USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 747 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 75 THR OG1 : rot 180:sc= 0.0226 USER MOD Set 1.2: A 79 TYR OH : rot 29:sc= 0.943 USER MOD Set 2.1: A 28 ASN : amide:sc= -3.23! C(o=-3.2!,f=-4.6!) USER MOD Set 2.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 24 HIS : no HD1:sc= 0.383 K(o=-0.34,f=-1.3!) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= -0.724 USER MOD Single : A 1 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.13) USER MOD Single : A 1 HIS N :NH3+ -132:sc= -2.18! (180deg=-5.68!) USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= -0.0227 (180deg=-0.283) USER MOD Single : A 6 SER OG : rot 180:sc= -1.13 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.088 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.078) USER MOD Single : A 34 SER OG : rot 77:sc= 0.487 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 155:sc= -0.0452 (180deg=-0.416) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -7.04! C(o=-7!,f=-13!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -121:sc= -8.75! (180deg=-11!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.833 USER MOD Single : A 78 THR OG1 : rot 160:sc= -0.308 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 38:sc= 0.0167 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 100 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.0278) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 10.349 11.348 -1.667 1.00 8.15 N ATOM 2 CA HIS A 1 11.448 11.490 -2.606 1.00 7.02 C ATOM 3 C HIS A 1 11.636 10.183 -3.378 1.00 5.43 C ATOM 4 O HIS A 1 11.604 10.173 -4.607 1.00 5.53 O ATOM 5 CB HIS A 1 12.721 11.945 -1.888 1.00 7.31 C ATOM 6 CG HIS A 1 13.186 13.327 -2.277 1.00 8.29 C ATOM 7 ND1 HIS A 1 13.871 14.160 -1.410 1.00 9.31 N ATOM 8 CD2 HIS A 1 13.058 14.013 -3.449 1.00 8.82 C ATOM 9 CE1 HIS A 1 14.137 15.294 -2.041 1.00 10.18 C ATOM 10 NE2 HIS A 1 13.632 15.201 -3.305 1.00 9.93 N ATOM 0 H1 HIS A 1 9.712 12.166 -1.752 1.00 8.15 H new ATOM 0 H2 HIS A 1 9.823 10.476 -1.878 1.00 8.15 H new ATOM 0 H3 HIS A 1 10.724 11.300 -0.698 1.00 8.15 H new ATOM 0 HA HIS A 1 11.213 12.268 -3.332 1.00 7.02 H new ATOM 0 HB2 HIS A 1 12.547 11.921 -0.812 1.00 7.31 H new ATOM 0 HB3 HIS A 1 13.518 11.232 -2.098 1.00 7.31 H new ATOM 0 HD2 HIS A 1 12.572 13.651 -4.343 1.00 8.82 H new ATOM 0 HE1 HIS A 1 14.661 16.143 -1.628 1.00 10.18 H new ATOM 0 HE2 HIS A 1 13.687 15.925 -4.021 1.00 9.93 H new ATOM 20 N PRO A 2 11.836 9.083 -2.604 1.00 4.59 N ATOM 21 CA PRO A 2 12.029 7.773 -3.201 1.00 3.47 C ATOM 22 C PRO A 2 10.707 7.208 -3.725 1.00 2.95 C ATOM 23 O PRO A 2 9.653 7.440 -3.137 1.00 3.31 O ATOM 24 CB PRO A 2 12.643 6.924 -2.098 1.00 4.02 C ATOM 25 CG PRO A 2 12.341 7.650 -0.799 1.00 5.22 C ATOM 26 CD PRO A 2 11.881 9.057 -1.144 1.00 5.53 C ATOM 0 HA PRO A 2 12.681 7.801 -4.074 1.00 3.47 H new ATOM 0 HB2 PRO A 2 12.216 5.921 -2.093 1.00 4.02 H new ATOM 0 HB3 PRO A 2 13.718 6.813 -2.243 1.00 4.02 H new ATOM 0 HG2 PRO A 2 11.569 7.123 -0.239 1.00 5.22 H new ATOM 0 HG3 PRO A 2 13.228 7.683 -0.166 1.00 5.22 H new ATOM 0 HD2 PRO A 2 10.903 9.271 -0.713 1.00 5.53 H new ATOM 0 HD3 PRO A 2 12.571 9.806 -0.755 1.00 5.53 H new ATOM 34 N LYS A 3 10.809 6.477 -4.826 1.00 2.33 N ATOM 35 CA LYS A 3 9.633 5.877 -5.436 1.00 1.97 C ATOM 36 C LYS A 3 10.034 4.573 -6.128 1.00 1.37 C ATOM 37 O LYS A 3 10.938 4.561 -6.962 1.00 1.55 O ATOM 38 CB LYS A 3 8.941 6.878 -6.362 1.00 2.31 C ATOM 39 CG LYS A 3 9.903 7.386 -7.438 1.00 3.12 C ATOM 40 CD LYS A 3 9.473 6.909 -8.827 1.00 4.09 C ATOM 41 CE LYS A 3 10.375 7.498 -9.913 1.00 5.48 C ATOM 42 NZ LYS A 3 10.188 8.963 -10.003 1.00 5.55 N ATOM 0 H LYS A 3 11.686 6.287 -5.311 1.00 2.33 H new ATOM 0 HA LYS A 3 8.896 5.621 -4.675 1.00 1.97 H new ATOM 0 HB2 LYS A 3 8.079 6.407 -6.833 1.00 2.31 H new ATOM 0 HB3 LYS A 3 8.565 7.719 -5.779 1.00 2.31 H new ATOM 0 HG2 LYS A 3 9.935 8.475 -7.417 1.00 3.12 H new ATOM 0 HG3 LYS A 3 10.912 7.033 -7.225 1.00 3.12 H new ATOM 0 HD2 LYS A 3 9.510 5.820 -8.869 1.00 4.09 H new ATOM 0 HD3 LYS A 3 8.439 7.200 -9.011 1.00 4.09 H new ATOM 0 HE2 LYS A 3 11.418 7.271 -9.690 1.00 5.48 H new ATOM 0 HE3 LYS A 3 10.147 7.036 -10.874 1.00 5.48 H new ATOM 0 HZ1 LYS A 3 10.571 9.307 -10.907 1.00 5.55 H new ATOM 0 HZ2 LYS A 3 9.174 9.188 -9.948 1.00 5.55 H new ATOM 0 HZ3 LYS A 3 10.688 9.426 -9.217 1.00 5.55 H new ATOM 56 N LEU A 4 9.341 3.507 -5.758 1.00 0.87 N ATOM 57 CA LEU A 4 9.612 2.200 -6.334 1.00 0.64 C ATOM 58 C LEU A 4 9.536 2.294 -7.859 1.00 0.59 C ATOM 59 O LEU A 4 9.192 3.342 -8.404 1.00 0.67 O ATOM 60 CB LEU A 4 8.678 1.146 -5.736 1.00 0.88 C ATOM 61 CG LEU A 4 7.208 1.242 -6.147 1.00 0.56 C ATOM 62 CD1 LEU A 4 6.796 2.698 -6.376 1.00 0.69 C ATOM 63 CD2 LEU A 4 6.922 0.366 -7.369 1.00 0.52 C ATOM 0 H LEU A 4 8.592 3.521 -5.066 1.00 0.87 H new ATOM 0 HA LEU A 4 10.622 1.876 -6.084 1.00 0.64 H new ATOM 0 HB2 LEU A 4 9.049 0.160 -6.015 1.00 0.88 H new ATOM 0 HB3 LEU A 4 8.736 1.212 -4.650 1.00 0.88 H new ATOM 0 HG LEU A 4 6.599 0.861 -5.328 1.00 0.56 H new ATOM 0 HD11 LEU A 4 5.746 2.738 -6.667 1.00 0.69 H new ATOM 0 HD12 LEU A 4 6.939 3.266 -5.457 1.00 0.69 H new ATOM 0 HD13 LEU A 4 7.409 3.129 -7.168 1.00 0.69 H new ATOM 0 HD21 LEU A 4 5.870 0.452 -7.640 1.00 0.52 H new ATOM 0 HD22 LEU A 4 7.540 0.694 -8.205 1.00 0.52 H new ATOM 0 HD23 LEU A 4 7.152 -0.673 -7.134 1.00 0.52 H new ATOM 75 N VAL A 5 9.863 1.185 -8.506 1.00 0.56 N ATOM 76 CA VAL A 5 9.836 1.129 -9.957 1.00 0.61 C ATOM 77 C VAL A 5 8.463 1.585 -10.456 1.00 0.60 C ATOM 78 O VAL A 5 8.311 2.712 -10.921 1.00 0.73 O ATOM 79 CB VAL A 5 10.209 -0.277 -10.434 1.00 0.65 C ATOM 80 CG1 VAL A 5 10.024 -0.409 -11.947 1.00 0.81 C ATOM 81 CG2 VAL A 5 11.638 -0.634 -10.022 1.00 0.75 C ATOM 0 H VAL A 5 10.148 0.318 -8.051 1.00 0.56 H new ATOM 0 HA VAL A 5 10.577 1.808 -10.379 1.00 0.61 H new ATOM 0 HB VAL A 5 9.535 -0.985 -9.952 1.00 0.65 H new ATOM 0 HG11 VAL A 5 10.296 -1.417 -12.260 1.00 0.81 H new ATOM 0 HG12 VAL A 5 8.982 -0.218 -12.204 1.00 0.81 H new ATOM 0 HG13 VAL A 5 10.662 0.313 -12.456 1.00 0.81 H new ATOM 0 HG21 VAL A 5 11.878 -1.638 -10.373 1.00 0.75 H new ATOM 0 HG22 VAL A 5 12.333 0.080 -10.463 1.00 0.75 H new ATOM 0 HG23 VAL A 5 11.723 -0.600 -8.936 1.00 0.75 H new ATOM 91 N SER A 6 7.498 0.683 -10.341 1.00 0.51 N ATOM 92 CA SER A 6 6.143 0.979 -10.774 1.00 0.49 C ATOM 93 C SER A 6 5.143 0.154 -9.962 1.00 0.45 C ATOM 94 O SER A 6 5.434 -0.977 -9.577 1.00 0.46 O ATOM 95 CB SER A 6 5.971 0.702 -12.269 1.00 0.54 C ATOM 96 OG SER A 6 7.189 0.873 -12.988 1.00 0.69 O ATOM 0 H SER A 6 7.628 -0.252 -9.955 1.00 0.51 H new ATOM 0 HA SER A 6 5.952 2.039 -10.604 1.00 0.49 H new ATOM 0 HB2 SER A 6 5.607 -0.316 -12.409 1.00 0.54 H new ATOM 0 HB3 SER A 6 5.213 1.371 -12.677 1.00 0.54 H new ATOM 0 HG SER A 6 7.037 0.685 -13.938 1.00 0.69 H new ATOM 102 N SER A 7 3.984 0.752 -9.726 1.00 0.42 N ATOM 103 CA SER A 7 2.939 0.087 -8.967 1.00 0.39 C ATOM 104 C SER A 7 1.574 0.673 -9.331 1.00 0.38 C ATOM 105 O SER A 7 1.494 1.751 -9.920 1.00 0.40 O ATOM 106 CB SER A 7 3.187 0.213 -7.462 1.00 0.40 C ATOM 107 OG SER A 7 3.351 1.570 -7.059 1.00 0.48 O ATOM 0 H SER A 7 3.746 1.690 -10.047 1.00 0.42 H new ATOM 0 HA SER A 7 2.952 -0.972 -9.223 1.00 0.39 H new ATOM 0 HB2 SER A 7 2.351 -0.228 -6.919 1.00 0.40 H new ATOM 0 HB3 SER A 7 4.077 -0.355 -7.193 1.00 0.40 H new ATOM 0 HG SER A 7 3.505 1.608 -6.092 1.00 0.48 H new ATOM 113 N THR A 8 0.533 -0.061 -8.965 1.00 0.38 N ATOM 114 CA THR A 8 -0.824 0.374 -9.246 1.00 0.39 C ATOM 115 C THR A 8 -1.729 0.110 -8.039 1.00 0.39 C ATOM 116 O THR A 8 -2.702 -0.635 -8.140 1.00 0.44 O ATOM 117 CB THR A 8 -1.292 -0.332 -10.520 1.00 0.44 C ATOM 118 OG1 THR A 8 -0.397 0.138 -11.526 1.00 0.60 O ATOM 119 CG2 THR A 8 -2.665 0.155 -10.989 1.00 0.56 C ATOM 0 H THR A 8 0.602 -0.954 -8.476 1.00 0.38 H new ATOM 0 HA THR A 8 -0.867 1.450 -9.418 1.00 0.39 H new ATOM 0 HB THR A 8 -1.327 -1.408 -10.346 1.00 0.44 H new ATOM 0 HG1 THR A 8 -0.627 -0.271 -12.386 1.00 0.60 H new ATOM 0 HG21 THR A 8 -2.950 -0.378 -11.896 1.00 0.56 H new ATOM 0 HG22 THR A 8 -3.404 -0.034 -10.210 1.00 0.56 H new ATOM 0 HG23 THR A 8 -2.621 1.224 -11.195 1.00 0.56 H new ATOM 127 N PRO A 9 -1.365 0.753 -6.898 1.00 0.37 N ATOM 128 CA PRO A 9 -2.132 0.596 -5.674 1.00 0.39 C ATOM 129 C PRO A 9 -3.442 1.385 -5.742 1.00 0.41 C ATOM 130 O PRO A 9 -4.521 0.798 -5.809 1.00 0.49 O ATOM 131 CB PRO A 9 -1.208 1.075 -4.567 1.00 0.38 C ATOM 132 CG PRO A 9 -0.139 1.913 -5.249 1.00 0.35 C ATOM 133 CD PRO A 9 -0.219 1.644 -6.742 1.00 0.34 C ATOM 0 HA PRO A 9 -2.440 -0.435 -5.500 1.00 0.39 H new ATOM 0 HB2 PRO A 9 -1.754 1.664 -3.830 1.00 0.38 H new ATOM 0 HB3 PRO A 9 -0.764 0.232 -4.037 1.00 0.38 H new ATOM 0 HG2 PRO A 9 -0.295 2.972 -5.043 1.00 0.35 H new ATOM 0 HG3 PRO A 9 0.849 1.656 -4.867 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -0.357 2.568 -7.304 1.00 0.34 H new ATOM 0 HD3 PRO A 9 0.696 1.180 -7.110 1.00 0.34 H new ATOM 141 N ALA A 10 -3.304 2.702 -5.725 1.00 0.39 N ATOM 142 CA ALA A 10 -4.462 3.577 -5.784 1.00 0.42 C ATOM 143 C ALA A 10 -3.997 5.035 -5.768 1.00 0.41 C ATOM 144 O ALA A 10 -4.562 5.862 -5.055 1.00 0.41 O ATOM 145 CB ALA A 10 -5.406 3.254 -4.624 1.00 0.44 C ATOM 0 H ALA A 10 -2.407 3.185 -5.671 1.00 0.39 H new ATOM 0 HA ALA A 10 -5.016 3.418 -6.709 1.00 0.42 H new ATOM 0 HB1 ALA A 10 -6.275 3.911 -4.668 1.00 0.44 H new ATOM 0 HB2 ALA A 10 -5.731 2.216 -4.698 1.00 0.44 H new ATOM 0 HB3 ALA A 10 -4.885 3.405 -3.678 1.00 0.44 H new ATOM 151 N GLU A 11 -2.971 5.304 -6.562 1.00 0.44 N ATOM 152 CA GLU A 11 -2.422 6.647 -6.648 1.00 0.50 C ATOM 153 C GLU A 11 -3.552 7.679 -6.691 1.00 0.52 C ATOM 154 O GLU A 11 -4.194 7.858 -7.725 1.00 0.57 O ATOM 155 CB GLU A 11 -1.504 6.787 -7.862 1.00 0.60 C ATOM 156 CG GLU A 11 -0.033 6.736 -7.447 1.00 0.74 C ATOM 157 CD GLU A 11 0.793 5.929 -8.450 1.00 1.40 C ATOM 158 OE1 GLU A 11 0.700 4.694 -8.478 1.00 2.69 O ATOM 159 OE2 GLU A 11 1.553 6.632 -9.221 1.00 1.86 O ATOM 0 H GLU A 11 -2.505 4.615 -7.152 1.00 0.44 H new ATOM 0 HA GLU A 11 -1.821 6.832 -5.758 1.00 0.50 H new ATOM 0 HB2 GLU A 11 -1.712 5.988 -8.574 1.00 0.60 H new ATOM 0 HB3 GLU A 11 -1.709 7.729 -8.371 1.00 0.60 H new ATOM 0 HG2 GLU A 11 0.364 7.749 -7.376 1.00 0.74 H new ATOM 0 HG3 GLU A 11 0.054 6.289 -6.457 1.00 0.74 H new ATOM 166 N GLY A 12 -3.759 8.331 -5.557 1.00 0.50 N ATOM 167 CA GLY A 12 -4.799 9.340 -5.453 1.00 