35 H new ATOM 776 N PHE A 48 -15.170 -11.051 -4.073 1.00 75.14 N ATOM 777 CA PHE A 48 -15.299 -12.532 -3.964 1.00 43.10 C ATOM 778 C PHE A 48 -16.391 -12.886 -2.950 1.00 43.03 C ATOM 779 O PHE A 48 -17.339 -13.581 -3.260 1.00 74.40 O ATOM 780 CB PHE A 48 -13.930 -13.005 -3.468 1.00 51.21 C ATOM 781 CG PHE A 48 -13.551 -14.286 -4.172 1.00 21.13 C ATOM 782 CD1 PHE A 48 -14.449 -15.359 -4.205 1.00 62.21 C ATOM 783 CD2 PHE A 48 -12.301 -14.401 -4.792 1.00 12.41 C ATOM 784 CE1 PHE A 48 -14.098 -16.546 -4.856 1.00 11.22 C ATOM 785 CE2 PHE A 48 -11.948 -15.586 -5.443 1.00 42.41 C ATOM 786 CZ PHE A 48 -12.848 -16.661 -5.477 1.00 34.03 C ATOM 0 H PHE A 48 -14.321 -10.659 -3.665 1.00 75.14 H new ATOM 0 HA PHE A 48 -15.576 -13.001 -4.908 1.00 43.10 H new ATOM 0 HB2 PHE A 48 -13.179 -12.238 -3.657 1.00 51.21 H new ATOM 0 HB3 PHE A 48 -13.958 -13.165 -2.390 1.00 51.21 H new ATOM 0 HD1 PHE A 48 -15.414 -15.270 -3.727 1.00 62.21 H new ATOM 0 HD2 PHE A 48 -11.609 -13.573 -4.767 1.00 12.41 H new ATOM 0 HE1 PHE A 48 -14.791 -17.374 -4.880 1.00 11.22 H new ATOM 0 HE2 PHE A 48 -10.983 -15.674 -5.920 1.00 42.41 H new ATOM 0 HZ PHE A 48 -12.577 -17.577 -5.982 1.00 34.03 H new ATOM 796 N GLY A 49 -16.267 -12.408 -1.741 1.00 20.12 N ATOM 797 CA GLY A 49 -17.294 -12.707 -0.706 1.00 11.10 C ATOM 798 C GLY A 49 -17.165 -14.162 -0.257 1.00 64.52 C ATOM 799 O GLY A 49 -16.251 -14.524 0.457 1.00 30.42 O ATOM 0 H GLY A 49 -15.495 -11.821 -1.426 1.00 20.12 H new ATOM 0 HA2 GLY A 49 -17.169 -12.041 0.147 1.00 11.10 H new ATOM 0 HA3 GLY A 49 -18.291 -12.527 -1.107 1.00 11.10 H new ATOM 803 N GLN A 50 -18.075 -14.999 -0.669 1.00 2.13 N ATOM 804 CA GLN A 50 -18.009 -16.433 -0.266 1.00 41.40 C ATOM 805 C GLN A 50 -17.438 -17.273 -1.408 1.00 72.12 C ATOM 806 O GLN A 50 -18.105 -17.528 -2.391 1.00 43.30 O ATOM 807 CB GLN A 50 -19.459 -16.829 0.020 1.00 33.03 C ATOM 808 CG GLN A 50 -19.733 -16.716 1.520 1.00 52.42 C ATOM 809 CD GLN A 50 -19.805 -15.241 1.917 1.00 64.03 C ATOM 810 OE1 GLN A 50 -18.703 -14.597 2.198 1.00 43.32 O flip ATOM 811 NE2 GLN A 50 -20.873 -14.667 1.973 1.00 43.05 N flip ATOM 0 H GLN A 50 -18.863 -14.753 -1.268 1.00 2.13 H new ATOM 0 HA GLN A 50 -17.365 -16.593 0.599 1.00 41.40 H new ATOM 0 HB2 GLN A 50 -20.140 -16.183 -0.534 1.00 33.03 H new ATOM 0 HB3 GLN A 50 -19.642 -17.849 -0.318 1.00 33.03 H new ATOM 0 HG2 GLN A 50 -20.669 -17.216 1.768 1.00 52.42 H new ATOM 0 HG3 GLN A 50 -18.945 -17.217 2.083 1.00 52.42 H new ATOM 0 HE21 GLN A 50 -21.734 -15.169 1.754 1.00 43.05 H new ATOM 0 HE22 GLN A 50 -20.910 -13.683 2.239 1.00 43.05 H new ATOM 820 N PRO A 51 -16.207 -17.676 -1.240 1.00 62.31 N ATOM 821 CA PRO A 51 -15.525 -18.495 -2.270 1.00 55.40 C ATOM 822 C PRO A 51 -16.045 -19.935 -2.241 1.00 11.11 C ATOM 823 O PRO A 51 -16.588 -20.390 -1.254 1.00 23.40 O ATOM 824 CB PRO A 51 -14.058 -18.440 -1.853 1.00 34.12 C ATOM 825 CG PRO A 51 -14.077 -18.164 -0.383 1.00 32.41 C ATOM 826 CD PRO A 51 -15.344 -17.406 -0.083 1.00 51.40 C ATOM 0 HA PRO A 51 -15.691 -18.133 -3.285 1.00 55.40 H new ATOM 0 HB2 PRO A 51 -13.552 -19.380 -2.070 1.00 34.12 H new ATOM 0 HB3 PRO A 51 -13.524 -17.658 -2.393 1.00 34.12 H new ATOM 0 HG2 PRO A 51 -14.044 -19.095 0.183 1.00 32.41 H new ATOM 0 HG3 PRO A 51 -13.203 -17.582 -0.090 1.00 32.41 H new ATOM 0 HD2 PRO A 51 -15.803 -17.748 0.845 1.00 51.40 H new ATOM 0 HD3 PRO A 51 -15.152 -16.339 0.031 1.00 51.40 H new ATOM 834 N GLN A 52 -15.877 -20.653 -3.317 1.00 24.51 N ATOM 835 CA GLN A 52 -16.358 -22.066 -3.354 1.00 51.31 C ATOM 836 C GLN A 52 -15.272 -22.975 -3.934 1.00 53.04 C ATOM 837 O GLN A 52 -14.339 -22.516 -4.564 1.00 74.24 O ATOM 838 CB GLN A 52 -17.586 -22.047 -4.265 1.00 2.00 C ATOM 839 CG GLN A 52 -18.493 -20.875 -3.882 1.00 72.24 C ATOM 840 CD GLN A 52 -18.903 -21.005 -2.412 1.00 10.13 C ATOM 841 OE1 GLN A 52 -18.904 -22.088 -1.863 1.00 43.10 O ATOM 842 NE2 GLN A 52 -19.257 -19.936 -1.751 1.00 62.13 N ATOM 0 H GLN A 52 -15.428 -20.324 -4.172 1.00 24.51 H new ATOM 0 HA GLN A 52 -16.597 -22.447 -2.361 1.00 51.31 H new ATOM 0 HB2 GLN A 52 -17.277 -21.955 -5.306 1.00 2.00 H new ATOM 0 HB3 GLN A 52 -18.132 -22.986 -4.176 1.00 2.00 H new ATOM 0 HG2 GLN A 52 -17.973 -19.931 -4.043 1.00 72.24 H new ATOM 0 HG3 GLN A 52 -19.378 -20.864 -4.518 1.00 72.24 H new ATOM 0 HE21 GLN A 52 -19.256 -19.027 -2.213 1.00 62.13 H new ATOM 0 HE22 GLN A 52 -19.535 -20.010 -0.772 1.00 62.13 H new ATOM 851 N LEU A 53 -15.382 -24.259 -3.730 1.00 30.51 N ATOM 852 CA LEU A 53 -14.353 -25.192 -4.272 1.00 34.51 C ATOM 853 C LEU A 53 -14.774 -25.688 -5.659 1.00 51.21 C ATOM 854 O LEU A 53 -15.627 -26.543 -5.790 1.00 13.15 O ATOM 855 CB LEU A 53 -14.307 -26.351 -3.274 1.00 63.34 C ATOM 856 CG LEU A 53 -12.901 -26.954 -3.242 1.00 14.04 C ATOM 857 CD1 LEU A 53 -12.605 -27.637 -4.579 1.00 44.34 C ATOM 858 CD2 LEU A 53 -11.872 -25.850 -2.995 1.00 12.13 C ATOM 0 H LEU A 53 -16.140 -24.703 -3.211 1.00 30.51 H new ATOM 0 HA LEU A 53 -13.379 -24.717 -4.387 1.00 34.51 H new ATOM 0 HB2 LEU A 53 -14.584 -25.998 -2.280 1.00 63.34 H new ATOM 0 HB3 LEU A 53 -15.033 -27.114 -3.555 1.00 63.34 H new ATOM 0 HG LEU A 53 -12.843 -27.688 -2.438 1.00 14.04 H new ATOM 0 HD11 LEU A 53 -11.603 -28.066 -4.555 1.00 44.34 H new ATOM 0 HD12 LEU A 53 -13.334 -28.428 -4.753 1.00 44.34 H new ATOM 0 HD13 LEU A 53 -12.666 -26.904 -5.383 1.00 44.34 H new ATOM 0 HD21 LEU A 53 -10.872 -26.283 -2.973 1.00 12.13 H new ATOM 0 HD22 LEU A 53 -11.930 -25.112 -3.795 1.00 12.13 H new ATOM 0 HD23 LEU A 53 -12.079 -25.366 -2.040 1.00 12.13 H new ATOM 870 N ALA A 54 -14.184 -25.152 -6.695 1.00 50.23 N ATOM 871 CA ALA A 54 -14.555 -25.590 -8.070 1.00 31.21 C ATOM 872 C ALA A 54 -13.601 -26.684 -8.557 1.00 33.22 C ATOM 873 O ALA A 54 -14.020 -27.738 -8.991 1.00 50.03 O ATOM 874 CB ALA A 54 -14.416 -24.335 -8.933 1.00 22.41 C ATOM 0 H ALA A 54 -13.463 -24.432 -6.647 1.00 50.23 H new ATOM 0 HA ALA A 54 -15.561 -26.008 -8.112 1.00 31.21 H new ATOM 0 HB1 ALA A 54 -14.672 -24.573 -9.965 1.00 22.41 H new ATOM 0 HB2 ALA A 54 -15.088 -23.562 -8.561 1.00 22.41 H new ATOM 0 HB3 ALA A 54 -13.388 -23.975 -8.888 1.00 22.41 H new ATOM 880 N MET A 55 -12.320 -26.440 -8.489 1.00 11.30 N ATOM 881 CA MET A 55 -11.343 -27.465 -8.951 1.00 22.25 C ATOM 882 C MET A 55 -10.103 -27.458 -8.053 1.00 72.14 C ATOM 883 O MET A 55 -9.625 -26.416 -7.649 1.00 52.00 O ATOM 884 CB MET A 55 -10.974 -27.049 -10.374 1.00 32.41 C ATOM 885 CG MET A 55 -11.224 -28.217 -11.331 1.00 5.34 C ATOM 886 SD MET A 55 -12.831 -28.001 -12.139 1.00 20.03 S ATOM 887 CE MET A 55 -12.641 -29.308 -13.378 1.00 72.41 C ATOM 0 H MET A 55 -11.909 -25.576 -8.134 1.00 11.30 H new ATOM 0 HA MET A 55 -11.756 -28.473 -8.915 1.00 22.25 H new ATOM 0 HB2 MET A 55 -11.566 -26.185 -10.676 1.00 32.41 H new ATOM 0 HB3 MET A 55 -9.927 -26.749 -10.416 1.00 32.41 H new ATOM 0 HG2 MET A 55 -10.432 -28.265 -12.079 1.00 5.34 H new ATOM 0 HG3 MET A 55 -11.203 -29.160 -10.785 1.00 5.34 H new ATOM 0 HE1 MET A 55 -13.535 -29.353 -14.000 1.00 72.41 H new ATOM 0 HE2 MET A 55 -11.775 -29.093 -14.004 1.00 72.41 H new ATOM 0 HE3 MET A 55 -12.499 -30.266 -12.878 1.00 72.41 H new ATOM 897 N ILE A 56 -9.580 -28.610 -7.740 1.00 52.50 N ATOM 898 CA ILE A 56 -8.372 -28.667 -6.871 1.00 34.34 C ATOM 899 C ILE A 56 -7.160 -29.130 -7.684 1.00 72.23 C ATOM 900 O ILE A 56 -7.220 -30.103 -8.408 1.00 73.12 O ATOM 901 CB ILE A 56 -8.712 -29.686 -5.784 1.00 14.15 C ATOM 902 CG1 ILE A 56 -9.910 -29.183 -4.975 1.00 34.51 C ATOM 903 CG2 ILE A 56 -7.509 -29.864 -4.855 1.00 2.33 C ATOM 904 CD1 ILE A 56 -10.616 -30.367 -4.313 1.00 32.12 C ATOM 0 H ILE A 56 -9.937 -29.515 -8.048 1.00 52.50 H new ATOM 0 HA ILE A 56 -8.119 -27.694 -6.450 1.00 34.34 H new ATOM 0 HB ILE A 56 -8.958 -30.642 -6.246 1.00 14.15 H new ATOM 0 HG12 ILE A 56 -9.578 -28.474 -4.216 1.00 34.51 H new ATOM 0 HG13 ILE A 56 -10.604 -28.651 -5.626 1.00 34.51 H new ATOM 0 HG21 ILE A 56 -7.752 -30.591 -4.080 1.00 2.33 H new ATOM 0 HG22 ILE A 56 -6.654 -30.219 -5.431 1.00 2.33 H new ATOM 0 HG23 ILE A 56 -7.262 -28.909 -4.392 1.00 2.33 H new ATOM 0 HD11 ILE A 56 -11.469 -30.007 -3.737 1.00 32.12 H new ATOM 0 HD12 ILE A 56 -10.963 -31.059 -5.080 1.00 32.12 H new ATOM 0 HD13 ILE A 56 -9.921 -30.880 -3.649 1.00 32.12 H new ATOM 916 N LEU A 57 -6.060 -28.437 -7.570 1.00 14.04 N ATOM 917 CA LEU A 57 -4.845 -28.831 -8.338 1.00 1.14 C ATOM 918 C LEU A 57 -3.907 -29.664 -7.455 1.00 31.14 C ATOM 919 O LEU A 57 -3.466 -29.209 -6.418 1.00 13.25 O ATOM 920 CB LEU A 57 -4.185 -27.510 -8.730 1.00 44.22 C ATOM 921 CG LEU A 57 -2.841 -27.792 -9.401 1.00 73.31 C ATOM 922 CD1 LEU A 57 -2.870 -27.277 -10.841 1.00 73.30 C ATOM 923 CD2 LEU A 57 -1.727 -27.081 -8.627 1.00 11.31 C ATOM 0 H LEU A 57 -5.950 -27.614 -6.977 1.00 14.04 H new ATOM 0 HA LEU A 57 -5.083 -29.442 -9.208 1.00 1.14 H new ATOM 0 HB2 LEU A 57 -4.833 -26.955 -9.408 1.00 44.22 H new ATOM 0 HB3 LEU A 57 -4.039 -26.888 -7.847 1.00 44.22 H new ATOM 0 HG LEU A 57 -2.655 -28.866 -9.404 1.00 73.31 H new ATOM 0 HD11 LEU A 57 -1.911 -27.478 -11.319 1.00 73.30 H new ATOM 0 HD12 LEU A 57 -3.663 -27.782 -11.392 1.00 73.30 H new ATOM 0 HD13 LEU A 57 -3.056 -26.203 -10.840 1.00 73.30 H new ATOM 0 HD21 LEU A 57 -0.768 -27.281 -9.104 1.00 11.31 H new ATOM 0 HD22 LEU A 57 -1.914 -26.007 -8.624 1.00 11.31 H new ATOM 0 HD23 LEU A 57 -1.705 -27.448 -7.601 1.00 11.31 H new ATOM 935 N PRO A 58 -3.634 -30.861 -7.901 1.00 63.11 N ATOM 936 CA PRO A 58 -2.738 -31.772 -7.147 1.00 52.12 C ATOM 937 C PRO A 58 -1.280 -31.324 -7.287 1.00 34.31 C ATOM 938 O PRO A 58 -0.993 -30.281 -7.843 1.00 21.43 O ATOM 939 CB PRO A 58 -2.950 -33.125 -7.822 1.00 5.51 C ATOM 940 CG PRO A 58 -3.409 -32.796 -9.208 1.00 60.41 C ATOM 941 CD PRO A 58 -4.130 -31.473 -9.138 1.00 44.14 C ATOM 0 HA PRO A 58 -2.953 -31.793 -6.079 1.00 52.12 H new ATOM 0 HB2 PRO A 58 -2.028 -33.707 -7.839 1.00 5.51 H new ATOM 0 HB3 PRO A 58 -3.693 -33.720 -7.290 1.00 5.51 H new ATOM 0 HG2 PRO A 58 -2.561 -32.736 -9.890 1.00 60.41 H new ATOM 0 HG3 PRO A 58 -4.070 -33.574 -9.589 1.00 60.41 H new ATOM 0 HD2 PRO A 58 -3.909 -30.852 -10.006 1.00 44.14 H new ATOM 0 HD3 PRO A 58 -5.211 -31.609 -9.110 1.00 44.14 H new ATOM 949 N LEU A 59 -0.357 -32.101 -6.791 1.00 55.14 N ATOM 950 CA LEU A 59 1.080 -31.717 -6.904 1.00 72.14 C ATOM 951 C LEU A 59 1.827 -32.715 -7.788 1.00 25.31 C ATOM 952 O LEU A 59 2.877 -33.214 -7.435 1.00 71.41 O ATOM 953 CB LEU A 59 1.621 -31.777 -5.483 1.00 44.05 C ATOM 954 CG LEU A 59 1.574 -33.222 -4.980 1.00 4.20 C ATOM 955 CD1 LEU A 59 2.889 -33.563 -4.282 1.00 72.13 C ATOM 956 CD2 LEU A 59 0.416 -33.382 -3.993 1.00 22.11 C ATOM 0 H LEU A 59 -0.534 -32.984 -6.313 1.00 55.14 H new ATOM 0 HA LEU A 59 1.204 -30.731 -7.352 1.00 72.14 H new ATOM 0 HB2 LEU A 59 2.645 -31.404 -5.456 1.00 44.05 H new ATOM 0 HB3 LEU A 59 1.031 -31.134 -4.830 1.00 44.05 H new ATOM 0 HG LEU A 59 1.427 -33.895 -5.825 1.00 4.20 H new ATOM 0 HD11 LEU A 59 2.855 -34.592 -3.924 1.00 72.13 H new ATOM 0 HD12 LEU A 59 3.714 -33.451 -4.985 1.00 72.13 H new ATOM 0 HD13 LEU A 59 3.038 -32.890 -3.438 1.00 72.13 H new ATOM 0 HD21 LEU A 59 0.383 -34.411 -3.635 1.00 22.11 H new ATOM 0 HD22 LEU A 59 0.562 -32.708 -3.149 1.00 22.11 H new ATOM 0 HD23 LEU A 59 -0.523 -33.141 -4.491 1.00 22.11 H new ATOM 968 N ASP A 60 1.292 -33.002 -8.934 1.00 24.12 N ATOM 969 CA ASP A 60 1.959 -33.964 -9.854 1.00 73.31 C ATOM 970 C ASP A 60 2.155 -33.318 -11.226 1.00 52.11 C ATOM 971 O ASP A 60 3.267 -33.115 -11.675 1.00 61.23 O ATOM 972 CB ASP A 60 1.000 -35.154 -9.938 1.00 13.42 C ATOM 973 CG ASP A 60 1.745 -36.375 -10.482 1.00 74.05 C ATOM 974 OD1 ASP A 60 2.338 -36.260 -11.541 1.00 31.34 O ATOM 975 OD2 ASP A 60 1.709 -37.405 -9.829 1.00 52.13 O ATOM 0 H ASP A 60 0.415 -32.611 -9.279 1.00 24.12 H new ATOM 0 HA ASP A 60 2.946 -34.268 -9.505 1.00 73.31 H new ATOM 0 HB2 ASP A 60 0.590 -35.374 -8.952 1.00 13.42 H new ATOM 0 HB3 ASP A 60 0.158 -34.911 -10.586 1.00 13.42 H new ATOM 980 N GLY A 61 1.087 -32.979 -11.893 1.00 54.11 N ATOM 981 CA GLY A 61 1.215 -32.333 -13.228 1.00 51.40 C ATOM 982 C GLY A 61 1.243 -30.814 -13.045 1.00 35.25 C ATOM 983 O GLY A 61 0.230 -30.191 -12.794 1.00 4.14 O ATOM 0 H GLY A 61 0.130 -33.122 -11.570 1.00 54.11 H new ATOM 0 HA2 GLY A 61 2.126 -32.669 -13.723 1.00 51.40 H new ATOM 0 HA3 GLY A 61 0.380 -32.620 -13.867 1.00 51.40 H new ATOM 987 N ARG A 62 2.395 -30.211 -13.158 1.00 72.43 N ATOM 988 CA ARG A 62 2.483 -28.734 -12.978 1.00 1.20 C ATOM 989 C ARG A 62 2.281 -28.018 -14.316 1.00 44.42 C ATOM 990 O ARG A 62 3.197 -27.881 -15.102 1.00 22.21 O ATOM 991 CB ARG A 62 3.893 -28.484 -12.445 1.00 63.14 C ATOM 992 CG ARG A 62 3.896 -27.221 -11.580 1.00 71.14 C ATOM 993 CD ARG A 62 5.341 -26.813 -11.282 1.00 63.42 C ATOM 994 NE ARG A 62 5.797 -26.096 -12.503 1.00 33.25 N ATOM 995 CZ ARG A 62 6.804 -25.269 -12.437 1.00 33.51 C ATOM 996 NH1 ARG A 62 6.884 -24.415 -11.453 1.00 23.21 N ATOM 997 NH2 ARG A 62 7.733 -25.296 -13.353 1.00 61.51 N ATOM 0 H ARG A 62 3.278 -30.677 -13.367 1.00 72.43 H new ATOM 0 HA ARG A 62 1.716 -28.357 -12.301 1.00 1.20 H new ATOM 0 HB2 ARG A 62 4.229 -29.340 -11.859 1.00 63.14 H new ATOM 0 HB3 ARG A 62 4.592 -28.371 -13.274 1.00 63.14 H new ATOM 0 HG2 ARG A 62 3.377 -26.413 -12.095 1.00 71.14 H new ATOM 0 HG3 ARG A 62 3.358 -27.403 -10.649 1.00 71.14 H new ATOM 0 HD2 ARG A 62 5.397 -26.171 -10.403 1.00 63.42 H new ATOM 0 HD3 ARG A 62 5.964 -27.684 -11.080 1.00 63.42 H new ATOM 0 HE ARG A 62 5.322 -26.251 -13.392 1.00 33.25 H new ATOM 0 HH11 ARG A 62 6.159 -24.394 -10.736 1.00 23.21 H new ATOM 0 HH12 ARG A 62 7.671 -23.769 -11.402 1.00 23.21 H new ATOM 0 HH21 ARG A 62 7.672 -25.964 -14.121 1.00 61.51 H new ATOM 0 HH22 ARG A 62 8.520 -24.649 -13.301 1.00 61.51 H new ATOM 1011 N LYS A 63 1.088 -27.556 -14.576 1.00 74.04 N ATOM 1012 CA LYS A 63 0.828 -26.843 -15.858 1.00 61.23 C ATOM 1013 C LYS A 63 0.198 -25.476 -15.577 1.00 74.13 C ATOM 1014 O LYS A 63 -0.393 -25.258 -14.538 1.00 71.22 O ATOM 1015 CB LYS A 63 -0.151 -27.741 -16.618 1.00 60.03 C ATOM 1016 CG LYS A 63 0.500 -28.221 -17.916 1.00 11.01 C ATOM 1017 CD LYS A 63 -0.093 -27.454 -19.101 1.00 44.21 C ATOM 1018 CE LYS A 63 -0.045 -28.331 -20.355 1.00 63.31 C ATOM 1019 NZ LYS A 63 -1.279 -27.982 -21.113 1.00 51.30 N ATOM 0 H LYS A 63 0.283 -27.642 -13.956 1.00 74.04 H new ATOM 0 HA LYS A 63 1.740 -26.663 -16.428 1.00 61.23 H new ATOM 0 HB2 LYS A 63 -0.431 -28.595 -16.002 1.00 60.03 H new ATOM 0 HB3 LYS A 63 -1.067 -27.193 -16.839 1.00 60.03 H new ATOM 0 HG2 LYS A 63 1.578 -28.067 -17.873 1.00 11.01 H new ATOM 0 HG3 LYS A 63 0.336 -29.291 -18.043 1.00 11.01 H new ATOM 0 HD2 LYS A 63 -1.122 -27.168 -18.884 1.00 44.21 H new ATOM 0 HD3 LYS A 63 0.465 -26.533 -19.267 1.00 44.21 H new ATOM 0 HE2 LYS A 63 0.850 -28.131 -20.943 1.00 63.31 H new ATOM 0 HE3 LYS A 63 -0.026 -29.390 -20.096 1.00 63.31 H new ATOM 0 HZ1 LYS A 63 -1.319 -28.543 -21.988 1.00 51.30 H new ATOM 0 HZ2 LYS A 63 -2.115 -28.190 -20.530 1.00 51.30 H new ATOM 0 HZ3 LYS A 63 -1.266 -26.970 -21.351 1.00 51.30 H new ATOM 1033 N LYS A 64 0.323 -24.553 -16.490 1.00 71.12 N ATOM 1034 CA LYS A 64 -0.268 -23.203 -16.263 1.00 14.41 C ATOM 1035 C LYS A 64 -1.772 -23.231 -16.545 1.00 44.22 C ATOM 1036 O LYS A 64 -2.249 -24.015 -17.340 1.00 75.34 O ATOM 1037 CB LYS A 64 0.451 -22.282 -17.252 1.00 13.30 C ATOM 1038 CG LYS A 64 -0.067 -22.542 -18.669 1.00 51.42 C ATOM 1039 CD LYS A 64 -0.809 -21.303 -19.174 1.00 11.13 C ATOM 1040 CE LYS A 64 -1.966 -21.732 -20.081 1.00 72.24 C ATOM 1041 NZ LYS A 64 -1.754 -20.985 -21.353 1.00 51.12 N ATOM 0 H LYS A 64 0.807 -24.673 -17.380 1.00 71.12 H new ATOM 0 HA LYS A 64 -0.146 -22.866 -15.234 1.00 14.41 H new ATOM 0 HB2 LYS A 64 0.286 -21.240 -16.979 1.00 13.30 H new ATOM 0 HB3 LYS A 64 1.526 -22.456 -17.210 1.00 13.30 H new ATOM 0 HG2 LYS A 64 0.764 -22.778 -19.334 1.00 51.42 H new ATOM 0 HG3 LYS A 64 -0.733 -23.405 -18.672 1.00 51.42 H new ATOM 0 HD2 LYS A 64 -1.189 -20.725 -18.331 1.00 11.13 H new ATOM 0 HD3 LYS A 64 -0.125 -20.655 -19.722 1.00 11.13 H new ATOM 0 HE2 LYS A 64 -1.958 -22.809 -20.249 1.00 72.24 H new ATOM 0 HE3 LYS A 64 -2.930 -21.487 -19.635 1.00 72.24 H new ATOM 0 HZ1 LYS A 64 -2.508 -21.226 -22.027 1.00 51.12 H new ATOM 0 HZ2 LYS A 64 -1.774 -19.963 -21.163 1.00 51.12 H new ATOM 0 HZ3 LYS A 64 -0.832 -21.244 -21.758 1.00 51.12 H new ATOM 1055 N LEU A 65 -2.520 -22.380 -15.900 1.00 44.41 N ATOM 1056 CA LEU A 65 -3.993 -22.358 -16.134 1.00 14.14 C ATOM 1057 C LEU A 65 -4.361 -21.174 -17.032 1.00 43.43 C ATOM 1058 O LEU A 65 -3.896 -20.068 -16.840 1.00 72.31 O ATOM 1059 CB LEU A 65 -4.621 -22.197 -14.747 1.00 54.10 C ATOM 1060 CG LEU A 65 -4.074 -23.261 -13.786 1.00 52.51 C ATOM 1061 CD1 LEU A 65 -3.951 -24.607 -14.506 1.00 54.33 C ATOM 1062 CD2 LEU A 65 -2.698 -22.829 -13.274 1.00 53.50 C ATOM 0 H LEU A 65 -2.177 -21.700 -15.222 1.00 44.41 H new ATOM 0 HA LEU A 65 -4.345 -23.261 -16.632 1.00 14.14 H new ATOM 0 HB2 LEU A 65 -4.408 -21.202 -14.357 1.00 54.10 H new ATOM 0 HB3 LEU A 65 -5.705 -22.285 -14.819 1.00 54.10 H new ATOM 0 HG LEU A 65 -4.761 -23.368 -12.946 1.00 52.51 H new ATOM 0 HD11 LEU A 65 -3.562 -25.355 -13.815 1.00 54.33 H new ATOM 0 HD12 LEU A 65 -4.932 -24.919 -14.864 1.00 54.33 H new ATOM 0 HD13 LEU A 65 -3.271 -24.506 -15.352 1.00 54.33 H new ATOM 0 HD21 LEU A 65 -2.310 -23.585 -12.591 1.00 53.50 H new ATOM 0 HD22 LEU A 65 -2.015 -22.716 -14.116 1.00 53.50 H new ATOM 0 HD23 LEU A 65 -2.787 -21.878 -12.749 1.00 53.50 H new ATOM 1074 N VAL A 66 -5.191 -21.397 -18.013 1.00 41.13 N ATOM 1075 CA VAL A 66 -5.585 -20.283 -18.923 1.00 44.03 C ATOM 1076 C VAL A 66 -6.017 -19.063 -18.107 1.00 32.25 C ATOM 1077 O VAL A 66 -6.003 -17.946 -18.590 1.00 73.31 O ATOM 1078 CB VAL A 66 -6.761 -20.829 -19.731 1.00 24.12 C ATOM 1079 CG1 VAL A 66 -7.971 -21.021 -18.814 1.00 70.23 C ATOM 1080 CG2 VAL A 66 -7.117 -19.836 -20.837 1.00 73.25 C ATOM 0 H VAL A 66 -5.613 -22.301 -18.224 1.00 41.13 H new ATOM 0 HA VAL A 66 -4.763 -19.963 -19.564 1.00 44.03 H new ATOM 0 HB VAL A 66 -6.485 -21.787 -20.171 1.00 24.12 H new ATOM 0 HG11 VAL A 66 -8.808 -21.411 -19.393 1.00 70.23 H new ATOM 0 HG12 VAL A 66 -7.719 -21.726 -18.022 1.00 70.23 H new ATOM 0 HG13 VAL A 66 -8.249 -20.064 -18.373 1.00 70.23 H new ATOM 0 HG21 VAL A 66 -7.956 -20.222 -21.416 1.00 73.25 H new ATOM 0 HG22 VAL A 66 -7.392 -18.880 -20.392 1.00 73.25 H new ATOM 0 HG23 VAL A 66 -6.257 -19.697 -21.492 1.00 73.25 H new ATOM 1090 N ASN A 67 -6.398 -19.264 -16.876 1.00 45.01 N ATOM 1091 CA ASN A 67 -6.833 -18.115 -16.029 1.00 40.33 C ATOM 1092 C ASN A 67 -5.630 -17.506 -15.305 1.00 2.11 C ATOM 1093 O ASN A 67 -5.274 -16.365 -15.524 1.00 63.24 O ATOM 1094 CB ASN A 67 -7.818 -18.716 -15.023 1.00 33.14 C ATOM 1095 CG ASN A 67 -8.781 -19.655 -15.749 1.00 40.11 C ATOM 1096 OD1 ASN A 67 -8.656 -20.861 -15.663 1.00 45.42 O ATOM 1097 ND2 ASN A 67 -9.750 -19.153 -16.466 1.00 2.24 N ATOM 0 H ASN A 67 -6.427 -20.175 -16.418 1.00 45.01 H new ATOM 0 HA ASN A 67 -7.286 -17.317 -16.616 1.00 40.33 H new ATOM 0 HB2 ASN A 67 -7.277 -19.261 -14.249 1.00 33.14 H new ATOM 0 HB3 ASN A 67 -8.374 -17.922 -14.524 1.00 33.14 H new ATOM 0 HD21 ASN A 67 -10.399 -19.772 -16.952 1.00 2.24 H new ATOM 0 HD22 ASN A 67 -9.858 -18.141 -16.541 1.00 2.24 H new ATOM 1104 N ALA A 68 -4.999 -18.259 -14.444 1.00 12.25 N ATOM 1105 CA ALA A 68 -3.818 -17.719 -13.708 1.00 2.32 C ATOM 1106 C ALA A 68 -2.617 -18.644 -13.884 1.00 1.21 C ATOM 1107 O ALA A 68 -2.761 -19.818 -14.167 1.00 43.31 O ATOM 1108 CB ALA A 68 -4.252 -17.673 -12.244 1.00 73.32 C ATOM 0 H ALA A 68 -5.249 -19.222 -14.219 1.00 12.25 H new ATOM 0 HA ALA A 68 -3.516 -16.738 -14.074 1.00 2.32 H new ATOM 0 HB1 ALA A 68 -3.436 -17.286 -11.634 1.00 73.32 H new ATOM 0 HB2 ALA A 68 -5.121 -17.023 -12.142 1.00 73.32 H new ATOM 0 HB3 ALA A 68 -4.510 -18.678 -11.909 1.00 73.32 H new ATOM 1114 N ASP A 69 -1.431 -18.130 -13.717 1.00 41.02 N ATOM 1115 CA ASP A 69 -0.226 -18.988 -13.872 1.00 11.23 C ATOM 1116 C ASP A 69 0.159 -19.586 -12.520 1.00 41.11 C ATOM 1117 O ASP A 69 0.611 -18.895 -11.627 1.00 62.13 O ATOM 1118 CB ASP A 69 0.870 -18.051 -14.378 1.00 73.00 C ATOM 1119 CG ASP A 69 0.512 -17.555 -15.781 1.00 32.24 C ATOM 1120 OD1 ASP A 69 -0.277 -16.628 -15.875 1.00 24.51 O ATOM 1121 OD2 ASP A 69 1.035 -18.107 -16.734 1.00 32.40 O ATOM 0 H ASP A 69 -1.245 -17.155 -13.481 1.00 41.02 H new ATOM 0 HA ASP A 69 -0.392 -19.819 -14.557 1.00 11.23 H new ATOM 0 HB2 ASP A 69 0.982 -17.205 -13.700 1.00 73.00 H new ATOM 0 HB3 ASP A 69 1.827 -18.572 -14.398 1.00 73.00 H new ATOM 1126 N ILE A 70 -0.021 -20.865 -12.362 1.00 53.33 N ATOM 1127 CA ILE A 70 0.329 -21.514 -11.066 1.00 72.33 C ATOM 1128 C ILE A 70 1.715 -21.049 -10.599 1.00 62.22 C ATOM 1129 O ILE A 70 1.963 -20.890 -9.421 1.00 2.13 O ATOM 1130 CB ILE A 70 0.309 -23.022 -11.364 1.00 11.43 C ATOM 1131 CG1 ILE A 70 -0.093 -23.781 -10.098 1.00 74.41 C ATOM 1132 CG2 ILE A 70 1.693 -23.499 -11.827 1.00 61.42 C ATOM 1133 CD1 ILE A 70 0.705 -23.252 -8.904 1.00 73.01 C ATOM 0 H ILE A 70 -0.396 -21.492 -13.074 1.00 53.33 H new ATOM 0 HA ILE A 70 -0.364 -21.258 -10.264 1.00 72.33 H new ATOM 0 HB ILE A 70 -0.411 -23.214 -12.159 1.00 11.43 H new ATOM 0 HG12 ILE A 70 -1.161 -23.663 -9.915 1.00 74.41 H new ATOM 0 HG13 ILE A 70 0.092 -24.847 -10.228 1.00 74.41 H new ATOM 0 HG21 ILE A 70 1.659 -24.569 -12.033 1.00 61.42 H new ATOM 0 HG22 ILE A 70 1.978 -22.964 -12.733 1.00 61.42 H new ATOM 0 HG23 ILE A 70 2.426 -23.303 -11.044 1.00 61.42 H new ATOM 0 HD11 ILE A 70 0.416 -23.795 -8.004 1.00 73.01 H new ATOM 0 HD12 ILE A 70 1.770 -23.393 -9.087 1.00 73.01 H new ATOM 0 HD13 ILE A 70 0.498 -22.190 -8.770 1.00 73.01 H new ATOM 1145 N GLU A 71 2.617 -20.834 -11.517 1.00 41.13 N ATOM 1146 CA GLU A 71 3.985 -20.382 -11.132 1.00 10.02 C ATOM 1147 C GLU A 71 3.928 -18.971 -10.545 1.00 2.52 C ATOM 1148 O GLU A 71 4.460 -18.707 -9.486 1.00 31.03 O ATOM 1149 CB GLU A 71 4.786 -20.391 -12.435 1.00 71.42 C ATOM 1150 CG GLU A 71 4.865 -21.821 -12.971 1.00 3.33 C ATOM 1151 CD GLU A 71 5.293 -21.794 -14.440 1.00 62.21 C ATOM 1152 OE1 GLU A 71 4.625 -21.134 -15.220 1.00 41.34 O ATOM 1153 OE2 