USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 975 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 MET CE :methyl -175:sc= -1.91 (180deg=-1.94) USER MOD Set 1.2: A 107 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.05) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.0107 (180deg=-0.144) USER MOD Single : A 23 TYR OH : rot -166:sc= -0.509 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.407 K(o=-0.41,f=0.98) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0192) USER MOD Single : A 42 THR OG1 : rot -59:sc= 1.26 USER MOD Single : A 43 MET CE :methyl -121:sc= -5.92! (180deg=-11.1!) USER MOD Single : A 44 ASN : amide:sc= -0.0794 X(o=-0.079,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.048 (180deg=-0.392) USER MOD Single : A 57 GLN : amide:sc= -0.562 K(o=-0.56,f=-4.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0303 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -150:sc= -1.82 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -123:sc= -0.296 (180deg=-3.18!) USER MOD Single : A 88 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.0024) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0963 USER MOD Single : A 97 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.78) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -179:sc= 0.0945 USER MOD Single : A 108 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00768) USER MOD Single : A 111 LYS NZ :NH3+ 152:sc= -0.313 (180deg=-1.38!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0711) USER MOD Single : A 117 HIS : no HE2:sc= 0.00576 K(o=0.0058,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 3.200 -0.712 1.487 1.00 70.32 N ATOM 2 CA SER A 3 3.130 -0.036 0.197 1.00 70.34 C ATOM 3 C SER A 3 2.223 -0.796 -0.766 1.00 74.03 C ATOM 4 O SER A 3 2.113 -2.019 -0.698 1.00 34.31 O ATOM 5 CB SER A 3 4.529 0.104 -0.406 1.00 61.53 C ATOM 6 OG SER A 3 4.537 1.048 -1.463 1.00 2.14 O ATOM 0 HA SER A 3 2.710 0.957 0.357 1.00 70.34 H new ATOM 0 HB2 SER A 3 5.232 0.413 0.367 1.00 61.53 H new ATOM 0 HB3 SER A 3 4.867 -0.864 -0.776 1.00 61.53 H new ATOM 0 HG SER A 3 5.443 1.120 -1.830 1.00 2.14 H new ATOM 12 N ASN A 4 1.574 -0.060 -1.663 1.00 62.33 N ATOM 13 CA ASN A 4 0.675 -0.663 -2.641 1.00 23.44 C ATOM 14 C ASN A 4 1.433 -1.614 -3.562 1.00 72.34 C ATOM 15 O ASN A 4 0.860 -2.562 -4.100 1.00 2.14 O ATOM 16 CB ASN A 4 -0.016 0.423 -3.467 1.00 72.20 C ATOM 17 CG ASN A 4 0.867 0.954 -4.579 1.00 64.53 C ATOM 18 OD1 ASN A 4 0.657 0.648 -5.753 1.00 44.13 O ATOM 19 ND2 ASN A 4 1.863 1.753 -4.214 1.00 31.34 N ATOM 0 H ASN A 4 1.654 0.954 -1.733 1.00 62.33 H new ATOM 0 HA ASN A 4 -0.080 -1.234 -2.100 1.00 23.44 H new ATOM 0 HB2 ASN A 4 -0.933 0.020 -3.896 1.00 72.20 H new ATOM 0 HB3 ASN A 4 -0.305 1.245 -2.812 1.00 72.20 H new ATOM 0 HD21 ASN A 4 2.491 2.140 -4.919 1.00 31.34 H new ATOM 0 HD22 ASN A 4 2.000 1.980 -3.229 1.00 31.34 H new ATOM 26 N ALA A 5 2.724 -1.354 -3.740 1.00 30.32 N ATOM 27 CA ALA A 5 3.561 -2.188 -4.594 1.00 12.01 C ATOM 28 C ALA A 5 4.512 -3.043 -3.764 1.00 4.21 C ATOM 29 O ALA A 5 5.467 -3.615 -4.289 1.00 10.52 O ATOM 30 CB ALA A 5 4.342 -1.324 -5.573 1.00 11.12 C ATOM 0 H ALA A 5 3.213 -0.572 -3.304 1.00 30.32 H new ATOM 0 HA ALA A 5 2.910 -2.857 -5.157 1.00 12.01 H new ATOM 0 HB1 ALA A 5 4.963 -1.960 -6.204 1.00 11.12 H new ATOM 0 HB2 ALA A 5 3.647 -0.761 -6.196 1.00 11.12 H new ATOM 0 HB3 ALA A 5 4.977 -0.631 -5.021 1.00 11.12 H new ATOM 36 N GLY A 6 4.246 -3.125 -2.464 1.00 31.12 N ATOM 37 CA GLY A 6 5.089 -3.912 -1.582 1.00 55.32 C ATOM 38 C GLY A 6 5.154 -5.370 -1.992 1.00 3.35 C ATOM 39 O GLY A 6 6.116 -6.068 -1.672 1.00 34.33 O ATOM 0 H GLY A 6 3.462 -2.661 -2.006 1.00 31.12 H new ATOM 0 HA2 GLY A 6 6.096 -3.494 -1.577 1.00 55.32 H new ATOM 0 HA3 GLY A 6 4.710 -3.841 -0.563 1.00 55.32 H new ATOM 43 N ALA A 7 4.129 -5.831 -2.700 1.00 14.32 N ATOM 44 CA ALA A 7 4.074 -7.215 -3.153 1.00 42.14 C ATOM 45 C ALA A 7 5.099 -7.473 -4.253 1.00 12.10 C ATOM 46 O ALA A 7 5.704 -8.544 -4.312 1.00 15.04 O ATOM 47 CB ALA A 7 2.674 -7.555 -3.643 1.00 64.04 C ATOM 0 H ALA A 7 3.325 -5.266 -2.973 1.00 14.32 H new ATOM 0 HA ALA A 7 4.317 -7.858 -2.307 1.00 42.14 H new ATOM 0 HB1 ALA A 7 2.648 -8.592 -3.978 1.00 64.04 H new ATOM 0 HB2 ALA A 7 1.961 -7.418 -2.830 1.00 64.04 H new ATOM 0 HB3 ALA A 7 2.409 -6.899 -4.472 1.00 64.04 H new ATOM 53 N ILE A 8 5.288 -6.486 -5.122 1.00 42.11 N ATOM 54 CA ILE A 8 6.240 -6.607 -6.219 1.00 61.13 C ATOM 55 C ILE A 8 7.675 -6.495 -5.717 1.00 25.14 C ATOM 56 O ILE A 8 8.583 -7.128 -6.255 1.00 5.32 O ATOM 57 CB ILE A 8 5.999 -5.531 -7.295 1.00 24.51 C ATOM 58 CG1 ILE A 8 4.574 -5.636 -7.842 1.00 64.42 C ATOM 59 CG2 ILE A 8 7.016 -5.669 -8.419 1.00 34.43 C ATOM 60 CD1 ILE A 8 3.583 -4.751 -7.120 1.00 41.32 C ATOM 0 H ILE A 8 4.795 -5.594 -5.088 1.00 42.11 H new ATOM 0 HA ILE A 8 6.088 -7.592 -6.661 1.00 61.13 H new ATOM 0 HB ILE A 8 6.121 -4.548 -6.839 1.00 24.51 H new ATOM 0 HG12 ILE A 8 4.579 -5.374 -8.900 1.00 64.42 H new ATOM 0 HG13 ILE A 8 4.242 -6.672 -7.772 1.00 64.42 H new ATOM 0 HG21 ILE A 8 6.833 -4.902 -9.172 1.00 34.43 H new ATOM 0 HG22 ILE A 8 8.022 -5.549 -8.016 1.00 34.43 H new ATOM 0 HG23 ILE A 8 6.923 -6.655 -8.875 1.00 34.43 H new ATOM 0 HD11 ILE A 8 2.594 -4.877 -7.561 1.00 41.32 H new ATOM 0 HD12 ILE A 8 3.549 -5.028 -6.066 1.00 41.32 H new ATOM 0 HD13 ILE A 8 3.891 -3.709 -7.212 1.00 41.32 H new ATOM 72 N ALA A 9 7.872 -5.687 -4.680 1.00 42.11 N ATOM 73 CA ALA A 9 9.196 -5.495 -4.102 1.00 3.22 C ATOM 74 C ALA A 9 9.621 -6.712 -3.287 1.00 44.21 C ATOM 75 O ALA A 9 10.808 -7.027 -3.195 1.00 50.10 O ATOM 76 CB ALA A 9 9.218 -4.244 -3.236 1.00 14.12 C ATOM 0 H ALA A 9 7.131 -5.155 -4.223 1.00 42.11 H new ATOM 0 HA ALA A 9 9.907 -5.371 -4.919 1.00 3.22 H new ATOM 0 HB1 ALA A 9 10.213 -4.113 -2.811 1.00 14.12 H new ATOM 0 HB2 ALA A 9 8.967 -3.376 -3.845 1.00 14.12 H new ATOM 0 HB3 ALA A 9 8.490 -4.346 -2.431 1.00 14.12 H new ATOM 82 N LYS A 10 8.645 -7.393 -2.696 1.00 43.33 N ATOM 83 CA LYS A 10 8.917 -8.576 -1.889 1.00 62.11 C ATOM 84 C LYS A 10 9.436 -9.719 -2.756 1.00 52.23 C ATOM 85 O LYS A 10 9.964 -10.708 -2.247 1.00 22.02 O ATOM 86 CB LYS A 10 7.652 -9.016 -1.150 1.00 74.50 C ATOM 87 CG LYS A 10 7.400 -8.249 0.136 1.00 1.32 C ATOM 88 CD LYS A 10 5.960 -8.392 0.598 1.00 13.24 C ATOM 89 CE LYS A 10 5.723 -9.731 1.280 1.00 44.11 C ATOM 90 NZ LYS A 10 6.176 -9.719 2.699 1.00 52.34 N ATOM 0 H LYS A 10 7.658 -7.145 -2.761 1.00 43.33 H new ATOM 0 HA LYS A 10 9.685 -8.319 -1.160 1.00 62.11 H new ATOM 0 HB2 LYS A 10 6.794 -8.892 -1.811 1.00 74.50 H new ATOM 0 HB3 LYS A 10 7.727 -10.079 -0.920 1.00 74.50 H new ATOM 0 HG2 LYS A 10 8.071 -8.612 0.915 1.00 1.32 H new ATOM 0 HG3 LYS A 10 7.631 -7.195 -0.017 1.00 1.32 H new ATOM 0 HD2 LYS A 10 5.716 -7.583 1.287 1.00 13.24 H new ATOM 0 HD3 LYS A 10 5.291 -8.295 -0.257 1.00 13.24 H new ATOM 0 HE2 LYS A 10 4.662 -9.976 1.240 1.00 44.11 H new ATOM 0 HE3 LYS A 10 6.252 -10.514 0.737 1.00 44.11 H new ATOM 0 HZ1 LYS A 10 5.997 -10.649 3.128 1.00 52.34 H new ATOM 0 HZ2 LYS A 10 7.194 -9.510 2.737 1.00 52.34 H new ATOM 0 HZ3 LYS A 10 5.653 -8.989 3.224 1.00 52.34 H new ATOM 104 N LEU A 11 9.283 -9.576 -4.068 1.00 60.12 N ATOM 105 CA LEU A 11 9.738 -10.596 -5.007 1.00 34.22 C ATOM 106 C LEU A 11 11.238 -10.479 -5.254 1.00 23.14 C ATOM 107 O LEU A 11 11.890 -11.447 -5.646 1.00 71.35 O ATOM 108 CB LEU A 11 8.980 -10.473 -6.330 1.00 64.23 C ATOM 109 CG LEU A 11 7.504 -10.090 -6.226 1.00 11.53 C ATOM 110 CD1 LEU A 11 6.890 -9.947 -7.610 1.00 2.12 C ATOM 111 CD2 LEU A 11 6.742 -11.120 -5.406 1.00 32.51 C ATOM 0 H LEU A 11 8.848 -8.764 -4.506 1.00 60.12 H new ATOM 0 HA LEU A 11 9.536 -11.574 -4.569 1.00 34.22 H new ATOM 0 HB2 LEU A 11 9.485 -9.729 -6.947 1.00 64.23 H new ATOM 0 HB3 LEU A 11 9.051 -11.425 -6.856 1.00 64.23 H new ATOM 0 HG LEU A 11 7.434 -9.128 -5.719 1.00 11.53 H new ATOM 0 HD11 LEU A 11 5.839 -9.674 -7.515 1.00 2.12 H new ATOM 0 HD12 LEU A 11 7.418 -9.171 -8.164 1.00 2.12 H new ATOM 0 HD13 LEU A 11 6.972 -10.894 -8.144 1.00 2.12 H new ATOM 0 HD21 LEU A 11 5.693 -10.831 -5.343 1.00 32.51 H new ATOM 0 HD22 LEU A 11 6.821 -12.096 -5.884 1.00 32.51 H new ATOM 0 HD23 LEU A 11 7.165 -11.172 -4.403 1.00 32.51 H new ATOM 123 N ILE A 12 11.780 -9.289 -5.019 1.00 1.23 N ATOM 124 CA ILE A 12 13.204 -9.047 -5.212 1.00 44.24 C ATOM 125 C ILE A 12 14.044 -10.078 -4.466 1.00 73.32 C ATOM 126 O ILE A 12 14.859 -10.792 -5.051 1.00 3.22 O ATOM 127 CB ILE A 12 13.605 -7.637 -4.740 1.00 41.30 C ATOM 128 CG1 ILE A 12 13.429 -6.626 -5.875 1.00 15.32 C ATOM 129 CG2 ILE A 12 15.042 -7.634 -4.240 1.00 31.22 C ATOM 130 CD1 ILE A 12 14.382 -6.840 -7.029 1.00 60.43 C ATOM 0 H ILE A 12 11.254 -8.477 -4.695 1.00 1.23 H new ATOM 0 HA ILE A 12 13.395 -9.132 -6.282 1.00 44.24 H new ATOM 0 HB ILE A 12 12.953 -7.347 -3.916 1.00 41.30 H new ATOM 0 HG12 ILE A 12 12.405 -6.682 -6.245 1.00 15.32 H new ATOM 0 HG13 ILE A 12 13.570 -5.620 -5.480 1.00 15.32 H new ATOM 0 HG21 ILE A 12 15.310 -6.630 -3.910 1.00 31.22 H new ATOM 0 HG22 ILE A 12 15.138 -8.328 -3.405 1.00 31.22 H new ATOM 0 HG23 ILE A 12 15.708 -7.941 -5.046 1.00 31.22 H new ATOM 0 HD11 ILE A 12 14.200 -6.087 -7.796 1.00 60.43 H new ATOM 0 HD12 ILE A 12 15.409 -6.754 -6.674 1.00 60.43 H new ATOM 0 HD13 ILE A 12 14.226 -7.833 -7.451 1.00 60.43 H new ATOM 142 N PRO A 13 13.840 -10.162 -3.143 1.00 73.02 N ATOM 143 CA PRO A 13 14.567 -11.105 -2.288 1.00 74.22 C ATOM 144 C PRO A 13 14.157 -12.552 -2.542 1.00 13.11 C ATOM 145 O PRO A 13 14.946 -13.476 -2.343 1.00 52.21 O ATOM 146 CB PRO A 13 14.171 -10.678 -0.873 1.00 4.25 C ATOM 147 CG PRO A 13 12.849 -10.011 -1.033 1.00 50.15 C ATOM 148 CD PRO A 13 12.883 -9.343 -2.380 1.00 44.41 C ATOM 0 HA PRO A 13 15.641 -11.077 -2.472 1.00 74.22 H new ATOM 0 HB2 PRO A 13 14.103 -11.537 -0.205 1.00 4.25 H new ATOM 0 HB3 PRO A 13 14.908 -9.999 -0.444 1.00 4.25 H new ATOM 0 HG2 PRO A 13 12.037 -10.736 -0.977 1.00 50.15 H new ATOM 0 HG3 PRO A 13 12.681 -9.282 -0.240 1.00 50.15 H new ATOM 0 HD2 PRO A 13 11.899 -9.334 -2.849 1.00 44.41 H new ATOM 0 HD3 PRO A 13 13.211 -8.306 -2.306 1.00 44.41 H new ATOM 156 N LYS A 14 12.918 -12.742 -2.982 1.00 73.45 N ATOM 157 CA LYS A 14 12.402 -14.077 -3.266 1.00 4.35 C ATOM 158 C LYS A 14 13.317 -14.819 -4.234 1.00 42.05 C ATOM 159 O LYS A 14 13.461 -16.040 -4.156 1.00 43.25 O ATOM 160 CB LYS A 14 10.990 -13.987 -3.848 1.00 20.41 C ATOM 161 CG LYS A 14 9.893 -14.150 -2.810 1.00 51.12 C ATOM 162 CD LYS A 14 8.554 -14.459 -3.458 1.00 53.12 C ATOM 163 CE LYS A 14 8.339 -15.957 -3.606 1.00 73.34 C ATOM 164 NZ LYS A 14 8.058 -16.610 -2.297 1.00 42.54 N ATOM 0 H LYS A 14 12.252 -11.988 -3.150 1.00 73.45 H new ATOM 0 HA LYS A 14 12.367 -14.633 -2.329 1.00 4.35 H new ATOM 0 HB2 LYS A 14 10.871 -13.023 -4.342 1.00 20.41 H new ATOM 0 HB3 LYS A 14 10.872 -14.754 -4.613 1.00 20.41 H new ATOM 0 HG2 LYS A 14 10.159 -14.952 -2.121 1.00 51.12 H new ATOM 0 HG3 LYS A 14 9.811 -13.237 -2.220 1.00 51.12 H new ATOM 0 HD2 LYS A 14 7.751 -14.033 -2.857 1.00 53.12 H new ATOM 0 HD3 LYS A 14 8.505 -13.985 -4.438 1.00 53.12 H new ATOM 0 HE2 LYS A 14 7.508 -16.139 -4.288 1.00 73.34 H new ATOM 0 HE3 LYS A 14 9.224 -16.408 -4.054 1.00 73.34 H new ATOM 0 HZ1 LYS A 14 7.640 -17.548 -2.460 1.00 42.54 H new ATOM 0 HZ2 LYS A 14 8.945 -16.714 -1.763 1.00 42.54 H new ATOM 0 HZ3 LYS A 14 7.393 -16.025 -1.753 1.00 42.54 H new ATOM 178 N LEU A 15 13.934 -14.075 -5.146 1.00 22.12 N ATOM 179 CA LEU A 15 14.837 -14.663 -6.130 1.00 1.25 C ATOM 180 C LEU A 15 16.254 -14.767 -5.574 1.00 40.35 C ATOM 181 O LEU A 15 17.002 -15.680 -5.921 1.00 42.54 O ATOM 182 CB LEU A 15 14.839 -13.828 -7.412 1.00 22.44 C ATOM 183 CG LEU A 15 13.591 -13.941 -8.288 1.00 63.50 C ATOM 184 CD1 LEU A 15 13.304 -12.619 -8.981 1.00 44.25 C ATOM 185 CD2 LEU A 15 13.757 -15.057 -9.310 1.00 54.20 C ATOM 0 H LEU A 15 13.826 -13.064 -5.225 1.00 22.12 H new ATOM 0 HA LEU A 15 14.482 -15.668 -6.359 1.00 1.25 H new ATOM 0 HB2 LEU A 15 14.974 -12.781 -7.140 1.00 22.44 H new ATOM 0 HB3 LEU A 15 15.705 -14.116 -8.008 1.00 22.44 H new ATOM 0 HG LEU A 15 12.742 -14.184 -7.649 1.00 63.50 H new ATOM 0 HD11 LEU A 15 12.412 -12.719 -9.600 1.00 44.25 H new ATOM 0 HD12 LEU A 15 13.141 -11.844 -8.232 1.00 44.25 H new ATOM 0 HD13 LEU A 15 14.152 -12.345 -9.608 1.00 44.25 H new ATOM 0 HD21 LEU A 15 12.860 -15.124 -9.925 1.00 54.20 H new ATOM 0 HD22 LEU A 15 14.617 -14.844 -9.945 1.00 54.20 H new ATOM 0 HD23 LEU A 15 13.913 -16.004 -8.793 1.00 54.20 H new ATOM 197 N GLY A 16 16.615 -13.825 -4.708 1.00 44.00 N ATOM 198 CA GLY A 16 17.941 -13.830 -4.117 1.00 52.11 C ATOM 199 C GLY A 16 18.250 -15.128 -3.399 1.00 25.33 C ATOM 200 O GLY A 16 19.414 -15.496 -3.243 1.00 64.11 O ATOM 0 H GLY A 16 16.014 -13.059 -4.405 1.00 44.00 H new ATOM 0 HA2 GLY A 16 18.684 -13.664 -4.897 1.00 52.11 H new ATOM 0 HA3 GLY A 16 18.026 -13.001 -3.415 1.00 52.11 H new ATOM 204 N GLU A 17 17.206 -15.823 -2.959 1.00 20.05 N ATOM 205 CA GLU A 17 17.374 -17.087 -2.250 1.00 54.42 C ATOM 206 C GLU A 17 18.145 -18.090 -3.103 1.00 33.12 C ATOM 207 O GLU A 17 18.894 -18.918 -2.583 1.00 1.24 O ATOM 208 CB GLU A 17 16.011 -17.667 -1.868 1.00 15.05 C ATOM 209 CG GLU A 17 16.093 -19.040 -1.222 1.00 1.24 C ATOM 210 CD GLU A 17 14.796 -19.448 -0.550 1.00 41.34 C ATOM 211 OE1 GLU A 17 13.720 -19.096 -1.078 1.00 11.15 O ATOM 212 OE2 GLU A 17 14.857 -20.118 0.501 1.00 12.03 O ATOM 0 H GLU A 17 16.236 -15.533 -3.081 1.00 20.05 H new ATOM 0 HA GLU A 17 17.946 -16.893 -1.342 1.00 54.42 H new ATOM 0 HB2 GLU A 17 15.513 -16.981 -1.182 1.00 15.05 H new ATOM 0 HB3 GLU A 17 15.390 -17.732 -2.761 1.00 15.05 H new ATOM 0 HG2 GLU A 17 16.353 -19.779 -1.980 1.00 1.24 H new ATOM 0 HG3 GLU A 17 16.896 -19.043 -0.485 1.00 1.24 H new ATOM 219 N LEU A 18 17.955 -18.011 -4.415 1.00 62.13 N ATOM 220 CA LEU A 18 18.632 -18.912 -5.342 1.00 31.23 C ATOM 221 C LEU A 18 19.959 -18.320 -5.806 1.00 54.11 C ATOM 222 O LEU A 18 20.790 -19.015 -6.391 1.00 25.32 O ATOM 223 CB LEU A 18 17.738 -19.199 -6.549 1.00 70.43 C ATOM 224 CG LEU A 18 16.743 -20.349 -6.389 1.00 74.13 C ATOM 225 CD1 LEU A 18 17.469 -21.685 -6.368 1.00 40.03 C ATOM 226 CD2 LEU A 18 15.918 -20.168 -5.123 1.00 61.31 C ATOM 0 H LEU A 18 17.338 -17.333 -4.861 1.00 62.13 H new ATOM 0 HA LEU A 18 18.836 -19.846 -4.819 1.00 31.23 H new ATOM 0 HB2 LEU A 18 17.180 -18.293 -6.786 1.00 70.43 H new ATOM 0 HB3 LEU A 18 18.376 -19.414 -7.406 1.00 70.43 H new ATOM 0 HG LEU A 18 16.067 -20.340 -7.244 1.00 74.13 H new ATOM 0 HD11 LEU A 18 16.744 -22.491 -6.253 1.00 40.03 H new ATOM 0 HD12 LEU A 18 18.014 -21.817 -7.302 1.00 40.03 H new ATOM 0 HD13 LEU A 18 18.169 -21.705 -5.533 1.00 40.03 H new ATOM 0 HD21 LEU A 18 15.215 -20.995 -5.025 1.00 61.31 H new ATOM 0 HD22 LEU A 18 16.580 -20.150 -4.257 1.00 61.31 H new ATOM 0 HD23 LEU A 18 15.367 -19.229 -5.179 1.00 61.31 H new ATOM 238 N LEU A 19 20.151 -17.033 -5.541 1.00 0.35 N ATOM 239 CA LEU A 19 21.378 -16.346 -5.929 1.00 64.41 C ATOM 240 C LEU A 19 22.382 -16.332 -4.780 1.00 75.41 C ATOM 241 O LEU A 19 23.568 -16.073 -4.981 1.00 61.42 O ATOM 242 CB LEU A 19 21.068 -14.914 -6.368 1.00 22.21 C ATOM 243 CG LEU A 19 20.747 -14.721 -7.850 1.00 62.14 C ATOM 244 CD1 LEU A 19 19.429 -15.392 -8.203 1.00 13.01 C ATOM 245 CD2 LEU A 19 20.704 -13.240 -8.198 1.00 71.32 C ATOM 0 H LEU A 19 19.473 -16.444 -5.059 1.00 0.35 H new ATOM 0 HA LEU A 19 21.819 -16.888 -6.765 1.00 64.41 H new ATOM 0 HB2 LEU A 19 20.223 -14.551 -5.783 1.00 22.21 H new ATOM 0 HB3 LEU A 19 21.922 -14.285 -6.117 1.00 22.21 H new ATOM 0 HG LEU A 19 21.537 -15.189 -8.437 1.00 62.14 H new ATOM 0 HD11 LEU A 19 19.217 -15.244 -9.262 1.00 13.01 H new ATOM 0 HD12 LEU A 19 19.496 -16.459 -7.992 1.00 13.01 H new ATOM 0 HD13 LEU A 19 18.627 -14.955 -7.608 1.00 13.01 H new ATOM 0 HD21 LEU A 19 20.474 -13.122 -9.257 1.00 71.32 H new ATOM 0 HD22 LEU A 19 19.935 -12.749 -7.603 1.00 71.32 H new ATOM 0 HD23 LEU A 19 21.672 -12.788 -7.984 1.00 71.32 H new ATOM 257 N VAL A 20 21.897 -16.615 -3.575 1.00 1.21 N ATOM 258 CA VAL A 20 22.752 -16.638 -2.394 1.00 34.03 C ATOM 259 C VAL A 20 23.530 -17.946 -2.304 1.00 35.11 C ATOM 260 O VAL A 20 24.592 -18.007 -1.687 1.00 62.51 O ATOM 261 CB VAL A 20 21.931 -16.452 -1.104 1.00 1.14 C ATOM 262 CG1 VAL A 20 21.290 -15.073 -1.073 1.00 14.01 C ATOM 263 CG2 VAL A 20 20.877 -17.542 -0.981 1.00 62.00 C ATOM 0 H VAL A 20 20.917 -16.831 -3.391 1.00 1.21 H new ATOM 0 HA VAL A 20 23.452 -15.809 -2.494 1.00 34.03 H new ATOM 0 HB VAL A 20 22.605 -16.532 -0.251 1.00 1.14 H new ATOM 0 HG11 VAL A 20 20.714 -14.960 -0.154 1.00 14.01 H new ATOM 0 HG12 VAL A 20 22.067 -14.310 -1.110 1.00 14.01 H new ATOM 0 HG13 VAL A 20 20.629 -14.960 -1.932 1.00 14.01 H new ATOM 0 HG21 VAL A 20 20.307 -17.395 -0.064 1.00 62.00 H new ATOM 0 HG22 VAL A 20 20.205 -17.496 -1.838 1.00 62.00 H new ATOM 0 HG23 VAL A 20 21.363 -18.517 -0.953 1.00 62.00 H new ATOM 273 N GLY A 21 22.992 -18.992 -2.925 1.00 2.12 N ATOM 274 CA GLY A 21 23.649 -20.286 -2.903 1.00 45.54 C ATOM 275 C GLY A 21 22.833 -21.339 -2.181 1.00 4.35 C ATOM 276 O GLY A 21 23.082 -22.535 -2.328 1.00 41.45 O ATOM 0 H GLY A 21 22.113 -18.966 -3.443 1.00 2.12 H new ATOM 0 HA2 GLY A 21 23.834 -20.613 -3.926 1.00 45.54 H new ATOM 0 HA3 GLY A 21 24.620 -20.188 -2.418 1.00 45.54 H new ATOM 280 N GLU A 22 21.858 -20.893 -1.395 1.00 74.23 N ATOM 281 CA GLU A 22 21.004 -21.807 -0.645 1.00 24.11 C ATOM 282 C GLU A 22 20.027 -22.523 -1.572 1.00 34.51 C ATOM 283 O GLU A 22 18.850 -22.169 -1.644 1.00 34.33 O ATOM 284 CB GLU A 22 20.235 -21.048 0.438 1.00 33.42 C ATOM 285 CG GLU A 22 21.125 -20.470 1.525 1.00 32.15 C ATOM 286 CD GLU A 22 20.411 -19.436 2.375 1.00 64.12 C ATOM 287 OE1 GLU A 22 19.163 -19.436 2.387 1.00 71.25 O ATOM 288 OE2 GLU A 22 21.103 -18.627 3.028 1.00 12.31 O ATOM 0 H GLU A 22 21.640 -19.906 -1.261 1.00 74.23 H new ATOM 0 HA GLU A 22 21.641 -22.554 -0.172 1.00 24.11 H new ATOM 0 HB2 GLU A 22 19.672 -20.239 -0.027 1.00 33.42 H new ATOM 0 HB3 GLU A 22 19.508 -21.720 0.894 1.00 33.42 H new ATOM 0 HG2 GLU A 22 21.482 -21.277 2.165 1.00 32.15 H new ATOM 0 HG3 GLU A 22 22.003 -20.015 1.067 1.00 32.15 H new ATOM 295 N TYR A 23 20.523 -23.532 -2.280 1.00 33.03 N ATOM 296 CA TYR A 23 19.695 -24.297 -3.205 1.00 12.23 C ATOM 297 C TYR A 23 20.433 -25.537 -3.699 1.00 42.12 C ATOM 298 O TYR A 23 21.662 -25.603 -3.653 1.00 13.15 O ATOM 299 CB TYR A 23 19.284 -23.426 -4.393 1.00 71.35 C ATOM 300 CG TYR A 23 20.443 -23.019 -5.275 1.00 10.44 C ATOM 301 CD1 TYR A 23 21.156 -21.853 -5.023 1.00 63.21 C ATOM 302 CD2 TYR A 23 20.825 -23.800 -6.358 1.00 44.34 C ATOM 303 CE1 TYR A 23 22.215 -21.477 -5.826 1.00 43.41 C ATOM 304 CE2 TYR A 23 21.884 -23.432 -7.166 1.00 2.41 C ATOM 305 CZ TYR A 23 22.576 -22.269 -6.896 1.00 74.10 C ATOM 306 OH TYR A 23 23.631 -21.898 -7.697 1.00 70.14 O ATOM 0 H TYR A 23 21.494 -23.839 -2.231 1.00 33.03 H new ATOM 0 HA TYR A 23 18.800 -24.618 -2.672 1.00 12.23 H new ATOM 0 HB2 TYR A 23 18.553 -23.967 -4.994 1.00 71.35 H new ATOM 0 HB3 TYR A 23 18.789 -22.529 -4.021 1.00 71.35 H new ATOM 0 HD1 TYR A 23 20.877 -21.231 -4.185 1.00 63.21 H new ATOM 0 HD2 TYR A 23 20.285 -24.711 -6.572 1.00 44.34 H new ATOM 0 HE1 TYR A 23 22.758 -20.567 -5.617 1.00 43.41 H new ATOM 0 HE2 TYR A 23 22.168 -24.051 -8.004 1.00 2.41 H new ATOM 0 HH TYR A 23 23.619 -22.428 -8.521 1.00 70.14 H new ATOM 316 N LYS A 24 19.675 -26.519 -4.174 1.00 34.01 N ATOM 317 CA LYS A 24 20.254 -27.758 -4.680 1.00 11.32 C ATOM 318 C LYS A 24 20.142 -27.830 -6.199 1.00 73.03 C ATOM 319 O LYS A 24 19.332 -28.587 -6.737 1.00 10.41 O ATOM 320 CB LYS A 24 19.558 -28.966 -4.048 1.00 51.44 C ATOM 321 CG LYS A 24 20.059 -29.295 -2.653 1.00 32.41 C ATOM 322 CD LYS A 24 21.227 -30.266 -2.695 1.00 20.22 C ATOM 323 CE LYS A 24 20.750 -31.709 -2.764 1.00 45.15 C ATOM 324 NZ LYS A 24 21.883 -32.659 -2.939 1.00 64.43 N ATOM 0 H LYS A 24 18.657 -26.481 -4.219 1.00 34.01 H new ATOM 0 HA LYS A 24 21.310 -27.773 -4.410 1.00 11.32 H new ATOM 0 HB2 LYS A 24 18.486 -28.775 -4.004 1.00 51.44 H new ATOM 0 HB3 LYS A 24 19.701 -29.835 -4.691 1.00 51.44 H new ATOM 0 HG2 LYS A 24 20.365 -28.378 -2.150 1.00 32.41 H new ATOM 0 HG3 LYS A 24 19.248 -29.725 -2.066 1.00 32.41 H new ATOM 0 HD2 LYS A 24 21.853 -30.047 -3.560 1.00 20.22 H new ATOM 0 HD3 LYS A 24 21.848 -30.129 -1.810 1.00 20.22 H new ATOM 0 HE2 LYS A 24 20.206 -31.956 -1.852 1.00 45.15 H new ATOM 0 HE3 LYS A 24 20.051 -31.821 -3.592 1.00 45.15 H new ATOM 0 HZ1 LYS A 24 21.517 -33.632 -2.982 1.00 64.43 H new ATOM 0 HZ2 LYS A 24 22.387 -32.440 -3.822 1.00 64.43 H new ATOM 0 HZ3 LYS A 24 22.538 -32.570 -2.136 1.00 64.43 H new ATOM 338 N LEU A 25 20.960 -27.040 -6.886 1.00 75.34 N ATOM 339 CA LEU A 25 20.953 -27.016 -8.345 1.00 42.10 C ATOM 340 C LEU A 25 22.354 -26.760 -8.891 1.00 62.34 C ATOM 341 O LEU A 25 23.285 -26.478 -8.136 1.00 32.02 O ATOM 342 CB LEU A 25 19.991 -25.940 -8.853 1.00 24.33 C ATOM 343 CG LEU A 25 18.610 -25.912 -8.198 1.00 72.31 C ATOM 344 CD1 LEU A 25 17.903 -24.600 -8.499 1.00 2.44 C ATOM 345 CD2 LEU A 25 17.772 -27.091 -8.671 1.00 32.54 C ATOM 0 H LEU A 25 21.636 -26.408 -6.457 1.00 75.34 H new ATOM 0 HA LEU A 25 20.617 -27.991 -8.698 1.00 42.10 H new ATOM 0 HB2 LEU A 25 20.459 -24.966 -8.710 1.00 24.33 H new ATOM 0 HB3 LEU A 25 19.859 -26.076 -9.926 1.00 24.33 H new ATOM 0 HG LEU A 25 18.739 -25.992 -7.119 1.00 72.31 H new ATOM 0 HD11 LEU A 25 16.922 -24.598 -8.025 1.00 2.44 H new ATOM 0 HD12 LEU A 25 18.495 -23.771 -8.112 1.00 2.44 H new ATOM 0 HD13 LEU A 25 17.785 -24.489 -9.577 1.00 2.44 H new ATOM 0 HD21 LEU A 25 16.792 -27.055 -8.195 1.00 32.54 H new ATOM 0 HD22 LEU A 25 17.652 -27.041 -9.753 1.00 32.54 H new ATOM 0 HD23 LEU A 25 18.271 -28.023 -8.404 1.00 32.54 H new ATOM 357 N HIS A 26 22.497 -26.859 -10.209 1.00 60.13 N ATOM 358 CA HIS A 26 23.784 -26.636 -10.858 1.00 4.23 C ATOM 359 C HIS A 26 24.054 -25.144 -11.030 1.00 63.01 C ATOM 360 O HIS A 26 23.220 -24.307 -10.685 1.00 74.22 O ATOM 361 CB HIS A 26 23.822 -27.333 -12.218 1.00 21.33 C ATOM 362 CG HIS A 26 24.206 -28.779 -12.139 1.00 53.10 C ATOM 363 ND1 HIS A 26 25.453 -29.206 -11.735 1.00 42.40 N ATOM 364 CD2 HIS A 26 23.497 -29.899 -12.414 1.00 23.12 C ATOM 365 CE1 HIS A 26 25.496 -30.526 -11.766 1.00 40.44 C ATOM 366 NE2 HIS A 26 24.321 -30.971 -12.174 1.00 65.15 N ATOM 0 H HIS A 26 21.737 -27.092 -10.848 1.00 60.13 H new ATOM 0 HA HIS A 26 24.562 -27.058 -10.221 1.00 4.23 H new ATOM 0 HB2 HIS A 26 22.841 -27.251 -12.687 1.00 21.33 H new ATOM 0 HB3 HIS A 26 24.529 -26.813 -12.864 1.00 21.33 H new ATOM 0 HD2 HIS A 26 22.474 -29.941 -12.758 1.00 23.12 H new ATOM 0 HE1 HIS A 26 26.347 -31.137 -11.503 1.00 40.44 H new ATOM 0 HE2 HIS A 26 24.067 -31.952 -12.292 1.00 65.15 H new ATOM 374 N LYS A 27 25.226 -24.818 -11.565 1.00 51.31 N ATOM 375 CA LYS A 27 25.607 -23.427 -11.784 1.00 72.42 C ATOM 376 C LYS A 27 24.793 -22.813 -12.918 1.00 41.45 C ATOM 377 O LYS A 27 24.605 -21.598 -12.973 1.00 35.14 O ATOM 378 CB LYS A 27 27.100 -23.331 -12.103 1.00 44.52 C ATOM 379 CG LYS A 27 27.991 -23.418 -10.876 1.00 63.22 C ATOM 380 CD LYS A 27 28.193 -24.858 -10.435 1.00 73.30 C ATOM 381 CE LYS A 27 29.121 -24.949 -9.234 1.00 1.54 C ATOM 382 NZ LYS A 27 29.736 -26.299 -9.108 1.00 42.12 N ATOM 0 H LYS A 27 25.929 -25.498 -11.855 1.00 51.31 H new ATOM 0 HA LYS A 27 25.401 -22.871 -10.870 1.00 72.42 H new ATOM 0 HB2 LYS A 27 27.368 -24.131 -12.793 1.00 44.52 H new ATOM 0 HB3 LYS A 27 27.293 -22.389 -12.616 1.00 44.52 H new ATOM 0 HG2 LYS A 27 28.958 -22.964 -11.094 1.00 63.22 H new ATOM 0 HG3 LYS A 27 27.547 -22.846 -10.061 1.00 63.22 H new ATOM 0 HD2 LYS A 27 27.229 -25.302 -10.186 1.00 73.30 H new ATOM 0 HD3 LYS A 27 28.607 -25.438 -11.260 1.00 73.30 H new ATOM 0 HE2 LYS A 27 29.907 -24.199 -9.325 1.00 1.54 H new ATOM 0 HE3 LYS A 27 28.564 -24.718 -8.326 1.00 1.54 H new ATOM 0 HZ1 LYS A 27 30.361 -26.319 -8.277 1.00 42.12 H new ATOM 0 HZ2 LYS A 27 28.988 -27.012 -8.996 1.00 42.12 H new ATOM 0 HZ3 LYS A 27 30.289 -26.510 -9.963 1.00 42.12 H new ATOM 396 N GLY A 28 24.312 -23.660 -13.823 1.00 34.33 N ATOM 397 CA GLY A 28 23.523 -23.181 -14.942 1.00 75.35 C ATOM 398 C GLY A 28 22.083 -22.901 -14.559 1.00 40.35 C ATOM 399 O GLY A 28 21.402 -22.109 -15.212 1.00 23.21 O ATOM 0 H GLY A 28 24.455 -24.670 -13.801 1.00 34.33 H new ATOM 0 HA2 GLY A 28 23.974 -22.271 -15.337 1.00 75.35 H new ATOM 0 HA3 GLY A 28 23.546 -23.921 -15.742 1.00 75.35 H new ATOM 403 N VAL A 29 21.617 -23.552 -13.499 1.00 34.22 N ATOM 404 CA VAL A 29 20.248 -23.369 -13.030 1.00 62.30 C ATOM 405 C VAL A 29 20.061 -21.992 -12.405 1.00 1.35 C ATOM 406 O VAL A 29 19.136 -21.259 -12.755 1.00 11.33 O ATOM 407 CB VAL A 29 19.859 -24.446 -12.000 1.00 23.04 C ATOM 408 CG1 VAL A 29 18.378 -24.355 -11.665 1.00 62.01 C ATOM 409 CG2 VAL A 29 20.213 -25.832 -12.518 1.00 40.32 C ATOM 0 H VAL A 29 22.167 -24.211 -12.948 1.00 34.22 H new ATOM 0 HA VAL A 29 19.600 -23.460 -13.902 1.00 62.30 H new ATOM 0 HB VAL A 29 20.425 -24.270 -11.085 1.00 23.04 H new ATOM 0 HG11 VAL A 29 18.122 -25.124 -10.936 1.00 62.01 H new ATOM 0 HG12 VAL A 29 18.159 -23.372 -11.248 1.00 62.01 H new ATOM 0 HG13 VAL A 29 17.790 -24.504 -12.571 1.00 62.01 H new ATOM 0 HG21 VAL A 29 19.931 -26.580 -11.777 1.00 40.32 H new ATOM 0 HG22 VAL A 29 19.676 -26.021 -13.447 1.00 40.32 H new ATOM 0 HG23 VAL A 29 21.286 -25.889 -12.701 1.00 40.32 H new ATOM 419 N LYS A 30 20.946 -21.644 -11.476 1.00 61.43 N ATOM 420 CA LYS A 30 20.881 -20.353 -10.802 1.00 23.44 C ATOM 421 C LYS A 30 20.938 -19.209 -11.809 1.00 34.50 C ATOM 422 O LYS A 30 20.354 -18.147 -11.591 1.00 63.33 O ATOM 423 CB LYS A 30 22.029 -20.221 -9.799 1.00 4.25 C ATOM 424 CG LYS A 30 23.385 -20.010 -10.450 1.00 40.42 C ATOM 425 CD LYS A 30 23.753 -18.536 -10.507 1.00 71.43 C ATOM 426 CE LYS A 30 24.573 -18.119 -9.296 1.00 34.32 C ATOM 427 NZ LYS A 30 26.027 -18.363 -9.500 1.00 4.11 N ATOM 0 H LYS A 30 21.717 -22.239 -11.173 1.00 61.43 H new ATOM 0 HA LYS A 30 19.932 -20.297 -10.269 1.00 23.44 H new ATOM 0 HB2 LYS A 30 21.822 -19.385 -9.131 1.00 4.25 H new ATOM 0 HB3 LYS A 30 22.067 -21.119 -9.183 1.00 4.25 H new ATOM 0 HG2 LYS A 30 24.146 -20.555 -9.892 1.00 40.42 H new ATOM 0 HG3 LYS A 30 23.373 -20.422 -11.459 1.00 40.42 H new ATOM 0 HD2 LYS A 30 24.319 -18.336 -11.417 1.00 71.43 H new ATOM 0 HD3 LYS A 30 22.845 -17.935 -10.557 1.00 71.43 H new ATOM 0 HE2 LYS A 30 24.407 -17.061 -9.092 1.00 34.32 H new ATOM 0 HE3 LYS A 30 24.232 -18.670 -8.419 1.00 34.32 H new ATOM 0 HZ1 LYS A 30 26.551 -18.066 -8.652 1.00 4.11 H new ATOM 0 HZ2 LYS A 30 26.189 -19.376 -9.669 1.00 4.11 H new ATOM 0 HZ3 LYS A 30 26.359 -17.818 -10.321 1.00 4.11 H new ATOM 441 N LYS A 31 21.642 -19.434 -12.913 1.00 2.40 N ATOM 442 CA LYS A 31 21.773 -18.423 -13.956 1.00 72.31 C ATOM 443 C LYS A 31 20.402 -17.959 -14.438 1.00 43.24 C ATOM 444 O LYS A 31 20.245 -16.826 -14.891 1.00 73.04 O ATOM 445 CB LYS A 31 22.579 -18.977 -15.133 1.00 73.33 C ATOM 446 CG LYS A 31 24.074 -18.736 -15.014 1.00 75.11 C ATOM 447 CD LYS A 31 24.841 -19.437 -16.122 1.00 45.24 C ATOM 448 CE LYS A 31 24.656 -18.735 -17.459 1.00 34.10 C ATOM 449 NZ LYS A 31 24.867 -19.661 -18.606 1.00 21.22 N ATOM 0 H LYS A 31 22.131 -20.308 -13.109 1.00 2.40 H new ATOM 0 HA LYS A 31 22.299 -17.567 -13.534 1.00 72.31 H new ATOM 0 HB2 LYS A 31 22.398 -20.049 -15.214 1.00 73.33 H new ATOM 0 HB3 LYS A 31 22.218 -18.522 -16.056 1.00 73.33 H new ATOM 0 HG2 LYS A 31 24.275 -17.665 -15.052 1.00 75.11 H new ATOM 0 HG3 LYS A 31 24.425 -19.092 -14.045 1.00 75.11 H new ATOM 0 HD2 LYS A 31 25.901 -19.467 -15.869 1.00 45.24 H new ATOM 0 HD3 LYS A 31 24.503 -20.470 -16.203 1.00 45.24 H new ATOM 0 HE2 LYS A 31 23.652 -18.314 -17.512 1.00 34.10 H new ATOM 0 HE3 LYS A 31 25.355 -17.902 -17.532 1.00 34.10 H new ATOM 0 HZ1 LYS A 31 