0.53 C ATOM 168 C GLY A 12 -6.099 8.857 -6.100 1.00 0.57 C ATOM 169 O GLY A 12 -6.837 9.649 -6.685 1.00 0.70 O ATOM 0 H GLY A 12 -3.224 8.180 -4.702 1.00 0.50 H new ATOM 0 HA2 GLY A 12 -4.977 9.577 -4.404 1.00 0.53 H new ATOM 0 HA3 GLY A 12 -4.468 10.259 -5.936 1.00 0.53 H new ATOM 173 N SER A 13 -6.338 7.560 -5.974 1.00 0.58 N ATOM 174 CA SER A 13 -7.536 6.962 -6.540 1.00 0.65 C ATOM 175 C SER A 13 -8.771 7.435 -5.769 1.00 0.52 C ATOM 176 O SER A 13 -9.087 6.899 -4.709 1.00 0.49 O ATOM 177 CB SER A 13 -7.450 5.435 -6.521 1.00 0.82 C ATOM 178 OG SER A 13 -7.843 4.862 -7.766 1.00 1.35 O ATOM 0 H SER A 13 -5.723 6.907 -5.489 1.00 0.58 H new ATOM 0 HA SER A 13 -7.620 7.281 -7.579 1.00 0.65 H new ATOM 0 HB2 SER A 13 -6.429 5.132 -6.289 1.00 0.82 H new ATOM 0 HB3 SER A 13 -8.086 5.046 -5.726 1.00 0.82 H new ATOM 0 HG SER A 13 -7.773 3.886 -7.714 1.00 1.35 H new ATOM 184 N GLU A 14 -9.435 8.433 -6.333 1.00 0.53 N ATOM 185 CA GLU A 14 -10.627 8.984 -5.713 1.00 0.57 C ATOM 186 C GLU A 14 -11.864 8.650 -6.552 1.00 0.65 C ATOM 187 O GLU A 14 -11.921 8.976 -7.736 1.00 0.76 O ATOM 188 CB GLU A 14 -10.493 10.494 -5.511 1.00 0.77 C ATOM 189 CG GLU A 14 -9.163 10.841 -4.840 1.00 0.87 C ATOM 190 CD GLU A 14 -8.772 12.294 -5.116 1.00 1.16 C ATOM 191 OE1 GLU A 14 -9.596 13.203 -4.938 1.00 1.31 O ATOM 192 OE2 GLU A 14 -7.561 12.463 -5.530 1.00 1.99 O ATOM 0 H GLU A 14 -9.170 8.874 -7.213 1.00 0.53 H new ATOM 0 HA GLU A 14 -10.745 8.529 -4.730 1.00 0.57 H new ATOM 0 HB2 GLU A 14 -10.562 11.001 -6.474 1.00 0.77 H new ATOM 0 HB3 GLU A 14 -11.319 10.857 -4.899 1.00 0.77 H new ATOM 0 HG2 GLU A 14 -9.241 10.680 -3.765 1.00 0.87 H new ATOM 0 HG3 GLU A 14 -8.382 10.175 -5.206 1.00 0.87 H new ATOM 199 N GLY A 15 -12.822 8.005 -5.903 1.00 0.68 N ATOM 200 CA GLY A 15 -14.053 7.625 -6.574 1.00 0.89 C ATOM 201 C GLY A 15 -14.692 6.409 -5.898 1.00 0.64 C ATOM 202 O GLY A 15 -15.890 6.410 -5.615 1.00 0.60 O ATOM 0 H GLY A 15 -12.771 7.736 -4.920 1.00 0.68 H new ATOM 0 HA2 GLY A 15 -14.752 8.462 -6.562 1.00 0.89 H new ATOM 0 HA3 GLY A 15 -13.846 7.398 -7.620 1.00 0.89 H new ATOM 206 N ALA A 16 -13.866 5.402 -5.660 1.00 0.75 N ATOM 207 CA ALA A 16 -14.335 4.183 -5.023 1.00 0.78 C ATOM 208 C ALA A 16 -13.131 3.335 -4.607 1.00 1.08 C ATOM 209 O ALA A 16 -12.005 3.604 -5.020 1.00 1.72 O ATOM 210 CB ALA A 16 -15.272 3.437 -5.975 1.00 1.01 C ATOM 0 H ALA A 16 -12.874 5.405 -5.897 1.00 0.75 H new ATOM 0 HA ALA A 16 -14.903 4.415 -4.122 1.00 0.78 H new ATOM 0 HB1 ALA A 16 -15.624 2.523 -5.497 1.00 1.01 H new ATOM 0 HB2 ALA A 16 -16.125 4.071 -6.217 1.00 1.01 H new ATOM 0 HB3 ALA A 16 -14.736 3.185 -6.890 1.00 1.01 H new ATOM 216 N ALA A 17 -13.411 2.329 -3.792 1.00 0.81 N ATOM 217 CA ALA A 17 -12.366 1.440 -3.313 1.00 1.06 C ATOM 218 C ALA A 17 -11.911 0.533 -4.459 1.00 0.91 C ATOM 219 O ALA A 17 -12.735 -0.074 -5.141 1.00 0.86 O ATOM 220 CB ALA A 17 -12.881 0.645 -2.112 1.00 1.35 C ATOM 0 H ALA A 17 -14.347 2.110 -3.451 1.00 0.81 H new ATOM 0 HA ALA A 17 -11.500 2.011 -2.978 1.00 1.06 H new ATOM 0 HB1 ALA A 17 -12.097 -0.022 -1.753 1.00 1.35 H new ATOM 0 HB2 ALA A 17 -13.165 1.333 -1.315 1.00 1.35 H new ATOM 0 HB3 ALA A 17 -13.749 0.057 -2.410 1.00 1.35 H new ATOM 226 N PRO A 18 -10.564 0.469 -4.641 1.00 0.91 N ATOM 227 CA PRO A 18 -9.989 -0.353 -5.692 1.00 0.85 C ATOM 228 C PRO A 18 -10.045 -1.836 -5.320 1.00 0.79 C ATOM 229 O PRO A 18 -9.926 -2.192 -4.149 1.00 1.24 O ATOM 230 CB PRO A 18 -8.570 0.164 -5.863 1.00 0.97 C ATOM 231 CG PRO A 18 -8.252 0.936 -4.592 1.00 1.07 C ATOM 232 CD PRO A 18 -9.558 1.174 -3.852 1.00 1.05 C ATOM 0 HA PRO A 18 -10.540 -0.283 -6.630 1.00 0.85 H new ATOM 0 HB2 PRO A 18 -7.869 -0.658 -6.006 1.00 0.97 H new ATOM 0 HB3 PRO A 18 -8.491 0.806 -6.740 1.00 0.97 H new ATOM 0 HG2 PRO A 18 -7.557 0.374 -3.968 1.00 1.07 H new ATOM 0 HG3 PRO A 18 -7.771 1.884 -4.832 1.00 1.07 H new ATOM 0 HD2 PRO A 18 -9.512 0.789 -2.833 1.00 1.05 H new ATOM 0 HD3 PRO A 18 -9.785 2.238 -3.781 1.00 1.05 H new ATOM 240 N ALA A 19 -10.227 -2.662 -6.341 1.00 0.62 N ATOM 241 CA ALA A 19 -10.300 -4.099 -6.135 1.00 0.64 C ATOM 242 C ALA A 19 -9.106 -4.552 -5.291 1.00 0.55 C ATOM 243 O ALA A 19 -9.283 -5.138 -4.226 1.00 0.56 O ATOM 244 CB ALA A 19 -10.355 -4.805 -7.492 1.00 0.78 C ATOM 0 H ALA A 19 -10.326 -2.364 -7.311 1.00 0.62 H new ATOM 0 HA ALA A 19 -11.207 -4.363 -5.591 1.00 0.64 H new ATOM 0 HB1 ALA A 19 -10.410 -5.883 -7.339 1.00 0.78 H new ATOM 0 HB2 ALA A 19 -11.236 -4.471 -8.041 1.00 0.78 H new ATOM 0 HB3 ALA A 19 -9.459 -4.565 -8.064 1.00 0.78 H new ATOM 250 N LYS A 20 -7.918 -4.260 -5.801 1.00 0.51 N ATOM 251 CA LYS A 20 -6.696 -4.630 -5.106 1.00 0.45 C ATOM 252 C LYS A 20 -5.585 -3.648 -5.482 1.00 0.42 C ATOM 253 O LYS A 20 -5.759 -2.818 -6.374 1.00 0.62 O ATOM 254 CB LYS A 20 -6.344 -6.092 -5.384 1.00 0.52 C ATOM 255 CG LYS A 20 -6.014 -6.306 -6.863 1.00 0.62 C ATOM 256 CD LYS A 20 -5.308 -7.646 -7.080 1.00 1.66 C ATOM 257 CE LYS A 20 -6.053 -8.498 -8.111 1.00 1.79 C ATOM 258 NZ LYS A 20 -5.094 -9.204 -8.989 1.00 2.95 N ATOM 0 H LYS A 20 -7.776 -3.772 -6.686 1.00 0.51 H new ATOM 0 HA LYS A 20 -6.834 -4.559 -4.027 1.00 0.45 H new ATOM 0 HB2 LYS A 20 -5.492 -6.387 -4.771 1.00 0.52 H new ATOM 0 HB3 LYS A 20 -7.179 -6.731 -5.098 1.00 0.52 H new ATOM 0 HG2 LYS A 20 -6.931 -6.275 -7.452 1.00 0.62 H new ATOM 0 HG3 LYS A 20 -5.379 -5.495 -7.218 1.00 0.62 H new ATOM 0 HD2 LYS A 20 -4.286 -7.472 -7.417 1.00 1.66 H new ATOM 0 HD3 LYS A 20 -5.245 -8.185 -6.135 1.00 1.66 H new ATOM 0 HE2 LYS A 20 -6.690 -9.221 -7.602 1.00 1.79 H new ATOM 0 HE3 LYS A 20 -6.707 -7.865 -8.711 1.00 1.79 H new ATOM 0 HZ1 LYS A 20 -5.615 -9.777 -9.683 1.00 2.95 H new ATOM 0 HZ2 LYS A 20 -4.504 -8.509 -9.489 1.00 2.95 H new ATOM 0 HZ3 LYS A 20 -4.488 -9.823 -8.414 1.00 2.95 H new ATOM 272 N ILE A 21 -4.467 -3.774 -4.783 1.00 0.45 N ATOM 273 CA ILE A 21 -3.327 -2.907 -5.031 1.00 0.41 C ATOM 274 C ILE A 21 -2.249 -3.692 -5.782 1.00 0.41 C ATOM 275 O ILE A 21 -2.018 -4.865 -5.496 1.00 0.41 O ATOM 276 CB ILE A 21 -2.834 -2.282 -3.725 1.00 0.41 C ATOM 277 CG1 ILE A 21 -3.582 -0.982 -3.423 1.00 0.42 C ATOM 278 CG2 ILE A 21 -1.318 -2.078 -3.752 1.00 0.39 C ATOM 279 CD1 ILE A 21 -4.405 -1.109 -2.139 1.00 0.48 C ATOM 0 H ILE A 21 -4.326 -4.463 -4.045 1.00 0.45 H new ATOM 0 HA ILE A 21 -3.616 -2.071 -5.668 1.00 0.41 H new ATOM 0 HB ILE A 21 -3.051 -2.975 -2.912 1.00 0.41 H new ATOM 0 HG12 ILE A 21 -2.870 -0.163 -3.323 1.00 0.42 H new ATOM 0 HG13 ILE A 21 -4.238 -0.734 -4.257 1.00 0.42 H new ATOM 0 HG21 ILE A 21 -0.994 -1.632 -2.812 1.00 0.39 H new ATOM 0 HG22 ILE A 21 -0.824 -3.040 -3.887 1.00 0.39 H new ATOM 0 HG23 ILE A 21 -1.055 -1.416 -4.577 1.00 0.39 H new ATOM 0 HD11 ILE A 21 -4.927 -0.171 -1.947 1.00 0.48 H new ATOM 0 HD12 ILE A 21 -5.133 -1.913 -2.251 1.00 0.48 H new ATOM 0 HD13 ILE A 21 -3.743 -1.333 -1.303 1.00 0.48 H new ATOM 291 N GLU A 22 -1.619 -3.012 -6.729 1.00 0.41 N ATOM 292 CA GLU A 22 -0.572 -3.631 -7.523 1.00 0.42 C ATOM 293 C GLU A 22 0.777 -2.969 -7.232 1.00 0.38 C ATOM 294 O GLU A 22 0.837 -1.775 -6.945 1.00 0.37 O ATOM 295 CB GLU A 22 -0.903 -3.565 -9.016 1.00 0.45 C ATOM 296 CG GLU A 22 -0.772 -4.942 -9.668 1.00 0.56 C ATOM 297 CD GLU A 22 -0.432 -4.814 -11.155 1.00 0.98 C ATOM 298 OE1 GLU A 22 -0.829 -3.832 -11.799 1.00 1.67 O ATOM 299 OE2 GLU A 22 0.272 -5.780 -11.638 1.00 1.86 O ATOM 0 H GLU A 22 -1.814 -2.039 -6.964 1.00 0.41 H new ATOM 0 HA GLU A 22 -0.507 -4.683 -7.245 1.00 0.42 H new ATOM 0 HB2 GLU A 22 -1.917 -3.190 -9.151 1.00 0.45 H new ATOM 0 HB3 GLU A 22 -0.234 -2.860 -9.510 1.00 0.45 H new ATOM 0 HG2 GLU A 22 0.004 -5.516 -9.162 1.00 0.56 H new ATOM 0 HG3 GLU A 22 -1.704 -5.494 -9.551 1.00 0.56 H new ATOM 306 N LEU A 23 1.826 -3.774 -7.314 1.00 0.38 N ATOM 307 CA LEU A 23 3.170 -3.282 -7.063 1.00 0.38 C ATOM 308 C LEU A 23 4.161 -4.046 -7.942 1.00 0.42 C ATOM 309 O LEU A 23 3.991 -5.241 -8.182 1.00 0.44 O ATOM 310 CB LEU A 23 3.494 -3.350 -5.569 1.00 0.38 C ATOM 311 CG LEU A 23 2.525 -2.618 -4.638 1.00 0.37 C ATOM 312 CD1 LEU A 23 2.589 -3.190 -3.221 1.00 0.41 C ATOM 313 CD2 LEU A 23 2.777 -1.109 -4.661 1.00 0.37 C ATOM 0 H LEU A 23 1.772 -4.765 -7.551 1.00 0.38 H new ATOM 0 HA LEU A 23 3.248 -2.230 -7.336 1.00 0.38 H new ATOM 0 HB2 LEU A 23 3.529 -4.398 -5.273 1.00 0.38 H new ATOM 0 HB3 LEU A 23 4.493 -2.941 -5.415 1.00 0.38 H new ATOM 0 HG LEU A 23 1.511 -2.780 -5.004 1.00 0.37 H new ATOM 0 HD11 LEU A 23 1.891 -2.652 -2.580 1.00 0.41 H new ATOM 0 HD12 LEU A 23 2.322 -4.246 -3.243 1.00 0.41 H new ATOM 0 HD13 LEU A 23 3.600 -3.080 -2.829 1.00 0.41 H new ATOM 0 HD21 LEU A 23 2.075 -0.613 -3.991 1.00 0.37 H new ATOM 0 HD22 LEU A 23 3.797 -0.905 -4.334 1.00 0.37 H new ATOM 0 HD23 LEU A 23 2.639 -0.732 -5.675 1.00 0.37 H new ATOM 325 N HIS A 24 5.174 -3.326 -8.400 1.00 0.44 N ATOM 326 CA HIS A 24 6.193 -3.920 -9.248 1.00 0.49 C ATOM 327 C HIS A 24 7.563 -3.343 -8.888 1.00 0.47 C ATOM 328 O HIS A 24 7.667 -2.178 -8.503 1.00 0.47 O ATOM 329 CB HIS A 24 5.843 -3.739 -10.727 1.00 0.55 C ATOM 330 CG HIS A 24 4.822 -4.726 -11.242 1.00 0.64 C ATOM 331 ND1 HIS A 24 5.163 -5.988 -11.696 1.00 0.76 N ATOM 332 CD2 HIS A 24 3.469 -4.623 -11.369 1.00 0.70 C ATOM 333 CE1 HIS A 24 4.055 -6.607 -12.078 1.00 0.83 C ATOM 334 NE2 HIS A 24 3.007 -5.759 -11.875 1.00 0.80 N ATOM 0 H HIS A 24 5.311 -2.335 -8.200 1.00 0.44 H new ATOM 0 HA HIS A 24 6.234 -4.995 -9.073 1.00 0.49 H new ATOM 0 HB2 HIS A 24 5.465 -2.728 -10.879 1.00 0.55 H new ATOM 0 HB3 HIS A 24 6.753 -3.831 -11.319 1.00 0.55 H new ATOM 0 HD2 HIS A 24 2.874 -3.762 -11.103 1.00 0.70 H new ATOM 0 HE1 HIS A 24 3.993 -7.608 -12.480 1.00 0.83 H new ATOM 0 HE2 HIS A 24 2.029 -5.964 -12.079 1.00 0.80 H new ATOM 342 N PHE A 25 8.578 -4.183 -9.024 1.00 0.60 N ATOM 343 CA PHE A 25 9.937 -3.769 -8.717 1.00 0.61 C ATOM 344 C PHE A 25 10.951 -4.551 -9.557 1.00 0.77 C ATOM 345 O PHE A 25 11.308 -5.678 -9.214 1.00 1.24 O ATOM 346 CB PHE A 25 10.174 -4.075 -7.237 1.00 0.69 C ATOM 347 CG PHE A 25 9.059 -3.582 -6.314 1.00 0.74 C ATOM 348 CD1 PHE A 25 7.934 -4.327 -6.147 1.00 2.26 C ATOM 349 CD2 PHE A 25 9.193 -2.397 -5.659 1.00 1.54 C ATOM 350 CE1 PHE A 25 6.899 -3.869 -5.290 1.00 2.86 C ATOM 351 CE2 PHE A 25 8.159 -1.939 -4.801 1.00 1.59 C ATOM 352 CZ PHE A 25 7.033 -2.685 -4.635 1.00 1.92 C ATOM 0 H PHE A 25 8.487 -5.148 -9.342 1.00 0.60 H new ATOM 0 HA PHE A 25 10.063 -2.709 -8.938 1.00 0.61 H new ATOM 0 HB2 PHE A 25 10.285 -5.152 -7.112 1.00 0.69 H new