USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 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 Set 1.1: A 54 THR OG1 : rot 180:sc= 0.869 USER MOD Set 1.2: A 58 LYS NZ :NH3+ -169:sc= 2.69 (180deg=1.95) USER MOD Set 2.1: A 30 ASN : amide:sc= 0.33 K(o=0.7,f=-0.93) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -159:sc= 0.366 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.26 USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -1.1 (180deg=-1.37!) USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= -0.0121 (180deg=-0.134) USER MOD Single : A 41 MET CE :methyl 167:sc= 0 (180deg=-0.215) USER MOD Single : A 44 LYS NZ :NH3+ -173:sc=-0.00415 (180deg=-0.0698) USER MOD Single : A 46 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= 1.3 (180deg=1.19) USER MOD Single : A 65 SER OG : rot 95:sc= 1.26 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 65:sc= 0.318 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= -0.953 (180deg=-1.56) USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= -0.015 (180deg=-0.136) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc=-0.00345 (180deg=-0.0946) USER MOD Single : A 92 LYS NZ :NH3+ 170:sc= 2.39 (180deg=1.71) USER MOD Single : A 95 LYS NZ :NH3+ -171:sc= -0.0171 (180deg=-0.14) USER MOD Single : A 96 LYS NZ :NH3+ -177:sc= 2.42 (180deg=2.22) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -0.024 (180deg=-0.245) USER MOD Single : A 106 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 107 SER OG : rot 180:sc= 0.00841 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.22) USER MOD Single : A 119 SER OG : rot 82:sc= 0.577 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -3.949 12.859 -3.466 1.00 1.16 N ATOM 2 CA GLY A 22 -4.773 11.713 -3.014 1.00 1.05 C ATOM 3 C GLY A 22 -4.070 10.389 -3.223 1.00 0.87 C ATOM 4 O GLY A 22 -4.333 9.690 -4.202 1.00 0.89 O ATOM 0 HA2 GLY A 22 -5.012 11.833 -1.957 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -5.718 11.711 -3.556 1.00 1.05 H new ATOM 7 N LEU A 23 -3.183 10.038 -2.302 1.00 0.75 N ATOM 8 CA LEU A 23 -2.429 8.797 -2.404 1.00 0.62 C ATOM 9 C LEU A 23 -2.475 8.008 -1.102 1.00 0.51 C ATOM 10 O LEU A 23 -2.101 8.515 -0.042 1.00 0.59 O ATOM 11 CB LEU A 23 -0.973 9.086 -2.762 1.00 0.75 C ATOM 12 CG LEU A 23 -0.738 9.644 -4.163 1.00 1.22 C ATOM 13 CD1 LEU A 23 0.715 10.050 -4.324 1.00 1.78 C ATOM 14 CD2 LEU A 23 -1.125 8.619 -5.219 1.00 1.91 C ATOM 0 H LEU A 23 -2.968 10.596 -1.475 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.891 8.200 -3.191 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.572 9.794 -2.036 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.401 8.164 -2.657 1.00 0.75 H new ATOM 0 HG LEU A 23 -1.365 10.525 -4.298 1.00 1.22 H new ATOM 0 HD11 LEU A 23 0.873 10.447 -5.327 1.00 1.78 H new ATOM 0 HD12 LEU A 23 0.963 10.815 -3.588 1.00 1.78 H new ATOM 0 HD13 LEU A 23 1.355 9.180 -4.173 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -0.950 9.035 -6.211 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -0.522 7.720 -5.091 1.00 1.91 H new ATOM 0 HD23 LEU A 23 -2.180 8.367 -5.112 1.00 1.91 H new ATOM 26 N LEU A 24 -2.945 6.775 -1.187 1.00 0.40 N ATOM 27 CA LEU A 24 -2.896 5.861 -0.061 1.00 0.39 C ATOM 28 C LEU A 24 -1.932 4.731 -0.383 1.00 0.38 C ATOM 29 O LEU A 24 -2.118 4.016 -1.367 1.00 0.50 O ATOM 30 CB LEU A 24 -4.287 5.298 0.243 1.00 0.44 C ATOM 31 CG LEU A 24 -4.356 4.332 1.428 1.00 0.50 C ATOM 32 CD1 LEU A 24 -4.092 5.058 2.738 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.705 3.637 1.470 1.00 1.24 C ATOM 0 H LEU A 24 -3.367 6.383 -2.029 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.551 6.399 0.822 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.964 6.130 0.434 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.655 4.785 -0.645 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.580 3.578 1.295 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -4.147 4.349 3.564 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -3.100 5.508 2.711 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -4.840 5.838 2.879 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.736 2.954 2.319 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.495 4.381 1.574 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.854 3.076 0.547 1.00 1.24 H new ATOM 45 N VAL A 25 -0.898 4.583 0.427 1.00 0.37 N ATOM 46 CA VAL A 25 0.122 3.577 0.177 1.00 0.40 C ATOM 47 C VAL A 25 -0.013 2.421 1.160 1.00 0.42 C ATOM 48 O VAL A 25 0.358 2.530 2.325 1.00 0.56 O ATOM 49 CB VAL A 25 1.545 4.171 0.275 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.593 3.119 -0.060 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.687 5.380 -0.640 1.00 0.84 C ATOM 0 H VAL A 25 -0.742 5.146 1.263 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.029 3.211 -0.839 1.00 0.40 H new ATOM 0 HB VAL A 25 1.707 4.498 1.302 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.587 3.559 0.015 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.510 2.287 0.640 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.433 2.756 -1.075 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.696 5.783 -0.556 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.501 5.080 -1.671 1.00 0.84 H new ATOM 0 HG23 VAL A 25 0.966 6.144 -0.349 1.00 0.84 H new ATOM 61 N LEU A 26 -0.561 1.318 0.692 1.00 0.46 N ATOM 62 CA LEU A 26 -0.700 0.132 1.513 1.00 0.57 C ATOM 63 C LEU A 26 0.439 -0.823 1.213 1.00 0.51 C ATOM 64 O LEU A 26 0.863 -0.948 0.066 1.00 0.58 O ATOM 65 CB LEU A 26 -2.041 -0.549 1.245 1.00 0.75 C ATOM 66 CG LEU A 26 -3.266 0.351 1.397 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.534 -0.423 1.096 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.330 0.942 2.792 1.00 1.00 C ATOM 0 H LEU A 26 -0.919 1.218 -0.258 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.666 0.420 2.564 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.030 -0.953 0.233 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.144 -1.395 1.925 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.178 1.168 0.681 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.397 0.234 1.209 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.496 -0.800 0.074 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.622 -1.260 1.788 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.210 1.579 2.877 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.392 0.138 3.525 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.434 1.534 2.978 1.00 1.00 H new ATOM 80 N ILE A 27 0.944 -1.487 2.233 1.00 0.50 N ATOM 81 CA ILE A 27 2.079 -2.370 2.050 1.00 0.49 C ATOM 82 C ILE A 27 1.996 -3.578 2.971 1.00 0.51 C ATOM 83 O ILE A 27 1.575 -3.474 4.126 1.00 0.72 O ATOM 84 CB ILE A 27 3.409 -1.613 2.287 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.612 -2.531 2.049 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.452 -1.029 3.694 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.945 -1.826 2.169 1.00 0.96 C ATOM 0 H ILE A 27 0.591 -1.434 3.188 1.00 0.50 H new ATOM 0 HA ILE A 27 2.054 -2.724 1.019 1.00 0.49 H new ATOM 0 HB ILE A 27 3.462 -0.793 1.571 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.579 -3.352 2.765 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.531 -2.971 1.055 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.394 -0.501 3.840 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.623 -0.334 3.825 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.370 -1.834 4.425 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.751 -2.538 1.988 1.00 0.96 H new ATOM 0 HD12 ILE A 27 5.999 -1.022 1.435 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.047 -1.409 3.171 1.00 0.96 H new ATOM 99 N TRP A 28 2.371 -4.732 2.443 1.00 0.45 N ATOM 100 CA TRP A 28 2.498 -5.926 3.252 1.00 0.48 C ATOM 101 C TRP A 28 3.717 -6.711 2.789 1.00 0.48 C ATOM 102 O TRP A 28 3.672 -7.447 1.802 1.00 0.49 O ATOM 103 CB TRP A 28 1.228 -6.778 3.150 1.00 0.56 C ATOM 104 CG TRP A 28 1.159 -7.895 4.150 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.601 -7.842 5.395 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.653 -9.233 3.988 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.718 -9.060 6.017 1.00 2.09 N ATOM 108 CE2 TRP A 28 1.364 -9.930 5.176 1.00 1.83 C ATOM 109 CE3 TRP A 28 2.315 -9.909 2.959 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.709 -11.266 5.359 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.660 -11.233 3.142 1.00 1.61 C ATOM 112 CH2 TRP A 28 2.357 -11.899 4.335 1.00 2.06 C ATOM 0 H TRP A 28 2.592 -4.864 1.456 1.00 0.45 H new ATOM 0 HA TRP A 28 2.628 -5.648 4.298 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.359 -6.133 3.281 1.00 0.56 H new ATOM 0 HB3 TRP A 28 1.165 -7.198 2.146 1.00 0.56 H new ATOM 0 HD1 TRP A 28 0.135 -6.969 5.827 1.00 1.53 H new ATOM 0 HE1 TRP A 28 0.379 -9.282 6.953 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.553 -9.403 2.035 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 1.473 -11.784 6.277 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.172 -11.763 2.352 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.641 -12.935 4.449 1.00 2.06 H new ATOM 123 N SER A 29 4.823 -6.482 3.467 1.00 0.50 N ATOM 124 CA SER A 29 6.046 -7.229 3.246 1.00 0.54 C ATOM 125 C SER A 29 6.762 -7.381 4.575 1.00 0.60 C ATOM 126 O SER A 29 7.180 -6.378 5.151 1.00 0.87 O ATOM 127 CB SER A 29 6.940 -6.487 2.251 1.00 0.57 C ATOM 128 OG SER A 29 6.213 -6.121 1.090 1.00 1.29 O ATOM 0 H SER A 29 4.900 -5.768 4.191 1.00 0.50 H new ATOM 0 HA SER A 29 5.814 -8.211 2.834 1.00 0.54 H new ATOM 0 HB2 SER A 29 7.353 -5.595 2.722 1.00 0.57 H new ATOM 0 HB3 SER A 29 7.783 -7.119 1.972 1.00 0.57 H new ATOM 0 HG SER A 29 6.805 -5.647 0.469 1.00 1.29 H new ATOM 134 N ASN A 30 6.905 -8.593 5.092 1.00 0.65 N ATOM 135 CA ASN A 30 7.576 -8.730 6.376 1.00 0.69 C ATOM 136 C ASN A 30 9.084 -8.759 6.168 1.00 0.68 C ATOM 137 O ASN A 30 9.741 -9.794 6.298 1.00 0.75 O ATOM 138 CB ASN A 30 7.109 -9.994 7.105 1.00 0.81 C ATOM 139 CG ASN A 30 7.669 -10.095 8.515 1.00 1.55 C ATOM 140 OD1 ASN A 30 7.936 -9.085 9.170 1.00 2.33 O ATOM 141 ND2 ASN A 30 7.856 -11.315 8.989 1.00 2.23 N ATOM 0 H ASN A 30 6.581 -9.461 4.665 1.00 0.65 H new ATOM 0 HA ASN A 30 7.319 -7.872 6.997 1.00 0.69 H new ATOM 0 HB2 ASN A 30 6.020 -10.002 7.149 1.00 0.81 H new ATOM 0 HB3 ASN A 30 7.412 -10.872 6.534 1.00 0.81 H new ATOM 0 HD21 ASN A 30 8.234 -11.445 9.928 1.00 2.23 H new ATOM 0 HD22 ASN A 30 7.623 -12.126 8.416 1.00 2.23 H new ATOM 148 N ASP A 31 9.611 -7.604 5.803 1.00 0.63 N ATOM 149 CA ASP A 31 11.038 -7.352 5.791 1.00 0.64 C ATOM 150 C ASP A 31 11.325 -6.215 6.755 1.00 0.65 C ATOM 151 O ASP A 31 10.570 -5.247 6.809 1.00 0.78 O ATOM 152 CB ASP A 31 11.513 -7.002 4.383 1.00 0.67 C ATOM 153 CG ASP A 31 13.023 -6.918 4.290 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.656 -7.942 3.966 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.586 -5.835 4.549 1.00 1.13 O ATOM 0 H ASP A 31 9.052 -6.806 5.503 1.00 0.63 H new ATOM 0 HA ASP A 31 11.577 -8.247 6.101 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.149 -7.753 3.682 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.079 -6.048 4.082 1.00 0.67 H new ATOM 160 N LYS A 32 12.407 -6.315 7.505 1.00 0.69 N ATOM 161 CA LYS A 32 12.698 -5.318 8.527 1.00 0.77 C ATOM 162 C LYS A 32 13.226 -4.026 7.912 1.00 0.71 C ATOM 163 O LYS A 32 12.979 -2.938 8.430 1.00 0.77 O ATOM 164 CB LYS A 32 13.696 -5.867 9.549 1.00 0.97 C ATOM 165 CG LYS A 32 13.203 -7.089 10.322 1.00 1.52 C ATOM 166 CD LYS A 32 11.876 -6.836 11.032 1.00 2.06 C ATOM 167 CE LYS A 32 10.688 -7.288 10.192 1.00 2.28 C ATOM 168 NZ LYS A 32 9.389 -7.018 10.860 1.00 3.05 N ATOM 0 H LYS A 32 13.093 -7.066 7.430 1.00 0.69 H new ATOM 0 HA LYS A 32 11.763 -5.089 9.038 1.00 0.77 H new ATOM 0 HB2 LYS A 32 14.620 -6.128 9.032 1.00 0.97 H new ATOM 0 HB3 LYS A 32 13.940 -5.078 10.260 1.00 0.97 H new ATOM 0 HG2 LYS A 32 13.090 -7.928 9.635 1.00 1.52 H new ATOM 0 HG3 LYS A 32 13.955 -7.378 11.056 1.00 1.52 H new ATOM 0 HD2 LYS A 32 11.868 -7.364 11.986 1.00 2.06 H new ATOM 0 HD3 LYS A 32 11.780 -5.773 11.255 1.00 2.06 H new ATOM 0 HE2 LYS A 32 10.712 -6.778 9.229 1.00 2.28 H new ATOM 0 HE3 LYS A 32 10.775 -8.355 9.989 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 8.655 -7.633 10.454 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 9.476 -7.209 11.879 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 9.125 -6.023 10.716 1.00 3.05 H new ATOM 182 N LYS A 33 13.938 -4.140 6.801 1.00 0.71 N ATOM 183 CA LYS A 33 14.516 -2.970 6.157 1.00 0.75 C ATOM 184 C LYS A 33 13.560 -2.380 5.136 1.00 0.64 C ATOM 185 O LYS A 33 13.448 -1.165 5.027 1.00 0.63 O ATOM 186 CB LYS A 33 15.849 -3.311 5.489 1.00 0.94 C ATOM 187 CG LYS A 33 16.973 -3.598 6.473 1.00 1.55 C ATOM 188 CD LYS A 33 17.363 -2.363 7.284 1.00 2.09 C ATOM 189 CE LYS A 33 18.347 -1.460 6.543 1.00 2.72 C ATOM 190 NZ LYS A 33 17.758 -0.809 5.339 1.00 3.16 N ATOM 0 H LYS A 33 14.129 -5.024 6.329 1.00 0.71 H new ATOM 0 HA LYS A 33 14.697 -2.227 6.933 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.711 -4.180 4.846 1.00 0.94 H new ATOM 0 HB3 LYS A 33 16.145 -2.482 4.845 1.00 0.94 H new