24.732 -19.145 -19.499 1.00 21.22 H new ATOM 0 HZ2 LYS A 31 25.833 -20.043 -18.570 1.00 21.22 H new ATOM 0 HZ3 LYS A 31 24.183 -20.443 -18.551 1.00 21.22 H new ATOM 463 N ASN A 32 19.414 -18.841 -14.336 1.00 73.33 N ATOM 464 CA ASN A 32 18.056 -18.521 -14.761 1.00 50.45 C ATOM 465 C ASN A 32 17.366 -17.618 -13.743 1.00 50.13 C ATOM 466 O ASN A 32 16.547 -16.772 -14.103 1.00 51.14 O ATOM 467 CB ASN A 32 17.244 -19.803 -14.956 1.00 10.31 C ATOM 468 CG ASN A 32 16.142 -19.639 -15.985 1.00 12.44 C ATOM 469 OD1 ASN A 32 15.429 -18.635 -15.992 1.00 51.01 O ATOM 470 ND2 ASN A 32 15.997 -20.627 -16.859 1.00 63.25 N ATOM 0 H ASN A 32 19.528 -19.783 -13.963 1.00 73.33 H new ATOM 0 HA ASN A 32 18.115 -17.989 -15.711 1.00 50.45 H new ATOM 0 HB2 ASN A 32 17.910 -20.608 -15.266 1.00 10.31 H new ATOM 0 HB3 ASN A 32 16.806 -20.101 -14.003 1.00 10.31 H new ATOM 0 HD21 ASN A 32 15.272 -20.573 -17.574 1.00 63.25 H new ATOM 0 HD22 ASN A 32 16.611 -21.440 -16.816 1.00 63.25 H new ATOM 477 N ILE A 33 17.703 -17.804 -12.472 1.00 2.14 N ATOM 478 CA ILE A 33 17.118 -17.005 -11.402 1.00 33.41 C ATOM 479 C ILE A 33 17.676 -15.587 -11.406 1.00 44.41 C ATOM 480 O ILE A 33 16.924 -14.613 -11.411 1.00 33.23 O ATOM 481 CB ILE A 33 17.371 -17.641 -10.022 1.00 11.30 C ATOM 482 CG1 ILE A 33 17.011 -19.128 -10.047 1.00 14.40 C ATOM 483 CG2 ILE A 33 16.572 -16.915 -8.950 1.00 2.50 C ATOM 484 CD1 ILE A 33 15.578 -19.395 -10.450 1.00 75.35 C ATOM 0 H ILE A 33 18.378 -18.501 -12.157 1.00 2.14 H new ATOM 0 HA ILE A 33 16.044 -16.970 -11.586 1.00 33.41 H new ATOM 0 HB ILE A 33 18.431 -17.547 -9.784 1.00 11.30 H new ATOM 0 HG12 ILE A 33 17.677 -19.643 -10.739 1.00 14.40 H new ATOM 0 HG13 ILE A 33 17.187 -19.553 -9.059 1.00 14.40 H new ATOM 0 HG21 ILE A 33 16.761 -17.376 -7.981 1.00 2.50 H new ATOM 0 HG22 ILE A 33 16.873 -15.868 -8.919 1.00 2.50 H new ATOM 0 HG23 ILE A 33 15.509 -16.981 -9.182 1.00 2.50 H new ATOM 0 HD11 ILE A 33 15.393 -20.469 -10.446 1.00 75.35 H new ATOM 0 HD12 ILE A 33 14.905 -18.908 -9.744 1.00 75.35 H new ATOM 0 HD13 ILE A 33 15.402 -19.000 -11.451 1.00 75.35 H new ATOM 496 N GLU A 34 19.001 -15.478 -11.406 1.00 63.02 N ATOM 497 CA GLU A 34 19.661 -14.177 -11.411 1.00 75.30 C ATOM 498 C GLU A 34 19.151 -13.314 -12.561 1.00 45.35 C ATOM 499 O GLU A 34 19.112 -12.087 -12.461 1.00 24.30 O ATOM 500 CB GLU A 34 21.177 -14.350 -11.520 1.00 50.35 C ATOM 501 CG GLU A 34 21.641 -14.793 -12.898 1.00 3.33 C ATOM 502 CD GLU A 34 23.152 -14.865 -13.009 1.00 11.21 C ATOM 503 OE1 GLU A 34 23.815 -15.071 -11.971 1.00 34.31 O ATOM 504 OE2 GLU A 34 23.671 -14.715 -14.135 1.00 1.22 O ATOM 0 H GLU A 34 19.638 -16.274 -11.403 1.00 63.02 H new ATOM 0 HA GLU A 34 19.428 -13.675 -10.472 1.00 75.30 H new ATOM 0 HB2 GLU A 34 21.661 -13.406 -11.269 1.00 50.35 H new ATOM 0 HB3 GLU A 34 21.505 -15.083 -10.782 1.00 50.35 H new ATOM 0 HG2 GLU A 34 21.217 -15.771 -13.123 1.00 3.33 H new ATOM 0 HG3 GLU A 34 21.258 -14.100 -13.647 1.00 3.33 H new ATOM 511 N ASP A 35 18.763 -13.963 -13.654 1.00 1.35 N ATOM 512 CA ASP A 35 18.256 -13.255 -14.824 1.00 32.34 C ATOM 513 C ASP A 35 16.903 -12.616 -14.528 1.00 35.31 C ATOM 514 O ASP A 35 16.678 -11.443 -14.830 1.00 64.53 O ATOM 515 CB ASP A 35 18.134 -14.212 -16.011 1.00 13.30 C ATOM 516 CG ASP A 35 19.464 -14.459 -16.694 1.00 62.13 C ATOM 517 OD1 ASP A 35 20.509 -14.338 -16.021 1.00 1.12 O ATOM 518 OD2 ASP A 35 19.461 -14.775 -17.902 1.00 54.23 O ATOM 0 H ASP A 35 18.790 -14.978 -13.754 1.00 1.35 H new ATOM 0 HA ASP A 35 18.963 -12.465 -15.076 1.00 32.34 H new ATOM 0 HB2 ASP A 35 17.723 -15.162 -15.668 1.00 13.30 H new ATOM 0 HB3 ASP A 35 17.428 -13.802 -16.734 1.00 13.30 H new ATOM 523 N LEU A 36 16.003 -13.395 -13.936 1.00 42.24 N ATOM 524 CA LEU A 36 14.671 -12.906 -13.600 1.00 54.45 C ATOM 525 C LEU A 36 14.751 -11.724 -12.640 1.00 14.53 C ATOM 526 O LEU A 36 14.049 -10.725 -12.807 1.00 35.33 O ATOM 527 CB LEU A 36 13.836 -14.027 -12.979 1.00 52.21 C ATOM 528 CG LEU A 36 12.333 -13.979 -13.259 1.00 64.34 C ATOM 529 CD1 LEU A 36 12.057 -14.228 -14.734 1.00 44.32 C ATOM 530 CD2 LEU A 36 11.598 -14.996 -12.399 1.00 31.04 C ATOM 0 H LEU A 36 16.172 -14.368 -13.679 1.00 42.24 H new ATOM 0 HA LEU A 36 14.191 -12.571 -14.520 1.00 54.45 H new ATOM 0 HB2 LEU A 36 14.222 -14.981 -13.338 1.00 52.21 H new ATOM 0 HB3 LEU A 36 13.985 -14.008 -11.899 1.00 52.21 H new ATOM 0 HG LEU A 36 11.967 -12.984 -13.004 1.00 64.34 H new ATOM 0 HD11 LEU A 36 10.983 -14.190 -14.915 1.00 44.32 H new ATOM 0 HD12 LEU A 36 12.553 -13.463 -15.331 1.00 44.32 H new ATOM 0 HD13 LEU A 36 12.438 -15.210 -15.015 1.00 44.32 H new ATOM 0 HD21 LEU A 36 10.530 -14.948 -12.611 1.00 31.04 H new ATOM 0 HD22 LEU A 36 11.968 -15.997 -12.623 1.00 31.04 H new ATOM 0 HD23 LEU A 36 11.769 -14.773 -11.346 1.00 31.04 H new ATOM 542 N LEU A 37 15.612 -11.842 -11.635 1.00 53.21 N ATOM 543 CA LEU A 37 15.786 -10.782 -10.648 1.00 50.21 C ATOM 544 C LEU A 37 16.271 -9.496 -11.310 1.00 15.22 C ATOM 545 O LEU A 37 15.909 -8.395 -10.893 1.00 32.34 O ATOM 546 CB LEU A 37 16.779 -11.220 -9.570 1.00 43.23 C ATOM 547 CG LEU A 37 17.244 -10.130 -8.603 1.00 71.42 C ATOM 548 CD1 LEU A 37 16.057 -9.526 -7.870 1.00 33.14 C ATOM 549 CD2 LEU A 37 18.255 -10.691 -7.614 1.00 21.40 C ATOM 0 H LEU A 37 16.200 -12.661 -11.482 1.00 53.21 H new ATOM 0 HA LEU A 37 14.819 -10.588 -10.185 1.00 50.21 H new ATOM 0 HB2 LEU A 37 16.324 -12.023 -8.990 1.00 43.23 H new ATOM 0 HB3 LEU A 37 17.656 -11.640 -10.062 1.00 43.23 H new ATOM 0 HG LEU A 37 17.728 -9.342 -9.179 1.00 71.42 H new ATOM 0 HD11 LEU A 37 16.407 -8.752 -7.186 1.00 33.14 H new ATOM 0 HD12 LEU A 37 15.368 -9.088 -8.592 1.00 33.14 H new ATOM 0 HD13 LEU A 37 15.544 -10.304 -7.305 1.00 33.14 H new ATOM 0 HD21 LEU A 37 18.575 -9.902 -6.934 1.00 21.40 H new ATOM 0 HD22 LEU A 37 17.796 -11.498 -7.043 1.00 21.40 H new ATOM 0 HD23 LEU A 37 19.119 -11.075 -8.156 1.00 21.40 H new ATOM 561 N LYS A 38 17.090 -9.642 -12.346 1.00 13.13 N ATOM 562 CA LYS A 38 17.622 -8.493 -13.069 1.00 31.11 C ATOM 563 C LYS A 38 16.507 -7.737 -13.785 1.00 3.23 C ATOM 564 O LYS A 38 16.436 -6.510 -13.718 1.00 33.32 O ATOM 565 CB LYS A 38 18.677 -8.946 -14.081 1.00 1.42 C ATOM 566 CG LYS A 38 19.292 -7.803 -14.871 1.00 32.14 C ATOM 567 CD LYS A 38 19.436 -8.156 -16.341 1.00 64.33 C ATOM 568 CE LYS A 38 20.839 -7.860 -16.850 1.00 71.34 C ATOM 569 NZ LYS A 38 21.027 -8.318 -18.255 1.00 2.21 N ATOM 0 H LYS A 38 17.400 -10.545 -12.704 1.00 13.13 H new ATOM 0 HA LYS A 38 18.085 -7.822 -12.345 1.00 31.11 H new ATOM 0 HB2 LYS A 38 19.468 -9.480 -13.554 1.00 1.42 H new ATOM 0 HB3 LYS A 38 18.223 -9.653 -14.775 1.00 1.42 H new ATOM 0 HG2 LYS A 38 18.671 -6.913 -14.769 1.00 32.14 H new ATOM 0 HG3 LYS A 38 20.270 -7.558 -14.457 1.00 32.14 H new ATOM 0 HD2 LYS A 38 19.210 -9.212 -16.487 1.00 64.33 H new ATOM 0 HD3 LYS A 38 18.709 -7.591 -16.925 1.00 64.33 H new ATOM 0 HE2 LYS A 38 21.029 -6.788 -16.789 1.00 71.34 H new ATOM 0 HE3 LYS A 38 21.570 -8.351 -16.207 1.00 71.34 H new ATOM 0 HZ1 LYS A 38 21.995 -8.098 -18.565 1.00 2.21 H new ATOM 0 HZ2 LYS A 38 20.870 -9.345 -18.309 1.00 2.21 H new ATOM 0 HZ3 LYS A 38 20.347 -7.831 -18.873 1.00 2.21 H new ATOM 583 N GLU A 39 15.640 -8.477 -14.468 1.00 33.24 N ATOM 584 CA GLU A 39 14.529 -7.875 -15.195 1.00 15.23 C ATOM 585 C GLU A 39 13.500 -7.291 -14.230 1.00 41.24 C ATOM 586 O GLU A 39 12.892 -6.255 -14.505 1.00 63.21 O ATOM 587 CB GLU A 39 13.862 -8.911 -16.102 1.00 62.02 C ATOM 588 CG GLU A 39 14.796 -9.494 -17.149 1.00 45.32 C ATOM 589 CD GLU A 39 14.116 -10.523 -18.030 1.00 52.04 C ATOM 590 OE1 GLU A 39 14.103 -11.713 -17.653 1.00 24.13 O ATOM 591 OE2 GLU A 39 13.595 -10.137 -19.098 1.00 70.51 O ATOM 0 H GLU A 39 15.685 -9.494 -14.533 1.00 33.24 H new ATOM 0 HA GLU A 39 14.926 -7.067 -15.809 1.00 15.23 H new ATOM 0 HB2 GLU A 39 13.469 -9.720 -15.487 1.00 62.02 H new ATOM 0 HB3 GLU A 39 13.011 -8.449 -16.603 1.00 62.02 H new ATOM 0 HG2 GLU A 39 15.185 -8.689 -17.772 1.00 45.32 H new ATOM 0 HG3 GLU A 39 15.650 -9.954 -16.652 1.00 45.32 H new ATOM 598 N LEU A 40 13.310 -7.962 -13.100 1.00 30.20 N ATOM 599 CA LEU A 40 12.355 -7.511 -12.094 1.00 31.33 C ATOM 600 C LEU A 40 12.875 -6.277 -11.364 1.00 53.20 C ATOM 601 O LEU A 40 12.102 -5.403 -10.972 1.00 13.53 O ATOM 602 CB LEU A 40 12.075 -8.631 -11.090 1.00 20.12 C ATOM 603 CG LEU A 40 10.844 -9.493 -11.371 1.00 54.34 C ATOM 604 CD1 LEU A 40 9.570 -8.688 -11.164 1.00 41.42 C ATOM 605 CD2 LEU A 40 10.898 -10.055 -12.785 1.00 14.55 C ATOM 0 H LEU A 40 13.804 -8.820 -12.857 1.00 30.20 H new ATOM 0 HA LEU A 40 11.428 -7.246 -12.602 1.00 31.33 H new ATOM 0 HB2 LEU A 40 12.948 -9.282 -11.050 1.00 20.12 H new ATOM 0 HB3 LEU A 40 11.964 -8.186 -10.101 1.00 20.12 H new ATOM 0 HG LEU A 40 10.840 -10.327 -10.669 1.00 54.34 H new ATOM 0 HD11 LEU A 40 8.704 -9.318 -11.369 1.00 41.42 H new ATOM 0 HD12 LEU A 40 9.526 -8.335 -10.134 1.00 41.42 H new ATOM 0 HD13 LEU A 40 9.565 -7.834 -11.841 1.00 41.42 H new ATOM 0 HD21 LEU A 40 10.014 -10.666 -12.968 1.00 14.55 H new ATOM 0 HD22 LEU A 40 10.926 -9.234 -13.502 1.00 14.55 H new ATOM 0 HD23 LEU A 40 11.792 -10.668 -12.899 1.00 14.55 H new ATOM 617 N LYS A 41 14.190 -6.211 -11.187 1.00 12.31 N ATOM 618 CA LYS A 41 14.815 -5.082 -10.508 1.00 21.12 C ATOM 619 C LYS A 41 14.420 -3.764 -11.166 1.00 60.12 C ATOM 620 O LYS A 41 14.309 -2.734 -10.501 1.00 4.32 O ATOM 621 CB LYS A 41 16.338 -5.234 -10.519 1.00 11.41 C ATOM 622 CG LYS A 41 16.888 -5.941 -9.292 1.00 53.04 C ATOM 623 CD LYS A 41 16.978 -5.002 -8.101 1.00 64.20 C ATOM 624 CE LYS A 41 17.803 -5.608 -6.976 1.00 10.14 C ATOM 625 NZ LYS A 41 19.263 -5.549 -7.264 1.00 32.21 N ATOM 0 H LYS A 41 14.844 -6.926 -11.504 1.00 12.31 H new ATOM 0 HA LYS A 41 14.464 -5.071 -9.476 1.00 21.12 H new ATOM 0 HB2 LYS A 41 16.633 -5.788 -11.410 1.00 11.41 H new ATOM 0 HB3 LYS A 41 16.793 -4.246 -10.593 1.00 11.41 H new ATOM 0 HG2 LYS A 41 16.249 -6.788 -9.042 1.00 53.04 H new ATOM 0 HG3 LYS A 41 17.876 -6.343 -9.515 1.00 53.04 H new ATOM 0 HD2 LYS A 41 17.424 -4.058 -8.413 1.00 64.20 H new ATOM 0 HD3 LYS A 41 15.975 -4.776 -7.738 1.00 64.20 H new ATOM 0 HE2 LYS A 41 17.595 -5.078 -6.047 1.00 10.14 H new ATOM 0 HE3 LYS A 41 17.504 -6.645 -6.825 1.00 10.14 H new ATOM 0 HZ1 LYS A 41 19.795 -5.862 -6.427 1.00 32.21 H new ATOM 0 HZ2 LYS A 41 19.484 -6.172 -8.067 1.00 32.21 H new ATOM 0 HZ3 LYS A 41 19.531 -4.572 -7.500 1.00 32.21 H new ATOM 639 N THR A 42 14.207 -3.803 -12.478 1.00 33.51 N ATOM 640 CA THR A 42 13.824 -2.613 -13.226 1.00 55.10 C ATOM 641 C THR A 42 12.356 -2.269 -12.998 1.00 60.02 C ATOM 642 O THR A 42 11.984 -1.097 -12.951 1.00 32.04 O ATOM 643 CB THR A 42 14.068 -2.795 -14.736 1.00 31.41 C ATOM 644 OG1 THR A 42 13.154 -3.762 -15.267 1.00 4.13 O ATOM 645 CG2 THR A 42 15.498 -3.241 -15.003 1.00 34.33 C ATOM 0 H THR A 42 14.294 -4.647 -13.044 1.00 33.51 H new ATOM 0 HA THR A 42 14.447 -1.797 -12.861 1.00 55.10 H new ATOM 0 HB THR A 42 13.906 -1.835 -15.226 1.00 31.41 H new ATOM 0 HG1 THR A 42 13.271 -4.615 -14.798 1.00 4.13 H new ATOM 0 HG21 THR A 42 15.647 -3.363 -16.076 1.00 34.33 H new ATOM 0 HG22 THR A 42 16.190 -2.489 -14.624 1.00 34.33 H new ATOM 0 HG23 THR A 42 15.683 -4.191 -14.501 1.00 34.33 H new ATOM 653 N MET A 43 11.527 -3.298 -12.857 1.00 71.14 N ATOM 654 CA MET A 43 10.099 -3.103 -12.632 1.00 63.43 C ATOM 655 C MET A 43 9.847 -2.440 -11.282 1.00 43.53 C ATOM 656 O MET A 43 9.078 -1.484 -11.184 1.00 62.40 O ATOM 657 CB MET A 43 9.363 -4.443 -12.700 1.00 42.14 C ATOM 658 CG MET A 43 8.791 -4.753 -14.074 1.00 51.41 C ATOM 659 SD MET A 43 10.050 -4.761 -15.365 1.00 55.42 S ATOM 660 CE MET A 43 9.676 -6.304 -16.193 1.00 31.52 C ATOM 0 H MET A 43 11.819 -4.275 -12.894 1.00 71.14 H new ATOM 0 HA MET A 43 9.719 -2.447 -13.416 1.00 63.43 H new ATOM 0 HB2 MET A 43 10.049 -5.240 -12.413 1.00 42.14 H new ATOM 0 HB3 MET A 43 8.553 -4.441 -11.970 1.00 42.14 H new ATOM 0 HG2 MET A 43 8.298 -5.725 -14.047 1.00 51.41 H new ATOM 0 HG3 MET A 43 8.028 -4.015 -14.321 1.00 51.41 H new ATOM 0 HE1 MET A 43 10.549 -6.956 -16.159 1.00 31.52 H new ATOM 0 HE2 MET A 43 8.839 -6.792 -15.693 1.00 31.52 H new ATOM 0 HE3 MET A 43 9.412 -6.105 -17.232 1.00 31.52 H new ATOM 670 N ASN A 44 10.500 -2.952 -10.245 1.00 23.45 N ATOM 671 CA ASN A 44 10.346 -2.409 -8.900 1.00 33.21 C ATOM 672 C ASN A 44 10.740 -0.936 -8.860 1.00 13.21 C ATOM 673 O ASN A 44 10.009 -0.102 -8.325 1.00 44.25 O ATOM 674 CB ASN A 44 11.196 -3.203 -7.906 1.00 33.12 C ATOM 675 CG ASN A 44 11.241 -2.554 -6.536 1.00 52.20 C ATOM 676 OD1 ASN A 44 12.316 -2.294 -5.995 1.00 53.11 O ATOM 677 ND2 ASN A 44 10.070 -2.289 -5.968 1.00 51.12 N ATOM 0 H ASN A 44 11.141 -3.743 -10.310 1.00 23.45 H new ATOM 0 HA ASN A 44 9.296 -2.494 -8.619 1.00 33.21 H new ATOM 0 HB2 ASN A 44 10.795 -4.212 -7.814 1.00 33.12 H new ATOM 0 HB3 ASN A 44 12.210 -3.297 -8.294 1.00 33.12 H new ATOM 0 HD21 ASN A 44 10.037 -1.853 -5.047 1.00 51.12 H new ATOM 0 HD22 ASN A 44 9.204 -2.522 -6.453 1.00 51.12 H new ATOM 684 N ALA A 45 11.899 -0.623 -9.430 1.00 30.24 N ATOM 685 CA ALA A 45 12.389 0.749 -9.462 1.00 11.24 C ATOM 686 C ALA A 45 11.566 1.604 -10.420 1.00 20.33 C ATOM 687 O ALA A 45 11.464 2.819 -10.252 1.00 25.52 O ATOM 688 CB ALA A 45 13.858 0.776 -9.856 1.00 41.05 C ATOM 0 H ALA A 45 12.516 -1.302 -9.876 1.00 30.24 H new ATOM 0 HA ALA A 45 12.285 1.169 -8.462 1.00 11.24 H new ATOM 0 HB1 ALA A 45 14.210 1.807 -9.876 1.00 41.05 H new ATOM 0 HB2 ALA A 45 14.440 0.208 -9.130 1.00 41.05 H new ATOM 0 HB3 ALA A 45 13.978 0.333 -10.845 1.00 41.05 H new ATOM 694 N ALA A 46 10.981 0.961 -11.425 1.00 32.21 N ATOM 695 CA ALA A 46 10.166 1.662 -12.409 1.00 52.20 C ATOM 696 C ALA A 46 8.922 2.264 -11.763 1.00 61.35 C ATOM 697 O ALA A 46 8.593 3.429 -11.991 1.00 64.35 O ATOM 698 CB ALA A 46 9.774 0.720 -13.538 1.00 32.04 C ATOM 0 H ALA A 46 11.056 -0.044 -11.579 1.00 32.21 H new ATOM 0 HA ALA A 46 10.760 