USER MOD reduce.3.24.130724 H: found=0, std=0, add=1513, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1516 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: B 6 LYS NZ :NH3+ 152:sc= 0.865 (180deg=-0.108) USER MOD Set 1.2: B 12 THR OG1 : rot 161:sc= 0.726 USER MOD Set 2.1: A 125 ASN : amide:sc= 0.856 K(o=1.2,f=-2.3!) USER MOD Set 2.2: A 129 ASN : amide:sc= 0.355 K(o=1.2,f=-2.3) USER MOD Set 3.1: A 116 GLN : amide:sc= 0 K(o=1.1,f=-1.1) USER MOD Set 3.2: A 120 HIS : no HD1:sc= 1.13 K(o=1.1,f=-5.5!) USER MOD Set 4.1: A 102 SER OG : rot 117:sc= 0.0973 USER MOD Set 4.2: B 66 THR OG1 : rot -179:sc= 0.143 USER MOD Set 5.1: A 52 THR OG1 : rot 114:sc= 1.71 USER MOD Set 5.2: A 58 HIS : no HE2:sc= 0.31 K(o=2,f=-1.1) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= 2.34 (180deg=0.407) USER MOD Single : A 31 MET CE :methyl -174:sc= 0 (180deg=-0.0249) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -32:sc= 0.406 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -97:sc= -0.197 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0128 K(o=-0.013,f=-0.92) USER MOD Single : A 51 GLN : amide:sc= 0.0377 K(o=0.038,f=-0.68) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -103:sc= 1.24 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 66 SER OG : rot -81:sc= 1.27 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -113:sc= -4.03! USER MOD Single : A 83 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.07) USER MOD Single : A 87 GLN : amide:sc= -0.045 K(o=-0.045,f=-0.9) USER MOD Single : A 88 CYS SG : rot -150:sc= 0 USER MOD Single : A 90 SER OG : rot -149:sc= -0.452 USER MOD Single : A 94 TYR OH : rot -150:sc= 1.13 USER MOD Single : A 97 LYS NZ :NH3+ -127:sc= 1.24 (180deg=0.896) USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.02) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.888 K(o=-0.89,f=-1.5) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 121 CYS SG : rot 53:sc= 0.0652 USER MOD Single : A 123 LYS NZ :NH3+ -159:sc= -0.117 (180deg=-0.53) USER MOD Single : A 127 CYS SG : rot 74:sc= 0.675 USER MOD Single : A 130 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.4!) USER MOD Single : B 1 MET CE :methyl -143:sc= 0 (180deg=-1.42) USER MOD Single : B 1 MET N :NH3+ 150:sc= 1.22 (180deg=1.08) USER MOD Single : B 2 GLN : amide:sc= 1.04 K(o=1,f=-1.8) USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.0934 USER MOD Single : B 9 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : B 11 LYS NZ :NH3+ 154:sc= 0.591 (180deg=-0.24!) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : B 25 ASN : amide:sc= 1.04 K(o=1,f=-0.89) USER MOD Single : B 27 LYS NZ :NH3+ -108:sc= 1.26 (180deg=0.306) USER MOD Single : B 29 LYS NZ :NH3+ -154:sc= 0.753 (180deg=0.355) USER MOD Single : B 31 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.5) USER MOD Single : B 33 LYS NZ :NH3+ 170:sc= 0.698 (180deg=0.639) USER MOD Single : B 40 GLN : amide:sc= 1.08 K(o=1.1,f=-1.9!) USER MOD Single : B 41 GLN : amide:sc= -0.279 K(o=-0.28,f=-5.5!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -0.92 K(o=-0.92,f=-2!) USER MOD Single : B 55 THR OG1 : rot -69:sc= 1.28 USER MOD Single : B 57 SER OG : rot 73:sc= 1.23 USER MOD Single : B 59 TYR OH : rot 100:sc= 0.942 USER MOD Single : B 60 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : B 62 GLN : amide:sc= 0.875 K(o=0.87,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot 67:sc= 0.8 USER MOD Single : B 68 HIS : +bothHN:sc= 1.39 K(o=1.4,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 22 11.982 -8.442 -9.492 1.00 45.61 N ATOM 2 CA TYR A 22 11.118 -7.839 -8.450 1.00 43.51 C ATOM 3 C TYR A 22 11.675 -8.151 -7.070 1.00 43.60 C ATOM 4 O TYR A 22 12.551 -9.005 -6.925 1.00 44.61 O ATOM 5 CB TYR A 22 9.687 -8.384 -8.543 1.00 47.56 C ATOM 6 CG TYR A 22 9.159 -8.524 -9.952 1.00 46.63 C ATOM 7 CD1 TYR A 22 9.046 -7.423 -10.792 1.00 50.27 C ATOM 8 CD2 TYR A 22 8.763 -9.764 -10.436 1.00 46.46 C ATOM 9 CE1 TYR A 22 8.555 -7.556 -12.076 1.00 50.44 C ATOM 10 CE2 TYR A 22 8.269 -9.904 -11.717 1.00 48.24 C ATOM 11 CZ TYR A 22 8.167 -8.798 -12.533 1.00 52.62 C ATOM 12 OH TYR A 22 7.667 -8.935 -13.807 1.00 54.99 O ATOM 0 HA TYR A 22 11.100 -6.761 -8.610 1.00 43.51 H new ATOM 0 HB2 TYR A 22 9.651 -9.359 -8.057 1.00 47.56 H new ATOM 0 HB3 TYR A 22 9.024 -7.724 -7.984 1.00 47.56 H new ATOM 0 HD1 TYR A 22 9.347 -6.449 -10.436 1.00 50.27 H new ATOM 0 HD2 TYR A 22 8.843 -10.633 -9.800 1.00 46.46 H new ATOM 0 HE1 TYR A 22 8.475 -6.692 -12.719 1.00 50.44 H new ATOM 0 HE2 TYR A 22 7.964 -10.875 -12.078 1.00 48.24 H new ATOM 0 HH TYR A 22 7.443 -9.875 -13.971 1.00 54.99 H new ATOM 24 N LEU A 23 11.160 -7.465 -6.053 1.00 31.65 N ATOM 25 CA LEU A 23 11.603 -7.689 -4.683 1.00 32.60 C ATOM 26 C LEU A 23 10.920 -8.931 -4.124 1.00 33.92 C ATOM 27 O LEU A 23 11.558 -9.799 -3.527 1.00 33.21 O ATOM 28 CB LEU A 23 11.275 -6.473 -3.814 1.00 31.36 C ATOM 29 CG LEU A 23 11.870 -5.146 -4.293 1.00 32.85 C ATOM 30 CD1 LEU A 23 11.269 -3.986 -3.517 1.00 37.08 C ATOM 31 CD2 LEU A 23 13.386 -5.156 -4.151 1.00 41.11 C ATOM 0 H LEU A 23 10.438 -6.752 -6.153 1.00 31.65 H new ATOM 0 HA LEU A 23 12.683 -7.838 -4.677 1.00 32.60 H new ATOM 0 HB2 LEU A 23 10.191 -6.368 -3.760 1.00 31.36 H new ATOM 0 HB3 LEU A 23 11.628 -6.666 -2.801 1.00 31.36 H new ATOM 0 HG LEU A 23 11.627 -5.020 -5.348 1.00 32.85 H new ATOM 0 HD11 LEU A 23 11.702 -3.050 -3.869 1.00 37.08 H new ATOM 0 HD12 LEU A 23 10.190 -3.967 -3.669 1.00 37.08 H new ATOM 0 HD13 LEU A 23 11.483 -4.108 -2.455 1.00 37.08 H new ATOM 0 HD21 LEU A 23 13.790 -4.204 -4.497 1.00 41.11 H new ATOM 0 HD22 LEU A 23 13.652 -5.305 -3.105 1.00 41.11 H new ATOM 0 HD23 LEU A 23 13.802 -5.966 -4.750 1.00 41.11 H new ATOM 43 N VAL A 24 9.611 -9.005 -4.327 1.00 28.03 N ATOM 44 CA VAL A 24 8.813 -10.130 -3.866 1.00 29.15 C ATOM 45 C VAL A 24 7.892 -10.576 -4.994 1.00 22.96 C ATOM 46 O VAL A 24 7.384 -9.733 -5.733 1.00 24.25 O ATOM 47 CB VAL A 24 7.963 -9.758 -2.627 1.00 32.80 C ATOM 48 CG1 VAL A 24 7.184 -10.962 -2.118 1.00 42.00 C ATOM 49 CG2 VAL A 24 8.835 -9.183 -1.524 1.00 41.63 C ATOM 0 H VAL A 24 9.075 -8.288 -4.815 1.00 28.03 H new ATOM 0 HA VAL A 24 9.489 -10.935 -3.579 1.00 29.15 H new ATOM 0 HB VAL A 24 7.248 -8.994 -2.931 1.00 32.80 H new ATOM 0 HG11 VAL A 24 6.595 -10.673 -1.247 1.00 42.00 H new ATOM 0 HG12 VAL A 24 6.519 -11.323 -2.902 1.00 42.00 H new ATOM 0 HG13 VAL A 24 7.879 -11.754 -1.839 1.00 42.00 H new ATOM 0 HG21 VAL A 24 8.214 -8.930 -0.664 1.00 41.63 H new ATOM 0 HG22 VAL A 24 9.581 -9.921 -1.228 1.00 41.63 H new ATOM 0 HG23 VAL A 24 9.336 -8.286 -1.887 1.00 41.63 H new ATOM 59 N GLU A 25 7.716 -11.881 -5.151 1.00 24.89 N ATOM 60 CA GLU A 25 6.846 -12.420 -6.192 1.00 23.60 C ATOM 61 C GLU A 25 6.349 -13.811 -5.805 1.00 24.58 C ATOM 62 O GLU A 25 7.139 -14.682 -5.433 1.00 25.27 O ATOM 63 CB GLU A 25 7.579 -12.483 -7.541 1.00 29.00 C ATOM 64 CG GLU A 25 8.950 -13.140 -7.467 1.00 33.54 C ATOM 65 CD GLU A 25 9.314 -13.872 -8.742 1.00 42.16 C ATOM 66 OE1 GLU A 25 9.826 -13.226 -9.682 1.00 44.93 O ATOM 67 OE2 GLU A 25 9.099 -15.099 -8.807 1.00 53.32 O ATOM 0 H GLU A 25 8.165 -12.589 -4.570 1.00 24.89 H new ATOM 0 HA GLU A 25 5.990 -11.753 -6.293 1.00 23.60 H new ATOM 0 HB2 GLU A 25 6.962 -13.031 -8.253 1.00 29.00 H new ATOM 0 HB3 GLU A 25 7.692 -11.471 -7.930 1.00 29.00 H new ATOM 0 HG2 GLU A 25 9.703 -12.379 -7.262 1.00 33.54 H new ATOM 0 HG3 GLU A 25 8.969 -13.841 -6.632 1.00 33.54 H new ATOM 74 N PHE A 26 5.042 -14.016 -5.868 1.00 22.47 N ATOM 75 CA PHE A 26 4.467 -15.305 -5.525 1.00 21.66 C ATOM 76 C PHE A 26 3.189 -15.569 -6.315 1.00 24.04 C ATOM 77 O PHE A 26 2.524 -14.644 -6.787 1.00 22.30 O ATOM 78 CB PHE A 26 4.199 -15.413 -4.016 1.00 23.47 C ATOM 79 CG PHE A 26 3.356 -14.302 -3.449 1.00 21.92 C ATOM 80 CD1 PHE A 26 3.939 -13.120 -3.022 1.00 23.12 C ATOM 81 CD2 PHE A 26 1.984 -14.444 -3.337 1.00 22.79 C ATOM 82 CE1 PHE A 26 3.168 -12.101 -2.497 1.00 24.88 C ATOM 83 CE2 PHE A 26 1.208 -13.429 -2.812 1.00 25.76 C ATOM 84 CZ PHE A 26 1.802 -12.257 -2.392 1.00 26.66 C ATOM 0 H PHE A 26 4.364 -13.309 -6.152 1.00 22.47 H new ATOM 0 HA PHE A 26 5.197 -16.068 -5.795 1.00 21.66 H new ATOM 0 HB2 PHE A 26 3.706 -16.364 -3.815 1.00 23.47 H new ATOM 0 HB3 PHE A 26 5.154 -15.431 -3.491 1.00 23.47 H new ATOM 0 HD1 PHE A 26 5.009 -12.994 -3.100 1.00 23.12 H new ATOM 0 HD2 PHE A 26 1.514 -15.360 -3.664 1.00 22.79 H new ATOM 0 HE1 PHE A 26 3.634 -11.184 -2.169 1.00 24.88 H new ATOM 0 HE2 PHE A 26 0.138 -13.553 -2.731 1.00 25.76 H new ATOM 0 HZ PHE A 26 1.197 -11.462 -1.981 1.00 26.66 H new ATOM 94 N ARG A 27 2.864 -16.844 -6.465 1.00 22.71 N ATOM 95 CA ARG A 27 1.676 -17.268 -7.192 1.00 22.16 C ATOM 96 C ARG A 27 0.449 -17.246 -6.283 1.00 22.93 C ATOM 97 O ARG A 27 0.352 -18.028 -5.331 1.00 23.03 O ATOM 98 CB ARG A 27 1.888 -18.679 -7.752 1.00 25.12 C ATOM 99 CG ARG A 27 3.076 -18.786 -8.698 1.00 24.95 C ATOM 100 CD ARG A 27 3.516 -20.225 -8.884 1.00 29.77 C ATOM 101 NE ARG A 27 3.902 -20.851 -7.620 1.00 40.26 N ATOM 102 CZ ARG A 27 4.297 -22.119 -7.504 1.00 43.84 C ATOM 103 NH1 ARG A 27 4.422 -22.890 -8.575 1.00 42.26 N ATOM 104 NH2 ARG A 27 4.593 -22.616 -6.317 1.00 53.40 N ATOM 0 H ARG A 27 3.416 -17.614 -6.087 1.00 22.71 H new ATOM 0 HA ARG A 27 1.506 -16.574 -8.015 1.00 22.16 H new ATOM 0 HB2 ARG A 27 2.030 -19.372 -6.923 1.00 25.12 H new ATOM 0 HB3 ARG A 27 0.986 -18.992 -8.278 1.00 25.12 H new ATOM 0 HG2 ARG A 27 2.811 -18.358 -9.665 1.00 24.95 H new ATOM 0 HG3 ARG A 27 3.907 -18.199 -8.307 1.00 24.95 H new ATOM 0 HD2 ARG A 27 2.706 -20.795 -9.338 1.00 29.77 H new ATOM 0 HD3 ARG A 27 4.357 -20.260 -9.577 1.00 29.77 H new ATOM 0 HE ARG A 27 3.867 -20.282 -6.774 1.00 40.26 H new ATOM 0 HH11 ARG A 27 4.215 -22.515 -9.501 1.00 42.26 H new ATOM 0 HH12 ARG A 27 4.725 -23.859 -8.474 1.00 42.26 H new ATOM 0 HH21 ARG A 27 4.520 -22.029 -5.486 1.00 53.40 H new ATOM 0 HH22 ARG A 27 4.895 -23.587 -6.231 1.00 53.40 H new ATOM 118 N ALA A 28 -0.480 -16.348 -6.571 1.00 21.69 N ATOM 119 CA ALA A 28 -1.697 -16.225 -5.782 1.00 21.30 C ATOM 120 C ALA A 28 -2.811 -15.584 -6.599 1.00 21.54 C ATOM 121 O ALA A 28 -2.560 -14.729 -7.452 1.00 22.17 O ATOM 122 CB ALA A 28 -1.436 -15.419 -4.519 1.00 23.20 C ATOM 0 H ALA A 28 -0.414 -15.691 -7.348 1.00 21.69 H new ATOM 0 HA ALA A 28 -2.016 -17.227 -5.495 1.00 21.30 H new ATOM 0 HB1 ALA A 28 -2.357 -15.338 -3.942 1.00 23.20 H new ATOM 0 HB2 ALA A 28 -0.675 -15.919 -3.919 1.00 23.20 H new ATOM 0 HB3 ALA A 28 -1.088 -14.422 -4.789 1.00 23.20 H new ATOM 128 N GLY A 29 -4.038 -16.001 -6.336 1.00 21.31 N ATOM 129 CA GLY A 29 -5.171 -15.460 -7.049 1.00 23.36 C ATOM 130 C GLY A 29 -5.786 -14.296 -6.304 1.00 24.59 C ATOM 131 O GLY A 29 -5.769 -14.266 -5.075 1.00 24.46 O ATOM 0 H GLY A 29 -4.269 -16.708 -5.638 1.00 21.31 H new ATOM 0 HA2 GLY A 29 -4.857 -15.134 -8.041 1.00 23.36 H new ATOM 0 HA3 GLY A 29 -5.920 -16.239 -7.191 1.00 23.36 H new ATOM 135 N LYS A 30 -6.325 -13.338 -7.039 1.00 23.00 N ATOM 136 CA LYS A 30 -6.941 -12.169 -6.430 1.00 21.15 C ATOM 137 C LYS A 30 -8.447 -12.358 -6.314 1.00 23.64 C ATOM 138 O LYS A 30 -8.987 -13.380 -6.733 1.00 24.84 O ATOM 139 CB LYS A 30 -6.638 -10.915 -7.255 1.00 23.49 C ATOM 140 CG LYS A 30 -7.414 -10.833 -8.562 1.00 27.46 C ATOM 141 CD LYS A 30 -7.012 -9.607 -9.364 1.00 31.74 C ATOM 142 CE LYS A 30 -8.038 -9.275 -10.434 1.00 38.65 C ATOM 143 NZ LYS A 30 -7.613 -8.123 -11.270 1.00 36.43 N ATOM 0 H LYS A 30 -6.349 -13.346 -8.059 1.00 23.00 H new ATOM 0 HA LYS A 30 -6.524 -12.046 -5.431 1.00 21.15 H new ATOM 0 HB2 LYS A 30 -6.863 -10.034 -6.654 1.00 23.49 H new ATOM 0 HB3 LYS A 30 -5.571 -10.886 -7.475 1.00 23.49 H new ATOM 0 HG2 LYS A 30 -7.234 -11.732 -9.152 1.00 27.46 H new ATOM 0 HG3 LYS A 30 -8.483 -10.799 -8.352 1.00 27.46 H new ATOM 0 HD2 LYS A 30 -6.897 -8.755 -8.694 1.00 31.74 H new ATOM 0 HD3 LYS A 30 -6.042 -9.779 -9.831 1.00 31.74 H new ATOM 0 HE2 LYS A 30 -8.195 -10.147 -11.070 1.00 38.65 H new ATOM 0 HE3 LYS A 30 -8.994 -9.048 -9.962 1.00 38.65 H new ATOM 0 HZ1 LYS A 30 -8.331 -7.372 -11.217 1.00 36.43 H new ATOM 0 HZ2 LYS A 30 -6.704 -7.758 -10.922 1.00 36.43 H new ATOM 0 HZ3 LYS A 30 -7.507 -8.431 -12.258 1.00 36.43 H new ATOM 157 N MET A 31 -9.118 -11.377 -5.734 1.00 25.36 N ATOM 158 CA MET A 31 -10.561 -11.421 -5.580 1.00 27.00 C ATOM 159 C MET A 31 -11.144 -10.096 -6.044 1.00 27.82 C ATOM 160 O MET A 31 -10.480 -9.063 -5.962 1.00 32.62 O ATOM 161 CB MET A 31 -10.952 -11.697 -4.125 1.00 24.59 C ATOM 162 CG MET A 31 -10.293 -12.934 -3.534 1.00 24.61 C ATOM 163 SD MET A 31 -11.250 -13.667 -2.194 1.00 26.00 S ATOM 164 CE MET A 31 -10.126 -14.951 -1.646 1.00 24.15 C ATOM 0 H MET A 31 -8.682 -10.535 -5.360 1.00 25.36 H new ATOM 0 HA MET A 31 -10.961 -12.234 -6.186 1.00 27.00 H new ATOM 0 HB2 MET A 31 -10.688 -10.831 -3.518 1.00 24.59 H new ATOM 0 HB3 MET A 31 -12.034 -11.810 -4.065 1.00 24.59 H new ATOM 0 HG2 MET A 31 -10.152 -13.675 -4.321 1.00 24.61 H new ATOM 0 HG3 MET A 31 -9.302 -12.670 -3.164 1.00 24.61 H new ATOM 0 HE1 MET A 31 -10.616 -15.565 -0.890 1.00 24.15 H new ATOM 0 HE2 MET A 31 -9.845 -15.575 -2.494 1.00 24.15 H new ATOM 0 HE3 MET A 31 -9.233 -14.495 -1.220 1.00 24.15 H new ATOM 174 N SER A 32 -12.366 -10.127 -6.548 1.00 25.88 N ATOM 175 CA SER A 32 -13.015 -8.921 -7.033 1.00 31.55 C ATOM 176 C SER A 32 -14.356 -8.707 -6.342 1.00 35.12 C ATOM 177 O SER A 32 -15.088 -9.660 -6.069 1.00 33.62 O ATOM 178 CB SER A 32 -13.199 -9.003 -8.550 1.00 37.48 C ATOM 179 OG SER A 32 -11.952 -9.232 -9.195 1.00 45.53 O ATOM 0 H SER A 32 -12.928 -10.974 -6.632 1.00 25.88 H new ATOM 0 HA SER A 32 -12.379 -8.067 -6.799 1.00 31.55 H new ATOM 0 HB2 SER A 32 -13.894 -9.807 -8.794 1.00 37.48 H new ATOM 0 HB3 SER A 32 -13.640 -8.077 -8.919 1.00 37.48 H new ATOM 0 HG SER A 32 -12.089 -9.283 -10.164 1.00 45.53 H new ATOM 185 N LEU A 33 -14.669 -7.452 -6.057 1.00 42.07 N ATOM 186 CA LEU A 33 -15.916 -7.105 -5.399 1.00 44.29 C ATOM 187 C LEU A 33 -17.057 -7.046 -6.405 1.00 50.09 C ATOM 188 O LEU A 33 -17.227 -6.049 -7.105 1.00 52.46 O ATOM 189 CB LEU A 33 -15.785 -5.757 -4.686 1.00 46.72 C ATOM 190 CG LEU A 33 -15.710 -5.827 -3.159 1.00 51.34 C ATOM 191 CD1 LEU A 33 -15.314 -4.477 -2.584 1.00 57.04 C ATOM 192 CD2 LEU A 33 -17.040 -6.282 -2.575 1.00 54.38 C ATOM 0 H LEU A 33 -14.072 -6.654 -6.273 1.00 42.07 H new ATOM 0 HA LEU A 33 -16.137 -7.878 -4.663 1.00 44.29 H new ATOM 0 HB2 LEU A 33 -14.890 -5.256 -5.054 1.00 46.72 H new ATOM 0 HB3 LEU A 33 -16.636 -5.134 -4.963 1.00 46.72 H new ATOM 0 HG LEU A 33 -14.948 -6.558 -2.888 1.00 51.34 H new ATOM 0 HD11 LEU A 33 -15.265 -4.545 -1.497 1.00 57.04 H new ATOM 0 HD12 LEU A 33 -14.338 -4.188 -2.974 1.00 57.04 H new ATOM 0 HD13 LEU A 33 -16.054 -3.729 -2.868 1.00 57.04 H new ATOM 0 HD21 LEU A 33 -16.965 -6.325 -1.488 1.00 54.38 H new ATOM 0 HD22 LEU A 33 -17.822 -5.577 -2.857 1.00 54.38 H new ATOM 0 HD23 LEU A 33 -17.288 -7.271 -2.961 1.00 54.38 H new ATOM 204 N LYS A 34 -17.827 -8.121 -6.487 1.00 52.69 N ATOM 205 CA LYS A 34 -18.951 -8.176 -7.402 1.00 53.15 C ATOM 206 C LYS A 34 -20.179 -7.574 -6.734 1.00 56.50 C ATOM 207 O LYS A 34 -20.880 -8.244 -5.969 1.00 56.84 O ATOM 208 CB LYS A 34 -19.220 -9.617 -7.838 1.00 2.00 C ATOM 209 CG LYS A 34 -20.300 -9.735 -8.899 1.00 2.00 C ATOM 210 CD LYS A 34 -20.241 -11.074 -9.614 1.00 2.00 C ATOM 211 CE LYS A 34 -20.523 -12.234 -8.671 1.00 2.00 C ATOM 212 NZ LYS A 34 -20.582 -13.531 -9.394 1.00 2.00 N ATOM 0 H LYS A 34 -17.692 -8.965 -5.930 1.00 52.69 H new ATOM 0 HA LYS A 34 -18.715 -7.597 -8.295 1.00 53.15 H new ATOM 0 HB2 LYS A 34 -18.296 -10.051 -8.221 1.00 2.00 H new ATOM 0 HB3 LYS A 34 -19.511 -10.204 -6.967 1.00 2.00 H new ATOM 0 HG2 LYS A 34 -21.279 -9.612 -8.437 1.00 2.00 H new ATOM 0 HG3 LYS A 34 -20.187 -8.930 -9.625 1.00 2.00 H new ATOM 0 HD2 LYS A 34 -20.966 -11.083 -10.428 1.00 2.00 H new ATOM 0 HD3 LYS A 34 -19.256 -11.203 -10.063 1.00 2.00 H new ATOM 0 HE2 LYS A 34 -19.747 -12.279 -7.907 1.00 2.00 H new ATOM 0 HE3 LYS A 34 -21.468 -12.062 -8.155 1.00 2.00 H new ATOM 0 HZ1 LYS A 34 -20.776 -14.297 -8.718 1.00 2.00 H new ATOM 0 HZ2 LYS A 34 -21.340 -13.498 -10.106 1.00 2.00 H new ATOM 0 HZ3 LYS A 34 -19.672 -13.707 -9.865 1.00 2.00 H new ATOM 226 N GLY A 35 -20.402 -6.294 -6.992 1.00 57.85 N ATOM 227 CA GLY A 35 -21.530 -5.598 -6.413 1.00 55.33 C ATOM 228 C GLY A 35 -21.287 -5.249 -4.959 1.00 54.05 C ATOM 229 O GLY A 35 -20.927 -4.118 -4.635 1.00 55.43 O ATOM 0 H GLY A 35 -19.815 -5.721 -7.598 1.00 57.85 H new ATOM 0 HA2 GLY A 35 -21.724 -4.687 -6.978 1.00 55.33 H new ATOM 0 HA3 GLY A 35 -22.422 -6.220 -6.494 1.00 55.33 H new ATOM 233 N THR A 36 -21.483 -6.219 -4.084 1.00 51.72 N ATOM 234 CA THR A 36 -21.267 -6.018 -2.662 1.00 51.05 C ATOM 235 C THR A 36 -20.680 -7.276 -2.023 1.00 46.50 C ATOM 236 O THR A 36 -20.493 -7.342 -0.806 1.00 45.65 O ATOM 237 CB THR A 36 -22.579 -5.618 -1.947 1.00 51.58 C ATOM 238 OG1 THR A 36 -22.303 -5.176 -0.612 1.00 60.43 O ATOM 239 CG2 THR A 36 -23.564 -6.777 -1.908 1.00 49.93 C ATOM 0 H THR A 36 -21.793 -7.158 -4.335 1.00 51.72 H new ATOM 0 HA THR A 36 -20.555 -5.201 -2.547 1.00 51.05 H new ATOM 0 HB THR A 36 -23.029 -4.803 -2.514 1.00 51.58 H new ATOM 0 HG1 THR A 36 -21.524 -5.657 -0.262 1.00 60.43 H new ATOM 0 HG21 THR A 36 -24.475 -6.463 -1.399 1.00 49.93 H new ATOM 0 HG22 THR A 36 -23.804 -7.085 -2.926 1.00 49.93 H new ATOM 0 HG23 THR A 36 -23.119 -7.615 -1.371 1.00 49.93 H new ATOM 247 N THR A 37 -20.370 -8.264 -2.850 1.00 41.86 N ATOM 248 CA THR A 37 -19.816 -9.513 -2.358 1.00 36.46 C ATOM 249 C THR A 37 -18.468 -9.795 -3.018 1.00 36.55 C ATOM 250 O THR A 37 -18.321 -9.652 -4.231 1.00 36.77 O ATOM 251 CB THR A 37 -20.784 -10.682 -2.618 1.00 40.82 C ATOM 252 OG1 THR A 37 -22.143 -10.217 -2.539 1.00 46.77 O ATOM 253 CG2 THR A 37 -20.569 -11.792 -1.599 1.00 40.62 C ATOM 0 H THR A 37 -20.493 -8.224 -3.862 1.00 41.86 H new ATOM 0 HA THR A 37 -19.670 -9.417 -1.282 1.00 36.46 H new ATOM 0 HB THR A 37 -20.589 -11.076 -3.615 1.00 40.82 H new ATOM 0 HG1 THR A 37 -22.755 -10.964 -2.707 1.00 46.77 H new ATOM 0 HG21 THR A 37 -21.262 -12.609 -1.799 1.00 40.62 H new ATOM 0 HG22 THR A 37 -19.545 -12.159 -1.671 1.00 40.62 H new ATOM 0 HG23 THR A 37 -20.746 -11.404 -0.596 1.00 40.62 H new ATOM 261 N VAL A 38 -17.486 -10.179 -2.214 1.00 33.78 N ATOM 262 CA VAL A 38 -16.152 -10.465 -2.719 1.00 28.48 C ATOM 263 C VAL A 38 -16.095 -11.845 -3.372 1.00 29.22 C ATOM 264 O VAL A 38 -16.273 -12.866 -2.708 1.00 31.27 O ATOM 265 CB VAL A 38 -15.096 -10.394 -1.592 1.00 29.43 C ATOM 266 CG1 VAL A 38 -13.692 -10.519 -2.165 1.00 28.05 C ATOM 267 CG2 VAL A 38 -15.240 -9.103 -0.796 1.00 31.46 C ATOM 0 H VAL A 38 -17.590 -10.300 -1.206 1.00 33.78 H new ATOM 0 HA VAL A 38 -15.926 -9.704 -3.466 1.00 28.48 H new ATOM 0 HB VAL A 38 -15.265 -11.231 -0.914 1.00 29.43 H new ATOM 0 HG11 VAL A 38 -12.963 -10.467 -1.356 1.00 28.05 H new ATOM 0 HG12 VAL A 38 -13.593 -11.474 -2.681 1.00 28.05 H new ATOM 0 HG13 VAL A 38 -13.512 -9.706 -2.868 1.00 28.05 H new ATOM 0 HG21 VAL A 38 -14.487 -9.075 -0.009 1.00 31.46 H new ATOM 0 HG22 VAL A 38 -15.103 -8.249 -1.460 1.00 31.46 H new ATOM 0 HG23 VAL A 38 -16.233 -9.060 -0.349 1.00 31.46 H new ATOM 277 N THR A 39 -15.854 -11.863 -4.671 1.00 27.35 N ATOM 278 CA THR A 39 -15.762 -13.103 -5.421 1.00 27.23 C ATOM 279 C THR A 39 -14.311 -13.376 -5.815 1.00 28.27 C ATOM 280 O THR A 39 -13.671 -12.542 -6.458 1.00 28.17 O ATOM 281 CB THR A 39 -16.622 -13.041 -6.696 1.00 32.67 C ATOM 282 OG1 THR A 39 -17.808 -12.274 -6.452 1.00 34.63 O ATOM 283 CG2 THR A 39 -17.002 -14.436 -7.167 1.00 37.07 C ATOM 0 H THR A 39 -15.717 -11.023 -5.233 1.00 27.35 H new ATOM 0 HA THR A 39 -16.129 -13.906 -4.782 1.00 27.23 H new ATOM 0 HB THR A 39 -16.033 -12.561 -7.478 1.00 32.67 H new ATOM 0 HG1 THR A 39 -18.551 -12.878 -6.245 1.00 34.63 H new ATOM 0 HG21 THR A 39 -17.609 -14.363 -8.069 1.00 37.07 H new ATOM 0 HG22 THR A 39 -16.098 -15.006 -7.383 1.00 37.07 H new ATOM 0 HG23 THR A 39 -17.571 -14.941 -6.387 1.00 37.07 H new ATOM 291 N PRO A 40 -13.769 -14.537 -5.424 1.00 26.41 N ATOM 292 CA PRO A 40 -12.389 -14.902 -5.744 1.00 25.74 C ATOM 293 C PRO A 40 -12.199 -15.240 -7.220 1.00 27.33 C ATOM 294 O PRO A 40 -13.050 -15.887 -7.834 1.00 29.54 O ATOM 295 CB PRO A 40 -12.138 -16.136 -4.876 1.00 27.62 C ATOM 296 CG PRO A 40 -13.487 -16.733 -4.666 1.00 30.25 C ATOM 297 CD PRO A 40 -14.451 -15.579 -4.633 1.00 27.97 C ATOM 0 HA PRO A 40 -11.698 -14.081 -5.553 1.00 25.74 H new ATOM 0 HB2 PRO A 40 -11.467 -16.838 -5.371 1.00 27.62 H new ATOM 0 HB3 PRO A 40 -11.673 -15.865 -3.928 1.00 27.62 H new ATOM 0 HG2 PRO A 40 -13.736 -17.426 -5.469 1.00 30.25 H new ATOM 0 HG3 PRO A 40 -13.523 -17.298 -3.735 1.00 30.25 H new ATOM 0 HD2 PRO A 40 -15.414 -15.848 -5.068 1.00 27.97 H new ATOM 0 HD3 PRO A 40 -14.644 -15.247 -3.613 1.00 27.97 H new ATOM 305 N ASP A 41 -11.086 -14.789 -7.789 1.00 27.01 N ATOM 306 CA ASP A 41 -10.778 -15.061 -9.187 1.00 28.40 C ATOM 307 C ASP A 41 -10.294 -16.501 -9.318 1.00 29.86 C ATOM 308 O ASP A 41 -9.844 -17.101 -8.339 1.00 28.83 O ATOM 309 CB ASP A 41 -9.706 -14.091 -9.706 1.00 28.84 C ATOM 310 CG ASP A 41 -9.807 -13.835 -11.201 1.00 32.16 C ATOM 311 OD1 ASP A 41 -9.696 -14.797 -11.987 1.00 34.80 O ATOM 312 OD2 ASP A 41 -9.983 -12.661 -11.602 1.00 35.13 O ATOM 0 H ASP A 41 -10.382 -14.233 -7.303 1.00 27.01 H new ATOM 0 HA ASP A 41 -11.677 -14.920 -9.786 1.00 28.40 H new ATOM 0 HB2 ASP A 41 -9.794 -13.143 -9.174 1.00 28.84 H new ATOM 0 HB3 ASP A 41 -8.719 -14.494 -9.478 1.00 28.84 H new ATOM 317 N LYS A 42 -10.384 -17.055 -10.516 1.00 30.36 N ATOM 318 CA LYS A 42 -9.965 -18.430 -10.747 1.00 30.52 C ATOM 319 C LYS A 42 -8.701 -18.482 -11.593 1.00 29.13 C ATOM 320 O LYS A 42 -8.161 -19.557 -11.853 1.00 33.35 O ATOM 321 CB LYS A 42 -11.083 -19.216 -11.433 1.00 34.43 C ATOM 322 CG LYS A 42 -12.420 -19.113 -10.717 1.00 40.16 C ATOM 323 CD LYS A 42 -13.420 -20.113 -11.261 1.00 53.68 C ATOM 324 CE LYS A 42 -14.823 -19.830 -10.753 1.00 57.99 C ATOM 325 NZ LYS A 42 -15.748 -20.954 -11.044 1.00 50.24 N ATOM 0 H LYS A 42 -10.742 -16.576 -11.342 1.00 30.36 H new ATOM 0 HA LYS A 42 -9.750 -18.883 -9.779 1.00 30.52 H new ATOM 0 HB2 LYS A 42 -11.198 -18.854 -12.455 1.00 34.43 H new ATOM 0 HB3 LYS A 42 -10.793 -20.265 -11.497 1.00 34.43 H new ATOM 0 HG2 LYS A 42 -12.277 -19.284 -9.650 1.00 40.16 H new ATOM 0 HG3 LYS A 42 -12.816 -18.104 -10.828 1.00 40.16 H new ATOM 0 HD2 LYS A 42 -13.413 -20.080 -12.350 1.00 53.68 H new ATOM 0 HD3 LYS A 42 -13.123 -21.121 -10.970 1.00 53.68 H new ATOM 0 HE2 LYS A 42 -14.792 -19.653 -9.678 1.00 57.99 H new ATOM 0 HE3 LYS A 42 -15.201 -18.918 -11.216 1.00 57.99 H new ATOM 0 HZ1 LYS A 42 -16.696 -20.726 -10.683 1.00 50.24 H new ATOM 0 HZ2 LYS A 42 -15.796 -21.107 -12.072 1.00 50.24 H new ATOM 0 HZ3 LYS A 42 -15.400 -21.818 -10.582 1.00 50.24 H new ATOM 339 N ARG A 43 -8.230 -17.320 -12.019 1.00 27.87 N ATOM 340 CA ARG A 43 -7.029 -17.246 -12.838 1.00 26.95 C ATOM 341 C ARG A 43 -5.773 -17.297 -11.983 1.00 27.24 C ATOM 342 O ARG A 43 -5.791 -16.956 -10.797 1.00 26.67 O ATOM 343 CB ARG A 43 -7.027 -15.970 -13.675 1.00 29.39 C ATOM 344 CG ARG A 43 -8.098 -15.948 -14.747 1.00 31.56 C ATOM 345 CD ARG A 43 -8.237 -14.566 -15.351 1.00 30.38 C ATOM 346 NE ARG A 43 -8.503 -13.555 -14.331 1.00 29.25 N ATOM 347 CZ ARG A 43 -8.103 -12.289 -14.417 1.00 29.05 C ATOM 348 NH1 ARG A 43 -7.448 -11.868 -15.489 1.00 37.71 N ATOM 349 NH2 ARG A 43 -8.366 -11.445 -13.431 1.00 30.67 N ATOM 0 H ARG A 43 -8.659 -16.418 -11.812 1.00 27.87 H new ATOM 0 HA ARG A 43 -7.032 -18.111 -13.501 1.00 26.95 H new ATOM 0 HB2 ARG A 43 -7.166 -15.113 -13.016 1.00 29.39 H new ATOM 0 HB3 ARG A 43 -6.051 -15.855 -14.146 1.00 29.39 H new ATOM 0 HG2 ARG A 43 -7.850 -16.666 -15.528 1.00 31.56 H new ATOM 0 HG3 ARG A 43 -9.051 -16.259 -14.319 1.00 31.56 H new ATOM 0 HD2 ARG A 43 -7.324 -14.310 -15.888 1.00 30.38 H new ATOM 0 HD3 ARG A 43 -9.046 -14.568 -16.081 1.00 30.38 H new ATOM 0 HE ARG A 43 -9.027 -13.837 -13.503 1.00 29.25 H new ATOM 0 HH11 ARG A 43 -7.249 -12.515 -16.252 1.00 37.71 H new ATOM 0 HH12 ARG A 43 -7.143 -10.897 -15.551 1.00 37.71 H new ATOM 0 HH21 ARG A 43 -8.875 -11.766 -12.607 1.00 30.67 H new ATOM 0 HH22 ARG A 43 -8.060 -10.474 -13.495 1.00 30.67 H new ATOM 363 N LYS A 44 -4.687 -17.735 -12.593 1.00 27.38 N ATOM 364 CA LYS A 44 -3.411 -17.830 -11.914 1.00 24.82 C ATOM 365 C LYS A 44 -2.592 -16.582 -12.193 1.00 25.07 C ATOM 366 O LYS A 44 -2.053 -16.404 -13.286 1.00 25.72 O ATOM 367 CB LYS A 44 -2.655 -19.076 -12.373 1.00 31.68 C ATOM 368 CG LYS A 44 -3.344 -20.375 -11.996 1.00 36.95 C ATOM 369 CD LYS A 44 -2.787 -21.544 -12.785 1.00 40.69 C ATOM 370 CE LYS A 44 -3.443 -22.849 -12.371 1.00 45.64 C ATOM 371 NZ LYS A 44 -3.165 -23.942 -13.339 1.00 49.09 N ATOM 0 H LYS A 44 -4.666 -18.033 -13.568 1.00 27.38 H new ATOM 0 HA LYS A 44 -3.584 -17.911 -10.841 1.00 24.82 H new ATOM 0 HB2 LYS A 44 -2.533 -19.039 -13.456 1.00 31.68 H new ATOM 0 HB3 LYS A 44 -1.655 -19.065 -11.939 1.00 31.68 H new ATOM 0 HG2 LYS A 44 -3.217 -20.560 -10.929 1.00 36.95 H new ATOM 0 HG3 LYS A 44 -4.415 -20.287 -12.179 1.00 36.95 H new ATOM 0 HD2 LYS A 44 -2.946 -21.376 -13.850 1.00 40.69 H new ATOM 0 HD3 LYS A 44 -1.710 -21.610 -12.630 1.00 40.69 H new ATOM 0 HE2 LYS A 44 -3.083 -23.139 -11.384 1.00 45.64 H new ATOM 0 HE3 LYS A 44 -4.520 -22.703 -12.288 1.00 45.64 H new ATOM 0 HZ1 LYS A 44 -3.631 -24.815 -13.020 1.00 49.09 H new ATOM 0 HZ2 LYS A 44 -3.531 -23.677 -14.276 1.00 49.09 H new ATOM 0 HZ3 LYS A 44 -2.139 -24.099 -13.400 1.00 49.09 H new ATOM 385 N GLY A 45 -2.523 -15.706 -11.211 1.00 25.23 N ATOM 386 CA GLY A 45 -1.774 -14.486 -11.375 1.00 22.86 C ATOM 387 C GLY A 45 -0.533 -14.459 -10.518 1.00 20.43 C ATOM 388 O GLY A 45 -0.406 -15.232 -9.565 1.00 22.06 O ATOM 0 H GLY A 45 -2.973 -15.818 -10.302 1.00 25.23 H new ATOM 0 HA2 GLY A 45 -1.493 -14.372 -12.422 1.00 22.86 H new ATOM 0 HA3 GLY A 45 -2.407 -13.636 -11.121 1.00 22.86 H new ATOM 392 N LEU A 46 0.387 -13.585 -10.863 1.00 20.38 N ATOM 393 CA LEU A 46 1.621 -13.451 -10.121 1.00 20.77 C ATOM 394 C LEU A 46 1.602 -12.157 -9.332 1.00 23.10 C ATOM 395 O LEU A 46 1.576 -11.067 -9.908 1.00 23.65 O ATOM 396 CB LEU A 46 2.826 -13.475 -11.064 1.00 23.04 C ATOM 397 CG LEU A 46 4.188 -13.584 -10.374 1.00 26.36 C ATOM 398 CD1 LEU A 46 4.471 -15.024 -9.977 1.00 27.21 C ATOM 399 CD2 LEU A 46 5.286 -13.054 -11.280 1.00 26.03 C ATOM 0 H LEU A 46 0.302 -12.952 -11.659 1.00 20.38 H new ATOM 0 HA LEU A 46 1.710 -14.292 -9.434 1.00 20.77 H new ATOM 0 HB2 LEU A 46 2.715 -14.315 -11.749 1.00 23.04 H new ATOM 0 HB3 LEU A 46 2.813 -12.568 -11.668 1.00 23.04 H new ATOM 0 HG LEU A 46 4.166 -12.977 -9.469 1.00 26.36 H new ATOM 0 HD11 LEU A 46 5.443 -15.082 -9.488 1.00 27.21 H new ATOM 0 HD12 LEU A 46 3.698 -15.371 -9.291 1.00 27.21 H new ATOM 0 HD13 LEU A 46 4.474 -15.653 -10.867 1.00 27.21 H new ATOM 0 HD21 LEU A 46 6.248 -13.139 -10.774 1.00 26.03 H new ATOM 0 HD22 LEU A 46 5.309 -13.635 -12.202 1.00 26.03 H new ATOM 0 HD23 LEU A 46 5.091 -12.008 -11.515 1.00 26.03 H new ATOM 411 N VAL A 47 1.586 -12.281 -8.018 1.00 21.70 N ATOM 412 CA VAL A 47 1.579 -11.121 -7.151 1.00 22.89 C ATOM 413 C VAL A 47 3.012 -10.727 -6.858 1.00 23.42 C ATOM 414 O VAL A 47 3.744 -11.477 -6.211 1.00 22.22 O ATOM 415 CB VAL A 47 0.840 -11.391 -5.825 1.00 20.99 C ATOM 416 CG1 VAL A 47 0.478 -10.085 -5.140 1.00 24.03 C ATOM 417 CG2 VAL A 47 -0.400 -12.237 -6.064 1.00 19.99 C ATOM 0 H VAL A 47 1.578 -13.176 -7.528 1.00 21.70 H new ATOM 0 HA VAL A 47 1.049 -10.317 -7.662 1.00 22.89 H new ATOM 0 HB VAL A 47 1.508 -11.947 -5.167 1.00 20.99 H new ATOM 0 HG11 VAL A 47 -0.043 -10.296 -4.206 1.00 24.03 H new ATOM 0 HG12 VAL A 47 1.386 -9.521 -4.929 1.00 24.03 H new ATOM 0 HG13 VAL A 47 -0.170 -9.499 -5.792 1.00 24.03 H new ATOM 0 HG21 VAL A 47 -0.907 -12.416 -5.116 1.00 19.99 H new ATOM 0 HG22 VAL A 47 -1.073 -11.712 -6.742 1.00 19.99 H new ATOM 0 HG23 VAL A 47 -0.110 -13.190 -6.506 1.00 19.99 H new ATOM 427 N TYR A 48 3.426 -9.574 -7.350 1.00 22.85 N ATOM 428 CA TYR A 48 4.792 -9.135 -7.145 1.00 23.49 C ATOM 429 C TYR A 48 4.860 -7.708 -6.628 1.00 21.86 C ATOM 430 O TYR A 48 3.908 -6.936 -6.749 1.00 23.94 O ATOM 431 CB TYR A 48 5.592 -9.268 -8.450 1.00 25.01 C ATOM 432 CG TYR A 48 5.226 -8.256 -9.518 1.00 28.77 C ATOM 433 CD1 TYR A 48 5.847 -7.012 -9.566 1.00 31.32 C ATOM 434 CD2 TYR A 48 4.270 -8.547 -10.483 1.00 30.08 C ATOM 435 CE1 TYR A 48 5.526 -6.090 -10.541 1.00 31.62 C ATOM 436 CE2 TYR A 48 3.944 -7.627 -11.461 1.00 31.24 C ATOM 437 CZ TYR A 48 4.576 -6.402 -11.485 1.00 33.90 C ATOM 438 OH TYR A 48 4.258 -5.485 -12.461 1.00 40.45 O ATOM 0 H TYR A 48 2.844 -8.932 -7.888 1.00 22.85 H new ATOM 0 HA TYR A 48 5.233 -9.778 -6.384 1.00 23.49 H new ATOM 0 HB2 TYR A 48 6.653 -9.169 -8.222 1.00 25.01 H new ATOM 0 HB3 TYR A 48 5.444 -10.271 -8.851 1.00 25.01 H new ATOM 0 HD1 TYR A 48 6.594 -6.763 -8.827 1.00 31.32 H new ATOM 0 HD2 TYR A 48 3.774 -9.506 -10.469 1.00 30.08 H new ATOM 0 HE1 TYR A 48 6.018 -5.129 -10.563 1.00 31.62 H new ATOM 0 HE2 TYR A 48 3.197 -7.867 -12.204 1.00 31.24 H new ATOM 0 HH TYR A 48 3.981 -5.956 -13.275 1.00 40.45 H new ATOM 448 N ILE A 49 6.001 -7.379 -6.049 1.00 22.39 N ATOM 449 CA ILE A 49 6.249 -6.057 -5.511 1.00 23.58 C ATOM 450 C ILE A 49 7.512 -5.481 -6.140 1.00 27.61 C ATOM 451 O ILE A 49 8.572 -6.118 -6.123 1.00 27.30 O ATOM 452 CB ILE A 49 6.408 -6.092 -3.978 1.00 25.90 C ATOM 453 CG1 ILE A 49 5.155 -6.682 -3.327 1.00 27.10 C ATOM 454 CG2 ILE A 49 6.686 -4.699 -3.440 1.00 27.09 C ATOM 455 CD1 ILE A 49 5.247 -6.798 -1.823 1.00 25.36 C ATOM 0 H ILE A 49 6.783 -8.025 -5.939 1.00 22.39 H new ATOM 0 HA ILE A 49 5.391 -5.428 -5.748 1.00 23.58 H new ATOM 0 HB ILE A 49 7.257 -6.729 -3.731 1.00 25.90 H new ATOM 0 HG12 ILE A 49 4.297 -6.060 -3.582 1.00 27.10 H new ATOM 0 HG13 ILE A 49 4.969 -7.670 -3.748 1.00 27.10 H new ATOM 0 HG21 ILE A 49 6.795 -4.743 -2.356 1.00 27.09 H new ATOM 0 HG22 ILE A 49 7.605 -4.315 -3.882 1.00 27.09 H new ATOM 0 HG23 ILE A 49 5.857 -4.038 -3.695 1.00 27.09 H new ATOM 0 HD11 ILE A 49 4.322 -7.224 -1.434 1.00 25.36 H new ATOM 0 HD12 ILE A 49 6.084 -7.444 -1.558 1.00 25.36 H new ATOM 0 HD13 ILE A 49 5.401 -5.809 -1.391 1.00 25.36 H new ATOM 467 N GLN A 50 7.395 -4.291 -6.701 1.00 27.71 N ATOM 468 CA GLN A 50 8.520 -3.636 -7.347 1.00 32.14 C ATOM 469 C GLN A 50 8.676 -2.210 -6.825 1.00 32.00 C ATOM 470 O GLN A 50 7.686 -1.527 -6.576 1.00 30.85 O ATOM 471 CB GLN A 50 8.298 -3.616 -8.859 1.00 36.37 C ATOM 472 CG GLN A 50 9.557 -3.358 -9.666 1.00 39.34 C ATOM 473 CD GLN A 50 9.266 -3.162 -11.137 1.00 45.99 C ATOM 474 OE1 GLN A 50 8.228 -2.619 -11.507 1.00 55.21 O ATOM 475 NE2 GLN A 50 10.169 -3.617 -11.987 1.00 53.40 N ATOM 0 H GLN A 50 6.527 -3.755 -6.723 1.00 27.71 H new ATOM 0 HA GLN A 50 9.431 -4.190 -7.121 1.00 32.14 H new ATOM 0 HB2 GLN A 50 7.872 -4.571 -9.166 1.00 36.37 H new ATOM 0 HB3 GLN A 50 7.562 -2.848 -9.097 1.00 36.37 H new ATOM 0 HG2 GLN A 50 10.061 -2.473 -9.277 1.00 39.34 H new ATOM 0 HG3 GLN A 50 10.243 -4.196 -9.542 1.00 39.34 H new ATOM 0 HE21 GLN A 50 11.018 -4.062 -11.639 1.00 53.40 H new ATOM 0 HE22 GLN A 50 10.017 -3.523 -12.991 1.00 53.40 H new ATOM 484 N GLN A 51 9.913 -1.768 -6.650 1.00 32.95 N ATOM 485 CA GLN A 51 10.174 -0.421 -6.163 1.00 32.74 C ATOM 486 C GLN A 51 10.818 0.416 -7.263 1.00 36.30 C ATOM 487 O GLN A 51 11.892 0.081 -7.767 1.00 38.61 O ATOM 488 CB GLN A 51 11.074 -0.456 -4.927 1.00 33.49 C ATOM 489 CG GLN A 51 11.207 0.889 -4.232 1.00 36.02 C ATOM 490 CD GLN A 51 12.140 0.839 -3.041 1.00 40.59 C ATOM 491 OE1 GLN A 51 13.099 0.065 -3.020 1.00 47.50 O ATOM 492 NE2 GLN A 51 11.872 1.662 -2.041 1.00 36.66 N ATOM 0 H GLN A 51 10.750 -2.321 -6.837 1.00 32.95 H new ATOM 0 HA GLN A 51 9.225 0.035 -5.880 1.00 32.74 H new ATOM 0 HB2 GLN A 51 10.677 -1.183 -4.219 1.00 33.49 H new ATOM 0 HB3 GLN A 51 12.065 -0.804 -5.219 1.00 33.49 H new ATOM 0 HG2 GLN A 51 11.573 1.628 -4.945 1.00 36.02 H new ATOM 0 HG3 GLN A 51 10.223 1.223 -3.904 1.00 36.02 H new ATOM 0 HE21 GLN A 51 11.068 2.288 -2.097 1.00 36.66 H new ATOM 0 HE22 GLN A 51 12.469 1.671 -1.214 1.00 36.66 H new ATOM 501 N THR A 52 10.156 1.498 -7.635 1.00 32.79 N ATOM 502 CA THR A 52 10.646 2.376 -8.681 1.00 35.62 C ATOM 503 C THR A 52 11.684 3.364 -8.144 1.00 34.85 C ATOM 504 O THR A 52 11.969 3.389 -6.945 1.00 33.85 O ATOM 505 CB THR A 52 9.471 3.141 -9.312 1.00 36.57 C ATOM 506 OG1 THR A 52 8.319 3.031 -8.462 1.00 36.03 O ATOM 507 CG2 THR A 52 9.142 2.593 -10.694 1.00 36.33 C ATOM 0 H THR A 52 9.270 1.790 -7.223 1.00 32.79 H new ATOM 0 HA THR A 52 11.131 1.760 -9.438 1.00 35.62 H new ATOM 0 HB THR A 52 9.756 4.188 -9.418 1.00 36.57 H new ATOM 0 HG1 THR A 52 8.096 3.913 -8.097 1.00 36.03 H new ATOM 0 HG21 THR A 52 8.307 3.152 -11.118 1.00 36.33 H new ATOM 0 HG22 THR A 52 10.013 2.694 -11.342 1.00 36.33 H new ATOM 0 HG23 THR A 52 8.870 1.541 -10.613 1.00 36.33 H new ATOM 515 N ASP A 53 12.238 4.180 -9.040 1.00 40.95 N ATOM 516 CA ASP A 53 13.253 5.175 -8.677 1.00 43.16 C ATOM 517 C ASP A 53 12.687 6.233 -7.734 1.00 43.44 C ATOM 518 O ASP A 53 13.433 6.936 -7.049 1.00 42.75 O ATOM 519 CB ASP A 53 13.807 5.859 -9.932 1.00 50.66 C ATOM 520 CG ASP A 53 12.826 6.846 -10.541 1.00 58.97 C ATOM 521 OD1 ASP A 53 11.826 6.402 -11.137 1.00 70.66 O ATOM 522 OD2 ASP A 53 13.048 8.069 -10.426 1.00 70.60 O ATOM 0 H ASP A 53 12.000 4.173 -10.032 1.00 40.95 H new ATOM 0 HA ASP A 53 14.056 4.647 -8.164 1.00 43.16 H new ATOM 0 HB2 ASP A 53 14.731 6.380 -9.680 1.00 50.66 H new ATOM 0 HB3 ASP A 53 14.061 5.101 -10.673 1.00 50.66 H new ATOM 527 N ASP A 54 11.368 6.332 -7.704 1.00 39.48 N ATOM 528 CA ASP A 54 10.677 7.295 -6.851 1.00 39.12 C ATOM 529 C ASP A 54 10.582 6.779 -5.422 1.00 37.04 C ATOM 530 O ASP A 54 10.008 7.442 -4.554 1.00 37.46 O ATOM 531 CB ASP A 54 9.276 7.580 -7.395 1.00 40.13 C ATOM 532 CG ASP A 54 8.621 6.343 -7.975 1.00 38.54 C ATOM 533 OD1 ASP A 54 8.517 5.327 -7.257 1.00 36.07 O ATOM 534 OD2 ASP A 54 8.240 6.373 -9.164 1.00 42.19 O ATOM 0 H ASP A 54 10.745 5.752 -8.266 1.00 39.48 H new ATOM 0 HA ASP A 54 11.253 8.221 -6.850 1.00 39.12 H new ATOM 0 HB2 ASP A 54 8.652 7.977 -6.595 1.00 40.13 H new ATOM 0 HB3 ASP A 54 9.337 8.350 -8.164 1.00 40.13 H new ATOM 539 N SER A 55 11.146 5.589 -5.199 1.00 33.99 N ATOM 540 CA SER A 55 11.162 4.937 -3.891 1.00 31.71 C ATOM 541 C SER A 55 9.770 4.461 -3.481 1.00 28.99 C ATOM 542 O SER A 55 9.570 4.009 -2.352 1.00 29.99 O ATOM 543 CB SER A 55 11.738 5.878 -2.826 1.00 40.69 C ATOM 544 OG SER A 55 12.967 6.441 -3.260 1.00 39.56 O ATOM 0 H SER A 55 11.608 5.048 -5.930 1.00 33.99 H new ATOM 0 HA SER A 55 11.803 4.059 -3.971 1.00 31.71 H new ATOM 0 HB2 SER A 55 11.024 6.673 -2.613 1.00 40.69 H new ATOM 0 HB3 SER A 55 11.892 5.331 -1.896 1.00 40.69 H new ATOM 0 HG SER A 55 13.316 7.039 -2.566 1.00 39.56 H new ATOM 550 N LEU A 56 8.818 4.535 -4.401 1.00 31.45 N ATOM 551 CA LEU A 56 7.460 4.113 -4.117 1.00 28.30 C ATOM 552 C LEU A 56 7.292 2.627 -4.382 1.00 28.13 C ATOM 553 O LEU A 56 7.846 2.082 -5.343 1.00 30.03 O ATOM 554 CB LEU A 56 6.462 4.924 -4.942 1.00 29.92 C ATOM 555 CG LEU A 56 6.481 6.429 -4.667 1.00 28.23 C ATOM 556 CD1 LEU A 56 5.512 7.157 -5.586 1.00 31.16 C ATOM 557 CD2 LEU A 56 6.145 6.707 -3.210 1.00 29.13 C ATOM 0 H LEU A 56 8.964 4.883 -5.348 1.00 31.45 H new ATOM 0 HA LEU A 56 7.260 4.295 -3.061 1.00 28.30 H new ATOM 0 HB2 LEU A 56 6.666 4.759 -6.000 1.00 29.92 H new ATOM 0 HB3 LEU A 56 5.458 4.545 -4.748 1.00 29.92 H new ATOM 0 HG LEU A 56 7.486 6.801 -4.868 1.00 28.23 H new ATOM 0 HD11 LEU A 56 5.542 8.226 -5.373 1.00 31.16 H new ATOM 0 HD12 LEU A 56 5.797 6.986 -6.624 1.00 31.16 H new ATOM 0 HD13 LEU A 56 4.502 6.782 -5.420 1.00 31.16 H new ATOM 0 HD21 LEU A 56 6.163 7.782 -3.031 1.00 29.13 H new ATOM 0 HD22 LEU A 56 5.152 6.318 -2.985 1.00 29.13 H new ATOM 0 HD23 LEU A 56 6.879 6.220 -2.568 1.00 29.13 H new ATOM 569 N ILE A 57 6.533 1.979 -3.521 1.00 26.76 N ATOM 570 CA ILE A 57 6.287 0.558 -3.628 1.00 25.89 C ATOM 571 C ILE A 57 5.135 0.290 -4.584 1.00 27.00 C ATOM 572 O ILE A 57 3.997 0.674 -4.330 1.00 27.45 O ATOM 573 CB ILE A 57 5.969 -0.044 -2.244 1.00 27.42 C ATOM 574 CG1 ILE A 57 7.071 0.314 -1.239 1.00 31.55 C ATOM 575 CG2 ILE A 57 5.791 -1.551 -2.336 1.00 28.59 C ATOM 576 CD1 ILE A 57 8.456 -0.133 -1.660 1.00 37.28 C ATOM 0 H ILE A 57 6.070 2.424 -2.728 1.00 26.76 H new ATOM 0 HA ILE A 57 7.189 0.085 -4.017 1.00 25.89 H new ATOM 0 HB ILE A 57 5.030 0.383 -1.892 1.00 27.42 H new ATOM 0 HG12 ILE A 57 7.078 1.394 -1.092 1.00 31.55 H new ATOM 0 HG13 ILE A 57 6.831 -0.137 -0.276 1.00 31.55 H new ATOM 0 HG21 ILE A 57 5.568 -1.952 -1.347 1.00 28.59 H new ATOM 0 HG22 ILE A 57 4.969 -1.780 -3.015 1.00 28.59 H new ATOM 0 HG23 ILE A 57 6.709 -2.003 -2.712 1.00 28.59 H new ATOM 0 HD11 ILE A 57 9.179 0.157 -0.898 1.00 37.28 H new ATOM 0 HD12 ILE A 57 8.468 -1.216 -1.779 1.00 37.28 H new ATOM 0 HD13 ILE A 57 8.718 0.339 -2.607 1.00 37.28 H new ATOM 588 N HIS A 58 5.431 -0.359 -5.693 1.00 26.83 N ATOM 589 CA HIS A 58 4.414 -0.662 -6.680 1.00 24.25 C ATOM 590 C HIS A 58 3.895 -2.082 -6.511 1.00 29.20 C ATOM 591 O HIS A 58 4.604 -3.058 -6.769 1.00 26.43 O ATOM 592 CB HIS A 58 4.957 -0.449 -8.096 1.00 27.78 C ATOM 593 CG HIS A 58 4.688 0.924 -8.633 1.00 33.31 C ATOM 594 ND1 HIS A 58 5.667 1.886 -8.782 1.00 38.84 N ATOM 595 CD2 HIS A 58 3.538 1.496 -9.059 1.00 29.13 C ATOM 596 CE1 HIS A 58 5.129 2.986 -9.275 1.00 32.16 C ATOM 597 NE2 HIS A 58 3.839 2.775 -9.451 1.00 37.59 N ATOM 0 H HIS A 58 6.367 -0.686 -5.933 1.00 26.83 H new ATOM 0 HA HIS A 58 3.579 0.021 -6.525 1.00 24.25 H new ATOM 0 HB2 HIS A 58 6.032 -0.628 -8.096 1.00 27.78 H new ATOM 0 HB3 HIS A 58 4.511 -1.187 -8.763 1.00 27.78 H new ATOM 0 HD1 HIS A 58 6.652 1.766 -8.548 1.00 38.84 H new ATOM 0 HD2 HIS A 58 2.564 1.031 -9.085 1.00 29.13 H new ATOM 0 HE1 HIS A 58 5.655 3.903 -9.497 1.00 32.16 H new ATOM 606 N PHE A 59 2.661 -2.180 -6.043 1.00 24.93 N ATOM 607 CA PHE A 59 2.002 -3.459 -5.843 1.00 24.00 C ATOM 608 C PHE A 59 1.168 -3.756 -7.079 1.00 24.90 C ATOM 609 O PHE A 59 0.131 -3.130 -7.299 1.00 22.76 O ATOM 610 CB PHE A 59 1.117 -3.405 -4.592 1.00 22.07 C ATOM 611 CG PHE A 59 0.592 -4.742 -4.144 1.00 22.53 C ATOM 612 CD1 PHE A 59 -0.605 -5.235 -4.640 1.00 23.49 C ATOM 613 CD2 PHE A 59 1.293 -5.499 -3.219 1.00 23.94 C ATOM 614 CE1 PHE A 59 -1.092 -6.458 -4.222 1.00 25.32 C ATOM 615 CE2 PHE A 59 0.809 -6.722 -2.797 1.00 24.34 C ATOM 616 CZ PHE A 59 -0.385 -7.202 -3.299 1.00 23.59 C ATOM 0 H PHE A 59 2.088 -1.374 -5.791 1.00 24.93 H new ATOM 0 HA PHE A 59 2.739 -4.249 -5.695 1.00 24.00 H new ATOM 0 HB2 PHE A 59 1.688 -2.961 -3.777 1.00 22.07 H new ATOM 0 HB3 PHE A 59 0.273 -2.744 -4.787 1.00 22.07 H new ATOM 0 HD1 PHE A 59 -1.163 -4.656 -5.361 1.00 23.49 H new ATOM 0 HD2 PHE A 59 2.228 -5.129 -2.824 1.00 23.94 H new ATOM 0 HE1 PHE A 59 -2.025 -6.832 -4.617 1.00 25.32 H new ATOM 0 HE2 PHE A 59 1.364 -7.303 -2.075 1.00 24.34 H new ATOM 0 HZ PHE A 59 -0.765 -8.158 -2.970 1.00 23.59 H new ATOM 626 N CYS A 60 1.623 -4.693 -7.894 1.00 24.92 N ATOM 627 CA CYS A 60 0.921 -5.011 -9.122 1.00 24.28 C ATOM 628 C CYS A 60 0.588 -6.495 -9.236 1.00 22.52 C ATOM 629 O CYS A 60 1.377 -7.359 -8.847 1.00 22.77 O ATOM 630 CB CYS A 60 1.767 -4.574 -10.321 1.00 25.29 C ATOM 631 SG CYS A 60 2.671 -3.024 -10.078 1.00 29.25 S ATOM 0 H CYS A 60 2.467 -5.241 -7.729 1.00 24.92 H new ATOM 0 HA CYS A 60 -0.025 -4.470 -9.109 1.00 24.28 H new ATOM 0 HB2 CYS A 60 2.481 -5.364 -10.553 1.00 25.29 H new ATOM 0 HB3 CYS A 60 1.116 -4.468 -11.189 1.00 25.29 H new ATOM 0 HG CYS A 60 2.064 -2.064 -10.710 1.00 29.25 H new ATOM 637 N TRP A 61 -0.591 -6.772 -9.777 1.00 21.73 N ATOM 638 CA TRP A 61 -1.055 -8.135 -9.987 1.00 24.21 C ATOM 639 C TRP A 61 -1.029 -8.437 -11.479 1.00 23.19 C ATOM 640 O TRP A 61 -1.807 -7.866 -12.251 1.00 23.71 O ATOM 641 CB TRP A 61 -2.475 -8.310 -9.439 1.00 23.71 C ATOM 642 CG TRP A 61 -2.892 -9.744 -9.285 1.00 21.67 C ATOM 643 CD1 TRP A 61 -2.648 -10.551 -8.213 1.00 22.32 C ATOM 644 CD2 TRP A 61 -3.634 -10.538 -10.223 1.00 21.21 C ATOM 645 NE1 TRP A 61 -3.184 -11.799 -8.428 1.00 20.93 N ATOM 646 CE2 TRP A 61 -3.798 -11.816 -9.651 1.00 21.69 C ATOM 647 CE3 TRP A 61 -4.177 -10.294 -11.489 1.00 23.41 C ATOM 648 CZ2 TRP A 61 -4.477 -12.841 -10.304 1.00 24.22 C ATOM 649 CZ3 TRP A 61 -4.852 -11.313 -12.133 1.00 22.81 C ATOM 650 CH2 TRP A 61 -4.999 -12.572 -11.540 1.00 22.79 C ATOM 0 H TRP A 61 -1.252 -6.058 -10.082 1.00 21.73 H new ATOM 0 HA TRP A 61 -0.400 -8.827 -9.457 1.00 24.21 H new ATOM 0 HB2 TRP A 61 -2.544 -7.815 -8.470 1.00 23.71 H new ATOM 0 HB3 TRP A 61 -3.176 -7.807 -10.105 1.00 23.71 H new ATOM 0 HD1 TRP A 61 -2.112 -10.253 -7.324 1.00 22.32 H new ATOM 0 HE1 TRP A 61 -3.132 -12.585 -7.780 1.00 20.93 H new ATOM 0 HE3 TRP A 61 -4.070 -9.326 -11.955 1.00 23.41 H new ATOM 0 HZ2 TRP A 61 -4.588 -13.815 -9.851 1.00 24.22 H new ATOM 0 HZ3 TRP A 61 -5.274 -11.135 -13.111 1.00 22.81 H new ATOM 0 HH2 TRP A 61 -5.535 -13.347 -12.068 1.00 22.79 H new ATOM 661 N LYS A 62 -0.128 -9.314 -11.886 1.00 23.00 N ATOM 662 CA LYS A 62 0.005 -9.665 -13.292 1.00 25.78 C ATOM 663 C LYS A 62 -0.611 -11.024 -13.583 1.00 27.19 C ATOM 664 O LYS A 62 -0.270 -12.017 -12.946 1.00 24.10 O ATOM 665 CB LYS A 62 1.482 -9.666 -13.695 1.00 30.99 C ATOM 666 CG LYS A 62 1.723 -10.037 -15.149 1.00 37.82 C ATOM 667 CD LYS A 62 3.206 -10.119 -15.463 1.00 35.10 C ATOM 668 CE LYS A 62 3.449 -10.695 -16.848 1.00 48.03 C ATOM 669 NZ LYS A 62 4.892 -10.929 -17.102 1.00 48.74 N ATOM 0 H LYS A 62 0.522 -9.796 -11.265 1.00 23.00 H new ATOM 0 HA LYS A 62 -0.531 -8.917 -13.877 1.00 25.78 H new ATOM 0 HB2 LYS A 62 1.900 -8.677 -13.508 1.00 30.99 H new ATOM 0 HB3 LYS A 62 2.022 -10.366 -13.057 1.00 30.99 H new ATOM 0 HG2 LYS A 62 1.251 -10.996 -15.364 1.00 37.82 H new ATOM 0 HG3 LYS A 62 1.253 -9.297 -15.797 1.00 37.82 H new ATOM 0 HD2 LYS A 62 3.649 -9.125 -15.398 1.00 35.10 H new ATOM 0 HD3 LYS A 62 3.704 -10.739 -14.717 1.00 35.10 H new ATOM 0 HE2 LYS A 62 2.905 -11.634 -16.952 1.00 48.03 H new ATOM 0 HE3 LYS A 62 3.054 -10.012 -17.600 1.00 48.03 H new ATOM 0 HZ1 LYS A 62 5.017 -11.322 -18.057 1.00 48.74 H new ATOM 0 HZ2 LYS A 62 5.408 -10.029 -17.028 1.00 48.74 H new ATOM 0 HZ3 LYS A 62 5.264 -11.600 -16.400 1.00 48.74 H new ATOM 683 N ASP A 63 -1.526 -11.056 -14.541 1.00 25.78 N ATOM 684 CA ASP A 63 -2.171 -12.300 -14.934 1.00 25.28 C ATOM 685 C ASP A 63 -1.212 -13.116 -15.791 1.00 27.61 C ATOM 686 O ASP A 63 -0.670 -12.611 -16.771 1.00 28.08 O ATOM 687 CB ASP A 63 -3.466 -12.019 -15.703 1.00 27.58 C ATOM 688 CG ASP A 63 -3.997 -13.245 -16.418 1.00 32.53 C ATOM 689 OD1 ASP A 63 -4.066 -14.321 -15.796 1.00 44.29 O ATOM 690 OD2 ASP A 63 -4.332 -13.142 -17.617 1.00 43.65 O ATOM 0 H ASP A 63 -1.838 -10.235 -15.060 1.00 25.78 H new ATOM 0 HA ASP A 63 -2.427 -12.866 -14.039 1.00 25.28 H new ATOM 0 HB2 ASP A 63 -4.223 -11.651 -15.010 1.00 27.58 H new ATOM 0 HB3 ASP A 63 -3.288 -11.227 -16.431 1.00 27.58 H new ATOM 695 N ARG A 64 -1.005 -14.372 -15.424 1.00 25.21 N ATOM 696 CA ARG A 64 -0.085 -15.238 -16.156 1.00 26.58 C ATOM 697 C ARG A 64 -0.707 -15.758 -17.450 1.00 32.09 C ATOM 698 O ARG A 64 0.004 -16.217 -18.350 1.00 35.96 O ATOM 699 CB ARG A 64 0.360 -16.406 -15.275 1.00 26.02 C ATOM 700 CG ARG A 64 1.218 -15.979 -14.094 1.00 23.07 C ATOM 701 CD ARG A 64 1.364 -17.096 -13.075 1.00 26.59 C ATOM 702 NE ARG A 64 2.099 -18.241 -13.611 1.00 24.42 N ATOM 703 CZ ARG A 64 2.025 -19.475 -13.115 1.00 28.00 C ATOM 704 NH1 ARG A 64 1.273 -19.725 -12.048 1.00 26.89 N ATOM 705 NH2 ARG A 64 2.706 -20.460 -13.687 1.00 28.46 N ATOM 0 H ARG A 64 -1.459 -14.816 -14.626 1.00 25.21 H new ATOM 0 HA ARG A 64 0.787 -14.641 -16.425 1.00 26.58 H new ATOM 0 HB2 ARG A 64 -0.522 -16.928 -14.904 1.00 26.02 H new ATOM 0 HB3 ARG A 64 0.919 -17.117 -15.883 1.00 26.02 H new ATOM 0 HG2 ARG A 64 2.204 -15.679 -14.450 1.00 23.07 H new ATOM 0 HG3 ARG A 64 0.772 -15.106 -13.617 1.00 23.07 H new ATOM 0 HD2 ARG A 64 1.880 -16.716 -12.193 1.00 26.59 H new ATOM 0 HD3 ARG A 64 0.375 -17.421 -12.750 1.00 26.59 H new ATOM 0 HE ARG A 64 2.707 -18.085 -14.415 1.00 24.42 H new ATOM 0 HH11 ARG A 64 0.749 -18.970 -11.605 1.00 26.89 H new ATOM 0 HH12 ARG A 64 1.220 -20.672 -11.672 1.00 26.89 H new ATOM 0 HH21 ARG A 64 3.285 -20.272 -14.505 1.00 28.46 H new ATOM 0 HH22 ARG A 64 2.650 -21.405 -13.308 1.00 28.46 H new ATOM 719 N THR A 65 -2.027 -15.676 -17.546 1.00 33.44 N ATOM 720 CA THR A 65 -2.734 -16.136 -18.732 1.00 36.88 C ATOM 721 C THR A 65 -2.463 -15.216 -19.920 1.00 39.61 C ATOM 722 O THR A 65 -1.993 -15.662 -20.972 1.00 43.46 O ATOM 723 CB THR A 65 -4.252 -16.213 -18.486 1.00 37.93 C ATOM 724 OG1 THR A 65 -4.513 -16.492 -17.104 1.00 37.86 O ATOM 725 CG2 THR A 65 -4.885 -17.293 -19.347 1.00 41.05 C ATOM 0 H THR A 65 -2.629 -15.295 -16.816 1.00 33.44 H new ATOM 0 HA THR A 65 -2.363 -17.136 -18.958 1.00 36.88 H new ATOM 0 HB THR A 65 -4.688 -15.250 -18.753 1.00 37.93 H new ATOM 0 HG1 THR A 65 -4.697 -15.654 -16.630 1.00 37.86 H new ATOM 0 HG21 THR A 65 -5.958 -17.329 -19.156 1.00 41.05 H new ATOM 0 HG22 THR A 65 -4.711 -17.068 -20.399 1.00 41.05 H new ATOM 0 HG23 THR A 65 -4.441 -18.258 -19.104 1.00 41.05 H new ATOM 733 N SER A 66 -2.751 -13.934 -19.746 1.00 37.37 N ATOM 734 CA SER A 66 -2.546 -12.956 -20.803 1.00 38.86 C ATOM 735 C SER A 66 -1.143 -12.355 -20.743 1.00 40.19 C ATOM 736 O SER A 66 -0.521 -12.092 -21.775 1.00 43.03 O ATOM 737 CB SER A 66 -3.594 -11.845 -20.692 1.00 38.83 C ATOM 738 OG SER A 66 -3.683 -11.355 -19.359 1.00 38.28 O ATOM 0 H SER A 66 -3.128 -13.547 -18.881 1.00 37.37 H new ATOM 0 HA SER A 66 -2.652 -13.466 -21.760 1.00 38.86 H new ATOM 0 HB2 SER A 66 -3.335 -11.028 -21.366 1.00 38.83 H new ATOM 0 HB3 SER A 66 -4.565 -12.224 -21.009 1.00 38.83 H new ATOM 0 HG SER A 66 -4.238 -11.960 -18.824 1.00 38.28 H new ATOM 744 N GLY A 67 -0.644 -12.154 -19.532 1.00 37.65 N ATOM 745 CA GLY A 67 0.667 -11.567 -19.356 1.00 35.24 C ATOM 746 C GLY A 67 0.577 -10.068 -19.165 1.00 32.90 C ATOM 747 O GLY A 67 1.559 -9.348 -19.332 1.00 38.76 O ATOM 0 H GLY A 67 -1.127 -12.389 -18.665 1.00 37.65 H new ATOM 0 HA2 GLY A 67 1.156 -12.017 -18.492 1.00 35.24 H new ATOM 0 HA3 GLY A 67 1.287 -11.789 -20.225 1.00 35.24 H new ATOM 751 N THR A 68 -0.616 -9.605 -18.823 1.00 35.01 N ATOM 752 CA THR A 68 -0.865 -8.188 -18.612 1.00 34.10 C ATOM 753 C THR A 68 -1.097 -7.881 -17.132 1.00 32.67 C ATOM 754 O THR A 68 -1.686 -8.685 -16.404 1.00 29.63 O ATOM 755 CB THR A 68 -2.094 -7.734 -19.425 1.00 41.04 C ATOM 756 OG1 THR A 68 -1.979 -8.192 -20.780 1.00 46.72 O ATOM 757 CG2 THR A 68 -2.236 -6.220 -19.412 1.00 41.80 C ATOM 0 H THR A 68 -1.434 -10.198 -18.685 1.00 35.01 H new ATOM 0 HA THR A 68 0.018 -7.644 -18.947 1.00 34.10 H new ATOM 0 HB THR A 68 -2.981 -8.166 -18.963 1.00 41.04 H new ATOM 0 HG1 THR A 68 -2.763 -7.902 -21.291 1.00 46.72 H new ATOM 0 HG21 THR A 68 -3.112 -5.932 -19.994 1.00 41.80 H new ATOM 0 HG22 THR A 68 -2.353 -5.874 -18.385 1.00 41.80 H new ATOM 0 HG23 THR A 68 -1.345 -5.767 -19.848 1.00 41.80 H new ATOM 765 N VAL A 69 -0.617 -6.726 -16.694 1.00 33.44 N ATOM 766 CA VAL A 69 -0.786 -6.292 -15.315 1.00 31.48 C ATOM 767 C VAL A 69 -2.126 -5.579 -15.160 1.00 34.28 C ATOM 768 O VAL A 69 -2.322 -4.491 -15.697 1.00 37.70 O ATOM 769 CB VAL A 69 0.350 -5.341 -14.885 1.00 33.02 C ATOM 770 CG1 VAL A 69 0.187 -4.923 -13.433 1.00 31.05 C ATOM 771 CG2 VAL A 69 1.712 -5.985 -15.108 1.00 34.92 C ATOM 0 H VAL A 69 -0.103 -6.068 -17.280 1.00 33.44 H new ATOM 0 HA VAL A 69 -0.757 -7.175 -14.677 1.00 31.48 H new ATOM 0 HB VAL A 69 0.291 -4.447 -15.505 1.00 33.02 H new ATOM 0 HG11 VAL A 69 1.000 -4.253 -13.154 1.00 31.05 H new ATOM 0 HG12 VAL A 69 -0.766 -4.409 -13.307 1.00 31.05 H new ATOM 0 HG13 VAL A 69 0.210 -5.807 -12.795 1.00 31.05 H new ATOM 0 HG21 VAL A 69 2.496 -5.295 -14.797 1.00 34.92 H new ATOM 0 HG22 VAL A 69 1.782 -6.901 -14.522 1.00 34.92 H new ATOM 0 HG23 VAL A 69 1.834 -6.221 -16.165 1.00 34.92 H new ATOM 781 N GLU A 70 -3.047 -6.193 -14.432 1.00 27.61 N ATOM 782 CA GLU A 70 -4.371 -5.612 -14.239 1.00 28.48 C ATOM 783 C GLU A 70 -4.377 -4.609 -13.093 1.00 35.57 C ATOM 784 O GLU A 70 -4.790 -3.459 -13.257 1.00 36.58 O ATOM 785 CB GLU A 70 -5.400 -6.705 -13.958 1.00 34.68 C ATOM 786 CG GLU A 70 -5.233 -7.939 -14.826 1.00 39.08 C ATOM 787 CD GLU A 70 -6.451 -8.835 -14.786 1.00 33.19 C ATOM 788 OE1 GLU A 70 -6.938 -9.145 -13.679 1.00 39.04 O ATOM 789 OE2 GLU A 70 -6.937 -9.230 -15.868 1.00 44.88 O ATOM 0 H GLU A 70 -2.905 -7.089 -13.966 1.00 27.61 H new ATOM 0 HA GLU A 70 -4.634 -5.091 -15.159 1.00 28.48 H new ATOM 0 HB2 GLU A 70 -5.330 -6.997 -12.910 1.00 34.68 H new ATOM 0 HB3 GLU A 70 -6.400 -6.298 -14.109 1.00 34.68 H new ATOM 0 HG2 GLU A 70 -5.042 -7.634 -15.855 1.00 39.08 H new ATOM 0 HG3 GLU A 70 -4.360 -8.500 -14.493 1.00 39.08 H new ATOM 796 N ASP A 71 -3.923 -5.053 -11.932 1.00 27.90 N ATOM 797 CA ASP A 71 -3.889 -4.204 -10.751 1.00 27.06 C ATOM 798 C ASP A 71 -2.522 -3.566 -10.594 1.00 26.23 C ATOM 799 O ASP A 71 -1.504 -4.251 -10.641 1.00 25.29 O ATOM 800 CB ASP A 71 -4.233 -5.011 -9.497 1.00 27.28 C ATOM 801 CG ASP A 71 -5.677 -5.465 -9.485 1.00 36.49 C ATOM 802 OD1 ASP A 71 -6.553 -4.669 -9.090 1.00 44.65 O ATOM 803 OD2 ASP A 71 -5.945 -6.618 -9.875 1.00 33.15 O ATOM 0 H ASP A 71 -3.572 -5.999 -11.782 1.00 27.90 H new ATOM 0 HA ASP A 71 -4.633 -3.418 -10.878 1.00 27.06 H new ATOM 0 HB2 ASP A 71 -3.580 -5.882 -9.437 1.00 27.28 H new ATOM 0 HB3 ASP A 71 -4.038 -4.405 -8.612 1.00 27.28 H new ATOM 808 N ASP A 72 -2.510 -2.255 -10.429 1.00 28.12 N ATOM 809 CA ASP A 72 -1.276 -1.502 -10.253 1.00 27.09 C ATOM 810 C ASP A 72 -1.502 -0.421 -9.209 1.00 28.96 C ATOM 811 O ASP A 72 -2.116 0.606 -9.493 1.00 30.68 O ATOM 812 CB ASP A 72 -0.834 -0.877 -11.582 1.00 32.18 C ATOM 813 CG ASP A 72 0.425 -0.042 -11.452 1.00 37.86 C ATOM 814 OD1 ASP A 72 1.525 -0.626 -11.348 1.00 34.36 O ATOM 815 OD2 ASP A 72 0.325 1.203 -11.481 1.00 46.72 O ATOM 0 H ASP A 72 -3.353 -1.681 -10.413 1.00 28.12 H new ATOM 0 HA ASP A 72 -0.486 -2.174 -9.918 1.00 27.09 H new ATOM 0 HB2 ASP A 72 -0.665 -1.669 -12.312 1.00 32.18 H new ATOM 0 HB3 ASP A 72 -1.639 -0.253 -11.970 1.00 32.18 H new ATOM 820 N LEU A 73 -1.040 -0.665 -7.993 1.00 27.72 N ATOM 821 CA LEU A 73 -1.227 0.289 -6.912 1.00 25.71 C ATOM 822 C LEU A 73 0.095 0.875 -6.450 1.00 28.61 C ATOM 823 O LEU A 73 1.146 0.235 -6.545 1.00 28.34 O ATOM 824 CB LEU A 73 -1.940 -0.381 -5.737 1.00 28.50 C ATOM 825 CG LEU A 73 -3.364 -0.851 -6.035 1.00 38.00 C ATOM 826 CD1 LEU A 73 -3.740 -2.005 -5.122 1.00 46.75 C ATOM 827 CD2 LEU A 73 -4.347 0.299 -5.875 1.00 41.56 C ATOM 0 H LEU A 73 -0.535 -1.512 -7.731 1.00 27.72 H new ATOM 0 HA LEU A 73 -1.841 1.105 -7.291 1.00 25.71 H new ATOM 0 HB2 LEU A 73 -1.350 -1.238 -5.413 1.00 28.50 H new ATOM 0 HB3 LEU A 73 -1.971 0.319 -4.902 1.00 28.50 H new ATOM 0 HG LEU A 73 -3.407 -1.199 -7.067 1.00 38.00 H new ATOM 0 HD11 LEU A 73 -4.756 -2.329 -5.345 1.00 46.75 H new ATOM 0 HD12 LEU A 73 -3.051 -2.834 -5.281 1.00 46.75 H new ATOM 0 HD13 LEU A 73 -3.683 -1.680 -4.083 1.00 46.75 H new ATOM 0 HD21 LEU A 73 -5.356 -0.052 -6.091 1.00 41.56 H new ATOM 0 HD22 LEU A 73 -4.304 0.675 -4.853 1.00 41.56 H new ATOM 0 HD23 LEU A 73 -4.086 1.100 -6.567 1.00 41.56 H new ATOM 839 N ILE A 74 0.034 2.097 -5.954 1.00 26.56 N ATOM 840 CA ILE A 74 1.209 2.790 -5.462 1.00 26.14 C ATOM 841 C ILE A 74 1.166 2.825 -3.941 1.00 27.51 C ATOM 842 O ILE A 74 0.539 3.698 -3.344 1.00 28.90 O ATOM 843 CB ILE A 74 1.293 4.226 -6.016 1.00 28.52 C ATOM 844 CG1 ILE A 74 0.948 4.239 -7.508 1.00 30.04 C ATOM 845 CG2 ILE A 74 2.681 4.806 -5.782 1.00 31.95 C ATOM 846 CD1 ILE A 74 0.775 5.626 -8.083 1.00 35.26 C ATOM 0 H ILE A 74 -0.829 2.635 -5.881 1.00 26.56 H new ATOM 0 HA ILE A 74 2.094 2.252 -5.801 1.00 26.14 H new ATOM 0 HB ILE A 74 0.569 4.847 -5.488 1.00 28.52 H new ATOM 0 HG12 ILE A 74 1.736 3.724 -8.058 1.00 30.04 H new ATOM 0 HG13 ILE A 74 0.029 3.674 -7.664 1.00 30.04 H new ATOM 0 HG21 ILE A 74 2.723 5.820 -6.179 1.00 31.95 H new ATOM 0 HG22 ILE A 74 2.891 4.826 -4.713 1.00 31.95 H new ATOM 0 HG23 ILE A 74 3.423 4.188 -6.286 1.00 31.95 H new ATOM 0 HD11 ILE A 74 0.532 5.553 -9.143 1.00 35.26 H new ATOM 0 HD12 ILE A 74 -0.033 6.138 -7.560 1.00 35.26 H new ATOM 0 HD13 ILE A 74 1.701 6.189 -7.961 1.00 35.26 H new ATOM 858 N ILE A 75 1.829 1.864 -3.326 1.00 25.23 N ATOM 859 CA ILE A 75 1.849 1.753 -1.879 1.00 23.84 C ATOM 860 C ILE A 75 2.909 2.659 -1.268 1.00 27.62 C ATOM 861 O ILE A 75 4.059 2.683 -1.711 1.00 28.33 O ATOM 862 CB ILE A 75 2.118 0.301 -1.425 1.00 26.16 C ATOM 863 CG1 ILE A 75 1.255 -0.693 -2.214 1.00 34.34 C ATOM 864 CG2 ILE A 75 1.872 0.157 0.071 1.00 27.19 C ATOM 865 CD1 ILE A 75 -0.234 -0.421 -2.146 1.00 41.17 C ATOM 0 H ILE A 75 2.365 1.144 -3.810 1.00 25.23 H new ATOM 0 HA ILE A 75 0.863 2.062 -1.532 1.00 23.84 H new ATOM 0 HB ILE A 75 3.164 0.071 -1.628 1.00 26.16 H new ATOM 0 HG12 ILE A 75 1.567 -0.678 -3.258 1.00 34.34 H new ATOM 0 HG13 ILE A 75 1.446 -1.699 -1.839 1.00 34.34 H new ATOM 0 HG21 ILE A 75 2.066 -0.872 0.374 1.00 27.19 H new ATOM 0 HG22 ILE A 75 2.537 0.827 0.615 1.00 27.19 H new ATOM 0 HG23 ILE A 75 0.836 0.412 0.296 1.00 27.19 H new ATOM 0 HD11 ILE A 75 -0.768 -1.170 -2.731 1.00 41.17 H new ATOM 0 HD12 ILE A 75 -0.565 -0.467 -1.109 1.00 41.17 H new ATOM 0 HD13 ILE A 75 -0.442 0.570 -2.550 1.00 41.17 H new ATOM 877 N PHE A 76 2.504 3.414 -0.261 1.00 27.22 N ATOM 878 CA PHE A 76 3.405 4.311 0.436 1.00 29.75 C ATOM 879 C PHE A 76 3.818 3.686 1.766 1.00 28.37 C ATOM 880 O PHE A 76 3.159 2.763 2.245 1.00 30.39 O ATOM 881 CB PHE A 76 2.734 5.665 0.667 1.00 28.99 C ATOM 882 CG PHE A 76 2.859 6.613 -0.496 1.00 26.06 C ATOM 883 CD1 PHE A 76 2.311 6.297 -1.728 1.00 29.04 C ATOM 884 CD2 PHE A 76 3.518 7.825 -0.351 1.00 26.47 C ATOM 885 CE1 PHE A 76 2.418 7.167 -2.795 1.00 30.38 C ATOM 886 CE2 PHE A 76 3.627 8.701 -1.414 1.00 27.65 C ATOM 887 CZ PHE A 76 3.077 8.372 -2.637 1.00 29.98 C ATOM 0 H PHE A 76 1.548 3.422 0.093 1.00 27.22 H new ATOM 0 HA PHE A 76 4.294 4.471 -0.174 1.00 29.75 H new ATOM 0 HB2 PHE A 76 1.677 5.504 0.880 1.00 28.99 H new ATOM 0 HB3 PHE A 76 3.171 6.130 1.551 1.00 28.99 H new ATOM 0 HD1 PHE A 76 1.793 5.358 -1.856 1.00 29.04 H new ATOM 0 HD2 PHE A 76 3.951 8.087 0.603 1.00 26.47 H new ATOM 0 HE1 PHE A 76 1.988 6.907 -3.751 1.00 30.38 H new ATOM 0 HE2 PHE A 76 4.142 9.642 -1.288 1.00 27.65 H new ATOM 0 HZ PHE A 76 3.162 9.055 -3.469 1.00 29.98 H new ATOM 897 N PRO A 77 4.923 4.160 2.367 1.00 29.47 N ATOM 898 CA PRO A 77 5.414 3.636 3.647 1.00 29.23 C ATOM 899 C PRO A 77 4.338 3.610 4.737 1.00 36.32 C ATOM 900 O PRO A 77 3.784 4.653 5.109 1.00 38.20 O ATOM 901 CB PRO A 77 6.534 4.608 4.025 1.00 29.39 C ATOM 902 CG PRO A 77 7.010 5.152 2.725 1.00 32.72 C ATOM 903 CD PRO A 77 5.797 5.229 1.841 1.00 31.35 C ATOM 0 HA PRO A 77 5.738 2.599 3.555 1.00 29.23 H new ATOM 0 HB2 PRO A 77 6.168 5.401 4.677 1.00 29.39 H new ATOM 0 HB3 PRO A 77 7.336 4.100 4.560 1.00 29.39 H new ATOM 0 HG2 PRO A 77 7.461 6.136 2.855 1.00 32.72 H new ATOM 0 HG3 PRO A 77 7.772 4.507 2.287 1.00 32.72 H new ATOM 0 HD2 PRO A 77 5.317 6.206 1.901 1.00 31.35 H new ATOM 0 HD3 PRO A 77 6.051 5.062 0.794 1.00 31.35 H new ATOM 911 N ASP A 78 4.030 2.399 5.211 1.00 37.07 N ATOM 912 CA ASP A 78 3.042 2.183 6.274 1.00 38.13 C ATOM 913 C ASP A 78 1.638 2.609 5.838 1.00 38.12 C ATOM 914 O ASP A 78 0.817 3.010 6.659 1.00 41.39 O ATOM 915 CB ASP A 78 3.454 2.938 7.549 1.00 44.12 C ATOM 916 CG ASP A 78 2.787 2.404 8.805 1.00 58.24 C ATOM 917 OD1 ASP A 78 3.193 1.326 9.292 1.00 63.10 O ATOM 918 OD2 ASP A 78 1.860 3.065 9.325 1.00 68.01 O ATOM 0 H ASP A 78 4.459 1.539 4.868 1.00 37.07 H new ATOM 0 HA ASP A 78 3.014 1.114 6.484 1.00 38.13 H new ATOM 0 HB2 ASP A 78 4.536 2.876 7.666 1.00 44.12 H new ATOM 0 HB3 ASP A 78 3.206 3.993 7.435 1.00 44.12 H new ATOM 923 N ASP A 79 1.357 2.526 4.546 1.00 32.78 N ATOM 924 CA ASP A 79 0.041 2.907 4.040 1.00 31.87 C ATOM 925 C ASP A 79 -0.899 1.711 4.007 1.00 31.67 C ATOM 926 O ASP A 79 -2.100 1.844 4.237 1.00 31.28 O ATOM 927 CB ASP A 79 0.139 3.513 2.643 1.00 30.43 C ATOM 928 CG ASP A 79 -1.188 4.087 2.178 1.00 37.99 C ATOM 929 OD1 ASP A 79 -1.526 5.211 2.603 1.00 32.65 O ATOM 930 OD2 ASP A 79 -1.890 3.411 1.395 1.00 39.45 O ATOM 0 H ASP A 79 2.012 2.203 3.834 1.00 32.78 H new ATOM 0 HA ASP A 79 -0.360 3.657 4.722 1.00 31.87 H new ATOM 0 HB2 ASP A 79 0.895 4.299 2.641 1.00 30.43 H new ATOM 0 HB3 ASP A 79 0.471 2.750 1.939 1.00 30.43 H new ATOM 935 N CYS A 80 -0.352 0.540 3.731 1.00 31.58 N ATOM 936 CA CYS A 80 -1.158 -0.669 3.660 1.00 30.94 C ATOM 937 C CYS A 80 -0.647 -1.734 4.622 1.00 28.98 C ATOM 938 O CYS A 80 0.545 -1.789 4.935 1.00 31.11 O ATOM 939 CB CYS A 80 -1.162 -1.207 2.233 1.00 31.93 C ATOM 940 SG CYS A 80 -1.497 0.051 0.981 1.00 37.05 S ATOM 0 H CYS A 80 0.642 0.399 3.553 1.00 31.58 H new ATOM 0 HA CYS A 80 -2.177 -0.415 3.953 1.00 30.94 H new ATOM 0 HB2 CYS A 80 -0.195 -1.665 2.025 1.00 31.93 H new ATOM 0 HB3 CYS A 80 -1.912 -1.994 2.153 1.00 31.93 H new ATOM 0 HG CYS A 80 -2.648 -0.186 0.425 1.00 37.05 H new ATOM 946 N GLU A 81 -1.564 -2.567 5.092 1.00 25.38 N ATOM 947 CA GLU A 81 -1.248 -3.643 6.018 1.00 28.86 C ATOM 948 C GLU A 81 -1.702 -4.984 5.441 1.00 26.91 C ATOM 949 O GLU A 81 -2.876 -5.164 5.115 1.00 29.90 O ATOM 950 CB GLU A 81 -1.933 -3.375 7.363 1.00 32.62 C ATOM 951 CG GLU A 81 -1.888 -4.544 8.333 1.00 41.20 C ATOM 952 CD GLU A 81 -2.770 -4.326 9.544 1.00 46.74 C ATOM 953 OE1 GLU A 81 -3.787 -3.605 9.432 1.00 59.83 O ATOM 954 OE2 GLU A 81 -2.456 -4.881 10.618 1.00 54.12 O ATOM 0 H GLU A 81 -2.551 -2.515 4.841 1.00 25.38 H new ATOM 0 HA GLU A 81 -0.170 -3.685 6.171 1.00 28.86 H new ATOM 0 HB2 GLU A 81 -1.461 -2.511 7.832 1.00 32.62 H new ATOM 0 HB3 GLU A 81 -2.974 -3.110 7.180 1.00 32.62 H new ATOM 0 HG2 GLU A 81 -2.202 -5.452 7.818 1.00 41.20 H new ATOM 0 HG3 GLU A 81 -0.860 -4.702 8.660 1.00 41.20 H new ATOM 961 N PHE A 82 -0.770 -5.913 5.304 1.00 27.17 N ATOM 962 CA PHE A 82 -1.077 -7.230 4.761 1.00 24.89 C ATOM 963 C PHE A 82 -1.180 -8.244 5.893 1.00 26.35 C ATOM 964 O PHE A 82 -0.240 -8.416 6.664 1.00 28.01 O ATOM 965 CB PHE A 82 0.008 -7.648 3.765 1.00 24.82 C ATOM 966 CG PHE A 82 -0.417 -8.729 2.809 1.00 26.08 C ATOM 967 CD1 PHE A 82 -1.548 -8.575 2.023 1.00 26.96 C ATOM 968 CD2 PHE A 82 0.325 -9.891 2.689 1.00 25.08 C ATOM 969 CE1 PHE A 82 -1.931 -9.562 1.134 1.00 25.16 C ATOM 970 CE2 PHE A 82 -0.053 -10.882 1.804 1.00 24.61 C ATOM 971 CZ PHE A 82 -1.182 -10.717 1.025 1.00 23.81 C ATOM 0 H PHE A 82 0.208 -5.781 5.561 1.00 27.17 H new ATOM 0 HA PHE A 82 -2.033 -7.191 4.239 1.00 24.89 H new ATOM 0 HB2 PHE A 82 0.317 -6.773 3.193 1.00 24.82 H new ATOM 0 HB3 PHE A 82 0.882 -7.991 4.319 1.00 24.82 H new ATOM 0 HD1 PHE A 82 -2.137 -7.674 2.106 1.00 26.96 H new ATOM 0 HD2 PHE A 82 1.210 -10.025 3.294 1.00 25.08 H new ATOM 0 HE1 PHE A 82 -2.814 -9.430 0.526 1.00 25.16 H new ATOM 0 HE2 PHE A 82 0.534 -11.785 1.721 1.00 24.61 H new ATOM 0 HZ PHE A 82 -1.478 -11.490 0.332 1.00 23.81 H new ATOM 981 N LYS A 83 -2.318 -8.912 6.004 1.00 25.24 N ATOM 982 CA LYS A 83 -2.513 -9.891 7.063 1.00 27.67 C ATOM 983 C LYS A 83 -3.367 -11.058 6.577 1.00 24.72 C ATOM 984 O LYS A 83 -4.147 -10.916 5.636 1.00 26.15 O ATOM 985 CB LYS A 83 -3.172 -9.214 8.269 1.00 34.55 C ATOM 986 CG LYS A 83 -2.825 -9.845 9.609 1.00 49.96 C ATOM 987 CD LYS A 83 -2.630 -8.787 10.688 1.00 44.98 C ATOM 988 CE LYS A 83 -3.917 -8.020 10.972 1.00 55.29 C ATOM 989 NZ LYS A 83 -3.690 -6.857 11.873 1.00 57.71 N ATOM 0 H LYS A 83 -3.116 -8.796 5.379 1.00 25.24 H new ATOM 0 HA LYS A 83 -1.541 -10.288 7.357 1.00 27.67 H new ATOM 0 HB2 LYS A 83 -2.877 -8.165 8.288 1.00 34.55 H new ATOM 0 HB3 LYS A 83 -4.254 -9.239 8.138 1.00 34.55 H new ATOM 0 HG2 LYS A 83 -3.620 -10.529 9.907 1.00 49.96 H new ATOM 0 HG3 LYS A 83 -1.915 -10.437 9.509 1.00 49.96 H new ATOM 0 HD2 LYS A 83 -2.282 -9.263 11.604 1.00 44.98 H new ATOM 0 HD3 LYS A 83 -1.853 -8.089 10.376 1.00 44.98 H new ATOM 0 HE2 LYS A 83 -4.345 -7.671 10.032 1.00 55.29 H new ATOM 0 HE3 LYS A 83 -4.646 -8.692 11.425 1.00 55.29 H new ATOM 0 HZ1 LYS A 83 -4.542 -6.691 12.446 1.00 57.71 H new ATOM 0 HZ2 LYS A 83 -2.884 -7.055 12.500 1.00 57.71 H new ATOM 0 HZ3 LYS A 83 -3.486 -6.011 11.303 1.00 57.71 H new ATOM 1003 N ARG A 84 -3.200 -12.214 7.205 1.00 26.20 N ATOM 1004 CA ARG A 84 -3.965 -13.400 6.844 1.00 24.84 C ATOM 1005 C ARG A 84 -5.312 -13.383 7.548 1.00 26.43 C ATOM 1006 O ARG A 84 -5.434 -12.846 8.648 1.00 28.19 O ATOM 1007 CB ARG A 84 -3.202 -14.674 7.221 1.00 27.68 C ATOM 1008 CG ARG A 84 -3.746 -15.932 6.562 1.00 30.59 C ATOM 1009 CD ARG A 84 -2.894 -17.149 6.883 1.00 38.05 C ATOM 1010 NE ARG A 84 -3.075 -17.605 8.261 1.00 45.74 N ATOM 1011 CZ ARG A 84 -3.065 -18.886 8.627 1.00 54.89 C ATOM 1012 NH1 ARG A 84 -2.917 -19.842 7.716 1.00 55.75 N ATOM 1013 NH2 ARG A 84 -3.230 -19.211 9.903 1.00 51.71 N ATOM 0 H ARG A 84 -2.540 -12.356 7.969 1.00 26.20 H new ATOM 0 HA ARG A 84 -4.119 -13.393 5.765 1.00 24.84 H new ATOM 0 HB2 ARG A 84 -2.154 -14.554 6.945 1.00 27.68 H new ATOM 0 HB3 ARG A 84 -3.234 -14.799 8.303 1.00 27.68 H new ATOM 0 HG2 ARG A 84 -4.769 -16.105 6.897 1.00 30.59 H new ATOM 0 HG3 ARG A 84 -3.784 -15.789 5.482 1.00 30.59 H new ATOM 0 HD2 ARG A 84 -3.148 -17.958 6.198 1.00 38.05 H new ATOM 0 HD3 ARG A 84 -1.844 -16.909 6.717 1.00 38.05 H new ATOM 0 HE ARG A 84 -3.217 -16.900 8.985 1.00 45.74 H new ATOM 0 HH11 ARG A 84 -2.810 -19.596 6.732 1.00 55.75 H new ATOM 0 HH12 ARG A 84 -2.910 -20.821 8.001 1.00 55.75 H new ATOM 0 HH21 ARG A 84 -3.364 -18.480 10.602 1.00 51.71 H new ATOM 0 HH22 ARG A 84 -3.223 -20.191 10.185 1.00 51.71 H new ATOM 1027 N VAL A 85 -6.322 -13.959 6.914 1.00 26.80 N ATOM 1028 CA VAL A 85 -7.653 -14.014 7.496 1.00 28.35 C ATOM 1029 C VAL A 85 -7.851 -15.331 8.244 1.00 26.05 C ATOM 1030 O VAL A 85 -7.999 -16.385 7.627 1.00 30.08 O ATOM 1031 CB VAL A 85 -8.753 -13.866 6.424 1.00 28.02 C ATOM 1032 CG1 VAL A 85 -10.122 -13.719 7.071 1.00 31.09 C ATOM 1033 CG2 VAL A 85 -8.463 -12.682 5.514 1.00 26.97 C ATOM 0 H VAL A 85 -6.244 -14.395 5.995 1.00 26.80 H new ATOM 0 HA VAL A 85 -7.737 -13.178 8.191 1.00 28.35 H new ATOM 0 HB VAL A 85 -8.757 -14.772 5.817 1.00 28.02 H new ATOM 0 HG11 VAL A 85 -10.882 -13.616 6.296 1.00 31.09 H new ATOM 0 HG12 VAL A 85 -10.336 -14.601 7.674 1.00 31.09 H new ATOM 0 HG13 VAL A 85 -10.131 -12.834 7.707 1.00 31.09 H new ATOM 0 HG21 VAL A 85 -9.251 -12.596 4.766 1.00 26.97 H new ATOM 0 HG22 VAL A 85 -8.425 -11.768 6.107 1.00 26.97 H new ATOM 0 HG23 VAL A 85 -7.505 -12.832 5.016 1.00 26.97 H new ATOM 1043 N PRO A 86 -7.858 -15.285 9.587 1.00 32.41 N ATOM 1044 CA PRO A 86 -8.031 -16.479 10.420 1.00 33.92 C ATOM 1045 C PRO A 86 -9.495 -16.903 10.534 1.00 37.33 C ATOM 1046 O PRO A 86 -9.837 -17.815 11.285 1.00 42.97 O ATOM 1047 CB PRO A 86 -7.491 -16.028 11.776 1.00 38.12 C ATOM 1048 CG PRO A 86 -7.768 -14.565 11.825 1.00 38.96 C ATOM 1049 CD PRO A 86 -7.690 -14.064 10.403 1.00 35.71 C ATOM 0 HA PRO A 86 -7.522 -17.350 10.008 1.00 33.92 H new ATOM 0 HB2 PRO A 86 -7.986 -16.552 12.594 1.00 38.12 H new ATOM 0 HB3 PRO A 86 -6.424 -16.232 11.865 1.00 38.12 H new ATOM 0 HG2 PRO A 86 -8.752 -14.371 12.251 1.00 38.96 H new ATOM 0 HG3 PRO A 86 -7.041 -14.054 12.456 1.00 38.96 H new ATOM 0 HD2 PRO A 86 -8.471 -13.333 10.194 1.00 35.71 H new ATOM 0 HD3 PRO A 86 -6.735 -13.577 10.202 1.00 35.71 H new ATOM 1057 N GLN A 87 -10.353 -16.229 9.782 1.00 34.50 N ATOM 1058 CA GLN A 87 -11.776 -16.528 9.783 1.00 34.12 C ATOM 1059 C GLN A 87 -12.118 -17.479 8.640 1.00 32.97 C ATOM 1060 O GLN A 87 -13.258 -17.925 8.505 1.00 29.14 O ATOM 1061 CB GLN A 87 -12.589 -15.236 9.654 1.00 35.26 C ATOM 1062 CG GLN A 87 -12.499 -14.334 10.878 1.00 42.92 C ATOM 1063 CD GLN A 87 -13.214 -14.913 12.083 1.00 54.68 C ATOM 1064 OE1 GLN A 87 -14.181 -15.664 11.947 1.00 53.82 O ATOM 1065 NE2 GLN A 87 -12.743 -14.572 13.272 1.00 56.31 N ATOM 0 H GLN A 87 -10.085 -15.467 9.160 1.00 34.50 H new ATOM 0 HA GLN A 87 -12.029 -17.010 10.727 1.00 34.12 H new ATOM 0 HB2 GLN A 87 -12.242 -14.684 8.780 1.00 35.26 H new ATOM 0 HB3 GLN A 87 -13.634 -15.490 9.477 1.00 35.26 H new ATOM 0 HG2 GLN A 87 -11.451 -14.169 11.127 1.00 42.92 H new ATOM 0 HG3 GLN A 87 -12.927 -13.360 10.639 1.00 42.92 H new ATOM 0 HE21 GLN A 87 -11.940 -13.947 13.342 1.00 56.31 H new ATOM 0 HE22 GLN A 87 -13.183 -14.934 14.118 1.00 56.31 H new ATOM 1074 N CYS A 88 -11.123 -17.783 7.819 1.00 30.59 N ATOM 1075 CA CYS A 88 -11.310 -18.677 6.689 1.00 30.96 C ATOM 1076 C CYS A 88 -10.625 -20.016 6.955 1.00 32.25 C ATOM 1077 O CYS A 88 -9.411 -20.066 7.154 1.00 33.41 O ATOM 1078 CB CYS A 88 -10.753 -18.037 5.419 1.00 32.19 C ATOM 1079 SG CYS A 88 -11.501 -16.441 5.015 1.00 39.96 S ATOM 0 H CYS A 88 -10.174 -17.421 7.916 1.00 30.59 H new ATOM 0 HA CYS A 88 -12.377 -18.856 6.553 1.00 30.96 H new ATOM 0 HB2 CYS A 88 -9.677 -17.905 5.532 1.00 32.19 H new ATOM 0 HB3 CYS A 88 -10.904 -18.720 4.583 1.00 32.19 H new ATOM 0 HG CYS A 88 -11.490 -16.270 3.726 1.00 39.96 H new ATOM 1085 N PRO A 89 -11.402 -21.116 6.965 1.00 33.30 N ATOM 1086 CA PRO A 89 -10.882 -22.471 7.213 1.00 32.59 C ATOM 1087 C PRO A 89 -9.754 -22.872 6.258 1.00 34.13 C ATOM 1088 O PRO A 89 -8.935 -23.735 6.583 1.00 38.31 O