USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1085 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 113 ASN : amide:sc= -1.04 K(o=-1.1,f=0.78) USER MOD Set 1.2: A 128 CYS SG : rot -21:sc= -0.014 USER MOD Set 2.1: A 90 LYS NZ :NH3+ -134:sc= 0.901 (180deg=-1.31!) USER MOD Set 2.2: A 121 THR OG1 : rot -74:sc= 0.129 USER MOD Set 3.1: A 67 CYS SG : rot 86:sc= -1.33 USER MOD Set 3.2: A 71 CYS SG : rot 86:sc= -0.171 USER MOD Set 4.1: A 52 THR OG1 : rot -16:sc= 0.819 USER MOD Set 4.2: A 53 ASN : amide:sc= -1.1 K(o=-0.28,f=1.4) USER MOD Set 5.1: A 22 ASN : amide:sc= -1.09 X(o=-1.8,f=-2.2) USER MOD Set 5.2: A 37 TYR OH : rot 180:sc= -0.682 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc=-0.000877 (180deg=-0.0775) USER MOD Single : A 18 LYS NZ :NH3+ -112:sc= 1.05 (180deg=-0.187) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.116) USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= 0.218 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= 0.435 K(o=0.44,f=-4.7!) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc=-0.00328 (180deg=-0.163) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc=-0.00324 (180deg=-0.126) USER MOD Single : A 46 THR OG1 : rot 19:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= -3.67! K(o=-3.7!,f=-1.3) USER MOD Single : A 48 MET CE :methyl -124:sc= -7.76! (180deg=-10.2!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00348 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -5.42! C(o=-5.4!,f=-3.7!) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.694 USER MOD Single : A 61 LYS NZ :NH3+ 166:sc= 0.287 (180deg=0.0116) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.179 K(o=-0.18,f=-0.91) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -3.03! K(o=-3!,f=-1.7) USER MOD Single : A 92 TYR OH : rot 152:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0.984 K(o=0.98,f=-2.8!) USER MOD Single : A 98 SER OG : rot -56:sc= 0.908 USER MOD Single : A 99 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-2.4!) USER MOD Single : A 112 TYR OH : rot -159:sc= -1.75! USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 121:sc= -0.488! USER MOD Single : A 119 HIS : no HE2:sc= -2.1 K(o=-2.1,f=-6.4!) USER MOD Single : A 126 LYS NZ :NH3+ 167:sc= -0.0151 (180deg=-0.209) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 130 GLN : amide:sc= -0.941 X(o=-0.94,f=-1) USER MOD Single : A 133 LYS NZ :NH3+ -134:sc= -1.3 (180deg=-3.52!) USER MOD Single : A 136 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0614) USER MOD Single : A 138 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.359 -6.259 1.448 1.00 1.26 N ATOM 2 CA GLU A 9 25.132 -5.673 0.110 1.00 1.05 C ATOM 3 C GLU A 9 23.909 -4.748 0.146 1.00 0.90 C ATOM 4 O GLU A 9 23.603 -4.165 1.190 1.00 0.98 O ATOM 5 CB GLU A 9 24.952 -6.786 -0.929 1.00 1.37 C ATOM 6 CG GLU A 9 25.322 -6.369 -2.345 1.00 2.20 C ATOM 7 CD GLU A 9 25.198 -7.505 -3.336 1.00 2.80 C ATOM 8 OE1 GLU A 9 24.090 -7.718 -3.862 1.00 3.20 O ATOM 9 OE2 GLU A 9 26.210 -8.188 -3.597 1.00 3.26 O ATOM 0 HA GLU A 9 26.001 -5.080 -0.176 1.00 1.05 H new ATOM 0 HB2 GLU A 9 25.563 -7.642 -0.641 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.914 -7.117 -0.917 1.00 1.37 H new ATOM 0 HG2 GLU A 9 24.678 -5.547 -2.658 1.00 2.20 H new ATOM 0 HG3 GLU A 9 26.345 -5.994 -2.354 1.00 2.20 H new ATOM 18 N ASN A 10 23.197 -4.625 -0.968 1.00 0.79 N ATOM 19 CA ASN A 10 22.124 -3.645 -1.077 1.00 0.66 C ATOM 20 C ASN A 10 20.885 -4.081 -0.306 1.00 0.59 C ATOM 21 O ASN A 10 20.120 -3.241 0.143 1.00 0.53 O ATOM 22 CB ASN A 10 21.762 -3.381 -2.542 1.00 0.62 C ATOM 23 CG ASN A 10 22.928 -2.837 -3.341 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.810 -2.165 -2.804 1.00 1.94 O ATOM 25 ND2 ASN A 10 22.936 -3.114 -4.632 1.00 1.45 N ATOM 0 H ASN A 10 23.343 -5.189 -1.805 1.00 0.79 H new ATOM 0 HA ASN A 10 22.493 -2.719 -0.635 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.414 -4.307 -2.999 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.934 -2.673 -2.586 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.692 -2.768 -5.223 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.186 -3.674 -5.038 1.00 1.45 H new ATOM 32 N LYS A 11 20.689 -5.385 -0.142 1.00 0.63 N ATOM 33 CA LYS A 11 19.535 -5.887 0.609 1.00 0.62 C ATOM 34 C LYS A 11 19.542 -5.345 2.037 1.00 0.62 C ATOM 35 O LYS A 11 18.508 -4.918 2.562 1.00 0.58 O ATOM 36 CB LYS A 11 19.520 -7.417 0.636 1.00 0.71 C ATOM 37 CG LYS A 11 19.417 -8.055 -0.736 1.00 0.79 C ATOM 38 CD LYS A 11 19.423 -9.569 -0.642 1.00 1.12 C ATOM 39 CE LYS A 11 19.263 -10.214 -2.006 1.00 1.50 C ATOM 40 NZ LYS A 11 19.320 -11.698 -1.931 1.00 2.19 N ATOM 0 H LYS A 11 21.304 -6.109 -0.513 1.00 0.63 H new ATOM 0 HA LYS A 11 18.635 -5.539 0.102 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.429 -7.771 1.123 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.681 -7.752 1.245 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.502 -7.723 -1.226 1.00 0.79 H new ATOM 0 HG3 LYS A 11 20.249 -7.724 -1.357 1.00 0.79 H new ATOM 0 HD2 LYS A 11 20.357 -9.902 -0.189 1.00 1.12 H new ATOM 0 HD3 LYS A 11 18.616 -9.897 0.013 1.00 1.12 H new ATOM 0 HE2 LYS A 11 18.311 -9.909 -2.442 1.00 1.50 H new ATOM 0 HE3 LYS A 11 20.048 -9.854 -2.671 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 19.207 -12.098 -2.884 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 20.238 -11.991 -1.539 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 18.555 -12.044 -1.317 1.00 2.19 H new ATOM 54 N LYS A 12 20.714 -5.361 2.657 1.00 0.70 N ATOM 55 CA LYS A 12 20.885 -4.822 3.999 1.00 0.74 C ATOM 56 C LYS A 12 20.660 -3.316 4.001 1.00 0.66 C ATOM 57 O LYS A 12 19.935 -2.782 4.843 1.00 0.63 O ATOM 58 CB LYS A 12 22.291 -5.144 4.515 1.00 0.90 C ATOM 59 CG LYS A 12 22.628 -4.500 5.855 1.00 1.54 C ATOM 60 CD LYS A 12 21.695 -4.963 6.964 1.00 2.02 C ATOM 61 CE LYS A 12 21.806 -6.458 7.203 1.00 2.38 C ATOM 62 NZ LYS A 12 20.931 -6.905 8.315 1.00 2.83 N ATOM 0 H LYS A 12 21.566 -5.744 2.248 1.00 0.70 H new ATOM 0 HA LYS A 12 20.149 -5.283 4.657 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.393 -6.225 4.609 1.00 0.90 H new ATOM 0 HB3 LYS A 12 23.021 -4.818 3.774 1.00 0.90 H new ATOM 0 HG2 LYS A 12 23.657 -4.740 6.124 1.00 1.54 H new ATOM 0 HG3 LYS A 12 22.568 -3.416 5.761 1.00 1.54 H new ATOM 0 HD2 LYS A 12 21.930 -4.429 7.884 1.00 2.02 H new ATOM 0 HD3 LYS A 12 20.667 -4.711 6.704 1.00 2.02 H new ATOM 0 HE2 LYS A 12 21.537 -6.993 6.292 1.00 2.38 H new ATOM 0 HE3 LYS A 12 22.841 -6.714 7.430 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 21.035 -7.931 8.447 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 21.203 -6.414 9.190 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 19.941 -6.684 8.088 1.00 2.83 H new ATOM 76 N GLN A 13 21.279 -2.642 3.043 1.00 0.64 N ATOM 77 CA GLN A 13 21.162 -1.208 2.909 1.00 0.59 C ATOM 78 C GLN A 13 19.720 -0.811 2.583 1.00 0.50 C ATOM 79 O GLN A 13 19.280 0.280 2.925 1.00 0.49 O ATOM 80 CB GLN A 13 22.114 -0.731 1.817 1.00 0.62 C ATOM 81 CG GLN A 13 22.545 0.707 1.983 1.00 0.90 C ATOM 82 CD GLN A 13 23.423 1.188 0.845 1.00 1.51 C ATOM 83 OE1 GLN A 13 24.152 0.406 0.229 1.00 2.07 O ATOM 84 NE2 GLN A 13 23.359 2.476 0.551 1.00 2.26 N ATOM 0 H GLN A 13 21.875 -3.079 2.340 1.00 0.64 H new ATOM 0 HA GLN A 13 21.429 -0.733 3.853 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.998 -1.369 1.812 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.630 -0.848 0.847 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.661 1.342 2.048 1.00 0.90 H new ATOM 0 HG3 GLN A 13 23.085 0.814 2.924 1.00 0.90 H new ATOM 0 HE21 GLN A 13 22.744 3.091 1.084 1.00 2.26 H new ATOM 0 HE22 GLN A 13 23.925 2.854 -0.209 1.00 2.26 H new ATOM 93 N ALA A 14 18.992 -1.710 1.923 1.00 0.46 N ATOM 94 CA ALA A 14 17.590 -1.481 1.589 1.00 0.38 C ATOM 95 C ALA A 14 16.757 -1.341 2.851 1.00 0.39 C ATOM 96 O ALA A 14 15.827 -0.540 2.907 1.00 0.36 O ATOM 97 CB ALA A 14 17.051 -2.616 0.728 1.00 0.36 C ATOM 0 H ALA A 14 19.355 -2.610 1.608 1.00 0.46 H new ATOM 0 HA ALA A 14 17.523 -0.553 1.022 1.00 0.38 H new ATOM 0 HB1 ALA A 14 16.004 -2.427 0.490 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.628 -2.678 -0.195 1.00 0.36 H new ATOM 0 HB3 ALA A 14 17.135 -3.557 1.272 1.00 0.36 H new ATOM 103 N LEU A 15 17.096 -2.131 3.862 1.00 0.45 N ATOM 104 CA LEU A 15 16.434 -2.028 5.152 1.00 0.47 C ATOM 105 C LEU A 15 16.701 -0.645 5.731 1.00 0.49 C ATOM 106 O LEU A 15 15.794 0.015 6.237 1.00 0.49 O ATOM 107 CB LEU A 15 16.934 -3.142 6.090 1.00 0.54 C ATOM 108 CG LEU A 15 16.198 -3.303 7.435 1.00 1.13 C ATOM 109 CD1 LEU A 15 16.679 -2.283 8.457 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.693 -3.186 7.244 1.00 1.31 C ATOM 0 H LEU A 15 17.822 -2.846 3.812 1.00 0.45 H new ATOM 0 HA LEU A 15 15.358 -2.156 5.037 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.873 -4.089 5.554 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.988 -2.961 6.300 1.00 0.54 H new ATOM 0 HG LEU A 15 16.427 -4.298 7.817 1.00 1.13 H new ATOM 0 HD11 LEU A 15 16.140 -2.424 9.394 1.00 1.98 H new ATOM 0 HD12 LEU A 15 17.747 -2.416 8.629 1.00 1.98 H new ATOM 0 HD13 LEU A 15 16.495 -1.277 8.081 1.00 1.98 H new ATOM 0 HD21 LEU A 15 14.194 -3.303 8.206 1.00 1.31 H new ATOM 0 HD22 LEU A 15 14.454 -2.207 6.828 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.351 -3.964 6.561 1.00 1.31 H new ATOM 122 N LYS A 16 17.949 -0.204 5.611 1.00 0.51 N ATOM 123 CA LYS A 16 18.346 1.124 6.058 1.00 0.54 C ATOM 124 C LYS A 16 17.559 2.192 5.303 1.00 0.48 C ATOM 125 O LYS A 16 17.028 3.119 5.908 1.00 0.49 O ATOM 126 CB LYS A 16 19.849 1.326 5.841 1.00 0.62 C ATOM 127 CG LYS A 16 20.366 2.671 6.323 1.00 0.79 C ATOM 128 CD LYS A 16 21.795 2.906 5.867 1.00 1.64 C ATOM 129 CE LYS A 16 22.336 4.239 6.361 1.00 1.89 C ATOM 130 NZ LYS A 16 22.496 4.270 7.838 1.00 2.88 N ATOM 0 H LYS A 16 18.707 -0.752 5.205 1.00 0.51 H new ATOM 0 HA LYS A 16 18.128 1.215 7.122 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.390 0.533 6.358 1.00 0.62 H new ATOM 0 HB3 LYS A 16 20.070 1.223 4.779 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.725 3.467 5.944 1.00 0.79 H new ATOM 0 HG3 LYS A 16 20.317 2.714 7.411 1.00 0.79 H new ATOM 0 HD2 LYS A 16 22.430 2.099 6.232 1.00 1.64 H new ATOM 0 HD3 LYS A 16 21.838 2.878 4.778 1.00 1.64 H new ATOM 0 HE2 LYS A 16 23.299 4.435 5.889 1.00 1.89 H new ATOM 0 HE3 LYS A 16 21.662 5.039 6.054 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 22.976 5.149 8.117 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 21.560 4.228 8.290 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 23.064 3.454 8.143 1.00 2.88 H new ATOM 144 N GLU A 17 17.481 2.047 3.984 1.00 0.42 N ATOM 145 CA GLU A 17 16.742 2.983 3.146 1.00 0.38 C ATOM 146 C GLU A 17 15.260 3.030 3.525 1.00 0.35 C ATOM 147 O GLU A 17 14.656 4.100 3.528 1.00 0.34 O ATOM 148 CB GLU A 17 16.915 2.621 1.666 1.00 0.35 C ATOM 149 CG GLU A 17 18.312 2.881 1.132 1.00 0.39 C ATOM 150 CD GLU A 17 18.837 4.262 1.487 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.126 5.267 1.251 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.969 4.353 2.003 1.00 0.54 O ATOM 0 H GLU A 17 17.924 1.285 3.470 1.00 0.42 H new ATOM 0 HA GLU A 17 17.152 3.979 3.314 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.674 1.567 1.529 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.198 3.192 1.076 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.992 2.127 1.528 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.307 2.768 0.048 1.00 0.39 H new ATOM 159 N LYS A 18 14.672 1.886 3.868 1.00 0.34 N ATOM 160 CA LYS A 18 13.271 1.866 4.281 1.00 0.34 C ATOM 161 C LYS A 18 13.098 2.592 5.613 1.00 0.40 C ATOM 162 O LYS A 18 12.118 3.307 5.816 1.00 0.41 O ATOM 163 CB LYS A 18 12.727 0.439 4.396 1.00 0.34 C ATOM 164 CG LYS A 18 11.224 0.401 4.648 1.00 0.33 C ATOM 165 CD LYS A 18 10.745 -0.959 5.134 1.00 0.36 C ATOM 166 CE LYS A 18 11.278 -1.281 6.520 1.00 0.50 C ATOM 167 NZ LYS A 18 10.816 -0.296 7.536 1.00 0.80 N ATOM 0 H LYS A 18 15.134 0.976 3.869 1.00 0.34 H new ATOM 0 HA LYS A 18 12.700 2.381 3.508 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.951 -0.106 3.479 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.240 -0.077 5.207 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.964 1.159 5.387 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.699 0.660 3.729 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.655 -0.976 5.150 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.066 -1.730 4.433 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.954 -2.281 6.810 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.368 -1.293 6.496 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 11.626 0.264 7.870 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.110 0.337 7.110 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 10.389 -0.800 8.339 1.00 0.80 H new ATOM 181 N GLU A 19 14.055 2.407 6.516 1.00 0.46 N ATOM 182 CA GLU A 19 14.043 3.100 7.800 1.00 0.52 C ATOM 183 C GLU A 19 14.226 4.597 7.593 1.00 0.50 C ATOM 184 O GLU A 19 13.505 5.400 8.174 1.00 0.53 O ATOM 185 CB GLU A 19 15.144 2.557 8.710 1.00 0.58 C ATOM 186 CG GLU A 19 15.006 1.075 9.020 1.00 0.63 C ATOM 187 CD GLU A 19 13.770 0.763 9.837 1.00 1.32 C ATOM 188 OE1 GLU A 19 13.812 0.937 11.072 1.00 1.29 O ATOM 189 OE2 GLU A 19 12.747 0.348 9.254 1.00 2.32 O ATOM 0 H GLU A 19 14.850 1.782 6.382 1.00 0.46 H new ATOM 0 HA GLU A 19 13.079 2.926 8.278 1.00 0.52 H new ATOM 0 HB2 GLU A 19 16.111 2.732 8.239 1.00 0.58 H new ATOM 0 HB3 GLU A 19 15.139 3.117 9.645 1.00 0.58 H new ATOM 0 HG2 GLU A 19 14.971 0.514 8.086 1.00 0.63 H new ATOM 0 HG3 GLU A 19 15.890 0.737 9.561 1.00 0.63 H new ATOM 196 N LEU A 20 15.186 4.956 6.751 1.00 0.47 N ATOM 197 CA LEU A 20 15.415 6.347 6.383 1.00 0.46 C ATOM 198 C LEU A 20 14.165 6.943 5.745 1.00 0.43 C ATOM 199 O LEU A 20 13.803 8.091 6.010 1.00 0.45 O ATOM 200 CB LEU A 20 16.593 6.450 5.403 1.00 0.45 C ATOM 201 CG LEU A 20 17.950 6.813 6.006 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.877 8.163 6.692 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.428 5.740 6.972 1.00 0.60 C ATOM 0 H LEU A 20 15.824 4.296 6.306 1.00 0.47 H new ATOM 0 HA LEU A 20 15.651 6.906 7.288 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.693 5.495 4.888 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.345 7.195 4.648 1.00 0.45 H new ATOM 0 HG LEU A 20 18.677 6.874 5.196 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.850 8.408 7.117 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.595 8.925 5.966 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.133 8.127 7.487 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.395 6.027 7.384 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.706 5.632 7.782 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.525 4.792 6.443 1.00 0.60 H new ATOM 215 N GLY A 21 13.521 6.150 4.897 1.00 0.39 N ATOM 216 CA GLY A 21 12.283 6.561 4.271 1.00 0.37 C ATOM 217 C GLY A 21 11.177 6.767 5.280 1.00 0.40 C ATOM 218 O GLY A 21 10.575 7.831 5.331 1.00 0.41 O ATOM 0 H GLY A 21 13.841 5.219 4.631 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.446 7.486 3.719 1.00 0.37 H new ATOM 0 HA3 GLY A 21 11.976 5.807 3.546 1.00 0.37 H new ATOM 222 N ASN A 22 10.932 5.760 6.106 1.00 0.43 N ATOM 223 CA ASN A 22 9.858 5.822 7.092 1.00 0.47 C ATOM 224 C ASN A 22 10.137 6.917 8.116 1.00 0.53 C ATOM 225 O ASN A 22 9.222 7.537 8.648 1.00 0.56 O ATOM 226 CB ASN A 22 9.699 4.471 7.796 1.00 0.52 C ATOM 227 CG ASN A 22 8.431 4.392 8.628 1.00 0.59 C ATOM 228 OD1 ASN A 22 7.434 5.044 8.330 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.456 3.578 9.670 1.00 1.23 N ATOM 0 H ASN A 22 11.462 4.889 6.114 1.00 0.43 H new ATOM 0 HA ASN A 22 8.929 6.057 6.573 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.690 3.676 7.051 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.562 4.296 8.438 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.628 3.476 10.257 1.00 1.23 H new ATOM 0 HD22 ASN A 22 9.303 3.052 9.886 1.00 1.23 H new ATOM 236 N ASP A 23 11.412 7.150 8.375 1.00 0.54 N ATOM 237 CA ASP A 23 11.842 8.213 9.273 1.00 0.59 C ATOM 238 C ASP A 23 11.412 9.573 8.731 1.00 0.58 C ATOM 239 O ASP A 23 10.805 10.377 9.437 1.00 0.62 O ATOM 240 CB ASP A 23 13.359 8.169 9.417 1.00 0.61 C ATOM 241 CG ASP A 23 13.879 9.152 10.444 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.716 8.898 11.655 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.473 10.175 10.047 1.00 0.79 O ATOM 0 H ASP A 23 12.178 6.611 7.971 1.00 0.54 H new ATOM 0 HA ASP A 23 11.377 8.066 10.248 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.664 7.161 9.699 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.817 8.383 8.451 1.00 0.61 H new ATOM 248 N ALA A 24 11.727 9.812 7.463 1.00 0.53 N ATOM 249 CA ALA A 24 11.322 11.031 6.772 1.00 0.53 C ATOM 250 C ALA A 24 9.801 11.099 6.677 1.00 0.53 C ATOM 251 O ALA A 24 9.197 12.155 6.853 1.00 0.58 O ATOM 252 CB ALA A 24 11.955 11.064 5.391 1.00 0.49 C ATOM 0 H ALA A 24 12.269 9.168 6.886 1.00 0.53 H new ATOM 0 HA ALA A 24 11.664 11.900 7.334 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.653 11.975 4.874 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.041 11.045 5.488 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.626 10.196 4.819 1.00 