2.478 -12.821 1.00 52.20 H new ATOM 0 HB1 ALA A 46 9.166 1.257 -14.265 1.00 32.04 H new ATOM 0 HB2 ALA A 46 10.673 0.342 -14.025 1.00 32.04 H new ATOM 0 HB3 ALA A 46 9.202 -0.115 -13.133 1.00 32.04 H new ATOM 704 N LEU A 47 8.234 1.463 -10.958 1.00 34.13 N ATOM 705 CA LEU A 47 7.024 1.916 -10.279 1.00 5.31 C ATOM 706 C LEU A 47 7.307 3.151 -9.429 1.00 44.24 C ATOM 707 O LEU A 47 6.406 3.939 -9.142 1.00 74.12 O ATOM 708 CB LEU A 47 6.459 0.798 -9.401 1.00 52.34 C ATOM 709 CG LEU A 47 7.099 0.639 -8.022 1.00 61.30 C ATOM 710 CD1 LEU A 47 6.259 1.331 -6.960 1.00 41.42 C ATOM 711 CD2 LEU A 47 7.279 -0.834 -7.685 1.00 24.21 C ATOM 0 H LEU A 47 8.493 0.497 -10.759 1.00 34.13 H new ATOM 0 HA LEU A 47 6.288 2.180 -11.038 1.00 5.31 H new ATOM 0 HB2 LEU A 47 5.392 0.974 -9.266 1.00 52.34 H new ATOM 0 HB3 LEU A 47 6.561 -0.145 -9.938 1.00 52.34 H new ATOM 0 HG LEU A 47 8.082 1.110 -8.042 1.00 61.30 H new ATOM 0 HD11 LEU A 47 6.731 1.207 -5.985 1.00 41.42 H new ATOM 0 HD12 LEU A 47 6.181 2.393 -7.193 1.00 41.42 H new ATOM 0 HD13 LEU A 47 5.262 0.890 -6.940 1.00 41.42 H new ATOM 0 HD21 LEU A 47 7.736 -0.929 -6.700 1.00 24.21 H new ATOM 0 HD22 LEU A 47 6.307 -1.328 -7.683 1.00 24.21 H new ATOM 0 HD23 LEU A 47 7.923 -1.302 -8.430 1.00 24.21 H new ATOM 723 N ILE A 48 8.565 3.315 -9.033 1.00 30.53 N ATOM 724 CA ILE A 48 8.967 4.455 -8.219 1.00 52.43 C ATOM 725 C ILE A 48 9.025 5.731 -9.052 1.00 53.34 C ATOM 726 O ILE A 48 8.559 6.788 -8.624 1.00 25.31 O ATOM 727 CB ILE A 48 10.340 4.222 -7.562 1.00 11.22 C ATOM 728 CG1 ILE A 48 10.386 2.842 -6.903 1.00 45.10 C ATOM 729 CG2 ILE A 48 10.630 5.312 -6.541 1.00 43.52 C ATOM 730 CD1 ILE A 48 9.308 2.632 -5.864 1.00 32.14 C ATOM 0 H ILE A 48 9.323 2.673 -9.263 1.00 30.53 H new ATOM 0 HA ILE A 48 8.214 4.566 -7.438 1.00 52.43 H new ATOM 0 HB ILE A 48 11.108 4.261 -8.335 1.00 11.22 H new ATOM 0 HG12 ILE A 48 10.290 2.077 -7.674 1.00 45.10 H new ATOM 0 HG13 ILE A 48 11.361 2.704 -6.436 1.00 45.10 H new ATOM 0 HG21 ILE A 48 11.604 5.134 -6.085 1.00 43.52 H new ATOM 0 HG22 ILE A 48 10.634 6.283 -7.036 1.00 43.52 H new ATOM 0 HG23 ILE A 48 9.861 5.301 -5.769 1.00 43.52 H new ATOM 0 HD11 ILE A 48 9.402 1.633 -5.439 1.00 32.14 H new ATOM 0 HD12 ILE A 48 9.416 3.374 -5.073 1.00 32.14 H new ATOM 0 HD13 ILE A 48 8.328 2.738 -6.330 1.00 32.14 H new ATOM 742 N LYS A 49 9.597 5.626 -10.247 1.00 4.13 N ATOM 743 CA LYS A 49 9.714 6.770 -11.143 1.00 61.13 C ATOM 744 C LYS A 49 8.373 7.088 -11.797 1.00 1.02 C ATOM 745 O LYS A 49 7.916 8.231 -11.772 1.00 52.11 O ATOM 746 CB LYS A 49 10.766 6.495 -12.220 1.00 72.43 C ATOM 747 CG LYS A 49 12.173 6.894 -11.812 1.00 64.32 C ATOM 748 CD LYS A 49 12.688 6.034 -10.670 1.00 15.04 C ATOM 749 CE LYS A 49 14.105 6.420 -10.276 1.00 10.23 C ATOM 750 NZ LYS A 49 15.036 6.374 -11.437 1.00 55.44 N ATOM 0 H LYS A 49 9.987 4.759 -10.617 1.00 4.13 H new ATOM 0 HA LYS A 49 10.024 7.632 -10.552 1.00 61.13 H new ATOM 0 HB2 LYS A 49 10.755 5.433 -12.464 1.00 72.43 H new ATOM 0 HB3 LYS A 49 10.494 7.033 -13.128 1.00 72.43 H new ATOM 0 HG2 LYS A 49 12.841 6.801 -12.668 1.00 64.32 H new ATOM 0 HG3 LYS A 49 12.182 7.942 -11.512 1.00 64.32 H new ATOM 0 HD2 LYS A 49 12.029 6.139 -9.808 1.00 15.04 H new ATOM 0 HD3 LYS A 49 12.664 4.985 -10.964 1.00 15.04 H new ATOM 0 HE2 LYS A 49 14.103 7.424 -9.852 1.00 10.23 H new ATOM 0 HE3 LYS A 49 14.462 5.746 -9.498 1.00 10.23 H new ATOM 0 HZ1 LYS A 49 16.018 6.408 -11.096 1.00 55.44 H new ATOM 0 HZ2 LYS A 49 14.884 5.493 -11.969 1.00 55.44 H new ATOM 0 HZ3 LYS A 49 14.857 7.189 -12.058 1.00 55.44 H new ATOM 764 N ILE A 50 7.748 6.070 -12.379 1.00 14.51 N ATOM 765 CA ILE A 50 6.458 6.242 -13.036 1.00 40.32 C ATOM 766 C ILE A 50 5.347 6.470 -12.016 1.00 63.34 C ATOM 767 O ILE A 50 4.301 7.032 -12.337 1.00 42.04 O ATOM 768 CB ILE A 50 6.101 5.021 -13.904 1.00 20.35 C ATOM 769 CG1 ILE A 50 5.871 3.792 -13.022 1.00 32.42 C ATOM 770 CG2 ILE A 50 7.202 4.752 -14.919 1.00 13.31 C ATOM 771 CD1 ILE A 50 4.409 3.489 -12.778 1.00 20.54 C ATOM 0 H ILE A 50 8.114 5.118 -12.409 1.00 14.51 H new ATOM 0 HA ILE A 50 6.545 7.120 -13.677 1.00 40.32 H new ATOM 0 HB ILE A 50 5.179 5.235 -14.445 1.00 20.35 H new ATOM 0 HG12 ILE A 50 6.340 2.926 -13.489 1.00 32.42 H new ATOM 0 HG13 ILE A 50 6.367 3.945 -12.064 1.00 32.42 H new ATOM 0 HG21 ILE A 50 6.935 3.886 -15.525 1.00 13.31 H new ATOM 0 HG22 ILE A 50 7.323 5.622 -15.564 1.00 13.31 H new ATOM 0 HG23 ILE A 50 8.138 4.554 -14.397 1.00 13.31 H new ATOM 0 HD11 ILE A 50 4.321 2.606 -12.146 1.00 20.54 H new ATOM 0 HD12 ILE A 50 3.939 4.338 -12.282 1.00 20.54 H new ATOM 0 HD13 ILE A 50 3.912 3.304 -13.730 1.00 20.54 H new ATOM 783 N GLY A 51 5.583 6.030 -10.784 1.00 63.31 N ATOM 784 CA GLY A 51 4.595 6.196 -9.735 1.00 35.11 C ATOM 785 C GLY A 51 4.350 7.653 -9.394 1.00 23.40 C ATOM 786 O GLY A 51 3.381 7.982 -8.711 1.00 41.22 O ATOM 0 H GLY A 51 6.441 5.561 -10.494 1.00 63.31 H new ATOM 0 HA2 GLY A 51 3.657 5.737 -10.047 1.00 35.11 H new ATOM 0 HA3 GLY A 51 4.926 5.668 -8.841 1.00 35.11 H new ATOM 790 N GLU A 52 5.233 8.526 -9.869 1.00 55.13 N ATOM 791 CA GLU A 52 5.108 9.955 -9.608 1.00 3.31 C ATOM 792 C GLU A 52 4.385 10.657 -10.754 1.00 13.04 C ATOM 793 O GLU A 52 4.524 11.866 -10.943 1.00 34.51 O ATOM 794 CB GLU A 52 6.490 10.581 -9.403 1.00 74.23 C ATOM 795 CG GLU A 52 6.480 11.791 -8.485 1.00 54.41 C ATOM 796 CD GLU A 52 7.657 12.716 -8.726 1.00 51.21 C ATOM 797 OE1 GLU A 52 7.759 13.267 -9.843 1.00 22.35 O ATOM 798 OE2 GLU A 52 8.476 12.889 -7.799 1.00 54.24 O ATOM 0 H GLU A 52 6.041 8.269 -10.436 1.00 55.13 H new ATOM 0 HA GLU A 52 4.520 10.082 -8.699 1.00 3.31 H new ATOM 0 HB2 GLU A 52 7.163 9.829 -8.991 1.00 74.23 H new ATOM 0 HB3 GLU A 52 6.894 10.874 -10.372 1.00 74.23 H new ATOM 0 HG2 GLU A 52 5.552 12.344 -8.630 1.00 54.41 H new ATOM 0 HG3 GLU A 52 6.493 11.456 -7.448 1.00 54.41 H new ATOM 805 N VAL A 53 3.612 9.890 -11.516 1.00 61.30 N ATOM 806 CA VAL A 53 2.866 10.437 -12.643 1.00 32.50 C ATOM 807 C VAL A 53 1.432 9.919 -12.655 1.00 52.24 C ATOM 808 O VAL A 53 1.176 8.723 -12.515 1.00 53.20 O ATOM 809 CB VAL A 53 3.538 10.086 -13.984 1.00 12.51 C ATOM 810 CG1 VAL A 53 3.283 11.180 -15.011 1.00 30.45 C ATOM 811 CG2 VAL A 53 5.030 9.864 -13.789 1.00 60.35 C ATOM 0 H VAL A 53 3.486 8.888 -11.373 1.00 61.30 H new ATOM 0 HA VAL A 53 2.858 11.520 -12.522 1.00 32.50 H new ATOM 0 HB VAL A 53 3.102 9.160 -14.359 1.00 12.51 H new ATOM 0 HG11 VAL A 53 3.765 10.915 -15.952 1.00 30.45 H new ATOM 0 HG12 VAL A 53 2.210 11.287 -15.170 1.00 30.45 H new ATOM 0 HG13 VAL A 53 3.691 12.123 -14.647 1.00 30.45 H new ATOM 0 HG21 VAL A 53 5.489 9.617 -14.746 1.00 60.35 H new ATOM 0 HG22 VAL A 53 5.484 10.772 -13.392 1.00 60.35 H new ATOM 0 HG23 VAL A 53 5.187 9.044 -13.089 1.00 60.35 H new ATOM 821 N PRO A 54 0.472 10.840 -12.828 1.00 1.22 N ATOM 822 CA PRO A 54 -0.954 10.501 -12.864 1.00 25.21 C ATOM 823 C PRO A 54 -1.334 9.727 -14.122 1.00 4.13 C ATOM 824 O PRO A 54 -0.566 9.637 -15.080 1.00 23.01 O ATOM 825 CB PRO A 54 -1.644 11.867 -12.847 1.00 60.23 C ATOM 826 CG PRO A 54 -0.641 12.805 -13.424 1.00 1.31 C ATOM 827 CD PRO A 54 0.705 12.284 -13.001 1.00 72.14 C ATOM 0 HA PRO A 54 -1.240 9.854 -12.035 1.00 25.21 H new ATOM 0 HB2 PRO A 54 -2.560 11.855 -13.437 1.00 60.23 H new ATOM 0 HB3 PRO A 54 -1.921 12.158 -11.834 1.00 60.23 H new ATOM 0 HG2 PRO A 54 -0.721 12.842 -14.510 1.00 1.31 H new ATOM 0 HG3 PRO A 54 -0.799 13.819 -13.058 1.00 1.31 H new ATOM 0 HD2 PRO A 54 1.467 12.481 -13.755 1.00 72.14 H new ATOM 0 HD3 PRO A 54 1.044 12.750 -12.076 1.00 72.14 H new ATOM 835 N PRO A 55 -2.547 9.155 -14.122 1.00 23.13 N ATOM 836 CA PRO A 55 -3.056 8.380 -15.257 1.00 33.44 C ATOM 837 C PRO A 55 -3.362 9.256 -16.467 1.00 24.43 C ATOM 838 O PRO A 55 -3.390 8.777 -17.601 1.00 25.55 O ATOM 839 CB PRO A 55 -4.343 7.755 -14.710 1.00 64.14 C ATOM 840 CG PRO A 55 -4.777 8.673 -13.621 1.00 4.35 C ATOM 841 CD PRO A 55 -3.515 9.221 -13.014 1.00 4.42 C ATOM 0 HA PRO A 55 -2.328 7.650 -15.612 1.00 33.44 H new ATOM 0 HB2 PRO A 55 -5.104 7.674 -15.486 1.00 64.14 H new ATOM 0 HB3 PRO A 55 -4.164 6.748 -14.332 1.00 64.14 H new ATOM 0 HG2 PRO A 55 -5.402 9.475 -14.013 1.00 4.35 H new ATOM 0 HG3 PRO A 55 -5.370 8.142 -12.876 1.00 4.35 H new ATOM 0 HD2 PRO A 55 -3.650 10.243 -12.659 1.00 4.42 H new ATOM 0 HD3 PRO A 55 -3.189 8.627 -12.160 1.00 4.42 H new ATOM 849 N ASP A 56 -3.589 10.541 -16.219 1.00 35.54 N ATOM 850 CA ASP A 56 -3.891 11.484 -17.289 1.00 13.13 C ATOM 851 C ASP A 56 -2.747 11.548 -18.295 1.00 41.53 C ATOM 852 O ASP A 56 -2.969 11.747 -19.489 1.00 71.23 O ATOM 853 CB ASP A 56 -4.158 12.875 -16.711 1.00 42.01 C ATOM 854 CG ASP A 56 -5.011 13.729 -17.628 1.00 44.25 C ATOM 855 OD1 ASP A 56 -6.087 13.256 -18.048 1.00 14.24 O ATOM 856 OD2 ASP A 56 -4.601 14.870 -17.928 1.00 3.50 O ATOM 0 H ASP A 56 -3.570 10.953 -15.286 1.00 35.54 H new ATOM 0 HA ASP A 56 -4.786 11.136 -17.805 1.00 13.13 H new ATOM 0 HB2 ASP A 56 -4.655 12.775 -15.746 1.00 42.01 H new ATOM 0 HB3 ASP A 56 -3.208 13.378 -16.530 1.00 42.01 H new ATOM 861 N GLN A 57 -1.523 11.381 -17.804 1.00 73.41 N ATOM 862 CA GLN A 57 -0.344 11.422 -18.661 1.00 74.40 C ATOM 863 C GLN A 57 0.073 10.016 -19.081 1.00 55.00 C ATOM 864 O GLN A 57 1.191 9.803 -19.550 1.00 25.11 O ATOM 865 CB GLN A 57 0.813 12.115 -17.940 1.00 15.42 C ATOM 866 CG GLN A 57 0.418 13.426 -17.278 1.00 24.00 C ATOM 867 CD GLN A 57 0.060 14.503 -18.283 1.00 71.31 C ATOM 868 OE1 GLN A 57 -0.044 14.240 -19.482 1.00 22.44 O ATOM 869 NE2 GLN A 57 -0.132 15.724 -17.799 1.00 40.33 N ATOM 0 H GLN A 57 -1.322 11.216 -16.818 1.00 73.41 H new ATOM 0 HA GLN A 57 -0.597 11.989 -19.557 1.00 74.40 H new ATOM 0 HB2 GLN A 57 1.214 11.441 -17.183 1.00 15.42 H new ATOM 0 HB3 GLN A 57 1.614 12.305 -18.654 1.00 15.42 H new ATOM 0 HG2 GLN A 57 -0.432 13.254 -16.618 1.00 24.00 H new ATOM 0 HG3 GLN A 57 1.240 13.776 -16.654 1.00 24.00 H new ATOM 0 HE21 GLN A 57 -0.035 15.897 -16.798 1.00 40.33 H new ATOM 0 HE22 GLN A 57 -0.376 16.489 -18.428 1.00 40.33 H new ATOM 878 N LEU A 58 -0.833 9.060 -18.910 1.00 35.33 N ATOM 879 CA LEU A 58 -0.560 7.673 -19.271 1.00 1.02 C ATOM 880 C LEU A 58 -1.621 7.140 -20.229 1.00 3.33 C ATOM 881 O LEU A 58 -2.705 7.710 -20.349 1.00 13.32 O ATOM 882 CB LEU A 58 -0.505 6.800 -18.016 1.00 21.10 C ATOM 883 CG LEU A 58 0.854 6.708 -17.321 1.00 41.22 C ATOM 884 CD1 LEU A 58 1.849 5.955 -18.191 1.00 54.21 C ATOM 885 CD2 LEU A 58 1.378 8.098 -16.989 1.00 62.31 C ATOM 0 H LEU A 58 -1.763 9.220 -18.524 1.00 35.33 H new ATOM 0 HA LEU A 58 0.407 7.638 -19.773 1.00 1.02 H new ATOM 0 HB2 LEU A 58 -1.232 7.183 -17.299 1.00 21.10 H new ATOM 0 HB3 LEU A 58 -0.822 5.792 -18.285 1.00 21.10 H new ATOM 0 HG LEU A 58 0.728 6.157 -16.389 1.00 41.22 H new ATOM 0 HD11 LEU A 58 2.810 5.900 -17.680 1.00 54.21 H new ATOM 0 HD12 LEU A 58 1.479 4.947 -18.378 1.00 54.21 H new ATOM 0 HD13 LEU A 58 1.972 6.478 -19.139 1.00 54.21 H new ATOM 0 HD21 LEU A 58 2.346 8.014 -16.495 1.00 62.31 H new ATOM 0 HD22 LEU A 58 1.489 8.674 -17.908 1.00 62.31 H new ATOM 0 HD23 LEU A 58 0.675 8.603 -16.326 1.00 62.31 H new ATOM 897 N ASP A 59 -1.301 6.044 -20.906 1.00 60.54 N ATOM 898 CA ASP A 59 -2.228 5.431 -21.852 1.00 3.35 C ATOM 899 C ASP A 59 -3.106 4.394 -21.158 1.00 5.54 C ATOM 900 O ASP A 59 -2.947 4.130 -19.966 1.00 64.51 O ATOM 901 CB ASP A 59 -1.460 4.779 -23.002 1.00 45.42 C ATOM 902 CG ASP A 59 -2.240 4.795 -24.302 1.00 34.44 C ATOM 903 OD1 ASP A 59 -2.730 5.877 -24.687 1.00 74.12 O ATOM 904 OD2 ASP A 59 -2.361 3.724 -24.934 1.00 3.55 O ATOM 0 H ASP A 59 -0.407 5.561 -20.818 1.00 60.54 H new ATOM 0 HA ASP A 59 -2.870 6.215 -22.253 1.00 3.35 H new ATOM 0 HB2 ASP A 59 -0.513 5.299 -23.144 1.00 45.42 H new ATOM 0 HB3 ASP A 59 -1.221 3.749 -22.738 1.00 45.42 H new ATOM 909 N SER A 60 -4.033 3.812 -21.911 1.00 64.21 N ATOM 910 CA SER A 60 -4.939 2.807 -21.367 1.00 53.54 C ATOM 911 C SER A 60 -4.191 1.518 -21.045 1.00 60.43 C ATOM 912 O SER A 60 -4.456 0.871 -20.032 1.00 72.24 O ATOM 913 CB SER A 60 -6.070 2.521 -22.358 1.00 22.14 C ATOM 914 OG SER A 60 -5.578 2.439 -23.684 1.00 5.40 O ATOM 0 H SER A 60 -4.177 4.019 -22.899 1.00 64.21 H new ATOM 0 HA SER A 60 -5.365 3.199 -20.443 1.00 53.54 H new ATOM 0 HB2 SER A 60 -6.563 1.586 -22.092 1.00 22.14 H new ATOM 0 HB3 SER A 60 -6.822 3.308 -22.294 1.00 22.14 H new ATOM 0 HG SER A 60 -6.320 2.254 -24.297 1.00 5.40 H new ATOM 920 N GLN A 61 -3.255 1.151 -21.915 1.00 32.21 N ATOM 921 CA GLN A 61 -2.469 -0.062 -21.724 1.00 24.02 C ATOM 922 C GLN A 61 -1.297 0.192 -20.780 1.00 75.34 C ATOM 923 O GLN A 61 -0.791 -0.731 -20.142 1.00 65.13 O ATOM 924 CB GLN A 61 -1.953 -0.578 -23.068 1.00 73.14 C ATOM 925 CG GLN A 61 -3.035 -1.200 -23.937 1.00 12.14 C ATOM 926 CD GLN A 61 -2.469 -1.950 -25.127 1.00 15.45 C ATOM 927 OE1 GLN A 61 -2.253 -3.160 -25.066 1.00 72.35 O ATOM 928 NE2 GLN A 61 -2.227 -1.232 -26.217 1.00 65.44 N ATOM 0 H GLN A 61 -3.023 1.676 -22.758 1.00 32.21 H new ATOM 0 HA GLN A 61 -3.116 -0.817 -21.277 1.00 24.02 H new ATOM 0 HB2 GLN A 61 -1.492 0.247 -23.611 1.00 73.14 H new ATOM 0 HB3 GLN A 61 -1.173 -1.318 -22.889 1.00 73.14 H new ATOM 0 HG2 GLN A 61 -3.633 -1.883 -23.333 1.00 12.14 H new ATOM 0 HG3 GLN A 61 -3.706 -0.417 -24.291 1.00 12.14 H new ATOM 0 HE21 GLN A 61 -2.422 -0.231 -26.222 1.00 65.44 H new ATOM 0 HE22 GLN A 61 -1.846 -1.682 -27.050 1.00 65.44 H new ATOM 937 N ASP A 62 -0.872 1.448 -20.698 1.00 34.44 N ATOM 938 CA ASP A 62 0.239 1.823 -19.831 1.00 41.04 C ATOM 939 C ASP A 62 0.005 1.335 -18.405 1.00 64.12 C ATOM 940 O ASP A 62 0.950 1.006 -17.687 1.00 60.43 O ATOM 941 CB ASP A 62 0.430 3.341 -19.840 1.00 33.45 C ATOM 942 CG ASP A 62 1.262 3.813 -21.015 1.00 42.21 C ATOM 943 OD1 ASP A 62 1.959 2.975 -21.623 1.00 62.43 O ATOM 944 OD2 ASP A 62 1.217 5.022 -21.326 1.00 44.04 O ATOM 0 H ASP A 62 -1.280 2.223 -21.221 1.00 34.44 H new ATOM 0 HA ASP A 62 1.143 1.348 -20.213 1.00 41.04 H