ATOM 0 HG2 LYS A 33 16.665 -4.393 7.152 1.00 1.55 H new ATOM 0 HG3 LYS A 33 17.844 -3.963 5.929 1.00 1.55 H new ATOM 0 HD2 LYS A 33 16.466 -1.794 7.527 1.00 2.09 H new ATOM 0 HD3 LYS A 33 17.806 -2.678 8.229 1.00 2.09 H new ATOM 0 HE2 LYS A 33 18.706 -0.689 7.225 1.00 2.72 H new ATOM 0 HE3 LYS A 33 19.214 -2.049 6.242 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 18.398 -0.062 5.000 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 17.626 -1.519 4.590 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 16.838 -0.391 5.585 1.00 3.16 H new ATOM 204 N LEU A 34 12.874 -3.245 4.396 1.00 0.62 N ATOM 205 CA LEU A 34 11.950 -2.809 3.352 1.00 0.61 C ATOM 206 C LEU A 34 10.948 -1.808 3.924 1.00 0.54 C ATOM 207 O LEU A 34 10.762 -0.722 3.376 1.00 0.61 O ATOM 208 CB LEU A 34 11.226 -4.034 2.748 1.00 0.66 C ATOM 209 CG LEU A 34 10.539 -3.867 1.374 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.058 -5.218 0.866 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.365 -2.903 1.449 1.00 1.59 C ATOM 0 H LEU A 34 12.940 -4.258 4.500 1.00 0.62 H new ATOM 0 HA LEU A 34 12.509 -2.314 2.558 1.00 0.61 H new ATOM 0 HB2 LEU A 34 11.952 -4.842 2.662 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.470 -4.360 3.462 1.00 0.66 H new ATOM 0 HG LEU A 34 11.274 -3.453 0.683 1.00 0.80 H new ATOM 0 HD11 LEU A 34 9.575 -5.091 -0.103 1.00 1.22 H new ATOM 0 HD12 LEU A 34 10.909 -5.892 0.762 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.345 -5.640 1.574 1.00 1.22 H new ATOM 0 HD21 LEU A 34 8.907 -2.811 0.464 1.00 1.59 H new ATOM 0 HD22 LEU A 34 8.629 -3.281 2.158 1.00 1.59 H new ATOM 0 HD23 LEU A 34 9.717 -1.926 1.778 1.00 1.59 H new ATOM 223 N ILE A 35 10.336 -2.167 5.046 1.00 0.48 N ATOM 224 CA ILE A 35 9.367 -1.298 5.696 1.00 0.49 C ATOM 225 C ILE A 35 10.026 -0.005 6.173 1.00 0.48 C ATOM 226 O ILE A 35 9.490 1.086 5.968 1.00 0.53 O ATOM 227 CB ILE A 35 8.686 -2.009 6.884 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.946 -3.253 6.386 1.00 0.61 C ATOM 229 CG2 ILE A 35 7.728 -1.064 7.601 1.00 0.64 C ATOM 230 CD1 ILE A 35 7.292 -4.057 7.486 1.00 1.01 C ATOM 0 H ILE A 35 10.495 -3.054 5.523 1.00 0.48 H new ATOM 0 HA ILE A 35 8.604 -1.052 4.957 1.00 0.49 H new ATOM 0 HB ILE A 35 9.451 -2.315 7.597 1.00 0.55 H new ATOM 0 HG12 ILE A 35 7.183 -2.948 5.670 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.648 -3.892 5.851 1.00 0.61 H new ATOM 0 HG21 ILE A 35 7.259 -1.586 8.435 1.00 0.64 H new ATOM 0 HG22 ILE A 35 8.280 -0.202 7.976 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.960 -0.728 6.905 1.00 0.64 H new ATOM 0 HD11 ILE A 35 6.788 -4.922 7.054 1.00 1.01 H new ATOM 0 HD12 ILE A 35 8.052 -4.394 8.191 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.564 -3.436 8.007 1.00 1.01 H new ATOM 242 N GLU A 36 11.201 -0.130 6.787 1.00 0.50 N ATOM 243 CA GLU A 36 11.928 1.033 7.288 1.00 0.53 C ATOM 244 C GLU A 36 12.302 2.000 6.165 1.00 0.48 C ATOM 245 O GLU A 36 12.289 3.217 6.356 1.00 0.51 O ATOM 246 CB GLU A 36 13.183 0.598 8.044 1.00 0.66 C ATOM 247 CG GLU A 36 12.891 0.079 9.440 1.00 1.22 C ATOM 248 CD GLU A 36 12.170 1.103 10.292 1.00 1.73 C ATOM 249 OE1 GLU A 36 10.943 0.975 10.471 1.00 2.62 O ATOM 250 OE2 GLU A 36 12.825 2.050 10.773 1.00 2.01 O ATOM 0 H GLU A 36 11.668 -1.022 6.949 1.00 0.50 H new ATOM 0 HA GLU A 36 11.262 1.559 7.972 1.00 0.53 H new ATOM 0 HB2 GLU A 36 13.692 -0.179 7.474 1.00 0.66 H new ATOM 0 HB3 GLU A 36 13.868 1.443 8.114 1.00 0.66 H new ATOM 0 HG2 GLU A 36 12.285 -0.825 9.371 1.00 1.22 H new ATOM 0 HG3 GLU A 36 13.826 -0.201 9.925 1.00 1.22 H new ATOM 257 N GLU A 37 12.630 1.464 5.001 1.00 0.48 N ATOM 258 CA GLU A 37 13.003 2.296 3.867 1.00 0.51 C ATOM 259 C GLU A 37 11.767 2.891 3.200 1.00 0.44 C ATOM 260 O GLU A 37 11.783 4.039 2.752 1.00 0.48 O ATOM 261 CB GLU A 37 13.812 1.494 2.845 1.00 0.65 C ATOM 262 CG GLU A 37 15.065 0.845 3.417 1.00 0.80 C ATOM 263 CD GLU A 37 15.899 1.799 4.248 1.00 0.91 C ATOM 264 OE1 GLU A 37 16.238 1.448 5.401 1.00 1.61 O ATOM 265 OE2 GLU A 37 16.218 2.900 3.761 1.00 1.55 O ATOM 0 H GLU A 37 12.646 0.461 4.816 1.00 0.48 H new ATOM 0 HA GLU A 37 13.623 3.110 4.243 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.175 0.718 2.421 1.00 0.65 H new ATOM 0 HB3 GLU A 37 14.099 2.154 2.026 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.777 -0.008 4.032 1.00 0.80 H new ATOM 0 HG3 GLU A 37 15.673 0.458 2.599 1.00 0.80 H new ATOM 272 N ALA A 38 10.695 2.109 3.143 1.00 0.40 N ATOM 273 CA ALA A 38 9.454 2.556 2.522 1.00 0.42 C ATOM 274 C ALA A 38 8.799 3.669 3.332 1.00 0.39 C ATOM 275 O ALA A 38 8.306 4.648 2.770 1.00 0.42 O ATOM 276 CB ALA A 38 8.491 1.391 2.348 1.00 0.50 C ATOM 0 H ALA A 38 10.660 1.162 3.520 1.00 0.40 H new ATOM 0 HA ALA A 38 9.701 2.955 1.538 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.571 1.746 1.883 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.949 0.632 1.714 1.00 0.50 H new ATOM 0 HB3 ALA A 38 8.262 0.960 3.322 1.00 0.50 H new ATOM 282 N ARG A 39 8.809 3.523 4.656 1.00 0.41 N ATOM 283 CA ARG A 39 8.215 4.524 5.538 1.00 0.50 C ATOM 284 C ARG A 39 8.950 5.856 5.411 1.00 0.46 C ATOM 285 O ARG A 39 8.366 6.916 5.623 1.00 0.52 O ATOM 286 CB ARG A 39 8.217 4.047 6.998 1.00 0.62 C ATOM 287 CG ARG A 39 9.607 3.884 7.592 1.00 1.18 C ATOM 288 CD ARG A 39 9.568 3.269 8.983 1.00 1.43 C ATOM 289 NE ARG A 39 8.923 4.140 9.964 1.00 1.88 N ATOM 290 CZ ARG A 39 8.927 3.913 11.279 1.00 2.58 C ATOM 291 NH1 ARG A 39 9.549 2.850 11.777 1.00 2.84 N ATOM 292 NH2 ARG A 39 8.310 4.755 12.097 1.00 3.48 N ATOM 0 H ARG A 39 9.220 2.724 5.139 1.00 0.41 H new ATOM 0 HA ARG A 39 7.179 4.668 5.231 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.655 4.759 7.603 1.00 0.62 H new ATOM 0 HB3 ARG A 39 7.693 3.093 7.059 1.00 0.62 H new ATOM 0 HG2 ARG A 39 10.210 3.256 6.936 1.00 1.18 H new ATOM 0 HG3 ARG A 39 10.096 4.857 7.640 1.00 1.18 H new ATOM 0 HD2 ARG A 39 9.036 2.318 8.941 1.00 1.43 H new ATOM 0 HD3 ARG A 39 10.585 3.051 9.309 1.00 1.43 H new ATOM 0 HE ARG A 39 8.441 4.971 9.623 1.00 1.88 H new ATOM 0 HH11 ARG A 39 10.028 2.201 11.153 1.00 2.84 H new ATOM 0 HH12 ARG A 39 9.548 2.683 12.783 1.00 2.84 H new ATOM 0 HH21 ARG A 39 7.833 5.575 11.721 1.00 3.48 H new ATOM 0 HH22 ARG A 39 8.312 4.583 13.102 1.00 3.48 H new ATOM 306 N LYS A 40 10.231 5.794 5.049 1.00 0.45 N ATOM 307 CA LYS A 40 11.019 7.000 4.820 1.00 0.49 C ATOM 308 C LYS A 40 10.421 7.827 3.691 1.00 0.42 C ATOM 309 O LYS A 40 10.192 9.022 3.844 1.00 0.47 O ATOM 310 CB LYS A 40 12.471 6.653 4.485 1.00 0.62 C ATOM 311 CG LYS A 40 13.264 6.096 5.654 1.00 1.06 C ATOM 312 CD LYS A 40 13.358 7.100 6.791 1.00 1.58 C ATOM 313 CE LYS A 40 14.264 6.599 7.902 1.00 2.12 C ATOM 314 NZ LYS A 40 13.794 5.310 8.471 1.00 2.95 N ATOM 0 H LYS A 40 10.742 4.923 4.909 1.00 0.45 H new ATOM 0 HA LYS A 40 11.001 7.584 5.740 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.481 5.925 3.674 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.971 7.548 4.115 1.00 0.62 H new ATOM 0 HG2 LYS A 40 12.792 5.181 6.013 1.00 1.06 H new ATOM 0 HG3 LYS A 40 14.266 5.827 5.320 1.00 1.06 H new ATOM 0 HD2 LYS A 40 13.738 8.048 6.410 1.00 1.58 H new ATOM 0 HD3 LYS A 40 12.362 7.293 7.191 1.00 1.58 H new ATOM 0 HE2 LYS A 40 15.276 6.476 7.516 1.00 2.12 H new ATOM 0 HE3 LYS A 40 14.313 7.347 8.693 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 14.349 5.083 9.321 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 12.788 5.389 8.725 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 13.915 4.555 7.766 1.00 2.95 H new ATOM 328 N MET A 41 10.157 7.181 2.562 1.00 0.39 N ATOM 329 CA MET A 41 9.612 7.874 1.398 1.00 0.41 C ATOM 330 C MET A 41 8.168 8.292 1.637 1.00 0.42 C ATOM 331 O MET A 41 7.752 9.377 1.226 1.00 0.52 O ATOM 332 CB MET A 41 9.710 6.999 0.148 1.00 0.48 C ATOM 333 CG MET A 41 11.124 6.875 -0.395 1.00 0.69 C ATOM 334 SD MET A 41 11.842 8.476 -0.815 1.00 1.10 S ATOM 335 CE MET A 41 13.421 7.975 -1.496 1.00 1.55 C ATOM 0 H MET A 41 10.310 6.182 2.426 1.00 0.39 H new ATOM 0 HA MET A 41 10.207 8.773 1.239 1.00 0.41 H new ATOM 0 HB2 MET A 41 9.330 6.004 0.380 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.066 7.414 -0.628 1.00 0.48 H new ATOM 0 HG2 MET A 41 11.753 6.381 0.346 1.00 0.69 H new ATOM 0 HG3 MET A 41 11.116 6.240 -1.281 1.00 0.69 H new ATOM 0 HE1 MET A 41 13.881 8.820 -2.008 1.00 1.55 H new ATOM 0 HE2 MET A 41 14.074 7.639 -0.691 1.00 1.55 H new ATOM 0 HE3 MET A 41 13.270 7.160 -2.204 1.00 1.55 H new ATOM 345 N ALA A 42 7.411 7.436 2.312 1.00 0.40 N ATOM 346 CA ALA A 42 6.020 7.729 2.621 1.00 0.49 C ATOM 347 C ALA A 42 5.910 8.958 3.517 1.00 0.51 C ATOM 348 O ALA A 42 5.111 9.856 3.256 1.00 0.59 O ATOM 349 CB ALA A 42 5.355 6.525 3.273 1.00 0.58 C ATOM 0 H ALA A 42 7.739 6.533 2.655 1.00 0.40 H new ATOM 0 HA ALA A 42 5.501 7.946 1.688 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.315 6.761 3.498 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.395 5.674 2.593 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.878 6.276 4.196 1.00 0.58 H new ATOM 355 N GLU A 43 6.730 9.006 4.561 1.00 0.50 N ATOM 356 CA GLU A 43 6.728 10.133 5.485 1.00 0.60 C ATOM 357 C GLU A 43 7.295 11.374 4.797 1.00 0.62 C ATOM 358 O GLU A 43 6.822 12.491 5.009 1.00 0.73 O ATOM 359 CB GLU A 43 7.556 9.794 6.726 1.00 0.67 C ATOM 360 CG GLU A 43 7.295 10.706 7.912 1.00 0.97 C ATOM 361 CD GLU A 43 5.887 10.570 8.453 1.00 1.62 C ATOM 362 OE1 GLU A 43 5.631 9.624 9.230 1.00 2.16 O ATOM 363 OE2 GLU A 43 5.029 11.412 8.115 1.00 2.38 O ATOM 0 H GLU A 43 7.405 8.276 4.788 1.00 0.50 H new ATOM 0 HA GLU A 43 5.702 10.338 5.792 1.00 0.60 H new ATOM 0 HB2 GLU A 43 7.347 8.765 7.019 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.614 9.844 6.469 1.00 0.67 H new ATOM 0 HG2 GLU A 43 8.008 10.478 8.704 1.00 0.97 H new ATOM 0 HG3 GLU A 43 7.468 11.740 7.615 1.00 0.97 H new ATOM 370 N LYS A 44 8.303 11.156 3.955 1.00 0.58 N ATOM 371 CA LYS A 44 8.948 12.229 3.204 1.00 0.66 C ATOM 372 C LYS A 44 7.945 12.943 2.302 1.00 0.66 C ATOM 373 O LYS A 44 7.864 14.172 2.295 1.00 0.70 O ATOM 374 CB LYS A 44 10.087 11.647 2.362 1.00 0.76 C ATOM 375 CG LYS A 44 10.927 12.687 1.634 1.00 1.29 C ATOM 376 CD LYS A 44 11.945 12.031 0.709 1.00 1.69 C ATOM 377 CE LYS A 44 12.929 11.145 1.467 1.00 2.09 C ATOM 378 NZ LYS A 44 13.755 11.917 2.437 1.00 2.20 N ATOM 0 H LYS A 44 8.695 10.232 3.775 1.00 0.58 H new ATOM 0 HA LYS A 44 9.348 12.958 3.909 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.738 11.061 3.010 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.665 10.960 1.628 1.00 0.76 H new ATOM 0 HG2 LYS A 44 10.276 13.342 1.055 1.00 1.29 H new ATOM 0 HG3 LYS A 44 11.444 13.313 2.361 1.00 1.29 H new ATOM 0 HD2 LYS A 44 11.422 11.433 -0.038 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.495 12.803 0.171 1.00 1.69 H new ATOM 0 HE2 LYS A 44 12.380 10.368 1.999 1.00 2.09 H new ATOM 0 HE3 LYS A 44 13.584 10.642 0.755 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 14.486 11.297 2.840 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 14.208 12.715 1.949 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 13.148 12.278 3.200 1.00 2.20 H new ATOM 392 N ALA A 45 7.172 12.164 1.557 1.00 0.67 N ATOM 393 CA ALA A 45 6.201 12.720 0.624 1.00 0.74 C ATOM 394 C ALA A 45 4.876 13.032 1.317 1.00 0.73 C ATOM 395 O ALA A 45 3.953 13.569 0.703 1.00 0.81 O ATOM 396 CB ALA A 45 5.989 11.764 -0.539 1.00 0.82 C ATOM 0 H ALA A 45 7.199 11.145 1.581 1.00 0.67 H new ATOM 0 HA ALA A 45 6.598 13.660 0.240 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.262 12.188 -1.231 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.935 11.607 -1.058 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.619 10.810 -0.163 1.00 0.82 H new ATOM 402 N ASN A 46 4.809 12.701 2.606 1.00 0.69 N ATOM 403 CA ASN A 46 3.632 12.964 3.439 1.00 0.72 C ATOM 404 C ASN A 46 2.435 12.141 2.960 1.00 0.67 C ATOM 405 O ASN A 46 1.299 12.619 2.916 1.00 0.84 O ATOM 406 CB ASN A 46 3.301 14.465 3.450 1.00 0.87 C ATOM 407 CG ASN A 46 2.293 14.842 4.523 1.00 1.46 C ATOM 408 OD1 ASN A 46 2.228 14.217 5.584 1.00 2.13 O ATOM 409 ND2 ASN A 46 1.501 15.868 4.256 1.00 2.13 N ATOM 0 H ASN A 46 5.571 12.242 3.105 1.00 0.69 H new ATOM 0 HA ASN A 46 3.860 12.661 4.461 1.00 0.72 H new ATOM 0 HB2 ASN A 46 4.218 15.033 3.605 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.910 14.752 2.474 1.00 0.87 H new ATOM 0 HD21 ASN A 46 0.806 16.167 4.940 1.00 2.13 H new ATOM 0 HD22 ASN A 46 1.586 16.360 3.366 1.00 2.13 H new ATOM 416 N LEU A 47 2.702 10.892 2.610 1.00 0.51 N ATOM 417 CA LEU A 47 1.664 9.981 2.146 1.00 0.51 C ATOM 418 C LEU A 47 1.248 9.059 3.283 1.00 0.46 C ATOM 419 O LEU A 47 2.053 8.761 4.165 1.00 0.56 O ATOM 420 CB LEU A 47 2.171 9.137 0.971 1.00 0.58 C ATOM 421 CG LEU A 47 2.827 9.919 -0.171 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.263 8.977 -1.283 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.886 10.984 -0.713 1.00 1.18 C ATOM 0 H LEU A 47 3.636 10.483 2.639 1.00 0.51 H new ATOM 0 HA LEU A 47 0.809 10.571 1.814 1.00 0.51 H new ATOM 0 HB2 LEU A 47 2.891 8.412 1.351 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.333 8.571 0.565 1.00 0.58 H new ATOM 0 HG LEU A 47 3.711 10.418 