0.49 H new ATOM 258 N TYR A 25 9.207 9.945 6.420 1.00 0.48 N ATOM 259 CA TYR A 25 7.758 9.768 6.366 1.00 0.49 C ATOM 260 C TYR A 25 7.101 10.282 7.652 1.00 0.59 C ATOM 261 O TYR A 25 6.065 10.947 7.615 1.00 0.63 O ATOM 262 CB TYR A 25 7.495 8.273 6.169 1.00 0.46 C ATOM 263 CG TYR A 25 6.057 7.857 6.008 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.448 7.890 4.764 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.329 7.383 7.087 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.146 7.470 4.597 1.00 0.45 C ATOM 267 CE2 TYR A 25 4.027 6.953 6.930 1.00 0.68 C ATOM 268 CZ TYR A 25 3.439 6.999 5.682 1.00 0.54 C ATOM 269 OH TYR A 25 2.142 6.563 5.519 1.00 0.63 O ATOM 0 H TYR A 25 9.726 9.086 6.239 1.00 0.48 H new ATOM 0 HA TYR A 25 7.327 10.340 5.544 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.046 7.943 5.288 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.911 7.738 7.023 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.003 8.251 3.911 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.787 7.349 8.065 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.683 7.510 3.622 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.471 6.583 7.779 1.00 0.68 H new ATOM 0 HH TYR A 25 1.787 6.262 6.382 1.00 0.63 H new ATOM 279 N LYS A 26 7.741 9.994 8.777 1.00 0.65 N ATOM 280 CA LYS A 26 7.253 10.409 10.090 1.00 0.77 C ATOM 281 C LYS A 26 7.452 11.905 10.325 1.00 0.81 C ATOM 282 O LYS A 26 6.855 12.483 11.231 1.00 0.94 O ATOM 283 CB LYS A 26 7.981 9.624 11.178 1.00 0.82 C ATOM 284 CG LYS A 26 7.645 8.148 11.187 1.00 0.86 C ATOM 285 CD LYS A 26 8.564 7.379 12.116 1.00 1.03 C ATOM 286 CE LYS A 26 8.261 5.895 12.080 1.00 0.90 C ATOM 287 NZ LYS A 26 6.910 5.589 12.623 1.00 1.62 N ATOM 0 H LYS A 26 8.613 9.466 8.808 1.00 0.65 H new ATOM 0 HA LYS A 26 6.183 10.203 10.126 1.00 0.77 H new ATOM 0 HB2 LYS A 26 9.056 9.743 11.043 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.733 10.051 12.150 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.610 8.010 11.500 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.728 7.748 10.177 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.602 7.548 11.828 1.00 1.03 H new ATOM 0 HD3 LYS A 26 8.451 7.751 13.134 1.00 1.03 H new ATOM 0 HE2 LYS A 26 8.329 5.536 11.053 1.00 0.90 H new ATOM 0 HE3 LYS A 26 9.014 5.357 12.656 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 6.813 4.562 12.754 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 6.787 6.068 13.538 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 6.184 5.923 11.957 1.00 1.62 H new ATOM 301 N LYS A 27 8.291 12.524 9.513 1.00 0.75 N ATOM 302 CA LYS A 27 8.623 13.934 9.684 1.00 0.80 C ATOM 303 C LYS A 27 7.955 14.787 8.614 1.00 0.79 C ATOM 304 O LYS A 27 8.323 15.944 8.420 1.00 0.84 O ATOM 305 CB LYS A 27 10.138 14.125 9.622 1.00 0.80 C ATOM 306 CG LYS A 27 10.892 13.396 10.719 1.00 1.16 C ATOM 307 CD LYS A 27 12.397 13.587 10.594 1.00 1.58 C ATOM 308 CE LYS A 27 12.934 12.979 9.305 1.00 1.93 C ATOM 309 NZ LYS A 27 14.412 13.105 9.200 1.00 2.31 N ATOM 0 H LYS A 27 8.758 12.074 8.726 1.00 0.75 H new ATOM 0 HA LYS A 27 8.255 14.253 10.659 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.499 13.779 8.654 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.364 15.190 9.684 1.00 0.80 H new ATOM 0 HG2 LYS A 27 10.559 13.759 11.692 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.656 12.333 10.677 1.00 1.16 H new ATOM 0 HD2 LYS A 27 12.633 14.651 10.621 1.00 1.58 H new ATOM 0 HD3 LYS A 27 12.895 13.128 11.448 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.656 11.926 9.258 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.467 13.470 8.451 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 14.668 13.390 8.233 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 14.748 13.823 9.873 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 14.855 12.190 9.420 1.00 2.31 H new ATOM 323 N LYS A 28 6.975 14.205 7.924 1.00 0.77 N ATOM 324 CA LYS A 28 6.288 14.869 6.815 1.00 0.80 C ATOM 325 C LYS A 28 7.244 15.181 5.668 1.00 0.71 C ATOM 326 O LYS A 28 6.931 15.978 4.784 1.00 0.75 O ATOM 327 CB LYS A 28 5.587 16.132 7.293 1.00 0.96 C ATOM 328 CG LYS A 28 4.395 15.853 8.187 1.00 1.07 C ATOM 329 CD LYS A 28 3.869 17.125 8.817 1.00 1.24 C ATOM 330 CE LYS A 28 2.584 16.875 9.590 1.00 1.77 C ATOM 331 NZ LYS A 28 2.057 18.116 10.213 1.00 2.39 N ATOM 0 H LYS A 28 6.635 13.263 8.117 1.00 0.77 H new ATOM 0 HA LYS A 28 5.534 14.179 6.435 1.00 0.80 H new ATOM 0 HB2 LYS A 28 6.301 16.753 7.834 1.00 0.96 H new ATOM 0 HB3 LYS A 28 5.257 16.706 6.427 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.604 15.379 7.605 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.681 15.149 8.969 1.00 1.07 H new ATOM 0 HD2 LYS A 28 4.623 17.539 9.487 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.689 17.869 8.041 1.00 1.24 H new ATOM 0 HE2 LYS A 28 1.833 16.459 8.919 1.00 1.77 H new ATOM 0 HE3 LYS A 28 2.766 16.130 10.365 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 1.181 17.900 10.730 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 2.763 18.500 10.873 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.858 18.819 9.473 1.00 2.39 H new ATOM 345 N ASP A 29 8.402 14.538 5.678 1.00 0.64 N ATOM 346 CA ASP A 29 9.329 14.610 4.568 1.00 0.59 C ATOM 347 C ASP A 29 8.951 13.550 3.550 1.00 0.50 C ATOM 348 O ASP A 29 9.748 12.678 3.221 1.00 0.47 O ATOM 349 CB ASP A 29 10.769 14.398 5.047 1.00 0.60 C ATOM 350 CG ASP A 29 11.370 15.638 5.670 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.110 15.896 6.861 1.00 1.62 O ATOM 352 OD2 ASP A 29 12.103 16.366 4.964 1.00 1.39 O ATOM 0 H ASP A 29 8.721 13.956 6.453 1.00 0.64 H new ATOM 0 HA ASP A 29 9.273 15.599 4.113 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.789 13.586 5.774 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.385 14.086 4.204 1.00 0.60 H new ATOM 357 N PHE A 30 7.719 13.637 3.063 1.00 0.49 N ATOM 358 CA PHE A 30 7.133 12.589 2.240 1.00 0.44 C ATOM 359 C PHE A 30 7.917 12.352 0.955 1.00 0.42 C ATOM 360 O PHE A 30 8.103 11.208 0.552 1.00 0.43 O ATOM 361 CB PHE A 30 5.665 12.902 1.943 1.00 0.45 C ATOM 362 CG PHE A 30 4.799 12.865 3.175 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.475 11.655 3.766 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.315 14.031 3.743 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.684 11.608 4.898 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.522 13.991 4.874 1.00 0.71 C ATOM 367 CZ PHE A 30 3.206 12.778 5.452 1.00 0.66 C ATOM 0 H PHE A 30 7.102 14.432 3.227 1.00 0.49 H new ATOM 0 HA PHE A 30 7.184 11.661 2.810 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.594 13.888 1.484 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.285 12.184 1.216 1.00 0.45 H new ATOM 0 HD1 PHE A 30 4.846 10.736 3.336 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.560 14.983 3.297 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.440 10.657 5.348 1.00 0.58 H new ATOM 0 HE2 PHE A 30 3.150 14.908 5.305 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.586 12.745 6.336 1.00 0.66 H new ATOM 377 N ASP A 31 8.399 13.413 0.322 1.00 0.46 N ATOM 378 CA ASP A 31 9.203 13.255 -0.888 1.00 0.48 C ATOM 379 C ASP A 31 10.477 12.485 -0.576 1.00 0.44 C ATOM 380 O ASP A 31 10.838 11.545 -1.278 1.00 0.42 O ATOM 381 CB ASP A 31 9.566 14.603 -1.503 1.00 0.57 C ATOM 382 CG ASP A 31 8.377 15.316 -2.108 1.00 1.30 C ATOM 383 OD1 ASP A 31 8.013 15.002 -3.262 1.00 1.93 O ATOM 384 OD2 ASP A 31 7.810 16.207 -1.444 1.00 1.61 O ATOM 0 H ASP A 31 8.252 14.378 0.618 1.00 0.46 H new ATOM 0 HA ASP A 31 8.602 12.700 -1.608 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.012 15.237 -0.737 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.323 14.453 -2.273 1.00 0.57 H new ATOM 389 N THR A 32 11.139 12.889 0.493 1.00 0.45 N ATOM 390 CA THR A 32 12.364 12.243 0.944 1.00 0.45 C ATOM 391 C THR A 32 12.085 10.811 1.409 1.00 0.39 C ATOM 392 O THR A 32 12.879 9.900 1.168 1.00 0.38 O ATOM 393 CB THR A 32 12.984 13.061 2.088 1.00 0.50 C ATOM 394 OG1 THR A 32 13.257 14.393 1.631 1.00 0.57 O ATOM 395 CG2 THR A 32 14.260 12.424 2.607 1.00 0.52 C ATOM 0 H THR A 32 10.845 13.674 1.075 1.00 0.45 H new ATOM 0 HA THR A 32 13.064 12.197 0.110 1.00 0.45 H new ATOM 0 HB THR A 32 12.268 13.088 2.910 1.00 0.50 H new ATOM 0 HG1 THR A 32 13.651 14.915 2.361 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.668 13.032 3.415 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.041 11.424 2.981 1.00 0.52 H new ATOM 0 HG23 THR A 32 14.989 12.358 1.799 1.00 0.52 H new ATOM 403 N ALA A 33 10.951 10.624 2.070 1.00 0.38 N ATOM 404 CA ALA A 33 10.505 9.302 2.488 1.00 0.36 C ATOM 405 C ALA A 33 10.354 8.398 1.285 1.00 0.30 C ATOM 406 O ALA A 33 10.948 7.322 1.213 1.00 0.28 O ATOM 407 CB ALA A 33 9.178 9.404 3.216 1.00 0.39 C ATOM 0 H ALA A 33 10.317 11.380 2.330 1.00 0.38 H new ATOM 0 HA ALA A 33 11.252 8.881 3.161 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.854 8.410 3.524 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.294 10.037 4.096 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.431 9.839 2.552 1.00 0.39 H new ATOM 413 N LEU A 34 9.573 8.877 0.332 1.00 0.29 N ATOM 414 CA LEU A 34 9.315 8.175 -0.908 1.00 0.26 C ATOM 415 C LEU A 34 10.620 7.933 -1.658 1.00 0.26 C ATOM 416 O LEU A 34 10.763 6.958 -2.387 1.00 0.26 O ATOM 417 CB LEU A 34 8.361 9.019 -1.748 1.00 0.28 C ATOM 418 CG LEU A 34 7.549 8.270 -2.796 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.142 8.458 -4.174 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.458 6.798 -2.457 1.00 0.53 C ATOM 0 H LEU A 34 9.096 9.776 0.401 1.00 0.29 H new ATOM 0 HA LEU A 34 8.864 7.204 -0.702 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.669 9.526 -1.076 1.00 0.28 H new ATOM 0 HB3 LEU A 34 8.940 9.793 -2.252 1.00 0.28 H new ATOM 0 HG LEU A 34 6.541 8.685 -2.797 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.544 7.913 -4.905 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.146 9.518 -4.427 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.164 8.078 -4.185 1.00 0.81 H new ATOM 0 HD21 LEU A 34 6.873 6.284 -3.220 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.460 6.371 -2.419 1.00 0.53 H new ATOM 0 HD23 LEU A 34 6.975 6.677 -1.487 1.00 0.53 H new ATOM 432 N LYS A 35 11.571 8.824 -1.445 1.00 0.31 N ATOM 433 CA LYS A 35 12.859 8.763 -2.111 1.00 0.33 C ATOM 434 C LYS A 35 13.705 7.612 -1.572 1.00 0.29 C ATOM 435 O LYS A 35 14.311 6.869 -2.343 1.00 0.30 O ATOM 436 CB LYS A 35 13.591 10.090 -1.907 1.00 0.40 C ATOM 437 CG LYS A 35 14.326 10.597 -3.132 1.00 0.49 C ATOM 438 CD LYS A 35 13.371 10.918 -4.274 1.00 0.53 C ATOM 439 CE LYS A 35 12.397 12.027 -3.901 1.00 0.60 C ATOM 440 NZ LYS A 35 11.533 12.408 -5.045 1.00 1.41 N ATOM 0 H LYS A 35 11.472 9.611 -0.804 1.00 0.31 H new ATOM 0 HA LYS A 35 12.696 8.588 -3.174 1.00 0.33 H new ATOM 0 HB2 LYS A 35 12.869 10.844 -1.594 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.305 9.975 -1.092 1.00 0.40 H new ATOM 0 HG2 LYS A 35 14.893 11.490 -2.871 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.045 9.847 -3.460 1.00 0.49 H new ATOM 0 HD2 LYS A 35 13.943 11.216 -5.153 1.00 0.53 H new ATOM 0 HD3 LYS A 35 12.814 10.021 -4.545 1.00 0.53 H new ATOM 0 HE2 LYS A 35 11.774 11.699 -3.068 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.953 12.900 -3.559 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 10.883 13.166 -4.752 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 12.126 12.744 -5.831 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 10.983 11.581 -5.355 1.00 1.41 H new ATOM 454 N HIS A 36 13.752 7.465 -0.249 1.00 0.29 N ATOM 455 CA HIS A 36 14.489 6.353 0.353 1.00 0.29 C ATOM 456 C HIS A 36 13.723 5.065 0.163 1.00 0.25 C ATOM 457 O HIS A 36 14.307 4.001 0.043 1.00 0.27 O ATOM 458 CB HIS A 36 14.739 6.549 1.843 1.00 0.38 C ATOM 459 CG HIS A 36 15.632 7.689 2.181 1.00 0.38 C ATOM 460 ND1 HIS A 36 16.997 7.653 2.016 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.341 8.899 2.693 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.512 8.800 2.413 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.528 9.579 2.829 1.00 0.46 N ATOM 0 H HIS A 36 13.298 8.089 0.417 1.00 0.29 H new ATOM 0 HA HIS A 36 15.455 6.312 -0.150 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.781 6.696 2.342 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.172 5.634 2.248 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.527 6.864 1.645 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.359 9.267 2.949 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.560 9.059 2.400 1.00 0.47 H new ATOM 472 N TYR A 37 12.406 5.171 0.159 1.00 0.22 N ATOM 473 CA TYR A 37 11.559 4.037 -0.154 1.00 0.21 C ATOM 474 C TYR A 37 11.846 3.558 -1.572 1.00 0.21 C ATOM 475 O TYR A 37 11.916 2.357 -1.840 1.00 0.24 O ATOM 476 CB TYR A 37 10.091 4.426 -0.019 1.00 0.22 C ATOM 477 CG TYR A 37 9.562 4.468 1.400 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.178 3.779 2.443 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.403 5.168 1.683 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.645 3.800 3.719 1.00 0.40 C ATOM 481 CE2 TYR A 37 7.862 5.182 2.949 1.00 0.41 C ATOM 482 CZ TYR A 37 8.481 4.501 3.961 1.00 0.36 C ATOM 483 OH TYR A 37 7.920 4.499 5.213 1.00 0.48 O ATOM 0 H TYR A 37 11.901 6.032 0.369 1.00 0.22 H new ATOM 0 HA TYR A 37 11.772 3.229 0.546 1.00 0.21 H new ATOM 0 HB2 TYR A 37 9.949 5.407 -0.472 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.491 3.720 -0.593 1.00 0.22 H new ATOM 0 HD1 TYR A 37 11.083 3.222 2.252 1.00 0.33 H new ATOM 0 HD2 TYR A 37 7.911 5.716 0.893 1.00 0.37 H new ATOM 0 HE1 TYR A 37 10.137 3.271 4.522 1.00 0.40 H new ATOM 0 HE2 TYR A 37 6.951 5.729 3.143 1.00 0.41 H new ATOM 0 HH TYR A 37 7.105 5.043 5.207 1.00 0.48 H new ATOM 493 N ASP A 38 12.007 4.517 -2.471 1.00 0.25 N ATOM 494 CA ASP A 38 12.384 4.242 -3.851 1.00 0.31 C ATOM 495 C ASP A 38 13.777 3.637 -3.904 1.00 0.30 C ATOM 496 O ASP A 38 14.039 2.696 -4.656 1.00 0.32 O ATOM 497 CB ASP A 38 12.362 5.536 -4.661 1.00 0.42 C ATOM 498 CG ASP A 38 12.688 5.319 -6.123 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.939 4.580 -6.793 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.697 5.873 -6.609 1.00 1.51 O ATOM 0 H ASP A 38 11.880 5.508 -2.265 1.00 0.25 H new ATOM 0 HA ASP A 38 11.671 3.535 -4.274 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.377 5.995 -4.577 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.078 6.238 -4.234 1.00 0.42 H new ATOM 505 N LYS A 39 14.662 4.192 -3.089 1.00 0.30 N ATOM 506 CA LYS A 39 16.031 3.718 -2.988 1.00 0.32 C ATOM 507 C LYS A 39 16.056 2.284 -2.470 1.00 0.29 C ATOM 508 O LYS A 39 16.753 1.437 -3.010 1.00 0.32 O ATOM 509 CB LYS A 39 16.830 4.637 -2.061 1.00 0.35 C ATOM 510 CG LYS A 39 18.323 4.384 -2.097 1.00 0.41 C ATOM 511 CD LYS A 39 18.873 4.524 -3.505 1.00 0.47 C ATOM 512 CE LYS A 39 20.366 4.290 -3.538 1.00 0.54 C ATOM 513 NZ LYS A 39 21.112 5.335 -2.788 1.00 1.25 N ATOM 0 H LYS A 39 14.450 4.983 -2.480 1.00 0.30 H new ATOM 0 HA LYS A 39 16.488 3.733 -3.978 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.639 5.674 -2.338 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.473 4.509 -1.039 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.829 5.087 -1.435 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.533 3.383 -1.720 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.377 3.812 -4.164 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.650 5.520 -3.887 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.589 3.311 -3.114 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.707 4.274 -4.573 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.127 5.258 -3.001 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.770 6.276 -3.070 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 20.962 5.204 -1.767 1.00 1.25 H new ATOM 527 N ALA A 40 15.267 2.019 -1.439 1.00 0.25 N ATOM 528 CA ALA A 40 15.166 0.686 -0.863 1.00 0.24 C ATOM 529 C ALA A 40 14.659 -0.311 -1.898 1.00 0.22 C ATOM 530 O ALA A 40 15.066 -1.467 -1.903 1.00 0.26 O ATOM 531 CB ALA A 40 14.258 0.705 0.362 1.00 0.22 C ATOM 0 H ALA A 40 14.682 2.717 -0.980 1.00 0.25 H new ATOM 0 HA ALA A 40 16.160 0.369 -0.549 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.192 -0.299 0.782 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.669 1.384 1.109 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.263 1.043 0.072 1.00 0.22 H new ATOM 537 N LYS A 41 13.779 0.151 -2.780 1.00 0.23 N ATOM 538 CA LYS A 41 13.283 -0.674 -3.878 1.00 0.26 C ATOM 539 C LYS A 41 14.388 -0.927 -4.900 1.00 0.31 C ATOM 540 O LYS A 41 14.454 -1.986 -5.514 1.00 0.37 O ATOM 541 CB LYS A 41 12.104 0.010 -4.562 1.00 0.29 C ATOM 542 CG LYS A 41 11.561 -0.745 -5.763 1.00 0.41 C ATOM 543 CD LYS A 41 10.371 -0.027 -6.367 1.00 0.78 C ATOM 544 CE LYS A 41 9.890 -0.703 -7.634 1.00 0.89 C ATOM 545 NZ LYS A 41 10.868 -0.561 -8.747 1.00 1.37 N ATOM 0 H LYS A 41 13.393 1.095 -2.756 1.00 0.23 H new ATOM 0 HA LYS A 41 12.956 -1.629 -3.466 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.302 0.141 -3.835 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.411 1.006 -4.881 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.344 -0.852 -6.513 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.268 -1.751 -5.462 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.559 0.004 -5.641 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.643 1.006 -6.587 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.716 -1.761 -7.437 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.934 -0.273 -7.934 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 10.433 -0.885 -9.634 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 11.144 0.437 -8.841 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.711 -1.136 -8.544 1.00 1.37 H new ATOM 559 N GLU A 42 15.245 0.062 -5.084 1.00 0.32 N ATOM 560 CA GLU A 42 16.371 -0.061 -5.996 1.00 0.38 C ATOM 561 C GLU A 42 17.410 -1.011 -5.405 1.00 0.40 C ATOM 562 O GLU A 42 18.101 -1.729 -6.126 1.00 0.50 O ATOM 563 CB GLU A 42 16.982 1.320 -6.253 1.00 0.43 C ATOM 564 CG GLU A 42 18.116 1.328 -7.265 1.00 1.11 C ATOM 565 CD GLU A 42 17.693 0.826 -8.631 1.00 1.81 C ATOM 566 OE1 GLU A 42 16.619 1.236 -9.119 1.00 2.78 O ATOM 567 OE2 GLU A 42 18.449 0.036 -9.237 1.00 2.03 O ATOM 0 H GLU A 42 15.183 0.964 -4.612 1.00 0.32 H new ATOM 0 HA GLU A 42 16.028 -0.470 -6.947 1.00 0.38 H new ATOM 0 HB2 GLU A 42 16.197 1.992 -6.600 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.351 1.722 -5.309 1.00 0.43 H new ATOM 0 HG2 GLU A 42 18.503 2.342 -7.361 1.00 1.11 H new ATOM 0 HG3 GLU A 42 18.932 0.709 -6.893 1.00 1.11 H new ATOM 574 N LEU A 43 17.497 -1.013 -4.084 1.00 0.36 N ATOM 575 CA LEU A 43 18.425 -1.881 -3.374 1.00 0.39 C ATOM 576 C LEU A 43 17.891 -3.305 -3.301 1.00 0.39 C ATOM 577 O LEU A 43 18.620 -4.261 -3.578 1.00 0.49 O ATOM 578 CB LEU A 43 18.711 -1.330 -1.982 1.00 0.39 C ATOM 579 CG LEU A 43 19.857 -0.322 -1.923 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.613 0.807 -2.887 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.002 0.225 -0.531 1.00 0.45 C ATOM 0 H LEU A 43 16.932 -0.419 -3.478 1.00 0.36 H new ATOM 0 HA LEU A 43 19.363 -1.907 -3.929 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.807 -0.856 -1.600 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.941 -2.162 -1.316 1.00 0.39 H new ATOM 0 HG LEU A 43 20.778 -0.835 -2.202 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.439 1.517 -2.833 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.541 0.411 -3.900 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.683 1.312 -2.628 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.823 0.942 -0.505 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.077 0.722 -0.237 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.211 -0.591 0.161 1.00 0.45 H new ATOM 593 N ASP A 44 16.625 -3.451 -2.930 1.00 0.32 N ATOM 594 CA ASP A 44 15.977 -4.750 -2.983 1.00 0.33 C ATOM 595 C ASP A 44 14.549 -4.632 -3.504 1.00 0.32 C ATOM 596 O ASP A 44 13.615 -4.350 -2.752 1.00 0.33 O ATOM 597 CB ASP A 44 15.981 -5.460 -1.631 1.00 0.40 C ATOM 598 CG ASP A 44 15.614 -6.928 -1.768 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.413 -7.255 -1.686 1.00 0.52 O ATOM 600 OD2 ASP A 44 16.521 -7.768 -1.942 1.00 1.11 O ATOM 0 H ASP A 44 16.033 -2.692 -2.592 1.00 0.32 H new ATOM 0 HA ASP A 44 16.560 -5.356 -3.677 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.968 -5.372 -1.176 1.00 0.40 H new ATOM 0 HB3 ASP A 44 15.276 -4.969 -0.960 1.00 0.40 H new ATOM 605 N PRO A 45 14.370 -4.851 -4.813 1.00 0.41 N ATOM 606 CA PRO A 45 13.067 -4.752 -5.475 1.00 0.49 C ATOM 607 C PRO A 45 12.179 -5.960 -5.211 1.00 0.47 C ATOM 608 O PRO A 45 11.024 -5.996 -5.632 1.00 0.59 O ATOM 609 CB PRO A 45 13.443 -4.700 -6.952 1.00 0.64 C ATOM 610 CG PRO A 45 14.689 -5.508 -7.025 1.00 0.63 C ATOM 611 CD PRO A 45 15.437 -5.205 -5.762 1.00 0.52 C ATOM 0 HA PRO A 45 12.494 -3.895 -5.119 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.657 -5.118 -7.581 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.609 -3.676 -7.288 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.463 -6.572 -7.102 1.00 0.63 H new ATOM 0 HG3 PRO A 45 15.278 -5.243 -7.903 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.012 -6.065 -5.419 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.142 -4.385 -5.899 1.00 0.52 H new ATOM 619 N THR A 46 12.728 -6.954 -4.533 1.00 0.39 N ATOM 620 CA THR A 46 11.994 -8.170 -4.242 1.00 0.40 C ATOM 621 C THR A 46 11.338 -8.088 -2.870 1.00 0.40 C ATOM 622 O THR A 46 10.551 -8.955 -2.483 1.00 0.42 O ATOM 623 CB THR A 46 12.911 -9.397 -4.327 1.00 0.42 C ATOM 624 OG1 THR A 46 14.076 -9.213 -3.507 1.00 0.45 O ATOM 625 CG2 THR A 46 13.340 -9.641 -5.767 1.00 0.46 C ATOM 0 H THR A 46 13.683 -6.941 -4.174 1.00 0.39 H new ATOM 0 HA THR A 46 11.211 -8.278 -4.992 1.00 0.40 H new ATOM 0 HB THR A 46 12.353 -10.262 -3.967 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.907 -8.502 -2.854 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.990 -10.515 -5.810 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.459 -9.814 -6.385 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.879 -8.769 -6.139 1.00 0.46 H new ATOM 633 N ASN A 47 11.669 -7.031 -2.145 1.00 0.52 N ATOM 634 CA ASN A 47 11.061 -6.765 -0.856 1.00 0.56 C ATOM 635 C ASN A 47 9.849 -5.876 -1.049 1.00 0.56 C ATOM 636 O ASN A 47 9.961 -4.647 -1.063 1.00 0.89 O ATOM 637 CB ASN A 47 12.064 -6.096 0.079 1.00 0.78 C ATOM 638 CG ASN A 47 11.595 -6.072 1.517 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.838 -7.007 2.275 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.937 -4.997 1.911 1.00 1.47 N ATOM 0 H ASN A 47 12.362 -6.340 -2.433 1.00 0.52 H new ATOM 0 HA ASN A 47 10.751 -7.707 -0.404 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.016 -6.623 0.020 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.243 -5.075 -0.258 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.611 -4.923 2.875 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.754 -4.241 1.252 1.00 1.47 H new ATOM 647 N MET A 48 8.693 -6.509 -1.193 1.00 0.29 N ATOM 648 CA MET A 48 7.453 -5.808 -1.505 1.00 0.26 C ATOM 649 C MET A 48 7.160 -4.701 -0.496 1.00 0.24 C ATOM 650 O MET A 48 6.518 -3.703 -0.825 1.00 0.24 O ATOM 651 CB MET A 48 6.284 -6.783 -1.532 1.00 0.22 C ATOM 652 CG MET A 48 5.764 -7.170 -0.158 1.00 0.19 C ATOM 653 SD MET A 48 4.229 -8.097 -0.248 1.00 1.05 S ATOM 654 CE MET A 48 3.173 -6.891 -1.046 1.00 0.27 C ATOM 0 H MET A 48 8.587 -7.519 -1.098 1.00 0.29 H new ATOM 0 HA MET A 48 7.578 -5.354 -2.488 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.469 -6.340 -2.105 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.591 -7.686 -2.060 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.516 -7.766 0.358 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.608 -6.270 0.436 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.292 -6.713 -0.429 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.720 -5.957 -1.175 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.863 -7.267 -2.021 1.00 0.27 H new ATOM 664 N THR A 49 7.641 -4.883 0.728 1.00 0.24 N ATOM 665 CA THR A 49 7.405 -3.938 1.802 1.00 0.26 C ATOM 666 C THR A 49 7.876 -2.537 1.423 1.00 0.28 C ATOM 667 O THR A 49 7.188 -1.553 1.691 1.00 0.39 O ATOM 668 CB THR A 49 8.120 -4.392 3.081 1.00 0.29 C ATOM 669 OG1 THR A 49 7.866 -5.785 3.300 1.00 0.71 O ATOM 670 CG2 THR A 49 7.658 -3.589 4.286 1.00 0.64 C ATOM 0 H THR A 49 8.204 -5.689 0.999 1.00 0.24 H new ATOM 0 HA THR A 49 6.330 -3.904 1.980 1.00 0.26 H new ATOM 0 HB THR A 49 9.190 -4.225 2.955 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.324 -6.077 4.116 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.183 -3.935 5.177 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.874 -2.533 4.124 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.585 -3.723 4.423 1.00 0.64 H new ATOM 678 N TYR A 50 9.022 -2.452 0.749 1.00 0.23 N ATOM 679 CA TYR A 50 9.586 -1.158 0.385 1.00 0.23 C ATOM 680 C TYR A 50 8.669 -0.452 -0.592 1.00 0.26 C ATOM 681 O TYR A 50 8.492 0.764 -0.547 1.00 0.42 O ATOM 682 CB TYR A 50 10.970 -1.302 -0.246 1.00 0.21 C ATOM 683 CG TYR A 50 11.975 -2.010 0.629 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.920 -1.914 2.014 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.988 -2.770 0.065 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.843 -2.559 2.808 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.916 -3.417 0.853 1.00 0.31 C ATOM 688 CZ TYR A 50 13.839 -3.309 2.227 1.00 0.34 C ATOM 689 OH TYR A 50 14.754 -3.964 3.020 1.00 0.44 O ATOM 0 H TYR A 50 9.572 -3.257 0.447 1.00 0.23 H new ATOM 0 HA TYR A 50 9.684 -0.574 1.300 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.874 -1.847 -1.185 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.351 -0.310 -0.490 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.142 -1.325 2.475 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.051 -2.857 -1.010 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.785 -2.476 3.883 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.699 -4.005 0.398 1.00 0.31 H new ATOM 0 HH TYR A 50 15.390 -4.449 2.454 1.00 0.44 H new ATOM 699 N ILE A 51 8.072 -1.243 -1.462 1.00 0.18 N ATOM 700 CA ILE A 51 7.211 -0.731 -2.500 1.00 0.19 C ATOM 701 C ILE A 51 5.863 -0.300 -1.923 1.00 0.19 C ATOM 702 O ILE A 51 5.321 0.738 -2.294 1.00 0.22 O ATOM 703 CB ILE A 51 6.992 -1.793 -3.590 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.337 -2.258 -4.159 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.096 -1.250 -4.693 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.228 -3.477 -5.045 1.00 0.33 C ATOM 0 H ILE A 51 8.173 -2.258 -1.466 1.00 0.18 H new ATOM 0 HA ILE A 51 7.698 0.138 -2.942 1.00 0.19 H new ATOM 0 HB ILE A 51 6.494 -2.653 -3.142 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.782 -1.443 -4.729 1.00 0.25 H new ATOM 0 HG13 ILE A 51 9.015 -2.478 -3.334 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.953 -2.016 -5.455 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.130 -0.971 -4.273 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.563 -0.374 -5.143 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.217 -3.750 -5.412 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.812 -4.306 -4.473 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.576 -3.256 -5.890 1.00 0.33 H new ATOM 718 N THR A 52 5.328 -1.101 -1.008 1.00 0.20 N ATOM 719 CA THR A 52 4.074 -0.764 -0.349 1.00 0.24 C ATOM 720 C THR A 52 4.247 0.480 0.513 1.00 0.24 C ATOM 721 O THR A 52 3.307 1.250 0.712 1.00 0.27 O ATOM 722 CB THR A 52 3.552 -1.928 0.517 1.00 0.27 C ATOM 723 OG1 THR A 52 4.494 -2.252 1.551 1.00 0.28 O ATOM 724 CG2 THR A 52 3.297 -3.156 -0.329 1.00 0.26 C ATOM 0 H THR A 52 5.742 -1.984 -0.708 1.00 0.20 H new ATOM 0 HA THR A 52 3.339 -0.568 -1.129 1.00 0.24 H new ATOM 0 HB THR A 52 2.615 -1.608 0.972 1.00 0.27 H new ATOM 0 HG1 THR A 52 5.365 -1.858 1.335 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.929 -3.964 0.304 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.553 -2.925 -1.091 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.225 -3.465 -0.810 1.00 0.26 H new ATOM 732 N ASN A 53 5.463 0.669 1.016 1.00 0.25 N ATOM 733 CA ASN A 53 5.804 1.866 1.766 1.00 0.27 C ATOM 734 C ASN A 53 5.819 3.069 0.834 1.00 0.24 C ATOM 735 O ASN A 53 5.319 4.138 1.180 1.00 0.27 O ATOM 736 CB ASN A 53 7.163 1.704 2.454 1.00 0.34 C ATOM 737 CG ASN A 53 7.081 0.948 3.773 1.00 0.81 C ATOM 738 OD1 ASN A 53 7.914 1.134 4.658 1.00 1.59 O ATOM 739 ND2 ASN A 53 6.077 0.098 3.919 1.00 1.42 N ATOM 0 H ASN A 53 6.229 0.004 0.915 1.00 0.25 H new ATOM 0 HA ASN A 53 5.051 2.024 2.538 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.842 1.178 1.783 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.592 2.690 2.634 1.00 0.34 H new ATOM 0 HD21 ASN A 53 5.976 -0.428 4.787 1.00 1.42 H new ATOM 0 HD22 ASN A 53 5.404 -0.031 3.163 1.00 1.42 H new ATOM 746 N GLN A 54 6.382 2.879 -0.360 1.00 0.23 N ATOM 747 CA GLN A 54 6.341 3.902 -1.400 1.00 0.25 C ATOM 748 C GLN A 54 4.911 4.322 -1.669 1.00 0.25 C ATOM 749 O GLN A 54 4.575 5.508 -1.658 1.00 0.28 O ATOM 750 CB GLN A 54 6.938 3.391 -2.709 1.00 0.27 C ATOM 751 CG GLN A 54 8.443 3.274 -2.707 1.00 0.40 C ATOM 752 CD GLN A 54 8.987 2.926 -4.073 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.404 3.271 -5.100 1.00 1.27 O ATOM 754 NE2 GLN A 54 10.114 2.249 -4.098 1.00 1.34 N ATOM 0 H GLN A 54 6.871 2.025 -0.629 1.00 0.23 H new ATOM 0 HA GLN A 54 6.927 4.748 -1.040 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.511 2.413 -2.931 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.639 4.060 -3.516 1.00 0.27 H new ATOM 0 HG2 GLN A 54 8.879 4.215 -2.372 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.746 2.510 -1.991 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.567 1.981 -3.225 1.00 1.34 H new ATOM 0 HE22 GLN A 54 10.535 1.992 -4.991 1.00 1.34 H new ATOM 763 N ALA A 55 4.081 3.327 -1.915 1.00 0.24 N ATOM 764 CA ALA A 55 2.685 3.538 -2.231 1.00 0.25 C ATOM 765 C ALA A 55 1.981 4.328 -1.130 1.00 0.26 C ATOM 766 O ALA A 55 1.127 5.172 -1.405 1.00 0.30 O ATOM 767 CB ALA A 55 2.016 2.193 -2.447 1.00 0.24 C ATOM 0 H ALA A 55 4.359 2.346 -1.901 1.00 0.24 H new ATOM 0 HA ALA A 55 2.613 4.128 -3.145 1.00 0.25 H new ATOM 0 HB1 ALA A 55 0.963 2.344 -2.686 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.504 1.672 -3.271 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.100 1.595 -1.540 1.00 0.24 H new ATOM 773 N ALA A 56 2.359 4.060 0.115 1.00 0.26 N ATOM 774 CA ALA A 56 1.799 4.767 1.258 1.00 0.27 C ATOM 775 C ALA A 56 2.108 6.255 1.192 1.00 0.26 C ATOM 776 O ALA A 56 1.279 7.082 1.569 1.00 0.30 O ATOM 777 CB ALA A 56 2.326 4.192 2.560 1.00 0.29 C ATOM 0 H ALA A 56 3.054 3.354 0.358 1.00 0.26 H new ATOM 0 HA ALA A 56 0.718 4.635 1.224 1.00 0.27 H new ATOM 0 HB1 ALA A 56 1.894 4.736 3.400 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.052 3.139 2.630 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.412 4.287 2.587 1.00 0.29 H new ATOM 783 N VAL A 57 3.297 6.596 0.707 1.00 0.26 N ATOM 784 CA VAL A 57 3.684 7.991 0.601 1.00 0.27 C ATOM 785 C VAL A 57 2.849 8.690 -0.446 1.00 0.26 C ATOM 786 O VAL A 57 2.375 9.786 -0.218 1.00 0.30 O ATOM 787 CB VAL A 57 5.161 8.194 0.239 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.508 9.669 0.320 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.066 7.386 1.139 1.00 0.30 C ATOM 0 H VAL A 57 4.000 5.931 0.385 1.00 0.26 H new ATOM 0 HA VAL A 57 3.518 8.415 1.592 1.00 0.27 H new ATOM 0 HB VAL A 57 5.317 7.843 -0.781 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.558 9.811 0.062 1.00 0.33 H new ATOM 0 HG12 VAL A 57 4.885 10.228 -0.378 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.331 10.029 1.333 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.105 7.553 0.855 1.00 0.30 H new ATOM 0 HG22 VAL A 57 5.919 7.694 2.174 1.00 0.30 H new ATOM 0 HG23 VAL A 57 5.828 6.327 1.038 1.00 0.30 H new ATOM 799 N TYR A 58 2.673 8.051 -1.596 1.00 0.25 N ATOM 800 CA TYR A 58 1.852 8.617 -2.664 1.00 0.27 C ATOM 801 C TYR A 58 0.447 8.896 -2.162 1.00 0.28 C ATOM 802 O TYR A 58 -0.177 9.875 -2.554 1.00 0.29 O ATOM 803 CB TYR A 58 1.796 7.674 -3.854 1.00 0.27 C ATOM 804 CG TYR A 58 3.066 7.640 -4.659 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.327 8.609 -5.614 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.001 6.638 -4.468 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.487 8.583 -6.354 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.164 6.604 -5.201 1.00 0.30 C ATOM 809 CZ TYR A 58 5.406 7.578 -6.145 1.00 0.33 C ATOM 810 OH TYR A 58 6.572 7.553 -6.874 1.00 0.37 O ATOM 0 H TYR A 58 3.085 7.144 -1.814 1.00 0.25 H new ATOM 0 HA TYR A 58 2.308 9.555 -2.981 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.575 6.668 -3.499 1.00 0.27 H new ATOM 0 HB3 TYR A 58 0.973 7.971 -4.503 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.608 9.398 -5.781 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.814 5.870 -3.732 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.676 9.346 -7.094 1.00 0.38 H new ATOM 0 HE2 TYR A 58 5.885 5.817 -5.037 1.00 0.30 H new ATOM 0 HH TYR A 58 6.831 8.469 -7.109 1.00 0.37 H new ATOM 820 N PHE A 59 -0.030 8.033 -1.281 1.00 0.30 N ATOM 821 CA PHE A 59 -1.313 8.228 -0.627 1.00 0.32 C ATOM 822 C PHE A 59 -1.298 9.542 0.159 1.00 0.35 C ATOM 823 O PHE A 59 -2.264 10.306 0.144 1.00 0.42 O ATOM 824 CB PHE A 59 -1.590 7.040 0.291 1.00 0.33 C ATOM 825 CG PHE A 59 -3.005 6.961 0.780 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.388 7.637 1.924 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.950 6.209 0.103 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.685 7.563 2.384 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.250 6.132 0.558 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.629 6.818 1.671 1.00 0.47 C ATOM 0 H PHE A 59 0.458 7.182 -1.000 1.00 0.30 H new ATOM 0 HA PHE A 59 -2.108 8.289 -1.370 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.349 6.120 -0.241 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.922 7.096 1.151 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.663 8.229 2.463 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.666 5.676 -0.792 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.970 8.077 3.290 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.970 5.525 0.029 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.656 6.787 2.002 1.00 0.47 H new ATOM 