new ATOM 0 HB2 ASP A 62 -0.545 3.827 -19.871 1.00 33.45 H new ATOM 0 HB3 ASP A 62 0.910 3.649 -18.911 1.00 33.45 H new ATOM 949 N LYS A 63 -1.259 1.292 -18.000 1.00 32.52 N ATOM 950 CA LYS A 63 -1.619 0.844 -16.660 1.00 23.34 C ATOM 951 C LYS A 63 -1.453 -0.667 -16.528 1.00 4.22 C ATOM 952 O LYS A 63 -1.112 -1.173 -15.458 1.00 24.20 O ATOM 953 CB LYS A 63 -3.062 1.239 -16.337 1.00 64.14 C ATOM 954 CG LYS A 63 -4.099 0.396 -17.060 1.00 3.34 C ATOM 955 CD LYS A 63 -5.381 1.176 -17.301 1.00 25.30 C ATOM 956 CE LYS A 63 -6.313 1.099 -16.102 1.00 55.11 C ATOM 957 NZ LYS A 63 -7.685 1.573 -16.436 1.00 12.34 N ATOM 0 H LYS A 63 -2.053 1.562 -18.581 1.00 32.52 H new ATOM 0 HA LYS A 63 -0.949 1.329 -15.950 1.00 23.34 H new ATOM 0 HB2 LYS A 63 -3.222 1.153 -15.262 1.00 64.14 H new ATOM 0 HB3 LYS A 63 -3.211 2.287 -16.599 1.00 64.14 H new ATOM 0 HG2 LYS A 63 -3.693 0.057 -18.013 1.00 3.34 H new ATOM 0 HG3 LYS A 63 -4.319 -0.495 -16.472 1.00 3.34 H new ATOM 0 HD2 LYS A 63 -5.140 2.218 -17.510 1.00 25.30 H new ATOM 0 HD3 LYS A 63 -5.887 0.783 -18.183 1.00 25.30 H new ATOM 0 HE2 LYS A 63 -6.361 0.070 -15.744 1.00 55.11 H new ATOM 0 HE3 LYS A 63 -5.909 1.701 -15.288 1.00 55.11 H new ATOM 0 HZ1 LYS A 63 -8.291 1.505 -15.593 1.00 12.34 H new ATOM 0 HZ2 LYS A 63 -7.643 2.563 -16.753 1.00 12.34 H new ATOM 0 HZ3 LYS A 63 -8.081 0.983 -17.195 1.00 12.34 H new ATOM 971 N LEU A 64 -1.694 -1.381 -17.621 1.00 70.53 N ATOM 972 CA LEU A 64 -1.570 -2.835 -17.628 1.00 44.03 C ATOM 973 C LEU A 64 -0.118 -3.258 -17.428 1.00 20.24 C ATOM 974 O LEU A 64 0.159 -4.383 -17.010 1.00 12.40 O ATOM 975 CB LEU A 64 -2.102 -3.406 -18.944 1.00 1.31 C ATOM 976 CG LEU A 64 -3.569 -3.835 -18.944 1.00 74.32 C ATOM 977 CD1 LEU A 64 -3.771 -5.048 -18.048 1.00 41.43 C ATOM 978 CD2 LEU A 64 -4.462 -2.686 -18.498 1.00 64.12 C ATOM 0 H LEU A 64 -1.976 -0.978 -18.514 1.00 70.53 H new ATOM 0 HA LEU A 64 -2.162 -3.229 -16.802 1.00 44.03 H new ATOM 0 HB2 LEU A 64 -1.963 -2.658 -19.724 1.00 1.31 H new ATOM 0 HB3 LEU A 64 -1.492 -4.267 -19.216 1.00 1.31 H new ATOM 0 HG LEU A 64 -3.846 -4.110 -19.962 1.00 74.32 H new ATOM 0 HD11 LEU A 64 -4.821 -5.339 -18.061 1.00 41.43 H new ATOM 0 HD12 LEU A 64 -3.161 -5.875 -18.412 1.00 41.43 H new ATOM 0 HD13 LEU A 64 -3.475 -4.801 -17.028 1.00 41.43 H new ATOM 0 HD21 LEU A 64 -5.503 -3.010 -18.504 1.00 64.12 H new ATOM 0 HD22 LEU A 64 -4.184 -2.379 -17.490 1.00 64.12 H new ATOM 0 HD23 LEU A 64 -4.340 -1.845 -19.180 1.00 64.12 H new ATOM 990 N TRP A 65 0.804 -2.350 -17.726 1.00 11.14 N ATOM 991 CA TRP A 65 2.228 -2.629 -17.576 1.00 13.34 C ATOM 992 C TRP A 65 2.540 -3.124 -16.168 1.00 2.42 C ATOM 993 O TRP A 65 3.141 -4.183 -15.992 1.00 4.23 O ATOM 994 CB TRP A 65 3.049 -1.375 -17.883 1.00 31.41 C ATOM 995 CG TRP A 65 4.487 -1.494 -17.479 1.00 3.22 C ATOM 996 CD1 TRP A 65 5.509 -2.008 -18.225 1.00 73.23 C ATOM 997 CD2 TRP A 65 5.063 -1.091 -16.231 1.00 72.21 C ATOM 998 NE1 TRP A 65 6.685 -1.950 -17.517 1.00 15.42 N ATOM 999 CE2 TRP A 65 6.438 -1.390 -16.291 1.00 30.41 C ATOM 1000 CE3 TRP A 65 4.551 -0.505 -15.070 1.00 71.33 C ATOM 1001 CZ2 TRP A 65 7.304 -1.124 -15.234 1.00 20.13 C ATOM 1002 CZ3 TRP A 65 5.412 -0.242 -14.022 1.00 13.21 C ATOM 1003 CH2 TRP A 65 6.776 -0.550 -14.109 1.00 72.23 C ATOM 0 H TRP A 65 0.592 -1.415 -18.073 1.00 11.14 H new ATOM 0 HA TRP A 65 2.496 -3.413 -18.284 1.00 13.34 H new ATOM 0 HB2 TRP A 65 2.995 -1.167 -18.952 1.00 31.41 H new ATOM 0 HB3 TRP A 65 2.604 -0.523 -17.369 1.00 31.41 H new ATOM 0 HD1 TRP A 65 5.408 -2.402 -19.225 1.00 73.23 H new ATOM 0 HE1 TRP A 65 7.594 -2.271 -17.850 1.00 15.42 H new ATOM 0 HE3 TRP A 65 3.501 -0.262 -14.993 1.00 71.33 H new ATOM 0 HZ2 TRP A 65 8.355 -1.362 -15.299 1.00 20.13 H new ATOM 0 HZ3 TRP A 65 5.027 0.209 -13.120 1.00 13.21 H new ATOM 0 HH2 TRP A 65 7.423 -0.330 -13.273 1.00 72.23 H new ATOM 1014 N ALA A 66 2.128 -2.351 -15.168 1.00 50.33 N ATOM 1015 CA ALA A 66 2.362 -2.713 -13.776 1.00 4.30 C ATOM 1016 C ALA A 66 1.470 -3.874 -13.353 1.00 33.40 C ATOM 1017 O ALA A 66 1.829 -4.658 -12.474 1.00 0.43 O ATOM 1018 CB ALA A 66 2.131 -1.511 -12.872 1.00 44.31 C ATOM 0 H ALA A 66 1.630 -1.470 -15.297 1.00 50.33 H new ATOM 0 HA ALA A 66 3.400 -3.033 -13.679 1.00 4.30 H new ATOM 0 HB1 ALA A 66 2.309 -1.796 -11.835 1.00 44.31 H new ATOM 0 HB2 ALA A 66 2.815 -0.709 -13.151 1.00 44.31 H new ATOM 0 HB3 ALA A 66 1.103 -1.166 -12.982 1.00 44.31 H new ATOM 1024 N ASP A 67 0.305 -3.979 -13.984 1.00 22.55 N ATOM 1025 CA ASP A 67 -0.639 -5.046 -13.673 1.00 31.35 C ATOM 1026 C ASP A 67 -0.058 -6.409 -14.035 1.00 22.42 C ATOM 1027 O ASP A 67 -0.022 -7.319 -13.207 1.00 4.34 O ATOM 1028 CB ASP A 67 -1.956 -4.825 -14.419 1.00 4.20 C ATOM 1029 CG ASP A 67 -2.912 -5.991 -14.264 1.00 50.15 C ATOM 1030 OD1 ASP A 67 -3.448 -6.174 -13.152 1.00 33.41 O ATOM 1031 OD2 ASP A 67 -3.124 -6.721 -15.256 1.00 3.51 O ATOM 0 H ASP A 67 -0.008 -3.338 -14.714 1.00 22.55 H new ATOM 0 HA ASP A 67 -0.830 -5.026 -12.600 1.00 31.35 H new ATOM 0 HB2 ASP A 67 -2.432 -3.917 -14.049 1.00 4.20 H new ATOM 0 HB3 ASP A 67 -1.749 -4.667 -15.477 1.00 4.20 H new ATOM 1036 N GLU A 68 0.395 -6.543 -15.278 1.00 12.24 N ATOM 1037 CA GLU A 68 0.972 -7.796 -15.749 1.00 45.11 C ATOM 1038 C GLU A 68 2.155 -8.211 -14.879 1.00 22.22 C ATOM 1039 O GLU A 68 2.440 -9.399 -14.724 1.00 14.01 O ATOM 1040 CB GLU A 68 1.420 -7.661 -17.206 1.00 51.31 C ATOM 1041 CG GLU A 68 2.828 -7.111 -17.362 1.00 32.01 C ATOM 1042 CD GLU A 68 3.883 -8.199 -17.352 1.00 64.52 C ATOM 1043 OE1 GLU A 68 4.074 -8.852 -18.400 1.00 13.41 O ATOM 1044 OE2 GLU A 68 4.520 -8.399 -16.296 1.00 54.40 O ATOM 0 H GLU A 68 0.373 -5.800 -15.976 1.00 12.24 H new ATOM 0 HA GLU A 68 0.205 -8.567 -15.682 1.00 45.11 H new ATOM 0 HB2 GLU A 68 1.366 -8.638 -17.686 1.00 51.31 H new ATOM 0 HB3 GLU A 68 0.724 -7.008 -17.732 1.00 51.31 H new ATOM 0 HG2 GLU A 68 2.895 -6.554 -18.296 1.00 32.01 H new ATOM 0 HG3 GLU A 68 3.030 -6.406 -16.555 1.00 32.01 H new ATOM 1051 N VAL A 69 2.842 -7.224 -14.313 1.00 52.51 N ATOM 1052 CA VAL A 69 3.993 -7.485 -13.458 1.00 44.10 C ATOM 1053 C VAL A 69 3.594 -8.298 -12.232 1.00 22.40 C ATOM 1054 O VAL A 69 4.367 -9.123 -11.743 1.00 53.11 O ATOM 1055 CB VAL A 69 4.659 -6.175 -12.997 1.00 11.32 C ATOM 1056 CG1 VAL A 69 5.829 -6.467 -12.069 1.00 75.34 C ATOM 1057 CG2 VAL A 69 5.111 -5.356 -14.197 1.00 21.13 C ATOM 0 H VAL A 69 2.621 -6.235 -14.432 1.00 52.51 H new ATOM 0 HA VAL A 69 4.706 -8.056 -14.053 1.00 44.10 H new ATOM 0 HB VAL A 69 3.925 -5.591 -12.443 1.00 11.32 H new ATOM 0 HG11 VAL A 69 6.286 -5.529 -11.754 1.00 75.34 H new ATOM 0 HG12 VAL A 69 5.472 -7.009 -11.193 1.00 75.34 H new ATOM 0 HG13 VAL A 69 6.568 -7.073 -12.594 1.00 75.34 H new ATOM 0 HG21 VAL A 69 5.579 -4.434 -13.853 1.00 21.13 H new ATOM 0 HG22 VAL A 69 5.829 -5.932 -14.781 1.00 21.13 H new ATOM 0 HG23 VAL A 69 4.249 -5.115 -14.819 1.00 21.13 H new ATOM 1067 N ARG A 70 2.383 -8.061 -11.740 1.00 53.00 N ATOM 1068 CA ARG A 70 1.881 -8.771 -10.570 1.00 75.30 C ATOM 1069 C ARG A 70 1.678 -10.252 -10.878 1.00 54.25 C ATOM 1070 O ARG A 70 2.218 -11.118 -10.191 1.00 52.04 O ATOM 1071 CB ARG A 70 0.564 -8.153 -10.098 1.00 15.42 C ATOM 1072 CG ARG A 70 0.743 -6.859 -9.320 1.00 54.25 C ATOM 1073 CD ARG A 70 0.865 -7.118 -7.827 1.00 62.52 C ATOM 1074 NE ARG A 70 -0.435 -7.342 -7.202 1.00 35.21 N ATOM 1075 CZ ARG A 70 -1.289 -6.367 -6.911 1.00 4.51 C ATOM 1076 NH1 ARG A 70 -0.980 -5.107 -7.188 1.00 20.13 N ATOM 1077 NH2 ARG A 70 -2.454 -6.650 -6.342 1.00 45.22 N ATOM 0 H ARG A 70 1.731 -7.383 -12.133 1.00 53.00 H new ATOM 0 HA ARG A 70 2.622 -8.681 -9.776 1.00 75.30 H new ATOM 0 HB2 ARG A 70 -0.069 -7.962 -10.965 1.00 15.42 H new ATOM 0 HB3 ARG A 70 0.038 -8.874 -9.472 1.00 15.42 H new ATOM 0 HG2 ARG A 70 1.634 -6.341 -9.674 1.00 54.25 H new ATOM 0 HG3 ARG A 70 -0.105 -6.200 -9.508 1.00 54.25 H new ATOM 0 HD2 ARG A 70 1.502 -7.987 -7.661 1.00 62.52 H new ATOM 0 HD3 ARG A 70 1.355 -6.269 -7.351 1.00 62.52 H new ATOM 0 HE ARG A 70 -0.702 -8.300 -6.976 1.00 35.21 H new ATOM 0 HH11 ARG A 70 -0.085 -4.886 -7.625 1.00 20.13 H new ATOM 0 HH12 ARG A 70 -1.637 -4.360 -6.964 1.00 20.13 H new ATOM 0 HH21 ARG A 70 -2.695 -7.618 -6.127 1.00 45.22 H new ATOM 0 HH22 ARG A 70 -3.108 -5.900 -6.119 1.00 45.22 H new ATOM 1091 N GLU A 71 0.895 -10.533 -11.916 1.00 22.23 N ATOM 1092 CA GLU A 71 0.620 -11.909 -12.313 1.00 44.04 C ATOM 1093 C GLU A 71 1.911 -12.640 -12.670 1.00 63.25 C ATOM 1094 O GLU A 71 2.036 -13.846 -12.453 1.00 32.24 O ATOM 1095 CB GLU A 71 -0.341 -11.937 -13.504 1.00 5.02 C ATOM 1096 CG GLU A 71 0.199 -11.235 -14.738 1.00 42.53 C ATOM 1097 CD GLU A 71 -0.697 -11.411 -15.949 1.00 32.04 C ATOM 1098 OE1 GLU A 71 -1.746 -10.735 -16.013 1.00 64.42 O ATOM 1099 OE2 GLU A 71 -0.351 -12.224 -16.831 1.00 21.35 O ATOM 0 H GLU A 71 0.441 -9.827 -12.496 1.00 22.23 H new ATOM 0 HA GLU A 71 0.156 -12.418 -11.469 1.00 44.04 H new ATOM 0 HB2 GLU A 71 -0.565 -12.974 -13.755 1.00 5.02 H new ATOM 0 HB3 GLU A 71 -1.281 -11.469 -13.212 1.00 5.02 H new ATOM 0 HG2 GLU A 71 0.312 -10.172 -14.526 1.00 42.53 H new ATOM 0 HG3 GLU A 71 1.192 -11.622 -14.966 1.00 42.53 H new ATOM 1106 N LEU A 72 2.869 -11.902 -13.221 1.00 22.53 N ATOM 1107 CA LEU A 72 4.152 -12.480 -13.609 1.00 55.52 C ATOM 1108 C LEU A 72 4.906 -13.001 -12.390 1.00 74.22 C ATOM 1109 O LEU A 72 5.702 -13.934 -12.493 1.00 32.31 O ATOM 1110 CB LEU A 72 5.000 -11.439 -14.341 1.00 45.15 C ATOM 1111 CG LEU A 72 5.895 -11.970 -15.462 1.00 74.43 C ATOM 1112 CD1 LEU A 72 5.058 -12.650 -16.536 1.00 3.35 C ATOM 1113 CD2 LEU A 72 6.724 -10.844 -16.063 1.00 35.34 C ATOM 0 H LEU A 72 2.782 -10.903 -13.409 1.00 22.53 H new ATOM 0 HA LEU A 72 3.958 -13.318 -14.278 1.00 55.52 H new ATOM 0 HB2 LEU A 72 4.333 -10.687 -14.762 1.00 45.15 H new ATOM 0 HB3 LEU A 72 5.630 -10.933 -13.609 1.00 45.15 H new ATOM 0 HG LEU A 72 6.576 -12.708 -15.038 1.00 74.43 H new ATOM 0 HD11 LEU A 72 5.711 -13.022 -17.325 1.00 3.35 H new ATOM 0 HD12 LEU A 72 4.510 -13.483 -16.097 1.00 3.35 H new ATOM 0 HD13 LEU A 72 4.353 -11.933 -16.956 1.00 3.35 H new ATOM 0 HD21 LEU A 72 7.354 -11.241 -16.859 1.00 35.34 H new ATOM 0 HD22 LEU A 72 6.061 -10.082 -16.472 1.00 35.34 H new ATOM 0 HD23 LEU A 72 7.352 -10.402 -15.290 1.00 35.34 H new ATOM 1125 N SER A 73 4.647 -12.394 -11.237 1.00 5.35 N ATOM 1126 CA SER A 73 5.303 -12.796 -9.998 1.00 10.25 C ATOM 1127 C SER A 73 5.131 -14.292 -9.753 1.00 1.23 C ATOM 1128 O SER A 73 6.038 -14.959 -9.255 1.00 63.11 O ATOM 1129 CB SER A 73 4.736 -12.006 -8.816 1.00 43.33 C ATOM 1130 OG SER A 73 5.346 -12.400 -7.599 1.00 71.34 O ATOM 0 H SER A 73 3.988 -11.622 -11.134 1.00 5.35 H new ATOM 0 HA SER A 73 6.367 -12.581 -10.093 1.00 10.25 H new ATOM 0 HB2 SER A 73 4.895 -10.940 -8.978 1.00 43.33 H new ATOM 0 HB3 SER A 73 3.659 -12.162 -8.754 1.00 43.33 H new ATOM 0 HG SER A 73 4.711 -12.283 -6.862 1.00 71.34 H new ATOM 1136 N TYR A 74 3.961 -14.812 -10.106 1.00 11.23 N ATOM 1137 CA TYR A 74 3.667 -16.228 -9.923 1.00 25.24 C ATOM 1138 C TYR A 74 4.725 -17.095 -10.600 1.00 35.55 C ATOM 1139 O TYR A 74 5.021 -18.201 -10.146 1.00 73.13 O ATOM 1140 CB TYR A 74 2.284 -16.561 -10.483 1.00 53.43 C ATOM 1141 CG TYR A 74 1.193 -16.571 -9.437 1.00 14.44 C ATOM 1142 CD1 TYR A 74 1.112 -15.567 -8.479 1.00 44.31 C ATOM 1143 CD2 TYR A 74 0.243 -17.584 -9.404 1.00 72.01 C ATOM 1144 CE1 TYR A 74 0.118 -15.572 -7.520 1.00 72.03 C ATOM 1145 CE2 TYR A 74 -0.756 -17.597 -8.450 1.00 50.41 C ATOM 1146 CZ TYR A 74 -0.814 -16.589 -7.510 1.00 53.32 C ATOM 1147 OH TYR A 74 -1.807 -16.598 -6.557 1.00 61.43 O ATOM 0 H TYR A 74 3.200 -14.274 -10.521 1.00 11.23 H new ATOM 0 HA TYR A 74 3.678 -16.440 -8.854 1.00 25.24 H new ATOM 0 HB2 TYR A 74 2.029 -15.834 -11.254 1.00 53.43 H new ATOM 0 HB3 TYR A 74 2.322 -17.538 -10.965 1.00 53.43 H new ATOM 0 HD1 TYR A 74 1.839 -14.769 -8.485 1.00 44.31 H new ATOM 0 HD2 TYR A 74 0.286 -18.376 -10.137 1.00 72.01 H new ATOM 0 HE1 TYR A 74 0.071 -14.784 -6.782 1.00 72.03 H new ATOM 0 HE2 TYR A 74 -1.487 -18.392 -8.440 1.00 50.41 H new ATOM 0 HH TYR A 74 -2.381 -17.381 -6.690 1.00 61.43 H new ATOM 1157 N VAL A 75 5.291 -16.585 -11.688 1.00 50.23 N ATOM 1158 CA VAL A 75 6.317 -17.310 -12.428 1.00 73.22 C ATOM 1159 C VAL A 75 7.607 -17.413 -11.622 1.00 53.13 C ATOM 1160 O VAL A 75 8.394 -18.341 -11.808 1.00 44.14 O ATOM 1161 CB VAL A 75 6.620 -16.633 -13.778 1.00 10.32 C ATOM 1162 CG1 VAL A 75 7.543 -17.503 -14.617 1.00 21.11 C ATOM 1163 CG2 VAL A 75 5.329 -16.335 -14.526 1.00 3.42 C ATOM 0 H VAL A 75 5.057 -15.672 -12.077 1.00 50.23 H new ATOM 0 HA VAL A 75 5.926 -18.311 -12.612 1.00 73.22 H new ATOM 0 HB VAL A 75 7.128 -15.688 -13.585 1.00 10.32 H new ATOM 0 HG11 VAL A 75 7.746 -17.008 -15.567 1.00 21.11 H new ATOM 0 HG12 VAL A 75 8.480 -17.660 -14.083 1.00 21.11 H new ATOM 0 HG13 VAL A 75 7.066 -18.465 -14.804 1.00 21.11 H new ATOM 0 HG21 VAL A 75 5.562 -15.857 -15.477 1.00 3.42 H new ATOM 0 HG22 VAL A 75 4.792 -17.265 -14.709 1.00 3.42 H new ATOM 0 HG23 VAL A 75 4.707 -15.669 -13.928 1.00 3.42 H new ATOM 1173 N ILE A 76 7.816 -16.454 -10.726 1.00 71.25 N ATOM 1174 CA ILE A 76 9.010 -16.438 -9.891 1.00 10.24 C ATOM 1175 C ILE A 76 9.046 -17.645 -8.959 1.00 52.15 C ATOM 1176 O ILE A 76 10.116 -18.152 -8.627 1.00 63.50 O ATOM 1177 CB ILE A 76 9.090 -15.151 -9.048 1.00 72.11 C ATOM 1178 CG1 ILE A 76 9.074 -13.919 -9.956 1.00 23.43 C ATOM 1179 CG2 ILE A 76 10.341 -15.162 -8.182 1.00 15.10 C ATOM 1180 CD1 ILE A 76 8.990 -12.612 -9.199 1.00 71.31 C ATOM 0 H ILE A 76 7.174 -15.679 -10.560 1.00 71.25 H new ATOM 0 HA ILE A 76 9.866 -16.476 -10.564 1.00 10.24 H new ATOM 0 HB ILE A 76 8.219 -15.108 -8.393 1.00 72.11 H new ATOM 0 HG12 ILE A 76 9.975 -13.917 -10.569 1.00 23.43 H new ATOM 0 HG13 ILE A 76 8.226 -13.990 -10.637 1.00 23.43 H new ATOM 0 HG21 ILE A 76 10.383 -14.246 -7.592 1.00 15.10 H new ATOM 0 HG22 ILE A 76 10.313 -16.023 -7.514 1.00 15.10 H new ATOM 0 HG23 