USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 888 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 Single : A 29 SER OG : rot 180:sc= -0.0482 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= -0.0432 (180deg=-0.211) USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.1) USER MOD Single : A 41 MET CE :methyl -150:sc= -1.57! (180deg=-3.91!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -70:sc= -0.138 USER MOD Single : A 54 THR OG1 : rot 48:sc= 0.0748 USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.0336 (180deg=-0.252) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 1.2 (180deg=1.02) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.122) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= -0.0496 (180deg=-0.316) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.998) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= -0.0025 (180deg=-0.151) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.646) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0188) USER MOD Single : A 96 LYS NZ :NH3+ -149:sc= 1.21 (180deg=1.12) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 167:sc= 1.06 (180deg=0.66) USER MOD Single : A 106 THR OG1 : rot 121:sc= 1.33 USER MOD Single : A 107 SER OG : rot 14:sc= 1.13 USER MOD Single : A 112 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.18) USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 0.297 (180deg=0.207) USER MOD Single : A 119 SER OG : rot -90:sc= -1.01! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -4.120 12.632 -2.946 1.00 1.16 N ATOM 2 CA GLY A 22 -5.071 11.501 -2.870 1.00 1.05 C ATOM 3 C GLY A 22 -4.418 10.186 -3.232 1.00 0.87 C ATOM 4 O GLY A 22 -4.914 9.457 -4.092 1.00 0.89 O ATOM 0 HA2 GLY A 22 -5.479 11.438 -1.861 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.909 11.686 -3.542 1.00 1.05 H new ATOM 7 N LEU A 23 -3.306 9.882 -2.579 1.00 0.75 N ATOM 8 CA LEU A 23 -2.600 8.634 -2.814 1.00 0.62 C ATOM 9 C LEU A 23 -2.491 7.837 -1.519 1.00 0.51 C ATOM 10 O LEU A 23 -2.108 8.374 -0.477 1.00 0.59 O ATOM 11 CB LEU A 23 -1.201 8.908 -3.376 1.00 0.75 C ATOM 12 CG LEU A 23 -0.351 7.663 -3.640 1.00 1.22 C ATOM 13 CD1 LEU A 23 -0.954 6.822 -4.755 1.00 1.78 C ATOM 14 CD2 LEU A 23 1.076 8.058 -3.978 1.00 1.91 C ATOM 0 H LEU A 23 -2.873 10.486 -1.880 1.00 0.75 H new ATOM 0 HA LEU A 23 -3.164 8.052 -3.543 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -1.304 9.463 -4.308 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.666 9.553 -2.678 1.00 0.75 H new ATOM 0 HG LEU A 23 -0.337 7.059 -2.732 1.00 1.22 H new ATOM 0 HD11 LEU A 23 -0.332 5.943 -4.924 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -1.958 6.507 -4.471 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -1.004 7.413 -5.670 1.00 1.78 H new ATOM 0 HD21 LEU A 23 1.668 7.161 -4.163 1.00 1.91 H new ATOM 0 HD22 LEU A 23 1.079 8.685 -4.870 1.00 1.91 H new ATOM 0 HD23 LEU A 23 1.507 8.612 -3.144 1.00 1.91 H new ATOM 26 N LEU A 24 -2.846 6.564 -1.590 1.00 0.40 N ATOM 27 CA LEU A 24 -2.743 5.673 -0.449 1.00 0.39 C ATOM 28 C LEU A 24 -1.792 4.537 -0.797 1.00 0.38 C ATOM 29 O LEU A 24 -2.019 3.806 -1.762 1.00 0.50 O ATOM 30 CB LEU A 24 -4.127 5.115 -0.089 1.00 0.44 C ATOM 31 CG LEU A 24 -4.352 4.743 1.386 1.00 0.50 C ATOM 32 CD1 LEU A 24 -3.368 3.687 1.853 1.00 1.02 C ATOM 33 CD2 LEU A 24 -4.265 5.980 2.270 1.00 1.24 C ATOM 0 H LEU A 24 -3.211 6.123 -2.434 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.359 6.220 0.412 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.877 5.853 -0.373 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.306 4.228 -0.696 1.00 0.44 H new ATOM 0 HG LEU A 24 -5.354 4.322 1.469 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -3.558 3.450 2.900 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -3.487 2.787 1.250 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -2.351 4.064 1.745 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -4.427 5.696 3.310 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -3.279 6.432 2.167 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.027 6.698 1.967 1.00 1.24 H new ATOM 45 N VAL A 25 -0.730 4.395 -0.024 1.00 0.37 N ATOM 46 CA VAL A 25 0.265 3.373 -0.293 1.00 0.40 C ATOM 47 C VAL A 25 0.138 2.216 0.691 1.00 0.42 C ATOM 48 O VAL A 25 0.536 2.320 1.844 1.00 0.56 O ATOM 49 CB VAL A 25 1.697 3.943 -0.218 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.718 2.883 -0.605 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.837 5.170 -1.106 1.00 0.84 C ATOM 0 H VAL A 25 -0.535 4.973 0.793 1.00 0.37 H new ATOM 0 HA VAL A 25 0.082 3.011 -1.305 1.00 0.40 H new ATOM 0 HB VAL A 25 1.889 4.244 0.812 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.721 3.305 -0.546 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.640 2.036 0.077 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.525 2.547 -1.624 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.855 5.555 -1.037 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.621 4.898 -2.139 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.136 5.938 -0.779 1.00 0.84 H new ATOM 61 N LEU A 26 -0.435 1.120 0.238 1.00 0.46 N ATOM 62 CA LEU A 26 -0.492 -0.090 1.044 1.00 0.57 C ATOM 63 C LEU A 26 0.747 -0.921 0.765 1.00 0.51 C ATOM 64 O LEU A 26 1.225 -0.950 -0.364 1.00 0.58 O ATOM 65 CB LEU A 26 -1.747 -0.904 0.716 1.00 0.75 C ATOM 66 CG LEU A 26 -3.078 -0.195 0.956 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.231 -1.088 0.529 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.224 0.189 2.417 1.00 1.00 C ATOM 0 H LEU A 26 -0.868 1.038 -0.682 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.532 0.184 2.098 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -1.700 -1.204 -0.331 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -1.731 -1.818 1.310 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.097 0.716 0.358 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.175 -0.572 0.705 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.137 -1.321 -0.532 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.209 -2.012 1.107 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.179 0.693 2.567 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.186 -0.708 3.035 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.412 0.859 2.700 1.00 1.00 H new ATOM 80 N ILE A 27 1.291 -1.566 1.776 1.00 0.50 N ATOM 81 CA ILE A 27 2.454 -2.415 1.574 1.00 0.49 C ATOM 82 C ILE A 27 2.502 -3.546 2.597 1.00 0.51 C ATOM 83 O ILE A 27 2.879 -3.344 3.751 1.00 0.72 O ATOM 84 CB ILE A 27 3.776 -1.597 1.599 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.989 -2.537 1.552 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.838 -0.683 2.819 1.00 1.00 C ATOM 87 CD1 ILE A 27 6.319 -1.817 1.500 1.00 0.96 C ATOM 0 H ILE A 27 0.953 -1.522 2.738 1.00 0.50 H new ATOM 0 HA ILE A 27 2.356 -2.858 0.583 1.00 0.49 H new ATOM 0 HB ILE A 27 3.799 -0.962 0.713 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.970 -3.183 2.430 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.902 -3.183 0.679 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.774 -0.124 2.808 1.00 1.00 H new ATOM 0 HG22 ILE A 27 3.000 0.013 2.795 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.785 -1.284 3.727 1.00 1.00 H new ATOM 0 HD11 ILE A 27 7.127 -2.548 1.469 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.360 -1.192 0.608 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.429 -1.192 2.386 1.00 0.96 H new ATOM 99 N TRP A 28 2.109 -4.739 2.178 1.00 0.45 N ATOM 100 CA TRP A 28 2.213 -5.892 3.052 1.00 0.48 C ATOM 101 C TRP A 28 3.472 -6.674 2.716 1.00 0.48 C ATOM 102 O TRP A 28 3.522 -7.425 1.743 1.00 0.49 O ATOM 103 CB TRP A 28 0.981 -6.799 2.946 1.00 0.56 C ATOM 104 CG TRP A 28 0.993 -7.916 3.952 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.496 -7.872 5.222 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.542 -9.233 3.783 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.700 -9.075 5.852 1.00 2.09 N ATOM 108 CE2 TRP A 28 1.339 -9.926 4.991 1.00 1.83 C ATOM 109 CE3 TRP A 28 2.183 -9.893 2.730 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.756 -11.242 5.172 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.596 -11.197 2.912 1.00 1.61 C ATOM 112 CH2 TRP A 28 2.382 -11.859 4.125 1.00 2.06 C ATOM 0 H TRP A 28 1.722 -4.931 1.254 1.00 0.45 H new ATOM 0 HA TRP A 28 2.267 -5.534 4.080 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.081 -6.200 3.085 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.931 -7.221 1.942 1.00 0.56 H new ATOM 0 HD1 TRP A 28 0.012 -7.015 5.667 1.00 1.53 H new ATOM 0 HE1 TRP A 28 0.421 -9.298 6.807 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.352 -9.390 1.789 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 1.591 -11.757 6.107 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.093 -11.715 2.105 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.718 -12.879 4.237 1.00 2.06 H new ATOM 123 N SER A 29 4.510 -6.419 3.482 1.00 0.50 N ATOM 124 CA SER A 29 5.729 -7.201 3.431 1.00 0.54 C ATOM 125 C SER A 29 6.293 -7.298 4.837 1.00 0.60 C ATOM 126 O SER A 29 6.725 -6.284 5.382 1.00 0.87 O ATOM 127 CB SER A 29 6.742 -6.534 2.498 1.00 0.57 C ATOM 128 OG SER A 29 6.147 -6.217 1.251 1.00 1.29 O ATOM 0 H SER A 29 4.534 -5.659 4.162 1.00 0.50 H new ATOM 0 HA SER A 29 5.518 -8.199 3.046 1.00 0.54 H new ATOM 0 HB2 SER A 29 7.128 -5.627 2.963 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.592 -7.199 2.342 1.00 0.57 H new ATOM 0 HG SER A 29 6.811 -5.790 0.671 1.00 1.29 H new ATOM 134 N ASN A 30 6.276 -8.474 5.450 1.00 0.65 N ATOM 135 CA ASN A 30 6.783 -8.580 6.812 1.00 0.69 C ATOM 136 C ASN A 30 8.302 -8.600 6.811 1.00 0.68 C ATOM 137 O ASN A 30 8.935 -9.633 7.033 1.00 0.75 O ATOM 138 CB ASN A 30 6.239 -9.829 7.514 1.00 0.81 C ATOM 139 CG ASN A 30 4.807 -9.656 7.982 1.00 1.55 C ATOM 140 OD1 ASN A 30 3.859 -9.973 7.264 1.00 2.33 O ATOM 141 ND2 ASN A 30 4.636 -9.146 9.191 1.00 2.23 N ATOM 0 H ASN A 30 5.929 -9.342 5.043 1.00 0.65 H new ATOM 0 HA ASN A 30 6.439 -7.706 7.365 1.00 0.69 H new ATOM 0 HB2 ASN A 30 6.295 -10.678 6.833 1.00 0.81 H new ATOM 0 HB3 ASN A 30 6.871 -10.065 8.370 1.00 0.81 H new ATOM 0 HD21 ASN A 30 3.694 -9.004 9.556 1.00 2.23 H new ATOM 0 HD22 ASN A 30 5.446 -8.895 9.758 1.00 2.23 H new ATOM 148 N ASP A 31 8.873 -7.439 6.541 1.00 0.63 N ATOM 149 CA ASP A 31 10.302 -7.237 6.628 1.00 0.64 C ATOM 150 C ASP A 31 10.606 -6.208 7.704 1.00 0.65 C ATOM 151 O ASP A 31 9.750 -5.398 8.050 1.00 0.78 O ATOM 152 CB ASP A 31 10.861 -6.787 5.280 1.00 0.67 C ATOM 153 CG ASP A 31 12.373 -6.846 5.237 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.021 -5.802 5.439 1.00 1.45 O ATOM 155 OD2 ASP A 31 12.918 -7.942 5.006 1.00 1.13 O ATOM 0 H ASP A 31 8.353 -6.609 6.255 1.00 0.63 H new ATOM 0 HA ASP A 31 10.780 -8.180 6.894 1.00 0.64 H new ATOM 0 HB2 ASP A 31 10.452 -7.418 4.491 1.00 0.67 H new ATOM 0 HB3 ASP A 31 10.533 -5.768 5.075 1.00 0.67 H new ATOM 160 N LYS A 32 11.813 -6.227 8.223 1.00 0.69 N ATOM 161 CA LYS A 32 12.218 -5.259 9.229 1.00 0.77 C ATOM 162 C LYS A 32 12.619 -3.944 8.562 1.00 0.71 C ATOM 163 O LYS A 32 12.129 -2.870 8.924 1.00 0.77 O ATOM 164 CB LYS A 32 13.374 -5.806 10.079 1.00 0.97 C ATOM 165 CG LYS A 32 13.000 -7.008 10.944 1.00 1.52 C ATOM 166 CD LYS A 32 13.729 -8.283 10.518 1.00 2.06 C ATOM 167 CE LYS A 32 13.233 -8.801 9.177 1.00 2.28 C ATOM 168 NZ LYS A 32 13.946 -10.029 8.746 1.00 3.05 N ATOM 0 H LYS A 32 12.535 -6.901 7.968 1.00 0.69 H new ATOM 0 HA LYS A 32 11.371 -5.073 9.890 1.00 0.77 H new ATOM 0 HB2 LYS A 32 14.194 -6.089 9.419 1.00 0.97 H new ATOM 0 HB3 LYS A 32 13.745 -5.009 10.724 1.00 0.97 H new ATOM 0 HG2 LYS A 32 13.235 -6.789 11.986 1.00 1.52 H new ATOM 0 HG3 LYS A 32 11.924 -7.172 10.887 1.00 1.52 H new ATOM 0 HD2 LYS A 32 14.799 -8.086 10.457 1.00 2.06 H new ATOM 0 HD3 LYS A 32 13.589 -9.052 11.278 1.00 2.06 H new ATOM 0 HE2 LYS A 32 12.165 -9.009 9.243 1.00 2.28 H new ATOM 0 HE3 LYS A 32 13.361 -8.026 8.421 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 13.573 -10.343 7.827 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 14.962 -9.827 8.656 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 13.804 -10.779 9.452 1.00 3.05 H new ATOM 182 N LYS A 33 13.475 -4.040 7.556 1.00 0.71 N ATOM 183 CA LYS A 33 14.043 -2.862 6.919 1.00 0.75 C ATOM 184 C LYS A 33 13.124 -2.307 5.840 1.00 0.64 C ATOM 185 O LYS A 33 12.958 -1.092 5.735 1.00 0.63 O ATOM 186 CB LYS A 33 15.403 -3.194 6.310 1.00 0.94 C ATOM 187 CG LYS A 33 16.432 -3.651 7.330 1.00 1.55 C ATOM 188 CD LYS A 33 17.755 -4.002 6.673 1.00 2.09 C ATOM 189 CE LYS A 33 18.389 -2.794 6.001 1.00 2.72 C ATOM 190 NZ LYS A 33 18.680 -1.702 6.971 1.00 3.16 N ATOM 0 H LYS A 33 13.793 -4.926 7.162 1.00 0.71 H new ATOM 0 HA LYS A 33 14.162 -2.100 7.689 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.275 -3.975 5.561 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.784 -2.314 5.791 1.00 0.94 H new ATOM 0 HG2 LYS A 33 16.589 -2.863 8.067 1.00 1.55 H new ATOM 0 HG3 LYS A 33 16.051 -4.519 7.868 1.00 1.55 H new ATOM 0 HD2 LYS A 33 18.438 -4.402 7.422 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.597 -4.788 5.934 1.00 2.09 H new ATOM 0 HE2 LYS