840 N GLU A 60 -0.173 9.805 0.811 1.00 0.34 N ATOM 841 CA GLU A 60 0.031 11.042 1.560 1.00 0.37 C ATOM 842 C GLU A 60 0.366 12.203 0.614 1.00 0.35 C ATOM 843 O GLU A 60 0.206 13.373 0.961 1.00 0.41 O ATOM 844 CB GLU A 60 1.166 10.851 2.559 1.00 0.39 C ATOM 845 CG GLU A 60 0.944 9.687 3.508 1.00 0.44 C ATOM 846 CD GLU A 60 -0.208 9.908 4.464 1.00 0.91 C ATOM 847 OE1 GLU A 60 0.001 10.537 5.522 1.00 1.42 O ATOM 848 OE2 GLU A 60 -1.325 9.433 4.174 1.00 1.07 O ATOM 0 H GLU A 60 0.624 9.169 0.837 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.890 11.283 2.090 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.097 10.694 2.014 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.287 11.766 3.140 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.757 8.784 2.927 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.855 9.515 4.081 1.00 0.44 H new ATOM 855 N LYS A 61 0.843 11.860 -0.578 1.00 0.32 N ATOM 856 CA LYS A 61 1.256 12.844 -1.575 1.00 0.33 C ATOM 857 C LYS A 61 0.061 13.340 -2.386 1.00 0.35 C ATOM 858 O LYS A 61 0.139 14.367 -3.058 1.00 0.40 O ATOM 859 CB LYS A 61 2.312 12.249 -2.521 1.00 0.33 C ATOM 860 CG LYS A 61 3.631 11.919 -1.838 1.00 0.48 C ATOM 861 CD LYS A 61 4.818 12.027 -2.787 1.00 0.49 C ATOM 862 CE LYS A 61 4.758 11.019 -3.924 1.00 0.36 C ATOM 863 NZ LYS A 61 5.954 11.129 -4.809 1.00 1.10 N ATOM 0 H LYS A 61 0.955 10.892 -0.881 1.00 0.32 H new ATOM 0 HA LYS A 61 1.691 13.690 -1.042 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.911 11.342 -2.974 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.499 12.954 -3.331 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.780 12.594 -0.996 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.584 10.908 -1.432 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.855 13.034 -3.202 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.741 11.880 -2.226 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.696 10.010 -3.516 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.853 11.182 -4.510 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 6.009 10.292 -5.424 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.875 11.985 -5.395 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.813 11.187 -4.226 1.00 1.10 H new ATOM 877 N GLY A 62 -1.040 12.599 -2.326 1.00 0.34 N ATOM 878 CA GLY A 62 -2.215 12.948 -3.104 1.00 0.36 C ATOM 879 C GLY A 62 -2.325 12.109 -4.361 1.00 0.33 C ATOM 880 O GLY A 62 -3.299 12.206 -5.107 1.00 0.35 O ATOM 0 H GLY A 62 -1.140 11.762 -1.752 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.109 12.810 -2.495 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.173 14.003 -3.374 1.00 0.36 H new ATOM 884 N ASP A 63 -1.321 11.273 -4.580 1.00 0.31 N ATOM 885 CA ASP A 63 -1.275 10.390 -5.735 1.00 0.30 C ATOM 886 C ASP A 63 -1.890 9.042 -5.397 1.00 0.27 C ATOM 887 O ASP A 63 -1.180 8.051 -5.201 1.00 0.32 O ATOM 888 CB ASP A 63 0.167 10.191 -6.198 1.00 0.32 C ATOM 889 CG ASP A 63 0.719 11.381 -6.952 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.506 11.461 -8.178 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.355 12.251 -6.320 1.00 1.26 O ATOM 0 H ASP A 63 -0.515 11.188 -3.961 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.847 10.852 -6.539 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.797 9.994 -5.330 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.219 9.309 -6.836 1.00 0.32 H new ATOM 896 N TYR A 64 -3.209 9.004 -5.331 1.00 0.27 N ATOM 897 CA TYR A 64 -3.916 7.789 -4.964 1.00 0.28 C ATOM 898 C TYR A 64 -3.760 6.738 -6.055 1.00 0.29 C ATOM 899 O TYR A 64 -3.642 5.547 -5.771 1.00 0.34 O ATOM 900 CB TYR A 64 -5.396 8.089 -4.699 1.00 0.29 C ATOM 901 CG TYR A 64 -5.595 9.151 -3.640 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.351 8.876 -2.300 1.00 0.33 C ATOM 903 CD2 TYR A 64 -6.005 10.433 -3.984 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.513 9.847 -1.333 1.00 0.36 C ATOM 905 CE2 TYR A 64 -6.168 11.409 -3.021 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.920 11.113 -1.698 1.00 0.38 C ATOM 907 OH TYR A 64 -6.087 12.083 -0.737 1.00 0.43 O ATOM 0 H TYR A 64 -3.813 9.802 -5.527 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.482 7.395 -4.045 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.869 8.413 -5.626 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.898 7.173 -4.388 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -5.029 7.886 -2.011 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.199 10.670 -5.020 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.322 9.617 -0.295 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.489 12.401 -3.304 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.376 12.918 -1.162 1.00 0.43 H new ATOM 917 N ASN A 65 -3.720 7.196 -7.298 1.00 0.31 N ATOM 918 CA ASN A 65 -3.546 6.310 -8.444 1.00 0.37 C ATOM 919 C ASN A 65 -2.228 5.540 -8.344 1.00 0.33 C ATOM 920 O ASN A 65 -2.180 4.337 -8.601 1.00 0.34 O ATOM 921 CB ASN A 65 -3.580 7.113 -9.741 1.00 0.47 C ATOM 922 CG ASN A 65 -3.513 6.238 -10.979 1.00 1.17 C ATOM 923 OD1 ASN A 65 -4.049 5.129 -11.006 1.00 1.66 O ATOM 924 ND2 ASN A 65 -2.845 6.727 -12.011 1.00 2.18 N ATOM 0 H ASN A 65 -3.806 8.183 -7.541 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.366 5.592 -8.445 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -4.494 7.707 -9.771 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -2.744 7.813 -9.751 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -2.760 6.181 -12.868 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -2.415 7.650 -11.949 1.00 2.18 H new ATOM 931 N LYS A 66 -1.162 6.233 -7.951 1.00 0.34 N ATOM 932 CA LYS A 66 0.151 5.605 -7.836 1.00 0.32 C ATOM 933 C LYS A 66 0.212 4.692 -6.618 1.00 0.31 C ATOM 934 O LYS A 66 0.921 3.687 -6.625 1.00 0.32 O ATOM 935 CB LYS A 66 1.255 6.648 -7.733 1.00 0.29 C ATOM 936 CG LYS A 66 2.651 6.055 -7.798 1.00 0.40 C ATOM 937 CD LYS A 66 2.967 5.451 -9.155 1.00 0.63 C ATOM 938 CE LYS A 66 4.414 4.988 -9.211 1.00 0.42 C ATOM 939 NZ LYS A 66 4.759 4.367 -10.517 1.00 0.68 N ATOM 0 H LYS A 66 -1.181 7.224 -7.708 1.00 0.34 H new ATOM 0 HA LYS A 66 0.305 5.014 -8.739 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.138 7.372 -8.540 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.143 7.194 -6.796 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.382 6.831 -7.571 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.752 5.288 -7.031 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.302 4.609 -9.348 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.784 6.187 -9.938 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.072 5.838 -9.031 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.594 4.270 -8.411 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.755 4.068 -10.507 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 4.150 3.540 -10.679 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.613 5.059 -11.280 1.00 0.68 H new ATOM 953 N CYS A 67 -0.514 5.054 -5.567 1.00 0.31 N ATOM 954 CA CYS A 67 -0.598 4.211 -4.383 1.00 0.32 C ATOM 955 C CYS A 67 -1.179 2.857 -4.770 1.00 0.36 C ATOM 956 O CYS A 67 -0.658 1.808 -4.391 1.00 0.39 O ATOM 957 CB CYS A 67 -1.457 4.882 -3.306 1.00 0.33 C ATOM 958 SG CYS A 67 -1.637 3.916 -1.789 1.00 1.29 S ATOM 0 H CYS A 67 -1.050 5.920 -5.511 1.00 0.31 H new ATOM 0 HA CYS A 67 0.401 4.066 -3.971 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -1.018 5.848 -3.058 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.447 5.078 -3.718 1.00 0.33 H new ATOM 0 HG CYS A 67 -0.634 4.159 -0.998 1.00 1.29 H new ATOM 964 N ARG A 68 -2.246 2.898 -5.557 1.00 0.38 N ATOM 965 CA ARG A 68 -2.843 1.698 -6.122 1.00 0.45 C ATOM 966 C ARG A 68 -1.821 0.995 -7.011 1.00 0.42 C ATOM 967 O ARG A 68 -1.603 -0.215 -6.902 1.00 0.48 O ATOM 968 CB ARG A 68 -4.080 2.098 -6.938 1.00 0.60 C ATOM 969 CG ARG A 68 -5.055 0.967 -7.242 1.00 1.00 C ATOM 970 CD ARG A 68 -4.480 -0.072 -8.193 1.00 1.21 C ATOM 971 NE ARG A 68 -4.072 0.515 -9.470 1.00 1.92 N ATOM 972 CZ ARG A 68 -3.358 -0.127 -10.394 1.00 2.48 C ATOM 973 NH1 ARG A 68 -3.063 -1.411 -10.243 1.00 2.64 N ATOM 974 NH2 ARG A 68 -2.974 0.512 -11.491 1.00 3.39 N ATOM 0 H ARG A 68 -2.720 3.762 -5.820 1.00 0.38 H new ATOM 0 HA ARG A 68 -3.143 1.014 -5.328 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.614 2.880 -6.398 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.748 2.532 -7.881 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -5.340 0.480 -6.310 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.964 1.384 -7.675 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -3.621 -0.554 -7.726 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -5.223 -0.849 -8.373 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.352 1.476 -9.665 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -3.383 -1.914 -9.415 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -2.516 -1.896 -10.955 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -3.225 1.491 -11.625 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -2.427 0.024 -12.201 1.00 3.39 H new ATOM 988 N GLU A 69 -1.200 1.787 -7.879 1.00 0.38 N ATOM 989 CA GLU A 69 -0.214 1.310 -8.842 1.00 0.37 C ATOM 990 C GLU A 69 0.866 0.460 -8.170 1.00 0.31 C ATOM 991 O GLU A 69 1.113 -0.683 -8.564 1.00 0.34 O ATOM 992 CB GLU A 69 0.436 2.517 -9.535 1.00 0.38 C ATOM 993 CG GLU A 69 1.334 2.152 -10.703 1.00 0.67 C ATOM 994 CD GLU A 69 0.576 1.501 -11.841 1.00 1.20 C ATOM 995 OE1 GLU A 69 -0.179 2.208 -12.541 1.00 1.19 O ATOM 996 OE2 GLU A 69 0.720 0.275 -12.035 1.00 2.08 O ATOM 0 H GLU A 69 -1.370 2.791 -7.934 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.724 0.682 -9.572 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.349 3.185 -9.889 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.020 3.072 -8.801 1.00 0.38 H new ATOM 0 HG2 GLU A 69 1.830 3.051 -11.069 1.00 0.67 H new ATOM 0 HG3 GLU A 69 2.115 1.475 -10.358 1.00 0.67 H new ATOM 1003 N LEU A 70 1.491 1.016 -7.148 1.00 0.24 N ATOM 1004 CA LEU A 70 2.629 0.374 -6.512 1.00 0.21 C ATOM 1005 C LEU A 70 2.227 -0.789 -5.621 1.00 0.22 C ATOM 1006 O LEU A 70 2.964 -1.762 -5.523 1.00 0.23 O ATOM 1007 CB LEU A 70 3.425 1.386 -5.700 1.00 0.20 C ATOM 1008 CG LEU A 70 4.181 2.427 -6.518 1.00 0.21 C ATOM 1009 CD1 LEU A 70 4.937 3.349 -5.588 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.134 1.756 -7.497 1.00 0.24 C ATOM 0 H LEU A 70 1.229 1.913 -6.739 1.00 0.24 H new ATOM 0 HA LEU A 70 3.247 -0.028 -7.315 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.743 1.903 -5.025 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.140 0.847 -5.078 1.00 0.20 H new ATOM 0 HG LEU A 70 3.465 3.011 -7.096 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.477 4.093 -6.173 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.234 3.851 -4.923 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.645 2.769 -4.997 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.663 2.518 -8.070 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.854 1.151 -6.947 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.568 1.118 -8.176 1.00 0.24 H new ATOM 1022 N CYS A 71 1.074 -0.708 -4.973 1.00 0.24 N ATOM 1023 CA CYS A 71 0.657 -1.776 -4.072 1.00 0.25 C ATOM 1024 C CYS A 71 0.463 -3.086 -4.827 1.00 0.24 C ATOM 1025 O CYS A 71 0.969 -4.117 -4.405 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.607 -1.408 -3.310 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.407 -0.039 -2.148 1.00 1.10 S ATOM 0 H CYS A 71 0.420 0.071 -5.050 1.00 0.24 H new ATOM 0 HA CYS A 71 1.457 -1.913 -3.344 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.386 -1.149 -4.027 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.955 -2.284 -2.763 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.585 1.088 -2.771 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.243 -3.041 -5.952 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.448 -4.237 -6.770 1.00 0.26 C ATOM 1035 C GLU A 72 0.875 -4.733 -7.350 1.00 0.23 C ATOM 1036 O GLU A 72 1.053 -5.928 -7.590 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.436 -3.952 -7.895 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.794 -4.600 -7.695 1.00 0.87 C ATOM 1039 CD GLU A 72 -3.735 -4.329 -8.845 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -4.392 -3.266 -8.842 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -3.833 -5.182 -9.750 1.00 1.68 O ATOM 0 H GLU A 72 -0.681 -2.196 -6.319 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.859 -5.017 -6.129 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.568 -2.874 -7.986 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -1.012 -4.302 -8.836 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.667 -5.676 -7.579 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.238 -4.230 -6.771 1.00 0.87 H new ATOM 1048 N LYS A 73 1.799 -3.809 -7.574 1.00 0.23 N ATOM 1049 CA LYS A 73 3.137 -4.157 -8.033 1.00 0.23 C ATOM 1050 C LYS A 73 3.883 -4.880 -6.924 1.00 0.20 C ATOM 1051 O LYS A 73 4.477 -5.933 -7.142 1.00 0.21 O ATOM 1052 CB LYS A 73 3.916 -2.902 -8.449 1.00 0.27 C ATOM 1053 CG LYS A 73 5.375 -3.169 -8.808 1.00 0.33 C ATOM 1054 CD LYS A 73 5.582 -3.410 -10.301 1.00 0.57 C ATOM 1055 CE LYS A 73 4.728 -4.551 -10.835 1.00 0.60 C ATOM 1056 NZ LYS A 73 4.941 -4.763 -12.289 1.00 1.23 N ATOM 0 H LYS A 73 1.646 -2.809 -7.445 1.00 0.23 H new ATOM 0 HA LYS A 73 3.047 -4.809 -8.902 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.419 -2.445 -9.305 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.879 -2.177 -7.636 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.983 -2.321 -8.494 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.728 -4.037 -8.252 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.346 -2.498 -10.848 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.633 -3.630 -10.487 1.00 0.57 H new ATOM 0 HE2 LYS A 73 4.966 -5.467 -10.295 1.00 0.60 H new ATOM 0 HE3 LYS A 73 3.676 -4.336 -10.649 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 4.343 -5.548 -12.617 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 4.690 -3.897 -12.807 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 5.940 -4.993 -12.464 1.00 1.23 H new ATOM 1070 N ALA A 74 3.830 -4.304 -5.732 1.00 0.19 N ATOM 1071 CA ALA A 74 4.448 -4.893 -4.562 1.00 0.17 C ATOM 1072 C ALA A 74 3.833 -6.242 -4.264 1.00 0.16 C ATOM 1073 O ALA A 74 4.531 -7.175 -3.910 1.00 0.16 O ATOM 1074 CB ALA A 74 4.312 -3.966 -3.369 1.00 0.18 C ATOM 0 H ALA A 74 3.358 -3.418 -5.553 1.00 0.19 H new ATOM 0 HA ALA A 74 5.509 -5.038 -4.764 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.781 -4.423 -2.498 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.801 -3.017 -3.588 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.256 -3.791 -3.162 1.00 0.18 H new ATOM 1080 N ILE A 75 2.523 -6.341 -4.417 1.00 0.16 N ATOM 1081 CA ILE A 75 1.830 -7.598 -4.211 1.00 0.16 C ATOM 1082 C ILE A 75 2.296 -8.634 -5.216 1.00 0.17 C ATOM 1083 O ILE A 75 2.533 -9.786 -4.858 1.00 0.18 O ATOM 1084 CB ILE A 75 0.306 -7.427 -4.305 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.182 -6.563 -3.148 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.395 -8.775 -4.298 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.681 -6.432 -3.080 1.00 0.23 C ATOM 0 H ILE A 75 1.919 -5.564 -4.684 1.00 0.16 H new ATOM 0 HA ILE A 75 2.070 -7.941 -3.205 1.00 0.16 H new ATOM 0 HB ILE A 75 0.066 -6.934 -5.247 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.180 -6.988 -2.211 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.257 -5.569 -3.238 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.473 -8.625 -4.365 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.057 -9.365 -5.150 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.159 -9.303 -3.374 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.953 -5.803 -2.232 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.049 -5.979 -4.001 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.127 -7.419 -2.958 1.00 0.23 H new ATOM 1099 N GLU A 76 2.448 -8.217 -6.465 1.00 0.18 N ATOM 1100 CA GLU A 76 2.953 -9.105 -7.496 1.00 0.21 C ATOM 1101 C GLU A 76 4.351 -9.588 -7.117 1.00 0.20 C ATOM 1102 O GLU A 76 4.641 -10.780 -7.149 1.00 0.24 O ATOM 1103 CB GLU A 76 2.991 -8.384 -8.844 1.00 0.24 C ATOM 1104 CG GLU A 76 3.301 -9.300 -10.016 1.00 0.77 C ATOM 1105 CD GLU A 76 2.245 -10.368 -10.206 1.00 1.47 C ATOM 1106 OE1 GLU A 76 1.273 -10.119 -10.947 1.00 1.62 O ATOM 1107 OE2 GLU A 76 2.376 -11.458 -9.612 1.00 2.35 O ATOM 0 H GLU A 76 2.229 -7.274 -6.785 1.00 0.18 H new ATOM 0 HA GLU A 76 2.289 -9.965 -7.582 1.00 0.21 H new ATOM 0 HB2 GLU A 76 2.029 -7.901 -9.016 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.741 -7.594 -8.803 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.382 -8.706 -10.927 1.00 0.77 H new ATOM 0 HG3 GLU A 76 4.270 -9.774 -9.857 1.00 0.77 H new ATOM 1114 N VAL A 77 5.192 -8.638 -6.731 1.00 0.21 N ATOM 1115 CA VAL A 77 6.557 -8.910 -6.290 1.00 0.22 C ATOM 1116 C VAL A 77 6.582 -9.819 -5.062 1.00 0.21 C ATOM 1117 O VAL A 77 7.339 -10.791 -5.005 1.00 0.24 O ATOM 1118 CB VAL A 77 7.271 -7.581 -5.952 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.571 -7.822 -5.209 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.515 -6.767 -7.215 1.00 0.25 C ATOM 0 H VAL A 77 4.946 -7.648 -6.714 1.00 0.21 H new