ATOM 0 HB3 PHE A 25 11.115 -3.620 -6.928 1.00 0.69 H new ATOM 0 HD1 PHE A 25 7.828 -5.268 -6.667 1.00 2.26 H new ATOM 0 HD2 PHE A 25 10.086 -1.805 -5.792 1.00 1.54 H new ATOM 0 HE1 PHE A 25 6.005 -4.461 -5.158 1.00 2.86 H new ATOM 0 HE2 PHE A 25 8.266 -0.999 -4.280 1.00 1.59 H new ATOM 0 HZ PHE A 25 6.246 -2.337 -3.983 1.00 1.92 H new ATOM 362 N SER A 26 11.384 -3.923 -10.639 1.00 0.68 N ATOM 363 CA SER A 26 12.349 -4.546 -11.530 1.00 0.83 C ATOM 364 C SER A 26 13.715 -4.629 -10.846 1.00 0.77 C ATOM 365 O SER A 26 14.633 -5.265 -11.360 1.00 0.93 O ATOM 366 CB SER A 26 12.461 -3.774 -12.846 1.00 1.20 C ATOM 367 OG SER A 26 12.949 -4.594 -13.905 1.00 2.10 O ATOM 0 H SER A 26 11.085 -2.989 -10.920 1.00 0.68 H new ATOM 0 HA SER A 26 12.002 -5.554 -11.759 1.00 0.83 H new ATOM 0 HB2 SER A 26 11.483 -3.375 -13.117 1.00 1.20 H new ATOM 0 HB3 SER A 26 13.127 -2.922 -12.711 1.00 1.20 H new ATOM 0 HG SER A 26 13.005 -4.066 -14.729 1.00 2.10 H new ATOM 373 N GLU A 27 13.806 -3.979 -9.694 1.00 0.90 N ATOM 374 CA GLU A 27 15.043 -3.972 -8.934 1.00 1.37 C ATOM 375 C GLU A 27 14.968 -4.982 -7.789 1.00 1.26 C ATOM 376 O GLU A 27 15.552 -4.768 -6.728 1.00 1.96 O ATOM 377 CB GLU A 27 15.356 -2.569 -8.409 1.00 1.92 C ATOM 378 CG GLU A 27 14.374 -2.164 -7.308 1.00 3.87 C ATOM 379 CD GLU A 27 14.333 -0.643 -7.142 1.00 5.20 C ATOM 380 OE1 GLU A 27 14.116 0.034 -8.170 1.00 5.76 O ATOM 381 OE2 GLU A 27 14.519 -0.192 -5.991 1.00 6.15 O ATOM 0 H GLU A 27 13.042 -3.453 -9.269 1.00 0.90 H new ATOM 0 HA GLU A 27 15.856 -4.265 -9.598 1.00 1.37 H new ATOM 0 HB2 GLU A 27 16.374 -2.541 -8.021 1.00 1.92 H new ATOM 0 HB3 GLU A 27 15.306 -1.851 -9.228 1.00 1.92 H new ATOM 0 HG2 GLU A 27 13.378 -2.534 -7.550 1.00 3.87 H new ATOM 0 HG3 GLU A 27 14.666 -2.628 -6.366 1.00 3.87 H new ATOM 388 N ASN A 28 14.243 -6.063 -8.041 1.00 1.51 N ATOM 389 CA ASN A 28 14.085 -7.106 -7.043 1.00 1.98 C ATOM 390 C ASN A 28 13.380 -6.529 -5.814 1.00 1.52 C ATOM 391 O ASN A 28 13.705 -5.430 -5.366 1.00 2.31 O ATOM 392 CB ASN A 28 15.442 -7.654 -6.597 1.00 3.51 C ATOM 393 CG ASN A 28 15.280 -8.655 -5.451 1.00 3.86 C ATOM 394 OD1 ASN A 28 15.982 -8.615 -4.453 1.00 4.68 O ATOM 395 ND2 ASN A 28 14.318 -9.552 -5.648 1.00 3.42 N ATOM 0 H ASN A 28 13.759 -6.238 -8.922 1.00 1.51 H new ATOM 0 HA ASN A 28 13.501 -7.911 -7.488 1.00 1.98 H new ATOM 0 HB2 ASN A 28 15.938 -8.137 -7.439 1.00 3.51 H new ATOM 0 HB3 ASN A 28 16.083 -6.832 -6.279 1.00 3.51 H new ATOM 0 HD21 ASN A 28 14.131 -10.263 -4.941 1.00 3.42 H new ATOM 0 HD22 ASN A 28 13.767 -9.529 -6.506 1.00 3.42 H new ATOM 402 N LEU A 29 12.428 -7.295 -5.303 1.00 1.54 N ATOM 403 CA LEU A 29 11.675 -6.873 -4.134 1.00 2.94 C ATOM 404 C LEU A 29 12.263 -7.537 -2.886 1.00 2.44 C ATOM 405 O LEU A 29 12.803 -6.858 -2.014 1.00 3.51 O ATOM 406 CB LEU A 29 10.183 -7.147 -4.330 1.00 4.62 C ATOM 407 CG LEU A 29 9.230 -6.321 -3.465 1.00 6.42 C ATOM 408 CD1 LEU A 29 9.102 -6.917 -2.063 1.00 7.47 C ATOM 409 CD2 LEU A 29 9.658 -4.852 -3.427 1.00 7.04 C ATOM 0 H LEU A 29 12.161 -8.206 -5.677 1.00 1.54 H new ATOM 0 HA LEU A 29 11.762 -5.796 -3.994 1.00 2.94 H new ATOM 0 HB2 LEU A 29 9.936 -6.971 -5.377 1.00 4.62 H new ATOM 0 HB3 LEU A 29 9.999 -8.203 -4.132 1.00 4.62 H new ATOM 0 HG LEU A 29 8.240 -6.357 -3.920 1.00 6.42 H new ATOM 0 HD11 LEU A 29 8.418 -6.309 -1.470 1.00 7.47 H new ATOM 0 HD12 LEU A 29 8.715 -7.934 -2.134 1.00 7.47 H new ATOM 0 HD13 LEU A 29 10.081 -6.934 -1.584 1.00 7.47 H new ATOM 0 HD21 LEU A 29 8.964 -4.287 -2.805 1.00 7.04 H new ATOM 0 HD22 LEU A 29 10.662 -4.776 -3.010 1.00 7.04 H new ATOM 0 HD23 LEU A 29 9.653 -4.445 -4.438 1.00 7.04 H new ATOM 421 N VAL A 30 12.139 -8.855 -2.842 1.00 1.66 N ATOM 422 CA VAL A 30 12.651 -9.617 -1.716 1.00 1.71 C ATOM 423 C VAL A 30 11.919 -9.192 -0.442 1.00 1.76 C ATOM 424 O VAL A 30 11.899 -8.012 -0.097 1.00 2.46 O ATOM 425 CB VAL A 30 14.169 -9.449 -1.618 1.00 2.57 C ATOM 426 CG1 VAL A 30 14.623 -9.414 -0.157 1.00 2.89 C ATOM 427 CG2 VAL A 30 14.894 -10.551 -2.391 1.00 3.90 C ATOM 0 H VAL A 30 11.691 -9.415 -3.568 1.00 1.66 H new ATOM 0 HA VAL A 30 12.463 -10.681 -1.858 1.00 1.71 H new ATOM 0 HB VAL A 30 14.430 -8.494 -2.073 1.00 2.57 H new ATOM 0 HG11 VAL A 30 15.706 -9.294 -0.115 1.00 2.89 H new ATOM 0 HG12 VAL A 30 14.145 -8.577 0.353 1.00 2.89 H new ATOM 0 HG13 VAL A 30 14.342 -10.346 0.334 1.00 2.89 H new ATOM 0 HG21 VAL A 30 15.971 -10.408 -2.305 1.00 3.90 H new ATOM 0 HG22 VAL A 30 14.623 -11.523 -1.979 1.00 3.90 H new ATOM 0 HG23 VAL A 30 14.605 -10.509 -3.441 1.00 3.90 H new ATOM 437 N THR A 31 11.333 -10.178 0.222 1.00 1.98 N ATOM 438 CA THR A 31 10.600 -9.921 1.450 1.00 2.81 C ATOM 439 C THR A 31 11.539 -9.992 2.656 1.00 2.64 C ATOM 440 O THR A 31 11.391 -10.864 3.512 1.00 3.51 O ATOM 441 CB THR A 31 9.438 -10.913 1.524 1.00 3.91 C ATOM 442 OG1 THR A 31 8.650 -10.444 2.615 1.00 4.85 O ATOM 443 CG2 THR A 31 9.887 -12.309 1.963 1.00 4.19 C ATOM 0 H THR A 31 11.351 -11.156 -0.067 1.00 1.98 H new ATOM 0 HA THR A 31 10.185 -8.913 1.460 1.00 2.81 H new ATOM 0 HB THR A 31 8.953 -10.977 0.550 1.00 3.91 H new ATOM 0 HG1 THR A 31 7.873 -11.030 2.733 1.00 4.85 H new ATOM 0 HG21 THR A 31 9.024 -12.974 1.999 1.00 4.19 H new ATOM 0 HG22 THR A 31 10.615 -12.698 1.251 1.00 4.19 H new ATOM 0 HG23 THR A 31 10.342 -12.251 2.952 1.00 4.19 H new ATOM 451 N GLN A 32 12.485 -9.066 2.686 1.00 1.89 N ATOM 452 CA GLN A 32 13.448 -9.013 3.772 1.00 2.06 C ATOM 453 C GLN A 32 13.026 -7.966 4.805 1.00 1.76 C ATOM 454 O GLN A 32 13.050 -8.229 6.006 1.00 2.31 O ATOM 455 CB GLN A 32 14.855 -8.726 3.244 1.00 2.52 C ATOM 456 CG GLN A 32 15.908 -9.486 4.053 1.00 3.39 C ATOM 457 CD GLN A 32 15.948 -10.962 3.652 1.00 4.04 C ATOM 458 OE1 GLN A 32 16.524 -11.343 2.646 1.00 4.72 O ATOM 459 NE2 GLN A 32 15.308 -11.768 4.493 1.00 4.45 N ATOM 0 H GLN A 32 12.605 -8.345 1.974 1.00 1.89 H new ATOM 0 HA GLN A 32 13.470 -9.988 4.259 1.00 2.06 H new ATOM 0 HB2 GLN A 32 14.920 -9.014 2.195 1.00 2.52 H new ATOM 0 HB3 GLN A 32 15.055 -7.656 3.294 1.00 2.52 H new ATOM 0 HG2 GLN A 32 16.888 -9.036 3.895 1.00 3.39 H new ATOM 0 HG3 GLN A 32 15.686 -9.400 5.117 1.00 3.39 H new ATOM 0 HE21 GLN A 32 14.847 -11.383 5.317 1.00 4.45 H new ATOM 0 HE22 GLN A 32 15.278 -12.772 4.314 1.00 4.45 H new ATOM 468 N PHE A 33 12.650 -6.801 4.300 1.00 1.59 N ATOM 469 CA PHE A 33 12.224 -5.713 5.163 1.00 1.71 C ATOM 470 C PHE A 33 11.127 -4.881 4.496 1.00 1.35 C ATOM 471 O PHE A 33 10.881 -3.741 4.889 1.00 1.56 O ATOM 472 CB PHE A 33 13.447 -4.825 5.401 1.00 2.33 C ATOM 473 CG PHE A 33 14.406 -5.360 6.467 1.00 2.84 C ATOM 474 CD1 PHE A 33 14.140 -5.157 7.785 1.00 3.41 C ATOM 475 CD2 PHE A 33 15.524 -6.040 6.096 1.00 3.61 C ATOM 476 CE1 PHE A 33 15.030 -5.654 8.774 1.00 3.86 C ATOM 477 CE2 PHE A 33 16.414 -6.536 7.084 1.00 4.06 C ATOM 478 CZ PHE A 33 16.148 -6.332 8.403 1.00 3.82 C ATOM 0 H PHE A 33 12.631 -6.586 3.303 1.00 1.59 H new ATOM 0 HA PHE A 33 11.824 -6.113 6.095 1.00 1.71 H new ATOM 0 HB2 PHE A 33 13.990 -4.712 4.462 1.00 2.33 H new ATOM 0 HB3 PHE A 33 13.110 -3.831 5.696 1.00 2.33 H new ATOM 0 HD1 PHE A 33 13.252 -4.618 8.080 1.00 3.41 H new ATOM 0 HD2 PHE A 33 15.735 -6.203 5.049 1.00 3.61 H new ATOM 0 HE1 PHE A 33 14.818 -5.493 9.821 1.00 3.86 H new ATOM 0 HE2 PHE A 33 17.302 -7.075 6.789 1.00 4.06 H new ATOM 0 HZ PHE A 33 16.825 -6.709 9.155 1.00 3.82 H new ATOM 488 N SER A 34 10.497 -5.482 3.497 1.00 1.00 N ATOM 489 CA SER A 34 9.433 -4.810 2.771 1.00 0.79 C ATOM 490 C SER A 34 8.074 -5.187 3.368 1.00 0.76 C ATOM 491 O SER A 34 7.992 -6.062 4.228 1.00 1.19 O ATOM 492 CB SER A 34 9.475 -5.161 1.283 1.00 0.85 C ATOM 493 OG SER A 34 8.225 -4.918 0.642 1.00 1.73 O ATOM 0 H SER A 34 10.703 -6.427 3.173 1.00 1.00 H new ATOM 0 HA SER A 34 9.579 -3.734 2.867 1.00 0.79 H new ATOM 0 HB2 SER A 34 10.253 -4.575 0.794 1.00 0.85 H new ATOM 0 HB3 SER A 34 9.745 -6.210 1.165 1.00 0.85 H new ATOM 0 HG SER A 34 8.120 -3.957 0.484 1.00 1.73 H new ATOM 499 N GLY A 35 7.044 -4.508 2.885 1.00 0.60 N ATOM 500 CA GLY A 35 5.694 -4.761 3.359 1.00 0.68 C ATOM 501 C GLY A 35 4.770 -3.584 3.038 1.00 0.64 C ATOM 502 O GLY A 35 5.168 -2.652 2.343 1.00 0.88 O ATOM 0 H GLY A 35 7.117 -3.783 2.171 1.00 0.60 H new ATOM 0 HA2 GLY A 35 5.307 -5.669 2.896 1.00 0.68 H new ATOM 0 HA3 GLY A 35 5.709 -4.933 4.435 1.00 0.68 H new ATOM 506 N ALA A 36 3.555 -3.667 3.560 1.00 0.58 N ATOM 507 CA ALA A 36 2.572 -2.620 3.338 1.00 0.56 C ATOM 508 C ALA A 36 1.562 -2.624 4.487 1.00 0.58 C ATOM 509 O ALA A 36 1.403 -3.630 5.177 1.00 0.67 O ATOM 510 CB ALA A 36 1.906 -2.826 1.976 1.00 0.71 C ATOM 0 H ALA A 36 3.229 -4.443 4.136 1.00 0.58 H new ATOM 0 HA ALA A 36 3.050 -1.641 3.322 1.00 0.56 H new ATOM 0 HB1 ALA A 36 1.169 -2.041 1.809 1.00 0.71 H new ATOM 0 HB2 ALA A 36 2.662 -2.787 1.192 1.00 0.71 H new ATOM 0 HB3 ALA A 36 1.412 -3.798 1.956 1.00 0.71 H new ATOM 516 N LYS A 37 0.906 -1.486 4.658 1.00 0.53 N ATOM 517 CA LYS A 37 -0.086 -1.344 5.711 1.00 0.59 C ATOM 518 C LYS A 37 -1.087 -0.254 5.322 1.00 0.55 C ATOM 519 O LYS A 37 -0.712 0.902 5.144 1.00 0.55 O ATOM 520 CB LYS A 37 0.596 -1.099 7.059 1.00 0.67 C ATOM 521 CG LYS A 37 0.601 -2.369 7.911 1.00 0.87 C ATOM 522 CD LYS A 37 1.570 -2.238 9.087 1.00 1.45 C ATOM 523 CE LYS A 37 2.960 -2.754 8.713 1.00 2.71 C ATOM 524 NZ LYS A 37 3.185 -4.101 9.285 1.00 3.15 N ATOM 0 H LYS A 37 1.042 -0.653 4.085 1.00 0.53 H new ATOM 0 HA LYS A 37 -0.651 -2.269 5.828 1.00 0.59 H new ATOM 0 HB2 LYS A 37 1.620 -0.762 6.896 1.00 0.67 H new ATOM 0 HB3 LYS A 37 0.079 -0.301 7.592 1.00 0.67 H new ATOM 0 HG2 LYS A 37 -0.404 -2.565 8.284 1.00 0.87 H new ATOM 0 HG3 LYS A 37 0.884 -3.223 7.295 1.00 0.87 H new ATOM 0 HD2 LYS A 37 1.636 -1.194 9.393 1.00 1.45 H new ATOM 0 HD3 LYS A 37 1.188 -2.797 9.941 1.00 1.45 H new ATOM 0 HE2 LYS A 37 3.061 -2.792 7.628 1.00 2.71 H new ATOM 0 HE3 LYS A 37 3.721 -2.065 9.080 1.00 2.71 H new ATOM 0 HZ1 LYS A 37 4.134 -4.436 9.021 1.00 3.15 H new ATOM 0 HZ2 LYS A 37 3.110 -4.055 10.321 1.00 3.15 H new ATOM 0 HZ3 LYS A 37 2.470 -4.759 8.915 1.00 3.15 H new ATOM 538 N LEU A 38 -2.341 -0.665 5.200 1.00 0.53 N ATOM 539 CA LEU A 38 -3.399 0.262 4.834 1.00 0.51 C ATOM 540 C LEU A 38 -3.974 0.898 6.102 1.00 0.54 C ATOM 541 O LEU A 38 -4.313 0.197 7.054 1.00 0.62 O ATOM 542 CB LEU A 38 -4.447 -0.437 3.967 1.00 0.53 C ATOM 543 CG LEU A 38 -5.646 0.416 3.546 1.00 0.52 C ATOM 544 CD1 LEU A 38 -5.210 1.840 3.197 1.00 0.54 C ATOM 545 CD2 LEU A 38 -6.414 -0.246 