A 33 19.313 -3.097 5.509 1.00 2.72 H new ATOM 0 HE3 LYS A 33 17.722 -2.420 5.224 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 19.274 -0.981 6.514 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 17.788 -1.268 7.283 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 19.181 -2.093 7.794 1.00 3.16 H new ATOM 204 N LEU A 34 12.539 -3.198 5.044 1.00 0.62 N ATOM 205 CA LEU A 34 11.696 -2.804 3.915 1.00 0.61 C ATOM 206 C LEU A 34 10.584 -1.863 4.380 1.00 0.54 C ATOM 207 O LEU A 34 10.430 -0.765 3.846 1.00 0.61 O ATOM 208 CB LEU A 34 11.090 -4.053 3.247 1.00 0.66 C ATOM 209 CG LEU A 34 10.860 -3.994 1.721 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.161 -5.260 1.248 1.00 1.22 C ATOM 211 CD2 LEU A 34 10.048 -2.770 1.328 1.00 1.59 C ATOM 0 H LEU A 34 12.634 -4.207 5.161 1.00 0.62 H new ATOM 0 HA LEU A 34 12.313 -2.277 3.187 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.743 -4.900 3.458 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.133 -4.262 3.725 1.00 0.66 H new ATOM 0 HG LEU A 34 11.834 -3.919 1.238 1.00 0.80 H new ATOM 0 HD11 LEU A 34 10.004 -5.208 0.171 1.00 1.22 H new ATOM 0 HD12 LEU A 34 10.779 -6.126 1.483 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.199 -5.354 1.751 1.00 1.22 H new ATOM 0 HD21 LEU A 34 9.905 -2.760 0.247 1.00 1.59 H new ATOM 0 HD22 LEU A 34 9.077 -2.803 1.822 1.00 1.59 H new ATOM 0 HD23 LEU A 34 10.579 -1.868 1.632 1.00 1.59 H new ATOM 223 N ILE A 35 9.828 -2.293 5.390 1.00 0.48 N ATOM 224 CA ILE A 35 8.741 -1.480 5.935 1.00 0.49 C ATOM 225 C ILE A 35 9.262 -0.126 6.398 1.00 0.48 C ATOM 226 O ILE A 35 8.737 0.917 6.015 1.00 0.53 O ATOM 227 CB ILE A 35 8.046 -2.173 7.128 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.449 -3.513 6.701 1.00 0.61 C ATOM 229 CG2 ILE A 35 6.960 -1.275 7.711 1.00 0.64 C ATOM 230 CD1 ILE A 35 6.819 -4.281 7.843 1.00 1.01 C ATOM 0 H ILE A 35 9.948 -3.197 5.846 1.00 0.48 H new ATOM 0 HA ILE A 35 8.016 -1.348 5.132 1.00 0.49 H new ATOM 0 HB ILE A 35 8.796 -2.357 7.897 1.00 0.55 H new ATOM 0 HG12 ILE A 35 6.697 -3.339 5.931 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.231 -4.124 6.250 1.00 0.61 H new ATOM 0 HG21 ILE A 35 6.482 -1.780 8.550 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.406 -0.342 8.055 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.215 -1.060 6.945 1.00 0.64 H new ATOM 0 HD11 ILE A 35 6.415 -5.222 7.470 1.00 1.01 H new ATOM 0 HD12 ILE A 35 7.573 -4.486 8.603 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.015 -3.689 8.280 1.00 1.01 H new ATOM 242 N GLU A 36 10.314 -0.159 7.207 1.00 0.50 N ATOM 243 CA GLU A 36 10.895 1.054 7.767 1.00 0.53 C ATOM 244 C GLU A 36 11.345 2.017 6.667 1.00 0.48 C ATOM 245 O GLU A 36 11.110 3.221 6.750 1.00 0.51 O ATOM 246 CB GLU A 36 12.077 0.689 8.663 1.00 0.66 C ATOM 247 CG GLU A 36 12.765 1.889 9.282 1.00 1.22 C ATOM 248 CD GLU A 36 14.009 1.502 10.043 1.00 1.73 C ATOM 249 OE1 GLU A 36 14.978 1.043 9.405 1.00 2.62 O ATOM 250 OE2 GLU A 36 14.031 1.667 11.279 1.00 2.01 O ATOM 0 H GLU A 36 10.784 -1.018 7.491 1.00 0.50 H new ATOM 0 HA GLU A 36 10.131 1.559 8.357 1.00 0.53 H new ATOM 0 HB2 GLU A 36 11.729 0.030 9.459 1.00 0.66 H new ATOM 0 HB3 GLU A 36 12.804 0.126 8.078 1.00 0.66 H new ATOM 0 HG2 GLU A 36 13.027 2.600 8.498 1.00 1.22 H new ATOM 0 HG3 GLU A 36 12.073 2.396 9.954 1.00 1.22 H new ATOM 257 N GLU A 37 11.980 1.477 5.636 1.00 0.48 N ATOM 258 CA GLU A 37 12.501 2.277 4.548 1.00 0.51 C ATOM 259 C GLU A 37 11.362 2.859 3.712 1.00 0.44 C ATOM 260 O GLU A 37 11.425 4.007 3.268 1.00 0.48 O ATOM 261 CB GLU A 37 13.416 1.412 3.691 1.00 0.65 C ATOM 262 CG GLU A 37 14.150 2.181 2.619 1.00 0.80 C ATOM 263 CD GLU A 37 15.107 3.214 3.184 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.009 4.399 2.802 1.00 1.61 O ATOM 265 OE2 GLU A 37 15.964 2.846 4.020 1.00 1.55 O ATOM 0 H GLU A 37 12.146 0.476 5.535 1.00 0.48 H new ATOM 0 HA GLU A 37 13.071 3.113 4.953 1.00 0.51 H new ATOM 0 HB2 GLU A 37 14.144 0.920 4.336 1.00 0.65 H new ATOM 0 HB3 GLU A 37 12.824 0.627 3.221 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.705 1.482 1.993 1.00 0.80 H new ATOM 0 HG3 GLU A 37 13.425 2.679 1.975 1.00 0.80 H new ATOM 272 N ALA A 38 10.316 2.065 3.510 1.00 0.40 N ATOM 273 CA ALA A 38 9.137 2.521 2.783 1.00 0.42 C ATOM 274 C ALA A 38 8.437 3.643 3.543 1.00 0.39 C ATOM 275 O ALA A 38 7.917 4.586 2.943 1.00 0.42 O ATOM 276 CB ALA A 38 8.181 1.363 2.543 1.00 0.50 C ATOM 0 H ALA A 38 10.261 1.101 3.840 1.00 0.40 H new ATOM 0 HA ALA A 38 9.458 2.911 1.817 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.306 1.720 1.999 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.683 0.592 1.958 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.868 0.945 3.500 1.00 0.50 H new ATOM 282 N ARG A 39 8.441 3.534 4.871 1.00 0.41 N ATOM 283 CA ARG A 39 7.854 4.557 5.730 1.00 0.50 C ATOM 284 C ARG A 39 8.548 5.896 5.522 1.00 0.46 C ATOM 285 O ARG A 39 7.895 6.933 5.465 1.00 0.52 O ATOM 286 CB ARG A 39 7.937 4.145 7.205 1.00 0.62 C ATOM 287 CG ARG A 39 7.066 2.950 7.556 1.00 1.18 C ATOM 288 CD ARG A 39 7.271 2.499 8.993 1.00 1.43 C ATOM 289 NE ARG A 39 6.816 3.496 9.961 1.00 1.88 N ATOM 290 CZ ARG A 39 6.837 3.309 11.281 1.00 2.58 C ATOM 291 NH1 ARG A 39 7.299 2.172 11.790 1.00 2.84 N ATOM 292 NH2 ARG A 39 6.400 4.260 12.094 1.00 3.48 N ATOM 0 H ARG A 39 8.846 2.745 5.375 1.00 0.41 H new ATOM 0 HA ARG A 39 6.804 4.661 5.458 1.00 0.50 H new ATOM 0 HB2 ARG A 39 8.973 3.912 7.450 1.00 0.62 H new ATOM 0 HB3 ARG A 39 7.645 4.991 7.826 1.00 0.62 H new ATOM 0 HG2 ARG A 39 6.018 3.208 7.403 1.00 1.18 H new ATOM 0 HG3 ARG A 39 7.293 2.125 6.881 1.00 1.18 H new ATOM 0 HD2 ARG A 39 6.734 1.565 9.158 1.00 1.43 H new ATOM 0 HD3 ARG A 39 8.328 2.292 9.159 1.00 1.43 H new ATOM 0 HE ARG A 39 6.463 4.385 9.606 1.00 1.88 H new ATOM 0 HH11 ARG A 39 7.640 1.437 11.170 1.00 2.84 H new ATOM 0 HH12 ARG A 39 7.313 2.034 12.801 1.00 2.84 H new ATOM 0 HH21 ARG A 39 6.047 5.137 11.710 1.00 3.48 H new ATOM 0 HH22 ARG A 39 6.417 4.115 13.104 1.00 3.48 H new ATOM 306 N LYS A 40 9.870 5.860 5.385 1.00 0.45 N ATOM 307 CA LYS A 40 10.659 7.070 5.167 1.00 0.49 C ATOM 308 C LYS A 40 10.206 7.784 3.897 1.00 0.42 C ATOM 309 O LYS A 40 9.968 8.994 3.895 1.00 0.47 O ATOM 310 CB LYS A 40 12.142 6.723 5.032 1.00 0.62 C ATOM 311 CG LYS A 40 12.700 5.884 6.167 1.00 1.06 C ATOM 312 CD LYS A 40 14.134 5.474 5.877 1.00 1.58 C ATOM 313 CE LYS A 40 14.636 4.429 6.856 1.00 2.12 C ATOM 314 NZ LYS A 40 15.995 3.951 6.492 1.00 2.95 N ATOM 0 H LYS A 40 10.420 5.002 5.421 1.00 0.45 H new ATOM 0 HA LYS A 40 10.511 7.724 6.026 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.293 6.188 4.094 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.714 7.649 4.967 1.00 0.62 H new ATOM 0 HG2 LYS A 40 12.659 6.450 7.098 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.084 4.996 6.306 1.00 1.06 H new ATOM 0 HD2 LYS A 40 14.201 5.082 4.862 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.778 6.352 5.922 1.00 1.58 H new ATOM 0 HE2 LYS A 40 14.654 4.850 7.861 1.00 2.12 H new ATOM 0 HE3 LYS A 40 13.946 3.586 6.876 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 16.160 3.017 6.918 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 16.072 3.878 5.457 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 16.706 4.623 6.845 1.00 2.95 H new ATOM 328 N MET A 41 10.082 7.014 2.821 1.00 0.39 N ATOM 329 CA MET A 41 9.735 7.560 1.513 1.00 0.41 C ATOM 330 C MET A 41 8.319 8.128 1.517 1.00 0.42 C ATOM 331 O MET A 41 8.061 9.185 0.939 1.00 0.52 O ATOM 332 CB MET A 41 9.870 6.474 0.440 1.00 0.48 C ATOM 333 CG MET A 41 9.681 6.965 -0.993 1.00 0.69 C ATOM 334 SD MET A 41 11.177 7.675 -1.727 1.00 1.10 S ATOM 335 CE MET A 41 11.345 9.220 -0.833 1.00 1.55 C ATOM 0 H MET A 41 10.218 6.003 2.829 1.00 0.39 H new ATOM 0 HA MET A 41 10.424 8.373 1.285 1.00 0.41 H new ATOM 0 HB2 MET A 41 10.856 6.018 0.526 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.138 5.691 0.641 1.00 0.48 H new ATOM 0 HG2 MET A 41 9.345 6.132 -1.611 1.00 0.69 H new ATOM 0 HG3 MET A 41 8.889 7.714 -1.009 1.00 0.69 H new ATOM 0 HE1 MET A 41 11.827 9.960 -1.472 1.00 1.55 H new ATOM 0 HE2 MET A 41 10.359 9.580 -0.541 1.00 1.55 H new ATOM 0 HE3 MET A 41 11.952 9.061 0.058 1.00 1.55 H new ATOM 345 N ALA A 42 7.407 7.429 2.180 1.00 0.40 N ATOM 346 CA ALA A 42 6.024 7.870 2.268 1.00 0.49 C ATOM 347 C ALA A 42 5.901 9.094 3.168 1.00 0.51 C ATOM 348 O ALA A 42 5.179 10.037 2.850 1.00 0.59 O ATOM 349 CB ALA A 42 5.143 6.741 2.782 1.00 0.58 C ATOM 0 H ALA A 42 7.602 6.553 2.665 1.00 0.40 H new ATOM 0 HA ALA A 42 5.689 8.149 1.269 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.110 7.084 2.843 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.204 5.893 2.100 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.483 6.436 3.772 1.00 0.58 H new ATOM 355 N GLU A 43 6.626 9.075 4.280 1.00 0.50 N ATOM 356 CA GLU A 43 6.596 10.163 5.253 1.00 0.60 C ATOM 357 C GLU A 43 7.084 11.471 4.634 1.00 0.62 C ATOM 358 O GLU A 43 6.465 12.523 4.811 1.00 0.73 O ATOM 359 CB GLU A 43 7.467 9.797 6.456 1.00 0.67 C ATOM 360 CG GLU A 43 7.538 10.871 7.525 1.00 0.97 C ATOM 361 CD GLU A 43 8.479 10.493 8.645 1.00 1.62 C ATOM 362 OE1 GLU A 43 7.999 10.021 9.699 1.00 2.16 O ATOM 363 OE2 GLU A 43 9.707 10.654 8.477 1.00 2.38 O ATOM 0 H GLU A 43 7.249 8.308 4.533 1.00 0.50 H new ATOM 0 HA GLU A 43 5.565 10.308 5.576 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.082 8.881 6.903 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.477 9.581 6.107 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.867 11.808 7.076 1.00 0.97 H new ATOM 0 HG3 GLU A 43 6.542 11.044 7.932 1.00 0.97 H new ATOM 370 N LYS A 44 8.186 11.394 3.899 1.00 0.58 N ATOM 371 CA LYS A 44 8.770 12.570 3.259 1.00 0.66 C ATOM 372 C LYS A 44 7.822 13.151 2.211 1.00 0.66 C ATOM 373 O LYS A 44 7.817 14.358 1.957 1.00 0.70 O ATOM 374 CB LYS A 44 10.113 12.206 2.621 1.00 0.76 C ATOM 375 CG LYS A 44 10.830 13.386 1.979 1.00 1.29 C ATOM 376 CD LYS A 44 12.173 12.976 1.392 1.00 1.69 C ATOM 377 CE LYS A 44 13.159 12.562 2.474 1.00 2.09 C ATOM 378 NZ LYS A 44 14.427 12.041 1.902 1.00 2.20 N ATOM 0 H LYS A 44 8.696 10.527 3.730 1.00 0.58 H new ATOM 0 HA LYS A 44 8.934 13.331 4.022 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.760 11.771 3.383 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.949 11.438 1.865 1.00 0.76 H new ATOM 0 HG2 LYS A 44 10.204 13.809 1.194 1.00 1.29 H new ATOM 0 HG3 LYS A 44 10.981 14.168 2.723 1.00 1.29 H new ATOM 0 HD2 LYS A 44 12.029 12.150 0.696 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.588 13.806 0.820 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.375 13.417 3.114 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.705 11.798 3.105 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 15.070 11.770 2.673 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 14.225 11.209 1.311 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 14.874 12.778 1.321 1.00 2.20 H new ATOM 392 N ALA A 45 7.009 12.290 1.617 1.00 0.67 N ATOM 393 CA ALA A 45 6.058 12.717 0.603 1.00 0.74 C ATOM 394 C ALA A 45 4.695 13.012 1.224 1.00 0.73 C ATOM 395 O ALA A 45 3.734 13.323 0.520 1.00 0.81 O ATOM 396 CB ALA A 45 5.939 11.660 -0.482 1.00 0.82 C ATOM 0 H ALA A 45 6.989 11.291 1.820 1.00 0.67 H new ATOM 0 HA ALA A 45 6.425 13.639 0.152 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.224 11.991 -1.235 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.912 11.506 -0.948 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.595 10.724 -0.042 1.00 0.82 H new ATOM 402 N ASN A 46 4.632 12.914 2.552 1.00 0.69 N ATOM 403 CA ASN A 46 3.409 13.178 3.315 1.00 0.72 C ATOM 404 C ASN A 46 2.272 12.250 2.906 1.00 0.67 C ATOM 405 O ASN A 46 1.109 12.653 2.869 1.00 0.84 O ATOM 406 CB ASN A 46 2.977 14.643 3.180 1.00 0.87 C ATOM 407 CG ASN A 46 3.825 15.579 4.019 1.00 1.46 C ATOM 408 OD1 ASN A 46 3.536 15.806 5.194 1.00 2.13 O ATOM 409 ND2 ASN A 46 4.868 16.137 3.425 1.00 2.13 N ATOM 0 H ASN A 46 5.428 12.649 3.131 1.00 0.69 H new ATOM 0 HA ASN A 46 3.640 12.980 4.362 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.039 14.942 2.134 1.00 0.87 H new ATOM 0 HB3 ASN A 46 1.933 14.739 3.477 1.00 0.87 H new ATOM 0 HD21 ASN A 46 5.466 16.781 3.943 1.00 2.13 H new ATOM 0 HD22 ASN A 46 5.074 15.923 2.449 1.00 2.13 H new ATOM 416 N LEU A 47 2.616 11.006 2.614 1.00 0.51 N ATOM 417 CA LEU A 47 1.628 10.001 2.250 1.00 0.51 C ATOM 418 C LEU A 47 1.307 9.137 3.462 1.00 0.46 C ATOM 419 O LEU A 47 1.908 9.296 4.525 1.00 0.56 O ATOM 420 CB LEU A 47 2.158 9.106 1.122 1.00 0.58 C ATOM 421 CG LEU A 47 2.796 9.820 -0.083 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.381 8.804 -1.052 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.791 10.711 -0.808 1.00 1.18 C ATOM 0 H LEU A 47 3.578 10.666 2.622 1.00 0.51 H new ATOM 0 HA LEU A 47 0.728 10.510 1.906 1.00 0.51 H new ATOM 0 HB2 LEU A 47 2.897 8.426 1.546 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.333 8.493 0.757 1.00 0.58 H new ATOM 0 HG LEU A 47 3.595 10.456 0.299 1.00 0.69 H new ATOM 0 HD11 LEU A 47 3.828 9.325 -1.899 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.144 8.214 -0.544 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.590 