ATOM 0 HA VAL A 77 7.073 -9.420 -7.104 1.00 0.22 H new ATOM 0 HB VAL A 77 6.616 -7.011 -5.294 1.00 0.22 H new ATOM 0 HG11 VAL A 77 9.046 -6.866 -4.988 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.365 -8.349 -4.278 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.237 -8.424 -5.827 1.00 0.22 H new ATOM 0 HG21 VAL A 77 8.018 -5.836 -6.956 1.00 0.25 H new ATOM 0 HG22 VAL A 77 8.140 -7.339 -7.901 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.562 -6.543 -7.694 1.00 0.25 H new ATOM 1130 N GLY A 78 5.750 -9.491 -4.089 1.00 0.19 N ATOM 1131 CA GLY A 78 5.721 -10.223 -2.845 1.00 0.21 C ATOM 1132 C GLY A 78 5.192 -11.622 -3.020 1.00 0.21 C ATOM 1133 O GLY A 78 5.801 -12.581 -2.567 1.00 0.27 O ATOM 0 H GLY A 78 5.085 -8.719 -4.142 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.727 -10.266 -2.428 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.100 -9.689 -2.126 1.00 0.21 H new ATOM 1137 N ARG A 79 4.070 -11.741 -3.703 1.00 0.21 N ATOM 1138 CA ARG A 79 3.447 -13.034 -3.926 1.00 0.28 C ATOM 1139 C ARG A 79 4.362 -13.903 -4.789 1.00 0.28 C ATOM 1140 O ARG A 79 4.385 -15.130 -4.661 1.00 0.33 O ATOM 1141 CB ARG A 79 2.082 -12.828 -4.578 1.00 0.39 C ATOM 1142 CG ARG A 79 1.042 -13.835 -4.139 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.364 -13.318 -4.396 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.382 -14.213 -3.851 1.00 1.57 N ATOM 1145 CZ ARG A 79 -2.691 -13.961 -3.886 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.146 -12.866 -4.487 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.543 -14.811 -3.325 1.00 2.63 N ATOM 0 H ARG A 79 3.568 -10.955 -4.115 1.00 0.21 H new ATOM 0 HA ARG A 79 3.296 -13.551 -2.978 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.725 -11.825 -4.345 1.00 0.39 H new ATOM 0 HB3 ARG A 79 2.194 -12.883 -5.661 1.00 0.39 H new ATOM 0 HG2 ARG A 79 1.191 -14.773 -4.674 1.00 0.81 H new ATOM 0 HG3 ARG A 79 1.165 -14.050 -3.078 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.474 -12.329 -3.951 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.518 -13.203 -5.469 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.073 -15.083 -3.418 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.493 -12.215 -4.923 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.148 -12.677 -4.512 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.196 -15.654 -2.869 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.545 -14.620 -3.350 1.00 2.63 H new ATOM 1161 N GLU A 80 5.129 -13.238 -5.649 1.00 0.27 N ATOM 1162 CA GLU A 80 6.171 -13.879 -6.442 1.00 0.32 C ATOM 1163 C GLU A 80 7.269 -14.437 -5.541 1.00 0.31 C ATOM 1164 O GLU A 80 7.632 -15.614 -5.622 1.00 0.37 O ATOM 1165 CB GLU A 80 6.771 -12.850 -7.408 1.00 0.36 C ATOM 1166 CG GLU A 80 7.957 -13.361 -8.204 1.00 0.57 C ATOM 1167 CD GLU A 80 8.449 -12.360 -9.226 1.00 1.18 C ATOM 1168 OE1 GLU A 80 7.807 -12.225 -10.288 1.00 1.22 O ATOM 1169 OE2 GLU A 80 9.483 -11.703 -8.975 1.00 1.96 O ATOM 0 H GLU A 80 5.044 -12.235 -5.815 1.00 0.27 H new ATOM 0 HA GLU A 80 5.732 -14.705 -7.001 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.996 -12.524 -8.101 1.00 0.36 H new ATOM 0 HB3 GLU A 80 7.080 -11.972 -6.840 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.770 -13.606 -7.520 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.678 -14.285 -8.711 1.00 0.57 H new ATOM 1176 N ASN A 81 7.774 -13.581 -4.663 1.00 0.29 N ATOM 1177 CA ASN A 81 8.910 -13.912 -3.809 1.00 0.35 C ATOM 1178 C ASN A 81 8.460 -14.610 -2.524 1.00 0.35 C ATOM 1179 O ASN A 81 9.240 -14.781 -1.588 1.00 0.49 O ATOM 1180 CB ASN A 81 9.685 -12.635 -3.490 1.00 0.40 C ATOM 1181 CG ASN A 81 11.013 -12.879 -2.793 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.660 -13.909 -2.994 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.433 -11.925 -1.978 1.00 1.13 N ATOM 0 H ASN A 81 7.410 -12.639 -4.522 1.00 0.29 H new ATOM 0 HA ASN A 81 9.559 -14.608 -4.341 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.867 -12.091 -4.417 1.00 0.40 H new ATOM 0 HB3 ASN A 81 9.067 -11.995 -2.860 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.322 -12.027 -1.489 1.00 1.13 H new ATOM 0 HD22 ASN A 81 10.868 -11.088 -1.839 1.00 1.13 H new ATOM 1190 N ARG A 82 7.189 -15.012 -2.500 1.00 0.32 N ATOM 1191 CA ARG A 82 6.603 -15.722 -1.360 1.00 0.37 C ATOM 1192 C ARG A 82 6.753 -14.896 -0.083 1.00 0.32 C ATOM 1193 O ARG A 82 7.089 -15.412 0.984 1.00 0.38 O ATOM 1194 CB ARG A 82 7.243 -17.104 -1.195 1.00 0.47 C ATOM 1195 CG ARG A 82 7.217 -17.946 -2.462 1.00 1.04 C ATOM 1196 CD ARG A 82 5.825 -18.016 -3.074 1.00 1.99 C ATOM 1197 NE ARG A 82 4.856 -18.656 -2.188 1.00 2.83 N ATOM 1198 CZ ARG A 82 3.551 -18.382 -2.186 1.00 3.77 C ATOM 1199 NH1 ARG A 82 3.057 -17.461 -3.010 1.00 4.01 N ATOM 1200 NH2 ARG A 82 2.740 -19.030 -1.360 1.00 4.67 N ATOM 0 H ARG A 82 6.537 -14.856 -3.268 1.00 0.32 H new ATOM 0 HA ARG A 82 5.540 -15.865 -1.552 1.00 0.37 H new ATOM 0 HB2 ARG A 82 8.277 -16.980 -0.873 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.725 -17.642 -0.401 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.912 -17.527 -3.190 1.00 1.04 H new ATOM 0 HG3 ARG A 82 7.564 -18.954 -2.234 1.00 1.04 H new ATOM 0 HD2 ARG A 82 5.485 -17.008 -3.311 1.00 1.99 H new ATOM 0 HD3 ARG A 82 5.872 -18.566 -4.014 1.00 1.99 H new ATOM 0 HE ARG A 82 5.199 -19.356 -1.530 1.00 2.83 H new ATOM 0 HH11 ARG A 82 3.677 -16.961 -3.647 1.00 4.01 H new ATOM 0 HH12 ARG A 82 2.058 -17.255 -3.005 1.00 4.01 H new ATOM 0 HH21 ARG A 82 3.115 -19.737 -0.727 1.00 4.67 H new ATOM 0 HH22 ARG A 82 1.742 -18.821 -1.357 1.00 4.67 H new ATOM 1214 N GLU A 83 6.494 -13.606 -0.224 1.00 0.27 N ATOM 1215 CA GLU A 83 6.666 -12.636 0.845 1.00 0.27 C ATOM 1216 C GLU A 83 5.442 -12.619 1.761 1.00 0.25 C ATOM 1217 O GLU A 83 4.395 -13.178 1.426 1.00 0.25 O ATOM 1218 CB GLU A 83 6.899 -11.254 0.212 1.00 0.28 C ATOM 1219 CG GLU A 83 7.254 -10.142 1.190 1.00 0.43 C ATOM 1220 CD GLU A 83 8.403 -10.496 2.102 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.569 -10.348 1.689 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.142 -10.917 3.246 1.00 1.60 O ATOM 0 H GLU A 83 6.154 -13.198 -1.095 1.00 0.27 H new ATOM 0 HA GLU A 83 7.525 -12.908 1.458 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.700 -11.339 -0.522 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.999 -10.965 -0.331 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.507 -9.242 0.630 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.378 -9.906 1.795 1.00 0.43 H new ATOM 1229 N ASP A 84 5.605 -11.990 2.920 1.00 0.26 N ATOM 1230 CA ASP A 84 4.550 -11.852 3.921 1.00 0.26 C ATOM 1231 C ASP A 84 3.253 -11.322 3.306 1.00 0.25 C ATOM 1232 O ASP A 84 3.152 -10.143 2.968 1.00 0.26 O ATOM 1233 CB ASP A 84 5.036 -10.910 5.028 1.00 0.29 C ATOM 1234 CG ASP A 84 4.019 -10.685 6.128 1.00 0.44 C ATOM 1235 OD1 ASP A 84 3.715 -11.639 6.874 1.00 0.82 O ATOM 1236 OD2 ASP A 84 3.533 -9.543 6.264 1.00 0.68 O ATOM 0 H ASP A 84 6.486 -11.555 3.196 1.00 0.26 H new ATOM 0 HA ASP A 84 4.332 -12.836 4.335 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.947 -11.318 5.466 1.00 0.29 H new ATOM 0 HB3 ASP A 84 5.298 -9.949 4.586 1.00 0.29 H new ATOM 1241 N TYR A 85 2.260 -12.204 3.170 1.00 0.26 N ATOM 1242 CA TYR A 85 0.968 -11.836 2.588 1.00 0.26 C ATOM 1243 C TYR A 85 0.241 -10.834 3.476 1.00 0.27 C ATOM 1244 O TYR A 85 -0.688 -10.157 3.040 1.00 0.26 O ATOM 1245 CB TYR A 85 0.089 -13.075 2.365 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.172 -13.874 3.622 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.000 -13.385 4.623 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.419 -15.112 3.808 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.228 -14.103 5.775 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.193 -15.843 4.956 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.631 -15.334 5.938 1.00 0.38 C ATOM 1252 OH TYR A 85 -0.852 -16.057 7.089 1.00 0.44 O ATOM 0 H TYR A 85 2.327 -13.181 3.456 1.00 0.26 H new ATOM 0 HA TYR A 85 1.162 -11.372 1.621 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.865 -12.760 1.941 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.568 -13.720 1.629 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.474 -12.423 4.496 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.067 -15.512 3.042 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -1.871 -13.704 6.546 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.659 -16.809 5.085 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.358 -16.902 7.044 1.00 0.44 H new ATOM 1262 N ARG A 86 0.660 -10.755 4.731 1.00 0.30 N ATOM 1263 CA ARG A 86 0.091 -9.795 5.656 1.00 0.33 C ATOM 1264 C ARG A 86 0.380 -8.381 5.169 1.00 0.32 C ATOM 1265 O ARG A 86 -0.468 -7.497 5.286 1.00 0.32 O ATOM 1266 CB ARG A 86 0.631 -10.013 7.057 1.00 0.40 C ATOM 1267 CG ARG A 86 0.295 -11.378 7.614 1.00 0.44 C ATOM 1268 CD ARG A 86 0.749 -11.500 9.047 1.00 0.55 C ATOM 1269 NE ARG A 86 2.203 -11.386 9.167 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.843 -11.163 10.312 1.00 1.98 C ATOM 1271 NH1 ARG A 86 2.163 -11.012 11.445 1.00 1.57 N ATOM 1272 NH2 ARG A 86 4.169 -11.088 10.325 1.00 3.04 N ATOM 0 H ARG A 86 1.391 -11.345 5.128 1.00 0.30 H new ATOM 0 HA ARG A 86 -0.989 -9.936 5.696 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.714 -9.887 7.047 1.00 0.40 H new ATOM 0 HB3 ARG A 86 0.227 -9.247 7.719 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -0.780 -11.546 7.553 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.772 -12.150 7.010 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.273 -10.724 9.647 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.425 -12.459 9.451 1.00 0.55 H new ATOM 0 HE ARG A 86 2.761 -11.484 8.319 1.00 1.57 H new ATOM 0 HH11 ARG A 86 1.144 -11.067 11.440 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.660 -10.841 12.319 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.695 -11.201 9.458 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.662 -10.917 11.202 1.00 3.04 H new ATOM 1286 N GLN A 87 1.575 -8.187 4.607 1.00 0.33 N ATOM 1287 CA GLN A 87 1.919 -6.939 3.931 1.00 0.33 C ATOM 1288 C GLN A 87 1.067 -6.760 2.683 1.00 0.28 C ATOM 1289 O GLN A 87 0.582 -5.667 2.403 1.00 0.28 O ATOM 1290 CB GLN A 87 3.399 -6.915 3.535 1.00 0.39 C ATOM 1291 CG GLN A 87 4.342 -6.571 4.673 1.00 0.49 C ATOM 1292 CD GLN A 87 3.962 -5.277 5.360 1.00 0.57 C ATOM 1293 OE1 GLN A 87 3.230 -5.278 6.348 1.00 1.14 O ATOM 1294 NE2 GLN A 87 4.429 -4.163 4.824 1.00 1.46 N ATOM 0 H GLN A 87 2.321 -8.882 4.608 1.00 0.33 H new ATOM 0 HA GLN A 87 1.726 -6.123 4.628 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.672 -7.891 3.134 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.537 -6.191 2.732 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.340 -7.381 5.402 1.00 0.49 H new ATOM 0 HG3 GLN A 87 5.359 -6.491 4.288 1.00 0.49 H new ATOM 0 HE21 GLN A 87 5.034 -4.206 4.004 1.00 1.46 H new ATOM 0 HE22 GLN A 87 4.185 -3.260 5.230 1.00 1.46 H new ATOM 1303 N ILE A 88 0.896 -7.848 1.942 1.00 0.25 N ATOM 1304 CA ILE A 88 0.063 -7.858 0.744 1.00 0.22 C ATOM 1305 C ILE A 88 -1.344 -7.367 1.043 1.00 0.20 C ATOM 1306 O ILE A 88 -1.916 -6.593 0.280 1.00 0.20 O ATOM 1307 CB ILE A 88 0.018 -9.271 0.123 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.262 -9.474 -0.715 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.231 -9.483 -0.714 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.492 -10.878 -1.181 1.00 0.23 C ATOM 0 H ILE A 88 1.329 -8.747 2.153 1.00 0.25 H new ATOM 0 HA ILE A 88 0.512 -7.174 0.024 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.015 -10.005 0.928 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.204 -8.823 -1.587 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.128 -9.154 -0.136 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.222 -10.490 -1.132 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.114 -9.358 -0.088 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.254 -8.754 -1.524 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.407 -10.920 -1.773 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.588 -11.537 -0.318 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.649 -11.201 -1.792 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.888 -7.807 2.157 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.202 -7.365 2.576 1.00 0.21 C ATOM 1324 C ALA A 89 -3.204 -5.867 2.857 1.00 0.22 C ATOM 1325 O ALA A 89 -4.141 -5.161 2.496 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.643 -8.137 3.795 1.00 0.24 C ATOM 0 H ALA A 89 -1.441 -8.471 2.790 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.908 -7.556 1.768 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.632 -7.798 4.103 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.682 -9.200 3.558 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -2.934 -7.972 4.606 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.146 -5.372 3.484 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.055 -3.947 3.769 1.00 0.27 C ATOM 1334 C LYS A 90 -1.880 -3.181 2.464 1.00 0.24 C ATOM 1335 O LYS A 90 -2.317 -2.038 2.334 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.903 -3.637 4.733 1.00 0.33 C ATOM 1337 CG LYS A 90 -0.871 -4.519 5.977 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.248 -4.703 6.609 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.865 -3.386 7.051 1.00 0.67 C ATOM 1340 NZ LYS A 90 -4.161 -3.600 7.743 1.00 1.26 N ATOM 0 H LYS A 90 -1.350 -5.926 3.801 1.00 0.24 H new ATOM 0 HA LYS A 90 -2.978 -3.633 4.256 1.00 0.27 H new ATOM 0 HB2 LYS A 90 0.041 -3.747 4.200 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.975 -2.594 5.043 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.464 -5.495 5.714 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.196 -4.079 6.711 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -2.911 -5.189 5.893 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.164 -5.368 7.469 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -2.177 -2.865 7.717 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.016 -2.744 6.183 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -4.866 -2.929 7.376 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -4.488 -4.573 7.574 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -4.038 -3.449 8.765 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.240 -3.832 1.500 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.142 -3.306 0.150 1.00 0.22 C ATOM 1356 C ALA A 91 -2.529 -3.225 -0.473 1.00 0.19 C ATOM 1357 O ALA A 91 -2.916 -2.187 -1.002 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.214 -4.172 -0.695 1.00 0.22 C ATOM 0 H ALA A 91 -0.779 -4.732 1.633 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.719 -2.302 0.189 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.153 -3.763 -1.703 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.780 -4.185 -0.247 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.605 -5.189 -0.739 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.281 -4.320 -0.371 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.658 -4.367 -0.853 1.00 0.16 C ATOM 1366 C TYR A 92 -5.494 -3.276 -0.225 1.00 0.16 C ATOM 1367 O TYR A 92 -6.325 -2.660 -0.887 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.307 -5.712 -0.537 1.00 0.15 C ATOM 1369 CG TYR A 92 -5.017 -6.802 -1.533 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.403 -6.671 -2.852 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.336 -7.950 -1.157 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -5.128 -7.654 -3.775 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -4.048 -8.942 -2.076 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.519 -8.836 -3.355 1.00 0.21 C ATOM 1375 OH TYR A 92 -4.161 -9.769 -4.310 1.00 0.24 O ATOM 0 H TYR A 92 -2.955 -5.192 0.045 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.618 -4.223 -1.933 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.971 -6.039 0.447 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.386 -5.573 -0.475 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.930 -5.782 -3.165 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.026 -8.071 -0.130 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.382 -7.511 -4.815 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.454 -9.796 -1.785 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.395 -10.288 -3.989 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.280 -3.044 1.055 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.053 -2.056 1.768 1.00 0.21 C ATOM 1387 C ALA A 93 -5.716 -0.653 1.301 1.00 0.23 C ATOM 1388 O ALA A 93 -6.595 0.191 1.218 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.860 -2.183 3.262 1.00 0.25 C ATOM 0 H ALA A 93 -4.579 -3.526 1.618 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.104 -2.242 1.547 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.455 -1.425 3.771 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.178 -3.173 3.587 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.807 -2.042 3.506 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.450 -0.402 0.993 1.00 0.24 N ATOM 1396 CA ARG A 94 -4.056 0.890 0.449 1.00 0.27 C ATOM 1397 C ARG A 94 -4.570 1.036 -0.975 1.00 0.24 C ATOM 1398 O ARG A 94 -4.945 2.127 -1.398 