0.226 1.00 0.69 H new ATOM 0 HD11 LEU A 47 3.727 9.551 -2.085 1.00 1.00 H new ATOM 0 HD12 LEU A 47 3.981 8.258 -0.890 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.394 8.446 -1.672 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.376 11.525 -1.523 1.00 1.18 H new ATOM 0 HD22 LEU A 47 0.979 10.511 -1.089 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.627 11.681 0.084 1.00 1.18 H new ATOM 435 N TYR A 48 0.003 8.612 3.268 1.00 0.49 N ATOM 436 CA TYR A 48 -0.484 7.714 4.305 1.00 0.54 C ATOM 437 C TYR A 48 -0.191 6.267 3.938 1.00 0.46 C ATOM 438 O TYR A 48 -0.715 5.743 2.956 1.00 0.58 O ATOM 439 CB TYR A 48 -1.983 7.914 4.545 1.00 0.64 C ATOM 440 CG TYR A 48 -2.312 9.258 5.151 1.00 0.77 C ATOM 441 CD1 TYR A 48 -2.274 9.443 6.528 1.00 1.51 C ATOM 442 CD2 TYR A 48 -2.653 10.340 4.353 1.00 1.31 C ATOM 443 CE1 TYR A 48 -2.564 10.670 7.090 1.00 1.61 C ATOM 444 CE2 TYR A 48 -2.946 11.571 4.909 1.00 1.43 C ATOM 445 CZ TYR A 48 -2.901 11.730 6.276 1.00 1.09 C ATOM 446 OH TYR A 48 -3.183 12.957 6.833 1.00 1.28 O ATOM 0 H TYR A 48 -0.685 8.853 2.555 1.00 0.49 H new ATOM 0 HA TYR A 48 0.041 7.951 5.231 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -2.514 7.809 3.599 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -2.348 7.126 5.204 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.013 8.613 7.169 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -2.690 10.219 3.280 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -2.527 10.799 8.162 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -3.209 12.404 4.274 1.00 1.43 H new ATOM 0 HH TYR A 48 -3.401 13.596 6.123 1.00 1.28 H new ATOM 456 N LEU A 49 0.665 5.640 4.729 1.00 0.46 N ATOM 457 CA LEU A 49 1.062 4.262 4.502 1.00 0.46 C ATOM 458 C LEU A 49 0.495 3.375 5.596 1.00 0.50 C ATOM 459 O LEU A 49 0.591 3.695 6.782 1.00 0.61 O ATOM 460 CB LEU A 49 2.598 4.170 4.436 1.00 0.66 C ATOM 461 CG LEU A 49 3.192 2.756 4.261 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.543 2.805 3.554 1.00 1.76 C ATOM 463 CD2 LEU A 49 3.361 2.070 5.612 1.00 1.35 C ATOM 0 H LEU A 49 1.102 6.071 5.543 1.00 0.46 H new ATOM 0 HA LEU A 49 0.662 3.914 3.550 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.943 4.791 3.609 1.00 0.66 H new ATOM 0 HB3 LEU A 49 3.006 4.602 5.350 1.00 0.66 H new ATOM 0 HG LEU A 49 2.493 2.187 3.648 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.934 1.793 3.446 1.00 1.76 H new ATOM 0 HD12 LEU A 49 4.422 3.254 2.568 1.00 1.76 H new ATOM 0 HD13 LEU A 49 5.240 3.403 4.142 1.00 1.76 H new ATOM 0 HD21 LEU A 49 3.781 1.075 5.465 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.032 2.658 6.237 1.00 1.35 H new ATOM 0 HD23 LEU A 49 2.391 1.985 6.101 1.00 1.35 H new ATOM 475 N LEU A 50 -0.100 2.264 5.194 1.00 0.52 N ATOM 476 CA LEU A 50 -0.772 1.379 6.128 1.00 0.63 C ATOM 477 C LEU A 50 -0.393 -0.078 5.883 1.00 0.69 C ATOM 478 O LEU A 50 -0.228 -0.507 4.739 1.00 0.69 O ATOM 479 CB LEU A 50 -2.287 1.539 5.998 1.00 0.77 C ATOM 480 CG LEU A 50 -2.837 2.938 6.290 1.00 0.81 C ATOM 481 CD1 LEU A 50 -4.324 2.993 5.980 1.00 1.24 C ATOM 482 CD2 LEU A 50 -2.584 3.326 7.741 1.00 1.48 C ATOM 0 H LEU A 50 -0.131 1.954 4.223 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.456 1.652 7.135 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.577 1.259 4.985 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.767 0.832 6.674 1.00 0.77 H new ATOM 0 HG LEU A 50 -2.318 3.652 5.650 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -4.703 3.993 6.192 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -4.485 2.759 4.928 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -4.852 2.267 6.598 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -2.983 4.323 7.926 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -3.076 2.611 8.400 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -1.512 3.322 7.937 1.00 1.48 H new ATOM 494 N THR A 51 -0.260 -0.830 6.966 1.00 0.85 N ATOM 495 CA THR A 51 -0.016 -2.266 6.881 1.00 1.00 C ATOM 496 C THR A 51 -1.353 -3.008 6.824 1.00 1.38 C ATOM 497 O THR A 51 -2.359 -2.531 7.365 1.00 2.04 O ATOM 498 CB THR A 51 0.815 -2.770 8.086 1.00 1.42 C ATOM 499 OG1 THR A 51 1.941 -1.904 8.296 1.00 1.86 O ATOM 500 CG2 THR A 51 1.317 -4.189 7.849 1.00 2.07 C ATOM 0 H THR A 51 -0.317 -0.469 7.918 1.00 0.85 H new ATOM 0 HA THR A 51 0.556 -2.463 5.974 1.00 1.00 H new ATOM 0 HB THR A 51 0.171 -2.767 8.965 1.00 1.42 H new ATOM 0 HG1 THR A 51 2.463 -2.226 9.060 1.00 1.86 H new ATOM 0 HG21 THR A 51 1.898 -4.518 8.711 1.00 2.07 H new ATOM 0 HG22 THR A 51 0.467 -4.857 7.708 1.00 2.07 H new ATOM 0 HG23 THR A 51 1.946 -4.209 6.959 1.00 2.07 H new ATOM 508 N LEU A 52 -1.371 -4.163 6.169 1.00 1.17 N ATOM 509 CA LEU A 52 -2.617 -4.875 5.934 1.00 1.66 C ATOM 510 C LEU A 52 -2.900 -5.882 7.043 1.00 1.10 C ATOM 511 O LEU A 52 -2.277 -6.940 7.120 1.00 1.25 O ATOM 512 CB LEU A 52 -2.567 -5.589 4.582 1.00 2.63 C ATOM 513 CG LEU A 52 -2.330 -4.681 3.372 1.00 2.95 C ATOM 514 CD1 LEU A 52 -2.218 -5.507 2.102 1.00 3.41 C ATOM 515 CD2 LEU A 52 -3.451 -3.660 3.243 1.00 3.43 C ATOM 0 H LEU A 52 -0.541 -4.623 5.794 1.00 1.17 H new ATOM 0 HA LEU A 52 -3.425 -4.143 5.928 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.776 -6.338 4.614 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -3.506 -6.123 4.437 1.00 2.63 H new ATOM 0 HG LEU A 52 -1.392 -4.147 3.522 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -2.050 -4.846 1.252 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -1.383 -6.202 2.192 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.141 -6.067 1.949 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.266 -3.024 2.378 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.402 -4.178 3.116 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -3.490 -3.046 4.143 1.00 3.43 H new ATOM 527 N GLU A 53 -3.873 -5.530 7.871 1.00 1.35 N ATOM 528 CA GLU A 53 -4.358 -6.363 8.970 1.00 1.60 C ATOM 529 C GLU A 53 -5.777 -5.919 9.291 1.00 1.84 C ATOM 530 O GLU A 53 -6.723 -6.706 9.246 1.00 2.34 O ATOM 531 CB GLU A 53 -3.477 -6.220 10.221 1.00 2.04 C ATOM 532 CG GLU A 53 -2.161 -6.980 10.165 1.00 2.24 C ATOM 533 CD GLU A 53 -2.353 -8.481 10.241 1.00 2.43 C ATOM 534 OE1 GLU A 53 -2.021 -9.182 9.264 1.00 2.97 O ATOM 535 OE2 GLU A 53 -2.837 -8.967 11.285 1.00 2.75 O ATOM 0 H GLU A 53 -4.361 -4.637 7.798 1.00 1.35 H new ATOM 0 HA GLU A 53 -4.327 -7.411 8.670 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -3.263 -5.163 10.379 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -4.042 -6.564 11.087 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -1.640 -6.730 9.241 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -1.523 -6.657 10.988 1.00 2.24 H new ATOM 542 N THR A 54 -5.901 -4.638 9.615 1.00 1.76 N ATOM 543 CA THR A 54 -7.193 -3.985 9.741 1.00 1.96 C ATOM 544 C THR A 54 -7.475 -3.173 8.484 1.00 1.44 C ATOM 545 O THR A 54 -6.810 -2.164 8.221 1.00 1.41 O ATOM 546 CB THR A 54 -7.221 -3.057 10.970 1.00 2.58 C ATOM 547 OG1 THR A 54 -6.015 -2.278 11.025 1.00 2.85 O ATOM 548 CG2 THR A 54 -7.374 -3.857 12.251 1.00 3.30 C ATOM 0 H THR A 54 -5.107 -4.024 9.797 1.00 1.76 H new ATOM 0 HA THR A 54 -7.958 -4.751 9.868 1.00 1.96 H new ATOM 0 HB THR A 54 -8.079 -2.391 10.875 1.00 2.58 H new ATOM 0 HG1 THR A 54 -6.041 -1.689 11.808 1.00 2.85 H new ATOM 0 HG21 THR A 54 -7.391 -3.178 13.104 1.00 3.30 H new ATOM 0 HG22 THR A 54 -8.306 -4.422 12.218 1.00 3.30 H new ATOM 0 HG23 THR A 54 -6.535 -4.546 12.352 1.00 3.30 H new ATOM 556 N ASP A 55 -8.443 -3.617 7.694 1.00 1.58 N ATOM 557 CA ASP A 55 -8.697 -2.994 6.400 1.00 1.57 C ATOM 558 C ASP A 55 -9.692 -1.854 6.532 1.00 1.40 C ATOM 559 O ASP A 55 -9.330 -0.683 6.462 1.00 1.25 O ATOM 560 CB ASP A 55 -9.242 -4.001 5.376 1.00 2.38 C ATOM 561 CG ASP A 55 -8.509 -5.326 5.375 1.00 3.04 C ATOM 562 OD1 ASP A 55 -9.190 -6.374 5.452 1.00 3.66 O ATOM 563 OD2 ASP A 55 -7.266 -5.332 5.311 1.00 3.51 O ATOM 0 H ASP A 55 -9.060 -4.397 7.922 1.00 1.58 H new ATOM 0 HA ASP A 55 -7.739 -2.613 6.047 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -10.297 -4.180 5.582 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -9.182 -3.562 4.380 1.00 2.38 H new ATOM 568 N ASP A 56 -10.945 -2.203 6.774 1.00 1.62 N ATOM 569 CA ASP A 56 -12.035 -1.237 6.729 1.00 1.72 C ATOM 570 C ASP A 56 -11.958 -0.250 7.879 1.00 1.47 C ATOM 571 O ASP A 56 -12.454 0.868 7.777 1.00 1.48 O ATOM 572 CB ASP A 56 -13.384 -1.952 6.753 1.00 2.15 C ATOM 573 CG ASP A 56 -13.599 -2.825 5.538 1.00 2.43 C ATOM 574 OD1 ASP A 56 -13.320 -4.038 5.620 1.00 2.98 O ATOM 575 OD2 ASP A 56 -14.043 -2.301 4.496 1.00 2.88 O ATOM 0 H ASP A 56 -11.235 -3.153 7.005 1.00 1.62 H new ATOM 0 HA ASP A 56 -11.937 -0.680 5.797 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -13.451 -2.564 7.652 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -14.182 -1.212 6.811 1.00 2.15 H new ATOM 580 N LYS A 57 -11.332 -0.662 8.965 1.00 1.39 N ATOM 581 CA LYS A 57 -11.232 0.181 10.143 1.00 1.42 C ATOM 582 C LYS A 57 -10.415 1.441 9.857 1.00 1.20 C ATOM 583 O LYS A 57 -10.961 2.536 9.760 1.00 1.27 O ATOM 584 CB LYS A 57 -10.614 -0.601 11.304 1.00 1.57 C ATOM 585 CG LYS A 57 -10.484 0.211 12.581 1.00 1.98 C ATOM 586 CD LYS A 57 -9.918 -0.620 13.718 1.00 2.71 C ATOM 587 CE LYS A 57 -9.749 0.214 14.976 1.00 3.40 C ATOM 588 NZ LYS A 57 -9.277 -0.602 16.121 1.00 4.03 N ATOM 0 H LYS A 57 -10.885 -1.574 9.057 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.239 0.491 10.421 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -11.224 -1.482 11.504 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -9.627 -0.957 11.007 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -9.838 1.071 12.402 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -11.461 0.600 12.866 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -10.581 -1.461 13.922 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -8.955 -1.037 13.423 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -9.038 1.018 14.786 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -10.699 0.683 15.231 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -9.174 0.004 16.960 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -9.967 -1.354 16.319 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -8.358 -1.029 15.888 1.00 4.03 H new ATOM 602 N LYS A 58 -9.114 1.276 9.677 1.00 1.07 N ATOM 603 CA LYS A 58 -8.221 2.430 9.608 1.00 1.04 C ATOM 604 C LYS A 58 -8.084 2.980 8.188 1.00 0.88 C ATOM 605 O LYS A 58 -7.786 4.159 8.005 1.00 0.87 O ATOM 606 CB LYS A 58 -6.840 2.100 10.203 1.00 1.18 C ATOM 607 CG LYS A 58 -5.962 1.182 9.361 1.00 1.64 C ATOM 608 CD LYS A 58 -4.632 0.927 10.049 1.00 2.25 C ATOM 609 CE LYS A 58 -3.734 0.026 9.221 1.00 2.61 C ATOM 610 NZ LYS A 58 -4.314 -1.328 9.034 1.00 2.99 N ATOM 0 H LYS A 58 -8.655 0.371 9.577 1.00 1.07 H new ATOM 0 HA LYS A 58 -8.678 3.215 10.211 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -6.303 3.034 10.369 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -6.986 1.638 11.179 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -6.476 0.236 9.191 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -5.790 1.632 8.383 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -4.128 1.876 10.229 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -4.808 0.470 11.023 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -3.563 0.483 8.247 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -2.762 -0.061 9.707 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -3.595 -1.961 8.629 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -4.626 -1.702 9.953 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -5.128 -1.271 8.389 1.00 2.99 H new ATOM 624 N ILE A 59 -8.320 2.144 7.184 1.00 0.83 N ATOM 625 CA ILE A 59 -8.201 2.587 5.799 1.00 0.80 C ATOM 626 C ILE A 59 -9.360 3.511 5.424 1.00 0.74 C ATOM 627 O ILE A 59 -9.156 4.558 4.807 1.00 0.78 O ATOM 628 CB ILE A 59 -8.141 1.388 4.818 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.842 0.595 5.017 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.267 1.854 3.374 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.758 -0.661 4.176 1.00 1.33 C ATOM 0 H ILE A 59 -8.592 1.168 7.299 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.265 3.139 5.716 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.985 0.733 5.035 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -5.995 1.238 4.779 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.750 0.324 6.069 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.222 0.992 2.708 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.219 2.367 3.239 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.450 2.537 3.140 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.813 -1.167 4.371 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.584 -1.325 4.430 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -6.817 -0.397 3.120 1.00 1.33 H new ATOM 643 N GLU A 60 -10.570 3.136 5.830 1.00 0.77 N ATOM 644 CA GLU A 60 -11.762 3.899 5.478 1.00 0.87 C ATOM 645 C GLU A 60 -11.737 5.277 6.130 1.00 0.85 C ATOM 646 O GLU A 60 -12.032 6.282 5.483 1.00 0.94 O ATOM 647 CB GLU A 60 -13.022 3.143 5.900 1.00 1.04 C ATOM 648 CG GLU A 60 -14.302 3.706 