8.144 -1.409 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.279 11.198 -1.652 1.00 1.18 H new ATOM 0 HD22 LEU A 47 0.961 10.104 -1.169 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.414 11.469 -0.121 1.00 1.18 H new ATOM 435 N TYR A 48 0.361 8.226 3.297 1.00 0.49 N ATOM 436 CA TYR A 48 0.012 7.284 4.350 1.00 0.54 C ATOM 437 C TYR A 48 0.207 5.863 3.850 1.00 0.46 C ATOM 438 O TYR A 48 -0.079 5.568 2.688 1.00 0.58 O ATOM 439 CB TYR A 48 -1.435 7.489 4.808 1.00 0.64 C ATOM 440 CG TYR A 48 -1.691 8.853 5.406 1.00 0.77 C ATOM 441 CD1 TYR A 48 -1.368 9.119 6.729 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.251 9.872 4.647 1.00 1.31 C ATOM 443 CE1 TYR A 48 -1.598 10.363 7.281 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.483 11.120 5.193 1.00 1.43 C ATOM 445 CZ TYR A 48 -2.154 11.359 6.509 1.00 1.09 C ATOM 446 OH TYR A 48 -2.385 12.599 7.056 1.00 1.28 O ATOM 0 H TYR A 48 -0.181 8.118 2.440 1.00 0.49 H new ATOM 0 HA TYR A 48 0.666 7.459 5.204 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.101 7.343 3.957 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.686 6.725 5.544 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -0.930 8.341 7.336 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.509 9.686 3.615 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -1.343 10.554 8.313 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -2.920 11.903 4.591 1.00 1.43 H new ATOM 0 HH TYR A 48 -2.780 13.187 6.379 1.00 1.28 H new ATOM 456 N LEU A 49 0.685 4.986 4.722 1.00 0.46 N ATOM 457 CA LEU A 49 0.976 3.616 4.327 1.00 0.46 C ATOM 458 C LEU A 49 0.526 2.637 5.402 1.00 0.50 C ATOM 459 O LEU A 49 0.534 2.957 6.595 1.00 0.61 O ATOM 460 CB LEU A 49 2.478 3.419 4.017 1.00 0.66 C ATOM 461 CG LEU A 49 3.425 3.335 5.223 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.720 2.656 4.810 1.00 1.76 C ATOM 463 CD2 LEU A 49 3.726 4.714 5.794 1.00 1.35 C ATOM 0 H LEU A 49 0.878 5.197 5.701 1.00 0.46 H new ATOM 0 HA LEU A 49 0.417 3.415 3.413 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.588 2.505 3.433 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.806 4.243 3.383 1.00 0.66 H new ATOM 0 HG LEU A 49 2.932 2.750 6.000 1.00 0.81 H new ATOM 0 HD11 LEU A 49 5.390 2.598 5.668 1.00 1.76 H new ATOM 0 HD12 LEU A 49 4.504 1.650 4.449 1.00 1.76 H new ATOM 0 HD13 LEU A 49 5.196 3.232 4.016 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.399 4.616 6.646 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.197 5.330 5.028 1.00 1.35 H new ATOM 0 HD23 LEU A 49 2.797 5.185 6.117 1.00 1.35 H new ATOM 475 N LEU A 50 0.116 1.454 4.966 1.00 0.52 N ATOM 476 CA LEU A 50 -0.401 0.432 5.866 1.00 0.63 C ATOM 477 C LEU A 50 0.344 -0.880 5.681 1.00 0.69 C ATOM 478 O LEU A 50 0.664 -1.272 4.555 1.00 0.69 O ATOM 479 CB LEU A 50 -1.891 0.189 5.626 1.00 0.77 C ATOM 480 CG LEU A 50 -2.852 1.257 6.162 1.00 0.81 C ATOM 481 CD1 LEU A 50 -2.754 2.548 5.368 1.00 1.24 C ATOM 482 CD2 LEU A 50 -4.273 0.733 6.139 1.00 1.48 C ATOM 0 H LEU A 50 0.132 1.176 3.985 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.254 0.796 6.883 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.053 0.092 4.552 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.158 -0.767 6.076 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.566 1.480 7.190 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.450 3.281 5.777 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -1.738 2.938 5.431 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -3.004 2.354 4.325 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -4.949 1.498 6.521 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.551 0.481 5.116 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -4.343 -0.158 6.763 1.00 1.48 H new ATOM 494 N THR A 51 0.636 -1.535 6.792 1.00 0.85 N ATOM 495 CA THR A 51 1.232 -2.859 6.776 1.00 1.00 C ATOM 496 C THR A 51 0.627 -3.709 7.888 1.00 1.38 C ATOM 497 O THR A 51 0.997 -3.562 9.058 1.00 2.04 O ATOM 498 CB THR A 51 2.762 -2.797 6.966 1.00 1.42 C ATOM 499 OG1 THR A 51 3.344 -1.863 6.042 1.00 1.86 O ATOM 500 CG2 THR A 51 3.388 -4.170 6.763 1.00 2.07 C ATOM 0 H THR A 51 0.467 -1.165 7.727 1.00 0.85 H new ATOM 0 HA THR A 51 1.024 -3.304 5.803 1.00 1.00 H new ATOM 0 HB THR A 51 2.961 -2.466 7.985 1.00 1.42 H new ATOM 0 HG1 THR A 51 3.292 -2.226 5.133 1.00 1.86 H new ATOM 0 HG21 THR A 51 4.467 -4.102 6.902 1.00 2.07 H new ATOM 0 HG22 THR A 51 2.972 -4.870 7.488 1.00 2.07 H new ATOM 0 HG23 THR A 51 3.173 -4.522 5.754 1.00 2.07 H new ATOM 508 N LEU A 52 -0.310 -4.578 7.534 1.00 1.17 N ATOM 509 CA LEU A 52 -0.948 -5.448 8.513 1.00 1.66 C ATOM 510 C LEU A 52 -1.830 -6.475 7.817 1.00 1.10 C ATOM 511 O LEU A 52 -1.897 -6.501 6.592 1.00 1.25 O ATOM 512 CB LEU A 52 -1.738 -4.651 9.586 1.00 2.63 C ATOM 513 CG LEU A 52 -3.115 -4.084 9.204 1.00 2.95 C ATOM 514 CD1 LEU A 52 -3.918 -3.832 10.468 1.00 3.41 C ATOM 515 CD2 LEU A 52 -3.005 -2.780 8.421 1.00 3.43 C ATOM 0 H LEU A 52 -0.645 -4.699 6.578 1.00 1.17 H new ATOM 0 HA LEU A 52 -0.158 -5.978 9.045 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.874 -5.301 10.450 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -1.113 -3.818 9.909 1.00 2.63 H new ATOM 0 HG LEU A 52 -3.609 -4.817 8.566 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -4.896 -3.430 10.204 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -4.046 -4.769 11.011 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.390 -3.117 11.098 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -4.003 -2.419 8.174 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -2.489 -2.035 9.026 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -2.444 -2.953 7.502 1.00 3.43 H new ATOM 527 N GLU A 53 -2.485 -7.330 8.586 1.00 1.35 N ATOM 528 CA GLU A 53 -3.281 -8.406 8.006 1.00 1.60 C ATOM 529 C GLU A 53 -4.630 -7.875 7.506 1.00 1.84 C ATOM 530 O GLU A 53 -5.033 -8.150 6.374 1.00 2.34 O ATOM 531 CB GLU A 53 -3.465 -9.570 9.023 1.00 2.04 C ATOM 532 CG GLU A 53 -4.372 -9.266 10.214 1.00 2.24 C ATOM 533 CD GLU A 53 -3.909 -8.079 11.033 1.00 2.43 C ATOM 534 OE1 GLU A 53 -2.892 -8.198 11.750 1.00 2.97 O ATOM 535 OE2 GLU A 53 -4.555 -7.017 10.950 1.00 2.75 O ATOM 0 H GLU A 53 -2.483 -7.303 9.606 1.00 1.35 H new ATOM 0 HA GLU A 53 -2.744 -8.805 7.145 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -3.868 -10.432 8.492 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -2.484 -9.858 9.400 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -5.383 -9.077 9.853 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -4.422 -10.145 10.857 1.00 2.24 H new ATOM 542 N THR A 54 -5.332 -7.136 8.350 1.00 1.76 N ATOM 543 CA THR A 54 -6.583 -6.522 7.951 1.00 1.96 C ATOM 544 C THR A 54 -6.456 -5.003 7.909 1.00 1.44 C ATOM 545 O THR A 54 -6.452 -4.341 8.945 1.00 1.41 O ATOM 546 CB THR A 54 -7.721 -6.933 8.904 1.00 2.58 C ATOM 547 OG1 THR A 54 -7.279 -6.856 10.269 1.00 2.85 O ATOM 548 CG2 THR A 54 -8.193 -8.348 8.602 1.00 3.30 C ATOM 0 H THR A 54 -5.055 -6.948 9.314 1.00 1.76 H new ATOM 0 HA THR A 54 -6.823 -6.876 6.948 1.00 1.96 H new ATOM 0 HB THR A 54 -8.553 -6.245 8.754 1.00 2.58 H new ATOM 0 HG1 THR A 54 -6.834 -5.996 10.421 1.00 2.85 H new ATOM 0 HG21 THR A 54 -8.997 -8.617 9.287 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.558 -8.399 7.576 1.00 3.30 H new ATOM 0 HG23 THR A 54 -7.362 -9.043 8.726 1.00 3.30 H new ATOM 556 N ASP A 55 -6.393 -4.456 6.709 1.00 1.58 N ATOM 557 CA ASP A 55 -6.224 -3.011 6.522 1.00 1.57 C ATOM 558 C ASP A 55 -7.570 -2.294 6.571 1.00 1.40 C ATOM 559 O ASP A 55 -7.623 -1.064 6.596 1.00 1.25 O ATOM 560 CB ASP A 55 -5.515 -2.702 5.197 1.00 2.38 C ATOM 561 CG ASP A 55 -4.229 -3.488 5.021 1.00 3.04 C ATOM 562 OD1 ASP A 55 -3.141 -2.910 5.231 1.00 3.66 O ATOM 563 OD2 ASP A 55 -4.314 -4.685 4.680 1.00 3.51 O ATOM 0 H ASP A 55 -6.456 -4.986 5.840 1.00 1.58 H new ATOM 0 HA ASP A 55 -5.602 -2.646 7.340 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -6.188 -2.925 4.369 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -5.293 -1.636 5.149 1.00 2.38 H new ATOM 568 N ASP A 56 -8.641 -3.088 6.581 1.00 1.62 N ATOM 569 CA ASP A 56 -10.026 -2.595 6.519 1.00 1.72 C ATOM 570 C ASP A 56 -10.257 -1.337 7.353 1.00 1.47 C ATOM 571 O ASP A 56 -10.566 -0.274 6.809 1.00 1.48 O ATOM 572 CB ASP A 56 -10.990 -3.683 7.000 1.00 2.15 C ATOM 573 CG ASP A 56 -10.951 -4.930 6.147 1.00 2.43 C ATOM 574 OD1 ASP A 56 -10.140 -5.834 6.446 1.00 2.98 O ATOM 575 OD2 ASP A 56 -11.736 -5.020 5.182 1.00 2.88 O ATOM 0 H ASP A 56 -8.575 -4.105 6.633 1.00 1.62 H new ATOM 0 HA ASP A 56 -10.211 -2.339 5.476 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -10.746 -3.946 8.029 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -12.005 -3.285 7.004 1.00 2.15 H new ATOM 580 N LYS A 57 -10.103 -1.464 8.668 1.00 1.39 N ATOM 581 CA LYS A 57 -10.383 -0.365 9.589 1.00 1.42 C ATOM 582 C LYS A 57 -9.510 0.848 9.293 1.00 1.20 C ATOM 583 O LYS A 57 -9.988 1.983 9.283 1.00 1.27 O ATOM 584 CB LYS A 57 -10.158 -0.815 11.037 1.00 1.57 C ATOM 585 CG LYS A 57 -10.316 0.299 12.062 1.00 1.98 C ATOM 586 CD LYS A 57 -9.980 -0.176 13.468 1.00 2.71 C ATOM 587 CE LYS A 57 -10.998 -1.180 13.986 1.00 3.40 C ATOM 588 NZ LYS A 57 -12.353 -0.581 14.114 1.00 4.03 N ATOM 0 H LYS A 57 -9.785 -2.320 9.122 1.00 1.39 H new ATOM 0 HA LYS A 57 -11.426 -0.079 9.452 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -10.861 -1.614 11.272 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -9.156 -1.236 11.125 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -9.667 1.133 11.795 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -11.340 0.672 12.039 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -8.989 -0.630 13.471 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -9.940 0.681 14.141 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -11.041 -2.034 13.310 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -10.675 -1.557 14.956 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -12.947 -1.191 14.711 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -12.277 0.361 14.549 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -12.784 -0.493 13.172 1.00 4.03 H new ATOM 602 N LYS A 58 -8.241 0.596 9.016 1.00 1.07 N ATOM 603 CA LYS A 58 -7.260 1.665 8.899 1.00 1.04 C ATOM 604 C LYS A 58 -7.440 2.442 7.595 1.00 0.88 C ATOM 605 O LYS A 58 -7.407 3.672 7.596 1.00 0.87 O ATOM 606 CB LYS A 58 -5.836 1.102 8.997 1.00 1.18 C ATOM 607 CG LYS A 58 -5.503 0.439 10.334 1.00 1.64 C ATOM 608 CD LYS A 58 -5.568 1.419 11.497 1.00 2.25 C ATOM 609 CE LYS A 58 -4.513 2.509 11.376 1.00 2.61 C ATOM 610 NZ LYS A 58 -4.519 3.418 12.551 1.00 2.99 N ATOM 0 H LYS A 58 -7.865 -0.340 8.868 1.00 1.07 H new ATOM 0 HA LYS A 58 -7.419 2.357 9.726 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -5.692 0.373 8.199 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -5.127 1.911 8.821 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -6.198 -0.381 10.514 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -4.504 0.005 10.283 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -6.558 1.874 11.535 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -5.429 0.881 12.434 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -3.529 2.052 11.276 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -4.690 3.087 10.469 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -3.786 4.146 12.430 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -5.450 3.874 12.633 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -4.325 2.871 13.414 1.00 2.99 H new ATOM 624 N ILE A 59 -7.648 1.727 6.490 1.00 0.83 N ATOM 625 CA ILE A 59 -7.858 2.366 5.191 1.00 0.80 C ATOM 626 C ILE A 59 -9.081 3.272 5.231 1.00 0.74 C ATOM 627 O ILE A 59 -9.021 4.442 4.852 1.00 0.78 O ATOM 628 CB ILE A 59 -8.059 1.326 4.060 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.782 0.518 3.830 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.488 2.009 2.764 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.957 -0.610 2.834 1.00 1.33 C ATOM 0 H ILE A 59 -7.676 0.708 6.468 1.00 0.83 H new ATOM 0 HA ILE A 59 -6.961 2.949 4.981 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.850 0.644 4.372 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -5.996 1.186 3.477 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.446 0.105 4.781 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.623 1.259 1.985 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.427 2.538 2.925 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.720 2.719 2.455 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -6.013 -1.142 2.718 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.720 -1.299 3.195 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.264 -0.201 1.871 1.00 1.33 H new ATOM 643 N GLU A 60 -10.184 2.719 5.715 1.00 0.77 N ATOM 644 CA GLU A 60 -11.455 3.423 5.735 1.00 0.87 C ATOM 645 C GLU A 60 -11.394 4.642 6.654 1.00 0.85 C ATOM 646 O GLU A 60 -12.016 5.670 6.378 1.00 0.94 O ATOM 647 CB GLU A 60 -12.558 2.466 6.180 1.00 1.04 C ATOM 648 CG GLU A 60 -13.959 3.038 6.063 1.00 1.32 C ATOM 649 CD GLU A 60 -15.018 2.014 6.392 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.446 1.279 5.474 