ILE A 76 11.224 -15.225 -8.819 1.00 15.10 H new ATOM 0 HD11 ILE A 76 8.983 -11.782 -9.906 1.00 71.31 H new ATOM 0 HD12 ILE A 76 8.075 -12.592 -8.607 1.00 71.31 H new ATOM 0 HD13 ILE A 76 9.852 -12.518 -8.538 1.00 71.31 H new ATOM 1192 N GLU A 77 7.868 -18.100 -8.544 1.00 31.02 N ATOM 1193 CA GLU A 77 7.765 -19.249 -7.652 1.00 3.34 C ATOM 1194 C GLU A 77 8.553 -20.435 -8.200 1.00 31.45 C ATOM 1195 O GLU A 77 9.135 -21.211 -7.441 1.00 71.22 O ATOM 1196 CB GLU A 77 6.299 -19.642 -7.457 1.00 4.24 C ATOM 1197 CG GLU A 77 5.602 -18.863 -6.354 1.00 21.43 C ATOM 1198 CD GLU A 77 4.925 -17.607 -6.865 1.00 42.40 C ATOM 1199 OE1 GLU A 77 5.634 -16.721 -7.387 1.00 12.45 O ATOM 1200 OE2 GLU A 77 3.686 -17.510 -6.744 1.00 11.44 O ATOM 0 H GLU A 77 6.972 -17.691 -8.811 1.00 31.02 H new ATOM 0 HA GLU A 77 8.189 -18.968 -6.688 1.00 3.34 H new ATOM 0 HB2 GLU A 77 5.763 -19.488 -8.393 1.00 4.24 H new ATOM 0 HB3 GLU A 77 6.244 -20.706 -7.229 1.00 4.24 H new ATOM 0 HG2 GLU A 77 4.860 -19.502 -5.876 1.00 21.43 H new ATOM 0 HG3 GLU A 77 6.330 -18.593 -5.589 1.00 21.43 H new ATOM 1207 N ASP A 78 8.566 -20.570 -9.521 1.00 52.40 N ATOM 1208 CA ASP A 78 9.282 -21.661 -10.172 1.00 13.32 C ATOM 1209 C ASP A 78 10.735 -21.709 -9.711 1.00 0.45 C ATOM 1210 O ASP A 78 11.354 -22.772 -9.685 1.00 53.01 O ATOM 1211 CB ASP A 78 9.221 -21.504 -11.692 1.00 41.20 C ATOM 1212 CG ASP A 78 7.859 -21.857 -12.257 1.00 23.43 C ATOM 1213 OD1 ASP A 78 7.538 -23.063 -12.322 1.00 44.21 O ATOM 1214 OD2 ASP A 78 7.114 -20.929 -12.632 1.00 40.24 O ATOM 0 H ASP A 78 8.089 -19.937 -10.163 1.00 52.40 H new ATOM 0 HA ASP A 78 8.800 -22.597 -9.892 1.00 13.32 H new ATOM 0 HB2 ASP A 78 9.466 -20.476 -11.958 1.00 41.20 H new ATOM 0 HB3 ASP A 78 9.977 -22.141 -12.151 1.00 41.20 H new ATOM 1219 N ALA A 79 11.274 -20.549 -9.348 1.00 32.13 N ATOM 1220 CA ALA A 79 12.654 -20.459 -8.887 1.00 14.04 C ATOM 1221 C ALA A 79 12.883 -21.343 -7.665 1.00 42.04 C ATOM 1222 O ALA A 79 13.817 -22.145 -7.634 1.00 12.24 O ATOM 1223 CB ALA A 79 13.011 -19.014 -8.569 1.00 72.45 C ATOM 0 H ALA A 79 10.776 -19.659 -9.364 1.00 32.13 H new ATOM 0 HA ALA A 79 13.303 -20.815 -9.688 1.00 14.04 H new ATOM 0 HB1 ALA A 79 14.044 -18.962 -8.226 1.00 72.45 H new ATOM 0 HB2 ALA A 79 12.895 -18.405 -9.465 1.00 72.45 H new ATOM 0 HB3 ALA A 79 12.350 -18.639 -7.788 1.00 72.45 H new ATOM 1229 N VAL A 80 12.026 -21.191 -6.661 1.00 0.11 N ATOM 1230 CA VAL A 80 12.135 -21.976 -5.437 1.00 44.11 C ATOM 1231 C VAL A 80 11.504 -23.353 -5.609 1.00 42.12 C ATOM 1232 O VAL A 80 11.881 -24.309 -4.932 1.00 25.12 O ATOM 1233 CB VAL A 80 11.464 -21.260 -4.250 1.00 25.45 C ATOM 1234 CG1 VAL A 80 12.166 -19.943 -3.954 1.00 74.31 C ATOM 1235 CG2 VAL A 80 9.986 -21.036 -4.530 1.00 2.14 C ATOM 0 H VAL A 80 11.248 -20.531 -6.671 1.00 0.11 H new ATOM 0 HA VAL A 80 13.199 -22.091 -5.228 1.00 44.11 H new ATOM 0 HB VAL A 80 11.551 -21.895 -3.369 1.00 25.45 H new ATOM 0 HG11 VAL A 80 11.678 -19.452 -3.112 1.00 74.31 H new ATOM 0 HG12 VAL A 80 13.210 -20.135 -3.706 1.00 74.31 H new ATOM 0 HG13 VAL A 80 12.114 -19.298 -4.831 1.00 74.31 H new ATOM 0 HG21 VAL A 80 9.528 -20.529 -3.681 1.00 2.14 H new ATOM 0 HG22 VAL A 80 9.874 -20.421 -5.423 1.00 2.14 H new ATOM 0 HG23 VAL A 80 9.496 -21.997 -4.687 1.00 2.14 H new ATOM 1245 N ASP A 81 10.542 -23.447 -6.520 1.00 13.50 N ATOM 1246 CA ASP A 81 9.858 -24.708 -6.783 1.00 41.41 C ATOM 1247 C ASP A 81 10.849 -25.782 -7.219 1.00 22.44 C ATOM 1248 O ASP A 81 10.680 -26.961 -6.907 1.00 72.54 O ATOM 1249 CB ASP A 81 8.788 -24.517 -7.859 1.00 33.21 C ATOM 1250 CG ASP A 81 7.663 -25.528 -7.742 1.00 45.41 C ATOM 1251 OD1 ASP A 81 7.332 -25.917 -6.603 1.00 34.52 O ATOM 1252 OD2 ASP A 81 7.115 -25.928 -8.790 1.00 11.21 O ATOM 0 H ASP A 81 10.218 -22.665 -7.089 1.00 13.50 H new ATOM 0 HA ASP A 81 9.379 -25.034 -5.859 1.00 41.41 H new ATOM 0 HB2 ASP A 81 8.377 -23.510 -7.784 1.00 33.21 H new ATOM 0 HB3 ASP A 81 9.248 -24.601 -8.844 1.00 33.21 H new ATOM 1257 N LYS A 82 11.884 -25.368 -7.942 1.00 11.33 N ATOM 1258 CA LYS A 82 12.903 -26.294 -8.421 1.00 3.42 C ATOM 1259 C LYS A 82 13.511 -27.080 -7.264 1.00 32.33 C ATOM 1260 O LYS A 82 13.933 -28.225 -7.432 1.00 10.50 O ATOM 1261 CB LYS A 82 14.002 -25.533 -9.167 1.00 20.31 C ATOM 1262 CG LYS A 82 13.660 -25.238 -10.617 1.00 61.11 C ATOM 1263 CD LYS A 82 14.379 -23.997 -11.118 1.00 43.01 C ATOM 1264 CE LYS A 82 14.403 -23.942 -12.638 1.00 24.10 C ATOM 1265 NZ LYS A 82 15.360 -24.927 -13.214 1.00 22.45 N ATOM 0 H LYS A 82 12.039 -24.396 -8.209 1.00 11.33 H new ATOM 0 HA LYS A 82 12.427 -26.997 -9.105 1.00 3.42 H new ATOM 0 HB2 LYS A 82 14.197 -24.593 -8.650 1.00 20.31 H new ATOM 0 HB3 LYS A 82 14.924 -26.114 -9.131 1.00 20.31 H new ATOM 0 HG2 LYS A 82 13.932 -26.092 -11.237 1.00 61.11 H new ATOM 0 HG3 LYS A 82 12.583 -25.101 -10.717 1.00 61.11 H new ATOM 0 HD2 LYS A 82 13.885 -23.107 -10.728 1.00 43.01 H new ATOM 0 HD3 LYS A 82 15.400 -23.988 -10.736 1.00 43.01 H new ATOM 0 HE2 LYS A 82 13.403 -24.139 -13.024 1.00 24.10 H new ATOM 0 HE3 LYS A 82 14.677 -22.938 -12.961 1.00 24.10 H new ATOM 0 HZ1 LYS A 82 16.052 -24.430 -13.810 1.00 22.45 H new ATOM 0 HZ2 LYS A 82 15.856 -25.420 -12.444 1.00 22.45 H new ATOM 0 HZ3 LYS A 82 14.841 -25.620 -13.790 1.00 22.45 H new ATOM 1279 N PHE A 83 13.551 -26.460 -6.089 1.00 35.30 N ATOM 1280 CA PHE A 83 14.106 -27.103 -4.904 1.00 31.13 C ATOM 1281 C PHE A 83 13.194 -28.225 -4.416 1.00 21.21 C ATOM 1282 O PHE A 83 13.660 -29.226 -3.870 1.00 31.22 O ATOM 1283 CB PHE A 83 14.310 -26.075 -3.789 1.00 22.54 C ATOM 1284 CG PHE A 83 15.117 -26.596 -2.634 1.00 64.30 C ATOM 1285 CD1 PHE A 83 14.549 -27.452 -1.704 1.00 52.31 C ATOM 1286 CD2 PHE A 83 16.445 -26.231 -2.479 1.00 11.11 C ATOM 1287 CE1 PHE A 83 15.289 -27.932 -0.640 1.00 43.43 C ATOM 1288 CE2 PHE A 83 17.190 -26.708 -1.417 1.00 65.13 C ATOM 1289 CZ PHE A 83 16.612 -27.560 -0.497 1.00 70.44 C ATOM 0 H PHE A 83 13.206 -25.513 -5.932 1.00 35.30 H new ATOM 0 HA PHE A 83 15.070 -27.534 -5.173 1.00 31.13 H new ATOM 0 HB2 PHE A 83 14.806 -25.197 -4.202 1.00 22.54 H new ATOM 0 HB3 PHE A 83 13.336 -25.749 -3.424 1.00 22.54 H new ATOM 0 HD1 PHE A 83 13.516 -27.748 -1.812 1.00 52.31 H new ATOM 0 HD2 PHE A 83 16.903 -25.566 -3.196 1.00 11.11 H new ATOM 0 HE1 PHE A 83 14.834 -28.597 0.079 1.00 43.43 H new ATOM 0 HE2 PHE A 83 18.224 -26.414 -1.307 1.00 65.13 H new ATOM 0 HZ PHE A 83 17.193 -27.935 0.333 1.00 70.44 H new ATOM 1299 N LEU A 84 11.893 -28.051 -4.616 1.00 55.31 N ATOM 1300 CA LEU A 84 10.913 -29.048 -4.197 1.00 5.43 C ATOM 1301 C LEU A 84 10.946 -30.263 -5.117 1.00 73.42 C ATOM 1302 O LEU A 84 10.635 -31.379 -4.700 1.00 74.24 O ATOM 1303 CB LEU A 84 9.510 -28.439 -4.185 1.00 70.32 C ATOM 1304 CG LEU A 84 9.387 -27.046 -3.568 1.00 44.30 C ATOM 1305 CD1 LEU A 84 7.959 -26.536 -3.680 1.00 70.01 C ATOM 1306 CD2 LEU A 84 9.836 -27.065 -2.114 1.00 43.11 C ATOM 0 H LEU A 84 11.491 -27.229 -5.066 1.00 55.31 H new ATOM 0 HA LEU A 84 11.169 -29.373 -3.188 1.00 5.43 H new ATOM 0 HB2 LEU A 84 9.147 -28.393 -5.212 1.00 70.32 H new ATOM 0 HB3 LEU A 84 8.848 -29.114 -3.643 1.00 70.32 H new ATOM 0 HG LEU A 84 10.037 -26.367 -4.120 1.00 44.30 H new ATOM 0 HD11 LEU A 84 7.891 -25.543 -3.235 1.00 70.01 H new ATOM 0 HD12 LEU A 84 7.673 -26.483 -4.730 1.00 70.01 H new ATOM 0 HD13 LEU A 84 7.288 -27.215 -3.155 1.00 70.01 H new ATOM 0 HD21 LEU A 84 9.742 -26.065 -1.691 1.00 43.11 H new ATOM 0 HD22 LEU A 84 9.212 -27.758 -1.550 1.00 43.11 H new ATOM 0 HD23 LEU A 84 10.876 -27.386 -2.059 1.00 43.11 H new ATOM 1318 N VAL A 85 11.326 -30.040 -6.371 1.00 42.01 N ATOM 1319 CA VAL A 85 11.403 -31.118 -7.350 1.00 53.53 C ATOM 1320 C VAL A 85 12.538 -32.080 -7.021 1.00 3.21 C ATOM 1321 O VAL A 85 12.446 -33.279 -7.286 1.00 44.51 O ATOM 1322 CB VAL A 85 11.607 -30.568 -8.775 1.00 31.13 C ATOM 1323 CG1 VAL A 85 11.642 -31.704 -9.785 1.00 60.25 C ATOM 1324 CG2 VAL A 85 10.514 -29.569 -9.121 1.00 52.55 C ATOM 0 H VAL A 85 11.585 -29.122 -6.733 1.00 42.01 H new ATOM 0 HA VAL A 85 10.454 -31.653 -7.307 1.00 53.53 H new ATOM 0 HB VAL A 85 12.566 -30.050 -8.813 1.00 31.13 H new ATOM 0 HG11 VAL A 85 11.787 -31.297 -10.786 1.00 60.25 H new ATOM 0 HG12 VAL A 85 12.464 -32.379 -9.545 1.00 60.25 H new ATOM 0 HG13 VAL A 85 10.700 -32.252 -9.749 1.00 60.25 H new ATOM 0 HG21 VAL A 85 10.673 -29.190 -10.131 1.00 52.55 H new ATOM 0 HG22 VAL A 85 9.542 -30.060 -9.067 1.00 52.55 H new ATOM 0 HG23 VAL A 85 10.542 -28.740 -8.414 1.00 52.55 H new ATOM 1334 N ARG A 86 13.609 -31.547 -6.441 1.00 13.21 N ATOM 1335 CA ARG A 86 14.763 -32.358 -6.076 1.00 24.45 C ATOM 1336 C ARG A 86 14.443 -33.255 -4.883 1.00 55.31 C ATOM 1337 O ARG A 86 14.625 -34.471 -4.940 1.00 45.20 O ATOM 1338 CB ARG A 86 15.959 -31.463 -5.747 1.00 4.02 C ATOM 1339 CG ARG A 86 16.695 -30.954 -6.976 1.00 11.24 C ATOM 1340 CD ARG A 86 17.326 -32.094 -7.759 1.00 51.15 C ATOM 1341 NE ARG A 86 18.148 -32.953 -6.911 1.00 14.42 N ATOM 1342 CZ ARG A 86 19.395 -32.661 -6.559 1.00 70.32 C ATOM 1343 NH1 ARG A 86 19.961 -31.539 -6.980 1.00 41.25 N ATOM 1344 NH2 ARG A 86 20.079 -33.493 -5.784 1.00 34.41 N ATOM 0 H ARG A 86 13.701 -30.557 -6.214 1.00 13.21 H new ATOM 0 HA ARG A 86 15.014 -32.990 -6.928 1.00 24.45 H new ATOM 0 HB2 ARG A 86 15.614 -30.611 -5.162 1.00 4.02 H new ATOM 0 HB3 ARG A 86 16.657 -32.019 -5.120 1.00 4.02 H new ATOM 0 HG2 ARG A 86 16.001 -30.411 -7.618 1.00 11.24 H new ATOM 0 HG3 ARG A 86 17.468 -30.248 -6.672 1.00 11.24 H new ATOM 0 HD2 ARG A 86 16.542 -32.690 -8.226 1.00 51.15 H new ATOM 0 HD3 ARG A 86 17.938 -31.686 -8.563 1.00 51.15 H new ATOM 0 HE ARG A 86 17.742 -33.825 -6.570 1.00 14.42 H new ATOM 0 HH11 ARG A 86 19.439 -30.897 -7.576 1.00 41.25 H new ATOM 0 HH12 ARG A 86 20.919 -31.318 -6.708 1.00 41.25 H new ATOM 0 HH21 ARG A 86 19.647 -34.358 -5.458 1.00 34.41 H new ATOM 0 HH22 ARG A 86 21.037 -33.268 -5.514 1.00 34.41 H new ATOM 1358 N VAL A 87 13.963 -32.645 -3.803 1.00 63.42 N ATOM 1359 CA VAL A 87 13.616 -33.388 -2.597 1.00 44.42 C ATOM 1360 C VAL A 87 12.577 -34.463 -2.894 1.00 10.24 C ATOM 1361 O VAL A 87 12.487 -35.466 -2.185 1.00 75.34 O ATOM 1362 CB VAL A 87 13.074 -32.453 -1.500 1.00 33.24 C ATOM 1363 CG1 VAL A 87 14.156 -31.492 -1.033 1.00 24.10 C ATOM 1364 CG2 VAL A 87 11.855 -31.693 -2.002 1.00 22.41 C ATOM 0 H VAL A 87 13.806 -31.639 -3.739 1.00 63.42 H new ATOM 0 HA VAL A 87 14.531 -33.861 -2.241 1.00 44.42 H new ATOM 0 HB VAL A 87 12.770 -33.061 -0.648 1.00 33.24 H new ATOM 0 HG11 VAL A 87 13.754 -30.840 -0.258 1.00 24.10 H new ATOM 0 HG12 VAL A 87 14.996 -32.058 -0.631 1.00 24.10 H new ATOM 0 HG13 VAL A 87 14.495 -30.889 -1.875 1.00 24.10 H new ATOM 0 HG21 VAL A 87 11.485 -31.037 -1.214 1.00 22.41 H new ATOM 0 HG22 VAL A 87 12.131 -31.096 -2.871 1.00 22.41 H new ATOM 0 HG23 VAL A 87 11.074 -32.401 -2.281 1.00 22.41 H new ATOM 1374 N HIS A 88 11.794 -34.247 -3.946 1.00 14.14 N ATOM 1375 CA HIS A 88 10.760 -35.199 -4.337 1.00 40.33 C ATOM 1376 C HIS A 88 11.380 -36.510 -4.809 1.00 70.42 C ATOM 1377 O HIS A 88 10.696 -37.527 -4.919 1.00 65.34 O ATOM 1378 CB HIS A 88 9.885 -34.607 -5.443 1.00 63.52 C ATOM 1379 CG HIS A 88 8.732 -33.802 -4.929 1.00 21.23 C ATOM 1380 ND1 HIS A 88 7.653 -33.449 -5.711 1.00 13.44 N ATOM 1381 CD2 HIS A 88 8.493 -33.282 -3.702 1.00 74.31 C ATOM 1382 CE1 HIS A 88 6.800 -32.745 -4.988 1.00 0.33 C ATOM 1383 NE2 HIS A 88 7.286 -32.630 -3.765 1.00 11.21 N ATOM 0 H HIS A 88 11.856 -33.422 -4.543 1.00 14.14 H new ATOM 0 HA HIS A 88 10.140 -35.404 -3.464 1.00 40.33 H new ATOM 0 HB2 HIS A 88 10.501 -33.976 -6.083 1.00 63.52 H new ATOM 0 HB3 HIS A 88 9.503 -35.416 -6.065 1.00 63.52 H new ATOM 0 HD2 HIS A 88 9.132 -33.365 -2.835 1.00 74.31 H new ATOM 0 HE1 HIS A 88 5.865 -32.334 -5.337 1.00 0.33 H new ATOM 0 HE2 HIS A 88 6.838 -32.137 -2.993 1.00 11.21 H new ATOM 1391 N GLY A 89 12.680 -36.479 -5.088 1.00 11.14 N ATOM 1392 CA GLY A 89 13.370 -37.671 -5.545 1.00 54.13 C ATOM 1393 C GLY A 89 13.461 -37.743 -7.057 1.00 23.34 C ATOM 1394 O GLY A 89 14.297 -38.465 -7.601 1.00 51.24 O ATOM 0 H GLY A 89 13.267 -35.649 -5.006 1.00 11.14 H new ATOM 0 HA2 GLY A 89 14.374 -37.691 -5.122 1.00 54.13 H new ATOM 0 HA3 GLY A 89 12.850 -38.554 -5.173 1.00 54.13 H new ATOM 1398 N VAL A 90 12.599 -36.995 -7.737 1.00 14.01 N ATOM 1399 CA VAL A 90 12.585 -36.978 -9.195 1.00 2.33 C ATOM 1400 C VAL A 90 13.540 -35.922 -9.741 1.00 23.24 C ATOM 1401 O VAL A 90 13.577 -34.793 -9.253 1.00 31.12 O ATOM 1402 CB VAL A 90 11.171 -36.705 -9.740 1.00 34.22 C ATOM 1403 CG1 VAL A 90 10.637 -35.385 -9.205 1.00 21.01 C ATOM 1404 CG2 VAL A 90 11.176 -36.710 -11.261 1.00 62.40 C ATOM 0 H VAL A 90 11.901 -36.392 -7.302 1.00 14.01 H new ATOM 0 HA VAL A 90 12.910 -37.964 -9.526 1.00 2.33 H new ATOM 0 HB VAL A 90 10.510 -37.502 -9.399 1.00 34.22 H new ATOM 0 HG11 VAL A 90 9.637 -35.210 -9.601 1.00 21.01 H new ATOM 0 HG12 VAL A 90 10.594 -35.424 -8.117 1.00 21.01 H new ATOM 0 HG13 VAL A 90 11.297 -34.574 -9.513 1.00 21.01 H new ATOM 0 HG21 VAL A 90 10.169 -36.515 -11.629 1.00 62.40 H new ATOM 0 HG22 VAL A 90 11.851 -35.936 -11.625 1.00 62.40 H new ATOM 0 HG23 VAL A 90 11.512 -37.683 -11.621 1.00 62.40 H new ATOM 1414 N GLU A 91 14.311 -36.298 -10.756 1.00 64.21 N ATOM 1415 CA GLU A 91 15.267 -35.383 -11.368 1.00 45.11 C ATOM 1416 C GLU A 91 14.593 -34.069 -11.753 1.00 61.33 C ATOM 1417 O GLU A 91 13.379 -33.999 -11.948 1.00 4.05 O ATOM 1418 CB GLU A 91 15.902 -36.024 -12.604 1.00 24.44 C ATOM 1419 CG GLU A 91 14.903 -36.733 -13.503 1.00 25.55 C ATOM 1420 CD GLU A 91 15.321 -36.724 -14.960 1.00 63.22 C ATOM 1421 OE1 GLU A 91 16.167 -37.560 -15.341 1.00 31.31 O ATOM 1422 OE2 GLU A 91 14.802 -35.880 -15.720 1.00 73.32 O ATOM 0 H GLU A 91 14.292 -37.229 -11.172 1.00 64.21 H new ATOM 0 HA GLU A 91 16.047 -35.171 -10.636 1.00 45.11 H new ATOM 0 HB2 GLU A 91 16.414 -35.253 -13.180 1.00 24.44 H new ATOM 0 HB3 GLU A 91 16.660 -36.738 -12.283 1.00 24.44 