ATOM 1089 CB PRO A 89 -12.101 -23.369 6.998 1.00 37.71 C ATOM 1090 CG PRO A 89 -13.274 -22.483 7.233 1.00 38.21 C ATOM 1091 CD PRO A 89 -12.862 -21.120 6.759 1.00 32.90 C ATOM 0 HA PRO A 89 -10.441 -22.547 8.207 1.00 32.59 H new ATOM 0 HB2 PRO A 89 -12.114 -23.783 5.990 1.00 37.71 H new ATOM 0 HB3 PRO A 89 -12.098 -24.212 7.689 1.00 37.71 H new ATOM 0 HG2 PRO A 89 -14.148 -22.839 6.687 1.00 38.21 H new ATOM 0 HG3 PRO A 89 -13.544 -22.464 8.289 1.00 38.21 H new ATOM 0 HD2 PRO A 89 -13.121 -20.963 5.712 1.00 32.90 H new ATOM 0 HD3 PRO A 89 -13.351 -20.331 7.330 1.00 32.90 H new ATOM 1099 N SER A 90 -9.724 -22.258 5.079 1.00 34.04 N ATOM 1100 CA SER A 90 -8.692 -22.546 4.094 1.00 33.45 C ATOM 1101 C SER A 90 -7.324 -22.135 4.629 1.00 29.83 C ATOM 1102 O SER A 90 -6.337 -22.851 4.464 1.00 32.46 O ATOM 1103 CB SER A 90 -8.987 -21.807 2.788 1.00 33.88 C ATOM 1104 OG SER A 90 -9.227 -20.428 3.028 1.00 33.97 O ATOM 0 H SER A 90 -10.404 -21.557 4.784 1.00 34.04 H new ATOM 0 HA SER A 90 -8.686 -23.618 3.898 1.00 33.45 H new ATOM 0 HB2 SER A 90 -8.146 -21.920 2.104 1.00 33.88 H new ATOM 0 HB3 SER A 90 -9.855 -22.252 2.302 1.00 33.88 H new ATOM 0 HG SER A 90 -9.857 -20.085 2.361 1.00 33.97 H new ATOM 1110 N GLY A 91 -7.282 -20.974 5.275 1.00 27.54 N ATOM 1111 CA GLY A 91 -6.044 -20.467 5.834 1.00 29.96 C ATOM 1112 C GLY A 91 -5.117 -19.890 4.783 1.00 31.42 C ATOM 1113 O GLY A 91 -4.006 -19.469 5.094 1.00 34.09 O ATOM 0 H GLY A 91 -8.092 -20.371 5.422 1.00 27.54 H new ATOM 0 HA2 GLY A 91 -6.272 -19.698 6.572 1.00 29.96 H new ATOM 0 HA3 GLY A 91 -5.532 -21.272 6.361 1.00 29.96 H new ATOM 1117 N ARG A 92 -5.572 -19.862 3.535 1.00 27.65 N ATOM 1118 CA ARG A 92 -4.758 -19.336 2.443 1.00 24.26 C ATOM 1119 C ARG A 92 -5.291 -17.985 1.984 1.00 23.50 C ATOM 1120 O ARG A 92 -4.797 -17.403 1.017 1.00 23.58 O ATOM 1121 CB ARG A 92 -4.734 -20.301 1.250 1.00 28.75 C ATOM 1122 CG ARG A 92 -4.761 -21.777 1.622 1.00 30.87 C ATOM 1123 CD ARG A 92 -3.563 -22.185 2.472 1.00 25.34 C ATOM 1124 NE ARG A 92 -2.281 -21.824 1.862 1.00 25.37 N ATOM 1125 CZ ARG A 92 -1.740 -22.444 0.809 1.00 27.61 C ATOM 1126 NH1 ARG A 92 -2.385 -23.428 0.188 1.00 30.43 N ATOM 1127 NH2 ARG A 92 -0.539 -22.086 0.384 1.00 28.83 N ATOM 0 H ARG A 92 -6.494 -20.195 3.254 1.00 27.65 H new ATOM 0 HA ARG A 92 -3.742 -19.220 2.820 1.00 24.26 H new ATOM 0 HB2 ARG A 92 -5.590 -20.086 0.610 1.00 28.75 H new ATOM 0 HB3 ARG A 92 -3.838 -20.106 0.661 1.00 28.75 H new ATOM 0 HG2 ARG A 92 -5.680 -21.995 2.166 1.00 30.87 H new ATOM 0 HG3 ARG A 92 -4.779 -22.378 0.713 1.00 30.87 H new ATOM 0 HD2 ARG A 92 -3.640 -21.711 3.451 1.00 25.34 H new ATOM 0 HD3 ARG A 92 -3.591 -23.262 2.636 1.00 25.34 H new ATOM 0 HE ARG A 92 -1.765 -21.044 2.270 1.00 25.37 H new ATOM 0 HH11 ARG A 92 -3.306 -23.719 0.514 1.00 30.43 H new ATOM 0 HH12 ARG A 92 -1.958 -23.891 -0.614 1.00 30.43 H new ATOM 0 HH21 ARG A 92 -0.031 -21.340 0.860 1.00 28.83 H new ATOM 0 HH22 ARG A 92 -0.121 -22.556 -0.419 1.00 28.83 H new ATOM 1141 N VAL A 93 -6.302 -17.491 2.686 1.00 22.88 N ATOM 1142 CA VAL A 93 -6.916 -16.216 2.349 1.00 22.13 C ATOM 1143 C VAL A 93 -6.211 -15.073 3.070 1.00 21.42 C ATOM 1144 O VAL A 93 -6.171 -15.025 4.300 1.00 22.34 O ATOM 1145 CB VAL A 93 -8.420 -16.202 2.702 1.00 22.65 C ATOM 1146 CG1 VAL A 93 -9.046 -14.850 2.386 1.00 22.64 C ATOM 1147 CG2 VAL A 93 -9.149 -17.311 1.957 1.00 26.59 C ATOM 0 H VAL A 93 -6.715 -17.956 3.495 1.00 22.88 H new ATOM 0 HA VAL A 93 -6.813 -16.080 1.272 1.00 22.13 H new ATOM 0 HB VAL A 93 -8.517 -16.376 3.774 1.00 22.65 H new ATOM 0 HG11 VAL A 93 -10.105 -14.870 2.645 1.00 22.64 H new ATOM 0 HG12 VAL A 93 -8.546 -14.073 2.964 1.00 22.64 H new ATOM 0 HG13 VAL A 93 -8.936 -14.638 1.322 1.00 22.64 H new ATOM 0 HG21 VAL A 93 -10.208 -17.288 2.216 1.00 26.59 H new ATOM 0 HG22 VAL A 93 -9.035 -17.164 0.883 1.00 26.59 H new ATOM 0 HG23 VAL A 93 -8.727 -18.276 2.238 1.00 26.59 H new ATOM 1157 N TYR A 94 -5.646 -14.170 2.293 1.00 22.73 N ATOM 1158 CA TYR A 94 -4.941 -13.018 2.827 1.00 22.99 C ATOM 1159 C TYR A 94 -5.683 -11.741 2.463 1.00 26.07 C ATOM 1160 O TYR A 94 -6.298 -11.655 1.401 1.00 23.44 O ATOM 1161 CB TYR A 94 -3.511 -12.977 2.289 1.00 21.02 C ATOM 1162 CG TYR A 94 -2.537 -13.794 3.106 1.00 22.31 C ATOM 1163 CD1 TYR A 94 -2.405 -15.164 2.906 1.00 25.65 C ATOM 1164 CD2 TYR A 94 -1.757 -13.199 4.087 1.00 23.62 C ATOM 1165 CE1 TYR A 94 -1.523 -15.913 3.662 1.00 22.18 C ATOM 1166 CE2 TYR A 94 -0.876 -13.943 4.846 1.00 23.29 C ATOM 1167 CZ TYR A 94 -0.761 -15.297 4.631 1.00 22.64 C ATOM 1168 OH TYR A 94 0.110 -16.039 5.393 1.00 28.22 O ATOM 0 H TYR A 94 -5.662 -14.213 1.274 1.00 22.73 H new ATOM 0 HA TYR A 94 -4.898 -13.101 3.913 1.00 22.99 H new ATOM 0 HB2 TYR A 94 -3.507 -13.342 1.262 1.00 21.02 H new ATOM 0 HB3 TYR A 94 -3.171 -11.942 2.261 1.00 21.02 H new ATOM 0 HD1 TYR A 94 -3.001 -15.650 2.148 1.00 25.65 H new ATOM 0 HD2 TYR A 94 -1.840 -12.136 4.260 1.00 23.62 H new ATOM 0 HE1 TYR A 94 -1.431 -16.976 3.494 1.00 22.18 H new ATOM 0 HE2 TYR A 94 -0.278 -13.463 5.607 1.00 23.29 H new ATOM 0 HH TYR A 94 0.196 -15.632 6.280 1.00 28.22 H new ATOM 1178 N VAL A 95 -5.627 -10.755 3.342 1.00 24.99 N ATOM 1179 CA VAL A 95 -6.307 -9.495 3.106 1.00 23.89 C ATOM 1180 C VAL A 95 -5.338 -8.318 3.195 1.00 23.26 C ATOM 1181 O VAL A 95 -4.483 -8.255 4.084 1.00 23.44 O ATOM 1182 CB VAL A 95 -7.479 -9.291 4.100 1.00 25.51 C ATOM 1183 CG1 VAL A 95 -6.990 -9.317 5.541 1.00 27.46 C ATOM 1184 CG2 VAL A 95 -8.225 -7.995 3.810 1.00 25.26 C ATOM 0 H VAL A 95 -5.118 -10.803 4.225 1.00 24.99 H new ATOM 0 HA VAL A 95 -6.714 -9.535 2.096 1.00 23.89 H new ATOM 0 HB VAL A 95 -8.173 -10.120 3.964 1.00 25.51 H new ATOM 0 HG11 VAL A 95 -7.835 -9.171 6.215 1.00 27.46 H new ATOM 0 HG12 VAL A 95 -6.522 -10.279 5.749 1.00 27.46 H new ATOM 0 HG13 VAL A 95 -6.263 -8.519 5.693 1.00 27.46 H new ATOM 0 HG21 VAL A 95 -9.042 -7.878 4.522 1.00 25.26 H new ATOM 0 HG22 VAL A 95 -7.540 -7.152 3.902 1.00 25.26 H new ATOM 0 HG23 VAL A 95 -8.628 -8.026 2.798 1.00 25.26 H new ATOM 1194 N LEU A 96 -5.460 -7.413 2.240 1.00 23.86 N ATOM 1195 CA LEU A 96 -4.640 -6.219 2.199 1.00 23.96 C ATOM 1196 C LEU A 96 -5.477 -5.046 2.684 1.00 23.08 C ATOM 1197 O LEU A 96 -6.311 -4.514 1.949 1.00 24.63 O ATOM 1198 CB LEU A 96 -4.117 -5.973 0.778 1.00 22.80 C ATOM 1199 CG LEU A 96 -3.133 -4.807 0.625 1.00 24.99 C ATOM 1200 CD1 LEU A 96 -1.917 -5.003 1.519 1.00 27.30 C ATOM 1201 CD2 LEU A 96 -2.707 -4.661 -0.829 1.00 30.96 C ATOM 0 H LEU A 96 -6.129 -7.486 1.474 1.00 23.86 H new ATOM 0 HA LEU A 96 -3.772 -6.340 2.847 1.00 23.96 H new ATOM 0 HB2 LEU A 96 -3.631 -6.883 0.427 1.00 22.80 H new ATOM 0 HB3 LEU A 96 -4.969 -5.794 0.123 1.00 22.80 H new ATOM 0 HG LEU A 96 -3.637 -3.892 0.934 1.00 24.99 H new ATOM 0 HD11 LEU A 96 -1.234 -4.163 1.393 1.00 27.30 H new ATOM 0 HD12 LEU A 96 -2.236 -5.058 2.560 1.00 27.30 H new ATOM 0 HD13 LEU A 96 -1.410 -5.928 1.245 1.00 27.30 H new ATOM 0 HD21 LEU A 96 -2.009 -3.829 -0.922 1.00 30.96 H new ATOM 0 HD22 LEU A 96 -2.223 -5.580 -1.160 1.00 30.96 H new ATOM 0 HD23 LEU A 96 -3.584 -4.469 -1.448 1.00 30.96 H new ATOM 1213 N LYS A 97 -5.273 -4.679 3.938 1.00 24.23 N ATOM 1214 CA LYS A 97 -6.015 -3.593 4.557 1.00 27.23 C ATOM 1215 C LYS A 97 -5.287 -2.265 4.392 1.00 29.52 C ATOM 1216 O LYS A 97 -4.213 -2.056 4.952 1.00 33.87 O ATOM 1217 CB LYS A 97 -6.240 -3.901 6.040 1.00 30.73 C ATOM 1218 CG LYS A 97 -6.779 -2.728 6.845 1.00 37.27 C ATOM 1219 CD LYS A 97 -7.112 -3.145 8.265 1.00 43.28 C ATOM 1220 CE LYS A 97 -6.990 -1.982 9.236 1.00 47.29 C ATOM 1221 NZ LYS A 97 -5.572 -1.638 9.517 1.00 53.53 N ATOM 0 H LYS A 97 -4.592 -5.123 4.554 1.00 24.23 H new ATOM 0 HA LYS A 97 -6.980 -3.505 4.059 1.00 27.23 H new ATOM 0 HB2 LYS A 97 -6.936 -4.736 6.125 1.00 30.73 H new ATOM 0 HB3 LYS A 97 -5.297 -4.226 6.479 1.00 30.73 H new ATOM 0 HG2 LYS A 97 -6.041 -1.926 6.862 1.00 37.27 H new ATOM 0 HG3 LYS A 97 -7.671 -2.331 6.361 1.00 37.27 H new ATOM 0 HD2 LYS A 97 -8.126 -3.543 8.299 1.00 43.28 H new ATOM 0 HD3 LYS A 97 -6.444 -3.949 8.574 1.00 43.28 H new ATOM 0 HE2 LYS A 97 -7.500 -1.111 8.824 1.00 47.29 H new ATOM 0 HE3 LYS A 97 -7.494 -2.234 10.169 1.00 47.29 H new ATOM 0 HZ1 LYS A 97 -5.414 -1.628 10.545 1.00 53.53 H new ATOM 0 HZ2 LYS A 97 -4.949 -2.346 9.078 1.00 53.53 H new ATOM 0 HZ3 LYS A 97 -5.358 -0.699 9.125 1.00 53.53 H new ATOM 1235 N PHE A 98 -5.880 -1.382 3.612 1.00 28.54 N ATOM 1236 CA PHE A 98 -5.314 -0.064 3.372 1.00 32.00 C ATOM 1237 C PHE A 98 -5.679 0.861 4.524 1.00 41.30 C ATOM 1238 O PHE A 98 -6.844 0.926 4.926 1.00 40.71 O ATOM 1239 CB PHE A 98 -5.845 0.523 2.056 1.00 34.75 C ATOM 1240 CG PHE A 98 -5.436 -0.233 0.821 1.00 36.16 C ATOM 1241 CD1 PHE A 98 -5.896 -1.517 0.592 1.00 38.20 C ATOM 1242 CD2 PHE A 98 -4.597 0.349 -0.115 1.00 39.29 C ATOM 1243 CE1 PHE A 98 -5.525 -2.210 -0.542 1.00 37.36 C ATOM 1244 CE2 PHE A 98 -4.222 -0.339 -1.253 1.00 37.59 C ATOM 1245 CZ PHE A 98 -4.688 -1.621 -1.466 1.00 41.72 C ATOM 0 H PHE A 98 -6.762 -1.554 3.129 1.00 28.54 H new ATOM 0 HA PHE A 98 -4.230 -0.157 3.300 1.00 32.00 H new ATOM 0 HB2 PHE A 98 -6.934 0.556 2.102 1.00 34.75 H new ATOM 0 HB3 PHE A 98 -5.498 1.553 1.967 1.00 34.75 H new ATOM 0 HD1 PHE A 98 -6.554 -1.983 1.310 1.00 38.20 H new ATOM 0 HD2 PHE A 98 -4.232 1.352 0.047 1.00 39.29 H new ATOM 0 HE1 PHE A 98 -5.890 -3.213 -0.706 1.00 37.36 H new ATOM 0 HE2 PHE A 98 -3.566 0.125 -1.974 1.00 37.59 H new ATOM 0 HZ PHE A 98 -4.397 -2.162 -2.355 1.00 41.72 H new ATOM 1255 N LYS A 99 -4.693 1.559 5.069 1.00 39.61 N ATOM 1256 CA LYS A 99 -4.950 2.482 6.163 1.00 51.59 C ATOM 1257 C LYS A 99 -5.674 3.702 5.616 1.00 53.57 C ATOM 1258 O LYS A 99 -6.681 4.144 6.167 1.00 58.09 O ATOM 1259 CB LYS A 99 -3.649 2.884 6.865 1.00 54.03 C ATOM 1260 CG LYS A 99 -2.868 1.692 7.399 1.00 57.71 C ATOM 1261 CD LYS A 99 -1.783 2.113 8.377 1.00 58.04 C ATOM 1262 CE LYS A 99 -0.891 0.938 8.743 1.00 58.77 C ATOM 1263 NZ LYS A 99 -0.029 1.232 9.918 1.00 59.82 N ATOM 0 H LYS A 99 -3.718 1.505 4.775 1.00 39.61 H new ATOM 0 HA LYS A 99 -5.577 1.992 6.908 1.00 51.59 H new ATOM 0 HB2 LYS A 99 -3.022 3.438 6.167 1.00 54.03 H new ATOM 0 HB3 LYS A 99 -3.881 3.558 7.690 1.00 54.03 H new ATOM 0 HG2 LYS A 99 -3.552 1.002 7.892 1.00 57.71 H new ATOM 0 HG3 LYS A 99 -2.416 1.152 6.567 1.00 57.71 H new ATOM 0 HD2 LYS A 99 -1.181 2.908 7.937 1.00 58.04 H new ATOM 0 HD3 LYS A 99 -2.240 2.521 9.278 1.00 58.04 H new ATOM 0 HE2 LYS A 99 -1.510 0.067 8.958 1.00 58.77 H new ATOM 0 HE3 LYS A 99 -0.264 0.681 7.890 1.00 58.77 H new ATOM 0 HZ1 LYS A 99 0.688 0.485 10.018 1.00 59.82 H new ATOM 0 HZ2 LYS A 99 0.443 2.149 9.782 1.00 59.82 H new ATOM 0 HZ3 LYS A 99 -0.614 1.268 10.777 1.00 59.82 H new ATOM 1277 N ALA A 100 -5.173 4.215 4.505 1.00 57.45 N ATOM 1278 CA ALA A 100 -5.782 5.356 3.853 1.00 59.65 C ATOM 1279 C ALA A 100 -6.889 4.874 2.927 1.00 62.53 C ATOM 1280 O ALA A 100 -6.657 4.031 2.063 1.00 66.68 O ATOM 1281 CB ALA A 100 -4.741 6.150 3.082 1.00 58.23 C ATOM 0 H ALA A 100 -4.342 3.855 4.036 1.00 57.45 H new ATOM 0 HA ALA A 100 -6.210 6.016 4.608 1.00 59.65 H new ATOM 0 HB1 ALA A 100 -5.218 7.003 2.599 1.00 58.23 H new ATOM 0 HB2 ALA A 100 -3.972 6.505 3.768 1.00 58.23 H new ATOM 0 HB3 ALA A 100 -4.285 5.513 2.324 1.00 58.23 H new ATOM 1287 N GLY A 101 -8.092 5.380 3.131 1.00 63.08 N ATOM 1288 CA GLY A 101 -9.217 4.976 2.311 1.00 61.32 C ATOM 1289 C GLY A 101 -9.953 3.790 2.902 1.00 61.66 C ATOM 1290 O GLY A 101 -11.117 3.554 2.582 1.00 64.05 O ATOM 0 H GLY A 101 -8.313 6.066 3.852 1.00 63.08 H new ATOM 0 HA2 GLY A 101 -9.906 5.813 2.203 1.00 61.32 H new ATOM 0 HA3 GLY A 101 -8.864 4.722 1.311 1.00 61.32 H new ATOM 1294 N SER A 102 -9.260 3.048 3.765 1.00 58.97 N ATOM 1295 CA SER A 102 -9.820 1.872 4.428 1.00 58.40 C ATOM 1296 C SER A 102 -10.347 0.847 3.425 1.00 54.28 C ATOM 1297 O SER A 102 -11.474 0.362 3.537 1.00 53.70 O ATOM 1298 CB SER A 102 -10.914 2.290 5.414 1.00 61.16 C ATOM 1299 OG SER A 102 -10.356 3.001 6.509 1.00 65.44 O ATOM 0 H SER A 102 -8.294 3.246 4.024 1.00 58.97 H new ATOM 0 HA SER A 102 -9.016 1.388 4.982 1.00 58.40 H new ATOM 0 HB2 SER A 102 -11.650 2.913 4.906 1.00 61.16 H new ATOM 0 HB3 SER A 102 -11.440 1.407 5.777 1.00 61.16 H new ATOM 0 HG SER A 102 -10.706 3.916 6.518 1.00 65.44 H new ATOM 1305 N LYS A 103 -9.521 0.518 2.445 1.00 42.18 N ATOM 1306 CA LYS A 103 -9.892 -0.462 1.435 1.00 39.27 C ATOM 1307 C LYS A 103 -9.368 -1.833 1.847 1.00 32.13 C ATOM 1308 O LYS A 103 -8.335 -1.929 2.510 1.00 30.46 O ATOM 1309 CB LYS A 103 -9.334 -0.059 0.066 1.00 41.30 C ATOM 1310 CG LYS A 103 -9.852 -0.914 -1.080 1.00 45.61 C ATOM 1311 CD LYS A 103 -9.517 -0.305 -2.432 1.00 48.56 C ATOM 1312 CE LYS A 103 -10.294 -0.986 -3.549 1.00 52.94 C ATOM 1313 NZ LYS A 103 -10.156 -0.276 -4.846 1.00 56.96 N ATOM 0 H LYS A 103 -8.589 0.915 2.327 1.00 42.18 H new ATOM 0 HA LYS A 103 -10.978 -0.504 1.355 1.00 39.27 H new ATOM 0 HB2 LYS A 103 -9.587 0.984 -0.127 1.00 41.30 H new ATOM 0 HB3 LYS A 103 -8.246 -0.124 0.093 1.00 41.30 H new ATOM 0 HG2 LYS A 103 -9.420 -1.912 -1.013 1.00 45.61 H new ATOM 0 HG3 LYS A 103 -10.932 -1.028 -0.990 1.00 45.61 H new ATOM 0 HD2 LYS A 103 -9.748 0.760 -2.421 1.00 48.56 H new ATOM 0 HD3 LYS A 103 -8.447 -0.397 -2.621 1.00 48.56 H new ATOM 0 HE2 LYS A 103 -9.943 -2.012 -3.660 1.00 52.94 H new ATOM 0 HE3 LYS A 103 -11.348 -1.038 -3.276 1.00 52.94 H new ATOM 0 HZ1 LYS A 103 -10.702 -0.777 -5.576 1.00 56.96 H new ATOM 0 HZ2 LYS A 103 -10.515 0.695 -4.750 1.00 56.96 H new ATOM 0 HZ3 LYS A 103 -9.154 -0.249 -5.122 1.00 56.96 H new ATOM 1327 N ARG A 104 -10.084 -2.887 1.486 1.00 31.79 N ATOM 1328 CA ARG A 104 -9.668 -4.237 1.836 1.00 29.38 C ATOM 1329 C ARG A 104 -9.692 -5.155 0.621 1.00 27.45 C ATOM 1330 O ARG A 104 -10.758 -5.471 0.091 1.00 30.91 O ATOM 1331 CB ARG A 104 -10.569 -4.820 2.930 1.00 29.71 C ATOM 1332 CG ARG A 104 -10.298 -4.266 4.319 1.00 34.22 C ATOM 1333 CD ARG A 104 -11.221 -3.104 4.650 1.00 37.47 C ATOM 1334 NE ARG A 104 -11.198 -2.782 6.077 1.00 40.87 N ATOM 1335 CZ ARG A 104 -11.840 -1.748 6.621 1.00 41.17 C ATOM 1336 NH1 ARG A 104 -12.548 -0.924 5.858 1.00 43.44 N ATOM 1337 NH2 ARG A 104 -11.775 -1.536 7.930 1.00 45.95 N ATOM 0 H ARG A 104 -10.952 -2.835 0.953 1.00 31.79 H new ATOM 0 HA ARG A 104 -8.646 -4.173 2.209 1.00 29.38 H new ATOM 0 HB2 ARG A 104 -11.610 -4.626 2.670 1.00 29.71 H new ATOM 0 HB3 ARG A 104 -10.442 -5.902 2.951 1.00 29.71 H new ATOM 0 HG2 ARG A 104 -10.428 -5.056 5.058 1.00 34.22 H new ATOM 0 HG3 ARG A 104 -9.261 -3.937 4.384 1.00 34.22 H new ATOM 0 HD2 ARG A 104 -10.923 -2.228 4.075 1.00 37.47 H new ATOM 0 HD3 ARG A 104 -12.239 -3.351 4.349 1.00 37.47 H new ATOM 0 HE ARG A 104 -10.657 -3.387 6.695 1.00 40.87 H new ATOM 0 HH11 ARG A 104 -12.602 -1.081 4.852 1.00 43.44 H new ATOM 0 HH12 ARG A 104 -13.038 -0.134 6.278 1.00 43.44 H new ATOM 0 HH21 ARG A 104 -11.233 -2.165 8.522 1.00 45.95 H new ATOM 0 HH22 ARG A 104 -12.267 -0.744 8.343 1.00 45.95 H new ATOM 1351 N LEU A 105 -8.514 -5.568 0.179 1.00 23.75 N ATOM 1352 CA LEU A 105 -8.398 -6.472 -0.959 1.00 24.35 C ATOM 1353 C LEU A 105 -8.141 -7.885 -0.455 1.00 24.13 C ATOM 1354 O LEU A 105 -7.508 -8.064 0.584 1.00 23.73 O ATOM 1355 CB LEU A 105 -7.267 -6.037 -1.895 1.00 25.87 C ATOM 1356 CG LEU A 105 -7.472 -4.691 -2.596 1.00 32.66 C ATOM 1357 CD1 LEU A 105 -6.284 -4.374 -3.486 1.00 35.05 C ATOM 1358 CD2 LEU A 105 -8.757 -4.691 -3.410 1.00 35.88 C ATOM 0 H LEU A 105 -7.622 -5.292 0.591 1.00 23.75 H new ATOM 0 HA LEU A 105 -9.331 -6.445 -1.523 1.00 24.35 H new ATOM 0 HB2 LEU A 105 -6.342 -5.991 -1.321 1.00 25.87 H new ATOM 0 HB3 LEU A 105 -7.132 -6.806 -2.656 1.00 25.87 H new ATOM 0 HG LEU A 105 -7.555 -3.919 -1.831 1.00 32.66 H new ATOM 0 HD11 LEU A 105 -6.444 -3.414 -3.978 1.00 35.05 H new ATOM 0 HD12 LEU A 105 -5.379 -4.325 -2.881 1.00 35.05 H new ATOM 0 HD13 LEU A 105 -6.175 -5.154 -4.239 1.00 35.05 H new ATOM 0 HD21 LEU A 105 -8.879 -3.724 -3.898 1.00 35.88 H new ATOM 0 HD22 LEU A 105 -8.709 -5.475 -4.166 1.00 35.88 H new ATOM 0 HD23 LEU A 105 -9.605 -4.874 -2.751 1.00 35.88 H new ATOM 1370 N PHE A 106 -8.624 -8.883 -1.178 1.00 21.94 N ATOM 1371 CA PHE A 106 -8.441 -10.267 -0.765 1.00 21.33 C ATOM 1372 C PHE A 106 -7.666 -11.059 -1.810 1.00 21.73 C ATOM 1373 O PHE A 106 -7.868 -10.886 -3.012 1.00 21.19 O ATOM 1374 CB PHE A 106 -9.796 -10.931 -0.506 1.00 22.93 C ATOM 1375 CG PHE A 106 -10.506 -10.415 0.717 1.00 22.29 C ATOM 1376 CD1 PHE A 106 -11.322 -9.297 0.644 1.00 24.62 C ATOM 1377 CD2 PHE A 106 -10.355 -11.052 1.937 1.00 23.36 C ATOM 1378 CE1 PHE A 106 -11.974 -8.823 1.767 1.00 25.44 C ATOM 1379 CE2 PHE A 106 -11.005 -10.583 3.063 1.00 24.37 C ATOM 1380 CZ PHE A 106 -11.814 -9.468 2.978 1.00 26.43 C ATOM 0 H PHE A 106 -9.142 -8.763 -2.048 1.00 21.94 H new ATOM 0 HA PHE A 106 -7.862 -10.263 0.159 1.00 21.33 H new ATOM 0 HB2 PHE A 106 -10.435 -10.780 -1.376 1.00 22.93 H new ATOM 0 HB3 PHE A 106 -9.648 -12.006 -0.402 1.00 22.93 H new ATOM 0 HD1 PHE A 106 -11.450 -8.790 -0.301 1.00 24.62 H new ATOM 0 HD2 PHE A 106 -9.723 -11.925 2.010 1.00 23.36 H new ATOM 0 HE1 PHE A 106 -12.607 -7.951 1.698 1.00 25.44 H new ATOM 0 HE2 PHE A 106 -10.880 -11.089 4.009 1.00 24.37 H new ATOM 0 HZ PHE A 106 -12.321 -9.100 3.858 1.00 26.43 H new ATOM 1390 N PHE A 107 -6.770 -11.915 -1.338 1.00 22.09 N ATOM 1391 CA PHE A 107 -5.952 -12.754 -2.208 1.00 20.70 C ATOM 1392 C PHE A 107 -5.832 -14.148 -1.606 1.00 23.14 C ATOM 1393 O PHE A 107 -5.831 -14.296 -0.386 1.00 23.83 O ATOM 1394 CB PHE A 107 -4.547 -12.158 -2.376 1.00 22.84 C ATOM 1395 CG PHE A 107 -4.523 -10.761 -2.932 1.00 24.08 C ATOM 1396 CD1 PHE A 107 -4.516 -10.546 -4.299 1.00 23.22 C ATOM 1397 CD2 PHE A 107 -4.499 -9.663 -2.084 1.00 23.74 C ATOM 1398 CE1 PHE A 107 -4.487 -9.264 -4.813 1.00 24.41 C ATOM 1399 CE2 PHE A 107 -4.472 -8.379 -2.593 1.00 23.14 C ATOM 1400 CZ PHE A 107 -4.466 -8.179 -3.959 1.00 23.57 C ATOM 0 H PHE A 107 -6.589 -12.048 -0.343 1.00 22.09 H new ATOM 0 HA PHE A 107 -6.432 -12.807 -3.185 1.00 20.70 H new ATOM 0 HB2 PHE A 107 -4.048 -12.158 -1.407 1.00 22.84 H new ATOM 0 HB3 PHE A 107 -3.967 -12.807 -3.033 1.00 22.84 H new ATOM 0 HD1 PHE A 107 -4.533 -11.390 -4.972 1.00 23.22 H new ATOM 0 HD2 PHE A 107 -4.501 -9.814 -1.015 1.00 23.74 H new ATOM 0 HE1 PHE A 107 -4.481 -9.110 -5.882 1.00 24.41 H new ATOM 0 HE2 PHE A 107 -4.456 -7.532 -1.923 1.00 23.14 H new ATOM 0 HZ PHE A 107 -4.445 -7.176 -4.359 1.00 23.57 H new ATOM 1410 N TRP A 108 -5.746 -15.170 -2.445 1.00 23.10 N ATOM 1411 CA TRP A 108 -5.604 -16.531 -1.949 1.00 21.46 C ATOM 1412 C TRP A 108 -4.341 -17.173 -2.517 1.00 22.39 C ATOM 1413 O TRP A 108 -4.126 -17.186 -3.730 1.00 23.19 O ATOM 1414 CB TRP A 108 -6.858 -17.379 -2.241 1.00 25.96 C ATOM 1415 CG TRP A 108 -7.180 -17.582 -3.695 1.00 24.14 C ATOM 1416 CD1 TRP A 108 -7.793 -16.694 -4.534 1.00 25.63 C ATOM 1417 CD2 TRP A 108 -6.938 -18.766 -4.467 1.00 26.30 C ATOM 1418 NE1 TRP A 108 -7.939 -17.251 -5.782 1.00 26.49 N ATOM 1419 CE2 TRP A 108 -7.419 -18.522 -5.766 1.00 25.85 C ATOM 1420 CE3 TRP A 108 -6.357 -20.010 -4.185 1.00 27.47 C ATOM 1421 CZ2 TRP A 108 -7.336 -19.472 -6.782 1.00 28.46 C ATOM 1422 CZ3 TRP A 108 -6.275 -20.951 -5.197 1.00 29.27 C ATOM 1423 CH2 TRP A 108 -6.763 -20.677 -6.480 1.00 28.29 C ATOM 0 H TRP A 108 -5.772 -15.085 -3.461 1.00 23.10 H new ATOM 0 HA TRP A 108 -5.504 -16.488 -0.864 1.00 21.46 H new ATOM 0 HB2 TRP A 108 -6.730 -18.356 -1.776 1.00 25.96 H new ATOM 0 HB3 TRP A 108 -7.714 -16.906 -1.760 1.00 25.96 H new ATOM 0 HD1 TRP A 108 -8.115 -15.701 -4.257 1.00 25.63 H new ATOM 0 HE1 TRP A 108 -8.364 -16.795 -6.589 1.00 26.49 H new ATOM 0 HE3 TRP A 108 -5.980 -20.230 -3.197 1.00 27.47 H new ATOM 0 HZ2 TRP A 108 -7.711 -19.264 -7.773 1.00 28.46 H new ATOM 0 HZ3 TRP A 108 -5.827 -21.912 -4.993 1.00 29.27 H new ATOM 0 HH2 TRP A 108 -6.686 -21.433 -7.248 1.00 28.29 H new ATOM 1434 N MET A 109 -3.497 -17.672 -1.621 1.00 22.47 N ATOM 1435 CA MET A 109 -2.231 -18.296 -2.001 1.00 22.63 C ATOM 1436 C MET A 109 -2.449 -19.545 -2.850 1.00 23.51 C ATOM 1437 O MET A 109 -3.238 -20.424 -2.497 1.00 25.87 O ATOM 1438 CB MET A 109 -1.413 -18.660 -0.756 1.00 22.83 C ATOM 1439 CG MET A 109 -0.973 -17.460 0.069 1.00 24.26 C ATOM 1440 SD MET A 109 0.240 -16.428 -0.781 1.00 28.54 S ATOM 1441 CE MET A 109 0.475 -15.128 0.430 1.00 27.29 C ATOM 0 H MET A 109 -3.668 -17.657 -0.616 1.00 22.47 H new ATOM 0 HA MET A 109 -1.681 -17.568 -2.597 1.00 22.63 H new ATOM 0 HB2 MET A 109 -2.006 -19.323 -0.126 1.00 22.83 H new ATOM 0 HB3 MET A 109 -0.530 -19.219 -1.065 1.00 22.83 H new ATOM 0 HG2 MET A 109 -1.846 -16.856 0.317 1.00 24.26 H new ATOM 0 HG3 MET A 109 -0.549 -17.809 1.011 1.00 24.26 H new ATOM 0 HE1 MET A 109 1.200 -14.406 0.053 1.00 27.29 H new ATOM 0 HE2 MET A 109 -0.475 -14.626 0.614 1.00 27.29 H new ATOM 0 HE3 MET A 109 0.843 -15.560 1.361 1.00 27.29 H new ATOM 1451 N GLN A 110 -1.740 -19.614 -3.971 1.00 23.09 N ATOM 1452 CA GLN A 110 -1.830 -20.759 -4.867 1.00 24.00 C ATOM 1453 C GLN A 110 -0.629 -21.675 -4.657 1.00 32.58 C ATOM 1454 O GLN A 110 -0.292 -22.497 -5.511 1.00 41.60 O ATOM 1455 CB GLN A 110 -1.907 -20.297 -6.325 1.00 22.67 C ATOM 1456 CG GLN A 110 -3.229 -19.632 -6.677 1.00 25.04 C ATOM 1457 CD GLN A 110 -3.274 -19.121 -8.106 1.00 22.04 C ATOM 1458 OE1 GLN A 110 -2.257 -18.718 -8.673 1.00 24.50 O ATOM 1459 NE2 GLN A 110 -4.458 -19.136 -8.700 1.00 24.22 N ATOM 0 H GLN A 110 -1.095 -18.887 -4.281 1.00 23.09 H new ATOM 0 HA GLN A 110 -2.740 -21.314 -4.640 1.00 24.00 H new ATOM 0 HB2 GLN A 110 -1.094 -19.598 -6.521 1.00 22.67 H new ATOM 0 HB3 GLN A 110 -1.755 -21.155 -6.979 1.00 22.67 H new ATOM 0 HG2 GLN A 110 -4.040 -20.345 -6.526 1.00 25.04 H new ATOM 0 HG3 GLN A 110 -3.405 -18.801 -5.994 1.00 25.04 H new ATOM 0 HE21 GLN A 110 -5.277 -19.477 -8.197 