2.399 1.00 0.69 C ATOM 0 H LEU A 38 -2.648 -1.626 5.348 1.00 0.53 H new ATOM 0 HA LEU A 38 -3.002 1.072 4.222 1.00 0.51 H new ATOM 0 HB2 LEU A 38 -3.956 -0.808 3.067 1.00 0.53 H new ATOM 0 HB3 LEU A 38 -4.818 -1.307 4.510 1.00 0.53 H new ATOM 0 HG LEU A 38 -6.329 0.487 4.392 1.00 0.52 H new ATOM 0 HD11 LEU A 38 -6.081 2.425 2.901 1.00 0.54 H new ATOM 0 HD12 LEU A 38 -4.742 2.301 4.067 1.00 0.54 H new ATOM 0 HD13 LEU A 38 -4.496 1.811 2.374 1.00 0.54 H new ATOM 0 HD21 LEU A 38 -7.261 0.380 2.119 1.00 0.69 H new ATOM 0 HD22 LEU A 38 -5.753 -0.367 1.541 1.00 0.69 H new ATOM 0 HD23 LEU A 38 -6.776 -1.223 2.719 1.00 0.69 H new ATOM 557 N VAL A 39 -4.066 2.220 6.072 1.00 0.51 N ATOM 558 CA VAL A 39 -4.595 2.958 7.206 1.00 0.57 C ATOM 559 C VAL A 39 -5.785 3.803 6.749 1.00 0.50 C ATOM 560 O VAL A 39 -5.701 4.510 5.745 1.00 0.52 O ATOM 561 CB VAL A 39 -3.485 3.790 7.853 1.00 0.69 C ATOM 562 CG1 VAL A 39 -2.279 2.915 8.204 1.00 0.76 C ATOM 563 CG2 VAL A 39 -3.072 4.952 6.947 1.00 0.73 C ATOM 0 H VAL A 39 -3.783 2.798 5.281 1.00 0.51 H new ATOM 0 HA VAL A 39 -4.958 2.272 7.972 1.00 0.57 H new ATOM 0 HB VAL A 39 -3.877 4.210 8.779 1.00 0.69 H new ATOM 0 HG11 VAL A 39 -1.504 3.530 8.662 1.00 0.76 H new ATOM 0 HG12 VAL A 39 -2.585 2.137 8.903 1.00 0.76 H new ATOM 0 HG13 VAL A 39 -1.887 2.454 7.297 1.00 0.76 H new ATOM 0 HG21 VAL A 39 -2.282 5.527 7.430 1.00 0.73 H new ATOM 0 HG22 VAL A 39 -2.707 4.561 5.997 1.00 0.73 H new ATOM 0 HG23 VAL A 39 -3.932 5.597 6.767 1.00 0.73 H new ATOM 573 N MET A 40 -6.867 3.704 7.507 1.00 0.48 N ATOM 574 CA MET A 40 -8.074 4.450 7.193 1.00 0.47 C ATOM 575 C MET A 40 -8.052 5.830 7.853 1.00 0.54 C ATOM 576 O MET A 40 -8.426 5.971 9.017 1.00 0.59 O ATOM 577 CB MET A 40 -9.297 3.670 7.678 1.00 0.47 C ATOM 578 CG MET A 40 -10.559 4.533 7.608 1.00 0.54 C ATOM 579 SD MET A 40 -11.121 4.926 9.255 1.00 1.09 S ATOM 580 CE MET A 40 -12.175 3.520 9.568 1.00 2.18 C ATOM 0 H MET A 40 -6.933 3.118 8.339 1.00 0.48 H new ATOM 0 HA MET A 40 -8.125 4.586 6.113 1.00 0.47 H new ATOM 0 HB2 MET A 40 -9.429 2.776 7.068 1.00 0.47 H new ATOM 0 HB3 MET A 40 -9.137 3.336 8.703 1.00 0.47 H new ATOM 0 HG2 MET A 40 -10.352 5.450 7.057 1.00 0.54 H new ATOM 0 HG3 MET A 40 -11.342 4.004 7.064 1.00 0.54 H new ATOM 0 HE1 MET A 40 -12.611 3.607 10.563 1.00 2.18 H new ATOM 0 HE2 MET A 40 -12.971 3.489 8.824 1.00 2.18 H new ATOM 0 HE3 MET A 40 -11.587 2.604 9.508 1.00 2.18 H new ATOM 590 N THR A 41 -7.611 6.813 7.083 1.00 0.59 N ATOM 591 CA THR A 41 -7.536 8.177 7.579 1.00 0.70 C ATOM 592 C THR A 41 -8.643 9.032 6.957 1.00 0.77 C ATOM 593 O THR A 41 -8.363 10.022 6.284 1.00 0.93 O ATOM 594 CB THR A 41 -6.129 8.706 7.296 1.00 0.87 C ATOM 595 OG1 THR A 41 -6.072 9.938 8.009 1.00 0.83 O ATOM 596 CG2 THR A 41 -5.939 9.113 5.833 1.00 1.14 C ATOM 0 H THR A 41 -7.302 6.692 6.119 1.00 0.59 H new ATOM 0 HA THR A 41 -7.703 8.216 8.655 1.00 0.70 H new ATOM 0 HB THR A 41 -5.395 7.944 7.559 1.00 0.87 H new ATOM 0 HG1 THR A 41 -5.192 10.349 7.882 1.00 0.83 H new ATOM 0 HG21 THR A 41 -4.924 9.481 5.687 1.00 1.14 H new ATOM 0 HG22 THR A 41 -6.108 8.249 5.190 1.00 1.14 H new ATOM 0 HG23 THR A 41 -6.650 9.899 5.579 1.00 1.14 H new ATOM 604 N ALA A 42 -9.877 8.617 7.206 1.00 0.72 N ATOM 605 CA ALA A 42 -11.027 9.332 6.679 1.00 0.86 C ATOM 606 C ALA A 42 -11.091 10.723 7.313 1.00 1.10 C ATOM 607 O ALA A 42 -11.101 11.730 6.607 1.00 2.07 O ATOM 608 CB ALA A 42 -12.296 8.516 6.934 1.00 0.99 C ATOM 0 H ALA A 42 -10.105 7.795 7.765 1.00 0.72 H new ATOM 0 HA ALA A 42 -10.936 9.465 5.601 1.00 0.86 H new ATOM 0 HB1 ALA A 42 -13.159 9.052 6.539 1.00 0.99 H new ATOM 0 HB2 ALA A 42 -12.212 7.548 6.439 1.00 0.99 H new ATOM 0 HB3 ALA A 42 -12.422 8.365 8.006 1.00 0.99 H new ATOM 614 N MET A 43 -11.133 10.733 8.637 1.00 1.63 N ATOM 615 CA MET A 43 -11.196 11.984 9.374 1.00 1.97 C ATOM 616 C MET A 43 -10.259 11.956 10.583 1.00 2.00 C ATOM 617 O MET A 43 -10.109 10.923 11.233 1.00 2.07 O ATOM 618 CB MET A 43 -12.630 12.227 9.845 1.00 2.46 C ATOM 619 CG MET A 43 -13.125 13.607 9.405 1.00 2.72 C ATOM 620 SD MET A 43 -14.417 13.432 8.185 1.00 3.28 S ATOM 621 CE MET A 43 -15.708 12.731 9.199 1.00 5.25 C ATOM 0 H MET A 43 -11.125 9.895 9.219 1.00 1.63 H new ATOM 0 HA MET A 43 -10.880 12.790 8.712 1.00 1.97 H new ATOM 0 HB2 MET A 43 -13.285 11.456 9.440 1.00 2.46 H new ATOM 0 HB3 MET A 43 -12.678 12.149 10.931 1.00 2.46 H new ATOM 0 HG2 MET A 43 -13.500 14.160 10.267 1.00 2.72 H new ATOM 0 HG3 MET A 43 -12.298 14.184 8.991 1.00 2.72 H new ATOM 0 HE1 MET A 43 -16.679 12.959 8.760 1.00 5.25 H new ATOM 0 HE2 MET A 43 -15.580 11.650 9.255 1.00 5.25 H new ATOM 0 HE3 MET A 43 -15.654 13.155 10.202 1.00 5.25 H new ATOM 631 N PRO A 44 -9.637 13.134 10.855 1.00 2.27 N ATOM 632 CA PRO A 44 -8.718 13.254 11.974 1.00 2.45 C ATOM 633 C PRO A 44 -9.476 13.309 13.303 1.00 3.10 C ATOM 634 O PRO A 44 -10.070 14.332 13.641 1.00 3.70 O ATOM 635 CB PRO A 44 -7.919 14.517 11.694 1.00 2.80 C ATOM 636 CG PRO A 44 -8.728 15.306 10.678 1.00 3.10 C ATOM 637 CD PRO A 44 -9.790 14.378 10.107 1.00 2.70 C ATOM 0 HA PRO A 44 -8.057 12.393 12.069 1.00 2.45 H new ATOM 0 HB2 PRO A 44 -7.769 15.094 12.606 1.00 2.80 H new ATOM 0 HB3 PRO A 44 -6.931 14.275 11.303 1.00 2.80 H new ATOM 0 HG2 PRO A 44 -9.191 16.173 11.149 1.00 3.10 H new ATOM 0 HG3 PRO A 44 -8.082 15.682 9.884 1.00 3.10 H new ATOM 0 HD2 PRO A 44 -10.789 14.795 10.233 1.00 2.70 H new ATOM 0 HD3 PRO A 44 -9.643 14.218 9.039 1.00 2.70 H new ATOM 645 N GLY A 45 -9.431 12.195 14.019 1.00 3.36 N ATOM 646 CA GLY A 45 -10.106 12.103 15.301 1.00 4.15 C ATOM 647 C GLY A 45 -9.480 13.056 16.320 1.00 3.35 C ATOM 648 O GLY A 45 -10.149 13.955 16.828 1.00 3.26 O ATOM 0 H GLY A 45 -8.937 11.349 13.735 1.00 3.36 H new ATOM 0 HA2 GLY A 45 -11.163 12.340 15.177 1.00 4.15 H new ATOM 0 HA3 GLY A 45 -10.050 11.080 15.673 1.00 4.15 H new ATOM 652 N MET A 46 -8.203 12.829 16.590 1.00 3.21 N ATOM 653 CA MET A 46 -7.480 13.657 17.539 1.00 3.15 C ATOM 654 C MET A 46 -6.050 13.922 17.058 1.00 3.01 C ATOM 655 O MET A 46 -5.147 13.129 17.321 1.00 3.66 O ATOM 656 CB MET A 46 -7.439 12.957 18.899 1.00 4.32 C ATOM 657 CG MET A 46 -8.562 13.462 19.808 1.00 4.79 C ATOM 658 SD MET A 46 -7.971 14.811 20.817 1.00 5.48 S ATOM 659 CE MET A 46 -9.129 16.084 20.340 1.00 5.07 C ATOM 0 H MET A 46 -7.650 12.083 16.168 1.00 3.21 H new ATOM 0 HA MET A 46 -7.997 14.613 17.627 1.00 3.15 H new ATOM 0 HB2 MET A 46 -7.534 11.880 18.761 1.00 4.32 H new ATOM 0 HB3 MET A 46 -6.474 13.133 19.374 1.00 4.32 H new ATOM 0 HG2 MET A 46 -9.408 13.791 19.205 1.00 4.79 H new ATOM 0 HG3 MET A 46 -8.919 12.651 20.443 1.00 4.79 H new ATOM 0 HE1 MET A 46 -8.903 17.003 20.881 1.00 5.07 H new ATOM 0 HE2 MET A 46 -9.050 16.265 19.268 1.00 5.07 H new ATOM 0 HE3 MET A 46 -10.142 15.762 20.580 1.00 5.07 H new ATOM 669 N GLU A 47 -5.892 15.038 16.363 1.00 2.55 N ATOM 670 CA GLU A 47 -4.589 15.416 15.842 1.00 2.98 C ATOM 671 C GLU A 47 -4.019 14.295 14.972 1.00 2.97 C ATOM 672 O GLU A 47 -3.098 13.591 15.384 1.00 3.54 O ATOM 673 CB GLU A 47 -3.628 15.771 16.979 1.00 3.87 C ATOM 674 CG GLU A 47 -2.873 17.066 16.673 1.00 4.48 C ATOM 675 CD GLU A 47 -1.415 16.778 16.305 1.00 5.65 C ATOM 676 OE1 GLU A 47 -0.886 15.714 16.657 1.00 6.05 O ATOM 677 OE2 GLU A 47 -0.830 17.706 15.627 1.00 6.60 O ATOM 0 H GLU A 47 -6.644 15.693 16.148 1.00 2.55 H new ATOM 0 HA GLU A 47 -4.710 16.304 15.221 1.00 2.98 H new ATOM 0 HB2 GLU A 47 -4.185 15.881 17.910 1.00 3.87 H new ATOM 0 HB3 GLU A 47 -2.918 14.958 17.127 1.00 3.87 H new ATOM 0 HG2 GLU A 47 -3.362 17.591 15.852 1.00 4.48 H new ATOM 0 HG3 GLU A 47 -2.909 17.726 17.540 1.00 4.48 H new ATOM 684 N HIS A 48 -4.589 14.164 13.783 1.00 2.48 N ATOM 685 CA HIS A 48 -4.148 13.140 12.851 1.00 2.49 C ATOM 686 C HIS A 48 -3.956 11.817 13.595 1.00 2.05 C ATOM 687 O HIS A 48 -2.846 11.493 14.014 1.00 2.34 O ATOM 688 CB HIS A 48 -2.891 13.589 12.105 1.00 3.16 C ATOM 689 CG HIS A 48 -1.805 14.131 13.003 1.00 4.12 C ATOM 690 ND1 HIS A 48 -0.866 13.321 13.618 1.00 5.02 N ATOM 691 CD2 HIS A 48 -1.516 15.410 13.382 1.00 5.45 C ATOM 692 CE1 HIS A 48 -0.056 14.087 14.333 1.00 6.42 C ATOM 693 NE2 HIS A 48 -0.461 15.381 14.187 1.00 6.62 N ATOM 0 H HIS A 48 -5.352 14.750 13.444 1.00 2.48 H new ATOM 0 HA HIS A 48 -4.913 12.981 12.091 1.00 2.49 H new ATOM 0 HB2 HIS A 48 -2.494 12.745 11.541 1.00 3.16 H new ATOM 0 HB3 HIS A 48 -3.165 14.356 11.380 1.00 3.16 H new ATOM 0 HD2 HIS A 48 -2.054 16.296 13.078 1.00 5.45 H new ATOM 0 HE1 HIS A 48 0.779 13.747 14.927 1.00 6.42 H new ATOM 0 HE2 HIS A 48 -0.025 16.193 14.624 1.00 6.62 H new ATOM 701 N SER A 49 -5.054 11.088 13.735 1.00 1.61 N ATOM 702 CA SER A 49 -5.019 9.808 14.421 1.00 1.44 C ATOM 703 C SER A 49 -5.818 8.770 13.630 1.00 1.23 C ATOM 704 O SER A 49 -6.940 8.429 14.002 1.00 1.52 O ATOM 705 CB SER A 49 -5.571 9.930 15.843 1.00 1.79 C ATOM 706 OG SER A 49 -4.700 9.339 16.805 1.00 2.43 O ATOM 0 H SER A 49 -5.973 11.360 13.385 1.00 1.61 H new ATOM 0 HA SER A 49 -3.980 9.484 14.490 1.00 1.44 H new ATOM 0 HB2 SER A 49 -5.719 10.982 16.086 1.00 1.79 H new ATOM 0 HB3 SER A 49 -6.548 9.450 15.895 1.00 1.79 H new ATOM 0 HG SER A 49 -5.086 9.439 17.700 1.00 2.43 H new ATOM 712 N PRO A 50 -5.191 8.282 12.526 1.00 1.15 N ATOM 713 CA PRO A 50 -5.831 7.289 11.679 1.00 1.34 C ATOM 714 C PRO A 50 -5.812 5.910 12.342 1.00 1.13 C ATOM 715 O PRO A 50 -5.148 5.715 13.359 1.00 1.26 O ATOM 716 CB PRO A 50 -5.058 7.331 10.372 1.00 1.77 C ATOM 717 CG PRO A 50 -3.734 8.005 10.691 1.00 1.81 C ATOM 718 CD PRO A 50 -3.862 8.662 12.055 1.00 1.42 C ATOM 0 HA PRO A 50 -6.887 7.498 11.508 1.00 1.34 H new ATOM 0 HB2 PRO A 50 -4.900 6.326 9.979 1.00 1.77 H new ATOM 0 HB3 PRO A 50 -5.606 7.888 9.612 1.00 1.77 H new ATOM 0 HG2 PRO A 50 -2.925 7.275 10.694 1.00 1.81 H new ATOM 0 HG3 PRO A 50 -3.491 8.748 9.931 1.00 1.81 H new ATOM 0 HD2 PRO A 50 -3.086 8.314 12.737 1.00 1.42 H new ATOM 0 HD3 PRO A 50 -3.762 9.745 11.984 1.00 1.42 H new ATOM 726 N MET A 51 -6.547 4.989 11.738 1.00 0.95 N ATOM 727 CA MET A 51 -6.623 3.633 12.257 1.00 0.86 C ATOM 728 C MET A 51 -6.160 2.619 11.209 1.00 0.81 C ATOM 729 O MET A 51 -6.598 2.662 10.061 1.00 0.91 O ATOM 730 CB MET A 51 -8.064 3.323 12.666 1.00 0.93 C ATOM 731 CG MET A 51 -8.304 3.670 14.136 1.00 1.26 C ATOM 732 SD MET A 51 -9.653 2.695 14.782 1.00 2.03 S ATOM 733 CE MET A 51 -10.781 3.998 15.247 1.00 2.48 C ATOM 0 H MET A 51 -7.096 5.154 10.894 1.00 0.95 H new ATOM 0 HA