H new ATOM 0 HG2 GLU A 91 14.787 -37.764 -13.169 1.00 25.55 H new ATOM 0 HG3 GLU A 91 13.929 -36.254 -13.405 1.00 25.55 H new ATOM 1429 N PRO A 92 15.398 -33.002 -11.866 1.00 60.31 N ATOM 1430 CA PRO A 92 14.902 -31.671 -12.229 1.00 21.34 C ATOM 1431 C PRO A 92 14.441 -31.600 -13.680 1.00 64.05 C ATOM 1432 O PRO A 92 14.738 -32.488 -14.480 1.00 43.22 O ATOM 1433 CB PRO A 92 16.118 -30.768 -12.008 1.00 53.43 C ATOM 1434 CG PRO A 92 17.293 -31.670 -12.163 1.00 2.35 C ATOM 1435 CD PRO A 92 16.854 -33.013 -11.649 1.00 24.21 C ATOM 0 HA PRO A 92 14.030 -31.386 -11.641 1.00 21.34 H new ATOM 0 HB2 PRO A 92 16.145 -29.955 -12.734 1.00 53.43 H new ATOM 0 HB3 PRO A 92 16.097 -30.311 -11.018 1.00 53.43 H new ATOM 0 HG2 PRO A 92 17.602 -31.733 -13.207 1.00 2.35 H new ATOM 0 HG3 PRO A 92 18.148 -31.297 -11.600 1.00 2.35 H new ATOM 0 HD2 PRO A 92 17.335 -33.827 -12.191 1.00 24.21 H new ATOM 0 HD3 PRO A 92 17.102 -33.141 -10.595 1.00 24.21 H new ATOM 1443 N ASP A 93 13.715 -30.539 -14.014 1.00 45.24 N ATOM 1444 CA ASP A 93 13.215 -30.351 -15.371 1.00 40.12 C ATOM 1445 C ASP A 93 13.402 -28.906 -15.824 1.00 71.32 C ATOM 1446 O ASP A 93 13.067 -27.970 -15.099 1.00 11.41 O ATOM 1447 CB ASP A 93 11.737 -30.736 -15.450 1.00 70.24 C ATOM 1448 CG ASP A 93 11.511 -32.217 -15.217 1.00 23.02 C ATOM 1449 OD1 ASP A 93 11.570 -32.649 -14.046 1.00 61.24 O ATOM 1450 OD2 ASP A 93 11.275 -32.944 -16.204 1.00 41.33 O ATOM 0 H ASP A 93 13.459 -29.796 -13.364 1.00 45.24 H new ATOM 0 HA ASP A 93 13.787 -30.998 -16.036 1.00 40.12 H new ATOM 0 HB2 ASP A 93 11.176 -30.165 -14.710 1.00 70.24 H new ATOM 0 HB3 ASP A 93 11.345 -30.461 -16.429 1.00 70.24 H new ATOM 1455 N ASP A 94 13.940 -28.734 -17.027 1.00 14.34 N ATOM 1456 CA ASP A 94 14.171 -27.403 -17.577 1.00 24.13 C ATOM 1457 C ASP A 94 13.164 -27.087 -18.677 1.00 73.15 C ATOM 1458 O ASP A 94 12.736 -25.944 -18.832 1.00 5.23 O ATOM 1459 CB ASP A 94 15.595 -27.296 -18.125 1.00 41.42 C ATOM 1460 CG ASP A 94 15.917 -28.395 -19.118 1.00 43.34 C ATOM 1461 OD1 ASP A 94 16.344 -29.484 -18.681 1.00 34.12 O ATOM 1462 OD2 ASP A 94 15.742 -28.166 -20.333 1.00 45.24 O ATOM 0 H ASP A 94 14.224 -29.499 -17.639 1.00 14.34 H new ATOM 0 HA ASP A 94 14.043 -26.677 -16.774 1.00 24.13 H new ATOM 0 HB2 ASP A 94 15.724 -26.326 -18.606 1.00 41.42 H new ATOM 0 HB3 ASP A 94 16.304 -27.339 -17.298 1.00 41.42 H new ATOM 1467 N ASN A 95 12.789 -28.109 -19.441 1.00 2.50 N ATOM 1468 CA ASN A 95 11.833 -27.939 -20.529 1.00 31.20 C ATOM 1469 C ASN A 95 10.473 -27.499 -19.995 1.00 23.14 C ATOM 1470 O ASN A 95 9.875 -26.546 -20.496 1.00 21.24 O ATOM 1471 CB ASN A 95 11.686 -29.244 -21.315 1.00 5.22 C ATOM 1472 CG ASN A 95 12.697 -29.357 -22.440 1.00 73.41 C ATOM 1473 OD1 ASN A 95 13.719 -30.030 -22.306 1.00 1.01 O ATOM 1474 ND2 ASN A 95 12.414 -28.698 -23.558 1.00 10.15 N ATOM 0 H ASN A 95 13.133 -29.063 -19.326 1.00 2.50 H new ATOM 0 HA ASN A 95 12.211 -27.162 -21.193 1.00 31.20 H new ATOM 0 HB2 ASN A 95 11.805 -30.089 -20.637 1.00 5.22 H new ATOM 0 HB3 ASN A 95 10.679 -29.305 -21.727 1.00 5.22 H new ATOM 0 HD21 ASN A 95 13.056 -28.738 -24.350 1.00 10.15 H new ATOM 0 HD22 ASN A 95 11.555 -28.152 -23.625 1.00 10.15 H new ATOM 1481 N THR A 96 9.990 -28.199 -18.973 1.00 71.31 N ATOM 1482 CA THR A 96 8.701 -27.882 -18.371 1.00 24.14 C ATOM 1483 C THR A 96 8.672 -26.446 -17.859 1.00 62.32 C ATOM 1484 O THR A 96 7.608 -25.839 -17.749 1.00 3.45 O ATOM 1485 CB THR A 96 8.375 -28.836 -17.206 1.00 65.42 C ATOM 1486 OG1 THR A 96 9.462 -28.861 -16.274 1.00 64.33 O ATOM 1487 CG2 THR A 96 8.108 -30.244 -17.719 1.00 12.54 C ATOM 0 H THR A 96 10.472 -28.989 -18.545 1.00 71.31 H new ATOM 0 HA THR A 96 7.950 -28.003 -19.151 1.00 24.14 H new ATOM 0 HB THR A 96 7.477 -28.471 -16.707 1.00 65.42 H new ATOM 0 HG1 THR A 96 9.246 -29.468 -15.536 1.00 64.33 H new ATOM 0 HG21 THR A 96 7.880 -30.900 -16.879 1.00 12.54 H new ATOM 0 HG22 THR A 96 7.262 -30.227 -18.406 1.00 12.54 H new ATOM 0 HG23 THR A 96 8.991 -30.615 -18.240 1.00 12.54 H new ATOM 1495 N ASN A 97 9.848 -25.909 -17.549 1.00 72.34 N ATOM 1496 CA ASN A 97 9.956 -24.544 -17.050 1.00 3.54 C ATOM 1497 C ASN A 97 9.522 -23.539 -18.113 1.00 31.13 C ATOM 1498 O ASN A 97 9.051 -22.448 -17.795 1.00 43.31 O ATOM 1499 CB ASN A 97 11.393 -24.251 -16.612 1.00 40.03 C ATOM 1500 CG ASN A 97 11.476 -23.090 -15.640 1.00 24.32 C ATOM 1501 OD1 ASN A 97 10.492 -22.387 -15.410 1.00 25.04 O ATOM 1502 ND2 ASN A 97 12.655 -22.885 -15.064 1.00 1.22 N ATOM 0 H ASN A 97 10.739 -26.399 -17.635 1.00 72.34 H new ATOM 0 HA ASN A 97 9.293 -24.445 -16.190 1.00 3.54 H new ATOM 0 HB2 ASN A 97 11.817 -25.141 -16.147 1.00 40.03 H new ATOM 0 HB3 ASN A 97 12.000 -24.030 -17.490 1.00 40.03 H new ATOM 0 HD21 ASN A 97 12.772 -22.119 -14.401 1.00 1.22 H new ATOM 0 HD22 ASN A 97 13.443 -23.493 -15.285 1.00 1.22 H new ATOM 1509 N GLY A 98 9.683 -23.917 -19.377 1.00 40.03 N ATOM 1510 CA GLY A 98 9.302 -23.039 -20.468 1.00 44.32 C ATOM 1511 C GLY A 98 9.984 -21.687 -20.389 1.00 60.11 C ATOM 1512 O GLY A 98 9.339 -20.649 -20.535 1.00 53.22 O ATOM 0 H GLY A 98 10.070 -24.815 -19.665 1.00 40.03 H new ATOM 0 HA2 GLY A 98 9.552 -23.514 -21.417 1.00 44.32 H new ATOM 0 HA3 GLY A 98 8.221 -22.899 -20.457 1.00 44.32 H new ATOM 1516 N PHE A 99 11.292 -21.699 -20.156 1.00 2.44 N ATOM 1517 CA PHE A 99 12.062 -20.464 -20.054 1.00 74.04 C ATOM 1518 C PHE A 99 11.824 -19.574 -21.270 1.00 55.45 C ATOM 1519 O PHE A 99 11.897 -18.348 -21.181 1.00 43.23 O ATOM 1520 CB PHE A 99 13.553 -20.777 -19.922 1.00 24.21 C ATOM 1521 CG PHE A 99 14.405 -19.558 -19.711 1.00 64.41 C ATOM 1522 CD1 PHE A 99 14.039 -18.592 -18.789 1.00 10.24 C ATOM 1523 CD2 PHE A 99 15.573 -19.379 -20.436 1.00 34.10 C ATOM 1524 CE1 PHE A 99 14.821 -17.469 -18.592 1.00 30.11 C ATOM 1525 CE2 PHE A 99 16.359 -18.259 -20.243 1.00 53.23 C ATOM 1526 CZ PHE A 99 15.982 -17.302 -19.321 1.00 71.01 C ATOM 0 H PHE A 99 11.841 -22.550 -20.034 1.00 2.44 H new ATOM 0 HA PHE A 99 11.730 -19.930 -19.163 1.00 74.04 H new ATOM 0 HB2 PHE A 99 13.700 -21.462 -19.087 1.00 24.21 H new ATOM 0 HB3 PHE A 99 13.889 -21.294 -20.821 1.00 24.21 H new ATOM 0 HD1 PHE A 99 13.132 -18.717 -18.217 1.00 10.24 H new ATOM 0 HD2 PHE A 99 15.872 -20.123 -21.160 1.00 34.10 H new ATOM 0 HE1 PHE A 99 14.524 -16.723 -17.869 1.00 30.11 H new ATOM 0 HE2 PHE A 99 17.268 -18.132 -20.813 1.00 53.23 H new ATOM 0 HZ PHE A 99 16.594 -16.425 -19.171 1.00 71.01 H new ATOM 1536 N LYS A 100 11.538 -20.199 -22.407 1.00 71.14 N ATOM 1537 CA LYS A 100 11.288 -19.466 -23.643 1.00 31.03 C ATOM 1538 C LYS A 100 10.217 -18.400 -23.435 1.00 42.43 C ATOM 1539 O LYS A 100 10.367 -17.262 -23.878 1.00 10.50 O ATOM 1540 CB LYS A 100 10.857 -20.428 -24.752 1.00 53.33 C ATOM 1541 CG LYS A 100 11.263 -19.973 -26.143 1.00 42.13 C ATOM 1542 CD LYS A 100 10.802 -20.954 -27.208 1.00 22.31 C ATOM 1543 CE LYS A 100 9.328 -20.770 -27.535 1.00 21.23 C ATOM 1544 NZ LYS A 100 8.986 -21.311 -28.879 1.00 63.53 N ATOM 0 H LYS A 100 11.473 -21.213 -22.498 1.00 71.14 H new ATOM 0 HA LYS A 100 12.214 -18.973 -23.938 1.00 31.03 H new ATOM 0 HB2 LYS A 100 11.290 -21.409 -24.559 1.00 53.33 H new ATOM 0 HB3 LYS A 100 9.774 -20.546 -24.719 1.00 53.33 H new ATOM 0 HG2 LYS A 100 10.837 -18.990 -26.344 1.00 42.13 H new ATOM 0 HG3 LYS A 100 12.347 -19.866 -26.190 1.00 42.13 H new ATOM 0 HD2 LYS A 100 11.396 -20.817 -28.112 1.00 22.31 H new ATOM 0 HD3 LYS A 100 10.975 -21.974 -26.864 1.00 22.31 H new ATOM 0 HE2 LYS A 100 8.723 -21.269 -26.778 1.00 21.23 H new ATOM 0 HE3 LYS A 100 9.077 -19.710 -27.496 1.00 21.23 H new ATOM 0 HZ1 LYS A 100 7.973 -21.166 -29.064 1.00 63.53 H new ATOM 0 HZ2 LYS A 100 9.544 -20.817 -29.604 1.00 63.53 H new ATOM 0 HZ3 LYS A 100 9.201 -22.328 -28.909 1.00 63.53 H new ATOM 1558 N GLY A 101 9.137 -18.776 -22.758 1.00 12.33 N ATOM 1559 CA GLY A 101 8.058 -17.839 -22.502 1.00 71.35 C ATOM 1560 C GLY A 101 8.340 -16.939 -21.316 1.00 32.43 C ATOM 1561 O GLY A 101 7.970 -15.765 -21.316 1.00 52.51 O ATOM 0 H GLY A 101 8.989 -19.713 -22.382 1.00 12.33 H new ATOM 0 HA2 GLY A 101 7.895 -17.226 -23.389 1.00 71.35 H new ATOM 0 HA3 GLY A 101 7.136 -18.392 -22.323 1.00 71.35 H new ATOM 1565 N LEU A 102 8.995 -17.491 -20.300 1.00 11.50 N ATOM 1566 CA LEU A 102 9.325 -16.730 -19.100 1.00 21.03 C ATOM 1567 C LEU A 102 10.280 -15.586 -19.425 1.00 60.13 C ATOM 1568 O LEU A 102 10.263 -14.545 -18.770 1.00 54.51 O ATOM 1569 CB LEU A 102 9.950 -17.647 -18.047 1.00 31.12 C ATOM 1570 CG LEU A 102 10.686 -16.951 -16.902 1.00 44.51 C ATOM 1571 CD1 LEU A 102 9.794 -15.905 -16.251 1.00 20.43 C ATOM 1572 CD2 LEU A 102 11.157 -17.968 -15.873 1.00 63.34 C ATOM 0 H LEU A 102 9.308 -18.462 -20.283 1.00 11.50 H new ATOM 0 HA LEU A 102 8.402 -16.306 -18.704 1.00 21.03 H new ATOM 0 HB2 LEU A 102 9.162 -18.268 -17.621 1.00 31.12 H new ATOM 0 HB3 LEU A 102 10.649 -18.318 -18.547 1.00 31.12 H new ATOM 0 HG LEU A 102 11.561 -16.448 -17.312 1.00 44.51 H new ATOM 0 HD11 LEU A 102 10.335 -15.420 -15.438 1.00 20.43 H new ATOM 0 HD12 LEU A 102 9.508 -15.159 -16.992 1.00 20.43 H new ATOM 0 HD13 LEU A 102 8.899 -16.385 -15.855 1.00 20.43 H new ATOM 0 HD21 LEU A 102 11.679 -17.454 -15.066 1.00 63.34 H new ATOM 0 HD22 LEU A 102 10.297 -18.501 -15.468 1.00 63.34 H new ATOM 0 HD23 LEU A 102 11.834 -18.679 -16.347 1.00 63.34 H new ATOM 1584 N MET A 103 11.111 -15.787 -20.443 1.00 32.10 N ATOM 1585 CA MET A 103 12.071 -14.771 -20.858 1.00 14.43 C ATOM 1586 C MET A 103 11.366 -13.606 -21.546 1.00 72.12 C ATOM 1587 O MET A 103 11.617 -12.442 -21.233 1.00 62.13 O ATOM 1588 CB MET A 103 13.115 -15.377 -21.797 1.00 74.41 C ATOM 1589 CG MET A 103 14.158 -14.379 -22.272 1.00 71.22 C ATOM 1590 SD MET A 103 15.416 -14.043 -21.025 1.00 64.34 S ATOM 1591 CE MET A 103 14.833 -12.483 -20.367 1.00 41.03 C ATOM 0 H MET A 103 11.139 -16.644 -20.995 1.00 32.10 H new ATOM 0 HA MET A 103 12.572 -14.394 -19.966 1.00 14.43 H new ATOM 0 HB2 MET A 103 13.617 -16.199 -21.287 1.00 74.41 H new ATOM 0 HB3 MET A 103 12.609 -15.801 -22.664 1.00 74.41 H new ATOM 0 HG2 MET A 103 14.638 -14.762 -23.173 1.00 71.22 H new ATOM 0 HG3 MET A 103 13.665 -13.446 -22.545 1.00 71.22 H new ATOM 0 HE1 MET A 103 15.555 -12.100 -19.646 1.00 41.03 H new ATOM 0 HE2 MET A 103 14.716 -11.766 -21.180 1.00 41.03 H new ATOM 0 HE3 MET A 103 13.872 -12.632 -19.874 1.00 41.03 H new ATOM 1601 N LYS A 104 10.483 -13.927 -22.486 1.00 15.15 N ATOM 1602 CA LYS A 104 9.740 -12.908 -23.218 1.00 61.13 C ATOM 1603 C LYS A 104 8.670 -12.274 -22.335 1.00 71.33 C ATOM 1604 O LYS A 104 8.269 -11.131 -22.554 1.00 2.24 O ATOM 1605 CB LYS A 104 9.093 -13.517 -24.465 1.00 4.43 C ATOM 1606 CG LYS A 104 9.984 -13.474 -25.694 1.00 71.13 C ATOM 1607 CD LYS A 104 11.143 -14.450 -25.578 1.00 12.14 C ATOM 1608 CE LYS A 104 11.661 -14.866 -26.946 1.00 33.53 C ATOM 1609 NZ LYS A 104 12.756 -15.870 -26.842 1.00 70.12 N ATOM 0 H LYS A 104 10.265 -14.885 -22.759 1.00 15.15 H new ATOM 0 HA LYS A 104 10.441 -12.131 -23.522 1.00 61.13 H new ATOM 0 HB2 LYS A 104 8.826 -14.553 -24.256 1.00 4.43 H new ATOM 0 HB3 LYS A 104 8.166 -12.985 -24.680 1.00 4.43 H new ATOM 0 HG2 LYS A 104 9.395 -13.711 -26.580 1.00 71.13 H new ATOM 0 HG3 LYS A 104 10.370 -12.464 -25.829 1.00 71.13 H new ATOM 0 HD2 LYS A 104 11.950 -13.992 -25.006 1.00 12.14 H new ATOM 0 HD3 LYS A 104 10.822 -15.333 -25.025 1.00 12.14 H new ATOM 0 HE2 LYS A 104 10.842 -15.281 -27.534 1.00 33.53 H new ATOM 0 HE3 LYS A 104 12.023 -13.987 -27.480 1.00 33.53 H new ATOM 0 HZ1 LYS A 104 13.082 -16.128 -27.795 1.00 70.12 H new ATOM 0 HZ2 LYS A 104 13.548 -15.465 -26.303 1.00 70.12 H new ATOM 0 HZ3 LYS A 104 12.404 -16.719 -26.355 1.00 70.12 H new ATOM 1623 N ARG A 105 8.212 -13.023 -21.338 1.00 24.54 N ATOM 1624 CA ARG A 105 7.189 -12.534 -20.422 1.00 20.12 C ATOM 1625 C ARG A 105 7.604 -11.202 -19.804 1.00 23.10 C ATOM 1626 O ARG A 105 6.828 -10.246 -19.782 1.00 23.10 O ATOM 1627 CB ARG A 105 6.929 -13.561 -19.318 1.00 74.13 C ATOM 1628 CG ARG A 105 5.657 -14.367 -19.524 1.00 74.24 C ATOM 1629 CD ARG A 105 5.584 -15.547 -18.568 1.00 33.20 C ATOM 1630 NE ARG A 105 5.106 -16.759 -19.229 1.00 15.33 N ATOM 1631 CZ ARG A 105 5.306 -17.983 -18.753 1.00 55.24 C ATOM 1632 NH1 ARG A 105 5.971 -18.157 -17.620 1.00 13.12 N ATOM 1633 NH2 ARG A 105 4.839 -19.036 -19.412 1.00 62.02 N ATOM 0 H ARG A 105 8.533 -13.971 -21.144 1.00 24.54 H new ATOM 0 HA ARG A 105 6.272 -12.381 -20.990 1.00 20.12 H new ATOM 0 HB2 ARG A 105 7.777 -14.244 -19.262 1.00 74.13 H new ATOM 0 HB3 ARG A 105 6.871 -13.045 -18.360 1.00 74.13 H new ATOM 0 HG2 ARG A 105 4.790 -13.724 -19.376 1.00 74.24 H new ATOM 0 HG3 ARG A 105 5.616 -14.727 -20.552 1.00 74.24 H new ATOM 0 HD2 ARG A 105 6.571 -15.731 -18.143 1.00 33.20 H new ATOM 0 HD3 ARG A 105 4.921 -15.301 -17.739 1.00 33.20 H new ATOM 0 HE ARG A 105 4.591 -16.660 -20.104 1.00 15.33 H new ATOM 0 HH11 ARG A 105 6.331 -17.350 -17.111 1.00 13.12 H new ATOM 0 HH12 ARG A 105 6.123 -19.098 -17.257 1.00 13.12 H new ATOM 0 HH21 ARG A 105 4.326 -18.906 -20.284 1.00 62.02 H new ATOM 0 HH22 ARG A 105 4.993 -19.976 -19.046 1.00 62.02 H new ATOM 1647 N THR A 106 8.834 -11.146 -19.302 1.00 20.33 N ATOM 1648 CA THR A 106 9.352 -9.933 -18.682 1.00 62.21 C ATOM 1649 C THR A 106 9.912 -8.977 -19.729 1.00 60.00 C ATOM 1650 O THR A 106 9.716 -7.764 -19.646 1.00 71.00 O ATOM 1651 CB THR A 106 10.454 -10.254 -17.655 1.00 1.34 C ATOM 1652 OG1 THR A 106 11.087 -11.495 -17.986 1.00 42.42 O ATOM 1653 CG2 THR A 106 9.877 -10.333 -16.249 1.00 41.33 C ATOM 0 H THR A 106 9.490 -11.927 -19.313 1.00 20.33 H new ATOM 0 HA THR A 106 8.516 -9.457 -18.170 1.00 62.21 H new ATOM 0 HB THR A 106 11.191 -9.452 -17.684 1.00 1.34 H new ATOM 0 HG1 THR A 106 11.776 -11.698 -17.320 1.00 42.42 H new ATOM 0 HG21 THR A 106 10.674 -10.561 -15.541 1.00 41.33 H new ATOM 0 HG22 THR A 106 9.422 -9.377 -15.988 1.00 41.33 H new ATOM 0 HG23 THR A 106 9.121 -11.118 -16.209 1.00 41.33 H new