5.309 1.00 1.32 C ATOM 649 CD GLU A 60 -15.543 3.043 5.868 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.692 1.816 5.701 1.00 1.96 O ATOM 651 OE2 GLU A 60 -16.382 3.751 6.464 1.00 2.01 O ATOM 0 H GLU A 60 -10.750 2.311 6.401 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.773 4.029 4.396 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.924 2.099 5.603 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.097 3.159 6.987 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -14.348 4.777 5.505 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -14.284 3.580 4.226 1.00 1.32 H new ATOM 658 N ASP A 61 -11.371 5.316 7.408 1.00 0.82 N ATOM 659 CA ASP A 61 -11.316 6.570 8.159 1.00 0.88 C ATOM 660 C ASP A 61 -10.420 7.592 7.474 1.00 0.79 C ATOM 661 O ASP A 61 -10.810 8.745 7.283 1.00 0.83 O ATOM 662 CB ASP A 61 -10.820 6.323 9.586 1.00 0.99 C ATOM 663 CG ASP A 61 -11.946 6.013 10.553 1.00 1.55 C ATOM 664 OD1 ASP A 61 -12.256 6.869 11.407 1.00 2.27 O ATOM 665 OD2 ASP A 61 -12.533 4.917 10.468 1.00 2.05 O ATOM 0 H ASP A 61 -11.107 4.492 7.948 1.00 0.82 H new ATOM 0 HA ASP A 61 -12.329 6.972 8.195 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -10.112 5.494 9.582 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -10.279 7.202 9.935 1.00 0.99 H new ATOM 670 N ILE A 62 -9.226 7.164 7.087 1.00 0.72 N ATOM 671 CA ILE A 62 -8.268 8.056 6.452 1.00 0.69 C ATOM 672 C ILE A 62 -8.758 8.507 5.076 1.00 0.68 C ATOM 673 O ILE A 62 -8.711 9.696 4.761 1.00 0.73 O ATOM 674 CB ILE A 62 -6.872 7.403 6.336 1.00 0.73 C ATOM 675 CG1 ILE A 62 -6.302 7.148 7.736 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.928 8.283 5.523 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.925 6.517 7.736 1.00 0.93 C ATOM 0 H ILE A 62 -8.899 6.205 7.202 1.00 0.72 H new ATOM 0 HA ILE A 62 -8.178 8.934 7.091 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.972 6.451 5.815 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -6.257 8.094 8.276 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.987 6.500 8.283 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.952 7.803 5.455 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -6.334 8.424 4.521 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -5.823 9.252 6.011 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.592 6.369 8.763 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.966 5.555 7.226 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -4.224 7.172 7.219 1.00 0.93 H new ATOM 689 N LEU A 63 -9.255 7.568 4.272 1.00 0.68 N ATOM 690 CA LEU A 63 -9.736 7.895 2.928 1.00 0.76 C ATOM 691 C LEU A 63 -10.875 8.910 2.971 1.00 0.84 C ATOM 692 O LEU A 63 -10.922 9.838 2.156 1.00 0.94 O ATOM 693 CB LEU A 63 -10.196 6.639 2.180 1.00 0.85 C ATOM 694 CG LEU A 63 -9.078 5.671 1.755 1.00 1.23 C ATOM 695 CD1 LEU A 63 -9.645 4.386 1.153 1.00 1.57 C ATOM 696 CD2 LEU A 63 -8.142 6.339 0.760 1.00 1.89 C ATOM 0 H LEU A 63 -9.335 6.583 4.524 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.896 8.337 2.392 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -10.899 6.098 2.813 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.742 6.948 1.289 1.00 0.85 H new ATOM 0 HG LEU A 63 -8.518 5.407 2.652 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -8.826 3.727 0.865 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -10.272 3.885 1.890 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -10.242 4.629 0.274 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -7.358 5.639 0.471 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -8.705 6.639 -0.124 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -7.691 7.219 1.219 1.00 1.89 H new ATOM 708 N LYS A 64 -11.785 8.743 3.924 1.00 0.89 N ATOM 709 CA LYS A 64 -12.922 9.646 4.052 1.00 1.05 C ATOM 710 C LYS A 64 -12.480 11.009 4.571 1.00 1.03 C ATOM 711 O LYS A 64 -13.108 12.025 4.282 1.00 1.13 O ATOM 712 CB LYS A 64 -13.987 9.046 4.974 1.00 1.22 C ATOM 713 CG LYS A 64 -14.563 7.739 4.452 1.00 1.64 C ATOM 714 CD LYS A 64 -15.676 7.205 5.341 1.00 2.17 C ATOM 715 CE LYS A 64 -15.196 6.934 6.759 1.00 2.87 C ATOM 716 NZ LYS A 64 -16.218 6.201 7.552 1.00 3.41 N ATOM 0 H LYS A 64 -11.758 7.994 4.616 1.00 0.89 H new ATOM 0 HA LYS A 64 -13.356 9.782 3.061 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -13.552 8.876 5.959 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -14.795 9.766 5.102 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -14.947 7.891 3.443 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -13.768 6.996 4.382 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -16.495 7.924 5.367 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -16.073 6.285 4.911 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -14.274 6.353 6.727 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -14.961 7.878 7.251 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -16.108 6.433 8.560 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -17.169 6.479 7.234 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.093 5.177 7.417 1.00 3.41 H new ATOM 730 N SER A 65 -11.391 11.027 5.326 1.00 0.97 N ATOM 731 CA SER A 65 -10.856 12.273 5.858 1.00 1.06 C ATOM 732 C SER A 65 -10.031 13.007 4.803 1.00 1.03 C ATOM 733 O SER A 65 -9.785 14.210 4.915 1.00 1.13 O ATOM 734 CB SER A 65 -10.003 11.998 7.094 1.00 1.18 C ATOM 735 OG SER A 65 -10.752 11.318 8.088 1.00 1.65 O ATOM 0 H SER A 65 -10.861 10.195 5.584 1.00 0.97 H new ATOM 0 HA SER A 65 -11.695 12.909 6.141 1.00 1.06 H new ATOM 0 HB2 SER A 65 -9.135 11.400 6.815 1.00 1.18 H new ATOM 0 HB3 SER A 65 -9.627 12.938 7.497 1.00 1.18 H new ATOM 0 HG SER A 65 -10.606 10.353 8.005 1.00 1.65 H new ATOM 741 N LEU A 66 -9.603 12.274 3.783 1.00 0.97 N ATOM 742 CA LEU A 66 -8.817 12.858 2.704 1.00 1.05 C ATOM 743 C LEU A 66 -9.694 13.671 1.754 1.00 1.20 C ATOM 744 O LEU A 66 -9.290 14.741 1.302 1.00 1.55 O ATOM 745 CB LEU A 66 -8.042 11.776 1.940 1.00 1.00 C ATOM 746 CG LEU A 66 -6.738 11.314 2.617 1.00 1.09 C ATOM 747 CD1 LEU A 66 -6.194 10.037 1.985 1.00 1.72 C ATOM 748 CD2 LEU A 66 -5.692 12.415 2.539 1.00 1.38 C ATOM 0 H LEU A 66 -9.787 11.276 3.680 1.00 0.97 H new ATOM 0 HA LEU A 66 -8.095 13.539 3.154 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -8.691 10.911 1.806 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -7.804 12.153 0.945 1.00 1.00 H new ATOM 0 HG LEU A 66 -6.966 11.099 3.661 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -5.274 9.744 2.491 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -6.931 9.240 2.083 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -5.988 10.213 0.929 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -4.774 12.079 3.020 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -5.489 12.651 1.494 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -6.063 13.306 3.046 1.00 1.38 H new ATOM 760 N GLY A 67 -10.887 13.168 1.453 1.00 1.07 N ATOM 761 CA GLY A 67 -11.820 13.919 0.633 1.00 1.26 C ATOM 762 C GLY A 67 -11.937 13.375 -0.777 1.00 1.22 C ATOM 763 O GLY A 67 -12.643 12.389 -0.998 1.00 1.28 O ATOM 0 H GLY A 67 -11.224 12.256 1.761 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -12.803 13.906 1.105 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -11.501 14.960 0.590 1.00 1.26 H new ATOM 767 N PRO A 68 -11.260 14.009 -1.756 1.00 1.24 N ATOM 768 CA PRO A 68 -11.269 13.574 -3.162 1.00 1.29 C ATOM 769 C PRO A 68 -10.937 12.090 -3.325 1.00 1.15 C ATOM 770 O PRO A 68 -10.271 11.500 -2.471 1.00 0.99 O ATOM 771 CB PRO A 68 -10.169 14.426 -3.798 1.00 1.41 C ATOM 772 CG PRO A 68 -10.114 15.655 -2.965 1.00 1.56 C ATOM 773 CD PRO A 68 -10.434 15.216 -1.564 1.00 1.35 C ATOM 0 HA PRO A 68 -12.253 13.697 -3.614 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -9.212 13.903 -3.796 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -10.401 14.662 -4.837 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -9.128 16.117 -3.014 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -10.831 16.397 -3.315 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -9.530 14.996 -0.997 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -10.974 15.988 -1.016 1.00 1.35 H new ATOM 781 N PRO A 69 -11.410 11.467 -4.423 1.00 1.30 N ATOM 782 CA PRO A 69 -11.144 10.054 -4.724 1.00 1.26 C ATOM 783 C PRO A 69 -9.653 9.733 -4.724 1.00 1.05 C ATOM 784 O PRO A 69 -8.930 10.054 -5.668 1.00 1.17 O ATOM 785 CB PRO A 69 -11.734 9.863 -6.123 1.00 1.53 C ATOM 786 CG PRO A 69 -12.771 10.923 -6.244 1.00 1.89 C ATOM 787 CD PRO A 69 -12.254 12.095 -5.458 1.00 1.58 C ATOM 0 HA PRO A 69 -11.578 9.392 -3.975 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -10.969 9.967 -6.893 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.168 8.870 -6.237 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -12.934 11.193 -7.287 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -13.728 10.580 -5.851 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -11.680 12.777 -6.085 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -13.066 12.673 -5.018 1.00 1.58 H new ATOM 795 N VAL A 70 -9.208 9.102 -3.652 1.00 0.85 N ATOM 796 CA VAL A 70 -7.801 8.803 -3.454 1.00 0.67 C ATOM 797 C VAL A 70 -7.398 7.521 -4.175 1.00 0.60 C ATOM 798 O VAL A 70 -8.137 6.533 -4.171 1.00 0.66 O ATOM 799 CB VAL A 70 -7.497 8.681 -1.946 1.00 0.62 C ATOM 800 CG1 VAL A 70 -6.089 8.165 -1.698 1.00 0.99 C ATOM 801 CG2 VAL A 70 -7.697 10.024 -1.267 1.00 1.08 C ATOM 0 H VAL A 70 -9.812 8.783 -2.894 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.218 9.622 -3.876 1.00 0.67 H new ATOM 0 HB VAL A 70 -8.191 7.956 -1.520 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.912 8.093 -0.625 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.977 7.180 -2.152 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.367 8.852 -2.139 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -7.480 9.930 -0.203 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -7.025 10.759 -1.710 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -8.729 10.349 -1.400 1.00 1.08 H new ATOM 811 N LYS A 71 -6.230 7.552 -4.804 1.00 0.55 N ATOM 812 CA LYS A 71 -5.694 6.381 -5.477 1.00 0.54 C ATOM 813 C LYS A 71 -4.959 5.498 -4.478 1.00 0.43 C ATOM 814 O LYS A 71 -4.126 5.978 -3.704 1.00 0.41 O ATOM 815 CB LYS A 71 -4.760 6.797 -6.615 1.00 0.65 C ATOM 816 CG LYS A 71 -5.482 7.473 -7.768 1.00 1.27 C ATOM 817 CD LYS A 71 -4.527 7.858 -8.886 1.00 1.74 C ATOM 818 CE LYS A 71 -3.589 8.974 -8.464 1.00 2.14 C ATOM 819 NZ LYS A 71 -2.675 9.373 -9.566 1.00 2.53 N ATOM 0 H LYS A 71 -5.636 8.379 -4.861 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.520 5.813 -5.905 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -4.001 7.474 -6.224 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -4.239 5.916 -6.989 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -6.248 6.804 -8.159 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.993 8.364 -7.404 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -3.944 6.986 -9.183 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -5.098 8.173 -9.760 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -4.172 9.838 -8.145 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -3.002 8.650 -7.604 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -2.050 10.137 -9.239 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -2.101 8.555 -9.854 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -3.234 9.706 -10.377 1.00 2.53 H new ATOM 833 N ILE A 72 -5.276 4.215 -4.494 1.00 0.45 N ATOM 834 CA ILE A 72 -4.734 3.283 -3.523 1.00 0.43 C ATOM 835 C ILE A 72 -3.650 2.412 -4.144 1.00 0.41 C ATOM 836 O ILE A 72 -3.927 1.552 -4.982 1.00 0.50 O ATOM 837 CB ILE A 72 -5.843 2.383 -2.939 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.949 3.246 -2.324 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.264 1.431 -1.901 1.00 0.58 C ATOM 840 CD1 ILE A 72 -8.119 2.451 -1.789 1.00 1.00 C ATOM 0 H ILE A 72 -5.910 3.794 -5.173 1.00 0.45 H new ATOM 0 HA ILE A 72 -4.296 3.874 -2.719 1.00 0.43 H new ATOM 0 HB ILE A 72 -6.273 1.787 -3.744 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -6.525 3.840 -1.514 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.312 3.946 -3.077 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -6.059 0.803 -1.499 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.506 0.802 -2.367 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.812 2.005 -1.093 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -8.860 3.132 -1.370 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -8.570 1.877 -2.599 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -7.771 1.770 -1.012 1.00 1.00 H new ATOM 852 N LEU A 73 -2.419 2.650 -3.731 1.00 0.37 N ATOM 853 CA LEU A 73 -1.282 1.866 -4.179 1.00 0.37 C ATOM 854 C LEU A 73 -0.944 0.810 -3.139 1.00 0.37 C ATOM 855 O LEU A 73 -0.824 1.117 -1.957 1.00 0.46 O ATOM 856 CB LEU A 73 -0.074 2.779 -4.411 1.00 0.43 C ATOM 857 CG LEU A 73 1.266 2.060 -4.631 1.00 0.57 C ATOM 858 CD1 LEU A 73 1.369 1.519 -6.049 1.00 1.06 C ATOM 859 CD2 LEU A 73 2.440 2.983 -4.315 1.00 1.22 C ATOM 0 H LEU A 73 -2.179 3.393 -3.075 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.536 1.374 -5.118 1.00 0.37 H