1.00 24.22 H new ATOM 0 HE22 GLN A 110 -4.551 -18.806 -9.661 1.00 24.22 H new ATOM 1468 N GLU A 111 0.014 -21.516 -3.506 1.00 34.19 N ATOM 1469 CA GLU A 111 1.175 -22.318 -3.149 1.00 41.70 C ATOM 1470 C GLU A 111 0.730 -23.679 -2.625 1.00 40.45 C ATOM 1471 O GLU A 111 -0.203 -23.766 -1.823 1.00 39.75 O ATOM 1472 CB GLU A 111 2.010 -21.596 -2.086 1.00 41.38 C ATOM 1473 CG GLU A 111 2.619 -20.290 -2.574 1.00 49.79 C ATOM 1474 CD GLU A 111 3.940 -20.488 -3.292 1.00 48.44 C ATOM 1475 OE1 GLU A 111 4.090 -21.491 -4.016 1.00 32.00 O ATOM 1476 OE2 GLU A 111 4.842 -19.637 -3.135 1.00 43.83 O ATOM 0 H GLU A 111 -0.254 -20.832 -2.799 1.00 34.19 H new ATOM 0 HA GLU A 111 1.787 -22.464 -4.039 1.00 41.70 H new ATOM 0 HB2 GLU A 111 1.382 -21.393 -1.219 1.00 41.38 H new ATOM 0 HB3 GLU A 111 2.809 -22.258 -1.752 1.00 41.38 H new ATOM 0 HG2 GLU A 111 1.917 -19.796 -3.245 1.00 49.79 H new ATOM 0 HG3 GLU A 111 2.769 -19.625 -1.724 1.00 49.79 H new ATOM 1483 N PRO A 112 1.390 -24.758 -3.069 1.00 48.55 N ATOM 1484 CA PRO A 112 1.053 -26.120 -2.640 1.00 46.93 C ATOM 1485 C PRO A 112 1.357 -26.357 -1.163 1.00 45.48 C ATOM 1486 O PRO A 112 0.749 -27.212 -0.519 1.00 48.59 O ATOM 1487 CB PRO A 112 1.940 -27.007 -3.520 1.00 49.91 C ATOM 1488 CG PRO A 112 3.074 -26.131 -3.928 1.00 50.19 C ATOM 1489 CD PRO A 112 2.508 -24.741 -4.032 1.00 49.44 C ATOM 0 HA PRO A 112 -0.012 -26.325 -2.747 1.00 46.93 H new ATOM 0 HB2 PRO A 112 2.293 -27.880 -2.972 1.00 49.91 H new ATOM 0 HB3 PRO A 112 1.393 -27.375 -4.388 1.00 49.91 H new ATOM 0 HG2 PRO A 112 3.880 -26.170 -3.196 1.00 50.19 H new ATOM 0 HG3 PRO A 112 3.493 -26.454 -4.881 1.00 50.19 H new ATOM 0 HD2 PRO A 112 3.249 -23.984 -3.775 1.00 49.44 H new ATOM 0 HD3 PRO A 112 2.165 -24.521 -5.043 1.00 49.44 H new ATOM 1497 N LYS A 113 2.292 -25.590 -0.624 1.00 45.43 N ATOM 1498 CA LYS A 113 2.676 -25.725 0.770 1.00 45.69 C ATOM 1499 C LYS A 113 2.427 -24.429 1.526 1.00 44.46 C ATOM 1500 O LYS A 113 2.677 -23.340 1.010 1.00 42.11 O ATOM 1501 CB LYS A 113 4.152 -26.118 0.888 1.00 48.90 C ATOM 1502 CG LYS A 113 4.479 -27.474 0.284 1.00 48.99 C ATOM 1503 CD LYS A 113 5.835 -27.976 0.752 1.00 65.37 C ATOM 1504 CE LYS A 113 6.251 -29.228 0.004 1.00 71.52 C ATOM 1505 NZ LYS A 113 7.329 -29.965 0.712 1.00 69.62 N ATOM 0 H LYS A 113 2.799 -24.866 -1.133 1.00 45.43 H new ATOM 0 HA LYS A 113 2.064 -26.512 1.211 1.00 45.69 H new ATOM 0 HB2 LYS A 113 4.761 -25.357 0.399 1.00 48.90 H new ATOM 0 HB3 LYS A 113 4.433 -26.123 1.941 1.00 48.90 H new ATOM 0 HG2 LYS A 113 3.708 -28.193 0.561 1.00 48.99 H new ATOM 0 HG3 LYS A 113 4.472 -27.401 -0.804 1.00 48.99 H new ATOM 0 HD2 LYS A 113 6.583 -27.197 0.605 1.00 65.37 H new ATOM 0 HD3 LYS A 113 5.798 -28.185 1.821 1.00 65.37 H new ATOM 0 HE2 LYS A 113 5.387 -29.880 -0.120 1.00 71.52 H new ATOM 0 HE3 LYS A 113 6.592 -28.957 -0.995 1.00 71.52 H new ATOM 0 HZ1 LYS A 113 7.584 -30.814 0.168 1.00 69.62 H new ATOM 0 HZ2 LYS A 113 8.163 -29.352 0.808 1.00 69.62 H new ATOM 0 HZ3 LYS A 113 6.995 -30.246 1.656 1.00 69.62 H new ATOM 1519 N THR A 114 1.947 -24.559 2.756 1.00 40.64 N ATOM 1520 CA THR A 114 1.666 -23.409 3.603 1.00 36.42 C ATOM 1521 C THR A 114 2.947 -22.929 4.278 1.00 31.64 C ATOM 1522 O THR A 114 2.951 -21.965 5.044 1.00 32.89 O ATOM 1523 CB THR A 114 0.639 -23.777 4.684 1.00 39.21 C ATOM 1524 OG1 THR A 114 0.903 -25.101 5.168 1.00 43.02 O ATOM 1525 CG2 THR A 114 -0.777 -23.712 4.141 1.00 38.60 C ATOM 0 H THR A 114 1.743 -25.458 3.192 1.00 40.64 H new ATOM 0 HA THR A 114 1.261 -22.615 2.976 1.00 36.42 H new ATOM 0 HB THR A 114 0.729 -23.057 5.498 1.00 39.21 H new ATOM 0 HG1 THR A 114 0.248 -25.333 5.859 1.00 43.02 H new ATOM 0 HG21 THR A 114 -1.481 -23.978 4.929 1.00 38.60 H new ATOM 0 HG22 THR A 114 -0.987 -22.701 3.792 1.00 38.60 H new ATOM 0 HG23 THR A 114 -0.881 -24.411 3.311 1.00 38.60 H new ATOM 1533 N ASP A 115 4.034 -23.625 3.969 1.00 30.92 N ATOM 1534 CA ASP A 115 5.352 -23.342 4.526 1.00 38.80 C ATOM 1535 C ASP A 115 5.821 -21.923 4.226 1.00 35.23 C ATOM 1536 O ASP A 115 6.545 -21.327 5.018 1.00 36.70 O ATOM 1537 CB ASP A 115 6.376 -24.333 3.966 1.00 44.02 C ATOM 1538 CG ASP A 115 6.181 -25.745 4.481 1.00 54.03 C ATOM 1539 OD1 ASP A 115 5.113 -26.343 4.217 1.00 54.30 O ATOM 1540 OD2 ASP A 115 7.097 -26.269 5.145 1.00 66.15 O ATOM 0 H ASP A 115 4.026 -24.410 3.318 1.00 30.92 H new ATOM 0 HA ASP A 115 5.269 -23.445 5.608 1.00 38.80 H new ATOM 0 HB2 ASP A 115 6.311 -24.337 2.878 1.00 44.02 H new ATOM 0 HB3 ASP A 115 7.379 -23.994 4.224 1.00 44.02 H new ATOM 1545 N GLN A 116 5.411 -21.381 3.087 1.00 32.65 N ATOM 1546 CA GLN A 116 5.830 -20.039 2.695 1.00 32.85 C ATOM 1547 C GLN A 116 4.679 -19.040 2.738 1.00 25.51 C ATOM 1548 O GLN A 116 4.832 -17.902 2.300 1.00 27.64 O ATOM 1549 CB GLN A 116 6.433 -20.066 1.291 1.00 36.33 C ATOM 1550 CG GLN A 116 7.714 -20.878 1.196 1.00 43.53 C ATOM 1551 CD GLN A 116 8.306 -20.873 -0.200 1.00 46.84 C ATOM 1552 OE1 GLN A 116 8.120 -19.925 -0.962 1.00 54.73 O ATOM 1553 NE2 GLN A 116 9.019 -21.932 -0.546 1.00 50.07 N ATOM 0 H GLN A 116 4.793 -21.845 2.421 1.00 32.65 H new ATOM 0 HA GLN A 116 6.580 -19.712 3.415 1.00 32.85 H new ATOM 0 HB2 GLN A 116 5.700 -20.477 0.597 1.00 36.33 H new ATOM 0 HB3 GLN A 116 6.636 -19.044 0.972 1.00 36.33 H new ATOM 0 HG2 GLN A 116 8.446 -20.479 1.898 1.00 43.53 H new ATOM 0 HG3 GLN A 116 7.511 -21.906 1.497 1.00 43.53 H new ATOM 0 HE21 GLN A 116 9.150 -22.697 0.116 1.00 50.07 H new ATOM 0 HE22 GLN A 116 9.438 -21.983 -1.474 1.00 50.07 H new ATOM 1562 N ASP A 117 3.541 -19.456 3.277 1.00 25.38 N ATOM 1563 CA ASP A 117 2.369 -18.580 3.357 1.00 24.59 C ATOM 1564 C ASP A 117 2.682 -17.306 4.133 1.00 23.14 C ATOM 1565 O ASP A 117 2.693 -16.207 3.569 1.00 23.30 O ATOM 1566 CB ASP A 117 1.191 -19.312 4.002 1.00 24.94 C ATOM 1567 CG ASP A 117 0.275 -19.946 2.976 1.00 26.91 C ATOM 1568 OD1 ASP A 117 0.785 -20.491 1.975 1.00 27.07 O ATOM 1569 OD2 ASP A 117 -0.956 -19.914 3.168 1.00 29.31 O ATOM 0 H ASP A 117 3.400 -20.389 3.665 1.00 25.38 H new ATOM 0 HA ASP A 117 2.096 -18.301 2.339 1.00 24.59 H new ATOM 0 HB2 ASP A 117 1.569 -20.083 4.673 1.00 24.94 H new ATOM 0 HB3 ASP A 117 0.620 -18.611 4.611 1.00 24.94 H new ATOM 1574 N GLU A 118 2.972 -17.460 5.418 1.00 27.03 N ATOM 1575 CA GLU A 118 3.284 -16.319 6.271 1.00 26.55 C ATOM 1576 C GLU A 118 4.583 -15.648 5.833 1.00 23.71 C ATOM 1577 O GLU A 118 4.744 -14.437 5.984 1.00 25.11 O ATOM 1578 CB GLU A 118 3.375 -16.753 7.733 1.00 32.75 C ATOM 1579 CG GLU A 118 2.019 -17.004 8.375 1.00 36.67 C ATOM 1580 CD GLU A 118 1.303 -15.723 8.763 1.00 51.49 C ATOM 1581 OE1 GLU A 118 1.659 -15.130 9.805 1.00 61.12 O ATOM 1582 OE2 GLU A 118 0.368 -15.308 8.042 1.00 49.04 O ATOM 0 H GLU A 118 2.998 -18.362 5.893 1.00 27.03 H new ATOM 0 HA GLU A 118 2.477 -15.593 6.172 1.00 26.55 H new ATOM 0 HB2 GLU A 118 3.973 -17.662 7.798 1.00 32.75 H new ATOM 0 HB3 GLU A 118 3.900 -15.985 8.300 1.00 32.75 H new ATOM 0 HG2 GLU A 118 1.394 -17.568 7.683 1.00 36.67 H new ATOM 0 HG3 GLU A 118 2.152 -17.623 9.262 1.00 36.67 H new ATOM 1589 N GLU A 119 5.500 -16.437 5.277 1.00 24.14 N ATOM 1590 CA GLU A 119 6.776 -15.910 4.804 1.00 26.98 C ATOM 1591 C GLU A 119 6.533 -14.876 3.708 1.00 25.13 C ATOM 1592 O GLU A 119 7.163 -13.815 3.687 1.00 27.83 O ATOM 1593 CB GLU A 119 7.672 -17.040 4.285 1.00 28.20 C ATOM 1594 CG GLU A 119 9.093 -16.597 3.949 1.00 27.24 C ATOM 1595 CD GLU A 119 9.851 -16.054 5.148 1.00 28.47 C ATOM 1596 OE1 GLU A 119 9.639 -16.554 6.270 1.00 27.86 O ATOM 1597 OE2 GLU A 119 10.671 -15.122 4.975 1.00 30.36 O ATOM 0 H GLU A 119 5.383 -17.441 5.144 1.00 24.14 H new ATOM 0 HA GLU A 119 7.287 -15.430 5.639 1.00 26.98 H new ATOM 0 HB2 GLU A 119 7.716 -17.830 5.035 1.00 28.20 H new ATOM 0 HB3 GLU A 119 7.216 -17.472 3.394 1.00 28.20 H new ATOM 0 HG2 GLU A 119 9.641 -17.442 3.533 1.00 27.24 H new ATOM 0 HG3 GLU A 119 9.054 -15.831 3.175 1.00 27.24 H new ATOM 1604 N HIS A 120 5.599 -15.183 2.810 1.00 21.73 N ATOM 1605 CA HIS A 120 5.249 -14.271 1.727 1.00 22.27 C ATOM 1606 C HIS A 120 4.650 -12.999 2.311 1.00 22.52 C ATOM 1607 O HIS A 120 4.987 -11.894 1.898 1.00 24.30 O ATOM 1608 CB HIS A 120 4.244 -14.910 0.760 1.00 22.36 C ATOM 1609 CG HIS A 120 4.807 -16.008 -0.098 1.00 23.53 C ATOM 1610 ND1 HIS A 120 6.128 -16.066 -0.487 1.00 29.14 N ATOM 1611 CD2 HIS A 120 4.214 -17.101 -0.639 1.00 27.13 C ATOM 1612 CE1 HIS A 120 6.323 -17.142 -1.227 1.00 30.02 C ATOM 1613 NE2 HIS A 120 5.180 -17.787 -1.335 1.00 30.38 N ATOM 0 H HIS A 120 5.072 -16.056 2.812 1.00 21.73 H new ATOM 0 HA HIS A 120 6.157 -14.039 1.170 1.00 22.27 H new ATOM 0 HB2 HIS A 120 3.410 -15.310 1.337 1.00 22.36 H new ATOM 0 HB3 HIS A 120 3.840 -14.132 0.112 1.00 22.36 H new ATOM 0 HD2 HIS A 120 3.175 -17.380 -0.541 1.00 27.13 H new ATOM 0 HE1 HIS A 120 7.261 -17.442 -1.669 1.00 30.02 H new ATOM 0 HE2 HIS A 120 5.035 -18.655 -1.851 1.00 30.38 H new ATOM 1622 N CYS A 121 3.772 -13.179 3.292 1.00 21.37 N ATOM 1623 CA CYS A 121 3.107 -12.065 3.955 1.00 22.64 C ATOM 1624 C CYS A 121 4.118 -11.124 4.605 1.00 24.68 C ATOM 1625 O CYS A 121 4.031 -9.903 4.449 1.00 24.70 O ATOM 1626 CB CYS A 121 2.141 -12.596 5.014 1.00 26.11 C ATOM 1627 SG CYS A 121 1.149 -11.321 5.829 1.00 28.52 S ATOM 0 H CYS A 121 3.503 -14.096 3.648 1.00 21.37 H new ATOM 0 HA CYS A 121 2.555 -11.503 3.202 1.00 22.64 H new ATOM 0 HB2 CYS A 121 1.470 -13.317 4.547 1.00 26.11 H new ATOM 0 HB3 CYS A 121 2.711 -13.134 5.771 1.00 26.11 H new ATOM 0 HG CYS A 121 0.551 -10.596 4.931 1.00 28.52 H new ATOM 1633 N ARG A 122 5.072 -11.702 5.330 1.00 25.35 N ATOM 1634 CA ARG A 122 6.100 -10.925 6.010 1.00 25.95 C ATOM 1635 C ARG A 122 6.918 -10.115 5.007 1.00 23.36 C ATOM 1636 O ARG A 122 7.157 -8.924 5.213 1.00 26.33 O ATOM 1637 CB ARG A 122 7.011 -11.844 6.833 1.00 27.25 C ATOM 1638 CG ARG A 122 6.308 -12.478 8.023 1.00 37.10 C ATOM 1639 CD ARG A 122 7.265 -13.280 8.897 1.00 28.22 C ATOM 1640 NE ARG A 122 7.688 -14.531 8.264 1.00 35.74 N ATOM 1641 CZ ARG A 122 7.183 -15.727 8.558 1.00 30.48 C ATOM 1642 NH1 ARG A 122 6.200 -15.841 9.443 1.00 31.71 N ATOM 1643 NH2 ARG A 122 7.657 -16.813 7.963 1.00 40.70 N ATOM 0 H ARG A 122 5.153 -12.710 5.461 1.00 25.35 H new ATOM 0 HA ARG A 122 5.609 -10.228 6.689 1.00 25.95 H new ATOM 0 HB2 ARG A 122 7.400 -12.632 6.188 1.00 27.25 H new ATOM 0 HB3 ARG A 122 7.868 -11.271 7.189 1.00 27.25 H new ATOM 0 HG2 ARG A 122 5.838 -11.699 8.623 1.00 37.10 H new ATOM 0 HG3 ARG A 122 5.511 -13.130 7.667 1.00 37.10 H new ATOM 0 HD2 ARG A 122 8.143 -12.674 9.119 1.00 28.22 H new ATOM 0 HD3 ARG A 122 6.782 -13.503 9.849 1.00 28.22 H new ATOM 0 HE ARG A 122 8.417 -14.483 7.552 1.00 35.74 H new ATOM 0 HH11 ARG A 122 5.828 -15.009 9.902 1.00 31.71 H new ATOM 0 HH12 ARG A 122 5.817 -16.760 9.664 1.00 31.71 H new ATOM 0 HH21 ARG A 122 8.409 -16.733 7.279 1.00 40.70 H new ATOM 0 HH22 ARG A 122 7.269 -17.729 8.189 1.00 40.70 H new ATOM 1657 N LYS A 123 7.314 -10.759 3.914 1.00 22.81 N ATOM 1658 CA LYS A 123 8.098 -10.098 2.872 1.00 24.60 C ATOM 1659 C LYS A 123 7.321 -8.944 2.251 1.00 24.94 C ATOM 1660 O LYS A 123 7.883 -7.880 1.970 1.00 25.77 O ATOM 1661 CB LYS A 123 8.495 -11.094 1.782 1.00 27.36 C ATOM 1662 CG LYS A 123 9.796 -11.821 2.064 1.00 28.78 C ATOM 1663 CD LYS A 123 10.364 -12.441 0.799 1.00 35.71 C ATOM 1664 CE LYS A 123 11.771 -12.975 1.014 1.00 44.84 C ATOM 1665 NZ LYS A 123 12.714 -11.908 1.445 1.00 55.57 N ATOM 0 H LYS A 123 7.105 -11.739 3.725 1.00 22.81 H new ATOM 0 HA LYS A 123 8.999 -9.701 3.339 1.00 24.60 H new ATOM 0 HB2 LYS A 123 7.697 -11.828 1.665 1.00 27.36 H new ATOM 0 HB3 LYS A 123 8.583 -10.565 0.833 1.00 27.36 H new ATOM 0 HG2 LYS A 123 10.520 -11.125 2.488 1.00 28.78 H new ATOM 0 HG3 LYS A 123 9.627 -12.598 2.809 1.00 28.78 H new ATOM 0 HD2 LYS A 123 9.714 -13.251 0.468 1.00 35.71 H new ATOM 0 HD3 LYS A 123 10.376 -11.697 0.003 1.00 35.71 H new ATOM 0 HE2 LYS A 123 11.748 -13.764 1.766 1.00 44.84 H new ATOM 0 HE3 LYS A 123 12.132 -13.426 0.090 1.00 44.84 H new ATOM 0 HZ1 LYS A 123 13.690 -12.204 1.242 1.00 55.57 H new ATOM 0 HZ2 LYS A 123 12.504 -11.030 0.929 1.00 55.57 H new ATOM 0 HZ3 LYS A 123 12.608 -11.743 2.466 1.00 55.57 H new ATOM 1679 N VAL A 124 6.029 -9.163 2.040 1.00 23.64 N ATOM 1680 CA VAL A 124 5.159 -8.152 1.459 1.00 22.10 C ATOM 1681 C VAL A 124 5.063 -6.929 2.365 1.00 22.85 C ATOM 1682 O VAL A 124 5.292 -5.801 1.927 1.00 24.21 O ATOM 1683 CB VAL A 124 3.740 -8.714 1.199 1.00 22.81 C ATOM 1684 CG1 VAL A 124 2.752 -7.601 0.885 1.00 23.59 C ATOM 1685 CG2 VAL A 124 3.766 -9.725 0.065 1.00 24.46 C ATOM 0 H VAL A 124 5.559 -10.040 2.265 1.00 23.64 H new ATOM 0 HA VAL A 124 5.599 -7.857 0.507 1.00 22.10 H new ATOM 0 HB VAL A 124 3.410 -9.213 2.110 1.00 22.81 H new ATOM 0 HG11 VAL A 124 1.766 -8.029 0.708 1.00 23.59 H new ATOM 0 HG12 VAL A 124 2.702 -6.911 1.727 1.00 23.59 H new ATOM 0 HG13 VAL A 124 3.080 -7.064 -0.005 1.00 23.59 H new ATOM 0 HG21 VAL A 124 2.760 -10.109 -0.103 1.00 24.46 H new ATOM 0 HG22 VAL A 124 4.127 -9.243 -0.844 1.00 24.46 H new ATOM 0 HG23 VAL A 124 4.430 -10.549 0.327 1.00 24.46 H new ATOM 1695 N ASN A 125 4.757 -7.164 3.637 1.00 23.90 N ATOM 1696 CA ASN A 125 4.613 -6.079 4.603 1.00 25.34 C ATOM 1697 C ASN A 125 5.895 -5.265 4.724 1.00 27.59 C ATOM 1698 O ASN A 125 5.845 -4.042 4.822 1.00 26.42 O ATOM 1699 CB ASN A 125 4.218 -6.615 5.975 1.00 25.30 C ATOM 1700 CG ASN A 125 3.061 -5.842 6.578 1.00 26.31 C ATOM 1701 OD1 ASN A 125 1.911 -6.264 6.491 1.00 30.74 O ATOM 1702 ND2 ASN A 125 3.351 -4.701 7.178 1.00 26.69 N ATOM 0 H ASN A 125 4.604 -8.095 4.023 1.00 23.90 H new ATOM 0 HA ASN A 125 3.821 -5.427 4.234 1.00 25.34 H new ATOM 0 HB2 ASN A 125 3.945 -7.667 5.888 1.00 25.30 H new ATOM 0 HB3 ASN A 125 5.076 -6.563 6.645 1.00 25.30 H new ATOM 0 HD21 ASN A 125 2.607 -4.137 7.589 1.00 26.69 H new ATOM 0 HD22 ASN A 125 4.319 -4.384 7.230 1.00 26.69 H new ATOM 1709 N GLU A 126 7.039 -5.944 4.705 1.00 26.42 N ATOM 1710 CA GLU A 126 8.326 -5.267 4.808 1.00 28.43 C ATOM 1711 C GLU A 126 8.491 -4.245 3.688 1.00 31.22 C ATOM 1712 O GLU A 126 9.057 -3.173 3.893 1.00 33.04 O ATOM 1713 CB GLU A 126 9.477 -6.273 4.768 1.00 30.84 C ATOM 1714 CG GLU A 126 9.616 -7.090 6.040 1.00 32.00 C ATOM 1715 CD GLU A 126 10.962 -7.771 6.154 1.00 38.76 C ATOM 1716 OE1 GLU A 126 11.625 -7.983 5.116 1.00 35.92 O ATOM 1717 OE2 GLU A 126 11.372 -8.098 7.286 1.00 44.64 O ATOM 0 H GLU A 126 7.100 -6.959 4.620 1.00 26.42 H new ATOM 0 HA GLU A 126 8.351 -4.746 5.765 1.00 28.43 H new ATOM 0 HB2 GLU A 126 9.328 -6.949 3.926 1.00 30.84 H new ATOM 0 HB3 GLU A 126 10.409 -5.738 4.586 1.00 30.84 H new ATOM 0 HG2 GLU A 126 9.469 -6.440 6.902 1.00 32.00 H new ATOM 0 HG3 GLU A 126 8.829 -7.843 6.071 1.00 32.00 H new ATOM 1724 N CYS A 127 7.978 -4.577 2.512 1.00 27.47 N ATOM 1725 CA CYS A 127 8.059 -3.682 1.369 1.00 28.50 C ATOM 1726 C CYS A 127 7.094 -2.515 1.541 1.00 30.91 C ATOM 1727 O CYS A 127 7.448 -1.369 1.281 1.00 35.43 O ATOM 1728 CB CYS A 127 7.758 -4.435 0.076 1.00 31.38 C ATOM 1729 SG CYS A 127 8.898 -5.797 -0.255 1.00 46.40 S ATOM 0 H CYS A 127 7.502 -5.459 2.325 1.00 27.47 H new ATOM 0 HA CYS A 127 9.074 -3.289 1.310 1.00 28.50 H new ATOM 0 HB2 CYS A 127 6.742 -4.827 0.123 1.00 31.38 H new ATOM 0 HB3 CYS A 127 7.792 -3.734 -0.758 1.00 31.38 H new ATOM 0 HG CYS A 127 8.640 -6.784 0.550 1.00 46.40 H new ATOM 1735 N LEU A 128 5.883 -2.809 2.006 1.00 26.38 N ATOM 1736 CA LEU A 128 4.874 -1.773 2.217 1.00 27.69 C ATOM 1737 C LEU A 128 5.333 -0.805 3.305 1.00 35.20 C ATOM 1738 O LEU A 128 4.949 0.366 3.327 1.00 35.19 O ATOM 1739 CB LEU A 128 3.528 -2.392 2.613 1.00 27.68 C ATOM 1740 CG LEU A 128 3.130 -3.662 1.852 1.00 27.47 C ATOM 1741 CD1 LEU A 128 1.825 -4.219 2.396 1.00 27.78 C ATOM 1742 CD2 LEU A 128 3.008 -3.388 0.362 1.00 27.78 C ATOM 0 H LEU A 128 5.576 -3.752 2.243 1.00 26.38 H new ATOM 0 HA LEU A 128 4.746 -1.231 1.280 1.00 27.69 H new ATOM 0 HB2 LEU A 128 3.554 -2.622 3.678 1.00 27.68 H new ATOM 0 HB3 LEU A 128 2.748 -1.644 2.468 1.00 27.68 H new ATOM 0 HG LEU A 128 3.915 -4.404 1.998 1.00 27.47 H new ATOM 0 HD11 LEU A 128 1.556 -5.120 1.845 1.00 27.78 H new ATOM 0 HD12 LEU A 128 1.945 -4.461 3.452 1.00 27.78 H new ATOM 0 HD13 LEU A 128 1.036 -3.475 2.282 1.00 27.78 H new ATOM 0 HD21 LEU A 128 2.725 -4.305 -0.155 1.00 27.78 H new ATOM 0 HD22 LEU A 128 2.247 -2.626 0.193 1.00 27.78 H new ATOM 0 HD23 LEU A 128 3.965 -3.036 -0.023 1.00 27.78 H new ATOM 1754 N ASN A 129 6.147 -1.311 4.217 1.00 31.80 N ATOM 1755 CA ASN A 129 6.680 -0.501 5.297 1.00 41.40 C ATOM 1756 C ASN A 129 7.886 0.291 4.816 1.00 46.78 C ATOM 1757 O ASN A 129 8.043 1.467 5.144 1.00 58.88 O ATOM 1758 CB ASN A 129 7.076 -1.381 6.484 1.00 39.28 C ATOM 1759 CG ASN A 129 5.951 -1.551 7.482 1.00 45.62 C ATOM 1760 OD1 ASN A 129 5.223 -2.543 7.456 1.00 53.22 O ATOM 1761 ND2 ASN A 129 5.803 -0.584 8.372 1.00 37.18 N ATOM 0 H ASN A 129 6.453 -2.284 4.229 1.00 31.80 H new ATOM 0 HA ASN A 129 5.904 0.193 5.619 1.00 41.40 H new ATOM 0 HB2 ASN A 129 7.384 -2.361 6.119 1.00 39.28 H new ATOM 0 HB3 ASN A 129 7.939 -0.942 6.985 1.00 39.28 H new ATOM 0 HD21 ASN A 129 5.063 -0.644 9.072 1.00 37.18 H new ATOM 0 HD22 ASN A 129 6.428 0.222 8.359 1.00 37.18 H new ATOM 1768 N ASN A 130 8.738 -0.361 4.039 1.00 54.30 N ATOM 1769 CA ASN A 130 9.936 0.277 3.509 1.00 56.86 C ATOM 1770 C ASN A 130 10.299 -0.312 2.150 1.00 60.77 C ATOM 1771 O ASN A 130 10.628 -1.498 2.046 1.00 59.36 O ATOM 1772 CB ASN A 130 11.105 0.095 4.482 1.00 60.10 C ATOM 1773 CG ASN A 130 12.263 1.037 4.202 1.00 66.88 C ATOM 1774 OD1 ASN A 130 12.438 1.524 3.082 1.00 72.02 O ATOM 1775 ND2 ASN A 130 13.072 1.293 5.217 1.00 69.88 N ATOM 0 H ASN A 130 8.622 -1.335 3.760 1.00 54.30 H new ATOM 0 HA ASN A 130 9.734 1.341 3.387 1.00 56.86 H new ATOM 0 HB2 ASN A 130 10.751 0.256 5.500 1.00 60.10 H new ATOM 0 HB3 ASN A 130 11.460 -0.934 4.427 1.00 60.10 H new ATOM 0 HD21 ASN A 130 13.873 1.912 5.088 1.00 69.88 H new ATOM 0 HD22 ASN A 130 12.895 0.872 6.129 1.00 69.88 H new ATOM 1783 N MET B 1 -16.579 19.167 7.974 1.00 9.67 N ATOM 1784 CA MET B 1 -16.502 17.823 8.587 1.00 10.38 C ATOM 1785 C MET B 1 -15.106 17.574 9.138 1.00 9.62 C ATOM 1786 O MET B 1 -14.142 18.214 8.715 1.00 9.62 O ATOM 1787 CB MET B 1 -16.868 16.743 7.563 1.00 13.77 C ATOM 1788 CG MET B 1 -15.950 16.702 6.353 1.00 16.29 C ATOM 1789 SD MET B 1 -16.308 15.318 5.256 1.00 17.17 S ATOM 1790 CE MET B 1 -15.303 15.747 3.836 1.00 16.11 C ATOM 0 H1 MET B 1 -17.275 19.157 7.201 1.00 9.67 H new ATOM 0 H2 MET B 1 -16.870 19.860 8.693 1.00 9.67 H new ATOM 0 H3 MET B 1 -15.646 19.430 7.597 1.00 9.67 H new ATOM 0 HA MET B 1 -17.217 17.777 9.409 1.00 10.38 H new ATOM 0 HB2 MET B 1 -16.849 15.770 8.054 1.00 13.77 H new ATOM 0 HB3 MET B 1 -17.891 16.909 7.225 1.00 13.77 H new ATOM 0 HG2 MET B 1 -16.046 17.635 5.798 1.00 16.29 H new ATOM 0 HG3 MET B 1 -14.915 16.636 6.689 1.00 16.29 H new ATOM 0 HE1 MET B 1 -15.828 15.469 2.922 1.00 16.11 H new ATOM 0 HE2 MET B 1 -15.115 16.821 3.834 1.00 16.11 H new ATOM 0 HE3 MET B 1 -14.354 15.212 3.887 1.00 16.11 H new ATOM 1802 N GLN B 2 -15.005 16.650 10.085 1.00 9.27 N ATOM 1803 CA GLN B 2 -13.726 16.317 10.699 1.00 9.07 C ATOM 1804 C GLN B 2 -13.105 15.106 10.014 1.00 8.72 C ATOM 1805 O GLN B 2 -13.721 14.040 9.942 1.00 8.22 O ATOM 1806 CB GLN B 2 -13.906 16.015 12.193 1.00 14.46 C ATOM 1807 CG GLN B 2 -14.782 17.010 12.937 1.00 17.01 C ATOM 1808 CD GLN B 2 -14.235 18.424 12.909 1.00 20.10 C ATOM 1809 OE1 GLN B 2 -13.026 18.641 12.829 1.00 21.89 O ATOM 1810 NE2 GLN B 2 -15.129 19.395 12.988 1.00 19.49 N ATOM 0 H GLN B 2 -15.796 16.116 10.445 1.00 9.27 H new ATOM 0 HA GLN B 2 -13.065 17.176 10.584 1.00 9.07 H new ATOM 0 HB2 GLN B 2 -14.337 15.020 12.300 1.00 14.46 H new ATOM 0 HB3 GLN B 2 -12.924 15.990 12.666 1.00 14.46 H new ATOM 0 HG2 GLN B 2 -15.780 17.005 12.499 1.00 17.01 H new ATOM 0 HG3 GLN B 2 -14.887 16.688 13.973 1.00 17.01 H new ATOM 0 HE21 GLN B 2 -16.122 19.170 13.053 1.00 19.49 H new ATOM 0 HE22 GLN B 2 -14.826 20.369 12.984 1.00 19.49 H new ATOM 1819 N ILE B 3 -11.898 15.274 9.491 1.00 5.87 N ATOM 1820 CA ILE B 3 -11.200 14.178 8.833 1.00 5.07 C ATOM 1821 C ILE B 3 -10.068 13.673 9.721 1.00 4.01 C ATOM 1822 O ILE B 3 -9.615 14.384 10.622 1.00 4.61 O ATOM 1823 CB ILE B 3 -10.641 14.586 7.453 1.00 6.55 C ATOM 1824 CG1 ILE B 3 -9.618 15.716 7.594 1.00 4.72 C ATOM 1825 CG2 ILE B 3 -11.776 14.997 6.524 1.00 5.58 C ATOM 1826 CD1 ILE B 3 -8.842 15.996 6.326 1.00 10.83 C ATOM 0 H ILE B 3 -11.384 16.155 9.509 1.00 5.87 H new ATOM 0 HA ILE B 3 -11.926 13.382 8.670 1.00 5.07 H new ATOM 0 HB ILE B 3 -10.133 13.725 7.018 1.00 6.55 H new ATOM 0 HG12 ILE B 3 -10.134 16.625 7.902 1.00 4.72 H new ATOM 0 HG13 ILE B 3 -8.917 15.463 8.390 1.00 4.72 H new ATOM 0 HG21 ILE B 3 -11.367 15.282 5.555 1.00 5.58 H new ATOM 0 HG22 ILE B 3 -12.463 14.160 6.396 1.00 5.58 H new ATOM 0 HG23 ILE B 3 -12.311 15.843 6.955 1.00 5.58 H new ATOM 0 HD11 ILE B 3 -8.137 16.808 6.503 1.00 10.83 H new ATOM 0 HD12 ILE B 3 -8.297 15.101 6.028 1.00 10.83 H new ATOM 0 HD13 ILE B 3 -9.533 16.281 5.532 1.00 10.83 H new ATOM 1838 N PHE B 4 -9.617 12.452 9.471 1.00 4.55 N ATOM 1839 CA PHE B 4 -8.556 11.858 10.273 1.00 4.68 C ATOM 1840 C PHE B 4 -7.356 11.486 9.412 1.00 5.30 C ATOM 1841 O PHE B 4 -7.413 10.546 8.622 1.00 5.58 O ATOM 1842 CB PHE B 4 -9.087 10.622 11.007 1.00 4.83 C ATOM 1843 CG PHE B 4 -10.159 10.938 12.015 1.00 7.97 C ATOM 1844 CD1 PHE B 4 -9.827 11.319 13.305 1.00 6.69 C ATOM 1845 CD2 PHE B 4 -11.500 10.860 11.668 1.00 8.34 C ATOM 1846 CE1 PHE B 4 -10.809 11.618 14.229 1.00 9.10 C ATOM 1847 CE2 PHE B 4 -12.486 11.157 12.589 1.00 10.61 C ATOM 1848 CZ PHE B 4 -12.140 11.537 13.871 1.00 8.90 C ATOM 0 H PHE B 4 -9.967 11.855 8.722 1.00 4.55 H new ATOM 0 HA PHE B 4 -8.227 12.596 11.004 1.00 4.68 