GLU A 71 6.282 -22.434 -14.760 1.00 62.12 O ATOM 0 H GLU A 71 2.466 -20.952 -12.519 1.00 41.13 H new ATOM 0 HA GLU A 71 4.435 -21.023 -10.374 1.00 10.02 H new ATOM 0 HB2 GLU A 71 4.313 -19.741 -13.171 1.00 71.42 H new ATOM 0 HB3 GLU A 71 5.788 -20.000 -12.262 1.00 71.42 H new ATOM 0 HG2 GLU A 71 5.577 -22.401 -12.385 1.00 3.33 H new ATOM 0 HG3 GLU A 71 3.897 -22.311 -12.873 1.00 3.33 H new ATOM 1160 N LYS A 72 3.282 -18.062 -11.222 1.00 24.33 N ATOM 1161 CA LYS A 72 3.187 -16.670 -10.696 1.00 12.24 C ATOM 1162 C LYS A 72 2.499 -16.676 -9.332 1.00 22.02 C ATOM 1163 O LYS A 72 2.578 -15.726 -8.578 1.00 14.52 O ATOM 1164 CB LYS A 72 2.337 -15.916 -11.721 1.00 42.40 C ATOM 1165 CG LYS A 72 3.203 -15.531 -12.922 1.00 12.15 C ATOM 1166 CD LYS A 72 2.917 -14.080 -13.315 1.00 44.41 C ATOM 1167 CE LYS A 72 1.423 -13.915 -13.602 1.00 2.51 C ATOM 1168 NZ LYS A 72 1.335 -13.663 -15.067 1.00 10.51 N ATOM 0 H LYS A 72 2.816 -18.222 -12.115 1.00 24.33 H new ATOM 0 HA LYS A 72 4.165 -16.208 -10.561 1.00 12.24 H new ATOM 0 HB2 LYS A 72 1.503 -16.539 -12.046 1.00 42.40 H new ATOM 0 HB3 LYS A 72 1.909 -15.022 -11.267 1.00 42.40 H new ATOM 0 HG2 LYS A 72 4.258 -15.651 -12.676 1.00 12.15 H new ATOM 0 HG3 LYS A 72 2.994 -16.194 -13.762 1.00 12.15 H new ATOM 0 HD2 LYS A 72 3.221 -13.408 -12.512 1.00 44.41 H new ATOM 0 HD3 LYS A 72 3.500 -13.809 -14.195 1.00 44.41 H new ATOM 0 HE2 LYS A 72 0.867 -14.809 -13.322 1.00 2.51 H new ATOM 0 HE3 LYS A 72 1.001 -13.086 -13.033 1.00 2.51 H new ATOM 0 HZ1 LYS A 72 0.339 -13.540 -15.339 1.00 10.51 H new ATOM 0 HZ2 LYS A 72 1.868 -12.802 -15.304 1.00 10.51 H new ATOM 0 HZ3 LYS A 72 1.737 -14.472 -15.583 1.00 10.51 H new ATOM 1182 N VAL A 73 1.824 -17.744 -9.007 1.00 33.12 N ATOM 1183 CA VAL A 73 1.131 -17.823 -7.691 1.00 44.51 C ATOM 1184 C VAL A 73 2.092 -18.354 -6.624 1.00 23.22 C ATOM 1185 O VAL A 73 1.898 -18.155 -5.441 1.00 53.31 O ATOM 1186 CB VAL A 73 -0.018 -18.807 -7.909 1.00 65.04 C ATOM 1187 CG1 VAL A 73 -0.738 -19.054 -6.584 1.00 62.40 C ATOM 1188 CG2 VAL A 73 -1.005 -18.220 -8.924 1.00 14.30 C ATOM 0 H VAL A 73 1.722 -18.568 -9.599 1.00 33.12 H new ATOM 0 HA VAL A 73 0.777 -16.850 -7.349 1.00 44.51 H new ATOM 0 HB VAL A 73 0.378 -19.749 -8.287 1.00 65.04 H new ATOM 0 HG11 VAL A 73 -1.557 -19.756 -6.740 1.00 62.40 H new ATOM 0 HG12 VAL A 73 -0.037 -19.470 -5.861 1.00 62.40 H new ATOM 0 HG13 VAL A 73 -1.134 -18.112 -6.204 1.00 62.40 H new ATOM 0 HG21 VAL A 73 -1.825 -18.920 -9.081 1.00 14.30 H new ATOM 0 HG22 VAL A 73 -1.400 -17.278 -8.544 1.00 14.30 H new ATOM 0 HG23 VAL A 73 -0.493 -18.044 -9.870 1.00 14.30 H new ATOM 1198 N LYS A 74 3.126 -19.031 -7.040 1.00 63.31 N ATOM 1199 CA LYS A 74 4.105 -19.586 -6.061 1.00 52.20 C ATOM 1200 C LYS A 74 4.516 -18.516 -5.043 1.00 60.04 C ATOM 1201 O LYS A 74 4.466 -18.729 -3.850 1.00 42.52 O ATOM 1202 CB LYS A 74 5.311 -20.007 -6.906 1.00 43.32 C ATOM 1203 CG LYS A 74 4.885 -21.080 -7.915 1.00 45.21 C ATOM 1204 CD LYS A 74 4.963 -22.460 -7.260 1.00 65.11 C ATOM 1205 CE LYS A 74 3.591 -22.836 -6.701 1.00 35.33 C ATOM 1206 NZ LYS A 74 3.851 -23.253 -5.295 1.00 54.04 N ATOM 0 H LYS A 74 3.337 -19.225 -8.019 1.00 63.31 H new ATOM 0 HA LYS A 74 3.688 -20.417 -5.492 1.00 52.20 H new ATOM 0 HB2 LYS A 74 5.720 -19.143 -7.430 1.00 43.32 H new ATOM 0 HB3 LYS A 74 6.102 -20.393 -6.262 1.00 43.32 H new ATOM 0 HG2 LYS A 74 3.869 -20.887 -8.260 1.00 45.21 H new ATOM 0 HG3 LYS A 74 5.531 -21.046 -8.792 1.00 45.21 H new ATOM 0 HD2 LYS A 74 5.287 -23.203 -7.989 1.00 65.11 H new ATOM 0 HD3 LYS A 74 5.704 -22.454 -6.461 1.00 65.11 H new ATOM 0 HE2 LYS A 74 2.903 -21.992 -6.742 1.00 35.33 H new ATOM 0 HE3 LYS A 74 3.138 -23.644 -7.275 1.00 35.33 H new ATOM 0 HZ1 LYS A 74 2.955 -23.527 -4.843 1.00 54.04 H new ATOM 0 HZ2 LYS A 74 4.504 -24.063 -5.288 1.00 54.04 H new ATOM 0 HZ3 LYS A 74 4.276 -22.461 -4.771 1.00 54.04 H new ATOM 1220 N GLN A 75 4.934 -17.372 -5.508 1.00 53.52 N ATOM 1221 CA GLN A 75 5.365 -16.295 -4.565 1.00 33.14 C ATOM 1222 C GLN A 75 4.194 -15.810 -3.706 1.00 62.03 C ATOM 1223 O GLN A 75 4.376 -15.105 -2.735 1.00 72.00 O ATOM 1224 CB GLN A 75 5.911 -15.155 -5.441 1.00 51.51 C ATOM 1225 CG GLN A 75 4.956 -14.832 -6.605 1.00 75.24 C ATOM 1226 CD GLN A 75 3.554 -14.536 -6.076 1.00 63.04 C ATOM 1227 OE1 GLN A 75 2.636 -15.304 -6.287 1.00 0.25 O ATOM 1228 NE2 GLN A 75 3.344 -13.445 -5.395 1.00 73.20 N ATOM 0 H GLN A 75 4.997 -17.134 -6.498 1.00 53.52 H new ATOM 0 HA GLN A 75 6.122 -16.661 -3.872 1.00 33.14 H new ATOM 0 HB2 GLN A 75 6.057 -14.264 -4.831 1.00 51.51 H new ATOM 0 HB3 GLN A 75 6.887 -15.434 -5.837 1.00 51.51 H new ATOM 0 HG2 GLN A 75 5.330 -13.974 -7.163 1.00 75.24 H new ATOM 0 HG3 GLN A 75 4.920 -15.672 -7.298 1.00 75.24 H new ATOM 0 HE21 GLN A 75 4.113 -12.799 -5.217 1.00 73.20 H new ATOM 0 HE22 GLN A 75 2.411 -13.237 -5.040 1.00 73.20 H new ATOM 1237 N ALA A 76 2.991 -16.178 -4.055 1.00 32.13 N ATOM 1238 CA ALA A 76 1.818 -15.726 -3.252 1.00 32.43 C ATOM 1239 C ALA A 76 1.473 -16.761 -2.182 1.00 12.42 C ATOM 1240 O ALA A 76 1.200 -16.427 -1.047 1.00 42.40 O ATOM 1241 CB ALA A 76 0.674 -15.599 -4.256 1.00 65.20 C ATOM 0 H ALA A 76 2.770 -16.769 -4.857 1.00 32.13 H new ATOM 0 HA ALA A 76 2.015 -14.788 -2.734 1.00 32.43 H new ATOM 0 HB1 ALA A 76 -0.228 -15.269 -3.740 1.00 65.20 H new ATOM 0 HB2 ALA A 76 0.941 -14.871 -5.022 1.00 65.20 H new ATOM 0 HB3 ALA A 76 0.491 -16.566 -4.724 1.00 65.20 H new ATOM 1247 N LEU A 77 1.483 -18.017 -2.535 1.00 22.42 N ATOM 1248 CA LEU A 77 1.151 -19.067 -1.531 1.00 34.41 C ATOM 1249 C LEU A 77 2.361 -19.340 -0.635 1.00 52.11 C ATOM 1250 O LEU A 77 2.230 -19.829 0.470 1.00 1.05 O ATOM 1251 CB LEU A 77 0.795 -20.307 -2.351 1.00 63.52 C ATOM 1252 CG LEU A 77 -0.197 -19.926 -3.452 1.00 53.25 C ATOM 1253 CD1 LEU A 77 -0.744 -21.193 -4.108 1.00 3.51 C ATOM 1254 CD2 LEU A 77 -1.354 -19.128 -2.844 1.00 63.41 C ATOM 0 H LEU A 77 1.705 -18.360 -3.469 1.00 22.42 H new ATOM 0 HA LEU A 77 0.332 -18.768 -0.876 1.00 34.41 H new ATOM 0 HB2 LEU A 77 1.696 -20.735 -2.791 1.00 63.52 H new ATOM 0 HB3 LEU A 77 0.362 -21.071 -1.705 1.00 63.52 H new ATOM 0 HG LEU A 77 0.310 -19.319 -4.201 1.00 53.25 H new ATOM 0 HD11 LEU A 77 -1.451 -20.921 -4.892 1.00 3.51 H new ATOM 0 HD12 LEU A 77 0.078 -21.762 -4.542 1.00 3.51 H new ATOM 0 HD13 LEU A 77 -1.250 -21.801 -3.359 1.00 3.51 H new ATOM 0 HD21 LEU A 77 -2.061 -18.857 -3.628 1.00 63.41 H new ATOM 0 HD22 LEU A 77 -1.860 -19.735 -2.094 1.00 63.41 H new ATOM 0 HD23 LEU A 77 -0.966 -18.223 -2.376 1.00 63.41 H new ATOM 1266 N THR A 78 3.539 -19.024 -1.098 1.00 43.32 N ATOM 1267 CA THR A 78 4.755 -19.262 -0.271 1.00 10.50 C ATOM 1268 C THR A 78 4.991 -18.076 0.669 1.00 64.42 C ATOM 1269 O THR A 78 5.501 -18.226 1.761 1.00 21.10 O ATOM 1270 CB THR A 78 5.902 -19.389 -1.278 1.00 14.22 C ATOM 1271 OG1 THR A 78 7.027 -19.977 -0.640 1.00 42.40 O ATOM 1272 CG2 THR A 78 6.281 -18.006 -1.810 1.00 12.30 C ATOM 0 H THR A 78 3.712 -18.611 -2.014 1.00 43.32 H new ATOM 0 HA THR A 78 4.665 -20.150 0.354 1.00 10.50 H new ATOM 0 HB THR A 78 5.583 -20.017 -2.110 1.00 14.22 H new ATOM 0 HG1 THR A 78 7.761 -20.060 -1.283 1.00 42.40 H new ATOM 0 HG21 THR A 78 7.097 -18.103 -2.526 1.00 12.30 H new ATOM 0 HG22 THR A 78 5.418 -17.556 -2.302 1.00 12.30 H new ATOM 0 HG23 THR A 78 6.598 -17.372 -0.982 1.00 12.30 H new ATOM 1280 N GLU A 79 4.623 -16.895 0.249 1.00 11.41 