new ATOM 0 HB2 LEU A 73 -0.276 3.407 -5.279 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.027 3.444 -3.553 1.00 0.43 H new ATOM 0 HG LEU A 73 1.308 1.214 -3.945 1.00 0.57 H new ATOM 0 HD11 LEU A 73 2.327 1.015 -6.177 1.00 1.06 H new ATOM 0 HD12 LEU A 73 0.560 0.811 -6.228 1.00 1.06 H new ATOM 0 HD13 LEU A 73 1.294 2.343 -6.759 1.00 1.06 H new ATOM 0 HD21 LEU A 73 3.376 2.450 -4.479 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.401 3.857 -4.966 1.00 1.22 H new ATOM 0 HD23 LEU A 73 2.382 3.303 -3.275 1.00 1.22 H new ATOM 871 N VAL A 74 -0.812 -0.431 -3.573 1.00 0.40 N ATOM 872 CA VAL A 74 -0.465 -1.516 -2.671 1.00 0.40 C ATOM 873 C VAL A 74 0.860 -2.145 -3.077 1.00 0.39 C ATOM 874 O VAL A 74 1.012 -2.622 -4.201 1.00 0.47 O ATOM 875 CB VAL A 74 -1.555 -2.611 -2.644 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.201 -3.714 -1.653 1.00 1.30 C ATOM 877 CG2 VAL A 74 -2.914 -2.014 -2.318 1.00 1.16 C ATOM 0 H VAL A 74 -0.940 -0.713 -4.545 1.00 0.40 H new ATOM 0 HA VAL A 74 -0.381 -1.086 -1.673 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.606 -3.055 -3.638 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -1.986 -4.471 -1.655 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.255 -4.172 -1.941 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.109 -3.289 -0.653 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.665 -2.804 -2.305 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -2.875 -1.534 -1.340 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -3.178 -1.275 -3.075 1.00 1.16 H new ATOM 887 N LEU A 75 1.813 -2.133 -2.164 1.00 0.38 N ATOM 888 CA LEU A 75 3.092 -2.785 -2.383 1.00 0.38 C ATOM 889 C LEU A 75 3.089 -4.130 -1.674 1.00 0.35 C ATOM 890 O LEU A 75 3.130 -4.199 -0.443 1.00 0.43 O ATOM 891 CB LEU A 75 4.238 -1.910 -1.865 1.00 0.48 C ATOM 892 CG LEU A 75 4.336 -0.519 -2.500 1.00 0.80 C ATOM 893 CD1 LEU A 75 5.488 0.261 -1.891 1.00 1.67 C ATOM 894 CD2 LEU A 75 4.504 -0.625 -4.009 1.00 1.65 C ATOM 0 H LEU A 75 1.725 -1.675 -1.257 1.00 0.38 H new ATOM 0 HA LEU A 75 3.243 -2.937 -3.452 1.00 0.38 H new ATOM 0 HB2 LEU A 75 4.125 -1.793 -0.787 1.00 0.48 H new ATOM 0 HB3 LEU A 75 5.179 -2.435 -2.032 1.00 0.48 H new ATOM 0 HG LEU A 75 3.408 0.016 -2.297 1.00 0.80 H new ATOM 0 HD11 LEU A 75 5.544 1.247 -2.353 1.00 1.67 H new ATOM 0 HD12 LEU A 75 5.326 0.371 -0.819 1.00 1.67 H new ATOM 0 HD13 LEU A 75 6.422 -0.274 -2.064 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.571 0.374 -4.439 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.415 -1.180 -4.236 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.646 -1.146 -4.435 1.00 1.65 H new ATOM 906 N LEU A 76 3.011 -5.196 -2.448 1.00 0.34 N ATOM 907 CA LEU A 76 2.845 -6.519 -1.882 1.00 0.42 C ATOM 908 C LEU A 76 4.015 -7.421 -2.246 1.00 0.41 C ATOM 909 O LEU A 76 4.354 -7.570 -3.422 1.00 0.48 O ATOM 910 CB LEU A 76 1.532 -7.133 -2.376 1.00 0.55 C ATOM 911 CG LEU A 76 1.048 -8.356 -1.597 1.00 1.09 C ATOM 912 CD1 LEU A 76 0.734 -7.976 -0.160 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.172 -8.964 -2.266 1.00 1.76 C ATOM 0 H LEU A 76 3.060 -5.171 -3.467 1.00 0.34 H new ATOM 0 HA LEU A 76 2.815 -6.427 -0.796 1.00 0.42 H new ATOM 0 HB2 LEU A 76 0.756 -6.369 -2.338 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.652 -7.414 -3.422 1.00 0.55 H new ATOM 0 HG LEU A 76 1.843 -9.101 -1.592 1.00 1.09 H new ATOM 0 HD11 LEU A 76 0.391 -8.857 0.383 1.00 1.52 H new ATOM 0 HD12 LEU A 76 1.632 -7.583 0.317 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.046 -7.215 -0.147 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.503 -9.833 -1.698 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.974 -8.226 -2.300 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.084 -9.269 -3.281 1.00 1.76 H new ATOM 925 N GLU A 77 4.631 -8.009 -1.234 1.00 0.46 N ATOM 926 CA GLU A 77 5.706 -8.963 -1.442 1.00 0.49 C ATOM 927 C GLU A 77 5.113 -10.336 -1.722 1.00 0.49 C ATOM 928 O GLU A 77 4.288 -10.826 -0.948 1.00 0.59 O ATOM 929 CB GLU A 77 6.621 -9.009 -0.214 1.00 0.61 C ATOM 930 CG GLU A 77 7.711 -10.066 -0.288 1.00 0.63 C ATOM 931 CD GLU A 77 8.742 -9.920 0.812 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.518 -10.456 1.921 1.00 1.71 O ATOM 933 OE2 GLU A 77 9.786 -9.279 0.570 1.00 1.74 O ATOM 0 H GLU A 77 4.403 -7.840 -0.254 1.00 0.46 H new ATOM 0 HA GLU A 77 6.305 -8.653 -2.298 1.00 0.49 H new ATOM 0 HB2 GLU A 77 7.086 -8.032 -0.085 1.00 0.61 H new ATOM 0 HB3 GLU A 77 6.013 -9.192 0.672 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.257 -11.055 -0.226 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.207 -10.003 -1.256 1.00 0.63 H new ATOM 940 N ASP A 78 5.520 -10.945 -2.831 1.00 0.54 N ATOM 941 CA ASP A 78 4.975 -12.242 -3.229 1.00 0.61 C ATOM 942 C ASP A 78 5.388 -13.331 -2.246 1.00 0.63 C ATOM 943 O ASP A 78 6.434 -13.967 -2.392 1.00 0.72 O ATOM 944 CB ASP A 78 5.411 -12.616 -4.646 1.00 0.77 C ATOM 945 CG ASP A 78 4.885 -13.975 -5.072 1.00 1.06 C ATOM 946 OD1 ASP A 78 5.705 -14.887 -5.314 1.00 1.59 O ATOM 947 OD2 ASP A 78 3.650 -14.142 -5.163 1.00 1.85 O ATOM 0 H ASP A 78 6.221 -10.566 -3.468 1.00 0.54 H new ATOM 0 HA ASP A 78 3.888 -12.158 -3.218 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.058 -11.857 -5.344 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.500 -12.617 -4.700 1.00 0.77 H new ATOM 952 N THR A 79 4.563 -13.508 -1.233 1.00 0.61 N ATOM 953 CA THR A 79 4.769 -14.521 -0.221 1.00 0.72 C ATOM 954 C THR A 79 3.697 -15.604 -0.363 1.00 0.78 C ATOM 955 O THR A 79 2.689 -15.379 -1.039 1.00 0.84 O ATOM 956 CB THR A 79 4.691 -13.888 1.185 1.00 0.77 C ATOM 957 OG1 THR A 79 5.365 -12.620 1.186 1.00 1.04 O ATOM 958 CG2 THR A 79 5.321 -14.787 2.236 1.00 1.20 C ATOM 0 H THR A 79 3.724 -12.947 -1.089 1.00 0.61 H new ATOM 0 HA THR A 79 5.756 -14.966 -0.352 1.00 0.72 H new ATOM 0 HB THR A 79 3.638 -13.754 1.431 1.00 0.77 H new ATOM 0 HG1 THR A 79 4.895 -11.999 0.591 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.248 -14.310 3.213 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.797 -15.743 2.259 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.370 -14.954 1.991 1.00 1.20 H new ATOM 966 N LYS A 80 3.896 -16.762 0.252 1.00 0.84 N ATOM 967 CA LYS A 80 2.877 -17.806 0.241 1.00 0.92 C ATOM 968 C LYS A 80 1.604 -17.293 0.913 1.00 0.88 C ATOM 969 O LYS A 80 0.498 -17.462 0.395 1.00 0.90 O ATOM 970 CB LYS A 80 3.388 -19.062 0.952 1.00 1.09 C ATOM 971 CG LYS A 80 2.443 -20.247 0.853 1.00 1.65 C ATOM 972 CD LYS A 80 3.007 -21.469 1.558 1.00 2.05 C ATOM 973 CE LYS A 80 2.076 -22.664 1.433 1.00 3.00 C ATOM 974 NZ LYS A 80 2.601 -23.848 2.161 1.00 3.57 N ATOM 0 H LYS A 80 4.746 -17.002 0.761 1.00 0.84 H new ATOM 0 HA LYS A 80 2.651 -18.068 -0.793 1.00 0.92 H new ATOM 0 HB2 LYS A 80 4.353 -19.341 0.528 1.00 1.09 H new ATOM 0 HB3 LYS A 80 3.557 -18.830 2.004 1.00 1.09 H new ATOM 0 HG2 LYS A 80 1.481 -19.984 1.292 1.00 1.65 H new ATOM 0 HG3 LYS A 80 2.261 -20.482 -0.196 1.00 1.65 H new ATOM 0 HD2 LYS A 80 3.980 -21.718 1.134 1.00 2.05 H new ATOM 0 HD3 LYS A 80 3.168 -21.241 2.612 1.00 2.05 H new ATOM 0 HE2 LYS A 80 1.093 -22.402 1.825 1.00 3.00 H new ATOM 0 HE3 LYS A 80 1.943 -22.913 0.380 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 1.940 -24.643 2.053 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 3.528 -24.113 1.770 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 2.704 -23.618 3.170 1.00 3.57 H new ATOM 988 N ASP A 81 1.779 -16.634 2.058 1.00 0.90 N ATOM 989 CA ASP A 81 0.667 -16.012 2.780 1.00 0.93 C ATOM 990 C ASP A 81 0.016 -14.922 1.941 1.00 0.83 C ATOM 991 O ASP A 81 -1.163 -14.618 2.099 1.00 0.82 O ATOM 992 CB ASP A 81 1.151 -15.391 4.094 1.00 1.08 C ATOM 993 CG ASP A 81 1.566 -16.415 5.124 1.00 1.46 C ATOM 994 OD1 ASP A 81 2.708 -16.917 5.043 1.00 2.24 O ATOM 995 OD2 ASP A 81 0.761 -16.705 6.033 1.00 2.00 O ATOM 0 H ASP A 81 2.686 -16.516 2.509 1.00 0.90 H new ATOM 0 HA ASP A 81 -0.061 -16.796 2.990 1.00 0.93 H new ATOM 0 HB2 ASP A 81 1.994 -14.732 3.887 1.00 1.08 H new ATOM 0 HB3 ASP A 81 0.356 -14.771 4.509 1.00 1.08 H new ATOM 1000 N ALA A 82 0.791 -14.347 1.035 1.00 0.82 N ATOM 1001 CA ALA A 82 0.337 -13.220 0.236 1.00 0.82 C ATOM 1002 C ALA A 82 -0.680 -13.645 -0.815 1.00 0.82 C ATOM 1003 O ALA A 82 -1.334 -12.802 -1.426 1.00 0.84 O ATOM 1004 CB ALA A 82 1.515 -12.530 -0.425 1.00 0.97 C ATOM 0 H ALA A 82 1.745 -14.646 0.834 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.155 -12.519 0.910 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.158 -11.689 -1.019 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.201 -12.168 0.341 1.00 0.97 H new ATOM 0 HB3 ALA A 82 2.034 -13.237 -1.072 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.830 -14.948 -1.019 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.713 -15.437 -2.065 1.00 1.03 C ATOM 1012 C ASP A 83 -3.155 -15.225 -1.650 1.00 0.98 C ATOM 1013 O ASP A 83 -4.002 -14.852 -2.463 1.00 1.03 O ATOM 1014 CB ASP A 83 -1.459 -16.918 -2.376 1.00 1.27 C ATOM 1015 CG ASP A 83 -2.387 -17.437 -3.456 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -3.500 -17.899 -3.130 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -2.018 -17.362 -4.647 1.00 2.33 O ATOM 0 H ASP A 83 -0.358 -15.675 -0.481 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.507 -14.874 -2.976 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -0.424 -17.050 -2.692 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.593 -17.507 -1.469 1.00 1.27 H new ATOM 1022 N LYS A 84 -3.418 -15.419 -0.368 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.756 -15.261 0.152 1.00 1.04 C ATOM 1024 C LYS A 84 -5.076 -13.787 0.379 1.00 0.94 C ATOM 1025 O LYS A 84 -6.190 -13.343 0.109 1.00 1.04 O ATOM 1026 CB LYS A 84 -4.932 -16.060 1.448 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.061 -15.596 2.606 1.00 1.67 C ATOM 1028 CD LYS A 84 -4.378 -16.353 3.888 1.00 2.01 C ATOM 1029 CE LYS A 84 -5.823 -16.144 4.320 1.00 2.47 C ATOM 1030 NZ LYS A 84 -6.127 -16.813 5.614 1.00 3.21 N ATOM 0 H LYS A 84 -2.720 -15.686 0.327 1.00 0.96 H new ATOM 0 HA LYS A 84 -5.456 -15.652 -0.586 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -5.977 -16.005 1.753 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -4.714 -17.108 1.245 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -3.011 -15.737 2.351 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -4.209 -14.528 2.768 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -4.193 -17.417 3.738 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -3.709 -16.021 4.682 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -6.022 -15.076 4.410 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -6.490 -16.529 3.549 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -7.121 -16.643 5.867 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -5.963 -17.836 5.523 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -5.510 -16.428 6.357 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.089 -13.023 0.845 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.297 -11.606 1.137 1.00 0.77 C ATOM 1046 C VAL A 85 -4.462 -10.817 -0.158 1.00 0.68 C ATOM 1047 O VAL A 85 -5.250 -9.875 -0.219 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.133 -10.987 1.960 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.567 -9.675 2.596 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.593 -11.949 3.020 1.00 1.16 C ATOM 0 H VAL A 85 -3.143 -13.359 1.027 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.204 -11.544 1.738 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.318 -10.790 1.264 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.739 -9.257 3.168 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.861 -8.972 1.816 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -4.413 -9.855 3.260 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.782 -11.469 3.567 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.392 -12.213 3.713 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -2.220 -12.852 2.536 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.738 -11.219 -1.200 1.00 0.60 N ATOM 1061 CA LYS A 86 -3.837 -10.551 -2.493 1.00 0.59 C ATOM 1062 C LYS A 86 -5.242 -10.701 -3.061 1.00 0.69 C ATOM 1063 O LYS A 86 -5.760 -9.798 -3.713 1.00 0.78 O ATOM 1064 CB LYS A 86 -2.798 -11.113 -3.472 1.00 0.62 C ATOM 1065 CG LYS A 86 -2.831 -10.461 -4.846 1.00 0.79 C ATOM 1066 CD LYS A 86 -1.608 -10.811 -5.691 1.00 1.07 C ATOM 1067 CE LYS A 86 -1.477 -12.308 -5.952 1.00 1.57 C ATOM 1068 NZ LYS A 86 -0.790 -13.025 -4.840 1.00 2.30 N ATOM 0 H LYS A 86 -3.081 -11.999 -1.174 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.633 -9.490 -2.350 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -1.804 -10.986 -3.044 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -2.962 -12.185 -3.585 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -3.733 -10.775 -5.371 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -2.890 -9.379 -4.729 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.668 -10.285 -6.644 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -0.710 -10.455 -5.186 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -2.469 -12.736 -6.098 