ATOM 1661 N THR A 107 10.610 -9.530 -20.716 1.00 23.20 N ATOM 1662 CA THR A 107 11.199 -8.726 -21.779 1.00 62.35 C ATOM 1663 C THR A 107 10.161 -7.807 -22.413 1.00 21.20 C ATOM 1664 O THR A 107 10.472 -6.686 -22.816 1.00 64.32 O ATOM 1665 CB THR A 107 11.820 -9.613 -22.875 1.00 44.34 C ATOM 1666 OG1 THR A 107 12.855 -10.430 -22.317 1.00 11.05 O ATOM 1667 CG2 THR A 107 12.391 -8.762 -24.000 1.00 71.44 C ATOM 0 H THR A 107 10.781 -10.532 -20.801 1.00 23.20 H new ATOM 0 HA THR A 107 11.983 -8.123 -21.322 1.00 62.35 H new ATOM 0 HB THR A 107 11.035 -10.250 -23.283 1.00 44.34 H new ATOM 0 HG1 THR A 107 12.497 -11.320 -22.117 1.00 11.05 H new ATOM 0 HG21 THR A 107 12.824 -9.410 -24.762 1.00 71.44 H new ATOM 0 HG22 THR A 107 11.595 -8.163 -24.442 1.00 71.44 H new ATOM 0 HG23 THR A 107 13.163 -8.103 -23.602 1.00 71.44 H new ATOM 1675 N LYS A 108 8.925 -8.288 -22.498 1.00 2.35 N ATOM 1676 CA LYS A 108 7.839 -7.509 -23.080 1.00 41.23 C ATOM 1677 C LYS A 108 7.767 -6.121 -22.452 1.00 34.04 C ATOM 1678 O LYS A 108 7.609 -5.119 -23.151 1.00 30.05 O ATOM 1679 CB LYS A 108 6.505 -8.236 -22.893 1.00 44.52 C ATOM 1680 CG LYS A 108 5.909 -8.755 -24.190 1.00 34.03 C ATOM 1681 CD LYS A 108 4.390 -8.758 -24.143 1.00 32.13 C ATOM 1682 CE LYS A 108 3.808 -9.875 -24.996 1.00 1.03 C ATOM 1683 NZ LYS A 108 4.171 -9.722 -26.432 1.00 30.41 N ATOM 0 H LYS A 108 8.651 -9.214 -22.171 1.00 2.35 H new ATOM 0 HA LYS A 108 8.037 -7.396 -24.146 1.00 41.23 H new ATOM 0 HB2 LYS A 108 6.649 -9.072 -22.209 1.00 44.52 H new ATOM 0 HB3 LYS A 108 5.794 -7.558 -22.422 1.00 44.52 H new ATOM 0 HG2 LYS A 108 6.247 -8.135 -25.021 1.00 34.03 H new ATOM 0 HG3 LYS A 108 6.270 -9.766 -24.379 1.00 34.03 H new ATOM 0 HD2 LYS A 108 4.057 -8.875 -23.112 1.00 32.13 H new ATOM 0 HD3 LYS A 108 4.012 -7.797 -24.493 1.00 32.13 H new ATOM 0 HE2 LYS A 108 4.169 -10.837 -24.631 1.00 1.03 H new ATOM 0 HE3 LYS A 108 2.723 -9.882 -24.894 1.00 1.03 H new ATOM 0 HZ1 LYS A 108 3.714 -10.473 -26.988 1.00 30.41 H new ATOM 0 HZ2 LYS A 108 3.850 -8.794 -26.774 1.00 30.41 H new ATOM 0 HZ3 LYS A 108 5.203 -9.792 -26.539 1.00 30.41 H new ATOM 1697 N LEU A 109 7.884 -6.069 -21.129 1.00 53.24 N ATOM 1698 CA LEU A 109 7.833 -4.803 -20.406 1.00 40.12 C ATOM 1699 C LEU A 109 9.152 -4.048 -20.537 1.00 52.43 C ATOM 1700 O LEU A 109 9.168 -2.823 -20.669 1.00 71.12 O ATOM 1701 CB LEU A 109 7.518 -5.049 -18.930 1.00 14.33 C ATOM 1702 CG LEU A 109 6.530 -6.178 -18.633 1.00 50.23 C ATOM 1703 CD1 LEU A 109 6.356 -6.354 -17.133 1.00 32.51 C ATOM 1704 CD2 LEU A 109 5.190 -5.902 -19.299 1.00 35.31 C ATOM 0 H LEU A 109 8.015 -6.888 -20.536 1.00 53.24 H new ATOM 0 HA LEU A 109 7.042 -4.194 -20.844 1.00 40.12 H new ATOM 0 HB2 LEU A 109 8.452 -5.265 -18.411 1.00 14.33 H new ATOM 0 HB3 LEU A 109 7.123 -4.126 -18.505 1.00 14.33 H new ATOM 0 HG LEU A 109 6.932 -7.105 -19.042 1.00 50.23 H new ATOM 0 HD11 LEU A 109 5.650 -7.162 -16.941 1.00 32.51 H new ATOM 0 HD12 LEU A 109 7.318 -6.598 -16.681 1.00 32.51 H new ATOM 0 HD13 LEU A 109 5.976 -5.429 -16.700 1.00 32.51 H new ATOM 0 HD21 LEU A 109 4.499 -6.715 -19.077 1.00 35.31 H new ATOM 0 HD22 LEU A 109 4.781 -4.965 -18.920 1.00 35.31 H new ATOM 0 HD23 LEU A 109 5.328 -5.827 -20.378 1.00 35.31 H new ATOM 1716 N LEU A 110 10.256 -4.785 -20.502 1.00 71.42 N ATOM 1717 CA LEU A 110 11.581 -4.186 -20.620 1.00 13.15 C ATOM 1718 C LEU A 110 11.691 -3.355 -21.894 1.00 4.33 C ATOM 1719 O LEU A 110 12.486 -2.417 -21.970 1.00 22.53 O ATOM 1720 CB LEU A 110 12.657 -5.273 -20.611 1.00 73.22 C ATOM 1721 CG LEU A 110 13.245 -5.625 -19.244 1.00 52.03 C ATOM 1722 CD1 LEU A 110 13.933 -4.415 -18.632 1.00 12.12 C ATOM 1723 CD2 LEU A 110 12.160 -6.150 -18.316 1.00 34.40 C ATOM 0 H LEU A 110 10.260 -5.799 -20.393 1.00 71.42 H new ATOM 0 HA LEU A 110 11.733 -3.528 -19.765 1.00 13.15 H new ATOM 0 HB2 LEU A 110 12.234 -6.178 -21.046 1.00 73.22 H new ATOM 0 HB3 LEU A 110 13.471 -4.956 -21.263 1.00 73.22 H new ATOM 0 HG LEU A 110 13.989 -6.410 -19.381 1.00 52.03 H new ATOM 0 HD11 LEU A 110 14.345 -4.684 -17.660 1.00 12.12 H new ATOM 0 HD12 LEU A 110 14.738 -4.083 -19.288 1.00 12.12 H new ATOM 0 HD13 LEU A 110 13.210 -3.609 -18.509 1.00 12.12 H new ATOM 0 HD21 LEU A 110 12.597 -6.395 -17.348 1.00 34.40 H new ATOM 0 HD22 LEU A 110 11.393 -5.387 -18.185 1.00 34.40 H new ATOM 0 HD23 LEU A 110 11.712 -7.044 -18.749 1.00 34.40 H new ATOM 1735 N LYS A 111 10.887 -3.703 -22.893 1.00 4.24 N ATOM 1736 CA LYS A 111 10.891 -2.988 -24.163 1.00 43.43 C ATOM 1737 C LYS A 111 10.143 -1.664 -24.045 1.00 3.43 C ATOM 1738 O LYS A 111 10.431 -0.709 -24.767 1.00 2.10 O ATOM 1739 CB LYS A 111 10.256 -3.848 -25.258 1.00 44.12 C ATOM 1740 CG LYS A 111 11.112 -5.031 -25.675 1.00 24.43 C ATOM 1741 CD LYS A 111 12.165 -4.627 -26.693 1.00 62.21 C ATOM 1742 CE LYS A 111 11.629 -4.715 -28.114 1.00 1.32 C ATOM 1743 NZ LYS A 111 10.904 -3.476 -28.510 1.00 74.11 N ATOM 0 H LYS A 111 10.224 -4.477 -22.847 1.00 4.24 H new ATOM 0 HA LYS A 111 11.927 -2.778 -24.429 1.00 43.43 H new ATOM 0 HB2 LYS A 111 9.291 -4.214 -24.907 1.00 44.12 H new ATOM 0 HB3 LYS A 111 10.062 -3.225 -26.131 1.00 44.12 H new ATOM 0 HG2 LYS A 111 11.598 -5.457 -24.797 1.00 24.43 H new ATOM 0 HG3 LYS A 111 10.477 -5.810 -26.097 1.00 24.43 H new ATOM 0 HD2 LYS A 111 12.497 -3.609 -26.490 1.00 62.21 H new ATOM 0 HD3 LYS A 111 13.037 -5.272 -26.591 1.00 62.21 H new ATOM 0 HE2 LYS A 111 12.455 -4.889 -28.804 1.00 1.32 H new ATOM 0 HE3 LYS A 111 10.959 -5.571 -28.197 1.00 1.32 H new ATOM 0 HZ1 LYS A 111 10.968 -3.351 -29.540 1.00 74.11 H new ATOM 0 HZ2 LYS A 111 9.905 -3.555 -28.232 1.00 74.11 H new ATOM 0 HZ3 LYS A 111 11.332 -2.656 -28.034 1.00 74.11 H new ATOM 1757 N LYS A 112 9.183 -1.612 -23.128 1.00 74.02 N ATOM 1758 CA LYS A 112 8.395 -0.404 -22.912 1.00 74.43 C ATOM 1759 C LYS A 112 9.142 0.581 -22.019 1.00 61.32 C ATOM 1760 O LYS A 112 8.984 1.795 -22.149 1.00 22.32 O ATOM 1761 CB LYS A 112 7.045 -0.757 -22.283 1.00 20.13 C ATOM 1762 CG LYS A 112 5.956 -1.047 -23.301 1.00 11.50 C ATOM 1763 CD LYS A 112 6.039 -2.473 -23.817 1.00 25.44 C ATOM 1764 CE LYS A 112 6.807 -2.548 -25.128 1.00 21.24 C ATOM 1765 NZ LYS A 112 5.915 -2.354 -26.304 1.00 64.34 N ATOM 0 H LYS A 112 8.932 -2.393 -22.522 1.00 74.02 H new ATOM 0 HA LYS A 112 8.226 0.067 -23.880 1.00 74.43 H new ATOM 0 HB2 LYS A 112 7.170 -1.628 -21.640 1.00 20.13 H new ATOM 0 HB3 LYS A 112 6.724 0.067 -21.645 1.00 20.13 H new ATOM 0 HG2 LYS A 112 4.979 -0.880 -22.847 1.00 11.50 H new ATOM 0 HG3 LYS A 112 6.043 -0.352 -24.136 1.00 11.50 H new ATOM 0 HD2 LYS A 112 6.526 -3.103 -23.072 1.00 25.44 H new ATOM 0 HD3 LYS A 112 5.033 -2.868 -23.960 1.00 25.44 H new ATOM 0 HE2 LYS A 112 7.588 -1.788 -25.135 1.00 21.24 H new ATOM 0 HE3 LYS A 112 7.303 -3.516 -25.204 1.00 21.24 H new ATOM 0 HZ1 LYS A 112 6.475 -2.412 -27.178 1.00 64.34 H new ATOM 0 HZ2 LYS A 112 5.184 -3.094 -26.311 1.00 64.34 H new ATOM 0 HZ3 LYS A 112 5.461 -1.420 -26.245 1.00 64.34 H new ATOM 1779 N VAL A 113 9.958 0.050 -21.114 1.00 12.14 N ATOM 1780 CA VAL A 113 10.732 0.883 -20.201 1.00 30.21 C ATOM 1781 C VAL A 113 11.999 1.402 -20.871 1.00 61.22 C ATOM 1782 O VAL A 113 12.427 2.530 -20.626 1.00 21.45 O ATOM 1783 CB VAL A 113 11.119 0.109 -18.926 1.00 55.23 C ATOM 1784 CG1 VAL A 113 11.549 1.070 -17.828 1.00 63.24 C ATOM 1785 CG2 VAL A 113 9.961 -0.761 -18.461 1.00 24.55 C ATOM 0 H VAL A 113 10.100 -0.953 -20.993 1.00 12.14 H new ATOM 0 HA VAL A 113 10.098 1.726 -19.927 1.00 30.21 H new ATOM 0 HB VAL A 113 11.963 -0.541 -19.157 1.00 55.23 H new ATOM 0 HG11 VAL A 113 11.819 0.505 -16.935 1.00 63.24 H new ATOM 0 HG12 VAL A 113 12.410 1.647 -18.166 1.00 63.24 H new ATOM 0 HG13 VAL A 113 10.727 1.747 -17.595 1.00 63.24 H new ATOM 0 HG21 VAL A 113 10.251 -1.301 -17.560 1.00 24.55 H new ATOM 0 HG22 VAL A 113 9.097 -0.132 -18.245 1.00 24.55 H new ATOM 0 HG23 VAL A 113 9.704 -1.474 -19.244 1.00 24.55 H new ATOM 1795 N VAL A 114 12.596 0.571 -21.720 1.00 74.03 N ATOM 1796 CA VAL A 114 13.814 0.946 -22.428 1.00 53.04 C ATOM 1797 C VAL A 114 13.544 2.059 -23.434 1.00 51.33 C ATOM 1798 O VAL A 114 14.473 2.667 -23.967 1.00 74.23 O ATOM 1799 CB VAL A 114 14.428 -0.259 -23.165 1.00 41.13 C ATOM 1800 CG1 VAL A 114 13.531 -0.697 -24.313 1.00 22.21 C ATOM 1801 CG2 VAL A 114 15.824 0.079 -23.668 1.00 14.45 C ATOM 0 H VAL A 114 12.256 -0.366 -21.934 1.00 74.03 H new ATOM 0 HA VAL A 114 14.520 1.302 -21.677 1.00 53.04 H new ATOM 0 HB VAL A 114 14.510 -1.089 -22.463 1.00 41.13 H new ATOM 0 HG11 VAL A 114 13.981 -1.549 -24.822 1.00 22.21 H new ATOM 0 HG12 VAL A 114 12.554 -0.982 -23.923 1.00 22.21 H new ATOM 0 HG13 VAL A 114 13.414 0.126 -25.018 1.00 22.21 H new ATOM 0 HG21 VAL A 114 16.243 -0.784 -24.186 1.00 14.45 H new ATOM 0 HG22 VAL A 114 15.769 0.923 -24.355 1.00 14.45 H new ATOM 0 HG23 VAL A 114 16.462 0.340 -22.823 1.00 14.45 H new ATOM 1811 N ASP A 115 12.267 2.322 -23.689 1.00 51.20 N ATOM 1812 CA ASP A 115 11.874 3.364 -24.630 1.00 52.34 C ATOM 1813 C ASP A 115 12.088 4.749 -24.028 1.00 53.41 C ATOM 1814 O ASP A 115 12.886 5.540 -24.530 1.00 44.44 O ATOM 1815 CB ASP A 115 10.409 3.191 -25.034 1.00 33.42 C ATOM 1816 CG ASP A 115 10.009 4.108 -26.172 1.00 40.43 C ATOM 1817 OD1 ASP A 115 10.909 4.715 -26.790 1.00 64.43 O ATOM 1818 OD2 ASP A 115 8.796 4.220 -26.446 1.00 31.01 O ATOM 0 H ASP A 115 11.486 1.828 -23.257 1.00 51.20 H new ATOM 0 HA ASP A 115 12.501 3.272 -25.517 1.00 52.34 H new ATOM 0 HB2 ASP A 115 10.236 2.156 -25.328 1.00 33.42 H new ATOM 0 HB3 ASP A 115 9.772 3.388 -24.172 1.00 33.42 H new ATOM 1823 N LYS A 116 11.368 5.037 -22.949 1.00 11.30 N ATOM 1824 CA LYS A 116 11.478 6.327 -22.277 1.00 31.41 C ATOM 1825 C LYS A 116 12.486 6.260 -21.134 1.00 13.02 C ATOM 1826 O LYS A 116 13.384 7.097 -21.035 1.00 60.44 O ATOM 1827 CB LYS A 116 10.112 6.764 -21.742 1.00 44.32 C ATOM 1828 CG LYS A 116 9.142 7.191 -22.830 1.00 34.24 C ATOM 1829 CD LYS A 116 8.342 6.011 -23.357 1.00 41.43 C ATOM 1830 CE LYS A 116 7.007 6.456 -23.934 1.00 12.52 C ATOM 1831 NZ LYS A 116 7.175 7.507 -24.976 1.00 10.35 N ATOM 0 H LYS A 116 10.702 4.394 -22.521 1.00 11.30 H new ATOM 0 HA LYS A 116 11.828 7.060 -23.004 1.00 31.41 H new ATOM 0 HB2 LYS A 116 9.672 5.942 -21.177 1.00 44.32 H new ATOM 0 HB3 LYS A 116 10.251 7.591 -21.046 1.00 44.32 H new ATOM 0 HG2 LYS A 116 8.462 7.946 -22.437 1.00 34.24 H new ATOM 0 HG3 LYS A 116 9.693 7.653 -23.649 1.00 34.24 H new ATOM 0 HD2 LYS A 116 8.917 5.494 -24.125 1.00 41.43 H new ATOM 0 HD3 LYS A 116 8.172 5.297 -22.551 1.00 41.43 H new ATOM 0 HE2 LYS A 116 6.493 5.597 -24.365 1.00 12.52 H new ATOM 0 HE3 LYS A 116 6.374 6.837 -23.133 1.00 12.52 H new ATOM 0 HZ1 LYS A 116 6.277 7.638 -25.485 1.00 10.35 H new ATOM 0 HZ2 LYS A 116 7.451 8.402 -24.525 1.00 10.35 H new ATOM 0 HZ3 LYS A 116 7.914 7.215 -25.647 1.00 10.35 H new ATOM 1845 N HIS A 117 12.332 5.259 -20.272 1.00 53.35 N ATOM 1846 CA HIS A 117 13.230 5.083 -19.137 1.00 62.21 C ATOM 1847 C HIS A 117 14.628 4.691 -19.606 1.00 42.24 C ATOM 1848 O HIS A 117 15.613 4.907 -18.902 1.00 23.22 O ATOM 1849 CB HIS A 117 12.682 4.018 -18.187 1.00 12.25 C ATOM 1850 CG HIS A 117 12.853 4.362 -16.739 1.00 11.41 C ATOM 1851 ND1 HIS A 117 14.028 4.860 -16.218 1.00 4.34 N ATOM 1852 CD2 HIS A 117 11.988 4.280 -15.701 1.00 60.31 C ATOM 1853 CE1 HIS A 117 13.880 5.067 -14.921 1.00 53.23 C ATOM 1854 NE2 HIS A 117 12.650 4.723 -14.583 1.00 2.22 N ATOM 0 H HIS A 117 11.594 4.558 -20.339 1.00 53.35 H new ATOM 0 HA HIS A 117 13.296 6.033 -18.607 1.00 62.21 H new ATOM 0 HB2 HIS A 117 11.622 3.869 -18.394 1.00 12.25 H new ATOM 0 HB3 HIS A 117 13.182 3.071 -18.389 1.00 12.25 H new ATOM 0 HD1 HIS A 117 14.879 5.041 -16.750 1.00 4.34 H new ATOM 0 HD2 HIS A 117 10.967 3.931 -15.744 1.00 60.31 H new ATOM 0 HE1 HIS A 117 14.635 5.452 -14.252 1.00 53.23 H new ATOM 1862 N GLY A 118 14.706 4.114 -20.801 1.00 61.55 N ATOM 1863 CA GLY A 118 15.987 3.700 -21.344 1.00 3.34 C ATOM 1864 C GLY A 118 16.562 2.498 -20.621 1.00 73.34 C ATOM 1865 O GLY A 118 17.700 2.100 -20.872 1.00 51.31 O ATOM 0 H GLY A 118 13.905 3.926 -21.403 1.00 61.55 H new ATOM 0 HA2 GLY A 118 15.870 3.462 -22.401 1.00 3.34 H new ATOM 0 HA3 GLY A 118 16.691 4.530 -21.280 1.00 3.34 H new ATOM 1869 N ILE A 119 15.774 1.918 -19.722 1.00 2.12 N ATOM 1870 CA ILE A 119 16.212 0.754 -18.961 1.00 12.41 C ATOM 1871 C ILE A 119 16.511 -0.424 -19.882 1.00 13.23 C ATOM 1872 O ILE A 119 15.601 -1.025 -20.452 1.00 20.53 O ATOM 1873 CB ILE A 119 15.154 0.328 -17.927 1.00 34.54 C ATOM 1874 CG1 ILE A 119 14.984 1.412 -16.861 1.00 1.13 C ATOM 1875 CG2 ILE A 119 15.543 -0.996 -17.286 1.00 30.31 C ATOM 1876 CD1 ILE A 119 16.223 1.634 -16.022 1.00 44.23 C ATOM 0 H ILE A 119 14.830 2.235 -19.503 1.00 2.12 H new ATOM 0 HA ILE A 119 17.124 1.043 -18.438 1.00 12.41 H new ATOM 0 HB ILE A 119 14.201 0.196 -18.439 1.00 34.54 H new ATOM 0 HG12 ILE A 119 14.712 2.349 -17.347 1.00 1.13 H new ATOM 0 HG13 ILE A 119 14.156 1.140 -16.207 1.00 1.13 H new ATOM 0 HG21 ILE A 119 14.785 -1.284 -16.557 1.00 30.31 H new ATOM 0 HG22 ILE A 119 15.617 -1.765 -18.055 1.00 30.31 H new ATOM 0 HG23 ILE A 119 16.505 -0.889 -16.786 1.00 30.31 H new ATOM 0 HD11 ILE A 119 16.030 2.416 -15.288 1.00 44.23 H new ATOM 0 HD12 ILE A 119 16.484 0.709 -15.507 1.00 44.23 H new ATOM 0 HD13 ILE A 119 17.049 1.937 -16.666 1.00 44.23 H new ATOM 1888 N ALA A 120 17.792 -0.749 -20.021 1.00 12.12 N ATOM 1889 CA ALA A 120 18.211 -1.858 -20.869 1.00 52.31 C ATOM 1890 C ALA A 120 19.008 -2.886 -20.074 1.00 72.31 C ATOM 1891 O ALA A 120 20.130 -2.618 -19.644 1.00 24.30 O ATOM 1892 CB ALA A 120 19.031 -1.344 -22.043 1.00 3.33 C ATOM 0 H ALA A 120 18.558 -0.260 -19.557 1.00 12.12 H new ATOM 0 HA ALA A 120 17.316 -2.348 -21.252 1.00 52.31 H new ATOM 0 HB1 ALA A 120 19.337 -2.183 -22.668 1.00 3.33 H new ATOM 0 HB2 ALA A 120 18.429 -0.653 -22.633 1.00 3.33 H new ATOM 0 HB3 ALA A 120 19.915 -0.827 -21.671 1.00 3.33 H new