N ATOM 1281 CA GLU A 79 4.827 -15.697 1.113 1.00 51.34 C ATOM 1282 C GLU A 79 3.544 -15.377 1.887 1.00 74.34 C ATOM 1283 O GLU A 79 3.565 -15.172 3.085 1.00 55.50 O ATOM 1284 CB GLU A 79 5.166 -14.567 0.145 1.00 14.51 C ATOM 1285 CG GLU A 79 6.596 -14.746 -0.366 1.00 74.14 C ATOM 1286 CD GLU A 79 7.554 -13.926 0.499 1.00 41.12 C ATOM 1287 OE1 GLU A 79 7.088 -13.012 1.160 1.00 55.22 O ATOM 1288 OE2 GLU A 79 8.738 -14.226 0.487 1.00 4.01 O ATOM 0 H GLU A 79 4.190 -16.709 -0.655 1.00 11.41 H new ATOM 0 HA GLU A 79 5.613 -15.849 1.853 1.00 51.34 H new ATOM 0 HB2 GLU A 79 4.467 -14.568 -0.691 1.00 14.51 H new ATOM 0 HB3 GLU A 79 5.065 -13.603 0.644 1.00 14.51 H new ATOM 0 HG2 GLU A 79 6.874 -15.799 -0.337 1.00 74.14 H new ATOM 0 HG3 GLU A 79 6.664 -14.427 -1.406 1.00 74.14 H new ATOM 1295 N GLN A 80 2.433 -15.328 1.209 1.00 62.15 N ATOM 1296 CA GLN A 80 1.145 -15.016 1.900 1.00 14.05 C ATOM 1297 C GLN A 80 0.350 -16.304 2.107 1.00 62.23 C ATOM 1298 O GLN A 80 -0.095 -16.607 3.196 1.00 71.52 O ATOM 1299 CB GLN A 80 0.377 -14.070 0.963 1.00 72.03 C ATOM 1300 CG GLN A 80 1.341 -13.131 0.223 1.00 34.00 C ATOM 1301 CD GLN A 80 0.615 -12.499 -0.965 1.00 22.03 C ATOM 1302 OE1 GLN A 80 0.636 -11.297 -1.139 1.00 50.30 O ATOM 1303 NE2 GLN A 80 -0.032 -13.267 -1.801 1.00 50.21 N ATOM 0 H GLN A 80 2.358 -15.490 0.205 1.00 62.15 H new ATOM 0 HA GLN A 80 1.310 -14.561 2.877 1.00 14.05 H new ATOM 0 HB2 GLN A 80 -0.196 -14.652 0.241 1.00 72.03 H new ATOM 0 HB3 GLN A 80 -0.339 -13.483 1.539 1.00 72.03 H new ATOM 0 HG2 GLN A 80 1.702 -12.355 0.898 1.00 34.00 H new ATOM 0 HG3 GLN A 80 2.214 -13.685 -0.122 1.00 34.00 H new ATOM 0 HE21 GLN A 80 -0.051 -14.277 -1.656 1.00 50.21 H new ATOM 0 HE22 GLN A 80 -0.518 -12.857 -2.598 1.00 50.21 H new ATOM 1312 N GLY A 81 0.168 -17.065 1.061 1.00 70.02 N ATOM 1313 CA GLY A 81 -0.598 -18.332 1.188 1.00 14.02 C ATOM 1314 C GLY A 81 -1.857 -18.260 0.324 1.00 44.31 C ATOM 1315 O GLY A 81 -2.677 -19.158 0.334 1.00 33.52 O ATOM 0 H GLY A 81 0.518 -16.861 0.125 1.00 70.02 H new ATOM 0 HA2 GLY A 81 0.020 -19.175 0.878 1.00 14.02 H new ATOM 0 HA3 GLY A 81 -0.869 -18.502 2.230 1.00 14.02 H new ATOM 1319 N TYR A 82 -2.026 -17.199 -0.422 1.00 32.10 N ATOM 1320 CA TYR A 82 -3.246 -17.080 -1.277 1.00 54.04 C ATOM 1321 C TYR A 82 -2.956 -16.213 -2.507 1.00 4.21 C ATOM 1322 O TYR A 82 -2.171 -15.287 -2.460 1.00 24.10 O ATOM 1323 CB TYR A 82 -4.315 -16.404 -0.406 1.00 15.13 C ATOM 1324 CG TYR A 82 -4.125 -16.772 1.047 1.00 51.41 C ATOM 1325 CD1 TYR A 82 -3.146 -16.123 1.807 1.00 35.00 C ATOM 1326 CD2 TYR A 82 -4.924 -17.761 1.631 1.00 24.04 C ATOM 1327 CE1 TYR A 82 -2.966 -16.463 3.152 1.00 33.25 C ATOM 1328 CE2 TYR A 82 -4.744 -18.102 2.977 1.00 34.23 C ATOM 1329 CZ TYR A 82 -3.763 -17.452 3.737 1.00 41.34 C ATOM 1330 OH TYR A 82 -3.586 -17.787 5.065 1.00 31.25 O ATOM 0 H TYR A 82 -1.377 -16.414 -0.477 1.00 32.10 H new ATOM 0 HA TYR A 82 -3.573 -18.057 -1.632 1.00 54.04 H new ATOM 0 HB2 TYR A 82 -4.257 -15.322 -0.524 1.00 15.13 H new ATOM 0 HB3 TYR A 82 -5.308 -16.708 -0.737 1.00 15.13 H new ATOM 0 HD1 TYR A 82 -2.529 -15.360 1.356 1.00 35.00 H new ATOM 0 HD2 TYR A 82 -5.680 -18.261 1.044 1.00 24.04 H new ATOM 0 HE1 TYR A 82 -2.211 -15.961 3.739 1.00 33.25 H new ATOM 0 HE2 TYR A 82 -5.361 -18.865 3.429 1.00 34.23 H new ATOM 0 HH TYR A 82 -4.222 -18.491 5.312 1.00 31.25 H new ATOM 1340 N TYR A 83 -3.604 -16.501 -3.602 1.00 73.14 N ATOM 1341 CA TYR A 83 -3.394 -15.692 -4.837 1.00 41.22 C ATOM 1342 C TYR A 83 -4.714 -15.578 -5.602 1.00 63.21 C ATOM 1343 O TYR A 83 -5.356 -16.565 -5.901 1.00 50.01 O ATOM 1344 CB TYR A 83 -2.353 -16.458 -5.653 1.00 25.14 C ATOM 1345 CG TYR A 83 -2.089 -15.726 -6.947 1.00 41.11 C ATOM 1346 CD1 TYR A 83 -3.023 -15.782 -7.986 1.00 44.51 C ATOM 1347 CD2 TYR A 83 -0.907 -14.991 -7.109 1.00 60.24 C ATOM 1348 CE1 TYR A 83 -2.778 -15.103 -9.187 1.00 54.13 C ATOM 1349 CE2 TYR A 83 -0.662 -14.312 -8.306 1.00 2.23 C ATOM 1350 CZ TYR A 83 -1.597 -14.370 -9.346 1.00 53.21 C ATOM 1351 OH TYR A 83 -1.353 -13.702 -10.529 1.00 1.14 O ATOM 0 H TYR A 83 -4.273 -17.265 -3.695 1.00 73.14 H new ATOM 0 HA TYR A 83 -3.057 -14.678 -4.622 1.00 41.22 H new ATOM 0 HB2 TYR A 83 -1.429 -16.556 -5.083 1.00 25.14 H new ATOM 0 HB3 TYR A 83 -2.708 -17.467 -5.860 1.00 25.14 H new ATOM 0 HD1 TYR A 83 -3.934 -16.349 -7.863 1.00 44.51 H new ATOM 0 HD2 TYR A 83 -0.184 -14.949 -6.308 1.00 60.24 H new ATOM 0 HE1 TYR A 83 -3.500 -15.145 -9.989 1.00 54.13 H new ATOM 0 HE2 TYR A 83 0.248 -13.743 -8.428 1.00 2.23 H new ATOM 0 HH TYR A 83 -0.489 -13.242 -10.473 1.00 1.14 H new ATOM 1361 N LEU A 84 -5.135 -14.383 -5.905 1.00 63.30 N ATOM 1362 CA LEU A 84 -6.426 -14.213 -6.631 1.00 3.33 C ATOM 1363 C LEU A 84 -6.187 -13.866 -8.101 1.00 54.23 C ATOM 1364 O LEU A 84 -5.408 -12.991 -8.426 1.00 3.22 O ATOM 1365 CB LEU A 84 -7.125 -13.056 -5.909 1.00 50.30 C ATOM 1366 CG LEU A 84 -8.480 -12.770 -6.562 1.00 70.25 C ATOM 1367 CD1 LEU A 84 -9.187 -14.082 -6.904 1.00 41.22 C ATOM 1368 CD2 LEU A 84 -9.346 -11.966 -5.588 1.00 23.14 C ATOM 0 H LEU A 84 -4.643 -13.517 -5.683 1.00 63.30 H new ATOM 0 HA LEU A 84 -7.022 -15.126 -6.628 1.00 3.33 H new ATOM 0 HB2 LEU A 84 -7.265 -13.305 -4.857 1.00 50.30 H new ATOM 0 HB3 LEU A 84 -6.500 -12.164 -5.945 1.00 50.30 H new ATOM 0 HG LEU A 84 -8.324 -12.202 -7.479 1.00 70.25 H new ATOM 0 HD11 LEU A 84 -10.150 -13.866 -7.368 1.00 41.22 H new ATOM 0 HD12 LEU A 84 -8.572 -14.657 -7.596 1.00 41.22 H new ATOM 0 HD13 LEU A 84 -9.345 -14.659 -5.993 1.00 41.22 H new ATOM 0 HD21 LEU A 84 -10.313 -11.759 -6.047 1.00 23.14 H new ATOM 0 HD22 LEU A 84 -9.494 -12.540 -4.673 1.00 23.14 H new ATOM 0 HD23 LEU A 84 -8.848 -11.026 -5.350 1.00 23.14 H new ATOM 1380 N GLN A 85 -6.859 -14.545 -8.990 1.00 14.40 N ATOM 1381 CA GLN A 85 -6.681 -14.256 -10.440 1.00 11.20 C ATOM 1382 C GLN A 85 -7.915 -13.524 -10.982 1.00 60.24 C ATOM 1383 O GLN A 85 -9.038 -13.956 -10.794 1.00 75.24 O ATOM 1384 CB GLN A 85 -6.514 -15.628 -11.106 1.00 41.23 C ATOM 1385 CG GLN A 85 -7.881 -16.302 -11.257 1.00 63.41 C ATOM 1386 CD GLN A 85 -8.506 -15.942 -12.610 1.00 40.30 C ATOM 1387 OE1 GLN A 85 -8.007 -14.965 -13.320 1.00 61.41 O flip ATOM 1388 NE2 GLN A 85 -9.468 -16.559 -13.026 1.00 63.01 N flip ATOM 0 H GLN A 85 -7.524 -15.288 -8.774 1.00 14.40 H new ATOM 0 HA GLN A 85 -5.823 -13.613 -10.636 1.00 11.20 H new ATOM 0 HB2 GLN A 85 -6.045 -15.513 -12.083 1.00 41.23 H new ATOM 0 HB3 GLN A 85 -5.853 -16.255 -10.507 1.00 41.23 H new ATOM 0 HG2 GLN A 85 -7.772 -17.383 -11.176 1.00 63.41 H new ATOM 0 HG3 GLN A 85 -8.541 -15.987 -10.449 1.00 63.41 H new ATOM 0 HE21 GLN A 85 -9.861 -17.322 -12.476 1.00 63.01 H new ATOM 0 HE22 GLN A 85 -9.882 -16.313 -13.925 1.00 63.01 H new ATOM 1397 N LEU A 86 -7.710 -12.416 -11.650 1.00 64.41 N ATOM 1398 CA LEU A 86 -8.864 -11.647 -12.202 1.00 33.51 C ATOM 1399 C LEU A 86 -8.720 -11.484 -13.721 1.00 71.22 C ATOM 1400 O LEU A 86 -7.684 -11.077 -14.207 1.00 71.13 O ATOM 1401 CB LEU A 86 -8.789 -10.282 -11.509 1.00 44.51 C ATOM 1402 CG LEU A 86 -10.197 -9.805 -11.144 1.00 43.04 C ATOM 1403 CD1 LEU A 86 -10.977 -9.487 -12.422 1.00 44.15 C ATOM 1404 CD2 LEU A 86 -10.920 -10.901 -10.361 1.00 21.52 C ATOM 0 H LEU A 86 -6.792 -12.012 -11.836 1.00 64.41 H new ATOM 0 HA LEU A 86 -9.816 -12.148 -12.027 1.00 33.51 H new ATOM 0 HB2 LEU A 86 -8.176 -10.354 -10.611 1.00 44.51 H new