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -0.923 -12.465 -6.878 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -0.161 -13.754 -5.233 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -0.230 -12.348 -4.284 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -1.499 -13.474 -4.226 1.00 2.30 H new ATOM 1082 N LYS A 87 -5.860 -11.843 -2.790 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.228 -12.083 -3.218 1.00 0.89 C ATOM 1084 C LYS A 87 -8.211 -11.322 -2.335 1.00 0.88 C ATOM 1085 O LYS A 87 -9.203 -10.788 -2.822 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.543 -13.581 -3.195 1.00 1.06 C ATOM 1087 CG LYS A 87 -6.900 -14.362 -4.333 1.00 1.85 C ATOM 1088 CD LYS A 87 -7.480 -13.961 -5.683 1.00 2.29 C ATOM 1089 CE LYS A 87 -6.875 -14.765 -6.824 1.00 3.21 C ATOM 1090 NZ LYS A 87 -5.406 -14.570 -6.929 1.00 3.93 N ATOM 0 H LYS A 87 -5.435 -12.615 -2.277 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.333 -11.721 -4.241 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.208 -13.999 -2.246 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -8.624 -13.716 -3.239 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -5.824 -14.189 -4.332 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -7.051 -15.430 -4.174 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -8.560 -14.105 -5.671 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -7.302 -12.899 -5.853 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -7.090 -15.823 -6.675 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -7.347 -14.473 -7.762 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -5.059 -15.010 -7.805 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -5.191 -13.553 -6.944 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -4.938 -15.010 -6.111 1.00 3.93 H new ATOM 1104 N GLU A 88 -7.917 -11.251 -1.041 1.00 0.90 N ATOM 1105 CA GLU A 88 -8.790 -10.566 -0.095 1.00 0.98 C ATOM 1106 C GLU A 88 -8.861 -9.081 -0.407 1.00 0.96 C ATOM 1107 O GLU A 88 -9.944 -8.525 -0.574 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.305 -10.774 1.340 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.511 -12.189 1.846 1.00 1.16 C ATOM 1110 CD GLU A 88 -9.967 -12.600 1.815 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -10.395 -13.226 0.821 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -10.695 -12.279 2.776 1.00 2.58 O ATOM 0 H GLU A 88 -7.081 -11.659 -0.623 1.00 0.90 H new ATOM 0 HA GLU A 88 -9.788 -10.993 -0.192 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.245 -10.526 1.397 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -8.830 -10.081 1.997 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -7.927 -12.879 1.237 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.135 -12.267 2.866 1.00 1.16 H new ATOM 1119 N ILE A 89 -7.698 -8.454 -0.505 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.613 -7.028 -0.788 1.00 0.93 C ATOM 1121 C ILE A 89 -8.239 -6.706 -2.143 1.00 0.87 C ATOM 1122 O ILE A 89 -8.881 -5.670 -2.314 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.145 -6.546 -0.767 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.515 -6.804 0.608 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.048 -5.071 -1.129 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.222 -6.103 1.752 1.00 1.17 C ATOM 0 H ILE A 89 -6.794 -8.914 -0.392 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.166 -6.504 -0.008 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.593 -7.114 -1.516 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.512 -7.877 0.799 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.474 -6.481 0.586 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.004 -4.759 -1.106 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.452 -4.915 -2.129 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -6.619 -4.482 -0.411 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -5.716 -6.336 2.689 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.202 -5.026 1.587 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.256 -6.443 1.804 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.084 -7.622 -3.090 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.590 -7.408 -4.445 1.00 0.79 C ATOM 1140 C GLU A 90 -10.113 -7.515 -4.466 1.00 0.79 C ATOM 1141 O GLU A 90 -10.795 -6.688 -5.080 1.00 0.79 O ATOM 1142 CB GLU A 90 -7.957 -8.402 -5.436 1.00 0.83 C ATOM 1143 CG GLU A 90 -8.516 -8.321 -6.846 1.00 1.35 C ATOM 1144 CD GLU A 90 -7.701 -9.135 -7.830 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -6.768 -8.573 -8.444 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -7.974 -10.342 -7.985 1.00 2.08 O ATOM 0 H GLU A 90 -7.615 -8.517 -2.949 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.310 -6.403 -4.759 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -6.882 -8.225 -5.473 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.100 -9.414 -5.058 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -9.546 -8.677 -6.848 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -8.537 -7.280 -7.168 1.00 1.35 H new ATOM 1153 N LYS A 91 -10.645 -8.519 -3.777 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.087 -8.718 -3.713 1.00 0.93 C ATOM 1155 C LYS A 91 -12.755 -7.624 -2.890 1.00 0.96 C ATOM 1156 O LYS A 91 -13.731 -7.025 -3.333 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.432 -10.090 -3.127 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.033 -11.259 -4.014 1.00 1.66 C ATOM 1159 CD LYS A 91 -12.676 -11.166 -5.389 1.00 1.93 C ATOM 1160 CE LYS A 91 -12.352 -12.383 -6.240 1.00 2.60 C ATOM 1161 NZ LYS A 91 -13.017 -13.613 -5.738 1.00 3.12 N ATOM 0 H LYS A 91 -10.100 -9.206 -3.256 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.465 -8.670 -4.734 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -11.939 -10.195 -2.161 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -13.505 -10.136 -2.944 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -10.948 -11.282 -4.120 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -12.326 -12.194 -3.537 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -13.757 -11.074 -5.281 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -12.328 -10.265 -5.894 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -12.663 -12.198 -7.268 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -11.273 -12.536 -6.256 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -12.908 -14.376 -6.436 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -12.580 -13.902 -4.839 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -14.028 -13.424 -5.587 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.216 -7.357 -1.702 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.802 -6.362 -0.809 1.00 1.17 C ATOM 1177 C LYS A 92 -12.819 -4.983 -1.453 1.00 1.08 C ATOM 1178 O LYS A 92 -13.775 -4.231 -1.289 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.053 -6.297 0.524 1.00 1.37 C ATOM 1180 CG LYS A 92 -12.207 -7.547 1.378 1.00 1.59 C ATOM 1181 CD LYS A 92 -11.627 -7.352 2.772 1.00 1.81 C ATOM 1182 CE LYS A 92 -12.370 -6.265 3.535 1.00 2.18 C ATOM 1183 NZ LYS A 92 -11.930 -6.169 4.951 1.00 2.41 N ATOM 0 H LYS A 92 -11.379 -7.813 -1.338 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.829 -6.674 -0.618 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -10.994 -6.131 0.327 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.410 -5.436 1.089 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -13.263 -7.806 1.456 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -11.708 -8.385 0.890 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -11.682 -8.290 3.325 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -10.572 -7.089 2.695 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -12.212 -5.306 3.042 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -13.440 -6.468 3.502 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -12.335 -5.314 5.383 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -12.255 -7.008 5.473 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -10.892 -6.118 4.989 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.764 -4.657 -2.188 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.687 -3.372 -2.865 1.00 0.99 C ATOM 1199 C ALA A 93 -12.786 -3.243 -3.910 1.00 0.90 C ATOM 1200 O ALA A 93 -13.453 -2.212 -4.003 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.325 -3.189 -3.509 1.00 1.01 C ATOM 0 H ALA A 93 -10.955 -5.262 -2.329 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.828 -2.589 -2.120 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -10.287 -2.222 -4.011 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.551 -3.231 -2.742 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.157 -3.982 -4.237 1.00 1.01 H new ATOM 1207 N ARG A 94 -12.992 -4.304 -4.678 1.00 0.82 N ATOM 1208 CA ARG A 94 -13.996 -4.289 -5.734 1.00 0.85 C ATOM 1209 C ARG A 94 -15.400 -4.306 -5.136 1.00 0.86 C ATOM 1210 O ARG A 94 -16.305 -3.632 -5.634 1.00 0.92 O ATOM 1211 CB ARG A 94 -13.813 -5.485 -6.680 1.00 0.93 C ATOM 1212 CG ARG A 94 -14.780 -5.478 -7.851 1.00 1.31 C ATOM 1213 CD ARG A 94 -14.566 -4.264 -8.742 1.00 1.63 C ATOM 1214 NE ARG A 94 -15.614 -4.136 -9.751 1.00 2.21 N ATOM 1215 CZ ARG A 94 -15.500 -3.400 -10.854 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -14.371 -2.748 -11.111 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -16.517 -3.321 -11.702 1.00 3.67 N ATOM 0 H ARG A 94 -12.480 -5.182 -4.591 1.00 0.82 H new ATOM 0 HA ARG A 94 -13.868 -3.371 -6.308 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -12.792 -5.485 -7.061 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -13.943 -6.409 -6.116 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -14.651 -6.388 -8.437 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -15.804 -5.482 -7.479 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -14.541 -3.363 -8.128 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -13.596 -4.341 -9.234 1.00 1.63 H new ATOM 0 HE ARG A 94 -16.487 -4.642 -9.601 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -13.587 -2.810 -10.462 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -14.288 -2.185 -11.958 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -17.383 -3.823 -11.508 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -16.433 -2.758 -12.548 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.569 -5.063 -4.059 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.859 -5.161 -3.382 1.00 1.02 C ATOM 1233 C LYS A 95 -17.152 -3.899 -2.577 1.00 1.02 C ATOM 1234 O LYS A 95 -18.236 -3.744 -2.025 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.895 -6.383 -2.460 1.00 1.23 C ATOM 1236 CG LYS A 95 -16.801 -7.718 -3.191 1.00 1.55 C ATOM 1237 CD LYS A 95 -17.974 -7.941 -4.138 1.00 2.10 C ATOM 1238 CE LYS A 95 -19.310 -7.967 -3.406 1.00 2.52 C ATOM 1239 NZ LYS A 95 -19.363 -9.026 -2.365 1.00 3.34 N ATOM 0 H LYS A 95 -14.828 -5.620 -3.634 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.627 -5.272 -4.148 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.072 -6.312 -1.748 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -17.819 -6.362 -1.882 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -15.869 -7.756 -3.755 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -16.766 -8.528 -2.462 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -17.988 -7.150 -4.888 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -17.835 -8.882 -4.670 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -19.487 -6.996 -2.943 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -20.113 -8.128 -4.126 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -20.334 -9.107 -2.001 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -19.072 -9.935 -2.779 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -18.721 -8.779 -1.585 1.00 3.34 H new ATOM 1253 N LYS A 96 -16.184 -3.001 -2.510 1.00 0.97 N ATOM 1254 CA LYS A 96 -16.379 -1.741 -1.799 1.00 1.03 C ATOM 1255 C LYS A 96 -16.231 -0.576 -2.779 1.00 0.96 C ATOM 1256 O LYS A 96 -16.136 0.587 -2.389 1.00 1.07 O ATOM 1257 CB LYS A 96 -15.402 -1.623 -0.610 1.00 1.15 C ATOM 1258 CG LYS A 96 -15.713 -0.484 0.344 1.00 1.29 C ATOM 1259 CD LYS A 96 -14.857 -0.577 1.595 1.00 1.68 C ATOM 1260 CE LYS A 96 -15.323 0.392 2.666 1.00 1.78 C ATOM 1261 NZ LYS A 96 -14.568 0.217 3.932 1.00 2.17 N ATOM 0 H LYS A 96 -15.263 -3.115 -2.933 1.00 0.97 H new ATOM 0 HA LYS A 96 -17.386 -1.712 -1.382 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -15.411 -2.560 -0.053 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.392 -1.492 -0.997 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -15.536 0.470 -0.152 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -16.768 -0.511 0.617 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -14.891 -1.594 1.985 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -13.818 -0.367 1.342 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -15.202 1.415 2.309 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -16.386 0.243 2.853 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -14.948 0.861 4.655 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -14.662 -0.766 4.259 