MET A 51 -5.966 3.558 13.124 1.00 0.86 H new ATOM 0 HB2 MET A 51 -8.753 3.888 12.038 1.00 0.93 H new ATOM 0 HB3 MET A 51 -8.274 2.266 12.499 1.00 0.93 H new ATOM 0 HG2 MET A 51 -7.399 3.483 14.715 1.00 1.26 H new ATOM 0 HG3 MET A 51 -8.532 4.731 14.235 1.00 1.26 H new ATOM 0 HE1 MET A 51 -11.685 3.562 15.672 1.00 2.48 H new ATOM 0 HE2 MET A 51 -10.307 4.643 15.987 1.00 2.48 H new ATOM 0 HE3 MET A 51 -11.041 4.586 14.367 1.00 2.48 H new ATOM 743 N ALA A 52 -5.279 1.729 11.642 1.00 0.78 N ATOM 744 CA ALA A 52 -4.752 0.705 10.756 1.00 0.77 C ATOM 745 C ALA A 52 -5.856 -0.302 10.434 1.00 0.71 C ATOM 746 O ALA A 52 -6.695 -0.603 11.282 1.00 0.73 O ATOM 747 CB ALA A 52 -3.533 0.046 11.406 1.00 0.88 C ATOM 0 H ALA A 52 -4.917 1.696 12.595 1.00 0.78 H new ATOM 0 HA ALA A 52 -4.422 1.145 9.815 1.00 0.77 H new ATOM 0 HB1 ALA A 52 -3.137 -0.722 10.742 1.00 0.88 H new ATOM 0 HB2 ALA A 52 -2.766 0.799 11.588 1.00 0.88 H new ATOM 0 HB3 ALA A 52 -3.826 -0.409 12.352 1.00 0.88 H new ATOM 753 N VAL A 53 -5.822 -0.798 9.204 1.00 0.68 N ATOM 754 CA VAL A 53 -6.810 -1.765 8.760 1.00 0.66 C ATOM 755 C VAL A 53 -6.117 -3.098 8.468 1.00 0.72 C ATOM 756 O VAL A 53 -4.938 -3.125 8.117 1.00 0.92 O ATOM 757 CB VAL A 53 -7.575 -1.214 7.555 1.00 0.70 C ATOM 758 CG1 VAL A 53 -6.848 -1.536 6.248 1.00 0.69 C ATOM 759 CG2 VAL A 53 -9.010 -1.745 7.528 1.00 0.85 C ATOM 0 H VAL A 53 -5.125 -0.547 8.502 1.00 0.68 H new ATOM 0 HA VAL A 53 -7.547 -1.946 9.543 1.00 0.66 H new ATOM 0 HB VAL A 53 -7.619 -0.129 7.655 1.00 0.70 H new ATOM 0 HG11 VAL A 53 -7.414 -1.133 5.408 1.00 0.69 H new ATOM 0 HG12 VAL A 53 -5.854 -1.088 6.265 1.00 0.69 H new ATOM 0 HG13 VAL A 53 -6.757 -2.617 6.139 1.00 0.69 H new ATOM 0 HG21 VAL A 53 -9.532 -1.338 6.662 1.00 0.85 H new ATOM 0 HG22 VAL A 53 -8.994 -2.833 7.464 1.00 0.85 H new ATOM 0 HG23 VAL A 53 -9.527 -1.442 8.439 1.00 0.85 H new ATOM 769 N LYS A 54 -6.879 -4.170 8.626 1.00 0.71 N ATOM 770 CA LYS A 54 -6.353 -5.503 8.384 1.00 0.83 C ATOM 771 C LYS A 54 -6.277 -5.752 6.876 1.00 0.79 C ATOM 772 O LYS A 54 -7.245 -5.515 6.155 1.00 1.14 O ATOM 773 CB LYS A 54 -7.177 -6.549 9.139 1.00 0.98 C ATOM 774 CG LYS A 54 -8.514 -6.804 8.439 1.00 1.97 C ATOM 775 CD LYS A 54 -9.623 -7.073 9.458 1.00 2.16 C ATOM 776 CE LYS A 54 -9.687 -8.558 9.819 1.00 2.98 C ATOM 777 NZ LYS A 54 -10.186 -8.735 11.201 1.00 3.04 N ATOM 0 H LYS A 54 -7.856 -4.143 8.918 1.00 0.71 H new ATOM 0 HA LYS A 54 -5.338 -5.588 8.773 1.00 0.83 H new ATOM 0 HB2 LYS A 54 -6.615 -7.480 9.207 1.00 0.98 H new ATOM 0 HB3 LYS A 54 -7.356 -6.209 10.159 1.00 0.98 H new ATOM 0 HG2 LYS A 54 -8.779 -5.942 7.827 1.00 1.97 H new ATOM 0 HG3 LYS A 54 -8.419 -7.656 7.765 1.00 1.97 H new ATOM 0 HD2 LYS A 54 -9.446 -6.484 10.358 1.00 2.16 H new ATOM 0 HD3 LYS A 54 -10.582 -6.752 9.051 1.00 2.16 H new ATOM 0 HE2 LYS A 54 -10.341 -9.080 9.120 1.00 2.98 H new ATOM 0 HE3 LYS A 54 -8.697 -9.004 9.724 1.00 2.98 H new ATOM 0 HZ1 LYS A 54 -10.223 -9.749 11.430 1.00 3.04 H new ATOM 0 HZ2 LYS A 54 -9.547 -8.254 11.865 1.00 3.04 H new ATOM 0 HZ3 LYS A 54 -11.139 -8.327 11.281 1.00 3.04 H new ATOM 791 N ALA A 55 -5.118 -6.226 6.445 1.00 0.66 N ATOM 792 CA ALA A 55 -4.903 -6.509 5.036 1.00 0.58 C ATOM 793 C ALA A 55 -3.833 -7.594 4.896 1.00 0.55 C ATOM 794 O ALA A 55 -3.236 -8.013 5.885 1.00 0.62 O ATOM 795 CB ALA A 55 -4.524 -5.218 4.307 1.00 0.63 C ATOM 0 H ALA A 55 -4.318 -6.421 7.046 1.00 0.66 H new ATOM 0 HA ALA A 55 -5.817 -6.886 4.576 1.00 0.58 H new ATOM 0 HB1 ALA A 55 -4.363 -5.431 3.250 1.00 0.63 H new ATOM 0 HB2 ALA A 55 -5.329 -4.491 4.412 1.00 0.63 H new ATOM 0 HB3 ALA A 55 -3.610 -4.811 4.739 1.00 0.63 H new ATOM 801 N ALA A 56 -3.623 -8.016 3.657 1.00 0.50 N ATOM 802 CA ALA A 56 -2.635 -9.044 3.375 1.00 0.54 C ATOM 803 C ALA A 56 -1.881 -8.681 2.094 1.00 0.48 C ATOM 804 O ALA A 56 -2.463 -8.126 1.163 1.00 0.45 O ATOM 805 CB ALA A 56 -3.327 -10.405 3.279 1.00 0.65 C ATOM 0 H ALA A 56 -4.120 -7.665 2.838 1.00 0.50 H new ATOM 0 HA ALA A 56 -1.905 -9.107 4.182 1.00 0.54 H new ATOM 0 HB1 ALA A 56 -2.586 -11.176 3.067 1.00 0.65 H new ATOM 0 HB2 ALA A 56 -3.823 -10.628 4.223 1.00 0.65 H new ATOM 0 HB3 ALA A 56 -4.065 -10.382 2.478 1.00 0.65 H new ATOM 811 N VAL A 57 -0.598 -9.010 2.086 1.00 0.55 N ATOM 812 CA VAL A 57 0.242 -8.726 0.935 1.00 0.51 C ATOM 813 C VAL A 57 0.634 -10.041 0.258 1.00 0.55 C ATOM 814 O VAL A 57 1.167 -10.942 0.905 1.00 0.61 O ATOM 815 CB VAL A 57 1.450 -7.890 1.362 1.00 0.55 C ATOM 816 CG1 VAL A 57 1.015 -6.682 2.193 1.00 1.64 C ATOM 817 CG2 VAL A 57 2.466 -8.744 2.125 1.00 1.85 C ATOM 0 H VAL A 57 -0.119 -9.471 2.859 1.00 0.55 H new ATOM 0 HA VAL A 57 -0.304 -8.133 0.201 1.00 0.51 H new ATOM 0 HB VAL A 57 1.936 -7.518 0.460 1.00 0.55 H new ATOM 0 HG11 VAL A 57 1.893 -6.105 2.483 1.00 1.64 H new ATOM 0 HG12 VAL A 57 0.348 -6.055 1.602 1.00 1.64 H new ATOM 0 HG13 VAL A 57 0.494 -7.024 3.087 1.00 1.64 H new ATOM 0 HG21 VAL A 57 3.315 -8.126 2.417 1.00 1.85 H new ATOM 0 HG22 VAL A 57 1.996 -9.159 3.016 1.00 1.85 H new ATOM 0 HG23 VAL A 57 2.812 -9.556 1.486 1.00 1.85 H new ATOM 827 N SER A 58 0.353 -10.111 -1.034 1.00 0.54 N ATOM 828 CA SER A 58 0.670 -11.301 -1.806 1.00 0.61 C ATOM 829 C SER A 58 1.518 -10.926 -3.022 1.00 0.63 C ATOM 830 O SER A 58 1.753 -9.747 -3.280 1.00 1.11 O ATOM 831 CB SER A 58 -0.603 -12.024 -2.249 1.00 0.79 C ATOM 832 OG SER A 58 -1.224 -12.721 -1.172 1.00 1.12 O ATOM 0 H SER A 58 -0.091 -9.363 -1.567 1.00 0.54 H new ATOM 0 HA SER A 58 1.239 -11.980 -1.171 1.00 0.61 H new ATOM 0 HB2 SER A 58 -1.304 -11.301 -2.665 1.00 0.79 H new ATOM 0 HB3 SER A 58 -0.361 -12.728 -3.045 1.00 0.79 H new ATOM 0 HG SER A 58 -2.034 -13.168 -1.495 1.00 1.12 H new ATOM 838 N GLY A 59 1.955 -11.952 -3.737 1.00 0.72 N ATOM 839 CA GLY A 59 2.773 -11.745 -4.921 1.00 0.68 C ATOM 840 C GLY A 59 2.234 -12.546 -6.107 1.00 0.85 C ATOM 841 O GLY A 59 1.580 -13.572 -5.923 1.00 1.05 O ATOM 0 H GLY A 59 1.758 -12.929 -3.520 1.00 0.72 H new ATOM 0 HA2 GLY A 59 2.793 -10.685 -5.173 1.00 0.68 H new ATOM 0 HA3 GLY A 59 3.801 -12.043 -4.714 1.00 0.68 H new ATOM 845 N GLY A 60 2.526 -12.047 -7.299 1.00 0.86 N ATOM 846 CA GLY A 60 2.077 -12.702 -8.516 1.00 1.10 C ATOM 847 C GLY A 60 3.041 -13.820 -8.923 1.00 1.19 C ATOM 848 O GLY A 60 3.545 -13.831 -10.045 1.00 2.20 O ATOM 0 H GLY A 60 3.068 -11.196 -7.448 1.00 0.86 H new ATOM 0 HA2 GLY A 60 1.079 -13.114 -8.365 1.00 1.10 H new ATOM 0 HA3 GLY A 60 2.002 -11.971 -9.321 1.00 1.10 H new ATOM 852 N GLY A 61 3.265 -14.732 -7.989 1.00 2.10 N ATOM 853 CA GLY A 61 4.159 -15.851 -8.236 1.00 2.42 C ATOM 854 C GLY A 61 5.623 -15.420 -8.125 1.00 2.21 C ATOM 855 O GLY A 61 6.391 -16.009 -7.368 1.00 2.85 O ATOM 0 H GLY A 61 2.843 -14.719 -7.060 1.00 2.10 H new ATOM 0 HA2 GLY A 61 3.956 -16.648 -7.521 1.00 2.42 H new ATOM 0 HA3 GLY A 61 3.971 -16.259 -9.229 1.00 2.42 H new ATOM 859 N ASP A 62 5.963 -14.394 -8.891 1.00 1.58 N ATOM 860 CA ASP A 62 7.321 -13.875 -8.888 1.00 1.33 C ATOM 861 C ASP A 62 7.495 -12.920 -7.705 1.00 1.11 C ATOM 862 O ASP A 62 6.556 -12.228 -7.317 1.00 1.00 O ATOM 863 CB ASP A 62 7.617 -13.097 -10.171 1.00 1.26 C ATOM 864 CG ASP A 62 7.567 -13.926 -11.456 1.00 1.68 C ATOM 865 OD1 ASP A 62 8.381 -14.839 -11.659 1.00 2.82 O ATOM 866 OD2 ASP A 62 6.630 -13.598 -12.280 1.00 2.26 O ATOM 0 H ASP A 62 5.322 -13.908 -9.518 1.00 1.58 H new ATOM 0 HA ASP A 62 8.004 -14.721 -8.814 1.00 1.33 H new ATOM 0 HB2 ASP A 62 6.901 -12.280 -10.256 1.00 1.26 H new ATOM 0 HB3 ASP A 62 8.606 -12.647 -10.085 1.00 1.26 H new ATOM 871 N PRO A 63 8.737 -12.913 -7.150 1.00 1.13 N ATOM 872 CA PRO A 63 9.047 -12.055 -6.020 1.00 1.08 C ATOM 873 C PRO A 63 9.199 -10.599 -6.463 1.00 0.92 C ATOM 874 O PRO A 63 9.450 -9.719 -5.641 1.00 1.04 O ATOM 875 CB PRO A 63 10.322 -12.631 -5.426 1.00 1.29 C ATOM 876 CG PRO A 63 10.932 -13.501 -6.513 1.00 1.36 C ATOM 877 CD PRO A 63 9.875 -13.720 -7.583 1.00 1.30 C ATOM 0 HA PRO A 63 8.251 -12.035 -5.276 1.00 1.08 H new ATOM 0 HB2 PRO A 63 11.008 -11.838 -5.130 1.00 1.29 H new ATOM 0 HB3 PRO A 63 10.107 -13.216 -4.532 1.00 1.29 H new ATOM 0 HG2 PRO A 63 11.812 -13.019 -6.939 1.00 1.36 H new ATOM 0 HG3 PRO A 63 11.260 -14.455 -6.099 1.00 1.36 H new ATOM 0 HD2 PRO A 63 10.233 -13.406 -8.563 1.00 1.30 H new ATOM 0 HD3 PRO A 63 9.606 -14.773 -7.664 1.00 1.30 H new ATOM 885 N LYS A 64 9.041 -10.389 -7.762 1.00 0.81 N ATOM 886 CA LYS A 64 9.157 -9.054 -8.324 1.00 0.81 C ATOM 887 C LYS A 64 7.766 -8.423 -8.422 1.00 0.77 C ATOM 888 O LYS A 64 7.632 -7.200 -8.391 1.00 0.83 O ATOM 889 CB LYS A 64 9.907 -9.098 -9.657 1.00 0.92 C ATOM 890 CG LYS A 64 8.981 -9.535 -10.793 1.00 0.93 C ATOM 891 CD LYS A 64 9.767 -9.748 -12.089 1.00 1.40 C ATOM 892 CE LYS A 64 10.564 -11.052 -12.038 1.00 2.69 C ATOM 893 NZ LYS A 64 11.204 -11.320 -13.346 1.00 3.41 N ATOM 0 H LYS A 64 8.834 -11.121 -8.441 1.00 0.81 H new ATOM 0 HA LYS A 64 9.751 -8.416 -7.670 1.00 0.81 H new ATOM 0 HB2 LYS A 64 10.320 -8.114 -9.878 1.00 0.92 H new ATOM 0 HB3 LYS A 64 10.748 -9.788 -9.583 1.00 0.92 H new ATOM 0 HG2 LYS A 64 8.471 -10.458 -10.517 1.00 0.93 H new ATOM 0 HG3 LYS A 64 8.211 -8.780 -10.950 1.00 0.93 H new ATOM 0 HD2 LYS A 64 9.081 -9.770 -12.935 1.00 1.40 H new ATOM 0 HD3 LYS A 64 10.445 -8.909 -12.250 1.00 1.40 H new ATOM 0 HE2 LYS A 64 11.325 -10.990 -11.260 1.00 2.69 H new ATOM 0 HE3 LYS A 64 9.904 -11.878 -11.773 1.00 2.69 H new ATOM 0 HZ1 LYS A 64 11.741 -12.209 -13.294 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 10.472 -11.400 -14.081 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 11.849 -10.539 -13.583 1.00 3.41 H new ATOM 907 N THR A 65 6.767 -9.286 -8.536 1.00 0.77 N ATOM 908 CA THR A 65 5.392 -8.828 -8.637 1.00 0.80 C ATOM 909 C THR A 65 4.695 -8.926 -7.280 1.00 0.69 C ATOM 910 O THR A 65 4.714 -9.978 -6.643 1.00 0.71 O ATOM 911 CB THR A 65 4.703 -9.642 -9.734 1.00 0.97 C ATOM 912 OG1 THR A 65 5.099 -9.001 -10.944 1.00 1.08 O ATOM 913 CG2 THR A 65 3.181 -9.486 -9.711 1.00 1.10 C ATOM 0 H THR A 65 6.882 -10.299 -8.561 1.00 0.77 H new ATOM 0 HA THR A 65 5.346 -7.775 -8.915 1.00 0.80 H new ATOM 0 HB THR A 65 4.962 -10.695 -9.621 1.00 0.97 H new ATOM 0 HG1 THR A 65 4.697 -9.466 -11.707 1.00 1.08 H new ATOM 0 HG21 THR A 65 2.742 -10.084 -10.509 1.00 1.10 H new ATOM 0 HG22 THR A 65 2.795 -9.825 -8.750 1.00 1.10 H new ATOM 0 HG23 THR A 65 2.920 -8.438 -9.858 1.00 1.10 H new ATOM 921 N MET A 66 4.096 -7.816 -6.877 1.00 0.71 N ATOM 922 CA MET A 66 3.394 -7.763 -5.605 