H new ATOM 0 HB2 PHE B 4 -9.483 9.917 10.276 1.00 4.83 H new ATOM 0 HB3 PHE B 4 -8.259 10.125 11.513 1.00 4.83 H new ATOM 0 HD1 PHE B 4 -8.788 11.383 13.592 1.00 6.69 H new ATOM 0 HD2 PHE B 4 -11.776 10.564 10.667 1.00 8.34 H new ATOM 0 HE1 PHE B 4 -10.536 11.915 15.231 1.00 9.10 H new ATOM 0 HE2 PHE B 4 -13.526 11.092 12.307 1.00 10.61 H new ATOM 0 HZ PHE B 4 -12.909 11.770 14.592 1.00 8.90 H new ATOM 1858 N VAL B 5 -6.273 12.232 9.570 1.00 4.44 N ATOM 1859 CA VAL B 5 -5.055 11.985 8.810 1.00 3.87 C ATOM 1860 C VAL B 5 -3.961 11.418 9.712 1.00 4.93 C ATOM 1861 O VAL B 5 -3.451 12.110 10.589 1.00 6.84 O ATOM 1862 CB VAL B 5 -4.534 13.276 8.144 1.00 2.99 C ATOM 1863 CG1 VAL B 5 -3.381 12.968 7.202 1.00 5.28 C ATOM 1864 CG2 VAL B 5 -5.650 14.000 7.405 1.00 9.13 C ATOM 0 H VAL B 5 -6.212 13.016 10.220 1.00 4.44 H new ATOM 0 HA VAL B 5 -5.303 11.261 8.034 1.00 3.87 H new ATOM 0 HB VAL B 5 -4.168 13.935 8.932 1.00 2.99 H new ATOM 0 HG11 VAL B 5 -3.029 13.892 6.743 1.00 5.28 H new ATOM 0 HG12 VAL B 5 -2.567 12.508 7.762 1.00 5.28 H new ATOM 0 HG13 VAL B 5 -3.719 12.283 6.425 1.00 5.28 H new ATOM 0 HG21 VAL B 5 -5.254 14.906 6.946 1.00 9.13 H new ATOM 0 HG22 VAL B 5 -6.056 13.349 6.631 1.00 9.13 H new ATOM 0 HG23 VAL B 5 -6.440 14.265 8.108 1.00 9.13 H new ATOM 1874 N LYS B 6 -3.613 10.156 9.501 1.00 6.04 N ATOM 1875 CA LYS B 6 -2.579 9.509 10.294 1.00 6.12 C ATOM 1876 C LYS B 6 -1.215 9.659 9.630 1.00 6.57 C ATOM 1877 O LYS B 6 -1.017 9.246 8.484 1.00 5.76 O ATOM 1878 CB LYS B 6 -2.899 8.025 10.488 1.00 7.45 C ATOM 1879 CG LYS B 6 -3.413 7.693 11.878 1.00 11.12 C ATOM 1880 CD LYS B 6 -3.125 6.244 12.246 1.00 14.54 C ATOM 1881 CE LYS B 6 -3.595 5.915 13.656 1.00 18.84 C ATOM 1882 NZ LYS B 6 -5.066 6.059 13.805 1.00 20.55 N ATOM 0 H LYS B 6 -4.032 9.560 8.787 1.00 6.04 H new ATOM 0 HA LYS B 6 -2.550 9.996 11.269 1.00 6.12 H new ATOM 0 HB2 LYS B 6 -3.644 7.723 9.752 1.00 7.45 H new ATOM 0 HB3 LYS B 6 -2.001 7.439 10.292 1.00 7.45 H new ATOM 0 HG2 LYS B 6 -2.946 8.355 12.608 1.00 11.12 H new ATOM 0 HG3 LYS B 6 -4.487 7.875 11.923 1.00 11.12 H new ATOM 0 HD2 LYS B 6 -3.620 5.583 11.534 1.00 14.54 H new ATOM 0 HD3 LYS B 6 -2.055 6.054 12.166 1.00 14.54 H new ATOM 0 HE2 LYS B 6 -3.304 4.894 13.905 1.00 18.84 H new ATOM 0 HE3 LYS B 6 -3.093 6.572 14.367 1.00 18.84 H new ATOM 0 HZ1 LYS B 6 -5.404 5.416 14.549 1.00 20.55 H new ATOM 0 HZ2 LYS B 6 -5.294 7.040 14.065 1.00 20.55 H new ATOM 0 HZ3 LYS B 6 -5.531 5.822 12.905 1.00 20.55 H new ATOM 1896 N THR B 7 -0.284 10.265 10.348 1.00 7.41 N ATOM 1897 CA THR B 7 1.066 10.467 9.843 1.00 7.48 C ATOM 1898 C THR B 7 1.926 9.220 10.047 1.00 8.75 C ATOM 1899 O THR B 7 1.436 8.183 10.507 1.00 8.58 O ATOM 1900 CB THR B 7 1.736 11.659 10.548 1.00 9.61 C ATOM 1901 OG1 THR B 7 1.320 11.718 11.918 1.00 11.78 O ATOM 1902 CG2 THR B 7 1.394 12.963 9.850 1.00 9.17 C ATOM 0 H THR B 7 -0.439 10.628 11.289 1.00 7.41 H new ATOM 0 HA THR B 7 0.986 10.672 8.775 1.00 7.48 H new ATOM 0 HB THR B 7 2.816 11.517 10.505 1.00 9.61 H new ATOM 0 HG1 THR B 7 1.753 12.479 12.359 1.00 11.78 H new ATOM 0 HG21 THR B 7 1.879 13.791 10.367 1.00 9.17 H new ATOM 0 HG22 THR B 7 1.743 12.926 8.818 1.00 9.17 H new ATOM 0 HG23 THR B 7 0.314 13.110 9.863 1.00 9.17 H new ATOM 1910 N LEU B 8 3.209 9.318 9.710 1.00 9.84 N ATOM 1911 CA LEU B 8 4.129 8.200 9.874 1.00 14.15 C ATOM 1912 C LEU B 8 4.377 7.943 11.355 1.00 17.37 C ATOM 1913 O LEU B 8 4.778 6.851 11.754 1.00 17.01 O ATOM 1914 CB LEU B 8 5.455 8.481 9.166 1.00 16.63 C ATOM 1915 CG LEU B 8 5.388 8.500 7.639 1.00 18.88 C ATOM 1916 CD1 LEU B 8 6.605 9.203 7.062 1.00 19.31 C ATOM 1917 CD2 LEU B 8 5.290 7.082 7.096 1.00 18.59 C ATOM 0 H LEU B 8 3.634 10.160 9.322 1.00 9.84 H new ATOM 0 HA LEU B 8 3.678 7.315 9.425 1.00 14.15 H new ATOM 0 HB2 LEU B 8 5.834 9.444 9.509 1.00 16.63 H new ATOM 0 HB3 LEU B 8 6.179 7.726 9.472 1.00 16.63 H new ATOM 0 HG LEU B 8 4.496 9.050 7.339 1.00 18.88 H new ATOM 0 HD11 LEU B 8 6.541 9.207 5.974 1.00 19.31 H new ATOM 0 HD12 LEU B 8 6.640 10.229 7.428 1.00 19.31 H new ATOM 0 HD13 LEU B 8 7.509 8.677 7.370 1.00 19.31 H new ATOM 0 HD21 LEU B 8 5.243 7.112 6.007 1.00 18.59 H new ATOM 0 HD22 LEU B 8 6.166 6.512 7.406 1.00 18.59 H new ATOM 0 HD23 LEU B 8 4.391 6.605 7.485 1.00 18.59 H new ATOM 1929 N THR B 9 4.124 8.963 12.162 1.00 18.33 N ATOM 1930 CA THR B 9 4.295 8.870 13.601 1.00 19.24 C ATOM 1931 C THR B 9 3.097 8.163 14.242 1.00 19.48 C ATOM 1932 O THR B 9 3.076 7.911 15.449 1.00 23.14 O ATOM 1933 CB THR B 9 4.451 10.277 14.204 1.00 18.97 C ATOM 1934 OG1 THR B 9 5.041 11.155 13.232 1.00 20.24 O ATOM 1935 CG2 THR B 9 5.313 10.245 15.458 1.00 19.70 C ATOM 0 H THR B 9 3.796 9.873 11.838 1.00 18.33 H new ATOM 0 HA THR B 9 5.194 8.288 13.804 1.00 19.24 H new ATOM 0 HB THR B 9 3.462 10.643 14.480 1.00 18.97 H new ATOM 0 HG1 THR B 9 5.138 12.051 13.617 1.00 20.24 H new ATOM 0 HG21 THR B 9 5.405 11.253 15.862 1.00 19.70 H new ATOM 0 HG22 THR B 9 4.849 9.597 16.202 1.00 19.70 H new ATOM 0 HG23 THR B 9 6.303 9.861 15.210 1.00 19.70 H new ATOM 1943 N GLY B 10 2.100 7.847 13.420 1.00 19.43 N ATOM 1944 CA GLY B 10 0.909 7.181 13.905 1.00 18.74 C ATOM 1945 C GLY B 10 -0.046 8.147 14.567 1.00 17.62 C ATOM 1946 O GLY B 10 -0.999 7.742 15.227 1.00 19.74 O ATOM 0 H GLY B 10 2.099 8.043 12.419 1.00 19.43 H new ATOM 0 HA2 GLY B 10 0.406 6.685 13.074 1.00 18.74 H new ATOM 0 HA3 GLY B 10 1.191 6.405 14.616 1.00 18.74 H new ATOM 1950 N LYS B 11 0.214 9.431 14.382 1.00 13.56 N ATOM 1951 CA LYS B 11 -0.611 10.474 14.967 1.00 11.91 C ATOM 1952 C LYS B 11 -1.800 10.784 14.066 1.00 10.18 C ATOM 1953 O LYS B 11 -1.630 11.124 12.894 1.00 9.10 O ATOM 1954 CB LYS B 11 0.226 11.736 15.195 1.00 13.43 C ATOM 1955 CG LYS B 11 -0.576 12.924 15.701 1.00 16.69 C ATOM 1956 CD LYS B 11 0.302 14.151 15.878 1.00 17.92 C ATOM 1957 CE LYS B 11 -0.514 15.378 16.244 1.00 20.81 C ATOM 1958 NZ LYS B 11 0.353 16.555 16.514 1.00 21.93 N ATOM 0 H LYS B 11 0.996 9.777 13.827 1.00 13.56 H new ATOM 0 HA LYS B 11 -0.990 10.122 15.927 1.00 11.91 H new ATOM 0 HB2 LYS B 11 1.016 11.512 15.912 1.00 13.43 H new ATOM 0 HB3 LYS B 11 0.713 12.011 14.259 1.00 13.43 H new ATOM 0 HG2 LYS B 11 -1.379 13.148 14.999 1.00 16.69 H new ATOM 0 HG3 LYS B 11 -1.045 12.670 16.652 1.00 16.69 H new ATOM 0 HD2 LYS B 11 1.041 13.960 16.656 1.00 17.92 H new ATOM 0 HD3 LYS B 11 0.852 14.341 14.956 1.00 17.92 H new ATOM 0 HE2 LYS B 11 -1.203 15.612 15.432 1.00 20.81 H new ATOM 0 HE3 LYS B 11 -1.120 15.163 17.124 1.00 20.81 H new ATOM 0 HZ1 LYS B 11 -0.179 17.429 16.327 1.00 21.93 H new ATOM 0 HZ2 LYS B 11 0.657 16.541 17.508 1.00 21.93 H new ATOM 0 HZ3 LYS B 11 1.189 16.520 15.896 1.00 21.93 H new ATOM 1972 N THR B 12 -2.997 10.651 14.613 1.00 9.63 N ATOM 1973 CA THR B 12 -4.208 10.925 13.863 1.00 9.85 C ATOM 1974 C THR B 12 -4.584 12.401 13.976 1.00 11.66 C ATOM 1975 O THR B 12 -5.217 12.823 14.947 1.00 12.33 O ATOM 1976 CB THR B 12 -5.384 10.058 14.354 1.00 10.85 C ATOM 1977 OG1 THR B 12 -4.916 8.753 14.728 1.00 10.91 O ATOM 1978 CG2 THR B 12 -6.440 9.924 13.272 1.00 9.63 C ATOM 0 H THR B 12 -3.154 10.354 15.576 1.00 9.63 H new ATOM 0 HA THR B 12 -4.008 10.679 12.820 1.00 9.85 H new ATOM 0 HB THR B 12 -5.827 10.547 15.222 1.00 10.85 H new ATOM 0 HG1 THR B 12 -5.578 8.322 15.308 1.00 10.91 H new ATOM 0 HG21 THR B 12 -7.261 9.308 13.639 1.00 9.63 H new ATOM 0 HG22 THR B 12 -6.817 10.912 13.007 1.00 9.63 H new ATOM 0 HG23 THR B 12 -6.001 9.455 12.391 1.00 9.63 H new ATOM 1986 N ILE B 13 -4.171 13.180 12.988 1.00 10.42 N ATOM 1987 CA ILE B 13 -4.454 14.605 12.962 1.00 11.84 C ATOM 1988 C ILE B 13 -5.879 14.851 12.485 1.00 10.55 C ATOM 1989 O ILE B 13 -6.270 14.398 11.408 1.00 11.92 O ATOM 1990 CB ILE B 13 -3.475 15.354 12.031 1.00 14.86 C ATOM 1991 CG1 ILE B 13 -2.030 14.975 12.360 1.00 14.87 C ATOM 1992 CG2 ILE B 13 -3.672 16.862 12.144 1.00 17.08 C ATOM 1993 CD1 ILE B 13 -1.029 15.461 11.334 1.00 16.46 C ATOM 0 H ILE B 13 -3.634 12.845 12.188 1.00 10.42 H new ATOM 0 HA ILE B 13 -4.333 14.983 13.977 1.00 11.84 H new ATOM 0 HB ILE B 13 -3.684 15.059 11.003 1.00 14.86 H new ATOM 0 HG12 ILE B 13 -1.768 15.386 13.335 1.00 14.87 H new ATOM 0 HG13 ILE B 13 -1.957 13.891 12.442 1.00 14.87 H new ATOM 0 HG21 ILE B 13 -2.973 17.371 11.480 1.00 17.08 H new ATOM 0 HG22 ILE B 13 -4.693 17.118 11.861 1.00 17.08 H new ATOM 0 HG23 ILE B 13 -3.491 17.177 13.172 1.00 17.08 H new ATOM 0 HD11 ILE B 13 -0.026 15.156 11.632 1.00 16.46 H new ATOM 0 HD12 ILE B 13 -1.266 15.029 10.362 1.00 16.46 H new ATOM 0 HD13 ILE B 13 -1.074 16.548 11.269 1.00 16.46 H new ATOM 2005 N THR B 14 -6.660 15.546 13.296 1.00 9.39 N ATOM 2006 CA THR B 14 -8.033 15.854 12.943 1.00 9.63 C ATOM 2007 C THR B 14 -8.109 17.242 12.323 1.00 11.20 C ATOM 2008 O THR B 14 -7.685 18.227 12.927 1.00 11.63 O ATOM 2009 CB THR B 14 -8.958 15.780 14.172 1.00 10.38 C ATOM 2010 OG1 THR B 14 -8.592 14.654 14.980 1.00 16.30 O ATOM 2011 CG2 THR B 14 -10.415 15.656 13.751 1.00 11.66 C ATOM 0 H THR B 14 -6.365 15.907 14.203 1.00 9.39 H new ATOM 0 HA THR B 14 -8.370 15.111 12.220 1.00 9.63 H new ATOM 0 HB THR B 14 -8.844 16.700 14.746 1.00 10.38 H new ATOM 0 HG1 THR B 14 -9.180 14.608 15.763 1.00 16.30 H new ATOM 0 HG21 THR B 14 -11.047 15.606 14.638 1.00 11.66 H new ATOM 0 HG22 THR B 14 -10.696 16.523 13.154 1.00 11.66 H new ATOM 0 HG23 THR B 14 -10.547 14.750 13.159 1.00 11.66 H new ATOM 2019 N LEU B 15 -8.625 17.315 11.110 1.00 8.29 N ATOM 2020 CA LEU B 15 -8.739 18.583 10.414 1.00 9.03 C ATOM 2021 C LEU B 15 -10.180 18.850 10.017 1.00 8.59 C ATOM 2022 O LEU B 15 -10.885 17.953 9.548 1.00 7.79 O ATOM 2023 CB LEU B 15 -7.844 18.588 9.173 1.00 11.08 C ATOM 2024 CG LEU B 15 -6.346 18.445 9.453 1.00 15.79 C ATOM 2025 CD1 LEU B 15 -5.628 17.859 8.248 1.00 15.88 C ATOM 2026 CD2 LEU B 15 -5.742 19.789 9.822 1.00 15.27 C ATOM 0 H LEU B 15 -8.972 16.511 10.586 1.00 8.29 H new ATOM 0 HA LEU B 15 -8.414 19.374 11.089 1.00 9.03 H new ATOM 0 HB2 LEU B 15 -8.155 17.775 8.517 1.00 11.08 H new ATOM 0 HB3 LEU B 15 -8.009 19.518 8.629 1.00 11.08 H new ATOM 0 HG LEU B 15 -6.221 17.764 10.295 1.00 15.79 H new ATOM 0 HD11 LEU B 15 -4.565 17.766 8.468 1.00 15.88 H new ATOM 0 HD12 LEU B 15 -6.040 16.875 8.022 1.00 15.88 H new ATOM 0 HD13 LEU B 15 -5.764 18.515 7.389 1.00 15.88 H new ATOM 0 HD21 LEU B 15 -4.677 19.668 10.018 1.00 15.27 H new ATOM 0 HD22 LEU B 15 -5.882 20.489 8.999 1.00 15.27 H new ATOM 0 HD23 LEU B 15 -6.233 20.176 10.715 1.00 15.27 H new ATOM 2038 N GLU B 16 -10.611 20.082 10.219 1.00 11.04 N ATOM 2039 CA GLU B 16 -11.962 20.486 9.878 1.00 11.50 C ATOM 2040 C GLU B 16 -11.977 21.100 8.487 1.00 10.13 C ATOM 2041 O GLU B 16 -11.474 22.206 8.275 1.00 9.83 O ATOM 2042 CB GLU B 16 -12.497 21.481 10.908 1.00 17.22 C ATOM 2043 CG GLU B 16 -13.959 21.845 10.700 1.00 23.33 C ATOM 2044 CD GLU B 16 -14.507 22.704 11.814 1.00 26.99 C ATOM 2045 OE1 GLU B 16 -14.291 23.933 11.782 1.00 28.86 O ATOM 2046 OE2 GLU B 16 -15.161 22.158 12.727 1.00 28.90 O ATOM 0 H GLU B 16 -10.039 20.825 10.621 1.00 11.04 H new ATOM 0 HA GLU B 16 -12.608 19.608 9.885 1.00 11.50 H new ATOM 0 HB2 GLU B 16 -12.374 21.060 11.906 1.00 17.22 H new ATOM 0 HB3 GLU B 16 -11.896 22.389 10.870 1.00 17.22 H new ATOM 0 HG2 GLU B 16 -14.067 22.373 9.752 1.00 23.33 H new ATOM 0 HG3 GLU B 16 -14.550 20.932 10.626 1.00 23.33 H new ATOM 2053 N VAL B 17 -12.536 20.372 7.539 1.00 8.99 N ATOM 2054 CA VAL B 17 -12.606 20.832 6.159 1.00 8.85 C ATOM 2055 C VAL B 17 -13.958 20.511 5.548 1.00 8.04 C ATOM 2056 O VAL B 17 -14.729 19.722 6.095 1.00 8.99 O ATOM 2057 CB VAL B 17 -11.505 20.190 5.287 1.00 9.78 C ATOM 2058 CG1 VAL B 17 -10.187 20.930 5.447 1.00 12.05 C ATOM 2059 CG2 VAL B 17 -11.336 18.718 5.632 1.00 10.54 C ATOM 0 H VAL B 17 -12.951 19.454 7.698 1.00 8.99 H new ATOM 0 HA VAL B 17 -12.458 21.912 6.181 1.00 8.85 H new ATOM 0 HB VAL B 17 -11.813 20.266 4.244 1.00 9.78 H new ATOM 0 HG11 VAL B 17 -9.427 20.459 4.823 1.00 12.05 H new ATOM 0 HG12 VAL B 17 -10.314 21.969 5.143 1.00 12.05 H new ATOM 0 HG13 VAL B 17 -9.873 20.893 6.490 1.00 12.05 H new ATOM 0 HG21 VAL B 17 -10.556 18.285 5.006 1.00 10.54 H new ATOM 0 HG22 VAL B 17 -11.056 18.620 6.681 1.00 10.54 H new ATOM 0 HG23 VAL B 17 -12.275 18.193 5.456 1.00 10.54 H new ATOM 2069 N GLU B 18 -14.236 21.128 4.415 1.00 7.29 N ATOM 2070 CA GLU B 18 -15.484 20.911 3.709 1.00 7.08 C ATOM 2071 C GLU B 18 -15.223 20.034 2.486 1.00 6.45 C ATOM 2072 O GLU B 18 -14.102 19.985 1.994 1.00 5.28 O ATOM 2073 CB GLU B 18 -16.091 22.251 3.286 1.00 10.28 C ATOM 2074 CG GLU B 18 -16.297 23.220 4.441 1.00 12.65 C ATOM 2075 CD GLU B 18 -17.345 22.747 5.428 1.00 14.15 C ATOM 2076 OE1 GLU B 18 -18.431 22.316 4.989 1.00 14.33 O ATOM 2077 OE2 GLU B 18 -17.091 22.813 6.649 1.00 18.17 O ATOM 0 H GLU B 18 -13.607 21.790 3.960 1.00 7.29 H new ATOM 0 HA GLU B 18 -16.192 20.408 4.367 1.00 7.08 H new ATOM 0 HB2 GLU B 18 -15.442 22.716 2.544 1.00 10.28 H new ATOM 0 HB3 GLU B 18 -17.050 22.069 2.801 1.00 10.28 H new ATOM 0 HG2 GLU B 18 -15.351 23.361 4.963 1.00 12.65 H new ATOM 0 HG3 GLU B 18 -16.591 24.192 4.045 1.00 12.65 H new ATOM 2084 N PRO B 19 -16.246 19.328 1.973 1.00 7.24 N ATOM 2085 CA PRO B 19 -16.097 18.446 0.803 1.00 7.07 C ATOM 2086 C PRO B 19 -15.575 19.173 -0.436 1.00 6.65 C ATOM 2087 O PRO B 19 -15.013 18.553 -1.343 1.00 6.37 O ATOM 2088 CB PRO B 19 -17.517 17.930 0.555 1.00 7.61 C ATOM 2089 CG PRO B 19 -18.217 18.090 1.859 1.00 8.16 C ATOM 2090 CD PRO B 19 -17.622 19.311 2.502 1.00 7.49 C ATOM 0 HA PRO B 19 -15.365 17.661 0.993 1.00 7.07 H new ATOM 0 HB2 PRO B 19 -18.012 18.499 -0.232 1.00 7.61 H new ATOM 0 HB3 PRO B 19 -17.508 16.888 0.237 1.00 7.61 H new ATOM 0 HG2 PRO B 19 -19.291 18.210 1.713 1.00 8.16 H new ATOM 0 HG3 PRO B 19 -18.077 17.211 2.488 1.00 8.16 H new ATOM 0 HD2 PRO B 19 -18.169 20.215 2.234 1.00 7.49 H new ATOM 0 HD3 PRO B 19 -17.635 19.241 3.590 1.00 7.49 H new ATOM 2098 N SER B 20 -15.760 20.484 -0.470 1.00 6.80 N ATOM 2099 CA SER B 20 -15.317 21.294 -1.595 1.00 6.28 C ATOM 2100 C SER B 20 -13.878 21.782 -1.412 1.00 8.45 C ATOM 2101 O SER B 20 -13.341 22.487 -2.269 1.00 7.26 O ATOM 2102 CB SER B 20 -16.257 22.483 -1.763 1.00 8.57 C ATOM 2103 OG SER B 20 -17.604 22.093 -1.545 1.00 11.13 O ATOM 0 H SER B 20 -16.217 21.012 0.273 1.00 6.80 H new ATOM 0 HA SER B 20 -15.339 20.673 -2.491 1.00 6.28 H new ATOM 0 HB2 SER B 20 -15.983 23.271 -1.061 1.00 8.57 H new ATOM 0 HB3 SER B 20 -16.151 22.898 -2.765 1.00 8.57 H new ATOM 0 HG SER B 20 -18.191 22.870 -1.656 1.00 11.13 H new ATOM 2109 N ASP B 21 -13.256 21.410 -0.300 1.00 7.50 N ATOM 2110 CA ASP B 21 -11.880 21.816 -0.027 1.00 7.70 C ATOM 2111 C ASP B 21 -10.907 21.053 -0.910 1.00 7.08 C ATOM 2112 O ASP B 21 -11.099 19.867 -1.185 1.00 8.11 O ATOM 2113 CB ASP B 21 -11.521 21.578 1.441 1.00 11.00 C ATOM 2114 CG ASP B 21 -11.592 22.841 2.279 1.00 15.32 C ATOM 2115 OD1 ASP B 21 -10.794 23.775 2.038 1.00 18.03 O ATOM 2116 OD2 ASP B 21 -12.443 22.905 3.191 1.00 14.36 O ATOM 0 H ASP B 21 -13.679 20.831 0.425 1.00 7.50 H new ATOM 0 HA ASP B 21 -11.804 22.881 -0.245 1.00 7.70 H new ATOM 0 HB2 ASP B 21 -12.197 20.832 1.859 1.00 11.00 H new ATOM 0 HB3 ASP B 21 -10.514 21.164 1.501 1.00 11.00 H new ATOM 2121 N THR B 22 -9.879 21.745 -1.365 1.00 5.37 N ATOM 2122 CA THR B 22 -8.858 21.147 -2.207 1.00 6.01 C ATOM 2123 C THR B 22 -7.830 20.414 -1.346 1.00 8.01 C ATOM 2124 O THR B 22 -7.615 20.781 -0.191 1.00 8.11 O ATOM 2125 CB THR B 22 -8.150 22.229 -3.042 1.00 8.92 C ATOM 2126 OG1 THR B 22 -8.945 23.424 -3.057 1.00 10.22 O ATOM 2127 CG2 THR B 22 -7.918 21.756 -4.468 1.00 9.65 C ATOM 0 H THR B 22 -9.728 22.733 -1.163 1.00 5.37 H new ATOM 0 HA THR B 22 -9.339 20.436 -2.879 1.00 6.01 H new ATOM 0 HB THR B 22 -7.182 22.433 -2.585 1.00 8.92 H new ATOM 0 HG1 THR B 22 -8.492 24.112 -3.588 1.00 10.22 H new ATOM 0 HG21 THR B 22 -7.416 22.541 -5.035 1.00 9.65 H new ATOM 0 HG22 THR B 22 -7.296 20.861 -4.458 1.00 9.65 H new ATOM 0 HG23 THR B 22 -8.876 21.527 -4.936 1.00 9.65 H new ATOM 2135 N ILE B 23 -7.208 19.379 -1.900 1.00 8.32 N ATOM 2136 CA ILE B 23 -6.198 18.613 -1.174 1.00 9.92 C ATOM 2137 C ILE B 23 -5.069 19.526 -0.690 1.00 10.01 C ATOM 2138 O ILE B 23 -4.638 19.433 0.460 1.00 8.71 O ATOM 2139 CB ILE B 23 -5.630 17.466 -2.043 1.00 10.78 C ATOM 2140 CG1 ILE B 23 -6.702 16.395 -2.282 1.00 11.38 C ATOM 2141 CG2 ILE B 23 -4.392 16.846 -1.405 1.00 10.90 C ATOM 2142 CD1 ILE B 23 -7.191 15.723 -1.015 1.00 12.30 C ATOM 0 H ILE B 23 -7.384 19.050 -2.849 1.00 8.32 H new ATOM 0 HA ILE B 23 -6.682 18.169 -0.304 1.00 9.92 H new ATOM 0 HB ILE B 23 -5.334 17.889 -3.003 1.00 10.78 H new ATOM 0 HG12 ILE B 23 -7.551 16.852 -2.790 1.00 11.38 H new ATOM 0 HG13 ILE B 23 -6.300 15.636 -2.953 1.00 11.38 H new ATOM 0 HG21 ILE B 23 -4.018 16.044 -2.041 1.00 10.90 H new ATOM 0 HG22 ILE B 23 -3.621 17.608 -1.291 1.00 10.90 H new ATOM 0 HG23 ILE B 23 -4.651 16.443 -0.426 1.00 10.90 H new ATOM 0 HD11 ILE B 23 -7.947 14.979 -1.266 1.00 12.30 H new ATOM 0 HD12 ILE B 23 -6.354 15.235 -0.515 1.00 12.30 H new ATOM 0 HD13 ILE B 23 -7.625 16.471 -0.351 1.00 12.30 H new ATOM 2154 N GLU B 24 -4.611 20.427 -1.559 1.00 9.54 N ATOM 2155 CA GLU B 24 -3.547 21.364 -1.194 1.00 11.81 C ATOM 2156 C GLU B 24 -3.998 22.256 -0.037 1.00 11.14 C ATOM 2157 O GLU B 24 -3.204 22.620 0.832 1.00 10.62 O ATOM 2158 CB GLU B 24 -3.148 22.223 -2.397 1.00 19.24 C ATOM 2159 CG GLU B 24 -2.023 23.204 -2.101 1.00 27.76 C ATOM 2160 CD GLU B 24 -1.570 23.960 -3.331 1.00 32.92 C ATOM 2161 OE1 GLU B 24 -2.437 24.424 -4.102 1.00 34.80 O ATOM 2162 OE2 GLU B 24 -0.343 24.093 -3.538 1.00 36.51 O ATOM 0 H GLU B 24 -4.956 20.528 -2.513 1.00 9.54 H new ATOM 0 HA GLU B 24 -2.678 20.788 -0.876 1.00 11.81 H new ATOM 0 HB2 GLU B 24 -2.843 21.569 -3.214 1.00 19.24 H new ATOM 0 HB3 GLU B 24 -4.021 22.778 -2.742 1.00 19.24 H new ATOM 0 HG2 GLU B 24 -2.356 23.915 -1.345 1.00 27.76 H new ATOM 0 HG3 GLU B 24 -1.176 22.663 -1.679 1.00 27.76 H new ATOM 2169 N ASN B 25 -5.289 22.580 -0.024 1.00 9.43 N ATOM 2170 CA ASN B 25 -5.869 23.416 1.022 1.00 10.96 C ATOM 2171 C ASN B 25 -5.759 22.715 2.367 1.00 9.68 C ATOM 2172 O ASN B 25 -5.561 23.349 3.401 1.00 9.33 O ATOM 2173 CB ASN B 25 -7.342 23.715 0.714 1.00 16.78 C ATOM 2174 CG ASN B 25 -7.657 25.199 0.706 1.00 22.31 C ATOM 2175 OD1 ASN B 25 -6.825 26.023 0.324 1.00 25.66 O ATOM 2176 ND2 ASN B 25 -8.862 25.552 1.125 1.00 24.70 N ATOM 0 H ASN B 25 -5.956 22.273 -0.732 1.00 9.43 H new ATOM 0 HA ASN B 25 -5.319 24.357 1.059 1.00 10.96 H new ATOM 0 HB2 ASN B 25 -7.598 23.290 -0.256 1.00 16.78 H new ATOM 0 HB3 ASN B 25 -7.970 23.220 1.455 1.00 16.78 H new ATOM 0 HD21 ASN B 25 -9.129 26.536 1.139 1.00 24.70 H new ATOM 0 HD22 ASN B 25 -9.524 24.840 1.434 1.00 24.70 H new ATOM 2183 N VAL B 26 -5.884 21.394 2.338 1.00 6.52 N ATOM 2184 CA VAL B 26 -5.792 20.584 3.543 1.00 5.53 C ATOM 2185 C VAL B 26 -4.353 20.550 4.048 1.00 4.42 C ATOM 2186 O VAL B 26 -4.098 20.695 5.244 1.00 3.40 O ATOM 2187 CB VAL B 26 -6.275 19.139 3.293 1.00 3.86 C ATOM 2188 CG1 VAL B 26 -6.252 18.329 4.580 1.00 7.25 C ATOM 2189 CG2 VAL B 26 -7.669 19.129 2.686 1.00 8.12 C ATOM 0 H VAL B 26 -6.051 20.859 1.486 1.00 6.52 H new ATOM 0 HA VAL B 26 -6.438 21.041 4.293 1.00 5.53 H new ATOM 0 HB VAL B 26 -5.589 18.677 2.583 1.00 3.86 H new ATOM 0 HG11 VAL B 26 -6.597 17.315 4.378 1.00 7.25 H new ATOM 0 HG12 VAL B 26 -5.235 18.296 4.971 1.00 7.25 H new ATOM 0 HG13 VAL B 26 -6.908 18.795 5.315 1.00 7.25 H new ATOM 0 HG21 VAL B 26 -7.986 18.099 2.520 1.00 8.12 H new ATOM 0 HG22 VAL B 26 -8.366 19.618 3.367 1.00 8.12 H new ATOM 0 HG23 VAL B 26 -7.656 19.663 1.736 1.00 8.12 H new ATOM 2199 N LYS B 27 -3.417 20.380 3.120 1.00 2.64 N ATOM 2200 CA LYS B 27 -1.998 20.323 3.455 1.00 4.14 C ATOM 2201 C LYS B 27 -1.536 21.635 4.082 1.00 5.58 C ATOM 2202 O LYS B 27 -0.664 21.647 4.954 1.00 4.11 O ATOM 2203 CB LYS B 27 -1.165 20.007 2.210 1.00 3.97 C ATOM 2204 CG LYS B 27 -1.624 18.755 1.472 1.00 7.45 C ATOM 2205 CD LYS B 27 -0.457 18.000 0.848 1.00 9.02 C ATOM 2206 CE LYS B 27 0.399 18.901 -0.027 1.00 12.90 C ATOM 2207 NZ LYS B 27 1.120 18.132 -1.074 1.00 15.47 N ATOM 0 H LYS B 27 -3.617 20.279 2.125 1.00 2.64 H new ATOM 0 HA LYS B 27 -1.853 19.525 4.183 1.00 4.14 H new ATOM 0 HB2 LYS B 27 -1.208 20.857 1.529 1.00 3.97 H new ATOM 0 HB3 LYS B 27 -0.122 19.885 2.502 1.00 3.97 H new ATOM 0 HG2 LYS B 27 -2.151 18.099 2.164 1.00 7.45 H new ATOM 0 HG3 LYS B 27 -2.334 19.033 0.693 1.00 7.45 H new ATOM 0 HD2 LYS B 27 0.159 17.568 1.637 1.00 9.02 H new ATOM 0 HD3 LYS B 27 -0.838 17.171 0.252 1.00 9.02 H new ATOM 0 HE2 LYS B 27 -0.232 19.654 -0.499 1.00 12.90 H new ATOM 0 HE3 LYS B 27 1.120 19.433 0.594 1.00 12.90 H new ATOM 0 HZ1 LYS B 27 2.132 18.091 -0.839 1.00 15.47 H new ATOM 0 HZ2 LYS B 27 0.736 17.167 -1.122 1.00 15.47 H new ATOM 0 HZ3 LYS B 27 0.997 18.600 -1.995 1.00 15.47 H new ATOM 2221 N ALA B 28 -2.133 22.735 3.636 1.00 6.61 N ATOM 2222 CA ALA B 28 -1.804 24.052 4.161 1.00 7.74 C ATOM 2223 C ALA B 28 -2.153 24.140 5.642 1.00 9.17 C ATOM 2224 O ALA B 28 -1.432 24.756 6.426 1.00 11.45 O ATOM 2225 CB ALA B 28 -2.534 25.131 3.377 1.00 7.68 C ATOM 0 H ALA B 28 -2.849 22.739 2.910 1.00 6.61 H new ATOM 0 HA ALA B 28 -0.731 24.210 4.052 1.00 7.74 H new ATOM 0 HB1 ALA B 28 -2.278 26.110 3.781 1.00 7.68 H new ATOM 0 HB2 ALA B 28 -2.238 25.082 2.329 1.00 7.68 H new ATOM 0 HB3 ALA B 28 -3.610 24.975 3.458 1.00 7.68 H new ATOM 2231 N LYS B 29 -3.249 23.491 6.026 1.00 8.96 N ATOM 2232 CA LYS B 29 -3.686 23.489 7.419 1.00 7.90 C ATOM 2233 C LYS B 29 -2.698 22.709 8.279 1.00 6.92 C ATOM 2234 O LYS B 29 -2.474 23.037 9.443 1.00 6.87 O ATOM 2235 CB LYS B 29 -5.092 22.896 7.542 1.00 10.28 C ATOM 2236 CG LYS B 29 -6.128 23.623 6.700 1.00 14.94 C ATOM 2237 CD LYS B 29 -7.546 23.366 7.182 1.00 19.69 C ATOM 2238 CE LYS B 29 -8.555 