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.419 1.924 7.572 1.00 2.01 O ATOM 0 H GLU A 60 -10.222 1.776 6.102 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.675 3.782 4.729 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.498 1.556 5.583 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -12.379 2.180 7.216 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.059 3.891 6.734 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.116 3.409 5.050 1.00 1.32 H new ATOM 658 N ASP A 61 -10.630 4.527 7.735 1.00 0.82 N ATOM 659 CA ASP A 61 -10.477 5.625 8.683 1.00 0.88 C ATOM 660 C ASP A 61 -9.656 6.756 8.078 1.00 0.79 C ATOM 661 O ASP A 61 -10.070 7.917 8.103 1.00 0.83 O ATOM 662 CB ASP A 61 -9.808 5.145 9.970 1.00 0.99 C ATOM 663 CG ASP A 61 -10.727 5.233 11.172 1.00 1.55 C ATOM 664 OD1 ASP A 61 -11.076 6.360 11.582 1.00 2.27 O ATOM 665 OD2 ASP A 61 -11.094 4.177 11.726 1.00 2.05 O ATOM 0 H ASP A 61 -10.107 3.685 7.977 1.00 0.82 H new ATOM 0 HA ASP A 61 -11.475 5.996 8.917 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -9.481 4.113 9.842 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -8.915 5.742 10.155 1.00 0.99 H new ATOM 670 N ILE A 62 -8.500 6.411 7.524 1.00 0.72 N ATOM 671 CA ILE A 62 -7.606 7.403 6.939 1.00 0.69 C ATOM 672 C ILE A 62 -8.250 8.075 5.729 1.00 0.68 C ATOM 673 O ILE A 62 -8.190 9.297 5.583 1.00 0.73 O ATOM 674 CB ILE A 62 -6.253 6.777 6.529 1.00 0.73 C ATOM 675 CG1 ILE A 62 -5.528 6.236 7.765 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.384 7.799 5.805 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.223 5.536 7.450 1.00 0.93 C ATOM 0 H ILE A 62 -8.159 5.451 7.467 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.419 8.156 7.705 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.446 5.950 5.845 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.331 7.061 8.449 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.186 5.540 8.285 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.437 7.338 5.525 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.899 8.144 4.908 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.195 8.647 6.463 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -3.768 5.181 8.375 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.414 4.689 6.791 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -3.546 6.234 6.957 1.00 0.93 H new ATOM 689 N LEU A 63 -8.885 7.279 4.875 1.00 0.68 N ATOM 690 CA LEU A 63 -9.537 7.811 3.680 1.00 0.76 C ATOM 691 C LEU A 63 -10.677 8.751 4.070 1.00 0.84 C ATOM 692 O LEU A 63 -10.951 9.735 3.376 1.00 0.94 O ATOM 693 CB LEU A 63 -10.069 6.669 2.800 1.00 0.85 C ATOM 694 CG LEU A 63 -9.919 6.885 1.288 1.00 1.23 C ATOM 695 CD1 LEU A 63 -10.088 5.575 0.535 1.00 1.57 C ATOM 696 CD2 LEU A 63 -10.923 7.909 0.784 1.00 1.89 C ATOM 0 H LEU A 63 -8.963 6.268 4.986 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.799 8.373 3.108 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -9.551 5.750 3.073 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -11.125 6.519 3.026 1.00 0.85 H new ATOM 0 HG LEU A 63 -8.914 7.265 1.105 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -9.978 5.753 -0.535 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -9.329 4.865 0.865 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -11.079 5.166 0.734 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -10.796 8.044 -0.290 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -11.934 7.558 0.989 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -10.759 8.860 1.291 1.00 1.89 H new ATOM 708 N LYS A 64 -11.328 8.451 5.189 1.00 0.89 N ATOM 709 CA LYS A 64 -12.378 9.311 5.721 1.00 1.05 C ATOM 710 C LYS A 64 -11.826 10.707 6.000 1.00 1.03 C ATOM 711 O LYS A 64 -12.489 11.713 5.749 1.00 1.13 O ATOM 712 CB LYS A 64 -12.954 8.704 7.004 1.00 1.22 C ATOM 713 CG LYS A 64 -14.056 9.532 7.643 1.00 1.64 C ATOM 714 CD LYS A 64 -14.555 8.886 8.924 1.00 2.17 C ATOM 715 CE LYS A 64 -15.617 9.734 9.600 1.00 2.87 C ATOM 716 NZ LYS A 64 -16.118 9.102 10.849 1.00 3.41 N ATOM 0 H LYS A 64 -11.146 7.616 5.746 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.175 9.392 4.981 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.344 7.711 6.780 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -12.147 8.574 7.725 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -13.684 10.533 7.859 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -14.884 9.644 6.942 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -14.963 7.901 8.700 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -13.719 8.737 9.607 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -15.205 10.717 9.830 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.449 9.890 8.913 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -16.841 9.712 11.281 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -16.534 8.175 10.626 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -15.329 8.976 11.515 1.00 3.41 H new ATOM 730 N SER A 65 -10.600 10.752 6.503 1.00 0.97 N ATOM 731 CA SER A 65 -9.940 12.012 6.810 1.00 1.06 C ATOM 732 C SER A 65 -9.410 12.675 5.539 1.00 1.03 C ATOM 733 O SER A 65 -9.295 13.901 5.467 1.00 1.13 O ATOM 734 CB SER A 65 -8.792 11.769 7.790 1.00 1.18 C ATOM 735 OG SER A 65 -9.239 11.032 8.918 1.00 1.65 O ATOM 0 H SER A 65 -10.040 9.924 6.708 1.00 0.97 H new ATOM 0 HA SER A 65 -10.670 12.682 7.265 1.00 1.06 H new ATOM 0 HB2 SER A 65 -7.990 11.226 7.290 1.00 1.18 H new ATOM 0 HB3 SER A 65 -8.377 12.723 8.115 1.00 1.18 H new ATOM 0 HG SER A 65 -8.489 10.886 9.532 1.00 1.65 H new ATOM 741 N LEU A 66 -9.102 11.865 4.531 1.00 0.97 N ATOM 742 CA LEU A 66 -8.524 12.380 3.292 1.00 1.05 C ATOM 743 C LEU A 66 -9.581 13.057 2.421 1.00 1.20 C ATOM 744 O LEU A 66 -9.334 14.125 1.859 1.00 1.55 O ATOM 745 CB LEU A 66 -7.814 11.266 2.507 1.00 1.00 C ATOM 746 CG LEU A 66 -6.425 10.864 3.043 1.00 1.09 C ATOM 747 CD1 LEU A 66 -5.894 9.612 2.352 1.00 1.72 C ATOM 748 CD2 LEU A 66 -5.444 12.011 2.867 1.00 1.38 C ATOM 0 H LEU A 66 -9.242 10.855 4.546 1.00 0.97 H new ATOM 0 HA LEU A 66 -7.784 13.131 3.568 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.453 10.383 2.503 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.706 11.586 1.471 1.00 1.00 H new ATOM 0 HG LEU A 66 -6.533 10.639 4.104 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -4.914 9.361 2.757 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -6.581 8.783 2.523 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -5.808 9.796 1.281 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -4.467 11.716 3.249 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -5.360 12.259 1.809 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -5.800 12.882 3.417 1.00 1.38 H new ATOM 760 N GLY A 67 -10.761 12.456 2.326 1.00 1.07 N ATOM 761 CA GLY A 67 -11.858 13.089 1.615 1.00 1.26 C ATOM 762 C GLY A 67 -12.134 12.463 0.259 1.00 1.22 C ATOM 763 O GLY A 67 -12.774 11.412 0.186 1.00 1.28 O ATOM 0 H GLY A 67 -10.979 11.544 2.727 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.759 13.030 2.225 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.633 14.147 1.480 1.00 1.26 H new ATOM 767 N PRO A 68 -11.681 13.106 -0.835 1.00 1.24 N ATOM 768 CA PRO A 68 -11.895 12.618 -2.211 1.00 1.29 C ATOM 769 C PRO A 68 -11.462 11.164 -2.403 1.00 1.15 C ATOM 770 O PRO A 68 -10.643 10.649 -1.641 1.00 0.99 O ATOM 771 CB PRO A 68 -11.009 13.542 -3.051 1.00 1.41 C ATOM 772 CG PRO A 68 -10.918 14.797 -2.261 1.00 1.56 C ATOM 773 CD PRO A 68 -10.925 14.376 -0.820 1.00 1.35 C ATOM 0 HA PRO A 68 -12.951 12.635 -2.482 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -10.024 13.105 -3.215 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -11.445 13.723 -4.033 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -10.008 15.346 -2.503 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -11.757 15.458 -2.479 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -9.914 14.237 -0.438 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -11.405 15.122 -0.186 1.00 1.35 H new ATOM 781 N PRO A 69 -12.023 10.484 -3.423 1.00 1.30 N ATOM 782 CA PRO A 69 -11.672 9.097 -3.752 1.00 1.26 C ATOM 783 C PRO A 69 -10.172 8.926 -3.964 1.00 1.05 C ATOM 784 O PRO A 69 -9.637 9.248 -5.025 1.00 1.17 O ATOM 785 CB PRO A 69 -12.438 8.813 -5.052 1.00 1.53 C ATOM 786 CG PRO A 69 -12.892 10.145 -5.550 1.00 1.89 C ATOM 787 CD PRO A 69 -13.048 11.011 -4.335 1.00 1.58 C ATOM 0 HA PRO A 69 -11.932 8.411 -2.946 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -11.799 8.318 -5.783 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -13.286 8.152 -4.871 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -12.165 10.571 -6.242 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -13.834 10.059 -6.091 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -12.882 12.063 -4.565 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -14.048 10.932 -3.908 1.00 1.58 H new ATOM 795 N VAL A 70 -9.509 8.428 -2.936 1.00 0.85 N ATOM 796 CA VAL A 70 -8.067 8.282 -2.940 1.00 0.67 C ATOM 797 C VAL A 70 -7.631 7.080 -3.771 1.00 0.60 C ATOM 798 O VAL A 70 -8.252 6.019 -3.726 1.00 0.66 O ATOM 799 CB VAL A 70 -7.544 8.161 -1.493 1.00 0.62 C ATOM 800 CG1 VAL A 70 -6.069 7.805 -1.452 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.792 9.460 -0.747 1.00 1.08 C ATOM 0 H VAL A 70 -9.956 8.114 -2.075 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.637 9.172 -3.399 1.00 0.67 H new ATOM 0 HB VAL A 70 -8.088 7.351 -1.007 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.742 7.730 -0.415 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.911 6.850 -1.953 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.494 8.580 -1.959 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.421 9.370 0.274 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -7.272 10.274 -1.251 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.861 9.670 -0.727 1.00 1.08 H new ATOM 811 N LYS A 71 -6.559 7.262 -4.527 1.00 0.55 N ATOM 812 CA LYS A 71 -6.045 6.215 -5.402 1.00 0.54 C ATOM 813 C LYS A 71 -5.054 5.348 -4.634 1.00 0.43 C ATOM 814 O LYS A 71 -4.121 5.861 -4.011 1.00 0.41 O ATOM 815 CB LYS A 71 -5.388 6.827 -6.652 1.00 0.65 C ATOM 816 CG LYS A 71 -4.629 5.822 -7.502 1.00 1.27 C ATOM 817 CD LYS A 71 -4.099 6.457 -8.776 1.00 1.74 C ATOM 818 CE LYS A 71 -3.357 5.443 -9.630 1.00 2.14 C ATOM 819 NZ LYS A 71 -2.911 6.023 -10.922 1.00 2.53 N ATOM 0 H LYS A 71 -6.024 8.130 -4.553 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.873 5.590 -5.736 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -6.159 7.296 -7.263 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -4.703 7.616 -6.341 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -3.799 5.411 -6.927 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.285 4.989 -7.755 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -4.926 6.880 -9.346 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -3.432 7.281 -8.524 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -2.491 5.072 -9.082 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -4.004 4.587 -9.821 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -2.079 5.504 -11.267 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -3.679 5.948 -11.619 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -2.663 7.024 -10.786 1.00 2.53 H new ATOM 833 N ILE A 72 -5.261 4.041 -4.665 1.00 0.45 N ATOM 834 CA ILE A 72 -4.462 3.137 -3.856 1.00 0.43 C ATOM 835 C ILE A 72 -3.408 2.400 -4.684 1.00 0.41 C ATOM 836 O ILE A 72 -3.711 1.758 -5.690 1.00 0.50 O ATOM 837 CB ILE A 72 -5.345 2.112 -3.113 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.386 2.835 -2.251 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.484 1.202 -2.251 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.224 1.909 -1.392 1.00 1.00 C ATOM 0 H ILE A 72 -5.971 3.585 -5.238 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.948 3.759 -3.123 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.867 1.501 -3.850 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -5.875 3.550 -1.606 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.047 3.408 -2.901 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.119 0.484 -1.733 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -3.773 0.668 -2.882 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -3.941 1.801 -1.519 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.936 2.496 -0.812 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.764 1.210 -2.030 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.575 1.354 -0.715 1.00 1.00 H new ATOM 852 N LEU A 73 -2.170 2.514 -4.234 1.00 0.37 N ATOM 853 CA LEU A 73 -1.033 1.828 -4.816 1.00 0.37 C ATOM 854 C LEU A 73 -0.447 0.903 -3.749 1.00 0.37 C ATOM 855 O LEU A 73 0.082 1.363 -2.738 1.00 0.46 O ATOM 856 CB LEU A 73 -0.028 2.897 -5.315 1.00 0.43 C ATOM 857 CG LEU A 73 1.398 2.467 -5.728 1.00 0.57 C ATOM 858 CD1 LEU A 73 2.329 2.465 -4.530 1.00 1.06 C ATOM 859 CD2 LEU A 73 1.426 1.112 -6.421 1.00 1.22 C ATOM 0 H LEU A 73 -1.924 3.100 -3.436 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.306 1.213 -5.673 1.00 0.37 H new ATOM 0 HB2 LEU A 73 -0.480 3.395 -6.173 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.071 