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -13.564 0.433 3.770 1.00 2.17 H new ATOM 1275 N ASN A 97 -16.239 -0.923 -4.069 1.00 0.86 N ATOM 1276 CA ASN A 97 -16.186 0.045 -5.166 1.00 0.86 C ATOM 1277 C ASN A 97 -15.004 1.001 -5.040 1.00 0.87 C ATOM 1278 O ASN A 97 -15.139 2.208 -5.253 1.00 1.04 O ATOM 1279 CB ASN A 97 -17.500 0.827 -5.264 1.00 0.97 C ATOM 1280 CG ASN A 97 -18.648 -0.040 -5.749 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -18.864 -0.186 -6.952 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -19.398 -0.614 -4.823 1.00 2.33 N ATOM 0 H ASN A 97 -16.283 -1.892 -4.383 1.00 0.86 H new ATOM 0 HA ASN A 97 -16.044 -0.524 -6.085 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.748 1.242 -4.287 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -17.370 1.669 -5.944 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -20.186 -1.201 -5.097 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -19.188 -0.470 -3.835 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.843 0.454 -4.710 1.00 0.78 N ATOM 1290 CA LEU A 98 -12.625 1.244 -4.609 1.00 0.84 C ATOM 1291 C LEU A 98 -11.557 0.672 -5.537 1.00 0.71 C ATOM 1292 O LEU A 98 -11.137 -0.472 -5.370 1.00 0.65 O ATOM 1293 CB LEU A 98 -12.103 1.264 -3.167 1.00 1.00 C ATOM 1294 CG LEU A 98 -13.033 1.907 -2.129 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -12.395 1.866 -0.749 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -13.376 3.343 -2.512 1.00 2.08 C ATOM 0 H LEU A 98 -13.719 -0.538 -4.507 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.855 2.267 -4.906 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -11.901 0.238 -2.860 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.151 1.795 -3.152 1.00 1.00 H new ATOM 0 HG LEU A 98 -13.960 1.333 -2.106 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -13.067 2.326 -0.024 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -12.208 0.830 -0.465 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -11.452 2.413 -0.768 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -14.036 3.773 -1.758 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -12.461 3.932 -2.571 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -13.877 3.352 -3.480 1.00 2.08 H new ATOM 1308 N PRO A 99 -11.123 1.445 -6.548 1.00 0.83 N ATOM 1309 CA PRO A 99 -10.067 1.007 -7.460 1.00 0.85 C ATOM 1310 C PRO A 99 -8.717 0.912 -6.757 1.00 0.70 C ATOM 1311 O PRO A 99 -8.288 1.851 -6.083 1.00 0.77 O ATOM 1312 CB PRO A 99 -10.023 2.080 -8.554 1.00 1.15 C ATOM 1313 CG PRO A 99 -10.790 3.254 -8.032 1.00 1.25 C ATOM 1314 CD PRO A 99 -11.630 2.790 -6.866 1.00 1.10 C ATOM 0 HA PRO A 99 -10.271 0.011 -7.854 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.994 2.359 -8.782 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -10.465 1.709 -9.479 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -10.108 4.044 -7.718 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.424 3.672 -8.814 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -11.529 3.462 -6.014 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -12.688 2.762 -7.127 1.00 1.10 H new ATOM 1322 N VAL A 100 -8.048 -0.218 -6.922 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.795 -0.465 -6.227 1.00 0.47 C ATOM 1324 C VAL A 100 -5.672 -0.781 -7.214 1.00 0.42 C ATOM 1325 O VAL A 100 -5.894 -1.424 -8.243 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.948 -1.618 -5.208 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.321 -2.921 -5.900 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -5.685 -1.789 -4.382 1.00 1.35 C ATOM 0 H VAL A 100 -8.351 -0.978 -7.531 1.00 0.58 H new ATOM 0 HA VAL A 100 -6.533 0.445 -5.687 1.00 0.47 H new ATOM 0 HB VAL A 100 -7.761 -1.353 -4.532 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.421 -3.712 -5.157 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -8.267 -2.796 -6.426 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -6.542 -3.190 -6.613 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -5.821 -2.606 -3.674 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -4.847 -2.016 -5.041 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -5.479 -0.868 -3.837 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.478 -0.294 -6.912 1.00 0.43 N ATOM 1339 CA ARG A 101 -3.306 -0.550 -7.734 1.00 0.43 C ATOM 1340 C ARG A 101 -2.298 -1.391 -6.962 1.00 0.40 C ATOM 1341 O ARG A 101 -1.550 -0.872 -6.135 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.665 0.769 -8.165 1.00 0.49 C ATOM 1343 CG ARG A 101 -3.576 1.636 -9.013 1.00 1.20 C ATOM 1344 CD ARG A 101 -2.884 2.914 -9.445 1.00 1.40 C ATOM 1345 NE ARG A 101 -3.776 3.786 -10.205 1.00 2.23 N ATOM 1346 CZ ARG A 101 -3.362 4.659 -11.120 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -2.072 4.744 -11.429 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -4.240 5.436 -11.736 1.00 3.87 N ATOM 0 H ARG A 101 -4.295 0.287 -6.094 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.616 -1.098 -8.624 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.369 1.327 -7.277 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.755 0.555 -8.725 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -3.895 1.078 -9.894 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -4.476 1.881 -8.448 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -2.520 3.445 -8.565 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -2.013 2.668 -10.052 1.00 1.40 H new ATOM 0 HE ARG A 101 -4.778 3.722 -10.023 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -1.395 4.139 -10.964 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -1.759 5.415 -12.131 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -5.232 5.365 -11.509 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -3.924 6.106 -12.438 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.283 -2.686 -7.230 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.413 -3.598 -6.502 1.00 0.43 C ATOM 1364 C ILE A 102 -0.160 -3.912 -7.307 1.00 0.45 C ATOM 1365 O ILE A 102 -0.232 -4.377 -8.445 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.139 -4.912 -6.140 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.385 -4.609 -5.302 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.201 -5.851 -5.386 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.155 -5.841 -4.881 1.00 0.76 C ATOM 0 H ILE A 102 -2.861 -3.130 -7.944 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.128 -3.097 -5.577 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.449 -5.407 -7.061 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.086 -4.057 -4.411 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -4.046 -3.957 -5.874 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.729 -6.772 -5.139 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.339 -6.084 -6.011 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.864 -5.369 -4.468 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.023 -5.544 -4.292 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.486 -6.383 -5.767 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -3.512 -6.485 -4.281 1.00 0.76 H new ATOM 1381 N ARG A 103 0.988 -3.640 -6.708 1.00 0.41 N ATOM 1382 CA ARG A 103 2.269 -3.901 -7.339 1.00 0.50 C ATOM 1383 C ARG A 103 3.034 -4.958 -6.559 1.00 0.43 C ATOM 1384 O ARG A 103 3.373 -4.761 -5.391 1.00 0.53 O ATOM 1385 CB ARG A 103 3.091 -2.611 -7.426 1.00 0.65 C ATOM 1386 CG ARG A 103 2.469 -1.553 -8.324 1.00 1.12 C ATOM 1387 CD ARG A 103 2.428 -2.014 -9.772 1.00 1.27 C ATOM 1388 NE ARG A 103 1.751 -1.055 -10.642 1.00 1.83 N ATOM 1389 CZ ARG A 103 2.025 -0.908 -11.938 1.00 2.44 C ATOM 1390 NH1 ARG A 103 2.976 -1.639 -12.503 1.00 2.64 N ATOM 1391 NH2 ARG A 103 1.345 -0.036 -12.669 1.00 3.34 N ATOM 0 H ARG A 103 1.057 -3.234 -5.775 1.00 0.41 H new ATOM 0 HA ARG A 103 2.091 -4.271 -8.349 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.213 -2.199 -6.424 1.00 0.65 H new ATOM 0 HB3 ARG A 103 4.088 -2.850 -7.796 1.00 0.65 H new ATOM 0 HG2 ARG A 103 1.458 -1.331 -7.982 1.00 1.12 H new ATOM 0 HG3 ARG A 103 3.041 -0.628 -8.250 1.00 1.12 H new ATOM 0 HD2 ARG A 103 3.446 -2.170 -10.130 1.00 1.27 H new ATOM 0 HD3 ARG A 103 1.919 -2.976 -9.830 1.00 1.27 H new ATOM 0 HE ARG A 103 1.027 -0.464 -10.234 1.00 1.83 H new ATOM 0 HH11 ARG A 103 3.499 -2.315 -11.946 1.00 2.64 H new ATOM 0 HH12 ARG A 103 3.185 -1.526 -13.495 1.00 2.64 H new ATOM 0 HH21 ARG A 103 0.609 0.525 -12.240 1.00 3.34 H new ATOM 0 HH22 ARG A 103 1.558 0.074 -13.661 1.00 3.34 H new ATOM 1405 N LYS A 104 3.284 -6.089 -7.203 1.00 0.38 N ATOM 1406 CA LYS A 104 4.050 -7.163 -6.588 1.00 0.39 C ATOM 1407 C LYS A 104 5.527 -6.804 -6.584 1.00 0.37 C ATOM 1408 O LYS A 104 6.178 -6.819 -7.631 1.00 0.46 O ATOM 1409 CB LYS A 104 3.841 -8.474 -7.348 1.00 0.51 C ATOM 1410 CG LYS A 104 2.383 -8.859 -7.518 1.00 0.63 C ATOM 1411 CD LYS A 104 2.245 -10.159 -8.293 1.00 1.06 C ATOM 1412 CE LYS A 104 0.794 -10.458 -8.630 1.00 1.50 C ATOM 1413 NZ LYS A 104 0.228 -9.469 -9.587 1.00 1.91 N ATOM 0 H LYS A 104 2.967 -6.287 -8.152 1.00 0.38 H new ATOM 0 HA LYS A 104 3.705 -7.294 -5.563 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.302 -8.390 -8.332 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.359 -9.275 -6.821 1.00 0.51 H new ATOM 0 HG2 LYS A 104 1.915 -8.965 -6.539 1.00 0.63 H new ATOM 0 HG3 LYS A 104 1.852 -8.063 -8.040 1.00 0.63 H new ATOM 0 HD2 LYS A 104 2.828 -10.099 -9.212 1.00 1.06 H new ATOM 0 HD3 LYS A 104 2.659 -10.979 -7.706 1.00 1.06 H new ATOM 0 HE2 LYS A 104 0.720 -11.458 -9.056 1.00 1.50 H new ATOM 0 HE3 LYS A 104 0.202 -10.457 -7.715 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 -0.650 -9.846 -9.997 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 0.023 -8.580 -9.087 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 0.915 -9.288 -10.346 1.00 1.91 H new ATOM 1427 N VAL A 105 6.051 -6.460 -5.422 1.00 0.35 N ATOM 1428 CA VAL A 105 7.439 -6.054 -5.305 1.00 0.39 C ATOM 1429 C VAL A 105 8.085 -6.644 -4.062 1.00 0.46 C ATOM 1430 O VAL A 105 7.467 -6.717 -3.002 1.00 0.52 O ATOM 1431 CB VAL A 105 7.584 -4.516 -5.253 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.268 -3.891 -6.603 1.00 0.43 C ATOM 1433 CG2 VAL A 105 6.693 -3.919 -4.171 1.00 0.55 C ATOM 0 H VAL A 105 5.534 -6.454 -4.543 1.00 0.35 H new ATOM 0 HA VAL A 105 7.944 -6.431 -6.194 1.00 0.39 H new ATOM 0 HB VAL A 105 8.622 -4.291 -5.006 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.378 -2.809 -6.537 1.00 0.43 H new ATOM 0 HG12 VAL A 105 7.955 -4.281 -7.354 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.244 -4.135 -6.886 1.00 0.43 H new ATOM 0 HG21 VAL A 105 6.815 -2.836 -4.156 1.00 0.55 H new ATOM 0 HG22 VAL A 105 5.652 -4.164 -4.381 1.00 0.55 H new ATOM 0 HG23 VAL A 105 6.974 -4.329 -3.201 1.00 0.55 H new ATOM 1443 N THR A 106 9.322 -7.087 -4.202 1.00 0.52 N ATOM 1444 CA THR A 106 10.122 -7.444 -3.051 1.00 0.61 C ATOM 1445 C THR A 106 11.507 -6.816 -3.197 1.00 0.58 C ATOM 1446 O THR A 106 12.425 -7.380 -3.803 1.00 0.67 O ATOM 1447 CB THR A 106 10.200 -8.985 -2.880 1.00 0.80 C ATOM 1448 OG1 THR A 106 11.057 -9.335 -1.787 1.00 1.32 O ATOM 1449 CG2 THR A 106 10.677 -9.675 -4.154 1.00 1.64 C ATOM 0 H THR A 106 9.791 -7.207 -5.100 1.00 0.52 H new ATOM 0 HA THR A 106 9.654 -7.056 -2.146 1.00 0.61 H new ATOM 0 HB THR A 106 9.189 -9.332 -2.666 1.00 0.80 H new ATOM 0 HG1 THR A 106 10.554 -9.284 -0.947 1.00 1.32 H new ATOM 0 HG21 THR A 106 10.717 -10.752 -3.991 1.00 1.64 H new ATOM 0 HG22 THR A 106 9.985 -9.457 -4.967 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.670 -9.310 -4.415 1.00 1.64 H new ATOM 1457 N SER A 107 11.629 -5.622 -2.634 1.00 0.50 N ATOM 1458 CA SER A 107 12.848 -4.832 -2.696 1.00 0.51 C ATOM 1459 C SER A 107 12.604 -3.483 -2.031 1.00 0.45 C ATOM 1460 O SER A 107 11.681 -2.760 -2.413 1.00 0.44 O ATOM 1461 CB SER A 107 13.280 -4.617 -4.152 1.00 0.56 C ATOM 1462 OG SER A 107 14.388 -3.736 -4.235 1.00 1.36 O ATOM 0 H SER A 107 10.875 -5.171 -2.116 1.00 0.50 H new ATOM 0 HA SER A 107 13.642 -5.366 -2.175 1.00 0.51 H new ATOM 0 HB2 SER A 107 13.540 -5.575 -4.602 1.00 0.56 H new ATOM 0 HB3 SER A 107 12.446 -4.211 -4.725 1.00 0.56 H new ATOM 0 HG SER A 107 14.643 -3.619 -5.174 1.00 1.36 H new ATOM 1468 N PRO A 108 13.407 -3.131 -1.016 1.00 0.47 N ATOM 1469 CA PRO A 108 13.336 -1.812 -0.385 1.00 0.49 C ATOM 1470 C PRO A 108 13.580 -0.694 -1.389 1.00 0.43 C ATOM 1471 O PRO A 108 13.009 0.388 -1.278 1.00 0.47 O ATOM 1472 CB PRO A 108 14.453 -1.846 0.661 1.00 0.63 C ATOM 1473 CG PRO A 108 14.701 -3.293 0.914 1.00 0.69 C ATOM 1474 CD PRO A 108 14.423 -3.991 -0.386 1.00 0.55 C ATOM 0 HA PRO A 108 12.353 -1.614 0.042 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.352 -1.350 0.295 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.154 -1.331 1.574 1.00 0.63 H new ATOM 0 HG2 PRO A 108 15.728 -3.463 1.237 1.00 0.69 H new ATOM 0 HG3 PRO A 108 14.052 -3.668 1.705 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.320 -4.072 -1.000 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.052 -5.004 -0.229 1.00 0.55 H new ATOM 1482 N ASP A 109 14.417 -0.977 -2.381 1.00 0.46 N ATOM 1483 CA ASP A 109 14.731 -0.007 -3.424 1.00 0.50 C ATOM 1484 C ASP A 109 13.516 