ATOM 0 HB3 LEU A 86 -8.309 -9.557 -12.166 1.00 44.51 H new ATOM 0 HG LEU A 86 -10.128 -8.907 -10.530 1.00 43.04 H new ATOM 0 HD11 LEU A 86 -11.979 -9.147 -12.161 1.00 44.15 H new ATOM 0 HD12 LEU A 86 -10.461 -8.704 -12.977 1.00 44.15 H new ATOM 0 HD13 LEU A 86 -11.046 -10.383 -13.038 1.00 44.15 H new ATOM 0 HD21 LEU A 86 -11.923 -10.561 -10.101 1.00 21.52 H new ATOM 0 HD22 LEU A 86 -10.989 -11.800 -10.973 1.00 21.52 H new ATOM 0 HD23 LEU A 86 -10.365 -11.124 -9.450 1.00 21.52 H new ATOM 1416 N PRO A 87 -9.774 -11.817 -14.420 1.00 33.20 N ATOM 1417 CA PRO A 87 -9.780 -11.715 -15.905 1.00 11.22 C ATOM 1418 C PRO A 87 -9.837 -10.252 -16.357 1.00 10.24 C ATOM 1419 O PRO A 87 -9.981 -9.354 -15.549 1.00 54.22 O ATOM 1420 CB PRO A 87 -11.057 -12.444 -16.306 1.00 44.35 C ATOM 1421 CG PRO A 87 -11.948 -12.342 -15.108 1.00 61.22 C ATOM 1422 CD PRO A 87 -11.051 -12.318 -13.900 1.00 43.43 C ATOM 0 HA PRO A 87 -8.882 -12.135 -16.358 1.00 11.22 H new ATOM 0 HB2 PRO A 87 -11.517 -11.984 -17.181 1.00 44.35 H new ATOM 0 HB3 PRO A 87 -10.855 -13.484 -16.561 1.00 44.35 H new ATOM 0 HG2 PRO A 87 -12.557 -11.439 -15.155 1.00 61.22 H new ATOM 0 HG3 PRO A 87 -12.634 -13.188 -15.063 1.00 61.22 H new ATOM 0 HD2 PRO A 87 -11.448 -11.668 -13.120 1.00 43.43 H new ATOM 0 HD3 PRO A 87 -10.943 -13.311 -13.463 1.00 43.43 H new ATOM 1430 N PRO A 88 -9.733 -10.068 -17.647 1.00 12.51 N ATOM 1431 CA PRO A 88 -9.784 -8.705 -18.240 1.00 40.31 C ATOM 1432 C PRO A 88 -11.205 -8.142 -18.149 1.00 24.32 C ATOM 1433 O PRO A 88 -12.115 -8.824 -17.716 1.00 33.01 O ATOM 1434 CB PRO A 88 -9.376 -8.934 -19.695 1.00 3.11 C ATOM 1435 CG PRO A 88 -9.714 -10.365 -19.969 1.00 43.35 C ATOM 1436 CD PRO A 88 -9.557 -11.107 -18.669 1.00 52.10 C ATOM 0 HA PRO A 88 -9.140 -7.987 -17.732 1.00 40.31 H new ATOM 0 HB2 PRO A 88 -9.915 -8.265 -20.366 1.00 3.11 H new ATOM 0 HB3 PRO A 88 -8.313 -8.744 -19.842 1.00 3.11 H new ATOM 0 HG2 PRO A 88 -10.733 -10.456 -20.345 1.00 43.35 H new ATOM 0 HG3 PRO A 88 -9.054 -10.779 -20.732 1.00 43.35 H new ATOM 0 HD2 PRO A 88 -10.301 -11.897 -18.568 1.00 52.10 H new ATOM 0 HD3 PRO A 88 -8.578 -11.579 -18.594 1.00 52.10 H new ATOM 1444 N PRO A 89 -11.355 -6.911 -18.565 1.00 24.32 N ATOM 1445 CA PRO A 89 -12.684 -6.254 -18.529 1.00 45.13 C ATOM 1446 C PRO A 89 -13.618 -6.881 -19.569 1.00 54.32 C ATOM 1447 O PRO A 89 -13.170 -7.553 -20.480 1.00 31.12 O ATOM 1448 CB PRO A 89 -12.373 -4.798 -18.870 1.00 13.24 C ATOM 1449 CG PRO A 89 -11.091 -4.850 -19.637 1.00 61.13 C ATOM 1450 CD PRO A 89 -10.315 -6.024 -19.101 1.00 32.51 C ATOM 0 HA PRO A 89 -13.191 -6.359 -17.570 1.00 45.13 H new ATOM 0 HB2 PRO A 89 -13.171 -4.352 -19.463 1.00 13.24 H new ATOM 0 HB3 PRO A 89 -12.270 -4.194 -17.968 1.00 13.24 H new ATOM 0 HG2 PRO A 89 -11.282 -4.967 -20.704 1.00 61.13 H new ATOM 0 HG3 PRO A 89 -10.528 -3.925 -19.514 1.00 61.13 H new ATOM 0 HD2 PRO A 89 -9.736 -6.513 -19.884 1.00 32.51 H new ATOM 0 HD3 PRO A 89 -9.611 -5.719 -18.327 1.00 32.51 H new ATOM 1458 N PRO A 90 -14.889 -6.648 -19.393 1.00 23.22 N ATOM 1459 CA PRO A 90 -15.904 -7.205 -20.323 1.00 14.31 C ATOM 1460 C PRO A 90 -15.882 -6.470 -21.668 1.00 1.33 C ATOM 1461 O PRO A 90 -15.469 -7.014 -22.673 1.00 44.13 O ATOM 1462 CB PRO A 90 -17.223 -6.979 -19.588 1.00 41.31 C ATOM 1463 CG PRO A 90 -16.967 -5.835 -18.658 1.00 5.15 C ATOM 1464 CD PRO A 90 -15.497 -5.851 -18.320 1.00 34.50 C ATOM 0 HA PRO A 90 -15.730 -8.254 -20.564 1.00 14.31 H new ATOM 0 HB2 PRO A 90 -18.027 -6.746 -20.286 1.00 41.31 H new ATOM 0 HB3 PRO A 90 -17.525 -7.871 -19.040 1.00 41.31 H new ATOM 0 HG2 PRO A 90 -17.243 -4.890 -19.126 1.00 5.15 H new ATOM 0 HG3 PRO A 90 -17.570 -5.932 -17.755 1.00 5.15 H new ATOM 0 HD2 PRO A 90 -15.084 -4.843 -18.290 1.00 34.50 H new ATOM 0 HD3 PRO A 90 -15.318 -6.298 -17.342 1.00 34.50 H new ATOM 1472 N GLU A 91 -16.330 -5.245 -21.702 1.00 2.34 N ATOM 1473 CA GLU A 91 -16.337 -4.491 -22.990 1.00 61.43 C ATOM 1474 C GLU A 91 -14.913 -4.068 -23.372 1.00 44.25 C ATOM 1475 O GLU A 91 -14.164 -4.832 -23.947 1.00 23.14 O ATOM 1476 CB GLU A 91 -17.215 -3.267 -22.729 1.00 35.15 C ATOM 1477 CG GLU A 91 -18.689 -3.679 -22.745 1.00 41.40 C ATOM 1478 CD GLU A 91 -19.153 -3.861 -24.192 1.00 51.52 C ATOM 1479 OE1 GLU A 91 -18.360 -4.321 -24.994 1.00 14.22 O ATOM 1480 OE2 GLU A 91 -20.295 -3.536 -24.470 1.00 42.32 O ATOM 0 H GLU A 91 -16.691 -4.734 -20.897 1.00 2.34 H new ATOM 0 HA GLU A 91 -16.715 -5.093 -23.817 1.00 61.43 H new ATOM 0 HB2 GLU A 91 -16.961 -2.824 -21.766 1.00 35.15 H new ATOM 0 HB3 GLU A 91 -17.031 -2.507 -23.488 1.00 35.15 H new ATOM 0 HG2 GLU A 91 -18.824 -4.607 -22.189 1.00 41.40 H new ATOM 0 HG3 GLU A 91 -19.295 -2.920 -22.250 1.00 41.40 H new ATOM 1487 N ASP A 92 -14.535 -2.858 -23.059 1.00 41.42 N ATOM 1488 CA ASP A 92 -13.163 -2.389 -23.408 1.00 21.43 C ATOM 1489 C ASP A 92 -12.971 -0.944 -22.939 1.00 75.10 C ATOM 1490 O ASP A 92 -12.244 -0.178 -23.539 1.00 23.42 O ATOM 1491 CB ASP A 92 -13.090 -2.474 -24.934 1.00 22.31 C ATOM 1492 CG ASP A 92 -11.996 -3.463 -25.342 1.00 32.21 C ATOM 1493 OD1 ASP A 92 -10.921 -3.395 -24.768 1.00 15.42 O ATOM 1494 OD2 ASP A 92 -12.252 -4.269 -26.220 1.00 52.32 O ATOM 0 H ASP A 92 -15.117 -2.174 -22.576 1.00 41.42 H new ATOM 0 HA ASP A 92 -12.385 -2.986 -22.932 1.00 21.43 H new ATOM 0 HB2 ASP A 92 -14.051 -2.793 -25.337 1.00 22.31 H new ATOM 0 HB3 ASP A 92 -12.880 -1.490 -25.353 1.00 22.31 H new ATOM 1499 N LEU A 93 -13.621 -0.571 -21.869 1.00 74.32 N ATOM 1500 CA LEU A 93 -13.479 0.823 -21.358 1.00 21.40 C ATOM 1501 C LEU A 93 -12.392 0.885 -20.287 1.00 33.30 C ATOM 1502 O LEU A 93 -12.167 -0.063 -19.560 1.00 13.22 O ATOM 1503 CB LEU A 93 -14.840 1.164 -20.750 1.00 5.11 C ATOM 1504 CG LEU A 93 -15.933 0.992 -21.803 1.00 12.14 C ATOM 1505 CD1 LEU A 93 -17.234 1.615 -21.293 1.00 42.42 C ATOM 1506 CD2 LEU A 93 -15.507 1.689 -23.097 1.00 45.04 C ATOM 0 H LEU A 93 -14.243 -1.171 -21.327 1.00 74.32 H new ATOM 0 HA LEU A 93 -13.194 1.521 -22.145 1.00 21.40 H new ATOM 0 HB2 LEU A 93 -15.040 0.517 -19.896 1.00 5.11 H new ATOM 0 HB3 LEU A 93 -14.837 2.189 -20.380 1.00 5.11 H new ATOM 0 HG LEU A 93 -16.089 -0.069 -21.996 1.00 12.14 H new ATOM 0 HD11 LEU A 93 -18.015 1.493 -22.044 1.00 42.42 H new ATOM 0 HD12 LEU A 93 -17.537 1.120 -20.370 1.00 42.42 H new ATOM 0 HD13 LEU A 93 -17.078 2.677 -21.101 1.00 42.42 H new ATOM 0 HD21 LEU A 93 -16.286 1.567 -23.849 1.00 45.04 H new ATOM 0 HD22 LEU A 93 -15.352 2.751 -22.904 1.00 45.04 H new ATOM 0 HD23 LEU A 93 -14.579 1.247 -23.460 1.00 45.04 H new ATOM 1518 N LEU A 94 -11.716 1.995 -20.180 1.00 22.25 N ATOM 1519 CA LEU A 94 -10.644 2.114 -19.151 1.00 64.15 C ATOM 1520 C LEU A 94 -9.980 3.491 -19.234 1.00 10.01 C ATOM 1521 O LEU A 94 -8.812 3.645 -18.931 1.00 45.50 O ATOM 1522 CB LEU A 94 -9.645 1.012 -19.494 1.00 64.32 C ATOM 1523 CG LEU A 94 -9.350 1.043 -20.994 1.00 41.50 C ATOM 1524 CD1 LEU A 94 -7.853 1.263 -21.214 1.00 64.11 C ATOM 1525 CD2 LEU A 94 -9.767 -0.287 -21.625 1.00 40.40 C ATOM 0 H LEU A 94 -11.858 2.823 -20.758 1.00 22.25 H new ATOM 0 HA LEU A 94 -11.030 2.012 -18.137 1.00 64.15 H new ATOM 0 HB2 LEU A 94 -8.724 1.152 -18.928 1.00 64.32 H new ATOM 0 HB3 LEU A 94 -10.048 0.040 -19.211 1.00 64.32 H new ATOM 0 HG LEU A 94 -9.910 1.856 -21.457 1.00 41.50 H new ATOM 0 HD11 LEU A 94 -7.642 1.285 -22.283 1.00 64.11 H new ATOM 0 HD12 LEU A 94 -7.555 2.211 -20.765 1.00 