3.645 -4.528 1.00 0.43 H new ATOM 0 HG LEU A 73 1.747 3.204 -6.451 1.00 0.57 H new ATOM 0 HD11 LEU A 73 3.327 2.159 -4.845 1.00 1.06 H new ATOM 0 HD12 LEU A 73 2.374 3.467 -4.103 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.956 1.768 -3.780 1.00 1.06 H new ATOM 0 HD21 LEU A 73 2.453 0.861 -6.688 1.00 1.22 H new ATOM 0 HD22 LEU A 73 1.030 0.351 -5.748 1.00 1.22 H new ATOM 0 HD23 LEU A 73 0.816 1.152 -7.323 1.00 1.22 H new ATOM 871 N VAL A 74 -0.601 -0.399 -3.945 1.00 0.40 N ATOM 872 CA VAL A 74 -0.174 -1.371 -2.950 1.00 0.40 C ATOM 873 C VAL A 74 1.058 -2.148 -3.410 1.00 0.39 C ATOM 874 O VAL A 74 1.104 -2.674 -4.521 1.00 0.47 O ATOM 875 CB VAL A 74 -1.324 -2.351 -2.586 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.847 -3.074 -3.806 1.00 1.30 C ATOM 877 CG2 VAL A 74 -0.883 -3.367 -1.542 1.00 1.16 C ATOM 0 H VAL A 74 -1.018 -0.806 -4.783 1.00 0.40 H new ATOM 0 HA VAL A 74 0.096 -0.810 -2.056 1.00 0.40 H new ATOM 0 HB VAL A 74 -2.128 -1.745 -2.168 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.650 -3.750 -3.512 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -2.229 -2.348 -4.524 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.040 -3.646 -4.264 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -1.712 -4.036 -1.312 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -0.046 -3.947 -1.930 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -0.574 -2.847 -0.635 1.00 1.16 H new ATOM 887 N LEU A 75 2.056 -2.202 -2.544 1.00 0.38 N ATOM 888 CA LEU A 75 3.247 -2.993 -2.786 1.00 0.38 C ATOM 889 C LEU A 75 3.118 -4.292 -2.016 1.00 0.35 C ATOM 890 O LEU A 75 2.845 -4.287 -0.815 1.00 0.43 O ATOM 891 CB LEU A 75 4.505 -2.247 -2.330 1.00 0.48 C ATOM 892 CG LEU A 75 4.589 -0.783 -2.756 1.00 0.80 C ATOM 893 CD1 LEU A 75 5.833 -0.133 -2.180 1.00 1.67 C ATOM 894 CD2 LEU A 75 4.575 -0.656 -4.272 1.00 1.65 C ATOM 0 H LEU A 75 2.062 -1.700 -1.656 1.00 0.38 H new ATOM 0 HA LEU A 75 3.341 -3.186 -3.855 1.00 0.38 H new ATOM 0 HB2 LEU A 75 4.561 -2.295 -1.243 1.00 0.48 H new ATOM 0 HB3 LEU A 75 5.378 -2.771 -2.718 1.00 0.48 H new ATOM 0 HG LEU A 75 3.713 -0.265 -2.365 1.00 0.80 H new ATOM 0 HD11 LEU A 75 5.877 0.910 -2.494 1.00 1.67 H new ATOM 0 HD12 LEU A 75 5.799 -0.184 -1.092 1.00 1.67 H new ATOM 0 HD13 LEU A 75 6.718 -0.658 -2.540 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.636 0.396 -4.550 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.428 -1.191 -4.690 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.652 -1.082 -4.664 1.00 1.65 H new ATOM 906 N LEU A 76 3.284 -5.401 -2.700 1.00 0.34 N ATOM 907 CA LEU A 76 3.058 -6.688 -2.083 1.00 0.42 C ATOM 908 C LEU A 76 4.232 -7.619 -2.334 1.00 0.41 C ATOM 909 O LEU A 76 4.545 -7.940 -3.482 1.00 0.48 O ATOM 910 CB LEU A 76 1.763 -7.295 -2.633 1.00 0.55 C ATOM 911 CG LEU A 76 1.158 -8.426 -1.802 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.710 -7.903 -0.446 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.008 -9.061 -2.544 1.00 1.76 C ATOM 0 H LEU A 76 3.573 -5.438 -3.678 1.00 0.34 H new ATOM 0 HA LEU A 76 2.963 -6.554 -1.005 1.00 0.42 H new ATOM 0 HB2 LEU A 76 1.022 -6.501 -2.727 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.957 -7.670 -3.638 1.00 0.55 H new ATOM 0 HG LEU A 76 1.920 -9.189 -1.642 1.00 1.09 H new ATOM 0 HD11 LEU A 76 0.281 -8.719 0.135 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.567 -7.490 0.086 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.040 -7.124 -0.586 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.429 -9.865 -1.940 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.774 -8.308 -2.731 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.342 -9.466 -3.494 1.00 1.76 H new ATOM 925 N GLU A 77 4.897 -8.021 -1.261 1.00 0.46 N ATOM 926 CA GLU A 77 5.949 -9.019 -1.349 1.00 0.49 C ATOM 927 C GLU A 77 5.315 -10.361 -1.674 1.00 0.49 C ATOM 928 O GLU A 77 4.306 -10.735 -1.075 1.00 0.59 O ATOM 929 CB GLU A 77 6.735 -9.095 -0.033 1.00 0.61 C ATOM 930 CG GLU A 77 7.746 -10.231 0.028 1.00 0.63 C ATOM 931 CD GLU A 77 8.621 -10.167 1.263 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.363 -10.927 2.220 1.00 1.71 O ATOM 933 OE2 GLU A 77 9.576 -9.362 1.284 1.00 1.74 O ATOM 0 H GLU A 77 4.725 -7.670 -0.319 1.00 0.46 H new ATOM 0 HA GLU A 77 6.652 -8.744 -2.136 1.00 0.49 H new ATOM 0 HB2 GLU A 77 7.258 -8.151 0.120 1.00 0.61 H new ATOM 0 HB3 GLU A 77 6.031 -9.206 0.791 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.217 -11.184 0.011 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.376 -10.200 -0.861 1.00 0.63 H new ATOM 940 N ASP A 78 5.884 -11.079 -2.627 1.00 0.54 N ATOM 941 CA ASP A 78 5.269 -12.314 -3.084 1.00 0.61 C ATOM 942 C ASP A 78 5.540 -13.446 -2.101 1.00 0.63 C ATOM 943 O ASP A 78 6.513 -14.189 -2.225 1.00 0.72 O ATOM 944 CB ASP A 78 5.768 -12.682 -4.483 1.00 0.77 C ATOM 945 CG ASP A 78 4.970 -13.815 -5.100 1.00 1.06 C ATOM 946 OD1 ASP A 78 5.518 -14.927 -5.251 1.00 1.59 O ATOM 947 OD2 ASP A 78 3.787 -13.594 -5.443 1.00 1.85 O ATOM 0 H ASP A 78 6.757 -10.834 -3.094 1.00 0.54 H new ATOM 0 HA ASP A 78 4.191 -12.159 -3.137 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.710 -11.806 -5.129 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.818 -12.968 -4.428 1.00 0.77 H new ATOM 952 N THR A 79 4.672 -13.545 -1.109 1.00 0.61 N ATOM 953 CA THR A 79 4.705 -14.627 -0.145 1.00 0.72 C ATOM 954 C THR A 79 3.483 -15.521 -0.370 1.00 0.78 C ATOM 955 O THR A 79 2.633 -15.191 -1.200 1.00 0.84 O ATOM 956 CB THR A 79 4.690 -14.067 1.297 1.00 0.77 C ATOM 957 OG1 THR A 79 5.424 -12.834 1.347 1.00 1.04 O ATOM 958 CG2 THR A 79 5.308 -15.047 2.282 1.00 1.20 C ATOM 0 H THR A 79 3.921 -12.873 -0.950 1.00 0.61 H new ATOM 0 HA THR A 79 5.620 -15.205 -0.277 1.00 0.72 H new ATOM 0 HB THR A 79 3.650 -13.901 1.577 1.00 0.77 H new ATOM 0 HG1 THR A 79 5.410 -12.482 2.262 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.281 -14.621 3.285 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.745 -15.980 2.269 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.342 -15.243 1.999 1.00 1.20 H new ATOM 966 N LYS A 80 3.380 -16.639 0.336 1.00 0.84 N ATOM 967 CA LYS A 80 2.183 -17.469 0.242 1.00 0.92 C ATOM 968 C LYS A 80 0.982 -16.737 0.837 1.00 0.88 C ATOM 969 O LYS A 80 -0.090 -16.679 0.231 1.00 0.90 O ATOM 970 CB LYS A 80 2.385 -18.808 0.953 1.00 1.09 C ATOM 971 CG LYS A 80 3.437 -19.690 0.303 1.00 1.65 C ATOM 972 CD LYS A 80 3.542 -21.033 1.001 1.00 2.05 C ATOM 973 CE LYS A 80 4.585 -21.922 0.347 1.00 3.00 C ATOM 974 NZ LYS A 80 5.956 -21.367 0.485 1.00 3.57 N ATOM 0 H LYS A 80 4.097 -16.990 0.971 1.00 0.84 H new ATOM 0 HA LYS A 80 1.993 -17.667 -0.813 1.00 0.92 H new ATOM 0 HB2 LYS A 80 2.670 -18.621 1.988 1.00 1.09 H new ATOM 0 HB3 LYS A 80 1.436 -19.345 0.975 1.00 1.09 H new ATOM 0 HG2 LYS A 80 3.188 -19.843 -0.747 1.00 1.65 H new ATOM 0 HG3 LYS A 80 4.404 -19.187 0.331 1.00 1.65 H new ATOM 0 HD2 LYS A 80 3.799 -20.880 2.049 1.00 2.05 H new ATOM 0 HD3 LYS A 80 2.573 -21.532 0.980 1.00 2.05 H new ATOM 0 HE2 LYS A 80 4.549 -22.914 0.797 1.00 3.00 H new ATOM 0 HE3 LYS A 80 4.347 -22.042 -0.710 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 6.651 -22.078 0.179 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 6.047 -20.516 -0.106 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 6.131 -21.118 1.479 1.00 3.57 H new ATOM 988 N ASP A 81 1.181 -16.159 2.017 1.00 0.90 N ATOM 989 CA ASP A 81 0.128 -15.423 2.716 1.00 0.93 C ATOM 990 C ASP A 81 -0.319 -14.210 1.908 1.00 0.83 C ATOM 991 O ASP A 81 -1.440 -13.729 2.058 1.00 0.82 O ATOM 992 CB ASP A 81 0.621 -14.966 4.090 1.00 1.08 C ATOM 993 CG ASP A 81 1.158 -16.108 4.928 1.00 1.46 C ATOM 994 OD1 ASP A 81 0.427 -16.601 5.813 1.00 2.24 O ATOM 995 OD2 ASP A 81 2.319 -16.508 4.709 1.00 2.00 O ATOM 0 H ASP A 81 2.071 -16.186 2.515 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.722 -16.094 2.840 1.00 0.93 H new ATOM 0 HB2 ASP A 81 1.402 -14.217 3.960 1.00 1.08 H new ATOM 0 HB3 ASP A 81 -0.198 -14.483 4.623 1.00 1.08 H new ATOM 1000 N ALA A 82 0.574 -13.726 1.050 1.00 0.82 N ATOM 1001 CA ALA A 82 0.308 -12.562 0.208 1.00 0.82 C ATOM 1002 C ALA A 82 -0.932 -12.756 -0.661 1.00 0.82 C ATOM 1003 O ALA A 82 -1.590 -11.787 -1.032 1.00 0.84 O ATOM 1004 CB ALA A 82 1.514 -12.273 -0.669 1.00 0.97 C ATOM 0 H ALA A 82 1.502 -14.129 0.918 1.00 0.82 H new ATOM 0 HA ALA A 82 0.119 -11.715 0.867 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.309 -11.404 -1.294 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.381 -12.071 -0.040 1.00 0.97 H new ATOM 0 HB3 ALA A 82 1.718 -13.136 -1.303 1.00 0.97 H new ATOM 1010 N ASP A 83 -1.260 -14.009 -0.961 1.00 0.91 N ATOM 1011 CA ASP A 83 -2.407 -14.311 -1.814 1.00 1.03 C ATOM 1012 C ASP A 83 -3.692 -13.980 -1.075 1.00 0.98 C ATOM 1013 O ASP A 83 -4.689 -13.570 -1.673 1.00 1.03 O ATOM 1014 CB ASP A 83 -2.402 -15.785 -2.233 1.00 1.27 C ATOM 1015 CG ASP A 83 -3.622 -16.164 -3.051 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -4.570 -16.738 -2.479 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -3.635 -15.889 -4.271 1.00 2.33 O ATOM 0 H ASP A 83 -0.752 -14.828 -0.629 1.00 0.91 H new ATOM 0 HA ASP A 83 -2.342 -13.703 -2.716 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -1.502 -15.991 -2.813 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -2.357 -16.412 -1.342 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.636 -14.133 0.240 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.754 -13.823 1.108 1.00 1.04 C ATOM 1024 C LYS A 84 -4.971 -12.318 1.174 1.00 0.94 C ATOM 1025 O LYS A 84 -6.103 -11.840 1.127 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.485 -14.363 2.510 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.304 -15.871 2.571 1.00 1.67 C ATOM 1028 CD LYS A 84 -3.893 -16.322 3.964 1.00 2.01 C ATOM 1029 CE LYS A 84 -4.937 -15.950 5.005 1.00 2.47 C ATOM 1030 NZ LYS A 84 -4.498 -16.293 6.382 1.00 3.21 N ATOM 0 H LYS A 84 -2.811 -14.476 0.732 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.651 -14.292 0.704 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.590 -13.884 2.906 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -5.312 -14.081 3.161 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -5.234 -16.363 2.287 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -3.547 -16.178 1.849 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -3.743 -17.402 3.968 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -2.938 -15.867 4.227 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -5.143 -14.881 4.946 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -5.870 -16.467 4.783 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -5.239 -16.023 7.060 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -4.326 -17.317 6.447 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -3.621 -15.780 6.605 1.00 3.21 H new ATOM 1044 N VAL A 85 -3.874 -11.577 1.272 1.00 0.80 N ATOM 1045 CA VAL A 85 -3.944 -10.123 1.346 1.00 0.77 C ATOM 1046 C VAL A 85 -4.376 -9.561 -0.006 1.00 0.68 C ATOM 1047 O VAL A 85 -5.163 -8.618 -0.074 1.00 0.75 O ATOM 1048 CB VAL A 85 -2.586 -9.495 1.773 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -2.790 -8.092 2.321 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -1.845 -10.370 2.785 1.00 1.16 C ATOM 0 H VAL A 85 -2.928 -11.957 1.302 1.00 0.80 H new ATOM 0 HA VAL A 85 -4.678 -9.863 2.108 1.00 0.77 H new ATOM 0 HB VAL A 85 -1.963 -9.432 0.881 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -1.828 -7.672 2.613 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.242 -7.464 1.553 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -3.447 -8.133 3.190 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -0.902 -9.894 3.056 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -2.459 -10.494 3.677 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -1.645 -11.347 2.344 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.890 -10.174 -1.081 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.285 -9.793 -2.431 1.00 0.59 C ATOM 1062 C LYS A 86 -5.783 -10.016 -2.618 1.00 0.69 C ATOM 1063 O LYS A 86 -6.480 -9.201 -3.220 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.488 -10.611 -3.452 1.00 0.62 C ATOM 1065 CG LYS A 86 -4.041 -10.552 -4.866 1.00 0.79 C ATOM 1066 CD LYS A 86 -3.201 -11.384 -5.819 1.00 1.07 C ATOM 1067 CE LYS A 86 -3.855 -11.503 -7.183 1.00 1.57 C ATOM 1068 NZ LYS A 86 -5.144 -12.244 -7.117 1.00 2.30 N ATOM 0 H LYS A 86 -3.218 -10.941 -1.042 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.071 -8.735 -2.585 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.458 -10.255 -3.462 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.462 -11.651 -3.127 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -5.069 -10.914 -4.873 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -4.065 -9.517 -5.207 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -2.215 -10.931 -5.926 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -3.051 -12.379 -5.399 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -4.029 -10.507 -7.590 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -3.177 -12.013 -7.867 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -5.415 -12.555 -8.072 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -5.036 -13.074 -6.500 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -5.883 -11.621 -6.733 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.259 -11.123 -2.068 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.653 -11.501 -2.131 1.00 0.89 C ATOM 1084 C LYS A 87 -8.550 -10.461 -1.459 1.00 0.88 C ATOM 1085 O LYS A 87 -9.512 -9.979 -2.060 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.786 -12.866 -1.458 1.00 1.06 C ATOM 1087 CG LYS A 87 -9.194 -13.274 -1.101 1.00 1.85 C ATOM 1088 CD LYS A 87 -9.203 -14.661 -0.485 1.00 2.29 C ATOM 1089 CE LYS A 87 -10.577 -15.022 0.026 1.00 3.21 C ATOM 1090 NZ LYS A 87 -10.876 -14.376 1.330 1.00 3.93 N ATOM 0 H LYS A 87 -5.676 -11.789 -1.560 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.980 -11.555 -3.169 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.363 -13.622 -2.120 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -7.184 -12.865 -0.549 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -9.621 -12.556 -0.401 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -9.820 -13.261 -1.993 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -8.884 -15.393 -1.227 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -8.485 -14.703 0.334 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -11.326 -14.722 -0.707 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -10.651 -16.104 0.133 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -11.669 -14.869 1.788 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -10.037 -14.426 1.942 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -11.132 -13.380 1.174 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.212 -10.097 -0.228 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.061 -9.220 0.572 1.00 0.98 C ATOM 1106 C GLU A 88 -8.937 -7.754 0.161 1.00 0.96 C ATOM 1107 O GLU A 88 -9.942 -7.046 0.073 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.736 -9.386 2.053 1.00 1.06 C ATOM 1109 CG GLU A 88 -9.017 -10.786 2.574 1.00 1.16 C ATOM 1110 CD GLU A 88 -10.473 -11.184 2.417 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -10.834 -11.746 1.364 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -11.268 -10.937 3.353 1.00 2.58 O ATOM 0 H GLU A 88 -7.356 -10.395 0.239 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.095 -9.515 0.391 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.685 -9.149 2.217 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.319 -8.667 2.629 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -8.389 -11.501 2.042 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.740 -10.840 3.627 1.00 1.16 H new ATOM 1119 N ILE A 89 -7.717 -7.296 -0.096 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.499 -5.905 -0.488 1.00 0.93 C ATOM 1121 C ILE A 89 -8.191 -5.607 -1.819 1.00 0.87 C ATOM 1122 O ILE A 89 -8.758 -4.529 -2.013 1.00 0.91 O ATOM 1123 CB ILE A 89 -5.991 -5.568 -0.583 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.331 -5.644 0.801 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -5.773 -4.190 -1.197 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -5.909 -4.678 1.819 1.00 1.17 C ATOM 0 H ILE A 89 -6.869 -7.860 -0.041 1.00 0.91 H new ATOM 0 HA ILE A 89 -7.934 -5.275 0.287 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.525 -6.308 -1.234 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.430 -6.660 1.183 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.264 -5.447 0.694 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -4.705 -3.981 -1.251 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.198 -4.167 -2.200 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -6.260 -3.435 -0.579 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -5.388 -4.796 2.769 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -5.785 -3.656 1.462 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -6.969 -4.888 1.959 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.178 -6.581 -2.721 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.824 -6.412 -4.020 1.00 0.79 C ATOM 1140 C GLU A 90 -10.336 -6.550 -3.870 1.00 0.79 C ATOM 1141 O GLU A 90 -11.108 -5.917 -4.591 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.295 -7.425 -5.040 1.00 0.83 C ATOM 1143 CG GLU A 90 -9.040 -7.409 -6.361 1.00 1.35 C ATOM 1144 CD GLU A 90 -8.551 -8.476 -7.309 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -9.074 -9.610 -7.254 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -7.646 -8.192 -8.114 1.00 2.08 O ATOM 0 H GLU A 90 -7.733 -7.488 -2.581 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.590 -5.414 -4.390 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -7.240 -7.222 -5.226 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.357 -8.425 -4.611 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -10.105 -7.551 -6.176 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -8.925 -6.431 -6.828 1.00 1.35 H new ATOM 1153 N LYS A 91 -10.749 -7.384 -2.925 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.150 -7.565 -2.612 1.00 0.93 C ATOM 1155 C LYS A 91 -12.783 -6.230 -2.222 1.00 0.96 C ATOM 1156 O LYS A 91 -13.882 -5.897 -2.672 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.289 -8.566 -1.469 1.00 1.11 C ATOM 1158 CG LYS A 91 -13.674 -9.157 -1.340 1.00 1.66 C ATOM 1159 CD LYS A 91 -13.998 -10.063 -2.513 1.00 1.93 C ATOM 1160 CE LYS A 91 -15.391 -10.635 -2.386 1.00 2.60 C ATOM 1161 NZ LYS A 91 -15.519 -11.547 -1.220 1.00 3.12 N ATOM 0 H LYS A 91 -10.119 -7.951 -2.358 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.667 -7.948 -3.492 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -11.572 -9.374 -1.617 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -12.026 -8.073 -0.533 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -13.745 -9.722 -0.411 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -14.410 -8.355 -1.283 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -13.915 -9.502 -3.444 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -13.271 -10.874 -2.563 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -16.109 -9.821 -2.289 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -15.644 -11.176 -3.298 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -16.423 -12.057 -1.276 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -14.735 -12.230 -1.226 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -15.488 -10.993 -0.341 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.067 -5.466 -1.398 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.532 -4.150 -0.970 1.00 1.17 C ATOM 1177 C LYS A 92 -12.608 -3.200 -2.155 1.00 1.08 C ATOM 1178 O LYS A 92 -13.526 -2.381 -2.252 1.00 1.15 O ATOM 1179 CB LYS A 92 -11.599 -3.556 0.087 1.00 1.37 C ATOM 1180 CG LYS A 92 -11.438 -4.417 1.328 1.00 1.59 C ATOM 1181 CD LYS A 92 -10.723 -3.662 2.436 1.00 1.81 C ATOM 1182 CE LYS A 92 -11.607 -2.568 3.021 1.00 2.18 C ATOM 1183 NZ LYS A 92 -12.816 -3.131 3.679 1.00 2.41 N ATOM 0 H LYS A 92 -11.162 -5.737 -1.014 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.525 -4.276 -0.539 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -10.618 -3.395 -0.360 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -11.979 -2.578 0.383 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -12.418 -4.739 1.679 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -10.877 -5.317 1.078 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -10.432 -4.357 3.224 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -9.806 -3.221 2.045 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -11.036 -1.987 3.745 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -11.909 -1.882 2.229 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -13.247 -2.408 4.290 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -13.501 -3.425 2.954 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -12.546 -3.954 4.254 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.638 -3.322 -3.055 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.581 -2.500 -4.257 1.00 0.99 C ATOM 1199 C ALA A 93 -12.851 -2.651 -5.080 1.00 0.90 C ATOM 1200 O ALA A 93 -13.342 -1.693 -5.677 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.372 -2.879 -5.097 1.00 1.01 C ATOM 0 H ALA A 93 -10.872 -3.991 -2.972 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.491 -1.458 -3.950 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.341 -2.257 -5.992 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.463 -2.724 -4.516 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.444 -3.928 -5.386 1.00 1.01 H new ATOM 1207 N ARG A 94 -13.377 -3.865 -5.100 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.575 -4.172 -5.862 1.00 0.85 C ATOM 1209 C ARG A 94 -15.819 -3.636 -5.159 1.00 0.86 C ATOM 1210 O ARG A 94 -16.717 -3.096 -5.800 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.686 -5.688 -6.065 1.00 0.93 C ATOM 1212 CG ARG A 94 -13.474 -6.292 -6.757 1.00 1.31 C ATOM 1213 CD ARG A 94 -13.602 -7.798 -6.892 1.00 1.63 C ATOM 1214 NE ARG A 94 -12.384 -8.417 -7.411 1.00 2.21 N ATOM 1215 CZ ARG A 94 -12.299 -9.031 -8.591 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -13.346 -9.067 -9.409 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -11.163 -9.613 -8.952 1.00 3.67 N ATOM 0 H ARG A 94 -12.988 -4.660 -4.592 1.00 0.82 H new ATOM 0 HA ARG A 94 -14.503 -3.686 -6.835 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -14.820 -6.169 -5.096 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -15.577 -5.905 -6.654 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -13.358 -5.846 -7.745 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -12.574 -6.052 -6.191 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -13.839 -8.228 -5.919 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -14.435 -8.031 -7.555 1.00 1.63 H new ATOM 0 HE ARG A 94 -11.545 -8.377 -6.833 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -14.222 -8.623 -9.135 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -13.273 -9.539 -10.310 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -10.357 -9.590 -8.327 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -11.095 -10.084 -9.854 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.856 -3.771 -3.837 1.00 0.90 N ATOM 1232 CA LYS A 95 -17.008 -3.330 -3.052 1.00 1.02 C ATOM 1233 C LYS A 95 -17.136 -1.807 -3.049 1.00 1.02 C ATOM 1234 O LYS A 95 -18.207 -1.263 -3.325 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.901 -3.827 -1.610 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.002 -5.336 -1.453 1.00 1.55 C ATOM 1237 CD LYS A 95 -16.861 -5.738 0.005 1.00 2.10 C ATOM 1238 CE LYS A 95 -16.958 -7.243 0.194 1.00 2.52 C ATOM 1239 NZ LYS A 95 -18.327 -7.759 -0.064 1.00 3.34 N ATOM 0 H LYS A 95 -15.103 -4.182 -3.285 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.896 -3.754 -3.520 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -15.950 -3.494 -1.194 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -17.688 -3.360 -1.019 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -17.960 -5.683 -1.839 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -16.226 -5.820 -2.045 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -15.903 -5.386 0.387 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -17.638 -5.248 0.593 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -16.254 -7.737 -0.476 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -16.662 -7.499 1.211 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -18.359 -8.778 0.143 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -19.006 -7.260 0.545 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -18.575 -7.601 -1.061 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.041 -1.124 -2.741 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.061 0.330 -2.595 1.00 1.03 C ATOM 1255 C LYS A 96 -15.865 1.033 -3.933 1.00 0.96 C ATOM 1256 O LYS A 96 -15.901 2.264 -4.008 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.978 0.784 -1.613 1.00 1.15 C ATOM 1258 CG LYS A 96 -15.234 0.377 -0.168 1.00 1.29 C ATOM 1259 CD LYS A 96 -14.033 0.695 0.712 1.00 1.68 C ATOM 1260 CE LYS A 96 -14.318 0.443 2.186 1.00 1.78 C ATOM 1261 NZ LYS A 96 -15.283 1.428 2.746 1.00 2.17 N ATOM 0 H LYS A 96 -15.127 -1.551 -2.587 1.00 0.97 H new ATOM 0 HA LYS A 96 -17.042 0.604 -2.207 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -14.020 0.372 -1.930 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.890 1.869 -1.663 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -16.114 0.898 0.210 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -15.451 -0.690 -0.121 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -13.184 0.087 0.399 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -13.748 1.738 0.572 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -14.715 -0.564 2.311 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -13.385 0.490 2.748 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -15.073 1.586 3.752 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -15.200 2.327 2.230 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -16.251 1.060 2.647 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.662 