1.00 0.62 C ATOM 923 C MET A 66 1.958 -7.266 -5.791 1.00 0.52 C ATOM 924 O MET A 66 1.662 -6.561 -6.754 1.00 0.58 O ATOM 925 CB MET A 66 4.138 -6.827 -4.649 1.00 0.69 C ATOM 926 CG MET A 66 4.802 -7.615 -3.518 1.00 0.82 C ATOM 927 SD MET A 66 5.751 -8.968 -4.192 1.00 1.84 S ATOM 928 CE MET A 66 6.947 -8.058 -5.155 1.00 1.05 C ATOM 0 H MET A 66 4.082 -6.946 -7.408 1.00 0.71 H new ATOM 0 HA MET A 66 3.359 -8.770 -5.189 1.00 0.62 H new ATOM 0 HB2 MET A 66 4.894 -6.266 -5.198 1.00 0.69 H new ATOM 0 HB3 MET A 66 3.442 -6.100 -4.231 1.00 0.69 H new ATOM 0 HG2 MET A 66 5.451 -6.958 -2.938 1.00 0.82 H new ATOM 0 HG3 MET A 66 4.043 -7.997 -2.835 1.00 0.82 H new ATOM 0 HE1 MET A 66 6.876 -8.358 -6.201 1.00 1.05 H new ATOM 0 HE2 MET A 66 6.747 -6.990 -5.069 1.00 1.05 H new ATOM 0 HE3 MET A 66 7.950 -8.270 -4.784 1.00 1.05 H new ATOM 938 N VAL A 67 1.106 -7.655 -4.854 1.00 0.44 N ATOM 939 CA VAL A 67 -0.291 -7.258 -4.903 1.00 0.40 C ATOM 940 C VAL A 67 -0.867 -7.262 -3.486 1.00 0.42 C ATOM 941 O VAL A 67 -0.851 -8.288 -2.807 1.00 0.48 O ATOM 942 CB VAL A 67 -1.060 -8.168 -5.863 1.00 0.42 C ATOM 943 CG1 VAL A 67 -1.279 -7.481 -7.212 1.00 1.91 C ATOM 944 CG2 VAL A 67 -0.344 -9.509 -6.039 1.00 1.60 C ATOM 0 H VAL A 67 1.356 -8.240 -4.057 1.00 0.44 H new ATOM 0 HA VAL A 67 -0.387 -6.244 -5.291 1.00 0.40 H new ATOM 0 HB VAL A 67 -2.039 -8.366 -5.426 1.00 0.42 H new ATOM 0 HG11 VAL A 67 -1.828 -8.149 -7.876 1.00 1.91 H new ATOM 0 HG12 VAL A 67 -1.851 -6.565 -7.065 1.00 1.91 H new ATOM 0 HG13 VAL A 67 -0.314 -7.239 -7.658 1.00 1.91 H new ATOM 0 HG21 VAL A 67 -0.911 -10.137 -6.726 1.00 1.60 H new ATOM 0 HG22 VAL A 67 0.654 -9.338 -6.443 1.00 1.60 H new ATOM 0 HG23 VAL A 67 -0.264 -10.008 -5.073 1.00 1.60 H new ATOM 954 N ILE A 68 -1.363 -6.102 -3.080 1.00 0.40 N ATOM 955 CA ILE A 68 -1.943 -5.958 -1.756 1.00 0.44 C ATOM 956 C ILE A 68 -3.459 -6.132 -1.846 1.00 0.44 C ATOM 957 O ILE A 68 -4.114 -5.489 -2.666 1.00 0.49 O ATOM 958 CB ILE A 68 -1.513 -4.633 -1.123 1.00 0.54 C ATOM 959 CG1 ILE A 68 -0.220 -4.802 -0.320 1.00 0.69 C ATOM 960 CG2 ILE A 68 -2.640 -4.038 -0.276 1.00 0.67 C ATOM 961 CD1 ILE A 68 0.993 -4.892 -1.248 1.00 0.73 C ATOM 0 H ILE A 68 -1.375 -5.253 -3.645 1.00 0.40 H new ATOM 0 HA ILE A 68 -1.571 -6.738 -1.091 1.00 0.44 H new ATOM 0 HB ILE A 68 -1.304 -3.924 -1.924 1.00 0.54 H new ATOM 0 HG12 ILE A 68 -0.099 -3.961 0.362 1.00 0.69 H new ATOM 0 HG13 ILE A 68 -0.282 -5.702 0.292 1.00 0.69 H new ATOM 0 HG21 ILE A 68 -2.308 -3.097 0.162 1.00 0.67 H new ATOM 0 HG22 ILE A 68 -3.512 -3.858 -0.905 1.00 0.67 H new ATOM 0 HG23 ILE A 68 -2.904 -4.735 0.519 1.00 0.67 H new ATOM 0 HD11 ILE A 68 1.898 -5.012 -0.653 1.00 0.73 H new ATOM 0 HD12 ILE A 68 0.880 -5.748 -1.913 1.00 0.73 H new ATOM 0 HD13 ILE A 68 1.066 -3.980 -1.841 1.00 0.73 H new ATOM 973 N THR A 69 -3.976 -7.004 -0.993 1.00 0.44 N ATOM 974 CA THR A 69 -5.403 -7.271 -0.967 1.00 0.53 C ATOM 975 C THR A 69 -5.913 -7.310 0.476 1.00 0.52 C ATOM 976 O THR A 69 -5.576 -8.219 1.232 1.00 0.56 O ATOM 977 CB THR A 69 -5.657 -8.569 -1.736 1.00 0.60 C ATOM 978 OG1 THR A 69 -6.331 -8.148 -2.918 1.00 0.73 O ATOM 979 CG2 THR A 69 -6.668 -9.478 -1.033 1.00 0.64 C ATOM 0 H THR A 69 -3.431 -7.535 -0.314 1.00 0.44 H new ATOM 0 HA THR A 69 -5.962 -6.473 -1.455 1.00 0.53 H new ATOM 0 HB THR A 69 -4.716 -9.104 -1.864 1.00 0.60 H new ATOM 0 HG1 THR A 69 -6.532 -8.928 -3.476 1.00 0.73 H new ATOM 0 HG21 THR A 69 -6.812 -10.385 -1.620 1.00 0.64 H new ATOM 0 HG22 THR A 69 -6.294 -9.742 -0.044 1.00 0.64 H new ATOM 0 HG23 THR A 69 -7.619 -8.955 -0.933 1.00 0.64 H new ATOM 987 N PRO A 70 -6.737 -6.285 0.822 1.00 0.53 N ATOM 988 CA PRO A 70 -7.296 -6.194 2.161 1.00 0.55 C ATOM 989 C PRO A 70 -8.422 -7.212 2.355 1.00 0.57 C ATOM 990 O PRO A 70 -9.280 -7.367 1.487 1.00 0.60 O ATOM 991 CB PRO A 70 -7.767 -4.755 2.293 1.00 0.61 C ATOM 992 CG PRO A 70 -7.878 -4.221 0.874 1.00 0.64 C ATOM 993 CD PRO A 70 -7.158 -5.191 -0.047 1.00 0.57 C ATOM 0 HA PRO A 70 -6.570 -6.434 2.938 1.00 0.55 H new ATOM 0 HB2 PRO A 70 -8.727 -4.704 2.806 1.00 0.61 H new ATOM 0 HB3 PRO A 70 -7.061 -4.165 2.878 1.00 0.61 H new ATOM 0 HG2 PRO A 70 -8.924 -4.124 0.583 1.00 0.64 H new ATOM 0 HG3 PRO A 70 -7.434 -3.228 0.804 1.00 0.64 H new ATOM 0 HD2 PRO A 70 -7.816 -5.546 -0.840 1.00 0.57 H new ATOM 0 HD3 PRO A 70 -6.303 -4.718 -0.530 1.00 0.57 H new ATOM 1001 N ALA A 71 -8.382 -7.879 3.499 1.00 0.59 N ATOM 1002 CA ALA A 71 -9.389 -8.877 3.818 1.00 0.64 C ATOM 1003 C ALA A 71 -10.744 -8.190 3.994 1.00 0.65 C ATOM 1004 O ALA A 71 -11.782 -8.767 3.673 1.00 0.75 O ATOM 1005 CB ALA A 71 -8.961 -9.651 5.068 1.00 0.70 C ATOM 0 H ALA A 71 -7.669 -7.748 4.216 1.00 0.59 H new ATOM 0 HA ALA A 71 -9.488 -9.597 3.005 1.00 0.64 H new ATOM 0 HB1 ALA A 71 -9.716 -10.400 5.308 1.00 0.70 H new ATOM 0 HB2 ALA A 71 -8.007 -10.144 4.882 1.00 0.70 H new ATOM 0 HB3 ALA A 71 -8.855 -8.961 5.905 1.00 0.70 H new ATOM 1011 N SER A 72 -10.691 -6.968 4.504 1.00 0.64 N ATOM 1012 CA SER A 72 -11.902 -6.196 4.726 1.00 0.68 C ATOM 1013 C SER A 72 -12.160 -5.272 3.534 1.00 0.61 C ATOM 1014 O SER A 72 -11.220 -4.786 2.906 1.00 0.58 O ATOM 1015 CB SER A 72 -11.808 -5.383 6.017 1.00 0.75 C ATOM 1016 OG SER A 72 -13.092 -5.124 6.581 1.00 1.10 O ATOM 0 H SER A 72 -9.828 -6.493 4.770 1.00 0.64 H new ATOM 0 HA SER A 72 -12.736 -6.890 4.826 1.00 0.68 H new ATOM 0 HB2 SER A 72 -11.196 -5.922 6.741 1.00 0.75 H new ATOM 0 HB3 SER A 72 -11.304 -4.438 5.814 1.00 0.75 H new ATOM 0 HG SER A 72 -12.988 -4.604 7.405 1.00 1.10 H new ATOM 1022 N PRO A 73 -13.472 -5.052 3.249 1.00 0.63 N ATOM 1023 CA PRO A 73 -13.864 -4.196 2.144 1.00 0.60 C ATOM 1024 C PRO A 73 -13.658 -2.721 2.494 1.00 0.53 C ATOM 1025 O PRO A 73 -14.074 -2.267 3.559 1.00 0.57 O ATOM 1026 CB PRO A 73 -15.319 -4.543 1.874 1.00 0.67 C ATOM 1027 CG PRO A 73 -15.821 -5.240 3.129 1.00 0.73 C ATOM 1028 CD PRO A 73 -14.611 -5.613 3.970 1.00 0.71 C ATOM 0 HA PRO A 73 -13.258 -4.356 1.253 1.00 0.60 H new ATOM 0 HB2 PRO A 73 -15.902 -3.646 1.666 1.00 0.67 H new ATOM 0 HB3 PRO A 73 -15.411 -5.192 1.003 1.00 0.67 H new ATOM 0 HG2 PRO A 73 -16.488 -4.584 3.689 1.00 0.73 H new ATOM 0 HG3 PRO A 73 -16.394 -6.130 2.868 1.00 0.73 H new ATOM 0 HD2 PRO A 73 -14.685 -5.200 4.976 1.00 0.71 H new ATOM 0 HD3 PRO A 73 -14.520 -6.694 4.075 1.00 0.71 H new ATOM 1036 N LEU A 74 -13.015 -2.013 1.576 1.00 0.49 N ATOM 1037 CA LEU A 74 -12.748 -0.599 1.774 1.00 0.47 C ATOM 1038 C LEU A 74 -14.024 0.200 1.502 1.00 0.47 C ATOM 1039 O LEU A 74 -14.527 0.210 0.379 1.00 0.52 O ATOM 1040 CB LEU A 74 -11.552 -0.155 0.929 1.00 0.52 C ATOM 1041 CG LEU A 74 -10.246 -0.915 1.165 1.00 0.54 C ATOM 1042 CD1 LEU A 74 -9.262 -0.685 0.017 1.00 0.61 C ATOM 1043 CD2 LEU A 74 -9.638 -0.551 2.522 1.00 0.56 C ATOM 0 H LEU A 74 -12.672 -2.393 0.694 1.00 0.49 H new ATOM 0 HA LEU A 74 -12.466 -0.407 2.809 1.00 0.47 H new ATOM 0 HB2 LEU A 74 -11.820 -0.251 -0.123 1.00 0.52 H new ATOM 0 HB3 LEU A 74 -11.372 0.904 1.117 1.00 0.52 H new ATOM 0 HG LEU A 74 -10.471 -1.981 1.187 1.00 0.54 H new ATOM 0 HD11 LEU A 74 -8.342 -1.237 0.210 1.00 0.61 H new ATOM 0 HD12 LEU A 74 -9.704 -1.033 -0.917 1.00 0.61 H new ATOM 0 HD13 LEU A 74 -9.037 0.379 -0.062 1.00 0.61 H new ATOM 0 HD21 LEU A 74 -8.710 -1.105 2.665 1.00 0.56 H new ATOM 0 HD22 LEU A 74 -9.430 0.519 2.553 1.00 0.56 H new ATOM 0 HD23 LEU A 74 -10.340 -0.807 3.316 1.00 0.56 H new ATOM 1055 N THR A 75 -14.512 0.853 2.547 1.00 0.47 N ATOM 1056 CA THR A 75 -15.719 1.652 2.433 1.00 0.52 C ATOM 1057 C THR A 75 -15.370 3.098 2.077 1.00 0.52 C ATOM 1058 O THR A 75 -14.206 3.491 2.134 1.00 0.52 O ATOM 1059 CB THR A 75 -16.498 1.521 3.744 1.00 0.59 C ATOM 1060 OG1 THR A 75 -15.597 2.011 4.734 1.00 0.62 O ATOM 1061 CG2 THR A 75 -16.732 0.062 4.142 1.00 0.60 C ATOM 0 H THR A 75 -14.093 0.844 3.477 1.00 0.47 H new ATOM 0 HA THR A 75 -16.354 1.295 1.623 1.00 0.52 H new ATOM 0 HB THR A 75 -17.457 2.030 3.649 1.00 0.59 H new ATOM 0 HG1 THR A 75 -16.022 1.964 5.616 1.00 0.62 H new ATOM 0 HG21 THR A 75 -17.289 0.025 5.078 1.00 0.60 H new ATOM 0 HG22 THR A 75 -17.302 -0.441 3.361 1.00 0.60 H new ATOM 0 HG23 THR A 75 -15.772 -0.439 4.270 1.00 0.60 H new ATOM 1069 N ALA A 76 -16.399 3.850 1.716 1.00 0.54 N ATOM 1070 CA ALA A 76 -16.215 5.244 1.351 1.00 0.57 C ATOM 1071 C ALA A 76 -15.377 5.942 2.423 1.00 0.58 C ATOM 1072 O ALA A 76 -15.413 5.559 3.591 1.00 0.78 O ATOM 1073 CB ALA A 76 -17.581 5.906 1.156 1.00 0.67 C ATOM 0 H ALA A 76 -17.363 3.520 1.668 1.00 0.54 H new ATOM 0 HA ALA A 76 -15.676 5.325 0.407 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -17.443 6.952 0.882 1.00 0.67 H new ATOM 0 HB2 ALA A 76 -18.124 5.392 0.363 1.00 0.67 H new ATOM 0 HB3 ALA A 76 -18.150 5.846 2.084 1.00 0.67 H new ATOM 1079 N GLY A 77 -14.643 6.956 1.988 1.00 0.57 N ATOM 1080 CA GLY A 77 -13.797 7.711 2.896 1.00 0.56 C ATOM 1081 C GLY A 77 -12.415 7.953 2.286 1.00 0.51 C ATOM 1082 O GLY A 77 -12.278 8.040 1.066 1.00 0.53 O ATOM 0 H GLY A 77 -14.617 7.272 1.019 1.00 0.57 H new ATOM 0 HA2 GLY A 77 -14.268 8.666 3.128 1.00 0.56 H new ATOM 0 HA3 GLY A 77 -13.693 7.170 3.837 1.00 0.56 H new ATOM 1086 N THR A 78 -11.426 8.056 3.161 1.00 0.49 N ATOM 1087 CA THR A 78 -10.060 8.286 2.723 1.00 0.47 C ATOM 1088 C THR A 78 -9.100 7.349 3.457 1.00 0.41 C ATOM 1089 O THR A 78 -9.186 7.194 4.674 1.00 0.43 O ATOM 1090 CB THR A 78 -9.740 9.768 2.931 1.00 0.51 C ATOM 1091 OG1 THR A 78 -10.507 10.433 1.931 1.00 0.62 O ATOM 1092 CG2 THR A 78 -8.291 10.110 2.578 1.00 0.62 C ATOM 0 H THR A 78 -11.543 7.984 4.172 1.00 0.49 H new ATOM 0 HA THR A 78 -9.941 8.058 1.664 1.00 0.47 H new ATOM 0 HB THR A 78 -9.934 10.038 3.969 1.00 0.51 H new ATOM 0 HG1 THR A 78 -10.622 11.374 2.179 1.00 0.62 H new ATOM 0 HG21 THR A 78 -8.117 11.173 2.744 1.00 0.62 H new ATOM 0 HG22 THR A 78 -7.616 9.530 3.208 1.00 0.62 H new ATOM 0 HG23 THR A 78 -8.105 9.871 1.531 1.00 0.62 H new ATOM 1100 N TYR A 79 -8.205 6.748 2.686 1.00 0.38 N ATOM 1101 CA TYR A 79 -7.230 5.830 3.248 1.00 0.35 C ATOM 1102 C TYR A 79 -5.848 6.050 2.628 1.00 0.34 C ATOM 1103 O TYR A 79 -5.734 6.623 1.545 1.00 0.40 O ATOM 1104 CB TYR A 79 -7.717 4.424 2.889 1.00 0.37 C ATOM 1105 CG TYR A 79 -9.140 4.120 3.361 1.00 0.36 C ATOM 1106 CD1 TYR A 79 -10.219 4.692 2.717 1.00 1.75 C ATOM 1107 CD2 TYR A 79 -9.345 3.274 4.432 1.00 1.61 C ATOM 1108 CE1 TYR A 79 -11.558 4.406 3.162 1.00 1.74 C ATOM 1109 CE2 TYR A 79 -10.685 2.988 4.877 1.00 1.65 C ATOM 1110 CZ TYR