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.541 1.080 0.494 1.00 0.34 C ATOM 1400 CG ARG A 94 -2.001 1.279 1.899 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.530 1.652 1.882 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.010 1.864 3.235 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.670 0.953 3.934 1.00 0.69 C ATOM 1404 NH1 ARG A 94 0.906 -0.253 3.425 1.00 1.50 N ATOM 1405 NH2 ARG A 94 1.112 1.249 5.151 1.00 0.88 N ATOM 0 H ARG A 94 -3.686 -1.068 1.109 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.502 1.667 1.070 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.060 0.210 0.047 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.272 1.942 -0.116 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -2.570 2.061 2.401 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.139 0.364 2.476 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.040 0.862 1.392 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.391 2.558 1.292 1.00 0.53 H new ATOM 0 HE ARG A 94 -0.179 2.770 3.673 1.00 0.72 H new ATOM 0 HH11 ARG A 94 0.566 -0.488 2.492 1.00 1.50 H new ATOM 0 HH12 ARG A 94 1.427 -0.942 3.967 1.00 1.50 H new ATOM 0 HH21 ARG A 94 0.931 2.171 5.549 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.632 0.555 5.688 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.596 -0.072 -1.703 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.235 -0.110 -3.010 1.00 0.21 C ATOM 1421 C ILE A 95 -6.696 0.291 -2.866 1.00 0.20 C ATOM 1422 O ILE A 95 -7.169 1.211 -3.529 1.00 0.24 O ATOM 1423 CB ILE A 95 -5.144 -1.516 -3.641 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.690 -1.874 -3.898 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.928 -1.589 -4.937 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.493 -3.248 -4.490 1.00 0.22 C ATOM 0 H ILE A 95 -4.182 -0.957 -1.410 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.716 0.588 -3.666 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.578 -2.230 -2.941 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.258 -1.134 -4.571 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.139 -1.811 -2.959 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.844 -2.591 -5.357 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.976 -1.364 -4.741 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.528 -0.864 -5.646 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.429 -3.429 -4.644 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.894 -3.999 -3.809 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -4.014 -3.311 -5.446 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.392 -0.382 -1.965 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.773 -0.057 -1.704 1.00 0.18 C ATOM 1440 C GLY A 96 -8.941 1.348 -1.163 1.00 0.20 C ATOM 1441 O GLY A 96 -9.898 2.034 -1.498 1.00 0.23 O ATOM 0 H GLY A 96 -7.021 -1.152 -1.408 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.348 -0.161 -2.624 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.183 -0.771 -0.989 1.00 0.18 H new ATOM 1445 N ASN A 97 -8.004 1.780 -0.330 1.00 0.20 N ATOM 1446 CA ASN A 97 -8.066 3.107 0.270 1.00 0.25 C ATOM 1447 C ASN A 97 -7.836 4.196 -0.766 1.00 0.25 C ATOM 1448 O ASN A 97 -8.465 5.247 -0.704 1.00 0.27 O ATOM 1449 CB ASN A 97 -7.063 3.251 1.417 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.678 2.959 2.774 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.189 3.858 3.441 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -7.637 1.705 3.190 1.00 1.64 N ATOM 0 H ASN A 97 -7.190 1.230 -0.054 1.00 0.20 H new ATOM 0 HA ASN A 97 -9.070 3.225 0.676 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.226 2.574 1.249 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.659 4.263 1.416 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -8.038 1.454 4.094 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -7.204 0.988 2.607 1.00 1.64 H new ATOM 1459 N SER A 98 -6.941 3.948 -1.715 1.00 0.26 N ATOM 1460 CA SER A 98 -6.701 4.906 -2.783 1.00 0.29 C ATOM 1461 C SER A 98 -7.981 5.101 -3.589 1.00 0.29 C ATOM 1462 O SER A 98 -8.367 6.228 -3.902 1.00 0.32 O ATOM 1463 CB SER A 98 -5.549 4.442 -3.684 1.00 0.32 C ATOM 1464 OG SER A 98 -5.891 3.284 -4.426 1.00 0.94 O ATOM 0 H SER A 98 -6.376 3.100 -1.766 1.00 0.26 H new ATOM 0 HA SER A 98 -6.410 5.861 -2.346 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.278 5.245 -4.369 1.00 0.32 H new ATOM 0 HB3 SER A 98 -4.671 4.235 -3.072 1.00 0.32 H new ATOM 0 HG SER A 98 -6.179 2.576 -3.813 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.653 3.990 -3.882 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.944 4.025 -4.550 1.00 0.29 C ATOM 1472 C TYR A 99 -10.979 4.715 -3.666 1.00 0.28 C ATOM 1473 O TYR A 99 -11.776 5.523 -4.133 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.418 2.606 -4.872 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.692 1.939 -6.016 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.700 2.489 -7.291 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.982 0.770 -5.815 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -9.017 1.888 -8.329 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.299 0.160 -6.843 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.400 0.701 -8.142 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.630 0.120 -9.132 1.00 0.43 O ATOM 0 H TYR A 99 -8.319 3.051 -3.664 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.832 4.585 -5.479 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.305 1.989 -3.980 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.482 2.638 -5.105 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.249 3.401 -7.473 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.963 0.326 -4.831 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.976 2.369 -9.295 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.697 -0.717 -6.658 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.230 0.820 -9.689 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.945 4.380 -2.386 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.844 4.948 -1.385 1.00 0.27 C ATOM 1493 C PHE A 100 -11.757 6.475 -1.371 1.00 0.32 C ATOM 1494 O PHE A 100 -12.777 7.165 -1.332 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.471 4.364 -0.020 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.301 4.827 1.144 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.570 4.314 1.361 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.825 5.802 1.999 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.343 4.762 2.415 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.592 6.258 3.050 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.818 5.625 3.329 1.00 0.37 C ATOM 0 H PHE A 100 -10.287 3.700 -2.006 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.875 4.691 -1.627 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.540 3.278 -0.081 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.428 4.606 0.184 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.959 3.555 0.698 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.839 6.213 1.842 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.365 4.427 2.514 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.257 7.090 3.651 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.336 5.821 4.256 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.537 6.992 -1.426 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.316 8.433 -1.431 1.00 0.38 C ATOM 1513 C LYS A 101 -10.722 9.039 -2.767 1.00 0.41 C ATOM 1514 O LYS A 101 -11.151 10.190 -2.834 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.844 8.763 -1.167 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.286 8.182 0.123 1.00 0.57 C ATOM 1517 CD LYS A 101 -9.029 8.686 1.352 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.767 10.165 1.594 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.534 10.685 2.756 1.00 0.74 N ATOM 0 H LYS A 101 -9.684 6.435 -1.468 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.930 8.857 -0.637 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.248 8.397 -2.003 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.727 9.846 -1.143 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.347 7.094 0.085 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.230 8.440 0.208 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -10.099 8.521 1.225 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.720 8.113 2.226 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.702 10.321 1.764 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.034 10.731 0.701 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.326 11.696 2.885 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.552 10.560 2.584 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.261 10.163 3.613 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.587 8.262 -3.832 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.805 8.781 -5.173 1.00 0.40 C ATOM 1535 C GLU A 102 -12.255 8.583 -5.625 1.00 0.39 C ATOM 1536 O GLU A 102 -12.623 8.983 -6.732 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.835 8.125 -6.145 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.405 6.940 -6.899 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.487 6.490 -8.012 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.466 7.160 -9.068 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.784 5.478 -7.840 1.00 0.45 O ATOM 0 H GLU A 102 -10.329 7.276 -3.794 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.618 9.855 -5.159 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.502 8.872 -6.866 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.953 7.799 -5.594 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.570 6.114 -6.207 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.377 7.207 -7.314 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.053 7.962 -4.753 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.487 7.734 -4.980 1.00 0.35 C ATOM 1550 C GLU A 103 -14.727 6.533 -5.910 1.00 0.35 C ATOM 1551 O GLU A 103 -15.772 6.421 -6.550 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.167 8.996 -5.530 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.683 8.974 -5.435 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.321 10.091 -6.225 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.588 9.903 -7.428 1.00 1.47 O ATOM 1556 OE2 GLU A 103 -17.563 11.169 -5.642 1.00 1.31 O ATOM 0 H GLU A 103 -12.721 7.599 -3.860 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.937 7.500 -4.015 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.792 9.864 -4.987 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.881 9.125 -6.574 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -17.054 8.016 -5.799 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.981 9.055 -4.390 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.756 5.633 -5.974 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.914 4.374 -6.696 1.00 0.31 C ATOM 1565 C LYS A 104 -14.198 3.242 -5.718 1.00 0.28 C ATOM 1566 O LYS A 104 -13.443 2.276 -5.627 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.658 4.051 -7.498 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.554 4.799 -8.814 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.393 4.286 -9.649 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.306 4.992 -10.988 1.00 1.11 C ATOM 1571 NZ LYS A 104 -10.103 4.573 -11.751 1.00 1.89 N ATOM 0 H LYS A 104 -12.844 5.751 -5.532 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.753 4.479 -7.384 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.783 4.282 -6.891 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.633 2.980 -7.698 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.484 4.688 -9.372 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.423 5.864 -8.621 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.461 4.429 -9.102 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.507 3.214 -9.810 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -12.201 4.777 -11.572 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -11.280 6.070 -10.830 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -10.076 5.076 -12.661 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -9.248 4.801 -11.204 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -10.141 3.548 -11.923 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.296 3.365 -4.988 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.631 2.401 -3.938 1.00 0.25 C ATOM 1587 C TYR A 105 -15.894 1.013 -4.503 1.00 0.26 C ATOM 1588 O TYR A 105 -15.706 0.018 -3.805 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.832 2.870 -3.116 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.633 4.239 -2.529 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.788 4.424 -1.448 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.258 5.348 -3.078 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.571 5.679 -0.922 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -17.039 6.614 -2.563 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.192 6.772 -1.483 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.963 8.028 -0.964 1.00 0.46 O ATOM 0 H TYR A 105 -15.973 4.120 -5.099 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.763 2.338 -3.282 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.720 2.876 -3.748 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -17.017 2.158 -2.312 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.291 3.571 -1.010 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.924 5.223 -3.919 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.916 5.805 -0.073 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.527 7.472 -3.002 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.475 8.691 -1.473 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.315 0.941 -5.761 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.528 -0.346 -6.412 1.00 0.35 C ATOM 1608 C LYS A 106 -15.228 -1.142 -6.415 1.00 0.31 C ATOM 1609 O LYS A 106 -15.196 -2.314 -6.040 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.020 -0.157 -7.849 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.271 0.697 -7.961 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.620 0.977 -9.413 1.00 0.78 C ATOM 1613 CE LYS A 106 -19.714 2.025 -9.532 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.015 1.554 -8.988 1.00 1.57 N ATOM 0 H LYS A 106 -16.514 1.752 -6.346 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.291 -0.891 -5.856 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.225 0.300 -8.438 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.219 -1.135 -8.287 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.105 0.190 -7.476 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.120 1.639 -7.433 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -17.730 1.317 -9.943 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.945 0.055 -9.894 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -19.408 2.927 -9.002 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -19.839 2.297 -10.580 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -21.727 2.305 -9.093 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -21.324 0.709 -9.509 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -20.905 1.319 -7.981 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.148 -0.481 -6.809 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.838 -1.112 -6.834 1.00 0.29 C ATOM 1630 C ASP A 107 -12.236 -1.158 -5.434 1.00 0.23 C ATOM 1631 O ASP A 107 -11.452 -2.054 -5.117 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.895 -0.375 -7.787 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.254 -0.581 -9.244 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.291 -1.746 -9.693 1.00 0.67 O ATOM 1635 OD2 ASP A 107 -12.516 0.419 -9.944 1.00 0.64 O ATOM 0 H ASP A 107 -14.154 0.492 -7.115 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.965 -2.133 -7.194 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.916 0.691 -7.560 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.874 -0.717 -7.617 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.618 -0.198 -4.598 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.146 -0.148 -3.218 1.00 0.18 C ATOM 1642 C ALA A 108 -12.523 -1.427 -2.493 1.00 0.16 C ATOM 1643 O ALA A 108 -11.665 -2.145 -1.987 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.720 1.062 -2.481 1.00 0.18 C ATOM 0 H ALA A 108 -13.254 0.557 -4.852 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.061 -0.050 -3.234 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.351 1.072 -1.456 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.411 1.977 -2.987 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.808 1.001 -2.474 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.817 -1.712 -2.490 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.368 -2.888 -1.831 1.00 0.18 C ATOM 1652 C ILE A 109 -13.800 -4.170 -2.428 1.00 0.19 C ATOM 1653 O ILE A 109 -13.576 -5.154 -1.717 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.901 -2.889 -1.961 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.476 -1.614 -1.339 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.496 -4.127 -1.318 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -16.632 -1.650 0.154 1.00 0.51 C ATOM 0 H ILE A 109 -14.519 -1.130 -2.948 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.090 -2.849 -0.778 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.165 -2.909 -3.018 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -15.830 -0.776 -1.601 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -17.450 -1.417 -1.786 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.581 -4.106 -1.422 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.102 -5.017 -1.809 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.234 -4.149 -0.260 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.046 -0.703 0.500 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.305 -2.462 0.430 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -15.659 -1.811 0.618 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.555 -4.144 -3.732 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.963 -5.280 -4.421 1.00 0.23 C ATOM 1671 C HIS A 110 -11.663 -5.686 -3.743 1.00 0.20 C ATOM 1672 O HIS A 110 -11.502 -6.824 -3.308 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.689 -4.931 -5.892 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.055 -6.047 -6.678 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.774 -6.970 -7.402 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.752 -6.377 -6.851 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -11.944 -7.817 -7.978 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.710 -7.478 -7.666 1.00 0.40 N ATOM 0 H HIS A 110 -13.758 -3.346 -4.334 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.666 -6.112 -4.378 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.628 -4.652 -6.370 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -12.039 -4.057 -5.932 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.791 -6.995 -7.481 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.902 -5.866 -6.424 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.229 -8.651 -8.602 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.745 -4.738 -3.642 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.429 -5.003 -3.084 1.00 0.17 C ATOM 1689 C PHE A 111 -9.471 -5.039 -1.560 1.00 0.16 C ATOM 1690 O PHE A 111 -8.582 -5.606 -0.927 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.427 -3.970 -3.584 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.159 -4.086 -5.060 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.288 -5.048 -5.545 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.777 -3.235 -5.961 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -7.038 -5.158 -6.897 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.529 -3.340 -7.316 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.658 -4.302 -7.784 1.00 0.32 C ATOM 0 H PHE A 111 -10.889 -3.773 -3.941 1.00 0.18 H new ATOM 0 HA PHE A 111 -9.105 -5.987 -3.422 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.802 -2.970 -3.365 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.490 -4.085 -3.039 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.799 -5.720 -4.856 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.461 -2.481 -5.600 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.358 -5.914 -7.261 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -9.017 -2.670 -8.008 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.462 -4.385 -8.843 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.501 -4.439 -0.969 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.710 -4.552 0.469 1.00 0.17 C ATOM 1709 C TYR A 112 -10.877 -6.011 0.860 1.00 0.20 C ATOM 1710 O TYR A 112 -10.112 -6.531 1.665 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.933 -3.754 0.937 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.710 -2.267 1.071 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.450 -1.763 1.382 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.746 -1.363 0.858 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.239 -0.408 1.482 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.535 -0.010 0.952 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.320 0.460 1.370 1.00 0.25 C ATOM 1718 OH TYR A 112 -11.071 1.813 1.356 1.00 0.32 O ATOM 0 H TYR A 112 -11.196 -3.876 -1.458 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.830 -4.135 0.958 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.749 -3.922 0.234 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.257 -4.146 1.901 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.629 -2.444 1.547 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.732 -1.732 0.615 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.244 -0.022 1.646 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.325 0.681 0.697 1.00 0.23 H new ATOM 0 HH TYR A 112 -11.885 2.298 1.607 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.861 -6.679 0.265 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.117 -8.088 0.546 1.00 0.28 C ATOM 1730 C ASN A 113 -10.914 -8.942 0.172 1.00 0.27 C ATOM 1731 O ASN A 113 -10.716 -10.021 0.718 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.345 -8.565 -0.223 1.00 0.34 C ATOM 1733 CG ASN A 113 -14.647 -7.989 0.304 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -15.567 -7.709 -0.465 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.749 -7.841 1.616 1.00 1.23 N ATOM 0 H ASN A 113 -12.496 -6.265 -0.417 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.300 -8.192 1.616 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -13.235 -8.294 -1.273 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.393 -9.653 -0.178 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.613 -7.483 2.023 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -13.963 -8.085 2.219 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.120 -8.448 -0.765 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.875 -9.099 -1.151 1.00 0.24 C ATOM 1744 C LYS A 114 -7.845 -8.995 -0.030 1.00 0.21 C ATOM 1745 O LYS A 114 -7.011 -9.879 0.145 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.340 -8.458 -2.409 1.00 0.26 C ATOM 1747 CG LYS A 114 -9.169 -8.749 -3.636 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.384 -9.627 -4.571 1.00 0.37 C ATOM 1749 CE LYS A 114 -9.047 -9.755 -5.919 1.00 0.48 C ATOM 1750 NZ LYS A 114 -10.279 -10.585 -5.873 1.00 1.25 N ATOM 0 H LYS A 114 -10.318 -7.589 -1.278 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.071 -10.155 -1.338 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.289 -7.379 -2.263 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.321 -8.806 -2.579 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -10.099 -9.241 -3.352 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.440 -7.818 -4.135 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.382 -9.217 -4.698 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.270 -10.616 -4.128 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.296 -8.762 -6.293 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.343 -10.195 -6.626 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -10.695 -10.641 -6.824 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -10.041 -11.542 -5.542 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -10.964 -10.154 -5.220 1.00 1.25 H new ATOM 1764 N SER A 115 -7.902 -7.906 0.723 1.00 0.20 N ATOM 1765 CA SER A 115 -7.068 -7.758 1.902 1.00 0.21 C ATOM 1766 C SER A 115 -7.571 -8.697 2.991 1.00 0.25 C ATOM 1767 O SER A 115 -6.788 -9.400 3.624 1.00 0.28 O ATOM 1768 CB SER A 115 -7.086 -6.315 2.402 1.00 0.23 C ATOM 1769 OG SER A 115 -6.281 -6.157 3.554 1.00 1.04 O ATOM 0 H SER A 115 -8.517 -7.114 0.537 1.00 0.20 H new ATOM 0 HA SER A 115 -6.040 -8.012 1.644 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.730 -5.651 1.614 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.110 -6.020 2.629 1.00 0.23 H new ATOM 0 HG SER A 115 -5.580 -5.497 3.375 1.00 1.04 H new ATOM 1775 N LEU A 116 -8.894 -8.712 3.186 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.527 -9.664 4.097 1.00 0.31 C ATOM 1777 C LEU A 116 -9.172 -11.092 3.681 1.00 0.33 C ATOM 1778 O LEU A 116 -9.118 -12.001 4.509 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.062 -9.508 4.102 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.658 -8.337 4.910 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.080 -8.279 6.308 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.467 -7.007 4.208 1.00 0.35 C ATOM 0 H LEU A 116 -9.544 -8.076 2.725 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.156 -9.460 5.101 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.393 -9.406 3.068 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.493 -10.434 4.484 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.729 -8.524 4.986 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.521 -7.443 6.850 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.302 -9.209 6.832 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.000 -8.144 6.250 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -11.902 -6.211 4.812 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.402 -6.818 4.070 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -11.959 -7.035 3.236 1.00 0.35 H new ATOM 1794 N ALA A 117 -8.933 -11.262 2.385 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.588 -12.550 1.802 1.00 0.33 C ATOM 1796 C ALA A 117 -7.206 -13.016 2.253 1.00 0.33 C ATOM 1797 O ALA A 117 -7.030 -14.173 2.641 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.644 -12.450 0.281 1.00 0.32 C ATOM 0 H ALA A 117 -8.974 -10.502 1.706 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.311 -13.289 2.147 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.386 -13.414 -0.157 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.651 -12.169 -0.028 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.936 -11.695 -0.060 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.236 -12.113 2.209 1.00 0.29 N ATOM 1805 CA GLU A 118 -4.859 -12.453 2.549 1.00 0.30 C ATOM 1806 C GLU A 118 -4.615 -12.339 4.052 1.00 0.32 C ATOM 1807 O GLU A 118 -4.102 -13.262 4.681 1.00 0.36 O ATOM 1808 CB GLU A 118 -3.888 -11.538 1.802 1.00 0.27 C ATOM 1809 CG GLU A 118 -4.049 -11.574 0.291 1.00 0.30 C ATOM 1810 CD GLU A 118 -4.088 -12.979 -0.273 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -3.127 -13.741 -0.050 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -5.084 -13.323 -0.946 1.00 0.53 O ATOM 0 H GLU A 118 -6.376 -11.139 1.941 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.689 -13.487 2.249 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.029 -10.514 2.149 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -2.867 -11.823 2.056 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.967 -11.054 0.018 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.225 -11.028 -0.169 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.009 -11.211 4.622 1.00 0.32 N ATOM 1820 CA HIS A 119 -4.759 -10.924 6.026 1.00 0.36 C ATOM 1821 C HIS A 119 -5.870 -10.036 6.580 1.00 0.37 C ATOM 1822 O HIS A 119 -5.855 -8.814 6.406 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.372 -10.269 6.176 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.089 -9.583 7.484 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.154 -8.576 7.609 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -3.583 -9.781 8.722 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.082 -8.198 8.869 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -2.939 -8.915 9.565 1.00 0.50 N ATOM 0 H HIS A 119 -5.509 -10.472 4.127 1.00 0.32 H new ATOM 0 HA HIS A 119 -4.759 -11.849 6.603 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.614 -11.037 6.023 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.252 -9.539 5.375 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -1.604 -8.185 6.844 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -4.347 -10.492 8.999 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -1.431 -7.431 9.263 1.00 0.48 H new ATOM 1837 N ARG A 120 -6.830 -10.665 7.244 1.00 0.41 N ATOM 1838 CA ARG A 120 -7.956 -9.957 7.832 1.00 0.43 C ATOM 1839 C ARG A 120 -7.480 -8.951 8.873 1.00 0.46 C ATOM 1840 O ARG A 120 -6.794 -9.305 9.830 1.00 0.53 O ATOM 1841 CB ARG A 120 -8.938 -10.948 8.463 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.056 -10.283 9.249 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.062 -11.297 9.762 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.816 -11.931 8.680 1.00 1.38 N ATOM 1845 CZ ARG A 120 -12.782 -12.827 8.878 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.081 -13.221 10.109 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -13.441 -13.332 7.843 1.00 2.87 N ATOM 0 H ARG A 120 -6.850 -11.674 7.389 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.468 -9.413 7.038 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.375 -11.564 7.677 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.389 -11.618 9.125 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -9.633 -9.733 10.090 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -10.563 -9.556 8.615 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -10.541 -12.063 10.336 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -11.755 -10.804 10.444 1.00 0.62 H new ATOM 0 HE ARG A 120 -11.589 -11.672 7.720 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -12.571 -12.838 10.905 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -13.821 -13.907 10.259 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -13.208 -13.034 6.896 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -14.180 -14.018 7.995 1.00 2.87 H new ATOM 1861 N THR A 121 -7.836 -7.694 8.663 1.00 0.45 N ATOM 1862 CA THR A 121 -7.470 -6.633 9.580 1.00 0.50 C ATOM 1863 C THR A 121 -8.619 -5.657 9.777 1.00 0.49 C ATOM 1864 O THR A 121 -9.314 -5.278 8.830 1.00 0.47 O ATOM 1865 CB THR A 121 -6.219 -5.880 9.104 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.181 -5.808 7.671 1.00 0.52 O ATOM 1867 CG2 THR A 121 -4.958 -6.545 9.616 1.00 0.62 C ATOM 0 H THR A 121 -8.382 -7.385 7.859 1.00 0.45 H new ATOM 0 HA THR A 121 -7.242 -7.104 10.536 1.00 0.50 H new ATOM 0 HB THR A 121 -6.270 -4.869 9.507 1.00 0.53 H new ATOM 0 HG1 THR A 121 -5.939 -6.685 7.306 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.087 -5.992 9.265 1.00 0.62 H new ATOM 0 HG22 THR A 121 -4.968 -6.553 10.706 1.00 0.62 H new ATOM 0 HG23 THR A 121 -4.911 -7.569 9.246 1.00 0.62 H new ATOM 1875 N PRO A 122 -8.826 -5.278 11.048 1.00 0.56 N ATOM 1876 CA PRO A 122 -9.897 -4.378 11.504 1.00 0.56 C ATOM 1877 C PRO A 122 -10.053 -3.114 10.665 1.00 0.51 C ATOM 1878 O PRO A 122 -11.158 -2.592 10.530 1.00 0.50 O ATOM 1879 CB PRO A 122 -9.454 -4.001 12.930 1.00 0.65 C ATOM 1880 CG PRO A 122 -8.061 -4.522 13.052 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.014 -5.720 12.183 1.00 0.69 C ATOM 0 HA PRO A 122 -10.868 -4.869 11.434 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -9.486 -2.922 13.081 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -10.109 -4.447 13.678 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -7.333 -3.776 12.733 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -7.825 -4.776 14.085 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -6.996 -5.974 11.887 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -8.433 -6.600 12.671 1.00 0.69 H new ATOM 1889 N ASP A 123 -8.952 -2.619 10.116 1.00 0.50 N ATOM 1890 CA ASP A 123 -8.966 -1.390 9.331 1.00 0.48 C ATOM 1891 C ASP A 123 -9.632 -1.593 7.986 1.00 0.40 C ATOM 1892 O ASP A 123 -10.436 -0.769 7.561 1.00 0.40 O ATOM 1893 CB ASP A 123 -7.550 -0.844 9.140 1.00 0.55 C ATOM 1894 CG ASP A 123 -6.566 -1.869 8.626 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -6.318 -2.866 9.332 1.00 2.20 O ATOM 1896 OD2 ASP A 123 -6.003 -1.664 7.528 1.00 2.06 O ATOM 0 H ASP A 123 -8.032 -3.052 10.200 1.00 0.50 H new ATOM 0 HA ASP A 123 -9.550 -0.659 9.891 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.584 -0.006 8.444 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.190 -0.453 10.092 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.325 -2.692 7.320 1.00 0.35 N ATOM 1902 CA VAL A 124 -9.924 -2.952 6.026 1.00 0.29 C ATOM 1903 C VAL A 124 -11.351 -3.416 6.211 1.00 0.28 C ATOM 1904 O VAL A 124 -12.191 -3.233 5.341 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.173 -4.012 5.219 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.488 -3.860 3.740 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.680 -3.938 5.478 1.00 0.31 C ATOM 0 H VAL A 124 -8.676 -3.407 7.648 1.00 0.35 H new ATOM 0 HA VAL A 124 -9.879 -2.016 5.470 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.508 -4.998 5.541 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.949 -4.619 3.173 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.560 -3.982 3.582 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.182 -2.870 3.403 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.171 -4.703 4.892 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.309 -2.954 5.191 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.486 -4.104 6.538 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.613 -4.024 7.355 1.00 0.35 N ATOM 1918 CA LEU A 125 -12.960 -4.441 7.697 1.00 0.38 C ATOM 1919 C LEU A 125 -13.812 -3.196 7.909 1.00 0.38 C ATOM 1920 O LEU A 125 -14.912 -3.073 7.370 1.00 