0.236 -4.985 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.398 0.755 -6.331 1.00 0.86 C ATOM 1277 C ASN A 97 -14.179 1.668 -6.311 1.00 0.87 C ATOM 1278 O ASN A 97 -14.149 2.705 -6.969 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.611 1.512 -6.889 1.00 0.97 C ATOM 1280 CG ASN A 97 -17.859 0.651 -7.003 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -17.684 -0.638 -7.256 1.00 2.27 O flip ATOM 1282 ND2 ASN A 97 -18.977 1.148 -6.876 1.00 2.33 N flip ATOM 0 H ASN A 97 -15.676 -0.782 -4.929 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.202 -0.095 -6.984 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -16.825 2.366 -6.246 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.361 1.909 -7.873 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -19.073 2.145 -6.681 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -19.808 0.563 -6.965 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.177 1.263 -5.549 1.00 0.78 N ATOM 1290 CA LEU A 98 -11.979 2.063 -5.356 1.00 0.84 C ATOM 1291 C LEU A 98 -10.784 1.326 -5.953 1.00 0.71 C ATOM 1292 O LEU A 98 -10.368 0.297 -5.426 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.765 2.312 -3.858 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.736 3.390 -3.501 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.259 4.787 -3.816 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -10.365 3.281 -2.034 1.00 2.08 C ATOM 0 H LEU A 98 -13.170 0.374 -5.049 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.088 3.025 -5.856 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.722 2.589 -3.415 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.458 1.375 -3.394 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.847 3.227 -4.110 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -10.504 5.527 -3.550 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.481 4.861 -4.881 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -12.167 4.973 -3.242 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -9.633 4.050 -1.786 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -11.257 3.418 -1.422 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -9.938 2.297 -1.839 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.234 1.824 -7.072 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.164 1.130 -7.788 1.00 0.85 C ATOM 1310 C PRO A 99 -7.887 0.974 -6.962 1.00 0.70 C ATOM 1311 O PRO A 99 -7.266 1.959 -6.548 1.00 0.77 O ATOM 1312 CB PRO A 99 -8.890 1.990 -9.025 1.00 1.15 C ATOM 1313 CG PRO A 99 -9.627 3.277 -8.833 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.619 3.092 -7.713 1.00 1.10 C ATOM 0 HA PRO A 99 -9.472 0.113 -8.030 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -7.821 2.171 -9.140 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.227 1.484 -9.929 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -8.931 4.081 -8.595 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -10.140 3.561 -9.752 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -10.576 3.921 -7.006 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.640 3.049 -8.092 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.496 -0.276 -6.749 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.276 -0.595 -6.017 1.00 0.47 C ATOM 1324 C VAL A 100 -5.260 -1.235 -6.957 1.00 0.42 C ATOM 1325 O VAL A 100 -5.532 -2.269 -7.570 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.532 -1.545 -4.819 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -5.234 -1.845 -4.087 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.549 -0.944 -3.863 1.00 1.35 C ATOM 0 H VAL A 100 -8.012 -1.093 -7.076 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.889 0.343 -5.619 1.00 0.47 H new ATOM 0 HB VAL A 100 -6.935 -2.480 -5.208 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -5.435 -2.513 -3.250 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -4.532 -2.321 -4.771 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -4.803 -0.916 -3.714 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.713 -1.627 -3.030 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -7.174 0.007 -3.484 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -8.490 -0.780 -4.389 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.100 -0.612 -7.072 1.00 0.43 N ATOM 1339 CA ARG A 101 -3.064 -1.075 -7.979 1.00 0.43 C ATOM 1340 C ARG A 101 -2.015 -1.904 -7.251 1.00 0.40 C ATOM 1341 O ARG A 101 -1.238 -1.380 -6.457 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.423 0.125 -8.668 1.00 0.49 C ATOM 1343 CG ARG A 101 -3.244 0.634 -9.838 1.00 1.20 C ATOM 1344 CD ARG A 101 -2.623 1.862 -10.476 1.00 1.40 C ATOM 1345 NE ARG A 101 -3.447 2.383 -11.565 1.00 2.23 N ATOM 1346 CZ ARG A 101 -3.079 2.395 -12.847 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -1.931 1.840 -13.221 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -3.877 2.941 -13.756 1.00 3.87 N ATOM 0 H ARG A 101 -3.851 0.224 -6.543 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.520 -1.721 -8.729 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.293 0.929 -7.943 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.429 -0.151 -9.019 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -3.338 -0.154 -10.585 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -4.252 0.873 -9.497 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -2.488 2.636 -9.720 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -1.633 1.612 -10.857 1.00 1.40 H new ATOM 0 HE ARG A 101 -4.364 2.762 -11.329 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -1.326 1.402 -12.526 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -1.655 1.852 -14.203 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -4.768 3.349 -13.473 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -3.599 2.952 -14.737 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.011 -3.203 -7.526 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.082 -4.125 -6.887 1.00 0.43 C ATOM 1364 C ILE A 102 0.253 -4.168 -7.614 1.00 0.45 C ATOM 1365 O ILE A 102 0.310 -4.371 -8.827 1.00 0.56 O ATOM 1366 CB ILE A 102 -1.662 -5.559 -6.806 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -2.897 -5.588 -5.903 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -0.610 -6.542 -6.296 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -3.550 -6.949 -5.810 1.00 0.76 C ATOM 0 H ILE A 102 -2.646 -3.643 -8.192 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.925 -3.750 -5.876 1.00 0.43 H new ATOM 0 HB ILE A 102 -1.957 -5.862 -7.810 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -2.612 -5.262 -4.903 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.626 -4.870 -6.277 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.040 -7.542 -6.247 1.00 0.60 H new ATOM 0 HG22 ILE A 102 0.243 -6.546 -6.974 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.281 -6.240 -5.302 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -4.418 -6.892 -5.153 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -3.866 -7.269 -6.803 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -2.837 -7.668 -5.407 1.00 0.76 H new ATOM 1381 N ARG A 103 1.319 -3.956 -6.864 1.00 0.41 N ATOM 1382 CA ARG A 103 2.667 -4.086 -7.386 1.00 0.50 C ATOM 1383 C ARG A 103 3.437 -5.141 -6.589 1.00 0.43 C ATOM 1384 O ARG A 103 3.757 -4.937 -5.418 1.00 0.53 O ATOM 1385 CB ARG A 103 3.384 -2.732 -7.333 1.00 0.65 C ATOM 1386 CG ARG A 103 4.829 -2.778 -7.809 1.00 1.12 C ATOM 1387 CD ARG A 103 4.936 -3.247 -9.263 1.00 1.27 C ATOM 1388 NE ARG A 103 4.168 -2.398 -10.173 1.00 1.83 N ATOM 1389 CZ ARG A 103 4.020 -2.647 -11.474 1.00 2.44 C ATOM 1390 NH1 ARG A 103 4.557 -3.739 -12.010 1.00 2.64 N ATOM 1391 NH2 ARG A 103 3.333 -1.807 -12.239 1.00 3.34 N ATOM 0 H ARG A 103 1.275 -3.690 -5.880 1.00 0.41 H new ATOM 0 HA ARG A 103 2.619 -4.408 -8.426 1.00 0.50 H new ATOM 0 HB2 ARG A 103 2.833 -2.017 -7.944 1.00 0.65 H new ATOM 0 HB3 ARG A 103 3.361 -2.360 -6.309 1.00 0.65 H new ATOM 0 HG2 ARG A 103 5.275 -1.788 -7.713 1.00 1.12 H new ATOM 0 HG3 ARG A 103 5.401 -3.449 -7.168 1.00 1.12 H new ATOM 0 HD2 ARG A 103 5.983 -3.249 -9.567 1.00 1.27 H new ATOM 0 HD3 ARG A 103 4.580 -4.274 -9.339 1.00 1.27 H new ATOM 0 HE ARG A 103 3.719 -1.566 -9.789 1.00 1.83 H new ATOM 0 HH11 ARG A 103 5.083 -4.388 -11.425 1.00 2.64 H new ATOM 0 HH12 ARG A 103 4.442 -3.928 -13.006 1.00 2.64 H new ATOM 0 HH21 ARG A 103 2.917 -0.969 -11.831 1.00 3.34 H new ATOM 0 HH22 ARG A 103 3.221 -1.999 -13.234 1.00 3.34 H new ATOM 1405 N LYS A 104 3.709 -6.274 -7.225 1.00 0.38 N ATOM 1406 CA LYS A 104 4.445 -7.362 -6.585 1.00 0.39 C ATOM 1407 C LYS A 104 5.934 -7.048 -6.535 1.00 0.37 C ATOM 1408 O LYS A 104 6.646 -7.223 -7.522 1.00 0.46 O ATOM 1409 CB LYS A 104 4.221 -8.675 -7.341 1.00 0.51 C ATOM 1410 CG LYS A 104 2.908 -9.382 -6.979 1.00 0.63 C ATOM 1411 CD LYS A 104 2.918 -9.860 -5.535 1.00 1.06 C ATOM 1412 CE LYS A 104 1.718 -10.744 -5.234 1.00 1.50 C ATOM 1413 NZ LYS A 104 1.690 -11.959 -6.090 1.00 1.91 N ATOM 0 H LYS A 104 3.430 -6.465 -8.187 1.00 0.38 H new ATOM 0 HA LYS A 104 4.073 -7.468 -5.566 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.231 -8.473 -8.412 1.00 0.51 H new ATOM 0 HB3 LYS A 104 5.054 -9.348 -7.136 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.071 -8.701 -7.133 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.754 -10.231 -7.645 1.00 0.63 H new ATOM 0 HD2 LYS A 104 3.837 -10.413 -5.340 1.00 1.06 H new ATOM 0 HD3 LYS A 104 2.915 -9.000 -4.866 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.741 -11.040 -4.185 1.00 1.50 H new ATOM 0 HE3 LYS A 104 0.801 -10.174 -5.385 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 0.995 -12.634 -5.712 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 1.423 -11.694 -7.060 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.632 -12.400 -6.098 1.00 1.91 H new ATOM 1427 N VAL A 105 6.399 -6.589 -5.382 1.00 0.35 N ATOM 1428 CA VAL A 105 7.793 -6.203 -5.215 1.00 0.39 C ATOM 1429 C VAL A 105 8.295 -6.531 -3.820 1.00 0.46 C ATOM 1430 O VAL A 105 7.552 -6.439 -2.846 1.00 0.52 O ATOM 1431 CB VAL A 105 8.013 -4.691 -5.462 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.892 -4.361 -6.935 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.031 -3.859 -4.647 1.00 0.55 C ATOM 0 H VAL A 105 5.828 -6.474 -4.544 1.00 0.35 H new ATOM 0 HA VAL A 105 8.351 -6.774 -5.957 1.00 0.39 H new ATOM 0 HB VAL A 105 9.024 -4.443 -5.138 1.00 0.43 H new ATOM 0 HG11 VAL A 105 8.051 -3.293 -7.083 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.641 -4.920 -7.496 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.897 -4.632 -7.288 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.206 -2.800 -4.838 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.011 -4.116 -4.933 1.00 0.55 H new ATOM 0 HG23 VAL A 105 7.173 -4.065 -3.586 1.00 0.55 H new ATOM 1443 N THR A 106 9.549 -6.932 -3.734 1.00 0.52 N ATOM 1444 CA THR A 106 10.214 -7.047 -2.457 1.00 0.61 C ATOM 1445 C THR A 106 11.652 -6.550 -2.580 1.00 0.58 C ATOM 1446 O THR A 106 12.569 -7.298 -2.923 1.00 0.67 O ATOM 1447 CB THR A 106 10.161 -8.499 -1.926 1.00 0.80 C ATOM 1448 OG1 THR A 106 11.014 -8.659 -0.785 1.00 1.32 O ATOM 1449 CG2 THR A 106 10.537 -9.505 -3.007 1.00 1.64 C ATOM 0 H THR A 106 10.126 -7.183 -4.537 1.00 0.52 H new ATOM 0 HA THR A 106 9.691 -6.424 -1.731 1.00 0.61 H new ATOM 0 HB THR A 106 9.132 -8.695 -1.624 1.00 0.80 H new ATOM 0 HG1 THR A 106 10.481 -8.952 -0.017 1.00 1.32 H new ATOM 0 HG21 THR A 106 10.489 -10.514 -2.598 1.00 1.64 H new ATOM 0 HG22 THR A 106 9.842 -9.419 -3.842 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.550 -9.303 -3.356 1.00 1.64 H new ATOM 1457 N SER A 107 11.815 -5.272 -2.259 1.00 0.50 N ATOM 1458 CA SER A 107 13.083 -4.549 -2.344 1.00 0.51 C ATOM 1459 C SER A 107 12.838 -3.112 -1.895 1.00 0.45 C ATOM 1460 O SER A 107 11.951 -2.441 -2.424 1.00 0.44 O ATOM 1461 CB SER A 107 13.635 -4.537 -3.782 1.00 0.56 C ATOM 1462 OG SER A 107 14.157 -5.796 -4.170 1.00 1.36 O ATOM 0 H SER A 107 11.047 -4.691 -1.922 1.00 0.50 H new ATOM 0 HA SER A 107 13.815 -5.047 -1.709 1.00 0.51 H new ATOM 0 HB2 SER A 107 12.841 -4.248 -4.471 1.00 0.56 H new ATOM 0 HB3 SER A 107 14.417 -3.782 -3.862 1.00 0.56 H new ATOM 0 HG SER A 107 13.865 -6.482 -3.534 1.00 1.36 H new ATOM 1468 N PRO A 108 13.603 -2.631 -0.900 1.00 0.47 N ATOM 1469 CA PRO A 108 13.461 -1.266 -0.373 1.00 0.49 C ATOM 1470 C PRO A 108 13.555 -0.199 -1.461 1.00 0.43 C ATOM 1471 O PRO A 108 12.747 0.725 -1.498 1.00 0.47 O ATOM 1472 CB PRO A 108 14.630 -1.132 0.604 1.00 0.63 C ATOM 1473 CG PRO A 108 14.948 -2.528 1.008 1.00 0.69 C ATOM 1474 CD PRO A 108 14.656 -3.384 -0.192 1.00 0.55 C ATOM 0 HA PRO A 108 12.483 -1.115 0.085 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.487 -0.652 0.132 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.358 -0.523 1.466 1.00 0.63 H new ATOM 0 HG2 PRO A 108 15.992 -2.619 1.307 1.00 0.69 H new ATOM 0 HG3 PRO A 108 14.344 -2.834 1.862 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.541 -3.519 -0.814 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.314 -4.378 0.097 1.00 0.55 H new ATOM 1482 N ASP A 109 14.538 -0.336 -2.348 1.00 0.46 N ATOM 1483 CA ASP A 109 14.738 0.627 -3.429 1.00 0.50 C ATOM 