0.255 -4.302 1.00 0.41 C ATOM 1485 O ASP A 109 13.182 1.405 -4.588 1.00 0.44 O ATOM 1486 CB ASP A 109 15.897 -0.493 -4.289 1.00 0.64 C ATOM 1487 CG ASP A 109 17.219 -0.481 -3.554 1.00 1.56 C ATOM 1488 OD1 ASP A 109 17.881 0.580 -3.525 1.00 2.22 O ATOM 1489 OD2 ASP A 109 17.616 -1.535 -3.016 1.00 2.37 O ATOM 0 H ASP A 109 14.892 -1.874 -2.485 1.00 0.46 H new ATOM 0 HA ASP A 109 15.020 0.923 -2.934 1.00 0.50 H new ATOM 0 HB2 ASP A 109 15.689 -1.505 -4.636 1.00 0.64 H new ATOM 0 HB3 ASP A 109 15.974 0.138 -5.175 1.00 0.64 H new ATOM 1494 N GLU A 110 12.852 -0.817 -4.723 1.00 0.38 N ATOM 1495 CA GLU A 110 11.671 -0.694 -5.566 1.00 0.38 C ATOM 1496 C GLU A 110 10.528 -0.035 -4.809 1.00 0.36 C ATOM 1497 O GLU A 110 9.778 0.760 -5.373 1.00 0.42 O ATOM 1498 CB GLU A 110 11.228 -2.058 -6.086 1.00 0.43 C ATOM 1499 CG GLU A 110 12.183 -2.668 -7.093 1.00 0.68 C ATOM 1500 CD GLU A 110 11.621 -3.916 -7.735 1.00 1.32 C ATOM 1501 OE1 GLU A 110 11.833 -5.020 -7.192 1.00 2.01 O ATOM 1502 OE2 GLU A 110 10.968 -3.800 -8.793 1.00 2.12 O ATOM 0 H GLU A 110 13.111 -1.777 -4.494 1.00 0.38 H new ATOM 0 HA GLU A 110 11.937 -0.065 -6.415 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.119 -2.740 -5.243 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.244 -1.960 -6.545 1.00 0.43 H new ATOM 0 HG2 GLU A 110 12.409 -1.934 -7.867 1.00 0.68 H new ATOM 0 HG3 GLU A 110 13.124 -2.909 -6.598 1.00 0.68 H new ATOM 1509 N ALA A 111 10.399 -0.367 -3.530 1.00 0.33 N ATOM 1510 CA ALA A 111 9.381 0.244 -2.689 1.00 0.35 C ATOM 1511 C ALA A 111 9.600 1.752 -2.612 1.00 0.34 C ATOM 1512 O ALA A 111 8.659 2.533 -2.759 1.00 0.41 O ATOM 1513 CB ALA A 111 9.387 -0.381 -1.303 1.00 0.38 C ATOM 0 H ALA A 111 10.985 -1.054 -3.055 1.00 0.33 H new ATOM 0 HA ALA A 111 8.402 0.062 -3.133 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.619 0.089 -0.689 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.183 -1.449 -1.384 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.363 -0.232 -0.841 1.00 0.38 H new ATOM 1519 N LYS A 112 10.852 2.155 -2.404 1.00 0.32 N ATOM 1520 CA LYS A 112 11.220 3.568 -2.410 1.00 0.34 C ATOM 1521 C LYS A 112 10.918 4.203 -3.764 1.00 0.37 C ATOM 1522 O LYS A 112 10.529 5.369 -3.842 1.00 0.42 O ATOM 1523 CB LYS A 112 12.707 3.736 -2.092 1.00 0.40 C ATOM 1524 CG LYS A 112 13.075 3.425 -0.651 1.00 0.48 C ATOM 1525 CD LYS A 112 14.584 3.359 -0.466 1.00 0.62 C ATOM 1526 CE LYS A 112 15.266 4.650 -0.891 1.00 1.11 C ATOM 1527 NZ LYS A 112 16.740 4.584 -0.712 1.00 1.51 N ATOM 0 H LYS A 112 11.631 1.520 -2.229 1.00 0.32 H new ATOM 0 HA LYS A 112 10.628 4.069 -1.644 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.283 3.086 -2.751 1.00 0.40 H new ATOM 0 HB3 LYS A 112 13.002 4.761 -2.317 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.659 4.189 0.005 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.629 2.475 -0.357 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.813 3.155 0.580 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.985 2.529 -1.047 1.00 0.62 H new ATOM 0 HE2 LYS A 112 15.036 4.855 -1.937 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.867 5.480 -0.309 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 17.167 5.483 -1.013 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.961 4.414 0.290 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 17.125 3.808 -1.288 1.00 1.51 H new ATOM 1541 N ARG A 113 11.112 3.431 -4.826 1.00 0.38 N ATOM 1542 CA ARG A 113 10.862 3.909 -6.180 1.00 0.46 C ATOM 1543 C ARG A 113 9.392 4.257 -6.390 1.00 0.43 C ATOM 1544 O ARG A 113 9.059 5.412 -6.645 1.00 0.50 O ATOM 1545 CB ARG A 113 11.286 2.863 -7.217 1.00 0.57 C ATOM 1546 CG ARG A 113 10.792 3.191 -8.615 1.00 0.77 C ATOM 1547 CD ARG A 113 11.142 2.112 -9.623 1.00 1.01 C ATOM 1548 NE ARG A 113 10.474 2.343 -10.899 1.00 1.68 N ATOM 1549 CZ ARG A 113 10.891 1.860 -12.065 1.00 2.13 C ATOM 1550 NH1 ARG A 113 11.982 1.102 -12.124 1.00 1.97 N ATOM 1551 NH2 ARG A 113 10.213 2.130 -13.172 1.00 2.96 N ATOM 0 H ARG A 113 11.443 2.468 -4.775 1.00 0.38 H new ATOM 0 HA ARG A 113 11.457 4.812 -6.312 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.373 2.788 -7.228 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.903 1.887 -6.920 1.00 0.57 H new ATOM 0 HG2 ARG A 113 9.711 3.326 -8.592 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.225 4.138 -8.937 1.00 0.77 H new ATOM 0 HD2 ARG A 113 12.221 2.088 -9.774 1.00 1.01 H new ATOM 0 HD3 ARG A 113 10.854 1.137 -9.230 1.00 1.01 H new ATOM 0 HE ARG A 113 9.629 2.914 -10.896 1.00 1.68 H new ATOM 0 HH11 ARG A 113 12.502 0.889 -11.273 1.00 1.97 H new ATOM 0 HH12 ARG A 113 12.299 0.733 -13.021 1.00 1.97 H new ATOM 0 HH21 ARG A 113 9.373 2.707 -13.128 1.00 2.96 H new ATOM 0 HH22 ARG A 113 10.531 1.760 -14.068 1.00 2.96 H new ATOM 1565 N TRP A 114 8.525 3.255 -6.272 1.00 0.39 N ATOM 1566 CA TRP A 114 7.112 3.414 -6.607 1.00 0.39 C ATOM 1567 C TRP A 114 6.452 4.519 -5.791 1.00 0.40 C ATOM 1568 O TRP A 114 5.669 5.305 -6.324 1.00 0.46 O ATOM 1569 CB TRP A 114 6.357 2.094 -6.419 1.00 0.38 C ATOM 1570 CG TRP A 114 6.695 1.063 -7.453 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.493 -0.034 -7.294 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.243 1.036 -8.812 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.563 -0.741 -8.471 1.00 0.40 N ATOM 1574 CE2 TRP A 114 6.804 -0.105 -9.416 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.416 1.865 -9.577 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 6.566 -0.435 -10.748 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 5.182 1.535 -10.897 1.00 1.29 C ATOM 1578 CH2 TRP A 114 5.753 0.393 -11.472 1.00 1.25 C ATOM 0 H TRP A 114 8.777 2.322 -5.946 1.00 0.39 H new ATOM 0 HA TRP A 114 7.063 3.704 -7.657 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.581 1.693 -5.430 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.285 2.290 -6.448 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.996 -0.306 -6.378 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.094 -1.600 -8.616 1.00 0.40 H new ATOM 0 HE3 TRP A 114 4.969 2.747 -9.143 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 7.008 -1.314 -11.194 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 4.547 2.169 -11.497 1.00 1.29 H new ATOM 0 HH2 TRP A 114 5.548 0.162 -12.507 1.00 1.25 H new ATOM 1589 N ILE A 115 6.784 4.596 -4.510 1.00 0.38 N ATOM 1590 CA ILE A 115 6.215 5.621 -3.643 1.00 0.41 C ATOM 1591 C ILE A 115 6.622 7.012 -4.127 1.00 0.47 C ATOM 1592 O ILE A 115 5.796 7.925 -4.206 1.00 0.55 O ATOM 1593 CB ILE A 115 6.652 5.434 -2.173 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.190 4.068 -1.654 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.095 6.553 -1.300 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.598 3.789 -0.222 1.00 0.44 C ATOM 0 H ILE A 115 7.440 3.966 -4.049 1.00 0.38 H new ATOM 0 HA ILE A 115 5.131 5.521 -3.689 1.00 0.41 H new ATOM 0 HB ILE A 115 7.740 5.476 -2.127 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.104 4.009 -1.731 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.598 3.288 -2.297 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.414 6.403 -0.269 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.466 7.513 -1.659 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.006 6.544 -1.348 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.236 2.805 0.074 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.685 3.815 -0.142 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.168 4.546 0.433 1.00 0.44 H new ATOM 1608 N LYS A 116 7.890 7.151 -4.490 1.00 0.50 N ATOM 1609 CA LYS A 116 8.425 8.428 -4.936 1.00 0.60 C ATOM 1610 C LYS A 116 7.999 8.743 -6.369 1.00 0.57 C ATOM 1611 O LYS A 116 8.136 9.872 -6.830 1.00 0.69 O ATOM 1612 CB LYS A 116 9.948 8.433 -4.819 1.00 0.73 C ATOM 1613 CG LYS A 116 10.484 9.570 -3.966 1.00 1.18 C ATOM 1614 CD LYS A 116 10.189 10.926 -4.587 1.00 1.85 C ATOM 1615 CE LYS A 116 10.469 12.053 -3.610 1.00 2.50 C ATOM 1616 NZ LYS A 116 10.200 13.387 -4.209 1.00 3.13 N ATOM 0 H LYS A 116 8.569 6.390 -4.484 1.00 0.50 H new ATOM 0 HA LYS A 116 8.017 9.206 -4.290 1.00 0.60 H new ATOM 0 HB2 LYS A 116 10.275 7.484 -4.394 1.00 0.73 H new ATOM 0 HB3 LYS A 116 10.381 8.502 -5.817 1.00 0.73 H new ATOM 0 HG2 LYS A 116 10.039 9.520 -2.972 1.00 1.18 H new ATOM 0 HG3 LYS A 116 11.560 9.454 -3.840 1.00 1.18 H new ATOM 0 HD2 LYS A 116 10.797 11.058 -5.482 1.00 1.85 H new ATOM 0 HD3 LYS A 116 9.146 10.965 -4.901 1.00 1.85 H new ATOM 0 HE2 LYS A 116 9.852 11.924 -2.721 1.00 2.50 H new ATOM 0 HE3 LYS A 116 11.509 12.003 -3.287 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 10.436 14.130 -3.521 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 10.782 13.508 -5.063 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 9.194 13.457 -4.463 1.00 3.13 H new ATOM 1630 N GLU A 117 7.508 7.744 -7.087 1.00 0.53 N ATOM 1631 CA GLU A 117 6.969 7.983 -8.417 1.00 0.58 C ATOM 1632 C GLU A 117 5.600 8.639 -8.319 1.00 0.57 C ATOM 1633 O GLU A 117 5.318 9.618 -9.011 1.00 0.66 O ATOM 1634 CB GLU A 117 6.873 6.690 -9.231 1.00 0.70 C ATOM 1635 CG GLU A 117 8.218 6.156 -9.692 1.00 1.28 C ATOM 1636 CD GLU A 117 8.086 5.102 -10.772 1.00 1.51 C ATOM 1637 OE1 GLU A 117 7.690 5.456 -11.902 1.00 2.14 O ATOM 1638 OE2 GLU A 117 8.392 3.927 -10.505 1.00 1.93 O ATOM 0 H GLU A 117 7.471 6.773 -6.777 1.00 0.53 H new ATOM 0 HA GLU A 117 7.655 8.653 -8.935 1.00 0.58 H new ATOM 0 HB2 GLU A 117 6.377 5.929 -8.629 1.00 0.70 H new ATOM 0 HB3 GLU A 117 6.244 6.867 -10.104 1.00 0.70 H new ATOM 0 HG2 GLU A 117 8.824 6.981 -10.067 1.00 1.28 H new ATOM 0 HG3 GLU A 117 8.749 5.733 -8.839 1.00 1.28 H new ATOM 1645 N PHE A 118 4.765 8.117 -7.433 1.00 0.56 N ATOM 1646 CA PHE A 118 3.404 8.616 -7.280 1.00 0.66 C ATOM 1647 C PHE A 118 3.388 10.009 -6.660 1.00 0.73 C ATOM 1648 O PHE A 118 2.501 10.812 -6.948 1.00 0.88 O ATOM 1649 CB PHE A 118 2.569 7.652 -6.434 1.00 0.73 C ATOM 1650 CG PHE A 118 2.039 6.472 -7.205 1.00 0.69 C ATOM 1651 CD1 PHE A 118 2.861 5.404 -7.528 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.712 6.433 -7.602 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.369 4.321 -8.231 1.00 1.57 C ATOM 1654 CE2 PHE A 118 0.215 5.353 -8.305 1.00 1.56 C ATOM 1655 CZ PHE A 118 1.045 4.296 -8.619 1.00 1.41 C ATOM 0 H PHE A 118 5.005 7.347 -6.808 1.00 0.56 H new ATOM 0 HA PHE A 118 2.964 8.684 -8.275 1.00 0.66 H new ATOM 0 HB2 PHE A 118 3.177 7.290 -5.605 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.731 8.197 -5.999 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.898 5.418 -7.227 1.00 1.33 H new ATOM 0 HD2 PHE A 118 0.058 7.257 -7.359 1.00 1.27 H new ATOM 0 HE1 PHE A 118 3.020 3.495 -8.477 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -0.821 5.336 -8.608 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.659 3.450 -9.168 1.00 1.41 H new ATOM 1665 N SER A 119 4.375 10.301 -5.824 1.00 0.69 N ATOM 1666 CA SER A 119 4.449 11.598 -5.165 1.00 0.80 C ATOM 1667 C SER A 119 4.744 12.710 -6.170 1.00 0.79 C ATOM 1668 O SER A 119 4.365 13.863 -5.963 1.00 0.90 O ATOM 1669 CB SER A 119 5.521 11.577 -4.076 1.00 0.93 C ATOM 1670 OG SER A 119 6.790 11.246 -4.614 1.00 1.20 O ATOM 0 H SER A 119 5.133 9.661 -5.587 1.00 0.69 H new ATOM 0 HA SER A 119 3.480 11.800 -4.708 1.00 0.80 H new ATOM 0 HB2 SER A 119 5.571 12.552 -3.592 1.00 0.93 H new ATOM 0 HB3 SER A 119 5.249 10.854 -3.307 1.00 0.93 H new ATOM 0 HG SER A 119 7.201 12.048 -5.000 1.00 1.20 H new ATOM 1676 N GLU A 120 5.407 12.355 -7.267 1.00 0.81 N ATOM 1677 CA GLU A 120 5.797 13.339 -8.269 1.00 0.96 C ATOM 1678 C GLU A 120 4.735 13.467 -9.355 1.00 1.17 C ATOM 1679 O GLU A 120 4.929 14.174 -10.347 1.00 1.50 O ATOM 1680 CB GLU A 120 7.145 12.972 -8.895 1.00 1.08 C ATOM 1681 CG GLU A 120 8.251 12.745 -7.876 1.00 1.41 C ATOM 1682 CD GLU A 120 8.318 13.834 -6.825 1.00 2.00 C ATOM 1683 OE1 GLU A 120 7.951 13.562 -5.660 1.00 2.45 O ATOM 1684 OE2 GLU A 120 8.748 14.960 -7.150 1.00 2.77 O ATOM 0 H GLU A 120 5.684 11.397 -7.483 1.00 0.81 H new ATOM 0 HA GLU A 120 5.894 14.301 -7.766 1.00 0.96 H new ATOM 0 HB2 GLU A 120 7.024 12.069 -9.494 1.00 1.08 H new ATOM 0 HB3 GLU A 120 7.448 13.768 -9.576 1.00 1.08 H new ATOM 0 HG2 GLU A 120 8.095 11.784 -7.386 1.00 1.41 H new ATOM 0 HG3 GLU A 120 9.209 12.687 -8.394 1.00 1.41 H new ATOM 1691 N GLU A 121 3.622 12.773 -9.171 1.00 1.22 N ATOM 1692 CA GLU A 121 2.496 12.890 -10.081 1.00 1.56 C ATOM 1693 C GLU A 121 1.643 14.088 -9.684 1.00 2.02 C ATOM 1694 O GLU A 121 1.885 15.193 -10.211 1.00 2.60 O ATOM 1695 CB GLU A 121 1.653 11.611 -10.068 1.00 1.96 C ATOM 1696 CG GLU A 121 2.380 10.383 -10.601 1.00 2.47 C ATOM 1697 CD GLU A 121 2.767 10.511 -12.062 1.00 3.35 C ATOM 1698 OE1 GLU A 121 3.981 10.546 -12.362 1.00 4.00 O ATOM 1699 OE2 GLU A 121 1.865 10.571 -12.922 1.00 3.84 O ATOM 1700 OXT GLU A 121 0.754 13.927 -8.823 1.00 2.53 O ATOM 0 H GLU A 121 3.476 12.123 -8.399 1.00 1.22 H new ATOM 0 HA GLU A 121 2.874 13.036 -11.093 1.00 1.56 H new ATOM 0 HB2 GLU A 121 1.328 11.413 -9.047 1.00 1.96 H new ATOM 0 HB3 GLU A 121 0.754 11.775 -10.662 1.00 1.96 H new ATOM 0 HG2 GLU A 121 3.278 10.213 -10.007 1.00 2.47 H new ATOM 0 HG3 GLU A 121 1.743 9.507 -10.475 1.00 2.47 H new