24.096 6.309 1.00 22.63 C ATOM 2239 NZ LYS B 29 -9.931 24.045 6.868 1.00 24.98 N ATOM 0 H LYS B 29 -3.849 22.961 5.394 1.00 8.96 H new ATOM 0 HA LYS B 29 -3.719 24.519 7.774 1.00 7.90 H new ATOM 0 HB2 LYS B 29 -5.064 21.848 7.245 1.00 10.28 H new ATOM 0 HB3 LYS B 29 -5.400 22.923 8.587 1.00 10.28 H new ATOM 0 HG2 LYS B 29 -5.927 24.694 6.725 1.00 14.94 H new ATOM 0 HG3 LYS B 29 -6.037 23.306 5.661 1.00 14.94 H new ATOM 0 HD2 LYS B 29 -7.752 22.296 7.166 1.00 19.69 H new ATOM 0 HD3 LYS B 29 -7.648 23.695 8.216 1.00 19.69 H new ATOM 0 HE2 LYS B 29 -8.249 25.136 6.198 1.00 22.63 H new ATOM 0 HE3 LYS B 29 -8.554 23.655 5.312 1.00 22.63 H new ATOM 0 HZ1 LYS B 29 -10.623 24.140 6.097 1.00 24.98 H new ATOM 0 HZ2 LYS B 29 -10.075 23.136 7.353 1.00 24.98 H new ATOM 0 HZ3 LYS B 29 -10.059 24.823 7.546 1.00 24.98 H new ATOM 2253 N ILE B 30 -2.096 21.680 7.691 1.00 4.57 N ATOM 2254 CA ILE B 30 -1.112 20.868 8.395 1.00 5.58 C ATOM 2255 C ILE B 30 0.161 21.683 8.615 1.00 7.26 C ATOM 2256 O ILE B 30 0.892 21.483 9.590 1.00 9.46 O ATOM 2257 CB ILE B 30 -0.784 19.572 7.617 1.00 5.36 C ATOM 2258 CG1 ILE B 30 -2.080 18.845 7.242 1.00 2.94 C ATOM 2259 CG2 ILE B 30 0.119 18.664 8.445 1.00 2.78 C ATOM 2260 CD1 ILE B 30 -1.865 17.579 6.442 1.00 2.00 C ATOM 0 H ILE B 30 -2.273 21.390 6.729 1.00 4.57 H new ATOM 0 HA ILE B 30 -1.535 20.579 9.357 1.00 5.58 H new ATOM 0 HB ILE B 30 -0.253 19.837 6.703 1.00 5.36 H new ATOM 0 HG12 ILE B 30 -2.623 18.598 8.154 1.00 2.94 H new ATOM 0 HG13 ILE B 30 -2.712 19.523 6.668 1.00 2.94 H new ATOM 0 HG21 ILE B 30 0.339 17.757 7.881 1.00 2.78 H new ATOM 0 HG22 ILE B 30 1.049 19.185 8.672 1.00 2.78 H new ATOM 0 HG23 ILE B 30 -0.385 18.400 9.375 1.00 2.78 H new ATOM 0 HD11 ILE B 30 -2.829 17.123 6.216 1.00 2.00 H new ATOM 0 HD12 ILE B 30 -1.350 17.819 5.512 1.00 2.00 H new ATOM 0 HD13 ILE B 30 -1.261 16.881 7.021 1.00 2.00 H new ATOM 2272 N GLN B 31 0.399 22.626 7.711 1.00 7.06 N ATOM 2273 CA GLN B 31 1.561 23.503 7.796 1.00 8.67 C ATOM 2274 C GLN B 31 1.382 24.488 8.949 1.00 10.90 C ATOM 2275 O GLN B 31 2.350 24.921 9.573 1.00 9.63 O ATOM 2276 CB GLN B 31 1.751 24.265 6.480 1.00 9.12 C ATOM 2277 CG GLN B 31 2.914 25.247 6.499 1.00 10.76 C ATOM 2278 CD GLN B 31 2.904 26.186 5.309 1.00 13.78 C ATOM 2279 OE1 GLN B 31 2.484 25.817 4.213 1.00 14.48 O ATOM 2280 NE2 GLN B 31 3.363 27.409 5.515 1.00 14.76 N ATOM 0 H GLN B 31 -0.201 22.804 6.906 1.00 7.06 H new ATOM 0 HA GLN B 31 2.448 22.896 7.978 1.00 8.67 H new ATOM 0 HB2 GLN B 31 1.907 23.547 5.675 1.00 9.12 H new ATOM 0 HB3 GLN B 31 0.834 24.807 6.250 1.00 9.12 H new ATOM 0 HG2 GLN B 31 2.876 25.831 7.418 1.00 10.76 H new ATOM 0 HG3 GLN B 31 3.852 24.693 6.512 1.00 10.76 H new ATOM 0 HE21 GLN B 31 3.703 27.677 6.439 1.00 14.76 H new ATOM 0 HE22 GLN B 31 3.377 28.084 4.750 1.00 14.76 H new ATOM 2289 N ASP B 32 0.132 24.824 9.230 1.00 10.93 N ATOM 2290 CA ASP B 32 -0.189 25.752 10.307 1.00 14.01 C ATOM 2291 C ASP B 32 -0.243 25.024 11.648 1.00 14.04 C ATOM 2292 O ASP B 32 0.145 25.570 12.681 1.00 13.39 O ATOM 2293 CB ASP B 32 -1.529 26.439 10.029 1.00 18.01 C ATOM 2294 CG ASP B 32 -1.739 27.677 10.880 1.00 24.33 C ATOM 2295 OD1 ASP B 32 -1.217 28.751 10.510 1.00 25.17 O ATOM 2296 OD2 ASP B 32 -2.434 27.588 11.913 1.00 26.29 O ATOM 0 H ASP B 32 -0.680 24.467 8.726 1.00 10.93 H new ATOM 0 HA ASP B 32 0.595 26.507 10.355 1.00 14.01 H new ATOM 0 HB2 ASP B 32 -1.580 26.714 8.976 1.00 18.01 H new ATOM 0 HB3 ASP B 32 -2.339 25.734 10.214 1.00 18.01 H new ATOM 2301 N LYS B 33 -0.714 23.782 11.622 1.00 14.22 N ATOM 2302 CA LYS B 33 -0.821 22.977 12.835 1.00 14.00 C ATOM 2303 C LYS B 33 0.522 22.362 13.225 1.00 12.37 C ATOM 2304 O LYS B 33 1.158 22.795 14.186 1.00 12.17 O ATOM 2305 CB LYS B 33 -1.852 21.860 12.653 1.00 18.62 C ATOM 2306 CG LYS B 33 -3.289 22.340 12.704 1.00 24.00 C ATOM 2307 CD LYS B 33 -4.237 21.214 13.076 1.00 27.61 C ATOM 2308 CE LYS B 33 -5.674 21.698 13.130 1.00 27.64 C ATOM 2309 NZ LYS B 33 -6.594 20.676 13.698 1.00 30.06 N ATOM 0 H LYS B 33 -1.028 23.310 10.774 1.00 14.22 H new ATOM 0 HA LYS B 33 -1.142 23.645 13.634 1.00 14.00 H new ATOM 0 HB2 LYS B 33 -1.677 21.369 11.696 1.00 18.62 H new ATOM 0 HB3 LYS B 33 -1.702 21.109 13.429 1.00 18.62 H new ATOM 0 HG2 LYS B 33 -3.379 23.148 13.430 1.00 24.00 H new ATOM 0 HG3 LYS B 33 -3.572 22.750 11.734 1.00 24.00 H new ATOM 0 HD2 LYS B 33 -4.150 20.407 12.348 1.00 27.61 H new ATOM 0 HD3 LYS B 33 -3.953 20.802 14.044 1.00 27.61 H new ATOM 0 HE2 LYS B 33 -5.727 22.605 13.732 1.00 27.64 H new ATOM 0 HE3 LYS B 33 -6.004 21.962 12.125 1.00 27.64 H new ATOM 0 HZ1 LYS B 33 -7.525 21.106 13.872 1.00 30.06 H new ATOM 0 HZ2 LYS B 33 -6.696 19.889 13.026 1.00 30.06 H new ATOM 0 HZ3 LYS B 33 -6.205 20.318 14.594 1.00 30.06 H new ATOM 2323 N GLU B 34 0.950 21.362 12.464 1.00 10.11 N ATOM 2324 CA GLU B 34 2.201 20.664 12.735 1.00 10.07 C ATOM 2325 C GLU B 34 3.404 21.507 12.335 1.00 9.32 C ATOM 2326 O GLU B 34 4.452 21.453 12.975 1.00 11.61 O ATOM 2327 CB GLU B 34 2.237 19.333 11.987 1.00 14.77 C ATOM 2328 CG GLU B 34 1.086 18.406 12.339 1.00 18.75 C ATOM 2329 CD GLU B 34 1.123 17.944 13.780 1.00 22.28 C ATOM 2330 OE1 GLU B 34 0.633 18.679 14.658 1.00 25.19 O ATOM 2331 OE2 GLU B 34 1.636 16.837 14.048 1.00 21.95 O ATOM 0 H GLU B 34 0.445 21.014 11.649 1.00 10.11 H new ATOM 0 HA GLU B 34 2.252 20.480 13.808 1.00 10.07 H new ATOM 0 HB2 GLU B 34 2.221 19.528 10.915 1.00 14.77 H new ATOM 0 HB3 GLU B 34 3.178 18.829 12.205 1.00 14.77 H new ATOM 0 HG2 GLU B 34 0.143 18.918 12.151 1.00 18.75 H new ATOM 0 HG3 GLU B 34 1.113 17.536 11.683 1.00 18.75 H new ATOM 2338 N GLY B 35 3.251 22.274 11.267 1.00 7.22 N ATOM 2339 CA GLY B 35 4.337 23.117 10.805 1.00 6.29 C ATOM 2340 C GLY B 35 5.184 22.436 9.752 1.00 6.93 C ATOM 2341 O GLY B 35 6.377 22.705 9.636 1.00 7.41 O ATOM 0 H GLY B 35 2.397 22.329 10.712 1.00 7.22 H new ATOM 0 HA2 GLY B 35 3.928 24.042 10.397 1.00 6.29 H new ATOM 0 HA3 GLY B 35 4.966 23.392 11.652 1.00 6.29 H new ATOM 2345 N ILE B 36 4.568 21.550 8.985 1.00 5.86 N ATOM 2346 CA ILE B 36 5.275 20.825 7.939 1.00 6.07 C ATOM 2347 C ILE B 36 4.983 21.438 6.570 1.00 6.36 C ATOM 2348 O ILE B 36 3.821 21.651 6.227 1.00 6.18 O ATOM 2349 CB ILE B 36 4.868 19.337 7.913 1.00 7.47 C ATOM 2350 CG1 ILE B 36 4.729 18.789 9.334 1.00 8.52 C ATOM 2351 CG2 ILE B 36 5.893 18.527 7.134 1.00 7.36 C ATOM 2352 CD1 ILE B 36 4.024 17.451 9.398 1.00 9.49 C ATOM 0 H ILE B 36 3.579 21.315 9.067 1.00 5.86 H new ATOM 0 HA ILE B 36 6.340 20.899 8.159 1.00 6.07 H new ATOM 0 HB ILE B 36 3.901 19.253 7.417 1.00 7.47 H new ATOM 0 HG12 ILE B 36 5.721 18.690 9.775 1.00 8.52 H new ATOM 0 HG13 ILE B 36 4.180 19.509 9.941 1.00 8.52 H new ATOM 0 HG21 ILE B 36 5.595 17.478 7.122 1.00 7.36 H new ATOM 0 HG22 ILE B 36 5.950 18.899 6.111 1.00 7.36 H new ATOM 0 HG23 ILE B 36 6.869 18.622 7.610 1.00 7.36 H new ATOM 0 HD11 ILE B 36 3.961 17.122 10.435 1.00 9.49 H new ATOM 0 HD12 ILE B 36 3.019 17.549 8.986 1.00 9.49 H new ATOM 0 HD13 ILE B 36 4.584 16.717 8.818 1.00 9.49 H new ATOM 2364 N PRO B 37 6.027 21.747 5.780 1.00 8.65 N ATOM 2365 CA PRO B 37 5.858 22.323 4.440 1.00 9.18 C ATOM 2366 C PRO B 37 5.106 21.369 3.510 1.00 9.85 C ATOM 2367 O PRO B 37 5.409 20.175 3.465 1.00 8.51 O ATOM 2368 CB PRO B 37 7.293 22.527 3.938 1.00 11.42 C ATOM 2369 CG PRO B 37 8.154 22.467 5.152 1.00 9.27 C ATOM 2370 CD PRO B 37 7.445 21.571 6.126 1.00 8.33 C ATOM 0 HA PRO B 37 5.275 23.244 4.464 1.00 9.18 H new ATOM 0 HB2 PRO B 37 7.571 21.754 3.221 1.00 11.42 H new ATOM 0 HB3 PRO B 37 7.398 23.486 3.430 1.00 11.42 H new ATOM 0 HG2 PRO B 37 9.141 22.074 4.910 1.00 9.27 H new ATOM 0 HG3 PRO B 37 8.301 23.461 5.574 1.00 9.27 H new ATOM 0 HD2 PRO B 37 7.759 20.533 6.019 1.00 8.33 H new ATOM 0 HD3 PRO B 37 7.646 21.860 7.158 1.00 8.33 H new ATOM 2378 N PRO B 38 4.115 21.883 2.760 1.00 8.71 N ATOM 2379 CA PRO B 38 3.309 21.076 1.829 1.00 9.08 C ATOM 2380 C PRO B 38 4.149 20.316 0.800 1.00 9.28 C ATOM 2381 O PRO B 38 3.725 19.276 0.294 1.00 6.50 O ATOM 2382 CB PRO B 38 2.427 22.109 1.128 1.00 10.31 C ATOM 2383 CG PRO B 38 2.352 23.251 2.080 1.00 10.81 C ATOM 2384 CD PRO B 38 3.681 23.292 2.777 1.00 12.00 C ATOM 0 HA PRO B 38 2.756 20.301 2.360 1.00 9.08 H new ATOM 0 HB2 PRO B 38 2.858 22.416 0.175 1.00 10.31 H new ATOM 0 HB3 PRO B 38 1.437 21.705 0.915 1.00 10.31 H new ATOM 0 HG2 PRO B 38 2.157 24.186 1.554 1.00 10.81 H new ATOM 0 HG3 PRO B 38 1.540 23.112 2.794 1.00 10.81 H new ATOM 0 HD2 PRO B 38 4.389 23.937 2.257 1.00 12.00 H new ATOM 0 HD3 PRO B 38 3.590 23.673 3.794 1.00 12.00 H new ATOM 2392 N ASP B 39 5.338 20.832 0.501 1.00 11.20 N ATOM 2393 CA ASP B 39 6.229 20.192 -0.469 1.00 14.96 C ATOM 2394 C ASP B 39 6.750 18.863 0.059 1.00 13.99 C ATOM 2395 O ASP B 39 7.129 17.983 -0.709 1.00 13.75 O ATOM 2396 CB ASP B 39 7.410 21.098 -0.810 1.00 24.16 C ATOM 2397 CG ASP B 39 7.264 21.741 -2.171 1.00 31.06 C ATOM 2398 OD1 ASP B 39 7.500 21.057 -3.188 1.00 35.55 O ATOM 2399 OD2 ASP B 39 6.914 22.938 -2.231 1.00 34.22 O ATOM 0 H ASP B 39 5.708 21.688 0.913 1.00 11.20 H new ATOM 0 HA ASP B 39 5.646 20.011 -1.372 1.00 14.96 H new ATOM 0 HB2 ASP B 39 7.500 21.875 -0.051 1.00 24.16 H new ATOM 0 HB3 ASP B 39 8.331 20.516 -0.782 1.00 24.16 H new ATOM 2404 N GLN B 40 6.769 18.724 1.374 1.00 11.60 N ATOM 2405 CA GLN B 40 7.241 17.501 2.005 1.00 10.76 C ATOM 2406 C GLN B 40 6.064 16.661 2.480 1.00 8.01 C ATOM 2407 O GLN B 40 6.233 15.701 3.228 1.00 8.96 O ATOM 2408 CB GLN B 40 8.165 17.828 3.179 1.00 11.14 C ATOM 2409 CG GLN B 40 9.459 18.508 2.761 1.00 14.85 C ATOM 2410 CD GLN B 40 10.351 18.843 3.939 1.00 16.11 C ATOM 2411 OE1 GLN B 40 10.255 19.922 4.522 1.00 20.52 O ATOM 2412 NE2 GLN B 40 11.218 17.916 4.304 1.00 18.16 N ATOM 0 H GLN B 40 6.462 19.445 2.028 1.00 11.60 H new ATOM 0 HA GLN B 40 7.804 16.928 1.268 1.00 10.76 H new ATOM 0 HB2 GLN B 40 7.635 18.473 3.880 1.00 11.14 H new ATOM 0 HB3 GLN B 40 8.403 16.907 3.711 1.00 11.14 H new ATOM 0 HG2 GLN B 40 10.001 17.858 2.074 1.00 14.85 H new ATOM 0 HG3 GLN B 40 9.224 19.423 2.217 1.00 14.85 H new ATOM 0 HE21 GLN B 40 11.266 17.034 3.794 1.00 18.16 H new ATOM 0 HE22 GLN B 40 11.839 18.082 5.096 1.00 18.16 H new ATOM 2421 N GLN B 41 4.871 17.030 2.033 1.00 6.52 N ATOM 2422 CA GLN B 41 3.660 16.320 2.410 1.00 3.87 C ATOM 2423 C GLN B 41 3.138 15.482 1.251 1.00 4.79 C ATOM 2424 O GLN B 41 2.795 16.016 0.193 1.00 6.34 O ATOM 2425 CB GLN B 41 2.570 17.302 2.838 1.00 4.20 C ATOM 2426 CG GLN B 41 2.865 18.062 4.119 1.00 3.20 C ATOM 2427 CD GLN B 41 1.657 18.844 4.590 1.00 4.89 C ATOM 2428 OE1 GLN B 41 0.522 18.413 4.407 1.00 5.21 O ATOM 2429 NE2 GLN B 41 1.883 20.003 5.182 1.00 7.13 N ATOM 0 H GLN B 41 4.718 17.820 1.407 1.00 6.52 H new ATOM 0 HA GLN B 41 3.911 15.666 3.245 1.00 3.87 H new ATOM 0 HB2 GLN B 41 2.412 18.021 2.034 1.00 4.20 H new ATOM 0 HB3 GLN B 41 1.636 16.754 2.964 1.00 4.20 H new ATOM 0 HG2 GLN B 41 3.172 17.362 4.896 1.00 3.20 H new ATOM 0 HG3 GLN B 41 3.700 18.743 3.955 1.00 3.20 H new ATOM 0 HE21 GLN B 41 2.840 20.329 5.317 1.00 7.13 H new ATOM 0 HE22 GLN B 41 1.100 20.572 5.504 1.00 7.13 H new ATOM 2438 N ARG B 42 3.096 14.172 1.447 1.00 5.73 N ATOM 2439 CA ARG B 42 2.589 13.256 0.435 1.00 6.97 C ATOM 2440 C ARG B 42 1.359 12.540 0.976 1.00 7.15 C ATOM 2441 O ARG B 42 1.465 11.680 1.855 1.00 7.33 O ATOM 2442 CB ARG B 42 3.665 12.242 0.037 1.00 13.23 C ATOM 2443 CG ARG B 42 4.994 12.885 -0.329 1.00 21.27 C ATOM 2444 CD ARG B 42 6.169 12.100 0.229 1.00 26.14 C ATOM 2445 NE ARG B 42 6.586 11.018 -0.660 1.00 32.26 N ATOM 2446 CZ ARG B 42 7.483 10.091 -0.336 1.00 34.32 C ATOM 2447 NH1 ARG B 42 8.025 10.077 0.876 1.00 35.30 N ATOM 2448 NH2 ARG B 42 7.843 9.175 -1.226 1.00 36.39 N ATOM 0 H ARG B 42 3.409 13.717 2.304 1.00 5.73 H new ATOM 0 HA ARG B 42 2.315 13.823 -0.455 1.00 6.97 H new ATOM 0 HB2 ARG B 42 3.821 11.546 0.861 1.00 13.23 H new ATOM 0 HB3 ARG B 42 3.307 11.657 -0.810 1.00 13.23 H new ATOM 0 HG2 ARG B 42 5.081 12.949 -1.414 1.00 21.27 H new ATOM 0 HG3 ARG B 42 5.023 13.905 0.054 1.00 21.27 H new ATOM 0 HD2 ARG B 42 7.008 12.775 0.394 1.00 26.14 H new ATOM 0 HD3 ARG B 42 5.898 11.685 1.200 1.00 26.14 H new ATOM 0 HE ARG B 42 6.163 10.971 -1.587 1.00 32.26 H new ATOM 0 HH11 ARG B 42 7.754 10.780 1.564 1.00 35.30 H new ATOM 0 HH12 ARG B 42 8.712 9.364 1.119 1.00 35.30 H new ATOM 0 HH21 ARG B 42 7.432 9.181 -2.159 1.00 36.39 H new ATOM 0 HH22 ARG B 42 8.531 8.464 -0.977 1.00 36.39 H new ATOM 2462 N LEU B 43 0.195 12.925 0.477 1.00 4.65 N ATOM 2463 CA LEU B 43 -1.059 12.328 0.913 1.00 3.51 C ATOM 2464 C LEU B 43 -1.442 11.154 0.016 1.00 5.56 C ATOM 2465 O LEU B 43 -1.325 11.228 -1.213 1.00 4.19 O ATOM 2466 CB LEU B 43 -2.172 13.381 0.926 1.00 3.74 C ATOM 2467 CG LEU B 43 -2.257 14.230 2.199 1.00 6.32 C ATOM 2468 CD1 LEU B 43 -3.244 15.371 2.016 1.00 9.55 C ATOM 2469 CD2 LEU B 43 -2.653 13.370 3.391 1.00 6.41 C ATOM 0 H LEU B 43 0.092 13.650 -0.233 1.00 4.65 H new ATOM 0 HA LEU B 43 -0.925 11.950 1.926 1.00 3.51 H new ATOM 0 HB2 LEU B 43 -2.030 14.046 0.074 1.00 3.74 H new ATOM 0 HB3 LEU B 43 -3.128 12.877 0.781 1.00 3.74 H new ATOM 0 HG LEU B 43 -1.272 14.655 2.393 1.00 6.32 H new ATOM 0 HD11 LEU B 43 -3.290 15.962 2.931 1.00 9.55 H new ATOM 0 HD12 LEU B 43 -2.919 16.004 1.191 1.00 9.55 H new ATOM 0 HD13 LEU B 43 -4.232 14.966 1.795 1.00 9.55 H new ATOM 0 HD21 LEU B 43 -2.708 13.991 4.285 1.00 6.41 H new ATOM 0 HD22 LEU B 43 -3.626 12.915 3.204 1.00 6.41 H new ATOM 0 HD23 LEU B 43 -1.909 12.587 3.538 1.00 6.41 H new ATOM 2481 N ILE B 44 -1.897 10.072 0.636 1.00 4.58 N ATOM 2482 CA ILE B 44 -2.281 8.868 -0.091 1.00 5.55 C ATOM 2483 C ILE B 44 -3.722 8.479 0.228 1.00 5.46 C ATOM 2484 O ILE B 44 -4.245 8.813 1.294 1.00 6.04 O ATOM 2485 CB ILE B 44 -1.358 7.675 0.251 1.00 6.80 C ATOM 2486 CG1 ILE B 44 0.066 8.156 0.532 1.00 10.31 C ATOM 2487 CG2 ILE B 44 -1.353 6.657 -0.882 1.00 7.39 C ATOM 2488 CD1 ILE B 44 0.376 8.299 2.005 1.00 13.90 C ATOM 0 H ILE B 44 -2.010 10.004 1.647 1.00 4.58 H new ATOM 0 HA ILE B 44 -2.185 9.097 -1.152 1.00 5.55 H new ATOM 0 HB ILE B 44 -1.746 7.195 1.149 1.00 6.80 H new ATOM 0 HG12 ILE B 44 0.772 7.455 0.087 1.00 10.31 H new ATOM 0 HG13 ILE B 44 0.219 9.117 0.042 1.00 10.31 H new ATOM 0 HG21 ILE B 44 -0.698 5.826 -0.621 1.00 7.39 H new ATOM 0 HG22 ILE B 44 -2.365 6.285 -1.041 1.00 7.39 H new ATOM 0 HG23 ILE B 44 -0.993 7.131 -1.795 1.00 7.39 H new ATOM 0 HD11 ILE B 44 1.403 8.644 2.129 1.00 13.90 H new ATOM 0 HD12 ILE B 44 -0.306 9.022 2.452 1.00 13.90 H new ATOM 0 HD13 ILE B 44 0.255 7.334 2.498 1.00 13.90 H new ATOM 2500 N PHE B 45 -4.361 7.791 -0.709 1.00 6.75 N ATOM 2501 CA PHE B 45 -5.731 7.344 -0.540 1.00 4.70 C ATOM 2502 C PHE B 45 -5.941 6.010 -1.248 1.00 6.34 C ATOM 2503 O PHE B 45 -6.180 5.970 -2.455 1.00 5.45 O ATOM 2504 CB PHE B 45 -6.701 8.392 -1.088 1.00 5.51 C ATOM 2505 CG PHE B 45 -8.134 8.170 -0.692 1.00 5.98 C ATOM 2506 CD1 PHE B 45 -8.576 8.524 0.572 1.00 6.86 C ATOM 2507 CD2 PHE B 45 -9.038 7.620 -1.585 1.00 5.87 C ATOM 2508 CE1 PHE B 45 -9.894 8.333 0.939 1.00 6.68 C ATOM 2509 CE2 PHE B 45 -10.358 7.423 -1.224 1.00 6.64 C ATOM 2510 CZ PHE B 45 -10.786 7.780 0.039 1.00 6.84 C ATOM 0 H PHE B 45 -3.944 7.530 -1.602 1.00 6.75 H new ATOM 0 HA PHE B 45 -5.926 7.210 0.524 1.00 4.70 H new ATOM 0 HB2 PHE B 45 -6.388 9.377 -0.742 1.00 5.51 H new ATOM 0 HB3 PHE B 45 -6.633 8.400 -2.176 1.00 5.51 H new ATOM 0 HD1 PHE B 45 -7.882 8.954 1.279 1.00 6.86 H new ATOM 0 HD2 PHE B 45 -8.708 7.342 -2.575 1.00 5.87 H new ATOM 0 HE1 PHE B 45 -10.227 8.615 1.927 1.00 6.68 H new ATOM 0 HE2 PHE B 45 -11.053 6.991 -1.929 1.00 6.64 H new ATOM 0 HZ PHE B 45 -11.817 7.627 0.324 1.00 6.84 H new ATOM 2520 N ALA B 46 -5.809 4.927 -0.488 1.00 6.53 N ATOM 2521 CA ALA B 46 -5.999 3.566 -0.993 1.00 7.15 C ATOM 2522 C ALA B 46 -5.040 3.226 -2.135 1.00 9.00 C ATOM 2523 O ALA B 46 -5.468 2.872 -3.235 1.00 11.15 O ATOM 2524 CB ALA B 46 -7.447 3.350 -1.423 1.00 8.99 C ATOM 0 H ALA B 46 -5.566 4.966 0.502 1.00 6.53 H new ATOM 0 HA ALA B 46 -5.768 2.887 -0.172 1.00 7.15 H new ATOM 0 HB1 ALA B 46 -7.568 2.333 -1.795 1.00 8.99 H new ATOM 0 HB2 ALA B 46 -8.107 3.505 -0.569 1.00 8.99 H new ATOM 0 HB3 ALA B 46 -7.702 4.058 -2.212 1.00 8.99 H new ATOM 2530 N GLY B 47 -3.743 3.335 -1.862 1.00 9.35 N ATOM 2531 CA GLY B 47 -2.734 3.017 -2.860 1.00 11.68 C ATOM 2532 C GLY B 47 -2.708 3.991 -4.024 1.00 11.14 C ATOM 2533 O GLY B 47 -2.139 3.696 -5.076 1.00 13.93 O ATOM 0 H GLY B 47 -3.370 3.639 -0.963 1.00 9.35 H new ATOM 0 HA2 GLY B 47 -1.754 3.006 -2.384 1.00 11.68 H new ATOM 0 HA3 GLY B 47 -2.915 2.012 -3.241 1.00 11.68 H new ATOM 2537 N LYS B 48 -3.329 5.145 -3.845 1.00 10.47 N ATOM 2538 CA LYS B 48 -3.366 6.162 -4.884 1.00 8.82 C ATOM 2539 C LYS B 48 -2.925 7.498 -4.313 1.00 7.68 C ATOM 2540 O LYS B 48 -3.304 7.854 -3.199 1.00 6.47 O ATOM 2541 CB LYS B 48 -4.772 6.282 -5.474 1.00 9.74 C ATOM 2542 CG LYS B 48 -5.248 5.026 -6.186 1.00 14.14 C ATOM 2543 CD LYS B 48 -6.743 5.068 -6.461 1.00 16.32 C ATOM 2544 CE LYS B 48 -7.551 4.954 -5.178 1.00 20.04 C ATOM 2545 NZ LYS B 48 -9.011 5.034 -5.434 1.00 23.92 N ATOM 0 H LYS B 48 -3.816 5.402 -2.987 1.00 10.47 H new ATOM 0 HA LYS B 48 -2.683 5.869 -5.681 1.00 8.82 H new ATOM 0 HB2 LYS B 48 -5.472 6.522 -4.674 1.00 9.74 H new ATOM 0 HB3 LYS B 48 -4.791 7.116 -6.176 1.00 9.74 H new ATOM 0 HG2 LYS B 48 -4.708 4.914 -7.126 1.00 14.14 H new ATOM 0 HG3 LYS B 48 -5.014 4.152 -5.578 1.00 14.14 H new ATOM 0 HD2 LYS B 48 -6.994 5.999 -6.968 1.00 16.32 H new ATOM 0 HD3 LYS B 48 -7.013 4.255 -7.135 1.00 16.32 H new ATOM 0 HE2 LYS B 48 -7.320 4.009 -4.686 1.00 20.04 H new ATOM 0 HE3 LYS B 48 -7.258 5.750 -4.493 1.00 20.04 H new ATOM 0 HZ1 LYS B 48 -9.526 4.952 -4.534 1.00 23.92 H new ATOM 0 HZ2 LYS B 48 -9.236 5.946 -5.880 1.00 23.92 H new ATOM 0 HZ3 LYS B 48 -9.295 4.260 -6.067 1.00 23.92 H new ATOM 2559 N GLN B 49 -2.125 8.231 -5.068 1.00 8.89 N ATOM 2560 CA GLN B 49 -1.635 9.523 -4.613 1.00 7.18 C ATOM 2561 C GLN B 49 -2.723 10.577 -4.738 1.00 8.23 C ATOM 2562 O GLN B 49 -3.418 10.644 -5.754 1.00 9.70 O ATOM 2563 CB GLN B 49 -0.409 9.951 -5.421 1.00 11.67 C ATOM 2564 CG GLN B 49 0.608 8.844 -5.629 1.00 15.82 C ATOM 2565 CD GLN B 49 1.857 9.330 -6.341 1.00 20.21 C ATOM 2566 OE1 GLN B 49 2.420 8.626 -7.179 1.00 23.23 O ATOM 2567 NE2 GLN B 49 2.300 10.537 -6.015 1.00 20.67 N ATOM 0 H GLN B 49 -1.801 7.956 -5.995 1.00 8.89 H new ATOM 0 HA GLN B 49 -1.350 9.426 -3.565 1.00 7.18 H new ATOM 0 HB2 GLN B 49 -0.737 10.317 -6.394 1.00 11.67 H new ATOM 0 HB3 GLN B 49 0.075 10.785 -4.913 1.00 11.67 H new ATOM 0 HG2 GLN B 49 0.885 8.423 -4.663 1.00 15.82 H new ATOM 0 HG3 GLN B 49 0.153 8.041 -6.208 1.00 15.82 H new ATOM 0 HE21 GLN B 49 1.805 11.090 -5.315 1.00 20.67 H new ATOM 0 HE22 GLN B 49 3.135 10.912 -6.464 1.00 20.67 H new ATOM 2576 N LEU B 50 -2.873 11.385 -3.702 1.00 6.51 N ATOM 2577 CA LEU B 50 -3.872 12.441 -3.696 1.00 7.41 C ATOM 2578 C LEU B 50 -3.361 13.662 -4.447 1.00 8.27 C ATOM 2579 O LEU B 50 -2.324 14.230 -4.099 1.00 8.34 O ATOM 2580 CB LEU B 50 -4.250 12.818 -2.259 1.00 7.13 C ATOM 2581 CG LEU B 50 -5.153 11.809 -1.541 1.00 7.53 C ATOM 2582 CD1 LEU B 50 -5.321 12.174 -0.078 1.00 8.14 C ATOM 2583 CD2 LEU B 50 -6.511 11.737 -2.212 1.00 9.11 C ATOM 0 H LEU B 50 -2.313 11.330 -2.851 1.00 6.51 H new ATOM 0 HA LEU B 50 -4.764 12.071 -4.201 1.00 7.41 H new ATOM 0 HB2 LEU B 50 -3.335 12.941 -1.679 1.00 7.13 H new ATOM 0 HB3 LEU B 50 -4.751 13.786 -2.273 1.00 7.13 H new ATOM 0 HG LEU B 50 -4.674 10.832 -1.602 1.00 7.53 H new ATOM 0 HD11 LEU B 50 -5.966 11.442 0.408 1.00 8.14 H new ATOM 0 HD12 LEU B 50 -4.346 12.179 0.410 1.00 8.14 H new ATOM 0 HD13 LEU B 50 -5.771 13.163 0.001 1.00 8.14 H new ATOM 0 HD21 LEU B 50 -7.138 11.015 -1.688 1.00 9.11 H new ATOM 0 HD22 LEU B 50 -6.984 12.718 -2.182 1.00 9.11 H new ATOM 0 HD23 LEU B 50 -6.388 11.425 -3.249 1.00 9.11 H new ATOM 2595 N GLU B 51 -4.082 14.037 -5.493 1.00 9.43 N ATOM 2596 CA GLU B 51 -3.725 15.191 -6.303 1.00 11.90 C ATOM 2597 C GLU B 51 -4.044 16.479 -5.557 1.00 11.49 C ATOM 2598 O GLU B 51 -5.177 16.690 -5.122 1.00 9.88 O ATOM 2599 CB GLU B 51 -4.486 15.165 -7.623 1.00 16.56 C ATOM 2600 CG GLU B 51 -3.993 14.122 -8.610 1.00 26.06 C ATOM 2601 CD GLU B 51 -5.003 13.843 -9.701 1.00 29.86 C ATOM 2602 OE1 GLU B 51 -5.291 14.752 -10.506 1.00 33.44 O ATOM 2603 OE2 GLU B 51 -5.524 12.710 -9.756 1.00 32.13 O ATOM 0 H GLU B 51 -4.925 13.554 -5.802 1.00 9.43 H new ATOM 0 HA GLU B 51 -2.655 15.151 -6.506 1.00 11.90 H new ATOM 0 HB2 GLU B 51 -5.541 14.983 -7.417 1.00 16.56 H new ATOM 0 HB3 GLU B 51 -4.417 16.149 -8.088 1.00 16.56 H new ATOM 0 HG2 GLU B 51 -3.060 14.462 -9.060 1.00 26.06 H new ATOM 0 HG3 GLU B 51 -3.771 13.197 -8.078 1.00 26.06 H new ATOM 2610 N ASP B 52 -3.051 17.351 -5.450 1.00 12.71 N ATOM 2611 CA ASP B 52 -3.200 18.621 -4.740 1.00 16.56 C ATOM 2612 C ASP B 52 -4.201 19.546 -5.428 1.00 15.83 C ATOM 2613 O ASP B 52 -4.690 20.502 -4.822 1.00 17.21 O ATOM 2614 CB ASP B 52 -1.848 19.328 -4.634 1.00 21.05 C ATOM 2615 CG ASP B 52 -1.061 18.919 -3.406 1.00 25.12 C ATOM 2616 OD1 ASP B 52 -1.639 18.888 -2.306 1.00 28.37 O ATOM 2617 OD2 ASP B 52 0.153 18.640 -3.535 1.00 25.82 O ATOM 0 H ASP B 52 -2.124 17.203 -5.849 1.00 12.71 H new ATOM 0 HA ASP B 52 -3.579 18.391 -3.744 1.00 16.56 H new ATOM 0 HB2 ASP B 52 -1.259 19.110 -5.525 1.00 21.05 H new ATOM 0 HB3 ASP B 52 -2.008 20.406 -4.614 1.00 21.05 H new ATOM 2622 N GLY B 53 -4.501 19.267 -6.687 1.00 15.00 N ATOM 2623 CA GLY B 53 -5.433 20.097 -7.426 1.00 11.77 C ATOM 2624 C GLY B 53 -6.860 19.583 -7.399 1.00 11.10 C ATOM 2625 O GLY B 53 -7.741 20.174 -8.020 1.00 11.25 O ATOM 0 H GLY B 53 -4.117 18.481 -7.212 1.00 15.00 H new ATOM 0 HA2 GLY B 53 -5.412 21.106 -7.015 1.00 11.77 H new ATOM 0 HA3 GLY B 53 -5.101 20.167 -8.462 1.00 11.77 H new ATOM 2629 