A 79 -11.725 3.568 4.220 1.00 0.48 C ATOM 1111 OH TYR A 79 -12.989 3.297 4.640 1.00 0.57 O ATOM 0 H TYR A 79 -8.135 6.879 1.677 1.00 0.38 H new ATOM 0 HA TYR A 79 -7.139 5.980 4.324 1.00 0.35 H new ATOM 0 HB2 TYR A 79 -7.669 4.299 1.807 1.00 0.37 H new ATOM 0 HB3 TYR A 79 -7.036 3.692 3.325 1.00 0.37 H new ATOM 0 HD1 TYR A 79 -10.059 5.354 1.879 1.00 1.75 H new ATOM 0 HD2 TYR A 79 -8.501 2.827 4.936 1.00 1.61 H new ATOM 0 HE1 TYR A 79 -12.411 4.847 2.667 1.00 1.74 H new ATOM 0 HE2 TYR A 79 -10.860 2.328 5.714 1.00 1.65 H new ATOM 0 HH TYR A 79 -13.607 3.366 3.883 1.00 0.57 H new ATOM 1121 N LYS A 80 -4.833 5.584 3.341 1.00 0.36 N ATOM 1122 CA LYS A 80 -3.464 5.724 2.874 1.00 0.39 C ATOM 1123 C LYS A 80 -2.751 4.375 2.989 1.00 0.37 C ATOM 1124 O LYS A 80 -2.610 3.835 4.085 1.00 0.41 O ATOM 1125 CB LYS A 80 -2.757 6.859 3.619 1.00 0.45 C ATOM 1126 CG LYS A 80 -2.525 8.058 2.697 1.00 1.61 C ATOM 1127 CD LYS A 80 -2.699 9.375 3.456 1.00 3.05 C ATOM 1128 CE LYS A 80 -1.491 10.291 3.249 1.00 2.98 C ATOM 1129 NZ LYS A 80 -0.464 10.034 4.283 1.00 2.36 N ATOM 0 H LYS A 80 -4.931 5.109 4.238 1.00 0.36 H new ATOM 0 HA LYS A 80 -3.447 6.006 1.821 1.00 0.39 H new ATOM 0 HB2 LYS A 80 -3.357 7.165 4.476 1.00 0.45 H new ATOM 0 HB3 LYS A 80 -1.802 6.505 4.008 1.00 0.45 H new ATOM 0 HG2 LYS A 80 -1.522 8.008 2.274 1.00 1.61 H new ATOM 0 HG3 LYS A 80 -3.225 8.020 1.862 1.00 1.61 H new ATOM 0 HD2 LYS A 80 -3.604 9.878 3.116 1.00 3.05 H new ATOM 0 HD3 LYS A 80 -2.828 9.172 4.519 1.00 3.05 H new ATOM 0 HE2 LYS A 80 -1.068 10.126 2.258 1.00 2.98 H new ATOM 0 HE3 LYS A 80 -1.806 11.334 3.292 1.00 2.98 H new ATOM 0 HZ1 LYS A 80 0.349 10.664 4.129 1.00 2.36 H new ATOM 0 HZ2 LYS A 80 -0.867 10.214 5.225 1.00 2.36 H new ATOM 0 HZ3 LYS A 80 -0.151 9.044 4.223 1.00 2.36 H new ATOM 1143 N VAL A 81 -2.319 3.871 1.842 1.00 0.36 N ATOM 1144 CA VAL A 81 -1.624 2.596 1.800 1.00 0.36 C ATOM 1145 C VAL A 81 -0.114 2.842 1.845 1.00 0.37 C ATOM 1146 O VAL A 81 0.478 3.266 0.854 1.00 0.50 O ATOM 1147 CB VAL A 81 -2.065 1.800 0.570 1.00 0.36 C ATOM 1148 CG1 VAL A 81 -1.399 0.422 0.542 1.00 0.46 C ATOM 1149 CG2 VAL A 81 -3.588 1.676 0.514 1.00 0.45 C ATOM 0 H VAL A 81 -2.437 4.323 0.935 1.00 0.36 H new ATOM 0 HA VAL A 81 -1.881 1.991 2.670 1.00 0.36 H new ATOM 0 HB VAL A 81 -1.742 2.346 -0.317 1.00 0.36 H new ATOM 0 HG11 VAL A 81 -1.729 -0.124 -0.342 1.00 0.46 H new ATOM 0 HG12 VAL A 81 -0.316 0.542 0.511 1.00 0.46 H new ATOM 0 HG13 VAL A 81 -1.677 -0.135 1.437 1.00 0.46 H new ATOM 0 HG21 VAL A 81 -3.874 1.106 -0.370 1.00 0.45 H new ATOM 0 HG22 VAL A 81 -3.944 1.164 1.408 1.00 0.45 H new ATOM 0 HG23 VAL A 81 -4.032 2.670 0.464 1.00 0.45 H new ATOM 1159 N ASP A 82 0.464 2.563 3.003 1.00 0.37 N ATOM 1160 CA ASP A 82 1.893 2.748 3.190 1.00 0.38 C ATOM 1161 C ASP A 82 2.621 1.448 2.845 1.00 0.38 C ATOM 1162 O ASP A 82 2.411 0.424 3.491 1.00 0.44 O ATOM 1163 CB ASP A 82 2.218 3.100 4.643 1.00 0.46 C ATOM 1164 CG ASP A 82 1.619 4.418 5.139 1.00 0.68 C ATOM 1165 OD1 ASP A 82 0.419 4.680 4.965 1.00 1.48 O ATOM 1166 OD2 ASP A 82 2.450 5.205 5.733 1.00 1.85 O ATOM 0 H ASP A 82 -0.031 2.210 3.822 1.00 0.37 H new ATOM 0 HA ASP A 82 2.215 3.563 2.541 1.00 0.38 H new ATOM 0 HB2 ASP A 82 1.864 2.293 5.284 1.00 0.46 H new ATOM 0 HB3 ASP A 82 3.301 3.145 4.757 1.00 0.46 H new ATOM 1171 N TRP A 83 3.463 1.531 1.825 1.00 0.38 N ATOM 1172 CA TRP A 83 4.223 0.374 1.384 1.00 0.40 C ATOM 1173 C TRP A 83 5.706 0.664 1.623 1.00 0.46 C ATOM 1174 O TRP A 83 6.103 1.821 1.751 1.00 0.43 O ATOM 1175 CB TRP A 83 3.907 0.031 -0.072 1.00 0.41 C ATOM 1176 CG TRP A 83 4.176 1.176 -1.053 1.00 0.38 C ATOM 1177 CD1 TRP A 83 3.283 1.955 -1.677 1.00 0.40 C ATOM 1178 CD2 TRP A 83 5.469 1.639 -1.498 1.00 0.41 C ATOM 1179 NE1 TRP A 83 3.902 2.883 -2.489 1.00 0.43 N ATOM 1180 CE2 TRP A 83 5.273 2.685 -2.377 1.00 0.45 C ATOM 1181 CE3 TRP A 83 6.760 1.189 -1.171 1.00 0.47 C ATOM 1182 CZ2 TRP A 83 6.324 3.369 -3.000 1.00 0.54 C ATOM 1183 CZ3 TRP A 83 7.799 1.883 -1.801 1.00 0.56 C ATOM 1184 CH2 TRP A 83 7.619 2.939 -2.688 1.00 0.60 C ATOM 0 H TRP A 83 3.636 2.383 1.291 1.00 0.38 H new ATOM 0 HA TRP A 83 3.945 -0.511 1.956 1.00 0.40 H new ATOM 0 HB2 TRP A 83 4.500 -0.834 -0.368 1.00 0.41 H new ATOM 0 HB3 TRP A 83 2.859 -0.260 -0.147 1.00 0.41 H new ATOM 0 HD1 TRP A 83 2.213 1.868 -1.559 1.00 0.40 H new ATOM 0 HE1 TRP A 83 3.439 3.585 -3.066 1.00 0.43 H new ATOM 0 HE3 TRP A 83 6.936 0.372 -0.487 1.00 0.47 H new ATOM 0 HZ2 TRP A 83 6.145 4.185 -3.685 1.00 0.54 H new ATOM 0 HZ3 TRP A 83 8.812 1.577 -1.583 1.00 0.56 H new ATOM 0 HH2 TRP A 83 8.474 3.425 -3.134 1.00 0.60 H new ATOM 1195 N ARG A 84 6.485 -0.407 1.675 1.00 0.57 N ATOM 1196 CA ARG A 84 7.916 -0.281 1.895 1.00 0.66 C ATOM 1197 C ARG A 84 8.668 -1.373 1.132 1.00 0.71 C ATOM 1198 O ARG A 84 8.400 -2.560 1.313 1.00 0.75 O ATOM 1199 CB ARG A 84 8.255 -0.384 3.384 1.00 0.72 C ATOM 1200 CG ARG A 84 8.319 1.002 4.029 1.00 0.86 C ATOM 1201 CD ARG A 84 7.772 0.968 5.458 1.00 1.14 C ATOM 1202 NE ARG A 84 8.826 1.377 6.412 1.00 2.05 N ATOM 1203 CZ ARG A 84 8.583 1.807 7.669 1.00 2.47 C ATOM 1204 NH1 ARG A 84 7.319 1.887 8.134 1.00 2.65 N ATOM 1205 NH2 ARG A 84 9.602 2.148 8.437 1.00 3.79 N ATOM 0 H ARG A 84 6.152 -1.365 1.569 1.00 0.57 H new ATOM 0 HA ARG A 84 8.223 0.699 1.530 1.00 0.66 H new ATOM 0 HB2 ARG A 84 7.504 -0.990 3.890 1.00 0.72 H new ATOM 0 HB3 ARG A 84 9.212 -0.892 3.509 1.00 0.72 H new ATOM 0 HG2 ARG A 84 9.350 1.355 4.039 1.00 0.86 H new ATOM 0 HG3 ARG A 84 7.745 1.711 3.433 1.00 0.86 H new ATOM 0 HD2 ARG A 84 6.914 1.634 5.544 1.00 1.14 H new ATOM 0 HD3 ARG A 84 7.422 -0.036 5.698 1.00 1.14 H new ATOM 0 HE ARG A 84 9.796 1.331 6.101 1.00 2.05 H new ATOM 0 HH11 ARG A 84 6.537 1.622 7.535 1.00 2.65 H new ATOM 0 HH12 ARG A 84 7.145 2.213 9.085 1.00 2.65 H new ATOM 0 HH21 ARG A 84 10.555 2.085 8.078 1.00 3.79 H new ATOM 0 HH22 ARG A 84 9.436 2.475 9.389 1.00 3.79 H new ATOM 1219 N ALA A 85 9.596 -0.932 0.295 1.00 0.79 N ATOM 1220 CA ALA A 85 10.389 -1.857 -0.498 1.00 0.88 C ATOM 1221 C ALA A 85 11.825 -1.870 0.028 1.00 0.96 C ATOM 1222 O ALA A 85 12.390 -0.819 0.330 1.00 0.96 O ATOM 1223 CB ALA A 85 10.312 -1.461 -1.973 1.00 0.92 C ATOM 0 H ALA A 85 9.817 0.053 0.149 1.00 0.79 H new ATOM 0 HA ALA A 85 9.997 -2.870 -0.412 1.00 0.88 H new ATOM 0 HB1 ALA A 85 10.907 -2.155 -2.567 1.00 0.92 H new ATOM 0 HB2 ALA A 85 9.274 -1.495 -2.305 1.00 0.92 H new ATOM 0 HB3 ALA A 85 10.700 -0.450 -2.099 1.00 0.92 H new ATOM 1229 N VAL A 86 12.376 -3.071 0.123 1.00 1.27 N ATOM 1230 CA VAL A 86 13.736 -3.235 0.607 1.00 1.40 C ATOM 1231 C VAL A 86 14.373 -4.449 -0.074 1.00 1.73 C ATOM 1232 O VAL A 86 13.933 -5.579 0.127 1.00 2.28 O ATOM 1233 CB VAL A 86 13.739 -3.337 2.134 1.00 1.60 C ATOM 1234 CG1 VAL A 86 15.164 -3.487 2.671 1.00 2.44 C ATOM 1235 CG2 VAL A 86 13.039 -2.132 2.766 1.00 2.53 C ATOM 0 H VAL A 86 11.905 -3.940 -0.127 1.00 1.27 H new ATOM 0 HA VAL A 86 14.340 -2.364 0.351 1.00 1.40 H new ATOM 0 HB VAL A 86 13.181 -4.231 2.411 1.00 1.60 H new ATOM 0 HG11 VAL A 86 15.138 -3.557 3.758 1.00 2.44 H new ATOM 0 HG12 VAL A 86 15.615 -4.390 2.260 1.00 2.44 H new ATOM 0 HG13 VAL A 86 15.756 -2.620 2.378 1.00 2.44 H new ATOM 0 HG21 VAL A 86 13.055 -2.230 3.851 1.00 2.53 H new ATOM 0 HG22 VAL A 86 13.556 -1.217 2.476 1.00 2.53 H new ATOM 0 HG23 VAL A 86 12.006 -2.089 2.421 1.00 2.53 H new ATOM 1245 N SER A 87 15.399 -4.172 -0.866 1.00 2.00 N ATOM 1246 CA SER A 87 16.101 -5.225 -1.578 1.00 2.52 C ATOM 1247 C SER A 87 17.238 -5.772 -0.714 1.00 2.37 C ATOM 1248 O SER A 87 17.477 -6.979 -0.688 1.00 3.53 O ATOM 1249 CB SER A 87 16.646 -4.718 -2.915 1.00 3.23 C ATOM 1250 OG SER A 87 17.617 -5.604 -3.465 1.00 4.17 O ATOM 0 H SER A 87 15.761 -3.232 -1.030 1.00 2.00 H new ATOM 0 HA SER A 87 15.393 -6.027 -1.787 1.00 2.52 H new ATOM 0 HB2 SER A 87 15.823 -4.598 -3.620 1.00 3.23 H new ATOM 0 HB3 SER A 87 17.092 -3.733 -2.775 1.00 3.23 H new ATOM 0 HG SER A 87 17.940 -5.247 -4.319 1.00 4.17 H new ATOM 1256 N SER A 88 17.910 -4.859 -0.028 1.00 1.77 N ATOM 1257 CA SER A 88 19.017 -5.236 0.835 1.00 2.00 C ATOM 1258 C SER A 88 19.188 -4.200 1.948 1.00 2.39 C ATOM 1259 O SER A 88 18.519 -3.168 1.949 1.00 3.47 O ATOM 1260 CB SER A 88 20.315 -5.375 0.036 1.00 2.40 C ATOM 1261 OG SER A 88 20.615 -6.737 -0.259 1.00 2.88 O ATOM 0 H SER A 88 17.709 -3.859 -0.052 1.00 1.77 H new ATOM 0 HA SER A 88 18.790 -6.205 1.280 1.00 2.00 H new ATOM 0 HB2 SER A 88 20.231 -4.812 -0.894 1.00 2.40 H new ATOM 0 HB3 SER A 88 21.138 -4.936 0.601 1.00 2.40 H new ATOM 0 HG SER A 88 19.785 -7.220 -0.456 1.00 2.88 H new ATOM 1267 N ASP A 89 20.089 -4.512 2.869 1.00 2.73 N ATOM 1268 CA ASP A 89 20.356 -3.621 3.986 1.00 3.34 C ATOM 1269 C ASP A 89 21.123 -2.397 3.483 1.00 2.54 C ATOM 1270 O ASP A 89 22.352 -2.408 3.432 1.00 3.55 O ATOM 1271 CB ASP A 89 21.211 -4.312 5.048 1.00 5.04 C ATOM 1272 CG ASP A 89 20.908 -5.797 5.258 1.00 6.45 C ATOM 1273 OD1 ASP A 89 19.765 -6.193 4.941 1.00 7.17 O ATOM 1274 OD2 ASP A 89 21.826 -6.502 5.730 1.00 7.41 O ATOM 0 H ASP A 89 20.643 -5.369 2.864 1.00 2.73 H new ATOM 0 HA ASP A 89 19.401 -3.333 4.424 1.00 3.34 H new ATOM 0 HB2 ASP A 89 22.260 -4.206 4.773 1.00 5.04 H new ATOM 0 HB3 ASP A 89 21.076 -3.792 5.996 1.00 5.04 H new ATOM 1279 N THR A 90 20.367 -1.369 3.124 1.00 2.29 N ATOM 1280 CA THR A 90 20.960 -0.140 2.629 1.00 2.60 C ATOM 1281 C THR A 90 19.880 0.920 2.400 1.00 2.29 C ATOM 1282 O THR A 90 19.518 1.206 1.260 1.00 3.28 O ATOM 1283 CB THR A 90 21.758 -0.476 1.366 1.00 3.98 C ATOM 1284 OG1 THR A 90 22.317 0.772 0.967 1.00 4.62 O ATOM 1285 CG2 THR A 90 20.859 -0.875 0.194 1.00 5.31 C ATOM 0 H THR A 90 19.348 -1.363 3.167 1.00 2.29 H new ATOM 0 HA THR A 90 21.644 0.291 3.360 1.00 2.60 H new ATOM 0 HB THR A 90 22.454 -1.287 1.581 1.00 3.98 H new ATOM 0 HG1 THR A 90 22.852 0.646 0.156 1.00 4.62 H new ATOM 0 HG21 THR A 90 21.475 -1.103 -0.676 1.00 5.31 H new ATOM 0 HG22 THR A 90 20.276 -1.755 0.466 1.00 5.31 H new ATOM 0 HG23 THR A 90 20.185 -0.052 -0.044 1.00 5.31 H new ATOM 1293 N HIS A 91 19.397 1.472 3.503 1.00 1.91 N ATOM 1294 CA HIS A 91 18.365 2.493 3.437 1.00 1.81 C ATOM 1295 C HIS A 91 17.110 1.915 2.781 1.00 1.31 C ATOM 1296 O HIS A 91 17.122 1.582 1.597 1.00 1.38 O ATOM 1297 CB HIS A 91 18.883 3.744 2.725 1.00 2.51 C ATOM 1298 CG HIS A 91 19.341 4.839 3.659 1.00 3.08 C ATOM 1299 ND1 HIS A 91 20.328 4.649 4.610 1.00 3.88 N ATOM 1300 CD2 HIS A 91 18.936 6.137 3.778 1.00 3.93 C