0.38 O ATOM 1921 CB LEU A 125 -12.925 -5.325 8.948 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.242 -6.006 9.334 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -13.961 -7.240 10.178 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.146 -5.056 10.105 1.00 0.54 C ATOM 0 H LEU A 125 -10.910 -4.239 8.062 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.398 -5.031 6.892 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.171 -6.098 8.800 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -12.596 -4.715 9.789 1.00 0.45 H new ATOM 0 HG LEU A 125 -14.752 -6.298 8.416 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -14.903 -7.718 10.448 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.349 -7.939 9.608 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -13.429 -6.948 11.084 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.073 -5.567 10.365 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -14.642 -4.733 11.016 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -15.372 -4.187 9.487 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.264 -2.264 8.678 1.00 0.40 N ATOM 1937 CA LYS A 126 -13.875 -0.961 8.901 1.00 0.42 C ATOM 1938 C LYS A 126 -14.077 -0.227 7.580 1.00 0.39 C ATOM 1939 O LYS A 126 -15.120 0.383 7.340 1.00 0.43 O ATOM 1940 CB LYS A 126 -12.973 -0.145 9.831 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.292 1.337 9.887 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.410 2.047 10.901 1.00 0.72 C ATOM 1943 CE LYS A 126 -12.729 3.531 10.988 1.00 1.37 C ATOM 1944 NZ LYS A 126 -14.131 3.781 11.416 1.00 2.04 N ATOM 0 H LYS A 126 -12.378 -2.392 9.167 1.00 0.40 H new ATOM 0 HA LYS A 126 -14.854 -1.095 9.361 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.046 -0.556 10.838 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -11.938 -0.268 9.511 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.149 1.781 8.902 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.340 1.477 10.151 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.542 1.589 11.881 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -11.363 1.916 10.627 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -12.046 4.007 11.692 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -12.560 3.995 10.016 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -14.242 4.783 11.673 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -14.779 3.550 10.636 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -14.354 3.185 12.239 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.069 -0.305 6.729 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.094 0.358 5.437 1.00 0.31 C ATOM 1960 C LYS A 127 -14.090 -0.282 4.490 1.00 0.27 C ATOM 1961 O LYS A 127 -14.819 0.412 3.784 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.709 0.323 4.810 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.052 1.687 4.753 1.00 0.52 C ATOM 1964 CD LYS A 127 -10.941 2.327 6.128 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.589 3.800 6.008 1.00 0.82 C ATOM 1966 NZ LYS A 127 -10.432 4.445 7.336 1.00 1.48 N ATOM 0 H LYS A 127 -12.213 -0.828 6.913 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.404 1.389 5.606 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.075 -0.356 5.380 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.783 -0.081 3.800 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.058 1.592 4.317 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.628 2.339 4.096 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -11.884 2.216 6.664 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.179 1.812 6.714 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -9.664 3.907 5.442 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.368 4.314 5.445 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -10.192 5.449 7.208 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -11.323 4.367 7.867 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.671 3.972 7.864 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.115 -1.602 4.472 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.983 -2.328 3.570 1.00 0.26 C ATOM 1982 C CYS A 128 -16.444 -2.066 3.913 1.00 0.29 C ATOM 1983 O CYS A 128 -17.302 -2.021 3.036 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.685 -3.828 3.622 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.731 -4.827 2.536 1.00 0.91 S ATOM 0 H CYS A 128 -13.542 -2.192 5.074 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.794 -1.976 2.556 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.641 -3.990 3.353 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -14.807 -4.176 4.648 1.00 0.26 H new ATOM 0 HG CYS A 128 -16.815 -4.168 2.251 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.724 -1.892 5.194 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.065 -1.544 5.620 1.00 0.36 C ATOM 1993 C GLN A 129 -18.378 -0.105 5.230 1.00 0.32 C ATOM 1994 O GLN A 129 -19.462 0.191 4.730 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.214 -1.728 7.126 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.052 -3.167 7.574 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.164 -3.318 9.076 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -17.843 -2.400 9.830 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -18.608 -4.481 9.521 1.00 1.10 N ATOM 0 H GLN A 129 -16.045 -1.986 5.950 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.772 -2.208 5.122 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -17.474 -1.111 7.635 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.196 -1.367 7.434 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -18.811 -3.783 7.092 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.082 -3.541 7.245 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -18.863 -5.216 8.861 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -18.695 -4.644 10.524 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.402 0.779 5.432 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.570 2.200 5.143 1.00 0.30 C ATOM 2010 C GLN A 130 -17.811 2.427 3.654 1.00 0.26 C ATOM 2011 O GLN A 130 -18.798 3.039 3.271 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.334 2.988 5.573 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.553 4.492 5.662 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.621 4.887 6.664 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -17.859 4.192 7.653 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -18.260 6.018 6.425 1.00 1.65 N ATOM 0 H GLN A 130 -16.482 0.533 5.797 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.436 2.549 5.705 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.004 2.622 6.545 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.527 2.791 4.867 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.614 4.973 5.935 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.831 4.870 4.678 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -18.034 6.566 5.595 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -18.979 6.344 7.071 1.00 1.65 H new ATOM 2025 N ALA A 131 -16.915 1.926 2.815 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.026 2.150 1.380 1.00 0.21 C ATOM 2027 C ALA A 131 -18.315 1.573 0.832 1.00 0.23 C ATOM 2028 O ALA A 131 -18.881 2.108 -0.117 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.846 1.559 0.632 1.00 0.20 C ATOM 0 H ALA A 131 -16.111 1.367 3.099 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.030 3.229 1.228 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.962 1.745 -0.436 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.924 2.022 0.983 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.803 0.485 0.811 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.786 0.490 1.433 1.00 0.26 N ATOM 2036 CA GLU A 132 -19.986 -0.157 0.948 1.00 0.35 C ATOM 2037 C GLU A 132 -21.215 0.699 1.260 1.00 0.35 C ATOM 2038 O GLU A 132 -22.047 0.940 0.383 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.141 -1.551 1.541 1.00 0.48 C ATOM 2040 CG GLU A 132 -21.190 -2.380 0.833 1.00 1.02 C ATOM 2041 CD GLU A 132 -21.517 -3.667 1.558 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -22.262 -3.618 2.559 1.00 1.41 O ATOM 2043 OE2 GLU A 132 -21.018 -4.733 1.144 1.00 2.04 O ATOM 0 H GLU A 132 -18.358 0.049 2.247 1.00 0.26 H new ATOM 0 HA GLU A 132 -19.898 -0.263 -0.133 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -19.183 -2.069 1.493 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.404 -1.464 2.595 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -22.100 -1.789 0.725 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.841 -2.615 -0.173 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.319 1.170 2.505 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.414 2.060 2.892 1.00 0.36 C ATOM 2052 C LYS A 133 -22.304 3.389 2.162 1.00 0.37 C ATOM 2053 O LYS A 133 -23.313 4.007 1.829 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.453 2.281 4.416 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.129 2.723 5.029 1.00 0.36 C ATOM 2056 CD LYS A 133 -20.950 4.239 5.114 1.00 0.66 C ATOM 2057 CE LYS A 133 -21.870 4.896 6.139 1.00 1.04 C ATOM 2058 NZ LYS A 133 -23.241 5.140 5.613 1.00 1.90 N ATOM 0 H LYS A 133 -20.664 0.952 3.256 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.349 1.579 2.604 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.211 3.031 4.641 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.769 1.355 4.896 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -21.048 2.303 6.031 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -20.312 2.305 4.441 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -19.914 4.462 5.369 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -21.138 4.676 4.133 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -21.933 4.261 7.023 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -21.434 5.843 6.457 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -23.541 6.105 5.860 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -23.240 5.032 4.579 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -23.901 4.454 6.032 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.075 3.820 1.910 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.845 5.050 1.178 1.00 0.34 C ATOM 2074 C ILE A 134 -21.306 4.903 -0.265 1.00 0.39 C ATOM 2075 O ILE A 134 -22.048 5.736 -0.785 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.360 5.472 1.190 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.939 5.954 2.569 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -19.109 6.563 0.181 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.483 6.358 2.650 1.00 0.33 C ATOM 0 H ILE A 134 -20.227 3.335 2.202 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.423 5.826 1.681 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.768 4.595 0.928 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.560 6.804 2.853 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.129 5.164 3.295 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -18.057 6.846 0.205 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.365 6.203 -0.815 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.724 7.430 0.422 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.254 6.691 3.662 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.854 5.504 2.397 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.291 7.170 1.949 1.00 0.33 H new ATOM 2091 N LEU A 135 -20.869 3.825 -0.905 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.207 3.568 -2.295 1.00 0.48 C ATOM 2093 C LEU A 135 -22.701 3.305 -2.444 1.00 0.58 C ATOM 2094 O LEU A 135 -23.288 3.574 -3.491 1.00 0.71 O ATOM 2095 CB LEU A 135 -20.402 2.384 -2.827 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.571 2.118 -4.321 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.985 3.247 -5.157 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -19.950 0.783 -4.700 1.00 1.37 C ATOM 0 H LEU A 135 -20.277 3.113 -0.478 1.00 0.38 H new ATOM 0 HA LEU A 135 -20.954 4.452 -2.880 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -19.346 2.557 -2.620 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -20.692 1.489 -2.277 1.00 0.51 H new ATOM 0 HG LEU A 135 -21.639 2.073 -4.534 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -20.122 3.025 -6.215 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -20.491 4.181 -4.913 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -18.921 3.344 -4.942 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.081 0.611 -5.768 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -18.886 0.796 -4.462 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -20.437 -0.016 -4.142 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.315 2.790 -1.384 1.00 0.58 N ATOM 2111 CA LYS A 136 -24.753 2.573 -1.370 1.00 0.72 C ATOM 2112 C LYS A 136 -25.486 3.907 -1.457 1.00 0.77 C ATOM 2113 O LYS A 136 -26.547 4.010 -2.070 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.166 1.813 -0.112 1.00 0.79 C ATOM 2115 CG LYS A 136 -26.636 1.433 -0.084 1.00 1.26 C ATOM 2116 CD LYS A 136 -26.967 0.573 1.124 1.00 1.73 C ATOM 2117 CE LYS A 136 -28.415 0.111 1.100 1.00 2.54 C ATOM 2118 NZ LYS A 136 -29.368 1.245 1.205 1.00 3.36 N ATOM 0 H LYS A 136 -22.838 2.516 -0.525 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.025 1.971 -2.237 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -24.564 0.908 -0.031 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -24.941 2.425 0.762 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.246 2.336 -0.067 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -26.891 0.894 -0.996 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -26.308 -0.295 1.146 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.780 1.139 2.037 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -28.605 -0.436 0.177 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -28.587 -0.583 1.923 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -30.334 0.877 1.321 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -29.120 1.832 2.027 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -29.319 1.821 0.341 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.899 4.933 -0.856 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.446 6.279 -0.936 1.00 0.82 C ATOM 2134 C GLU A 137 -25.244 6.862 -2.330 1.00 0.87 C ATOM 2135 O GLU A 137 -26.007 7.716 -2.779 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.803 7.178 0.102 1.00 0.82 C ATOM 2137 CG GLU A 137 -25.153 6.770 1.512 1.00 1.02 C ATOM 2138 CD GLU A 137 -26.647 6.653 1.735 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -27.370 7.646 1.499 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -27.109 5.566 2.141 1.00 2.28 O ATOM 0 H GLU A 137 -24.043 4.858 -0.307 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.516 6.221 -0.735 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.720 7.155 -0.022 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -25.121 8.207 -0.065 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -24.681 5.814 1.737 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.742 7.500 2.209 1.00 1.02 H new ATOM 2147 N GLN A 138 -24.212 6.381 -3.013 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.874 6.868 -4.345 1.00 0.89 C ATOM 2149 C GLN A 138 -24.853 6.332 -5.388 1.00 1.04 C ATOM 2150 O GLN A 138 -24.982 6.889 -6.480 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.449 6.460 -4.706 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.412 7.021 -3.753 1.00 0.80 C ATOM 2153 CD GLN A 138 -21.255 8.523 -3.866 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -20.455 9.018 -4.657 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -22.009 9.260 -3.065 1.00 1.60 N ATOM 0 H GLN A 138 -23.592 5.650 -2.664 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.944 7.956 -4.338 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -22.379 5.372 -4.711 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.225 6.799 -5.718 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.691 6.766 -2.731 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -20.451 6.545 -3.949 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -22.661 8.811 -2.422 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -21.938 10.277 -3.091 1.00 1.60 H new ATOM 2164 N GLU A 139 -25.528 5.240 -5.044 1.00 1.14 N ATOM 2165 CA GLU A 139 -26.504 4.619 -5.932 1.00 1.35 C ATOM 2166 C GLU A 139 -27.742 5.499 -6.078 1.00 1.86 C ATOM 2167 O GLU A 139 -28.664 5.376 -5.247 1.00 2.30 O ATOM 2168 CB GLU A 139 -26.910 3.245 -5.398 1.00 1.47 C ATOM 2169 CG GLU A 139 -25.742 2.298 -5.190 1.00 1.46 C ATOM 2170 CD GLU A 139 -26.180 0.939 -4.694 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -26.338 0.766 -3.466 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -26.366 0.032 -5.532 1.00 1.94 O ATOM 2173 OXT GLU A 139 -27.786 6.313 -7.021 1.00 2.51 O ATOM 0 H GLU A 139 -25.415 4.764 -4.149 1.00 1.14 H new ATOM 0 HA GLU A 139 -26.041 4.501 -6.912 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -27.434 3.374 -4.451 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -27.615 2.790 -6.093 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -25.201 2.181 -6.129 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -25.047 2.736 -4.474 1.00 1.46 H new TER 2180 GLU A 139