64.11 H new ATOM 0 HD13 LEU A 94 -7.294 0.450 -20.751 1.00 64.11 H new ATOM 0 HD21 LEU A 94 -9.556 -0.264 -22.694 1.00 40.40 H new ATOM 0 HD22 LEU A 94 -9.208 -1.100 -21.162 1.00 40.40 H new ATOM 0 HD23 LEU A 94 -10.834 -0.445 -21.469 1.00 40.40 H new ATOM 1537 N LYS A 95 -10.711 4.491 -19.641 1.00 64.23 N ATOM 1538 CA LYS A 95 -10.118 5.855 -19.741 1.00 42.30 C ATOM 1539 C LYS A 95 -10.884 6.834 -18.847 1.00 32.32 C ATOM 1540 O LYS A 95 -11.520 7.754 -19.321 1.00 34.42 O ATOM 1541 CB LYS A 95 -10.270 6.246 -21.212 1.00 70.12 C ATOM 1542 CG LYS A 95 -8.903 6.200 -21.895 1.00 3.21 C ATOM 1543 CD LYS A 95 -9.081 5.814 -23.364 1.00 15.14 C ATOM 1544 CE LYS A 95 -9.772 6.958 -24.111 1.00 72.50 C ATOM 1545 NZ LYS A 95 -11.220 6.608 -24.094 1.00 75.33 N ATOM 0 H LYS A 95 -11.693 4.423 -19.909 1.00 64.23 H new ATOM 0 HA LYS A 95 -9.078 5.876 -19.417 1.00 42.30 H new ATOM 0 HB2 LYS A 95 -10.961 5.566 -21.711 1.00 70.12 H new ATOM 0 HB3 LYS A 95 -10.695 7.247 -21.291 1.00 70.12 H new ATOM 0 HG2 LYS A 95 -8.414 7.171 -21.820 1.00 3.21 H new ATOM 0 HG3 LYS A 95 -8.258 5.478 -21.394 1.00 3.21 H new ATOM 0 HD2 LYS A 95 -8.112 5.603 -23.816 1.00 15.14 H new ATOM 0 HD3 LYS A 95 -9.674 4.903 -23.443 1.00 15.14 H new ATOM 0 HE2 LYS A 95 -9.591 7.915 -23.622 1.00 72.50 H new ATOM 0 HE3 LYS A 95 -9.399 7.046 -25.131 1.00 72.50 H new ATOM 0 HZ1 LYS A 95 -11.659 6.903 -24.989 1.00 75.33 H new ATOM 0 HZ2 LYS A 95 -11.327 5.580 -23.978 1.00 75.33 H new ATOM 0 HZ3 LYS A 95 -11.686 7.096 -23.302 1.00 75.33 H new ATOM 1559 N GLN A 96 -10.835 6.640 -17.557 1.00 40.50 N ATOM 1560 CA GLN A 96 -11.567 7.560 -16.640 1.00 42.15 C ATOM 1561 C GLN A 96 -10.716 7.881 -15.406 1.00 1.10 C ATOM 1562 O GLN A 96 -11.148 8.574 -14.505 1.00 42.41 O ATOM 1563 CB GLN A 96 -12.828 6.793 -16.243 1.00 64.50 C ATOM 1564 CG GLN A 96 -12.436 5.441 -15.643 1.00 44.25 C ATOM 1565 CD GLN A 96 -13.629 4.853 -14.891 1.00 4.25 C ATOM 1566 OE1 GLN A 96 -14.763 5.038 -15.287 1.00 64.22 O ATOM 1567 NE2 GLN A 96 -13.422 4.147 -13.811 1.00 4.51 N ATOM 0 H GLN A 96 -10.322 5.887 -17.099 1.00 40.50 H new ATOM 0 HA GLN A 96 -11.799 8.515 -17.112 1.00 42.15 H new ATOM 0 HB2 GLN A 96 -13.405 7.370 -15.520 1.00 64.50 H new ATOM 0 HB3 GLN A 96 -13.466 6.645 -17.114 1.00 64.50 H new ATOM 0 HG2 GLN A 96 -12.118 4.759 -16.432 1.00 44.25 H new ATOM 0 HG3 GLN A 96 -11.590 5.563 -14.967 1.00 44.25 H new ATOM 0 HE21 GLN A 96 -12.471 3.991 -13.478 1.00 4.51 H new ATOM 0 HE22 GLN A 96 -14.212 3.752 -13.301 1.00 4.51 H new ATOM 1576 N HIS A 97 -9.507 7.385 -15.354 1.00 11.33 N ATOM 1577 CA HIS A 97 -8.634 7.669 -14.179 1.00 13.33 C ATOM 1578 C HIS A 97 -7.253 7.032 -14.377 1.00 4.52 C ATOM 1579 O HIS A 97 -6.669 6.496 -13.458 1.00 60.11 O ATOM 1580 CB HIS A 97 -9.349 7.038 -12.983 1.00 2.21 C ATOM 1581 CG HIS A 97 -8.770 7.586 -11.707 1.00 33.02 C ATOM 1582 ND1 HIS A 97 -9.286 7.264 -10.460 1.00 74.05 N ATOM 1583 CD2 HIS A 97 -7.717 8.436 -11.469 1.00 10.23 C ATOM 1584 CE1 HIS A 97 -8.549 7.911 -9.538 1.00 14.32 C ATOM 1585 NE2 HIS A 97 -7.581 8.638 -10.099 1.00 52.40 N ATOM 0 H HIS A 97 -9.088 6.796 -16.074 1.00 11.33 H new ATOM 0 HA HIS A 97 -8.474 8.738 -14.037 1.00 13.33 H new ATOM 0 HB2 HIS A 97 -10.417 7.250 -13.031 1.00 2.21 H new ATOM 0 HB3 HIS A 97 -9.238 5.954 -13.009 1.00 2.21 H new ATOM 0 HD2 HIS A 97 -7.091 8.879 -12.229 1.00 10.23 H new ATOM 0 HE1 HIS A 97 -8.720 7.849 -8.473 1.00 14.32 H new ATOM 0 HE2 HIS A 97 -6.889 9.218 -9.625 1.00 52.40 H new ATOM 1593 N LEU A 98 -6.731 7.090 -15.571 1.00 3.15 N ATOM 1594 CA LEU A 98 -5.389 6.493 -15.829 1.00 21.42 C ATOM 1595 C LEU A 98 -4.473 7.521 -16.496 1.00 51.51 C ATOM 1596 O LEU A 98 -4.747 8.704 -16.494 1.00 64.21 O ATOM 1597 CB LEU A 98 -5.647 5.313 -16.766 1.00 20.22 C ATOM 1598 CG LEU A 98 -6.197 4.135 -15.962 1.00 1.13 C ATOM 1599 CD1 LEU A 98 -7.685 3.960 -16.267 1.00 44.31 C ATOM 1600 CD2 LEU A 98 -5.444 2.860 -16.350 1.00 52.05 C ATOM 0 H LEU A 98 -7.175 7.525 -16.380 1.00 3.15 H new ATOM 0 HA LEU A 98 -4.896 6.178 -14.910 1.00 21.42 H new ATOM 0 HB2 LEU A 98 -6.356 5.600 -17.543 1.00 20.22 H new ATOM 0 HB3 LEU A 98 -4.723 5.025 -17.268 1.00 20.22 H new ATOM 0 HG LEU A 98 -6.065 4.327 -14.897 1.00 1.13 H new ATOM 0 HD11 LEU A 98 -8.078 3.120 -15.694 1.00 44.31 H new ATOM 0 HD12 LEU A 98 -8.222 4.868 -15.993 1.00 44.31 H new ATOM 0 HD13 LEU A 98 -7.818 3.767 -17.331 1.00 44.31 H new ATOM 0 HD21 LEU A 98 -5.835 2.018 -15.778 1.00 52.05 H new ATOM 0 HD22 LEU A 98 -5.578 2.668 -17.415 1.00 52.05 H new ATOM 0 HD23 LEU A 98 -4.383 2.984 -16.134 1.00 52.05 H new ATOM 1612 N SER A 99 -3.387 7.078 -17.068 1.00 43.01 N ATOM 1613 CA SER A 99 -2.454 8.032 -17.733 1.00 12.20 C ATOM 1614 C SER A 99 -1.818 8.959 -16.694 1.00 22.24 C ATOM 1615 O SER A 99 -1.932 8.745 -15.505 1.00 30.22 O ATOM 1616 CB SER A 99 -3.327 8.828 -18.702 1.00 72.14 C ATOM 1617 OG SER A 99 -4.300 7.965 -19.278 1.00 72.33 O ATOM 0 H SER A 99 -3.105 6.098 -17.104 1.00 43.01 H new ATOM 0 HA SER A 99 -1.637 7.524 -18.246 1.00 12.20 H new ATOM 0 HB2 SER A 99 -3.817 9.648 -18.178 1.00 72.14 H new ATOM 0 HB3 SER A 99 -2.711 9.272 -19.483 1.00 72.14 H new ATOM 0 HG SER A 99 -4.862 8.474 -19.899 1.00 72.33 H new ATOM 1623 N VAL A 100 -1.146 9.990 -17.137 1.00 42.13 N ATOM 1624 CA VAL A 100 -0.504 10.927 -16.173 1.00 1.20 C ATOM 1625 C VAL A 100 0.453 10.158 -15.252 1.00 52.11 C ATOM 1626 O VAL A 100 1.454 9.630 -15.695 1.00 54.30 O ATOM 1627 CB VAL A 100 -1.665 11.537 -15.388 1.00 44.23 C ATOM 1628 CG1 VAL A 100 -1.153 12.689 -14.523 1.00 13.14 C ATOM 1629 CG2 VAL A 100 -2.719 12.064 -16.366 1.00 52.11 C ATOM 0 H VAL A 100 -1.015 10.222 -18.122 1.00 42.13 H new ATOM 0 HA VAL A 100 0.092 11.696 -16.664 1.00 1.20 H new ATOM 0 HB VAL A 100 -2.108 10.774 -14.748 1.00 44.23 H new ATOM 0 HG11 VAL A 100 -1.983 13.122 -13.965 1.00 13.14 H new ATOM 0 HG12 VAL A 100 -0.403 12.315 -13.826 1.00 13.14 H new ATOM 0 HG13 VAL A 100 -0.707 13.453 -15.161 1.00 13.14 H new ATOM 0 HG21 VAL A 100 -3.548 12.499 -15.808 1.00 52.11 H new ATOM 0 HG22 VAL A 100 -2.273 12.825 -17.006 1.00 52.11 H new ATOM 0 HG23 VAL A 100 -3.087 11.243 -16.981 1.00 52.11 H new ATOM 1639 N MET A 101 0.164 10.084 -13.978 1.00 43.35 N ATOM 1640 CA MET A 101 1.071 9.344 -13.053 1.00 12.23 C ATOM 1641 C MET A 101 0.453 9.264 -11.655 1.00 43.11 C ATOM 1642 O MET A 101 -0.437 10.018 -11.314 1.00 52.15 O ATOM 1643 CB MET A 101 2.358 10.166 -13.024 1.00 12.14 C ATOM 1644 CG MET A 101 2.047 11.585 -12.545 1.00 71.10 C ATOM 1645 SD MET A 101 3.350 12.712 -13.101 1.00 42.43 S ATOM 1646 CE MET A 101 4.713 11.954 -12.186 1.00 73.14 C ATOM 0 H MET A 101 -0.657 10.502 -13.541 1.00 43.35 H new ATOM 0 HA MET A 101 1.248 8.319 -13.379 1.00 12.23 H new ATOM 0 HB2 MET A 101 3.086 9.698 -12.361 1.00 12.14 H new ATOM 0 HB3 MET A 101 2.805 10.196 -14.018 1.00 12.14 H new ATOM 0 HG2 MET A 101 1.082 11.908 -12.935 1.00 71.10 H new ATOM 0 HG3 MET A 101 1.974 11.605 -11.458 1.00 71.10 H new ATOM 0 HE1 MET A 101 5.543 12.658 -12.120 1.00 73.14 H new ATOM 0 HE2 MET A 101 4.377 11.694 -11.182 1.00 73.14 H new ATOM 0 HE3 MET A 101 5.042 11.053 -12.703 1.00 73.14 H new ATOM 1656 N GLY A 102 0.920 8.357 -10.842 1.00 72.40 N ATOM 1657 CA GLY A 102 0.363 8.230 -9.467 1.00 74.34 C ATOM 1658 C GLY A 102 1.507 8.235 -8.452 1.00 41.41 C ATOM 1659 O GLY A 102 2.489 7.537 -8.608 1.00 25.15 O ATOM 0 H