ATOM 1301 CE1 HIS A 91 20.502 5.787 5.266 1.00 4.73 C ATOM 1302 NE2 HIS A 91 19.638 6.707 4.749 1.00 4.66 N ATOM 0 H HIS A 91 19.701 1.232 4.447 1.00 1.91 H new ATOM 0 HA HIS A 91 18.094 2.805 4.446 1.00 1.81 H new ATOM 0 HB2 HIS A 91 19.713 3.463 2.077 1.00 2.51 H new ATOM 0 HB3 HIS A 91 18.095 4.136 2.082 1.00 2.51 H new ATOM 0 HD2 HIS A 91 18.174 6.618 3.183 1.00 3.93 H new ATOM 0 HE1 HIS A 91 21.204 5.956 6.069 1.00 4.73 H new ATOM 0 HE2 HIS A 91 19.546 7.675 5.058 1.00 4.66 H new ATOM 1310 N PRO A 92 16.030 1.810 3.600 1.00 1.12 N ATOM 1311 CA PRO A 92 14.769 1.277 3.112 1.00 0.90 C ATOM 1312 C PRO A 92 14.047 2.299 2.232 1.00 0.80 C ATOM 1313 O PRO A 92 14.253 3.503 2.374 1.00 1.01 O ATOM 1314 CB PRO A 92 13.987 0.910 4.362 1.00 1.29 C ATOM 1315 CG PRO A 92 14.639 1.677 5.502 1.00 1.64 C ATOM 1316 CD PRO A 92 15.980 2.194 5.008 1.00 1.55 C ATOM 0 HA PRO A 92 14.900 0.405 2.471 1.00 0.90 H new ATOM 0 HB2 PRO A 92 12.936 1.182 4.259 1.00 1.29 H new ATOM 0 HB3 PRO A 92 14.022 -0.164 4.543 1.00 1.29 H new ATOM 0 HG2 PRO A 92 14.004 2.504 5.818 1.00 1.64 H new ATOM 0 HG3 PRO A 92 14.775 1.030 6.369 1.00 1.64 H new ATOM 0 HD2 PRO A 92 16.056 3.275 5.126 1.00 1.55 H new ATOM 0 HD3 PRO A 92 16.805 1.753 5.568 1.00 1.55 H new ATOM 1324 N ILE A 93 13.212 1.781 1.342 1.00 0.70 N ATOM 1325 CA ILE A 93 12.457 2.632 0.439 1.00 0.74 C ATOM 1326 C ILE A 93 10.992 2.657 0.874 1.00 0.71 C ATOM 1327 O ILE A 93 10.236 1.731 0.579 1.00 1.03 O ATOM 1328 CB ILE A 93 12.662 2.189 -1.011 1.00 0.86 C ATOM 1329 CG1 ILE A 93 14.146 2.201 -1.384 1.00 1.42 C ATOM 1330 CG2 ILE A 93 11.824 3.040 -1.968 1.00 1.43 C ATOM 1331 CD1 ILE A 93 14.838 0.919 -0.917 1.00 2.69 C ATOM 0 H ILE A 93 13.042 0.782 1.228 1.00 0.70 H new ATOM 0 HA ILE A 93 12.821 3.658 0.488 1.00 0.74 H new ATOM 0 HB ILE A 93 12.315 1.160 -1.106 1.00 0.86 H new ATOM 0 HG12 ILE A 93 14.253 2.304 -2.464 1.00 1.42 H new ATOM 0 HG13 ILE A 93 14.631 3.066 -0.932 1.00 1.42 H new ATOM 0 HG21 ILE A 93 11.988 2.704 -2.992 1.00 1.43 H new ATOM 0 HG22 ILE A 93 10.768 2.937 -1.717 1.00 1.43 H new ATOM 0 HG23 ILE A 93 12.118 4.086 -1.877 1.00 1.43 H new ATOM 0 HD11 ILE A 93 15.892 0.953 -1.194 1.00 2.69 H new ATOM 0 HD12 ILE A 93 14.750 0.832 0.166 1.00 2.69 H new ATOM 0 HD13 ILE A 93 14.366 0.058 -1.390 1.00 2.69 H new ATOM 1343 N THR A 94 10.631 3.726 1.570 1.00 0.53 N ATOM 1344 CA THR A 94 9.268 3.883 2.048 1.00 0.52 C ATOM 1345 C THR A 94 8.408 4.581 0.991 1.00 0.51 C ATOM 1346 O THR A 94 8.918 5.359 0.188 1.00 0.64 O ATOM 1347 CB THR A 94 9.318 4.632 3.381 1.00 0.63 C ATOM 1348 OG1 THR A 94 10.189 5.732 3.128 1.00 0.74 O ATOM 1349 CG2 THR A 94 10.034 3.835 4.474 1.00 0.74 C ATOM 0 H THR A 94 11.259 4.492 1.814 1.00 0.53 H new ATOM 0 HA THR A 94 8.795 2.916 2.219 1.00 0.52 H new ATOM 0 HB THR A 94 8.304 4.864 3.706 1.00 0.63 H new ATOM 0 HG1 THR A 94 10.277 6.273 3.940 1.00 0.74 H new ATOM 0 HG21 THR A 94 10.042 4.412 5.399 1.00 0.74 H new ATOM 0 HG22 THR A 94 9.512 2.892 4.638 1.00 0.74 H new ATOM 0 HG23 THR A 94 11.059 3.633 4.164 1.00 0.74 H new ATOM 1357 N GLY A 95 7.120 4.275 1.028 1.00 0.47 N ATOM 1358 CA GLY A 95 6.185 4.862 0.084 1.00 0.49 C ATOM 1359 C GLY A 95 4.746 4.741 0.588 1.00 0.44 C ATOM 1360 O GLY A 95 4.415 3.800 1.309 1.00 0.52 O ATOM 0 H GLY A 95 6.702 3.628 1.697 1.00 0.47 H new ATOM 0 HA2 GLY A 95 6.432 5.912 -0.072 1.00 0.49 H new ATOM 0 HA3 GLY A 95 6.278 4.366 -0.882 1.00 0.49 H new ATOM 1364 N SER A 96 3.930 5.706 0.192 1.00 0.41 N ATOM 1365 CA SER A 96 2.534 5.719 0.596 1.00 0.41 C ATOM 1366 C SER A 96 1.651 6.132 -0.585 1.00 0.37 C ATOM 1367 O SER A 96 2.032 6.992 -1.378 1.00 0.43 O ATOM 1368 CB SER A 96 2.311 6.661 1.779 1.00 0.55 C ATOM 1369 OG SER A 96 3.536 7.199 2.271 1.00 0.81 O ATOM 0 H SER A 96 4.209 6.485 -0.405 1.00 0.41 H new ATOM 0 HA SER A 96 2.261 4.712 0.912 1.00 0.41 H new ATOM 0 HB2 SER A 96 1.653 7.475 1.475 1.00 0.55 H new ATOM 0 HB3 SER A 96 1.803 6.123 2.580 1.00 0.55 H new ATOM 0 HG SER A 96 3.351 7.797 3.025 1.00 0.81 H new ATOM 1375 N VAL A 97 0.490 5.499 -0.664 1.00 0.37 N ATOM 1376 CA VAL A 97 -0.449 5.790 -1.733 1.00 0.35 C ATOM 1377 C VAL A 97 -1.811 6.139 -1.130 1.00 0.34 C ATOM 1378 O VAL A 97 -2.485 5.277 -0.569 1.00 0.34 O ATOM 1379 CB VAL A 97 -0.512 4.613 -2.710 1.00 0.33 C ATOM 1380 CG1 VAL A 97 -1.244 5.005 -3.995 1.00 0.43 C ATOM 1381 CG2 VAL A 97 0.888 4.080 -3.016 1.00 0.42 C ATOM 0 H VAL A 97 0.178 4.786 -0.005 1.00 0.37 H new ATOM 0 HA VAL A 97 -0.117 6.655 -2.307 1.00 0.35 H new ATOM 0 HB VAL A 97 -1.078 3.812 -2.234 1.00 0.33 H new ATOM 0 HG11 VAL A 97 -1.274 4.151 -4.671 1.00 0.43 H new ATOM 0 HG12 VAL A 97 -2.261 5.314 -3.754 1.00 0.43 H new ATOM 0 HG13 VAL A 97 -0.718 5.830 -4.476 1.00 0.43 H new ATOM 0 HG21 VAL A 97 0.815 3.244 -3.712 1.00 0.42 H new ATOM 0 HG22 VAL A 97 1.490 4.872 -3.462 1.00 0.42 H new ATOM 0 HG23 VAL A 97 1.359 3.743 -2.093 1.00 0.42 H new ATOM 1391 N THR A 98 -2.175 7.405 -1.265 1.00 0.41 N ATOM 1392 CA THR A 98 -3.444 7.880 -0.740 1.00 0.42 C ATOM 1393 C THR A 98 -4.540 7.754 -1.799 1.00 0.40 C ATOM 1394 O THR A 98 -4.297 7.994 -2.981 1.00 0.44 O ATOM 1395 CB THR A 98 -3.243 9.313 -0.241 1.00 0.50 C ATOM 1396 OG1 THR A 98 -4.391 9.562 0.567 1.00 0.52 O ATOM 1397 CG2 THR A 98 -3.348 10.344 -1.365 1.00 0.54 C ATOM 0 H THR A 98 -1.613 8.117 -1.731 1.00 0.41 H new ATOM 0 HA THR A 98 -3.777 7.271 0.101 1.00 0.42 H new ATOM 0 HB THR A 98 -2.268 9.398 0.239 1.00 0.50 H new ATOM 0 HG1 THR A 98 -4.343 10.470 0.933 1.00 0.52 H new ATOM 0 HG21 THR A 98 -3.198 11.344 -0.957 1.00 0.54 H new ATOM 0 HG22 THR A 98 -2.586 10.141 -2.117 1.00 0.54 H new ATOM 0 HG23 THR A 98 -4.335 10.284 -1.823 1.00 0.54 H new ATOM 1405 N PHE A 99 -5.724 7.377 -1.338 1.00 0.37 N ATOM 1406 CA PHE A 99 -6.859 7.215 -2.231 1.00 0.37 C ATOM 1407 C PHE A 99 -8.178 7.414 -1.483 1.00 0.37 C ATOM 1408 O PHE A 99 -8.280 7.091 -0.301 1.00 0.40 O ATOM 1409 CB PHE A 99 -6.803 5.786 -2.773 1.00 0.34 C ATOM 1410 CG PHE A 99 -7.243 4.722 -1.766 1.00 0.32 C ATOM 1411 CD1 PHE A 99 -8.555 4.612 -1.423 1.00 1.68 C ATOM 1412 CD2 PHE A 99 -6.324 3.886 -1.213 1.00 1.71 C ATOM 1413 CE1 PHE A 99 -8.965 3.624 -0.489 1.00 1.70 C ATOM 1414 CE2 PHE A 99 -6.734 2.898 -0.278 1.00 1.69 C ATOM 1415 CZ PHE A 99 -8.045 2.788 0.065 1.00 0.33 C ATOM 0 H PHE A 99 -5.922 7.179 -0.357 1.00 0.37 H new ATOM 0 HA PHE A 99 -6.811 7.954 -3.031 1.00 0.37 H new ATOM 0 HB2 PHE A 99 -7.436 5.719 -3.658 1.00 0.34 H new ATOM 0 HB3 PHE A 99 -5.784 5.569 -3.093 1.00 0.34 H new ATOM 0 HD1 PHE A 99 -9.285 5.276 -1.861 1.00 1.68 H new ATOM 0 HD2 PHE A 99 -5.282 3.973 -1.485 1.00 1.71 H new ATOM 0 HE1 PHE A 99 -10.007 3.536 -0.218 1.00 1.70 H new ATOM 0 HE2 PHE A 99 -6.004 2.234 0.161 1.00 1.69 H new ATOM 0 HZ PHE A 99 -8.356 2.038 0.777 1.00 0.33 H new ATOM 1425 N LYS A 100 -9.156 7.944 -2.203 1.00 0.37 N ATOM 1426 CA LYS A 100 -10.465 8.189 -1.623 1.00 0.38 C ATOM 1427 C LYS A 100 -11.442 7.118 -2.108 1.00 0.38 C ATOM 1428 O LYS A 100 -11.142 6.376 -3.042 1.00 0.39 O ATOM 1429 CB LYS A 100 -10.923 9.619 -1.918 1.00 0.43 C ATOM 1430 CG LYS A 100 -10.069 10.636 -1.159 1.00 0.47 C ATOM 1431 CD LYS A 100 -10.911 11.833 -0.711 1.00 1.22 C ATOM 1432 CE LYS A 100 -11.054 12.856 -1.841 1.00 2.07 C ATOM 1433 NZ LYS A 100 -12.276 12.586 -2.631 1.00 3.54 N ATOM 0 H LYS A 100 -9.068 8.211 -3.184 1.00 0.37 H new ATOM 0 HA LYS A 100 -10.421 8.111 -0.537 1.00 0.38 H new ATOM 0 HB2 LYS A 100 -10.858 9.812 -2.989 1.00 0.43 H new ATOM 0 HB3 LYS A 100 -11.969 9.735 -1.636 1.00 0.43 H new ATOM 0 HG2 LYS A 100 -9.616 10.159 -0.290 1.00 0.47 H new ATOM 0 HG3 LYS A 100 -9.253 10.978 -1.796 1.00 0.47 H new ATOM 0 HD2 LYS A 100 -11.898 11.491 -0.398 1.00 1.22 H new ATOM 0 HD3 LYS A 100 -10.447 12.305 0.155 1.00 1.22 H new ATOM 0 HE2 LYS A 100 -11.097 13.863 -1.425 1.00 2.07 H new ATOM 0 HE3 LYS A 100 -10.178 12.816 -2.489 1.00 2.07 H new ATOM 0 HZ1 LYS A 100 -12.048 12.617 -3.645 1.00 3.54 H new ATOM 0 HZ2 LYS A 100 -12.646 11.645 -2.388 1.00 3.54 H new ATOM 0 HZ3 LYS A 100 -12.995 13.306 -2.416 1.00 3.54 H new ATOM 1447 N VAL A 101 -12.592 7.070 -1.452 1.00 0.40 N ATOM 1448 CA VAL A 101 -13.616 6.100 -1.805 1.00 0.42 C ATOM 1449 C VAL A 101 -14.994 6.749 -1.671 1.00 0.48 C ATOM 1450 O VAL A 101 -15.375 7.189 -0.587 1.00 0.50 O ATOM 1451 CB VAL A 101 -13.463 4.842 -0.949 1.00 0.41 C ATOM 1452 CG1 VAL A 101 -14.608 3.860 -1.207 1.00 0.50 C ATOM 1453 CG2 VAL A 101 -12.106 4.176 -1.190 1.00 0.42 C ATOM 0 H VAL A 101 -12.838 7.687 -0.678 1.00 0.40 H new ATOM 0 HA VAL A 101 -13.503 5.786 -2.843 1.00 0.42 H new ATOM 0 HB VAL A 101 -13.508 5.142 0.098 1.00 0.41 H new ATOM 0 HG11 VAL A 101 -14.475 2.974 -0.586 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -15.558 4.336 -0.962 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -14.608 3.569 -2.258 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -12.023 3.284 -0.569 1.00 0.42 H new ATOM 0 HG22 VAL A 101 -12.019 3.897 -2.240 1.00 0.42 H new ATOM 0 HG23 VAL A 101 -11.308 4.873 -0.933 1.00 0.42 H new ATOM 1463 N LYS A 102 -15.705 6.791 -2.789 1.00 0.54 N ATOM 1464 CA LYS A 102 -17.034 7.379 -2.810 1.00 0.61 C ATOM 1465 C LYS A 102 -18.068 6.283 -3.074 1.00 0.74 C ATOM 1466 O LYS A 102 -19.269 6.509 -2.926 1.00 1.23 O ATOM 1467 CB LYS A 102 -17.092 8.535 -3.812 1.00 0.65 C ATOM 1468 CG LYS A 102 -16.008 9.574 -3.514 1.00 0.63 C ATOM 1469 CD LYS A 102 -16.603 10.802 -2.823 1.00 0.90 C ATOM 1470 CE LYS A 102 -16.650 11.998 -3.777 1.00 1.93 C ATOM 1471 NZ LYS A 102 -17.965 12.070 -4.453 1.00 3.24 N ATOM 1472 OXT LYS A 102 -17.748 5.098 -3.020 1.00 1.09 O ATOM 0 H LYS A 102 -15.386 6.427 -3.687 1.00 0.54 H new ATOM 0 HA LYS A 102 -17.273 7.816 -1.840 1.00 0.61 H new ATOM 0 HB2 LYS A 102 -16.964 8.151 -4.824 1.00 0.65 H new ATOM 0 HB3 LYS A 102 -18.074 9.007 -3.772 1.00 0.65 H new ATOM 0 HG2 LYS A 102 -15.240 9.132 -2.880 1.00 0.63 H new ATOM 0 HG3 LYS A 102 -15.522 9.874 -4.442 1.00 0.63 H new ATOM 0 HD2 LYS A 102 -17.609 10.574 -2.470 1.00 0.90 H new ATOM 0 HD3 LYS A 102 -16.007 11.055 -1.946 1.00 0.90 H new ATOM 0 HE2 LYS A 102 -16.468 12.919 -3.224 1.00 1.93 H new ATOM 0 HE3 LYS A 102 -15.857 11.910 -4.520 1.00 1.93 H new ATOM 0 HZ1 LYS A 102 -17.980 12.887 -5.097 1.00 3.24 H new ATOM 0 HZ2 LYS A 102 -18.124 11.198 -4.997 1.00 3.24 H new ATOM 0 HZ3 LYS A 102 -18.716 12.176 -3.741 1.00 3.24 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.936 1.388 -4.723 1.00 0.74 CU