N ARG B 54 -7.105 18.494 -6.684 1.00 8.53 N ATOM 2630 CA ARG B 54 -8.451 17.930 -6.608 1.00 9.05 C ATOM 2631 C ARG B 54 -9.078 18.224 -5.254 1.00 8.96 C ATOM 2632 O ARG B 54 -8.387 18.622 -4.315 1.00 11.60 O ATOM 2633 CB ARG B 54 -8.426 16.421 -6.848 1.00 7.97 C ATOM 2634 CG ARG B 54 -7.675 16.003 -8.102 1.00 9.62 C ATOM 2635 CD ARG B 54 -8.333 16.519 -9.370 1.00 12.20 C ATOM 2636 NE ARG B 54 -7.443 16.396 -10.524 1.00 18.23 N ATOM 2637 CZ ARG B 54 -7.567 17.104 -11.642 1.00 22.08 C ATOM 2638 NH1 ARG B 54 -8.555 17.979 -11.774 1.00 25.50 N ATOM 2639 NH2 ARG B 54 -6.700 16.939 -12.630 1.00 23.38 N ATOM 0 H ARG B 54 -6.399 17.985 -6.152 1.00 8.53 H new ATOM 0 HA ARG B 54 -9.052 18.397 -7.388 1.00 9.05 H new ATOM 0 HB2 ARG B 54 -7.970 15.935 -5.986 1.00 7.97 H new ATOM 0 HB3 ARG B 54 -9.452 16.058 -6.914 1.00 7.97 H new ATOM 0 HG2 ARG B 54 -6.652 16.374 -8.050 1.00 9.62 H new ATOM 0 HG3 ARG B 54 -7.618 14.915 -8.142 1.00 9.62 H new ATOM 0 HD2 ARG B 54 -9.252 15.963 -9.557 1.00 12.20 H new ATOM 0 HD3 ARG B 54 -8.614 17.563 -9.236 1.00 12.20 H new ATOM 0 HE ARG B 54 -6.678 15.724 -10.467 1.00 18.23 H new ATOM 0 HH11 ARG B 54 -9.224 18.111 -11.015 1.00 25.50 H new ATOM 0 HH12 ARG B 54 -8.646 18.520 -12.634 1.00 25.50 H new ATOM 0 HH21 ARG B 54 -5.937 16.269 -12.533 1.00 23.38 H new ATOM 0 HH22 ARG B 54 -6.795 17.482 -13.488 1.00 23.38 H new ATOM 2653 N THR B 55 -10.384 18.028 -5.153 1.00 9.05 N ATOM 2654 CA THR B 55 -11.093 18.272 -3.907 1.00 9.03 C ATOM 2655 C THR B 55 -11.363 16.966 -3.171 1.00 8.15 C ATOM 2656 O THR B 55 -11.062 15.883 -3.678 1.00 5.91 O ATOM 2657 CB THR B 55 -12.430 19.002 -4.151 1.00 11.15 C ATOM 2658 OG1 THR B 55 -13.294 18.204 -4.974 1.00 11.95 O ATOM 2659 CG2 THR B 55 -12.198 20.349 -4.817 1.00 11.71 C ATOM 0 H THR B 55 -10.974 17.701 -5.918 1.00 9.05 H new ATOM 0 HA THR B 55 -10.453 18.907 -3.295 1.00 9.03 H new ATOM 0 HB THR B 55 -12.904 19.164 -3.183 1.00 11.15 H new ATOM 0 HG1 THR B 55 -12.930 18.158 -5.883 1.00 11.95 H new ATOM 0 HG21 THR B 55 -13.155 20.845 -4.979 1.00 11.71 H new ATOM 0 HG22 THR B 55 -11.572 20.969 -4.175 1.00 11.71 H new ATOM 0 HG23 THR B 55 -11.700 20.200 -5.775 1.00 11.71 H new ATOM 2667 N LEU B 56 -11.926 17.072 -1.975 1.00 6.91 N ATOM 2668 CA LEU B 56 -12.251 15.898 -1.178 1.00 8.29 C ATOM 2669 C LEU B 56 -13.326 15.068 -1.872 1.00 8.05 C ATOM 2670 O LEU B 56 -13.293 13.836 -1.846 1.00 10.17 O ATOM 2671 CB LEU B 56 -12.721 16.315 0.219 1.00 6.60 C ATOM 2672 CG LEU B 56 -11.710 17.127 1.032 1.00 7.73 C ATOM 2673 CD1 LEU B 56 -12.255 17.402 2.422 1.00 9.85 C ATOM 2674 CD2 LEU B 56 -10.377 16.397 1.117 1.00 8.64 C ATOM 0 H LEU B 56 -12.167 17.960 -1.535 1.00 6.91 H new ATOM 0 HA LEU B 56 -11.353 15.289 -1.075 1.00 8.29 H new ATOM 0 HB2 LEU B 56 -13.635 16.900 0.118 1.00 6.60 H new ATOM 0 HB3 LEU B 56 -12.978 15.417 0.781 1.00 6.60 H new ATOM 0 HG LEU B 56 -11.545 18.079 0.527 1.00 7.73 H new ATOM 0 HD11 LEU B 56 -11.527 17.980 2.991 1.00 9.85 H new ATOM 0 HD12 LEU B 56 -13.184 17.966 2.343 1.00 9.85 H new ATOM 0 HD13 LEU B 56 -12.446 16.457 2.931 1.00 9.85 H new ATOM 0 HD21 LEU B 56 -9.673 16.992 1.699 1.00 8.64 H new ATOM 0 HD22 LEU B 56 -10.522 15.430 1.600 1.00 8.64 H new ATOM 0 HD23 LEU B 56 -9.981 16.245 0.113 1.00 8.64 H new ATOM 2686 N SER B 57 -14.259 15.755 -2.520 1.00 8.92 N ATOM 2687 CA SER B 57 -15.344 15.093 -3.236 1.00 9.00 C ATOM 2688 C SER B 57 -14.812 14.313 -4.438 1.00 9.44 C ATOM 2689 O SER B 57 -15.423 13.337 -4.876 1.00 10.91 O ATOM 2690 CB SER B 57 -16.378 16.126 -3.694 1.00 10.32 C ATOM 2691 OG SER B 57 -16.793 16.947 -2.615 1.00 13.59 O ATOM 0 H SER B 57 -14.286 16.774 -2.565 1.00 8.92 H new ATOM 0 HA SER B 57 -15.820 14.387 -2.556 1.00 9.00 H new ATOM 0 HB2 SER B 57 -15.952 16.746 -4.483 1.00 10.32 H new ATOM 0 HB3 SER B 57 -17.242 15.616 -4.120 1.00 10.32 H new ATOM 0 HG SER B 57 -16.072 17.568 -2.381 1.00 13.59 H new ATOM 2697 N ASP B 58 -13.655 14.732 -4.949 1.00 9.11 N ATOM 2698 CA ASP B 58 -13.034 14.082 -6.104 1.00 7.91 C ATOM 2699 C ASP B 58 -12.703 12.628 -5.801 1.00 9.12 C ATOM 2700 O ASP B 58 -12.777 11.765 -6.678 1.00 8.61 O ATOM 2701 CB ASP B 58 -11.754 14.812 -6.513 1.00 8.41 C ATOM 2702 CG ASP B 58 -12.002 15.923 -7.508 1.00 11.50 C ATOM 2703 OD1 ASP B 58 -12.267 17.068 -7.078 1.00 11.70 O ATOM 2704 OD2 ASP B 58 -11.922 15.661 -8.721 1.00 10.05 O ATOM 0 H ASP B 58 -13.126 15.522 -4.580 1.00 9.11 H new ATOM 0 HA ASP B 58 -13.751 14.121 -6.924 1.00 7.91 H new ATOM 0 HB2 ASP B 58 -11.279 15.227 -5.624 1.00 8.41 H new ATOM 0 HB3 ASP B 58 -11.055 14.095 -6.943 1.00 8.41 H new ATOM 2709 N TYR B 59 -12.338 12.363 -4.556 1.00 7.97 N ATOM 2710 CA TYR B 59 -11.993 11.013 -4.133 1.00 8.45 C ATOM 2711 C TYR B 59 -13.092 10.431 -3.256 1.00 10.98 C ATOM 2712 O TYR B 59 -12.918 9.379 -2.638 1.00 12.95 O ATOM 2713 CB TYR B 59 -10.661 11.022 -3.383 1.00 7.94 C ATOM 2714 CG TYR B 59 -9.492 11.454 -4.236 1.00 6.91 C ATOM 2715 CD1 TYR B 59 -8.778 10.532 -4.987 1.00 4.59 C ATOM 2716 CD2 TYR B 59 -9.100 12.788 -4.286 1.00 6.98 C ATOM 2717 CE1 TYR B 59 -7.705 10.922 -5.764 1.00 5.39 C ATOM 2718 CE2 TYR B 59 -8.029 13.187 -5.062 1.00 6.52 C ATOM 2719 CZ TYR B 59 -7.335 12.251 -5.796 1.00 6.76 C ATOM 2720 OH TYR B 59 -6.266 12.646 -6.566 1.00 7.63 O ATOM 0 H TYR B 59 -12.273 13.066 -3.819 1.00 7.97 H new ATOM 0 HA TYR B 59 -11.893 10.385 -5.018 1.00 8.45 H new ATOM 0 HB2 TYR B 59 -10.741 11.690 -2.525 1.00 7.94 H new ATOM 0 HB3 TYR B 59 -10.466 10.023 -2.993 1.00 7.94 H new ATOM 0 HD1 TYR B 59 -9.066 9.491 -4.964 1.00 4.59 H new ATOM 0 HD2 TYR B 59 -9.641 13.523 -3.709 1.00 6.98 H new ATOM 0 HE1 TYR B 59 -7.159 10.192 -6.343 1.00 5.39 H new ATOM 0 HE2 TYR B 59 -7.738 14.227 -5.093 1.00 6.52 H new ATOM 0 HH TYR B 59 -6.592 13.029 -7.407 1.00 7.63 H new ATOM 2730 N ASN B 60 -14.225 11.126 -3.219 1.00 12.38 N ATOM 2731 CA ASN B 60 -15.382 10.709 -2.430 1.00 13.94 C ATOM 2732 C ASN B 60 -15.035 10.616 -0.951 1.00 14.16 C ATOM 2733 O ASN B 60 -15.528 9.738 -0.236 1.00 14.26 O ATOM 2734 CB ASN B 60 -15.932 9.368 -2.928 1.00 19.23 C ATOM 2735 CG ASN B 60 -16.386 9.425 -4.372 1.00 22.65 C ATOM 2736 OD1 ASN B 60 -16.825 10.468 -4.862 1.00 25.45 O ATOM 2737 ND2 ASN B 60 -16.284 8.303 -5.068 1.00 24.09 N ATOM 0 H ASN B 60 -14.368 11.994 -3.735 1.00 12.38 H new ATOM 0 HA ASN B 60 -16.154 11.469 -2.555 1.00 13.94 H new ATOM 0 HB2 ASN B 60 -15.163 8.603 -2.823 1.00 19.23 H new ATOM 0 HB3 ASN B 60 -16.770 9.067 -2.299 1.00 19.23 H new ATOM 0 HD21 ASN B 60 -16.574 8.281 -6.046 1.00 24.09 H new ATOM 0 HD22 ASN B 60 -15.916 7.461 -4.626 1.00 24.09 H new ATOM 2744 N ILE B 61 -14.183 11.526 -0.496 1.00 11.08 N ATOM 2745 CA ILE B 61 -13.772 11.562 0.898 1.00 11.78 C ATOM 2746 C ILE B 61 -14.911 12.099 1.756 1.00 13.74 C ATOM 2747 O ILE B 61 -15.228 13.288 1.718 1.00 14.60 O ATOM 2748 CB ILE B 61 -12.504 12.427 1.090 1.00 11.80 C ATOM 2749 CG1 ILE B 61 -11.333 11.823 0.305 1.00 11.56 C ATOM 2750 CG2 ILE B 61 -12.149 12.554 2.568 1.00 13.29 C ATOM 2751 CD1 ILE B 61 -10.131 12.737 0.198 1.00 11.42 C ATOM 0 H ILE B 61 -13.763 12.251 -1.077 1.00 11.08 H new ATOM 0 HA ILE B 61 -13.531 10.546 1.209 1.00 11.78 H new ATOM 0 HB ILE B 61 -12.707 13.427 0.707 1.00 11.80 H new ATOM 0 HG12 ILE B 61 -11.028 10.893 0.784 1.00 11.56 H new ATOM 0 HG13 ILE B 61 -11.674 11.568 -0.698 1.00 11.56 H new ATOM 0 HG21 ILE B 61 -11.254 13.167 2.676 1.00 13.29 H new ATOM 0 HG22 ILE B 61 -12.976 13.022 3.102 1.00 13.29 H new ATOM 0 HG23 ILE B 61 -11.963 11.564 2.984 1.00 13.29 H new ATOM 0 HD11 ILE B 61 -9.345 12.240 -0.371 1.00 11.42 H new ATOM 0 HD12 ILE B 61 -10.418 13.658 -0.309 1.00 11.42 H new ATOM 0 HD13 ILE B 61 -9.763 12.972 1.197 1.00 11.42 H new ATOM 2763 N GLN B 62 -15.539 11.206 2.506 1.00 13.97 N ATOM 2764 CA GLN B 62 -16.657 11.566 3.365 1.00 15.52 C ATOM 2765 C GLN B 62 -16.206 11.713 4.817 1.00 13.94 C ATOM 2766 O GLN B 62 -15.009 11.818 5.098 1.00 12.15 O ATOM 2767 CB GLN B 62 -17.756 10.506 3.246 1.00 19.53 C ATOM 2768 CG GLN B 62 -18.534 10.591 1.944 1.00 26.38 C ATOM 2769 CD GLN B 62 -18.936 9.233 1.406 1.00 30.61 C ATOM 2770 OE1 GLN B 62 -19.999 8.709 1.736 1.00 33.23 O ATOM 2771 NE2 GLN B 62 -18.093 8.657 0.565 1.00 32.71 N ATOM 0 H GLN B 62 -15.290 10.217 2.537 1.00 13.97 H new ATOM 0 HA GLN B 62 -17.052 12.529 3.042 1.00 15.52 H new ATOM 0 HB2 GLN B 62 -17.307 9.516 3.329 1.00 19.53 H new ATOM 0 HB3 GLN B 62 -18.447 10.614 4.082 1.00 19.53 H new ATOM 0 HG2 GLN B 62 -19.429 11.193 2.100 1.00 26.38 H new ATOM 0 HG3 GLN B 62 -17.929 11.107 1.198 1.00 26.38 H new ATOM 0 HE21 GLN B 62 -17.221 9.125 0.316 1.00 32.71 H new ATOM 0 HE22 GLN B 62 -18.315 7.745 0.165 1.00 32.71 H new ATOM 2780 N LYS B 63 -17.162 11.717 5.734 1.00 11.73 N ATOM 2781 CA LYS B 63 -16.863 11.851 7.153 1.00 11.97 C ATOM 2782 C LYS B 63 -16.127 10.621 7.687 1.00 10.41 C ATOM 2783 O LYS B 63 -16.400 9.490 7.270 1.00 9.59 O ATOM 2784 CB LYS B 63 -18.154 12.073 7.953 1.00 13.73 C ATOM 2785 CG LYS B 63 -19.097 10.878 7.944 1.00 16.98 C ATOM 2786 CD LYS B 63 -20.278 11.085 8.875 1.00 20.19 C ATOM 2787 CE LYS B 63 -21.131 9.833 8.975 1.00 23.42 C ATOM 2788 NZ LYS B 63 -22.143 9.935 10.059 1.00 25.97 N ATOM 0 H LYS B 63 -18.155 11.629 5.520 1.00 11.73 H new ATOM 0 HA LYS B 63 -16.212 12.717 7.273 1.00 11.97 H new ATOM 0 HB2 LYS B 63 -17.894 12.311 8.985 1.00 13.73 H new ATOM 0 HB3 LYS B 63 -18.677 12.939 7.548 1.00 13.73 H new ATOM 0 HG2 LYS B 63 -19.459 10.708 6.930 1.00 16.98 H new ATOM 0 HG3 LYS B 63 -18.552 9.982 8.242 1.00 16.98 H new ATOM 0 HD2 LYS B 63 -19.918 11.362 9.866 1.00 20.19 H new ATOM 0 HD3 LYS B 63 -20.887 11.914 8.514 1.00 20.19 H new ATOM 0 HE2 LYS B 63 -21.634 9.660 8.024 1.00 23.42 H new ATOM 0 HE3 LYS B 63 -20.490 8.971 9.157 1.00 23.42 H new ATOM 0 HZ1 LYS B 63 -22.704 9.060 10.094 1.00 25.97 H new ATOM 0 HZ2 LYS B 63 -21.662 10.074 10.971 1.00 25.97 H new ATOM 0 HZ3 LYS B 63 -22.772 10.742 9.872 1.00 25.97 H new ATOM 2802 N GLU B 64 -15.175 10.868 8.587 1.00 10.04 N ATOM 2803 CA GLU B 64 -14.387 9.811 9.228 1.00 10.94 C ATOM 2804 C GLU B 64 -13.492 9.056 8.248 1.00 9.74 C ATOM 2805 O GLU B 64 -13.028 7.958 8.556 1.00 9.42 O ATOM 2806 CB GLU B 64 -15.298 8.817 9.947 1.00 18.31 C ATOM 2807 CG GLU B 64 -15.786 9.294 11.299 1.00 24.16 C ATOM 2808 CD GLU B 64 -16.426 8.179 12.090 1.00 29.00 C ATOM 2809 OE1 GLU B 64 -15.721 7.206 12.418 1.00 31.72 O ATOM 2810 OE2 GLU B 64 -17.638 8.267 12.380 1.00 32.61 O ATOM 0 H GLU B 64 -14.927 11.809 8.894 1.00 10.04 H new ATOM 0 HA GLU B 64 -13.740 10.312 9.948 1.00 10.94 H new ATOM 0 HB2 GLU B 64 -16.160 8.607 9.314 1.00 18.31 H new ATOM 0 HB3 GLU B 64 -14.762 7.877 10.077 1.00 18.31 H new ATOM 0 HG2 GLU B 64 -14.949 9.705 11.863 1.00 24.16 H new ATOM 0 HG3 GLU B 64 -16.505 10.101 11.162 1.00 24.16 H new ATOM 2817 N SER B 65 -13.241 9.631 7.082 1.00 6.85 N ATOM 2818 CA SER B 65 -12.387 8.978 6.098 1.00 6.90 C ATOM 2819 C SER B 65 -10.951 8.902 6.605 1.00 4.72 C ATOM 2820 O SER B 65 -10.312 9.927 6.855 1.00 3.91 O ATOM 2821 CB SER B 65 -12.438 9.714 4.762 1.00 7.28 C ATOM 2822 OG SER B 65 -13.751 9.707 4.232 1.00 10.56 O ATOM 0 H SER B 65 -13.610 10.537 6.795 1.00 6.85 H new ATOM 0 HA SER B 65 -12.758 7.964 5.946 1.00 6.90 H new ATOM 0 HB2 SER B 65 -12.101 10.742 4.895 1.00 7.28 H new ATOM 0 HB3 SER B 65 -11.754 9.243 4.056 1.00 7.28 H new ATOM 0 HG SER B 65 -14.337 10.246 4.803 1.00 10.56 H new ATOM 2828 N THR B 66 -10.465 7.683 6.780 1.00 4.48 N ATOM 2829 CA THR B 66 -9.114 7.457 7.257 1.00 3.80 C ATOM 2830 C THR B 66 -8.093 7.827 6.184 1.00 4.60 C ATOM 2831 O THR B 66 -8.094 7.255 5.093 1.00 5.33 O ATOM 2832 CB THR B 66 -8.924 5.984 7.660 1.00 2.85 C ATOM 2833 OG1 THR B 66 -10.185 5.432 8.070 1.00 2.15 O ATOM 2834 CG2 THR B 66 -7.911 5.855 8.790 1.00 3.40 C ATOM 0 H THR B 66 -10.993 6.830 6.596 1.00 4.48 H new ATOM 0 HA THR B 66 -8.956 8.091 8.130 1.00 3.80 H new ATOM 0 HB THR B 66 -8.545 5.434 6.798 1.00 2.85 H new ATOM 0 HG1 THR B 66 -10.061 4.498 8.340 1.00 2.15 H new ATOM 0 HG21 THR B 66 -7.795 4.804 9.056 1.00 3.40 H new ATOM 0 HG22 THR B 66 -6.951 6.255 8.465 1.00 3.40 H new ATOM 0 HG23 THR B 66 -8.262 6.413 9.658 1.00 3.40 H new ATOM 2842 N LEU B 67 -7.243 8.794 6.490 1.00 4.17 N ATOM 2843 CA LEU B 67 -6.222 9.243 5.557 1.00 3.85 C ATOM 2844 C LEU B 67 -4.830 8.993 6.127 1.00 3.80 C ATOM 2845 O LEU B 67 -4.666 8.845 7.340 1.00 5.54 O ATOM 2846 CB LEU B 67 -6.412 10.729 5.250 1.00 7.18 C ATOM 2847 CG LEU B 67 -7.708 11.072 4.516 1.00 9.67 C ATOM 2848 CD1 LEU B 67 -8.321 12.344 5.077 1.00 8.12 C ATOM 2849 CD2 LEU B 67 -7.448 11.222 3.027 1.00 11.66 C ATOM 0 H LEU B 67 -7.240 9.286 7.384 1.00 4.17 H new ATOM 0 HA LEU B 67 -6.320 8.676 4.631 1.00 3.85 H new ATOM 0 HB2 LEU B 67 -6.383 11.286 6.187 1.00 7.18 H new ATOM 0 HB3 LEU B 67 -5.569 11.072 4.650 1.00 7.18 H new ATOM 0 HG LEU B 67 -8.414 10.256 4.666 1.00 9.67 H new ATOM 0 HD11 LEU B 67 -9.243 12.571 4.541 1.00 8.12 H new ATOM 0 HD12 LEU B 67 -8.541 12.206 6.135 1.00 8.12 H new ATOM 0 HD13 LEU B 67 -7.619 13.169 4.958 1.00 8.12 H new ATOM 0 HD21 LEU B 67 -8.380 11.466 2.518 1.00 11.66 H new ATOM 0 HD22 LEU B 67 -6.725 12.021 2.863 1.00 11.66 H new ATOM 0 HD23 LEU B 67 -7.052 10.287 2.631 1.00 11.66 H new ATOM 2861 N HIS B 68 -3.835 8.940 5.255 1.00 2.94 N ATOM 2862 CA HIS B 68 -2.457 8.701 5.670 1.00 4.17 C ATOM 2863 C HIS B 68 -1.535 9.741 5.044 1.00 5.32 C ATOM 2864 O HIS B 68 -1.646 10.043 3.856 1.00 7.70 O ATOM 2865 CB HIS B 68 -2.030 7.280 5.271 1.00 5.57 C ATOM 2866 CG HIS B 68 -0.632 6.903 5.667 1.00 9.95 C ATOM 2867 ND1 HIS B 68 -0.083 7.194 6.898 1.00 13.74 N ATOM 2868 CD2 HIS B 68 0.326 6.241 4.980 1.00 12.79 C ATOM 2869 CE1 HIS B 68 1.151 6.728 6.948 1.00 14.75 C ATOM 2870 NE2 HIS B 68 1.424 6.144 5.798 1.00 16.30 N ATOM 0 H HIS B 68 -3.955 9.060 4.249 1.00 2.94 H new ATOM 0 HA HIS B 68 -2.387 8.790 6.754 1.00 4.17 H new ATOM 0 HB2 HIS B 68 -2.723 6.569 5.720 1.00 5.57 H new ATOM 0 HB3 HIS B 68 -2.125 7.178 4.190 1.00 5.57 H new ATOM 0 HD1 HIS B 68 -0.556 7.692 7.652 1.00 13.74 H new ATOM 0 HD2 HIS B 68 0.243 5.859 3.973 1.00 12.79 H new ATOM 0 HE1 HIS B 68 1.823 6.811 7.789 1.00 14.75 H new ATOM 0 HE2 HIS B 68 2.307 5.694 5.556 1.00 16.30 H new ATOM 2879 N LEU B 69 -0.646 10.303 5.849 1.00 5.29 N ATOM 2880 CA LEU B 69 0.288 11.307 5.364 1.00 3.97 C ATOM 2881 C LEU B 69 1.725 10.818 5.507 1.00 5.07 C ATOM 2882 O LEU B 69 2.132 10.356 6.574 1.00 4.34 O ATOM 2883 CB LEU B 69 0.107 12.625 6.128 1.00 6.08 C ATOM 2884 CG LEU B 69 1.090 13.741 5.750 1.00 7.37 C ATOM 2885 CD1 LEU B 69 0.864 14.195 4.317 1.00 6.87 C ATOM 2886 CD2 LEU B 69 0.953 14.917 6.703 1.00 9.96 C ATOM 0 H LEU B 69 -0.552 10.081 6.840 1.00 5.29 H new ATOM 0 HA LEU B 69 0.080 11.480 4.308 1.00 3.97 H new ATOM 0 HB2 LEU B 69 -0.908 12.986 5.962 1.00 6.08 H new ATOM 0 HB3 LEU B 69 0.204 12.424 7.195 1.00 6.08 H new ATOM 0 HG LEU B 69 2.102 13.344 5.830 1.00 7.37 H new ATOM 0 HD11 LEU B 69 1.572 14.987 4.070 1.00 6.87 H new ATOM 0 HD12 LEU B 69 1.011 13.353 3.641 1.00 6.87 H new ATOM 0 HD13 LEU B 69 -0.153 14.572 4.211 1.00 6.87 H new ATOM 0 HD21 LEU B 69 1.658 15.699 6.420 1.00 9.96 H new ATOM 0 HD22 LEU B 69 -0.063 15.309 6.654 1.00 9.96 H new ATOM 0 HD23 LEU B 69 1.166 14.588 7.720 1.00 9.96 H new ATOM 2898 N VAL B 70 2.479 10.906 4.425 1.00 4.29 N ATOM 2899 CA VAL B 70 3.872 10.493 4.423 1.00 6.26 C ATOM 2900 C VAL B 70 4.764 11.690 4.110 1.00 9.22 C ATOM 2901 O VAL B 70 4.550 12.386 3.121 1.00 9.36 O ATOM 2902 CB VAL B 70 4.126 9.364 3.394 1.00 8.69 C ATOM 2903 CG1 VAL B 70 5.613 9.111 3.206 1.00 9.76 C ATOM 2904 CG2 VAL B 70 3.429 8.085 3.827 1.00 8.54 C ATOM 0 H VAL B 70 2.146 11.263 3.529 1.00 4.29 H new ATOM 0 HA VAL B 70 4.111 10.105 5.413 1.00 6.26 H new ATOM 0 HB VAL B 70 3.714 9.687 2.438 1.00 8.69 H new ATOM 0 HG11 VAL B 70 5.757 8.313 2.478 1.00 9.76 H new ATOM 0 HG12 VAL B 70 6.094 10.021 2.847 1.00 9.76 H new ATOM 0 HG13 VAL B 70 6.055 8.818 4.158 1.00 9.76 H new ATOM 0 HG21 VAL B 70 3.617 7.302 3.093 1.00 8.54 H new ATOM 0 HG22 VAL B 70 3.813 7.772 4.798 1.00 8.54 H new ATOM 0 HG23 VAL B 70 2.356 8.262 3.901 1.00 8.54 H new ATOM 2914 N LEU B 71 5.741 11.943 4.967 1.00 12.71 N ATOM 2915 CA LEU B 71 6.654 13.057 4.766 1.00 16.06 C ATOM 2916 C LEU B 71 7.882 12.600 3.991 1.00 18.09 C ATOM 2917 O LEU B 71 8.005 11.422 3.652 1.00 19.26 O ATOM 2918 CB LEU B 71 7.074 13.654 6.112 1.00 17.10 C ATOM 2919 CG LEU B 71 5.923 14.060 7.034 1.00 19.37 C ATOM 2920 CD1 LEU B 71 6.467 14.694 8.302 1.00 17.51 C ATOM 2921 CD2 LEU B 71 4.975 15.017 6.327 1.00 19.57 C ATOM 0 H LEU B 71 5.922 11.393 5.807 1.00 12.71 H new ATOM 0 HA LEU B 71 6.139 13.825 4.189 1.00 16.06 H new ATOM 0 HB2 LEU B 71 7.697 12.928 6.634 1.00 17.10 H new ATOM 0 HB3 LEU B 71 7.694 14.531 5.924 1.00 17.10 H new ATOM 0 HG LEU B 71 5.363 13.163 7.301 1.00 19.37 H new ATOM 0 HD11 LEU B 71 5.639 14.979 8.951 1.00 17.51 H new ATOM 0 HD12 LEU B 71 7.105 13.979 8.821 1.00 17.51 H new ATOM 0 HD13 LEU B 71 7.048 15.580 8.045 1.00 17.51 H new ATOM 0 HD21 LEU B 71 4.165 15.292 7.002 1.00 19.57 H new ATOM 0 HD22 LEU B 71 5.519 15.914 6.029 1.00 19.57 H new ATOM 0 HD23 LEU B 71 4.562 14.532 5.442 1.00 19.57 H new ATOM 2933 N ARG B 72 8.780 13.526 3.694 1.00 21.47 N ATOM 2934 CA ARG B 72 9.997 13.197 2.968 1.00 25.83 C ATOM 2935 C ARG B 72 11.141 14.097 3.410 1.00 27.74 C ATOM 2936 O ARG B 72 11.016 15.322 3.409 1.00 30.65 O ATOM 2937 CB ARG B 72 9.779 13.320 1.459 1.00 28.49 C ATOM 2938 CG ARG B 72 10.901 12.703 0.639 1.00 31.79 C ATOM 2939 CD ARG B 72 10.406 12.199 -0.707 1.00 34.05 C ATOM 2940 NE ARG B 72 11.154 11.021 -1.146 1.00 35.08 N ATOM 2941 CZ ARG B 72 11.145 10.544 -2.391 1.00 34.67 C ATOM 2942 NH1 ARG B 72 10.419 11.136 -3.331 1.00 34.97 N ATOM 2943 NH2 ARG B 72 11.863 9.467 -2.688 1.00 35.02 N ATOM 0 H ARG B 72 8.689 14.511 3.944 1.00 21.47 H new ATOM 0 HA ARG B 72 10.258 12.163 3.195 1.00 25.83 H new ATOM 0 HB2 ARG B 72 8.837 12.839 1.194 1.00 28.49 H new ATOM 0 HB3 ARG B 72 9.683 14.374 1.197 1.00 28.49 H new ATOM 0 HG2 ARG B 72 11.686 13.443 0.484 1.00 31.79 H new ATOM 0 HG3 ARG B 72 11.346 11.878 1.195 1.00 31.79 H new ATOM 0 HD2 ARG B 72 9.346 11.953 -0.637 1.00 34.05 H new ATOM 0 HD3 ARG B 72 10.502 12.990 -1.451 1.00 34.05 H new ATOM 0 HE ARG B 72 11.720 10.532 -0.453 1.00 35.08 H new ATOM 0 HH11 ARG B 72 9.864 11.961 -3.103 1.00 34.97 H new ATOM 0 HH12 ARG B 72 10.416 10.766 -4.282 1.00 34.97 H new ATOM 0 HH21 ARG B 72 12.418 9.009 -1.965 1.00 35.02 H new ATOM 0 HH22 ARG B 72 11.860 9.098 -3.639 1.00 35.02 H new ATOM 2957 N LEU B 73 12.248 13.483 3.792 1.00 28.93 N ATOM 2958 CA LEU B 73 13.417 14.217 4.239 1.00 30.76 C ATOM 2959 C LEU B 73 14.251 14.662 3.046 1.00 32.18 C ATOM 2960 O LEU B 73 14.225 14.034 1.987 1.00 32.31 O ATOM 2961 CB LEU B 73 14.267 13.345 5.165 1.00 30.53 C ATOM 2962 CG LEU B 73 13.520 12.721 6.346 1.00 30.16 C ATOM 2963 CD1 LEU B 73 14.336 11.584 6.943 1.00 29.57 C ATOM 2964 CD2 LEU B 73 13.210 13.772 7.402 1.00 29.11 C ATOM 0 H LEU B 73 12.361 12.469 3.801 1.00 28.93 H new ATOM 0 HA LEU B 73 13.082 15.098 4.786 1.00 30.76 H new ATOM 0 HB2 LEU B 73 14.713 12.544 4.575 1.00 30.53 H new ATOM 0 HB3 LEU B 73 15.087 13.949 5.554 1.00 30.53 H new ATOM 0 HG LEU B 73 12.575 12.317 5.984 1.00 30.16 H new ATOM 0 HD11 LEU B 73 13.794 11.149 7.782 1.00 29.57 H new ATOM 0 HD12 LEU B 73 14.505 10.820 6.184 1.00 29.57 H new ATOM 0 HD13 LEU B 73 15.295 11.968 7.291 1.00 29.57 H new ATOM 0 HD21 LEU B 73 12.679 13.307 8.233 1.00 29.11 H new ATOM 0 HD22 LEU B 73 14.140 14.209 7.765 1.00 29.11 H new ATOM 0 HD23 LEU B 73 12.588 14.554 6.966 1.00 29.11 H new ATOM 2976 N ARG B 74 14.972 15.755 3.219 1.00 33.82 N ATOM 2977 CA ARG B 74 15.827 16.278 2.168 1.00 35.33 C ATOM 2978 C ARG B 74 17.219 15.681 2.299 1.00 36.22 C ATOM 2979 O ARG B 74 17.972 15.605 1.329 1.00 36.70 O ATOM 2980 CB ARG B 74 15.892 17.806 2.237 1.00 36.91 C ATOM 2981 CG ARG B 74 14.567 18.491 1.929 1.00 38.62 C ATOM 2982 CD ARG B 74 14.028 18.080 0.569 1.00 39.75 C ATOM 2983 NE ARG B 74 12.968 18.972 0.102 1.00 41.13 N ATOM 2984 CZ ARG B 74 12.378 18.866 -1.088 1.00 41.91 C ATOM 2985 NH1 ARG B 74 12.735 17.900 -1.928 1.00 41.93 N ATOM 2986 NH2 ARG B 74 11.434 19.731 -1.436 1.00 42.75 N ATOM 0 H ARG B 74 14.982 16.300 4.081 1.00 33.82 H new ATOM 0 HA ARG B 74 15.409 16.000 1.200 1.00 35.33 H new ATOM 0 HB2 ARG B 74 16.221 18.102 3.233 1.00 36.91 H new ATOM 0 HB3 ARG B 74 16.646 18.161 1.534 1.00 36.91 H new ATOM 0 HG2 ARG B 74 13.839 18.240 2.701 1.00 38.62 H new ATOM 0 HG3 ARG B 74 14.701 19.572 1.956 1.00 38.62 H new ATOM 0 HD2 ARG B 74 14.842 18.075 -0.156 1.00 39.75 H new ATOM 0 HD3 ARG B 74 13.645 17.061 0.625 1.00 39.75 H new ATOM 0 HE ARG B 74 12.662 19.720 0.724 1.00 41.13 H new ATOM 0 HH11 ARG B 74 13.463 17.237 -1.663 1.00 41.93 H new ATOM 0 HH12 ARG B 74 12.281 17.822 -2.838 1.00 41.93 H new ATOM 0 HH21 ARG B 74 11.162 20.475 -0.793 1.00 42.75 H new ATOM 0 HH22 ARG B 74 10.981 19.652 -2.346 1.00 42.75 H new ATOM 3000 N GLY B 75 17.553 15.258 3.510 1.00 36.31 N ATOM 3001 CA GLY B 75 18.843 14.652 3.761 1.00 36.07 C ATOM 3002 C GLY B 75 18.710 13.177 4.074 1.00 36.16 C ATOM 3003 O GLY B 75 17.625 12.608 3.947 1.00 36.26 O ATOM 0 H GLY B 75 16.948 15.325 4.328 1.00 36.31 H new ATOM 0 HA2 GLY B 75 19.484 14.784 2.889 1.00 36.07 H new ATOM 0 HA3 GLY B 75 19.329 15.160 4.594 1.00 36.07 H new ATOM 3007 N GLY B 76 19.803 12.557 4.487 1.00 36.05 N ATOM 3008 CA GLY B 76 19.775 11.147 4.808 1.00 36.19 C ATOM 3009 C GLY B 76 21.158 10.611 5.092 1.00 36.20 C ATOM 3010 O GLY B 76 21.441 9.455 4.719 1.00 0.00 O ATOM 3011 OXT GLY B 76 21.970 11.349 5.690 1.00 0.00 O ATOM 0 H GLY B 76 20.711 13.006 4.606 1.00 36.05 H new ATOM 0 HA2 GLY B 76 19.136 10.984 5.676 1.00 36.19 H new ATOM 0 HA3 GLY B 76 19.333 10.594 3.979 1.00 36.19 H new