1484 C ASP A 109 13.538 0.651 -4.371 1.00 0.41 C ATOM 1485 O ASP A 109 13.046 1.721 -4.734 1.00 0.44 O ATOM 1486 CB ASP A 109 16.013 0.300 -4.211 1.00 0.64 C ATOM 1487 CG ASP A 109 16.288 1.298 -5.320 1.00 1.56 C ATOM 1488 OD1 ASP A 109 16.090 0.950 -6.501 1.00 2.22 O ATOM 1489 OD2 ASP A 109 16.707 2.434 -5.012 1.00 2.37 O ATOM 0 H ASP A 109 15.209 -1.104 -2.340 1.00 0.46 H new ATOM 0 HA ASP A 109 14.842 1.615 -2.981 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.860 0.281 -3.526 1.00 0.64 H new ATOM 0 HB3 ASP A 109 15.927 -0.699 -4.639 1.00 0.64 H new ATOM 1494 N GLU A 110 13.063 -0.534 -4.744 1.00 0.38 N ATOM 1495 CA GLU A 110 11.898 -0.658 -5.617 1.00 0.38 C ATOM 1496 C GLU A 110 10.675 -0.027 -4.970 1.00 0.36 C ATOM 1497 O GLU A 110 9.918 0.697 -5.617 1.00 0.42 O ATOM 1498 CB GLU A 110 11.610 -2.129 -5.923 1.00 0.43 C ATOM 1499 CG GLU A 110 12.705 -2.817 -6.715 1.00 0.68 C ATOM 1500 CD GLU A 110 12.901 -2.211 -8.086 1.00 1.32 C ATOM 1501 OE1 GLU A 110 13.762 -1.327 -8.233 1.00 2.01 O ATOM 1502 OE2 GLU A 110 12.200 -2.627 -9.031 1.00 2.12 O ATOM 0 H GLU A 110 13.468 -1.425 -4.455 1.00 0.38 H new ATOM 0 HA GLU A 110 12.119 -0.136 -6.548 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.463 -2.663 -4.984 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.675 -2.198 -6.479 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.641 -2.759 -6.159 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.462 -3.874 -6.821 1.00 0.68 H new ATOM 1509 N ALA A 111 10.495 -0.308 -3.686 1.00 0.33 N ATOM 1510 CA ALA A 111 9.375 0.229 -2.933 1.00 0.35 C ATOM 1511 C ALA A 111 9.383 1.751 -2.964 1.00 0.34 C ATOM 1512 O ALA A 111 8.391 2.374 -3.342 1.00 0.41 O ATOM 1513 CB ALA A 111 9.414 -0.276 -1.500 1.00 0.38 C ATOM 0 H ALA A 111 11.116 -0.909 -3.144 1.00 0.33 H new ATOM 0 HA ALA A 111 8.451 -0.114 -3.399 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.569 0.134 -0.947 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.357 -1.364 -1.496 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.344 0.040 -1.028 1.00 0.38 H new ATOM 1519 N LYS A 112 10.517 2.341 -2.594 1.00 0.32 N ATOM 1520 CA LYS A 112 10.651 3.795 -2.569 1.00 0.34 C ATOM 1521 C LYS A 112 10.377 4.389 -3.943 1.00 0.37 C ATOM 1522 O LYS A 112 9.756 5.447 -4.055 1.00 0.42 O ATOM 1523 CB LYS A 112 12.053 4.203 -2.113 1.00 0.40 C ATOM 1524 CG LYS A 112 12.434 3.662 -0.747 1.00 0.48 C ATOM 1525 CD LYS A 112 13.876 3.994 -0.395 1.00 0.62 C ATOM 1526 CE LYS A 112 14.078 5.481 -0.165 1.00 1.11 C ATOM 1527 NZ LYS A 112 15.411 5.762 0.424 1.00 1.51 N ATOM 0 H LYS A 112 11.355 1.835 -2.308 1.00 0.32 H new ATOM 0 HA LYS A 112 9.917 4.180 -1.861 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.780 3.855 -2.847 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.116 5.291 -2.093 1.00 0.40 H new ATOM 0 HG2 LYS A 112 11.769 4.080 0.009 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.295 2.581 -0.731 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.166 3.446 0.502 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.532 3.659 -1.199 1.00 0.62 H new ATOM 0 HE2 LYS A 112 13.977 6.014 -1.110 1.00 1.11 H new ATOM 0 HE3 LYS A 112 13.299 5.857 0.498 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 15.594 6.785 0.397 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 15.431 5.433 1.410 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.144 5.265 -0.122 1.00 1.51 H new ATOM 1541 N ARG A 113 10.841 3.703 -4.983 1.00 0.38 N ATOM 1542 CA ARG A 113 10.649 4.166 -6.350 1.00 0.46 C ATOM 1543 C ARG A 113 9.168 4.345 -6.655 1.00 0.43 C ATOM 1544 O ARG A 113 8.725 5.447 -6.960 1.00 0.50 O ATOM 1545 CB ARG A 113 11.273 3.191 -7.355 1.00 0.57 C ATOM 1546 CG ARG A 113 11.113 3.647 -8.801 1.00 0.77 C ATOM 1547 CD ARG A 113 11.879 2.766 -9.780 1.00 1.01 C ATOM 1548 NE ARG A 113 12.021 3.415 -11.083 1.00 1.68 N ATOM 1549 CZ ARG A 113 12.804 2.969 -12.063 1.00 2.13 C ATOM 1550 NH1 ARG A 113 13.476 1.833 -11.923 1.00 1.97 N ATOM 1551 NH2 ARG A 113 12.906 3.658 -13.193 1.00 2.96 N ATOM 0 H ARG A 113 11.353 2.824 -4.903 1.00 0.38 H new ATOM 0 HA ARG A 113 11.149 5.130 -6.446 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.333 3.075 -7.131 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.813 2.210 -7.236 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.055 3.643 -9.065 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.461 4.676 -8.895 1.00 0.77 H new ATOM 0 HD2 ARG A 113 12.865 2.541 -9.374 1.00 1.01 H new ATOM 0 HD3 ARG A 113 11.359 1.815 -9.900 1.00 1.01 H new ATOM 0 HE ARG A 113 11.484 4.266 -11.252 1.00 1.68 H new ATOM 0 HH11 ARG A 113 13.394 1.295 -11.060 1.00 1.97 H new ATOM 0 HH12 ARG A 113 14.074 1.498 -12.678 1.00 1.97 H new ATOM 0 HH21 ARG A 113 12.385 4.527 -13.309 1.00 2.96 H new ATOM 0 HH22 ARG A 113 13.505 3.318 -13.945 1.00 2.96 H new ATOM 1565 N TRP A 114 8.402 3.264 -6.537 1.00 0.39 N ATOM 1566 CA TRP A 114 6.979 3.292 -6.870 1.00 0.39 C ATOM 1567 C TRP A 114 6.223 4.313 -6.024 1.00 0.40 C ATOM 1568 O TRP A 114 5.341 5.013 -6.524 1.00 0.46 O ATOM 1569 CB TRP A 114 6.357 1.904 -6.703 1.00 0.38 C ATOM 1570 CG TRP A 114 6.830 0.917 -7.727 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.658 -0.148 -7.522 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.508 0.914 -9.123 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.866 -0.816 -8.704 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.171 -0.184 -9.701 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.722 1.733 -9.939 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 7.070 -0.483 -11.058 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 5.623 1.436 -11.284 1.00 1.29 C ATOM 1578 CH2 TRP A 114 6.294 0.335 -11.832 1.00 1.25 C ATOM 0 H TRP A 114 8.741 2.358 -6.214 1.00 0.39 H new ATOM 0 HA TRP A 114 6.895 3.593 -7.914 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.591 1.526 -5.708 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.272 1.990 -6.764 1.00 0.38 H new ATOM 0 HD1 TRP A 114 8.087 -0.425 -6.570 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.444 -1.648 -8.821 1.00 0.40 H new ATOM 0 HE3 TRP A 114 5.201 2.583 -9.525 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 7.586 -1.331 -11.484 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 5.019 2.062 -11.924 1.00 1.29 H new ATOM 0 HH2 TRP A 114 6.196 0.128 -12.887 1.00 1.25 H new ATOM 1589 N ILE A 115 6.583 4.408 -4.751 1.00 0.38 N ATOM 1590 CA ILE A 115 5.955 5.366 -3.852 1.00 0.41 C ATOM 1591 C ILE A 115 6.203 6.798 -4.326 1.00 0.47 C ATOM 1592 O ILE A 115 5.301 7.639 -4.307 1.00 0.55 O ATOM 1593 CB ILE A 115 6.470 5.210 -2.401 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.179 3.800 -1.878 1.00 0.40 C ATOM 1595 CG2 ILE A 115 5.837 6.254 -1.493 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.689 3.553 -0.473 1.00 0.44 C ATOM 0 H ILE A 115 7.306 3.834 -4.318 1.00 0.38 H new ATOM 0 HA ILE A 115 4.885 5.160 -3.864 1.00 0.41 H new ATOM 0 HB ILE A 115 7.549 5.364 -2.402 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.103 3.629 -1.899 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.631 3.072 -2.552 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.212 6.128 -0.477 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.091 7.251 -1.852 1.00 0.45 H new ATOM 0 HG23 ILE A 115 4.754 6.132 -1.498 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.446 2.534 -0.172 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.770 3.691 -0.449 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.218 4.257 0.214 1.00 0.44 H new ATOM 1608 N LYS A 116 7.423 7.068 -4.777 1.00 0.50 N ATOM 1609 CA LYS A 116 7.795 8.406 -5.211 1.00 0.60 C ATOM 1610 C LYS A 116 7.284 8.685 -6.628 1.00 0.57 C ATOM 1611 O LYS A 116 7.151 9.841 -7.033 1.00 0.69 O ATOM 1612 CB LYS A 116 9.313 8.576 -5.149 1.00 0.73 C ATOM 1613 CG LYS A 116 9.787 10.026 -5.167 1.00 1.18 C ATOM 1614 CD LYS A 116 9.483 10.742 -3.852 1.00 1.85 C ATOM 1615 CE LYS A 116 8.187 11.546 -3.906 1.00 2.50 C ATOM 1616 NZ LYS A 116 8.260 12.663 -4.882 1.00 3.13 N ATOM 0 H LYS A 116 8.170 6.377 -4.851 1.00 0.50 H new ATOM 0 HA LYS A 116 7.331 9.126 -4.537 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.683 8.097 -4.243 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.760 8.050 -5.993 1.00 0.73 H new ATOM 0 HG2 LYS A 116 10.860 10.055 -5.356 1.00 1.18 H new ATOM 0 HG3 LYS A 116 9.304 10.555 -5.988 1.00 1.18 H new ATOM 0 HD2 LYS A 116 9.417 10.007 -3.050 1.00 1.85 H new ATOM 0 HD3 LYS A 116 10.310 11.409 -3.606 1.00 1.85 H new ATOM 0 HE2 LYS A 116 7.362 10.885 -4.174 1.00 2.50 H new ATOM 0 HE3 LYS A 116 7.967 11.945 -2.916 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 7.342 13.150 -4.922 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 8.996 13.336 -4.586 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 8.494 12.287 -5.823 1.00 3.13 H new ATOM 1630 N GLU A 117 7.002 7.628 -7.378 1.00 0.53 N ATOM 1631 CA GLU A 117 6.461 7.769 -8.725 1.00 0.58 C ATOM 1632 C GLU A 117 5.006 8.221 -8.680 1.00 0.57 C ATOM 1633 O GLU A 117 4.634 9.211 -9.311 1.00 0.66 O ATOM 1634 CB GLU A 117 6.570 6.451 -9.496 1.00 0.70 C ATOM 1635 CG GLU A 117 7.999 6.039 -9.814 1.00 1.28 C ATOM 1636 CD GLU A 117 8.693 6.998 -10.758 1.00 1.51 C ATOM 1637 OE1 GLU A 117 9.336 7.957 -10.281 1.00 2.14 O ATOM 1638 OE2 GLU A 117 8.615 6.784 -11.985 1.00 1.93 O ATOM 0 H GLU A 117 7.139 6.663 -7.077 1.00 0.53 H new ATOM 0 HA GLU A 117 7.049 8.528 -9.241 1.00 0.58 H new ATOM 0 HB2 GLU A 117 6.095 5.661 -8.914 1.00 0.70 H new ATOM 0 HB3 GLU A 117 6.012 6.540 -10.428 1.00 0.70 H new ATOM 0 HG2 GLU A 117 8.568 5.975 -8.887 1.00 1.28 H new ATOM 0 HG3 GLU A 117 7.995 5.042 -10.255 1.00 1.28 H new ATOM 1645 N PHE A 118 4.194 7.504 -7.908 1.00 0.56 N ATOM 1646 CA PHE A 118 2.760 7.779 -7.830 1.00 0.66 C ATOM 1647 C PHE A 118 2.465 9.106 -7.138 1.00 0.73 C ATOM 1648 O PHE A 118 1.412 9.704 -7.358 1.00 0.88 O ATOM 1649 CB PHE A 118 2.032 6.642 -7.113 1.00 0.73 C ATOM 1650 CG PHE A 118 1.755 5.457 -7.991 1.00 0.69 C ATOM 1651 CD1 PHE A 118 0.513 5.302 -8.584 1.00 1.33 C ATOM 1652 CD2 PHE A 118 2.729 4.500 -8.223 1.00 1.27 C ATOM 1653 CE1 PHE A 118 0.246 4.214 -9.390 1.00 1.57 C ATOM 1654 CE2 PHE A 118 2.468 3.410 -9.029 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.225 3.267 -9.613 1.00 1.41 C ATOM 0 H PHE A 118 4.504 6.726 -7.326 1.00 0.56 H new ATOM 0 HA PHE A 118 2.394 7.852 -8.854 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.630 6.320 -6.260 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.089 7.018 -6.717 1.00 0.73 H new ATOM 0 HD1 PHE A 118 -0.256 6.041 -8.414 1.00 1.33 H new ATOM 0 HD2 PHE A 118 3.703 4.608 -7.769 1.00 1.27 H new ATOM 0 HE1 PHE A 118 -0.727 4.104 -9.845 1.00 1.57 H new ATOM 0 HE2 PHE A 118 3.235 2.670 -9.203 1.00 1.56 H new ATOM 0 HZ PHE A 118 1.019 2.415 -10.244 1.00 1.41 H new ATOM 1665 N SER A 119 3.387 9.569 -6.309 1.00 0.69 N ATOM 1666 CA SER A 119 3.214 10.842 -5.628 1.00 0.80 C ATOM 1667 C SER A 119 3.511 12.006 -6.571 1.00 0.79 C ATOM 1668 O SER A 119 3.143 13.149 -6.301 1.00 0.90 O ATOM 1669 CB SER A 119 4.106 10.900 -4.389 1.00 0.93 C ATOM 1670 OG SER A 119 5.363 10.296 -4.641 1.00 1.20 O ATOM 0 H SER A 119 4.258 9.085 -6.092 1.00 0.69 H new ATOM 0 HA SER A 119 2.175 10.929 -5.310 1.00 0.80 H new ATOM 0 HB2 SER A 119 4.251 11.938 -4.089 1.00 0.93 H new ATOM 0 HB3 SER A 119 3.615 10.393 -3.558 1.00 0.93 H new ATOM 0 HG SER A 119 5.320 9.344 -4.414 1.00 1.20 H new ATOM 1676 N GLU A 120 4.167 11.702 -7.686 1.00 0.81 N ATOM 1677 CA GLU A 120 4.463 12.706 -8.696 1.00 0.96 C ATOM 1678 C GLU A 120 3.677 12.416 -9.967 1.00 1.17 C ATOM 1679 O GLU A 120 4.021 12.897 -11.049 1.00 1.50 O ATOM 1680 CB GLU A 120 5.959 12.738 -9.013 1.00 1.08 C ATOM 1681 CG GLU A 120 6.837 13.031 -7.810 1.00 1.41 C ATOM 1682 CD GLU A 120 6.432 14.295 -7.082 1.00 2.00 C ATOM 1683 OE1 GLU A 120 6.471 15.382 -7.696 1.00 2.45 O ATOM 1684 OE2 GLU A 120 6.089 14.206 -5.884 1.00 2.77 O ATOM 0 H GLU A 120 4.503 10.766 -7.911 1.00 0.81 H new ATOM 0 HA GLU A 120 4.171 13.679 -8.302 1.00 0.96 H new ATOM 0 HB2 GLU A 120 6.251 11.778 -9.438 1.00 1.08 H new ATOM 0 HB3 GLU A 120 6.142 13.494 -9.777 1.00 1.08 H new ATOM 0 HG2 GLU A 120 6.792 12.189 -7.119 1.00 1.41 H new ATOM 0 HG3 GLU A 120 7.873 13.121 -8.136 1.00 1.41 H new ATOM 1691 N GLU A 121 2.630 11.621 -9.828 1.00 1.22 N ATOM 1692 CA GLU A 121 1.802 11.243 -10.958 1.00 1.56 C ATOM 1693 C GLU A 121 0.703 12.278 -11.169 1.00 2.02 C ATOM 1694 O GLU A 121 -0.331 12.208 -10.470 1.00 2.60 O ATOM 1695 CB GLU A 121 1.198 9.855 -10.729 1.00 1.96 C ATOM 1696 CG GLU A 121 0.339 9.360 -11.879 1.00 2.47 C ATOM 1697 CD GLU A 121 -0.375 8.068 -11.552 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -1.345 8.105 -10.766 1.00 4.00 O ATOM 1699 OE2 GLU A 121 0.018 7.011 -12.084 1.00 3.84 O ATOM 1700 OXT GLU A 121 0.885 13.171 -12.023 1.00 2.53 O ATOM 0 H GLU A 121 2.333 11.223 -8.937 1.00 1.22 H new ATOM 0 HA GLU A 121 2.421 11.206 -11.855 1.00 1.56 H new ATOM 0 HB2 GLU A 121 2.005 9.142 -10.558 1.00 1.96 H new ATOM 0 HB3 GLU A 121 0.595 9.877 -9.821 1.00 1.96 H new ATOM 0 HG2 GLU A 121 -0.396 10.123 -12.134 1.00 2.47 H new ATOM 0 HG3 GLU A 121 0.965 9.213 -12.759 1.00 2.47 H new