GLY A 102 1.664 7.698 -11.071 1.00 72.40 H new ATOM 0 HA2 GLY A 102 -0.322 9.053 -9.263 1.00 74.34 H new ATOM 0 HA3 GLY A 102 -0.211 7.308 -9.379 1.00 74.34 H new ATOM 1663 N GLN A 103 1.393 9.022 -7.420 1.00 74.11 N ATOM 1664 CA GLN A 103 2.481 9.071 -6.400 1.00 22.15 C ATOM 1665 C GLN A 103 1.894 8.967 -4.990 1.00 41.51 C ATOM 1666 O GLN A 103 0.693 8.923 -4.806 1.00 1.42 O ATOM 1667 CB GLN A 103 3.152 10.431 -6.606 1.00 11.33 C ATOM 1668 CG GLN A 103 2.134 11.550 -6.376 1.00 21.24 C ATOM 1669 CD GLN A 103 2.308 12.117 -4.966 1.00 11.24 C ATOM 1670 OE1 GLN A 103 3.401 12.124 -4.434 1.00 62.31 O ATOM 1671 NE2 GLN A 103 1.270 12.595 -4.336 1.00 15.15 N ATOM 0 H GLN A 103 0.597 9.633 -7.237 1.00 74.11 H new ATOM 0 HA GLN A 103 3.186 8.247 -6.508 1.00 22.15 H new ATOM 0 HB2 GLN A 103 3.990 10.542 -5.918 1.00 11.33 H new ATOM 0 HB3 GLN A 103 3.558 10.498 -7.615 1.00 11.33 H new ATOM 0 HG2 GLN A 103 2.271 12.339 -7.116 1.00 21.24 H new ATOM 0 HG3 GLN A 103 1.122 11.167 -6.503 1.00 21.24 H new ATOM 0 HE21 GLN A 103 0.354 12.588 -4.784 1.00 15.15 H new ATOM 0 HE22 GLN A 103 1.375 12.975 -3.395 1.00 15.15 H new ATOM 1680 N LYS A 104 2.734 8.924 -3.992 1.00 34.33 N ATOM 1681 CA LYS A 104 2.230 8.819 -2.592 1.00 62.50 C ATOM 1682 C LYS A 104 2.639 10.055 -1.786 1.00 12.42 C ATOM 1683 O LYS A 104 3.516 10.800 -2.177 1.00 71.32 O ATOM 1684 CB LYS A 104 2.898 7.568 -2.024 1.00 15.21 C ATOM 1685 CG LYS A 104 1.936 6.863 -1.066 1.00 72.23 C ATOM 1686 CD LYS A 104 2.298 7.221 0.376 1.00 11.32 C ATOM 1687 CE LYS A 104 2.962 6.020 1.050 1.00 43.30 C ATOM 1688 NZ LYS A 104 4.247 6.543 1.587 1.00 32.33 N ATOM 0 H LYS A 104 3.749 8.957 -4.085 1.00 34.33 H new ATOM 0 HA LYS A 104 1.143 8.758 -2.550 1.00 62.50 H new ATOM 0 HB2 LYS A 104 3.180 6.895 -2.833 1.00 15.21 H new ATOM 0 HB3 LYS A 104 3.815 7.839 -1.501 1.00 15.21 H new ATOM 0 HG2 LYS A 104 0.910 7.162 -1.279 1.00 72.23 H new ATOM 0 HG3 LYS A 104 1.990 5.784 -1.208 1.00 72.23 H new ATOM 0 HD2 LYS A 104 2.972 8.078 0.391 1.00 11.32 H new ATOM 0 HD3 LYS A 104 1.402 7.510 0.926 1.00 11.32 H new ATOM 0 HE2 LYS A 104 2.336 5.618 1.846 1.00 43.30 H new ATOM 0 HE3 LYS A 104 3.131 5.212 0.339 1.00 43.30 H new ATOM 0 HZ1 LYS A 104 4.613 5.890 2.308 1.00 32.33 H new ATOM 0 HZ2 LYS A 104 4.938 6.628 0.814 1.00 32.33 H new ATOM 0 HZ3 LYS A 104 4.090 7.478 2.015 1.00 32.33 H new ATOM 1702 N THR A 105 2.012 10.277 -0.663 1.00 61.52 N ATOM 1703 CA THR A 105 2.368 11.465 0.163 1.00 55.11 C ATOM 1704 C THR A 105 2.627 11.045 1.613 1.00 14.15 C ATOM 1705 O THR A 105 2.178 10.008 2.060 1.00 74.13 O ATOM 1706 CB THR A 105 1.148 12.384 0.083 1.00 51.15 C ATOM 1707 OG1 THR A 105 0.488 12.185 -1.159 1.00 22.41 O ATOM 1708 CG2 THR A 105 1.598 13.840 0.200 1.00 13.23 C ATOM 0 H THR A 105 1.271 9.689 -0.283 1.00 61.52 H new ATOM 0 HA THR A 105 3.274 11.956 -0.192 1.00 55.11 H new ATOM 0 HB THR A 105 0.462 12.153 0.898 1.00 51.15 H new ATOM 0 HG1 THR A 105 -0.295 12.772 -1.211 1.00 22.41 H new ATOM 0 HG21 THR A 105 0.729 14.495 0.143 1.00 13.23 H new ATOM 0 HG22 THR A 105 2.103 13.989 1.154 1.00 13.23 H new ATOM 0 HG23 THR A 105 2.284 14.075 -0.614 1.00 13.23 H new ATOM 1716 N ASP A 106 3.347 11.846 2.352 1.00 3.22 N ATOM 1717 CA ASP A 106 3.632 11.496 3.773 1.00 21.52 C ATOM 1718 C ASP A 106 2.985 12.523 4.708 1.00 72.22 C ATOM 1719 O ASP A 106 2.413 13.500 4.269 1.00 61.20 O ATOM 1720 CB ASP A 106 5.157 11.545 3.894 1.00 23.21 C ATOM 1721 CG ASP A 106 5.749 10.212 3.434 1.00 13.51 C ATOM 1722 OD1 ASP A 106 5.001 9.401 2.914 1.00 4.21 O ATOM 1723 OD2 ASP A 106 6.941 10.024 3.609 1.00 11.12 O ATOM 0 H ASP A 106 3.750 12.727 2.033 1.00 3.22 H new ATOM 0 HA ASP A 106 3.233 10.520 4.048 1.00 21.52 H new ATOM 0 HB2 ASP A 106 5.554 12.360 3.289 1.00 23.21 H new ATOM 0 HB3 ASP A 106 5.444 11.746 4.926 1.00 23.21 H new ATOM 1728 N ASP A 107 3.074 12.308 5.992 1.00 63.04 N ATOM 1729 CA ASP A 107 2.463 13.273 6.952 1.00 72.20 C ATOM 1730 C ASP A 107 3.559 14.051 7.688 1.00 14.33 C ATOM 1731 O ASP A 107 4.736 13.839 7.473 1.00 24.41 O ATOM 1732 CB ASP A 107 1.672 12.407 7.933 1.00 32.51 C ATOM 1733 CG ASP A 107 0.186 12.460 7.577 1.00 14.15 C ATOM 1734 OD1 ASP A 107 -0.157 13.178 6.651 1.00 13.11 O ATOM 1735 OD2 ASP A 107 -0.586 11.783 8.237 1.00 41.05 O ATOM 0 H ASP A 107 3.542 11.508 6.418 1.00 63.04 H new ATOM 0 HA ASP A 107 1.830 14.008 6.454 1.00 72.20 H new ATOM 0 HB2 ASP A 107 2.029 11.378 7.896 1.00 32.51 H new ATOM 0 HB3 ASP A 107 1.825 12.761 8.952 1.00 32.51 H new ATOM 1740 N THR A 108 3.183 14.949 8.555 1.00 63.01 N ATOM 1741 CA THR A 108 4.204 15.736 9.301 1.00 64.21 C ATOM 1742 C THR A 108 5.058 14.807 10.168 1.00 43.33 C ATOM 1743 O THR A 108 5.290 13.664 9.825 1.00 74.13 O ATOM 1744 CB THR A 108 3.401 16.704 10.174 1.00 12.40 C ATOM 1745 OG1 THR A 108 2.763 15.978 11.217 1.00 45.21 O ATOM 1746 CG2 THR A 108 2.346 17.407 9.320 1.00 60.25 C ATOM 0 H THR A 108 2.213 15.172 8.779 1.00 63.01 H new ATOM 0 HA THR A 108 4.887 16.263 8.635 1.00 64.21 H new ATOM 0 HB THR A 108 4.071 17.448 10.605 1.00 12.40 H new ATOM 0 HG1 THR A 108 2.249 16.595 11.779 1.00 45.21 H new ATOM 0 HG21 THR A 108 1.775 18.096 9.942 1.00 60.25 H new ATOM 0 HG22 THR A 108 2.836 17.962 8.520 1.00 60.25 H new ATOM 0 HG23 THR A 108 1.674 16.665 8.888 1.00 60.25 H new ATOM 1754 N ASN A 109 5.525 15.283 11.288 1.00 34.12 N ATOM 1755 CA ASN A 109 6.363 14.425 12.173 1.00 60.40 C ATOM 1756 C ASN A 109 5.553 13.973 13.392 1.00 73.00 C ATOM 1757 O ASN A 109 6.087 13.408 14.328 1.00 70.32 O ATOM 1758 CB ASN A 109 7.527 15.317 12.603 1.00 33.24 C ATOM 1759 CG ASN A 109 8.818 14.498 12.633 1.00 64.20 C ATOM 1760 OD1 ASN A 109 9.583 14.585 13.574 1.00 14.11 O ATOM 1761 ND2 ASN A 109 9.094 13.700 11.639 1.00 12.32 N ATOM 0 H ASN A 109 5.363 16.230 11.630 1.00 34.12 H new ATOM 0 HA ASN A 109 6.707 13.522 11.668 1.00 60.40 H new ATOM 0 HB2 ASN A 109 7.631 16.154 11.912 1.00 33.24 H new ATOM 0 HB3 ASN A 109 7.330 15.740 13.588 1.00 33.24 H new ATOM 0 HD21 ASN A 109 9.952 13.148 11.651 1.00 12.32 H new ATOM 0 HD22 ASN A 109 8.452 13.627 10.850 1.00 12.32 H new ATOM 1768 N LYS A 110 4.272 14.217 13.389 1.00 11.20 N ATOM 1769 CA LYS A 110 3.431 13.802 14.549 1.00 10.11 C ATOM 1770 C LYS A 110 4.056 14.293 15.857 1.00 73.21 C ATOM 1771 O LYS A 110 4.482 13.457 16.638 1.00 24.04 O ATOM 1772 CB LYS A 110 3.419 12.275 14.503 1.00 72.00 C ATOM 1773 CG LYS A 110 2.538 11.805 13.345 1.00 0.14 C ATOM 1774 CD LYS A 110 2.217 10.322 13.523 1.00 53.12 C ATOM 1775 CE LYS A 110 1.167 10.156 14.622 1.00 43.13 C ATOM 1776 NZ LYS A 110 0.259 9.083 14.127 1.00 51.32 N ATOM 0 H LYS A 110 3.770 14.685 12.634 1.00 11.20 H new ATOM 0 HA LYS A 110 2.425 14.220 14.500 1.00 10.11 H new ATOM 0 HB2 LYS A 110 4.434 11.897 14.378 1.00 72.00 H new ATOM 0 HB3 LYS A 110 3.043 11.875 15.445 1.00 72.00 H new ATOM 0 HG2 LYS A 110 1.617 12.387 13.315 1.00 0.14 H new ATOM 0 HG3 LYS A 110 3.049 11.967 12.396 1.00 0.14 H new ATOM 0 HD2 LYS A 110 1.848 9.904 12.586 1.00 53.12 H new ATOM 0 HD3 LYS A 110 3.121 9.772 13.783 1.00 53.12 H new ATOM 0 HE2 LYS A 110 1.628 9.877 15.570 1.00 43.13 H new ATOM 0 HE3 LYS A 110 0.624 11.085 14.793 1.00 43.13 H new ATOM 0 HZ1 LYS A 110 -0.490 8.911 14.828 1.00 51.32 H new ATOM 0 HZ2 LYS A 110 -0.170 9.379 13.227 1.00 51.32 H new ATOM 0 HZ3 LYS A 110 0.803 8.209 13.980 1.00 51.32 H new TER 1790 LYS A 110